NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
563334 | 2lui | 18522 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 13 1H GLY 13 6.235 -9.305 13.853 2 H2 GLY 13 2H GLY 13 5.623 -8.967 15.393 3 H3 GLY 13 3H GLY 13 6.072 -10.544 14.993 4 HA2 GLY 13 1HA GLY 13 7.739 -9.533 16.398 5 HA3 GLY 13 2HA GLY 13 8.377 -9.881 14.797 6 H SER 14 H SER 14 9.862 -8.163 15.985 7 HA SER 14 HA SER 14 9.285 -5.646 14.645 8 HB2 SER 14 1HB SER 14 8.395 -5.417 16.974 9 HB3 SER 14 2HB SER 14 10.017 -5.733 17.584 10 HG SER 14 HG SER 14 9.646 -3.509 17.470 11 HA PRO 15 HA PRO 15 13.636 -6.739 14.109 12 HB2 PRO 15 1HB PRO 15 13.923 -5.803 11.623 13 HB3 PRO 15 2HB PRO 15 13.035 -7.296 11.950 14 HG2 PRO 15 1HG PRO 15 11.991 -4.564 11.351 15 HG3 PRO 15 2HG PRO 15 11.378 -6.139 10.823 16 HD2 PRO 15 1HD PRO 15 10.357 -4.645 12.935 17 HD3 PRO 15 2HD PRO 15 10.102 -6.382 12.690 18 H GLY 16 H GLY 16 12.219 -3.846 14.722 19 HA2 GLY 16 1HA GLY 16 13.176 -1.923 15.588 20 HA3 GLY 16 2HA GLY 16 14.759 -2.574 15.189 21 H ILE 17 H ILE 17 11.846 -1.420 13.490 22 HA ILE 17 HA ILE 17 13.415 -0.526 11.253 23 HB ILE 17 HB ILE 17 11.277 0.247 10.333 24 HG12 ILE 17 1HG1 ILE 17 10.322 -0.339 13.115 25 HG13 ILE 17 2HG1 ILE 17 10.054 1.084 12.114 26 HG21 ILE 17 1HG2 ILE 17 11.943 -2.052 10.025 27 HG22 ILE 17 2HG2 ILE 17 10.188 -1.936 10.180 28 HG23 ILE 17 3HG2 ILE 17 11.158 -2.505 11.539 29 HD11 ILE 17 3HD1 ILE 17 8.502 -0.148 10.728 30 HD12 ILE 17 1HD1 ILE 17 8.019 -0.229 12.423 31 HD13 ILE 17 2HD1 ILE 17 8.802 -1.613 11.662 32 HA PRO 18 HA PRO 18 14.479 3.432 12.528 33 HB2 PRO 18 1HB PRO 18 14.006 5.033 10.365 34 HB3 PRO 18 2HB PRO 18 15.345 3.889 10.474 35 HG2 PRO 18 1HG PRO 18 12.714 3.611 9.092 36 HG3 PRO 18 2HG PRO 18 14.317 3.089 8.556 37 HD2 PRO 18 1HD PRO 18 12.494 1.402 9.600 38 HD3 PRO 18 2HD PRO 18 14.231 1.148 9.796 39 H VAL 19 H VAL 19 12.116 4.930 10.440 40 HA VAL 19 HA VAL 19 10.635 5.820 12.791 41 HB VAL 19 HB VAL 19 10.020 7.663 10.935 42 HG11 VAL 19 1HG1 VAL 19 12.433 7.712 12.738 43 HG12 VAL 19 2HG1 VAL 19 10.781 8.093 13.222 44 HG13 VAL 19 3HG1 VAL 19 11.624 9.128 12.069 45 HG21 VAL 19 3HG2 VAL 19 12.084 8.325 9.783 46 HG22 VAL 19 1HG2 VAL 19 11.510 6.741 9.265 47 HG23 VAL 19 2HG2 VAL 19 12.861 6.863 10.387 48 HA PRO 20 HA PRO 20 7.546 3.447 10.432 49 HB2 PRO 20 1HB PRO 20 6.035 2.760 12.548 50 HB3 PRO 20 2HB PRO 20 7.550 1.932 12.170 51 HG2 PRO 20 1HG PRO 20 7.030 4.083 14.182 52 HG3 PRO 20 2HG PRO 20 7.970 2.589 14.361 53 HD2 PRO 20 1HD PRO 20 9.106 5.007 13.877 54 HD3 PRO 20 2HD PRO 20 9.818 3.482 13.324 55 H GLY 21 H GLY 21 5.616 4.084 9.641 56 HA2 GLY 21 1HA GLY 21 3.943 5.941 11.127 57 HA3 GLY 21 2HA GLY 21 4.610 6.555 9.619 58 H LYS 22 H LYS 22 1.950 6.504 9.744 59 HA LYS 22 HA LYS 22 1.279 4.460 7.788 60 HB2 LYS 22 1HB LYS 22 -0.787 3.811 8.968 61 HB3 LYS 22 2HB LYS 22 0.650 3.390 9.887 62 HG2 LYS 22 1HG LYS 22 0.324 5.270 11.355 63 HG3 LYS 22 2HG LYS 22 -1.032 5.838 10.381 64 HD2 LYS 22 1HD LYS 22 -1.872 4.717 12.344 65 HD3 LYS 22 2HD LYS 22 -2.242 3.749 10.918 66 HE2 LYS 22 1HE LYS 22 -0.353 2.293 11.400 67 HE3 LYS 22 2HE LYS 22 0.068 3.281 12.797 68 HZ1 LYS 22 3HZ LYS 22 -1.935 2.656 13.879 69 HZ2 LYS 22 1HZ LYS 22 -1.195 1.238 13.333 70 HZ3 LYS 22 2HZ LYS 22 -2.524 1.874 12.502 71 H VAL 23 H VAL 23 -0.224 5.154 6.291 72 HA VAL 23 HA VAL 23 -1.692 7.612 6.986 73 HB VAL 23 HB VAL 23 -0.004 8.261 5.351 74 HG11 VAL 23 1HG1 VAL 23 -1.144 6.077 3.630 75 HG12 VAL 23 2HG1 VAL 23 0.489 6.165 4.294 76 HG13 VAL 23 3HG1 VAL 23 -0.027 7.322 3.060 77 HG21 VAL 23 3HG2 VAL 23 -2.710 8.054 4.059 78 HG22 VAL 23 1HG2 VAL 23 -1.420 9.163 3.591 79 HG23 VAL 23 2HG2 VAL 23 -2.189 9.318 5.174 80 H THR 24 H THR 24 -3.871 7.563 6.527 81 HA THR 24 HA THR 24 -4.787 4.971 5.514 82 HB THR 24 HB THR 24 -5.347 5.365 7.895 83 HG1 THR 24 HG1 THR 24 -6.753 4.009 6.921 84 HG21 THR 24 3HG2 THR 24 -5.652 7.778 7.871 85 HG22 THR 24 1HG2 THR 24 -7.110 6.984 8.464 86 HG23 THR 24 2HG2 THR 24 -7.054 7.610 6.817 87 H LEU 25 H LEU 25 -6.026 4.872 3.834 88 HA LEU 25 HA LEU 25 -7.231 7.308 2.722 89 HB2 LEU 25 1HB LEU 25 -5.813 5.205 1.101 90 HB3 LEU 25 2HB LEU 25 -6.331 6.796 0.585 91 HG LEU 25 HG LEU 25 -4.260 6.517 2.723 92 HD11 LEU 25 1HD1 LEU 25 -2.532 6.571 1.019 93 HD12 LEU 25 2HD1 LEU 25 -3.759 6.457 -0.243 94 HD13 LEU 25 3HD1 LEU 25 -3.522 5.118 0.882 95 HD21 LEU 25 3HD2 LEU 25 -5.261 8.706 2.316 96 HD22 LEU 25 1HD2 LEU 25 -4.796 8.604 0.617 97 HD23 LEU 25 2HD2 LEU 25 -3.556 8.685 1.869 98 H GLN 26 H GLN 26 -8.192 6.058 0.415 99 HA GLN 26 HA GLN 26 -9.556 3.634 1.279 100 HB2 GLN 26 1HB GLN 26 -10.924 6.118 0.269 101 HB3 GLN 26 2HB GLN 26 -11.666 4.525 0.158 102 HG2 GLN 26 1HG GLN 26 -11.379 4.294 2.607 103 HG3 GLN 26 2HG GLN 26 -10.818 5.954 2.644 104 HE21 GLN 26 2HE2 GLN 26 -13.498 3.844 2.201 105 HE22 GLN 26 1HE2 GLN 26 -14.744 5.048 2.303 106 H LYS 27 H LYS 27 -10.187 2.337 -0.314 107 HA LYS 27 HA LYS 27 -8.485 1.814 -2.371 108 HB2 LYS 27 1HB LYS 27 -11.439 1.162 -2.397 109 HB3 LYS 27 2HB LYS 27 -10.192 0.353 -3.318 110 HG2 LYS 27 1HG LYS 27 -10.038 0.445 -0.344 111 HG3 LYS 27 2HG LYS 27 -11.027 -0.757 -1.176 112 HD2 LYS 27 1HD LYS 27 -8.319 -0.394 -2.207 113 HD3 LYS 27 2HD LYS 27 -8.418 -1.100 -0.613 114 HE2 LYS 27 1HE LYS 27 -9.757 -2.102 -3.110 115 HE3 LYS 27 2HE LYS 27 -8.364 -2.826 -2.309 116 HZ1 LYS 27 3HZ LYS 27 -9.799 -3.171 -0.343 117 HZ2 LYS 27 1HZ LYS 27 -10.312 -4.033 -1.707 118 HZ3 LYS 27 2HZ LYS 27 -11.122 -2.627 -1.248 119 H ASP 28 H ASP 28 -8.537 1.949 -4.579 120 HA ASP 28 HA ASP 28 -9.449 4.493 -5.616 121 HB2 ASP 28 1HB ASP 28 -7.166 3.732 -6.083 122 HB3 ASP 28 2HB ASP 28 -7.781 2.257 -6.809 123 H ALA 29 H ALA 29 -10.364 4.394 -7.961 124 HA ALA 29 HA ALA 29 -12.809 3.071 -8.009 125 HB1 ALA 29 3HB ALA 29 -11.180 4.003 -10.371 126 HB2 ALA 29 1HB ALA 29 -12.280 5.003 -9.420 127 HB3 ALA 29 2HB ALA 29 -12.908 3.656 -10.370 128 H GLN 30 H GLN 30 -9.629 1.907 -8.742 129 HA GLN 30 HA GLN 30 -10.617 -0.372 -10.250 130 HB2 GLN 30 1HB GLN 30 -8.384 1.085 -10.535 131 HB3 GLN 30 2HB GLN 30 -7.823 -0.176 -9.477 132 HG2 GLN 30 1HG GLN 30 -8.398 -1.872 -11.047 133 HG3 GLN 30 2HG GLN 30 -9.193 -0.688 -12.087 134 HE21 GLN 30 2HE2 GLN 30 -6.179 -1.933 -10.956 135 HE22 GLN 30 1HE2 GLN 30 -5.175 -1.097 -12.076 136 H ASN 31 H ASN 31 -10.634 0.319 -7.132 137 HA ASN 31 HA ASN 31 -10.907 -0.948 -5.245 138 HB2 ASN 31 1HB ASN 31 -12.065 -2.541 -6.678 139 HB3 ASN 31 2HB ASN 31 -10.542 -3.250 -7.169 140 HD21 ASN 31 2HD2 ASN 31 -10.875 -5.281 -6.456 141 HD22 ASN 31 1HD2 ASN 31 -11.061 -5.704 -4.792 142 H LEU 32 H LEU 32 -8.331 0.043 -6.109 143 HA LEU 32 HA LEU 32 -6.766 -1.606 -4.279 144 HB2 LEU 32 1HB LEU 32 -4.815 -1.403 -5.945 145 HB3 LEU 32 2HB LEU 32 -6.073 -2.559 -6.272 146 HG LEU 32 HG LEU 32 -7.114 -0.914 -7.843 147 HD11 LEU 32 1HD1 LEU 32 -5.723 0.873 -8.724 148 HD12 LEU 32 2HD1 LEU 32 -4.482 0.515 -7.524 149 HD13 LEU 32 3HD1 LEU 32 -6.057 1.120 -7.011 150 HD21 LEU 32 3HD2 LEU 32 -4.343 -1.934 -8.391 151 HD22 LEU 32 1HD2 LEU 32 -5.453 -1.338 -9.623 152 HD23 LEU 32 2HD2 LEU 32 -5.869 -2.771 -8.682 153 H ILE 33 H ILE 33 -4.291 -0.334 -4.621 154 HA ILE 33 HA ILE 33 -4.970 2.292 -3.538 155 HB ILE 33 HB ILE 33 -2.291 1.826 -3.012 156 HG12 ILE 33 1HG1 ILE 33 -3.868 -0.699 -2.451 157 HG13 ILE 33 2HG1 ILE 33 -2.644 -0.565 -3.715 158 HG21 ILE 33 1HG2 ILE 33 -3.786 2.912 -1.513 159 HG22 ILE 33 2HG2 ILE 33 -3.141 1.493 -0.685 160 HG23 ILE 33 3HG2 ILE 33 -4.775 1.459 -1.356 161 HD11 ILE 33 3HD1 ILE 33 -2.304 -0.520 -0.733 162 HD12 ILE 33 1HD1 ILE 33 -1.062 0.114 -1.813 163 HD13 ILE 33 2HD1 ILE 33 -1.547 -1.573 -1.929 164 H GLY 34 H GLY 34 -3.154 0.658 -6.036 165 HA2 GLY 34 1HA GLY 34 -2.654 1.787 -8.088 166 HA3 GLY 34 2HA GLY 34 -2.558 3.303 -7.203 167 H ILE 35 H ILE 35 -0.965 0.301 -6.226 168 HA ILE 35 HA ILE 35 1.619 1.631 -6.771 169 HB ILE 35 HB ILE 35 2.496 0.602 -4.673 170 HG12 ILE 35 1HG1 ILE 35 0.601 0.200 -2.930 171 HG13 ILE 35 2HG1 ILE 35 -0.401 -0.103 -4.342 172 HG21 ILE 35 1HG2 ILE 35 1.447 2.275 -3.164 173 HG22 ILE 35 2HG2 ILE 35 0.298 2.636 -4.454 174 HG23 ILE 35 3HG2 ILE 35 2.021 2.929 -4.697 175 HD11 ILE 35 3HD1 ILE 35 2.175 -1.548 -3.940 176 HD12 ILE 35 1HD1 ILE 35 0.793 -2.003 -4.939 177 HD13 ILE 35 2HD1 ILE 35 0.683 -2.091 -3.177 178 H SER 36 H SER 36 3.462 0.008 -6.292 179 HA SER 36 HA SER 36 2.774 -2.726 -7.044 180 HB2 SER 36 1HB SER 36 4.854 -0.998 -8.368 181 HB3 SER 36 2HB SER 36 4.877 -2.762 -8.470 182 HG SER 36 HG SER 36 2.477 -2.253 -9.019 183 H ILE 37 H ILE 37 3.728 -4.208 -5.857 184 HA ILE 37 HA ILE 37 5.731 -3.256 -3.909 185 HB ILE 37 HB ILE 37 3.711 -5.468 -3.543 186 HG12 ILE 37 1HG1 ILE 37 2.716 -3.246 -3.368 187 HG13 ILE 37 2HG1 ILE 37 2.764 -4.031 -1.797 188 HG21 ILE 37 1HG2 ILE 37 4.548 -5.608 -1.240 189 HG22 ILE 37 2HG2 ILE 37 5.818 -4.453 -1.647 190 HG23 ILE 37 3HG2 ILE 37 5.783 -6.034 -2.427 191 HD11 ILE 37 3HD1 ILE 37 4.764 -2.709 -1.233 192 HD12 ILE 37 1HD1 ILE 37 3.348 -1.712 -1.573 193 HD13 ILE 37 2HD1 ILE 37 4.620 -1.880 -2.783 194 H GLY 38 H GLY 38 7.646 -4.031 -4.045 195 HA2 GLY 38 1HA GLY 38 8.037 -6.865 -4.737 196 HA3 GLY 38 2HA GLY 38 9.109 -5.623 -5.380 197 H GLY 39 H GLY 39 9.109 -7.941 -3.179 198 HA2 GLY 39 1HA GLY 39 9.801 -6.555 -0.767 199 HA3 GLY 39 2HA GLY 39 9.958 -8.280 -1.059 200 H GLY 40 H GLY 40 11.435 -5.247 -2.190 201 HA2 GLY 40 1HA GLY 40 13.676 -4.643 -2.208 202 HA3 GLY 40 2HA GLY 40 14.074 -6.196 -1.484 203 H ALA 41 H ALA 41 15.339 -4.806 -3.755 204 HA ALA 41 HA ALA 41 14.827 -6.873 -5.797 205 HB1 ALA 41 3HB ALA 41 15.532 -5.299 -7.506 206 HB2 ALA 41 1HB ALA 41 15.825 -4.070 -6.276 207 HB3 ALA 41 2HB ALA 41 14.185 -4.644 -6.575 208 H GLN 42 H GLN 42 17.485 -4.542 -5.327 209 HA GLN 42 HA GLN 42 19.389 -6.613 -5.927 210 HB2 GLN 42 1HB GLN 42 21.085 -4.821 -5.592 211 HB3 GLN 42 2HB GLN 42 19.848 -4.405 -6.769 212 HG2 GLN 42 1HG GLN 42 18.698 -3.085 -5.016 213 HG3 GLN 42 2HG GLN 42 20.045 -3.427 -3.932 214 HE21 GLN 42 2HE2 GLN 42 22.077 -2.542 -4.395 215 HE22 GLN 42 1HE2 GLN 42 22.244 -1.154 -5.411 216 H TYR 43 H TYR 43 19.736 -8.102 -4.472 217 HA TYR 43 HA TYR 43 20.371 -9.164 -2.577 218 HB2 TYR 43 1HB TYR 43 20.867 -6.400 -1.456 219 HB3 TYR 43 2HB TYR 43 21.295 -7.905 -0.651 220 HD1 TYR 43 HD1 TYR 43 23.073 -9.347 -1.600 221 HD2 TYR 43 HD2 TYR 43 22.208 -5.510 -3.217 222 HE1 TYR 43 HE1 TYR 43 25.234 -9.357 -2.769 223 HE2 TYR 43 HE2 TYR 43 24.365 -5.511 -4.390 224 HH TYR 43 HH TYR 43 26.270 -8.304 -4.722 225 H CYS 44 H CYS 44 17.749 -7.443 -3.040 226 HA CYS 44 HA CYS 44 15.647 -7.406 -2.235 227 HB2 CYS 44 1HB CYS 44 16.595 -9.781 -0.620 228 HB3 CYS 44 2HB CYS 44 14.915 -9.327 -0.883 229 HG CYS 44 HG CYS 44 15.025 -9.752 -3.662 230 HA PRO 45 HA PRO 45 17.477 -5.357 1.568 231 HB2 PRO 45 1HB PRO 45 16.448 -2.877 0.340 232 HB3 PRO 45 2HB PRO 45 18.051 -3.222 0.992 233 HG2 PRO 45 1HG PRO 45 17.635 -3.004 -1.637 234 HG3 PRO 45 2HG PRO 45 18.774 -4.198 -0.980 235 HD2 PRO 45 1HD PRO 45 15.955 -4.596 -1.927 236 HD3 PRO 45 2HD PRO 45 17.398 -5.583 -2.249 237 H CYS 46 H CYS 46 14.936 -3.212 0.487 238 HA CYS 46 HA CYS 46 12.901 -4.459 2.108 239 HB2 CYS 46 1HB CYS 46 13.982 -1.708 2.772 240 HB3 CYS 46 2HB CYS 46 12.453 -2.333 3.377 241 HG CYS 46 HG CYS 46 13.905 -2.711 5.550 242 H LEU 47 H LEU 47 12.836 -1.064 1.503 243 HA LEU 47 HA LEU 47 11.467 0.277 0.366 244 HB2 LEU 47 1HB LEU 47 11.414 -0.075 -2.136 245 HB3 LEU 47 2HB LEU 47 12.974 0.161 -1.381 246 HG LEU 47 HG LEU 47 12.307 -2.654 -1.622 247 HD11 LEU 47 1HD1 LEU 47 11.074 -1.918 -3.589 248 HD12 LEU 47 2HD1 LEU 47 12.543 -2.772 -4.062 249 HD13 LEU 47 3HD1 LEU 47 12.480 -1.012 -4.148 250 HD21 LEU 47 3HD2 LEU 47 14.536 -2.707 -2.656 251 HD22 LEU 47 1HD2 LEU 47 14.533 -1.836 -1.122 252 HD23 LEU 47 2HD2 LEU 47 14.570 -0.943 -2.643 253 H TYR 48 H TYR 48 10.600 -2.913 -1.001 254 HA TYR 48 HA TYR 48 8.643 -3.853 -1.481 255 HB2 TYR 48 1HB TYR 48 7.581 -2.012 0.661 256 HB3 TYR 48 2HB TYR 48 6.680 -3.353 -0.056 257 HD1 TYR 48 HD1 TYR 48 9.549 -2.451 2.044 258 HD2 TYR 48 HD2 TYR 48 7.212 -5.641 0.489 259 HE1 TYR 48 HE1 TYR 48 10.676 -4.001 3.555 260 HE2 TYR 48 HE2 TYR 48 8.324 -7.206 2.022 261 HH TYR 48 HH TYR 48 10.201 -6.207 4.635 262 H ILE 49 H ILE 49 7.943 -0.288 -1.212 263 HA ILE 49 HA ILE 49 6.216 -0.723 -3.516 264 HB ILE 49 HB ILE 49 5.568 0.808 -1.592 265 HG12 ILE 49 1HG1 ILE 49 4.706 0.693 -4.098 266 HG13 ILE 49 2HG1 ILE 49 4.085 1.883 -2.968 267 HG21 ILE 49 1HG2 ILE 49 6.283 3.133 -1.737 268 HG22 ILE 49 2HG2 ILE 49 7.394 2.709 -3.040 269 HG23 ILE 49 3HG2 ILE 49 7.649 2.062 -1.417 270 HD11 ILE 49 3HD1 ILE 49 6.223 2.328 -5.039 271 HD12 ILE 49 1HD1 ILE 49 5.650 3.536 -3.888 272 HD13 ILE 49 2HD1 ILE 49 4.555 2.892 -5.113 273 H VAL 50 H VAL 50 6.903 -0.682 -5.466 274 HA VAL 50 HA VAL 50 9.555 0.396 -6.040 275 HB VAL 50 HB VAL 50 7.776 -1.317 -7.788 276 HG11 VAL 50 1HG1 VAL 50 9.435 -0.062 -9.057 277 HG12 VAL 50 2HG1 VAL 50 9.827 -1.781 -9.043 278 HG13 VAL 50 3HG1 VAL 50 10.714 -0.666 -8.004 279 HG21 VAL 50 3HG2 VAL 50 8.357 -2.491 -5.737 280 HG22 VAL 50 1HG2 VAL 50 10.062 -2.121 -5.991 281 HG23 VAL 50 2HG2 VAL 50 9.214 -3.186 -7.112 282 H GLN 51 H GLN 51 6.193 0.944 -6.818 283 HA GLN 51 HA GLN 51 6.801 3.397 -8.137 284 HB2 GLN 51 1HB GLN 51 6.422 2.917 -10.328 285 HB3 GLN 51 2HB GLN 51 6.995 1.328 -9.849 286 HG2 GLN 51 1HG GLN 51 4.665 0.623 -9.518 287 HG3 GLN 51 2HG GLN 51 4.127 2.194 -10.080 288 HE21 GLN 51 2HE2 GLN 51 3.680 -0.505 -11.145 289 HE22 GLN 51 1HE2 GLN 51 4.202 -0.432 -12.790 290 H VAL 52 H VAL 52 4.944 4.598 -8.611 291 HA VAL 52 HA VAL 52 2.379 3.579 -7.695 292 HB VAL 52 HB VAL 52 3.556 4.641 -5.732 293 HG11 VAL 52 1HG1 VAL 52 3.456 7.159 -5.681 294 HG12 VAL 52 2HG1 VAL 52 3.258 7.092 -7.435 295 HG13 VAL 52 3HG1 VAL 52 4.723 6.445 -6.688 296 HG21 VAL 52 3HG2 VAL 52 1.587 5.958 -5.015 297 HG22 VAL 52 1HG2 VAL 52 1.181 4.374 -5.678 298 HG23 VAL 52 2HG2 VAL 52 0.953 5.820 -6.657 299 H PHE 53 H PHE 53 0.606 5.042 -8.307 300 HA PHE 53 HA PHE 53 1.311 6.776 -10.550 301 HB2 PHE 53 1HB PHE 53 -1.196 5.157 -10.084 302 HB3 PHE 53 2HB PHE 53 -1.036 6.360 -11.353 303 HD1 PHE 53 HD2 PHE 53 0.248 3.112 -10.132 304 HD2 PHE 53 HD1 PHE 53 0.068 5.866 -13.374 305 HE1 PHE 53 HE2 PHE 53 1.226 1.413 -11.626 306 HE2 PHE 53 HE1 PHE 53 1.043 4.173 -14.870 307 HZ PHE 53 HZ PHE 53 1.622 1.946 -13.996 308 H ASP 54 H ASP 54 0.766 8.782 -10.387 309 HA ASP 54 HA ASP 54 0.709 9.909 -7.865 310 HB2 ASP 54 1HB ASP 54 1.629 10.969 -9.921 311 HB3 ASP 54 2HB ASP 54 -0.021 11.335 -10.419 312 H ASN 55 H ASN 55 -2.014 9.105 -9.804 313 HA ASN 55 HA ASN 55 -3.735 10.955 -8.335 314 HB2 ASN 55 1HB ASN 55 -4.244 9.450 -10.910 315 HB3 ASN 55 2HB ASN 55 -5.403 10.494 -10.106 316 HD21 ASN 55 2HD2 ASN 55 -3.510 12.503 -9.324 317 HD22 ASN 55 1HD2 ASN 55 -3.070 13.333 -10.763 318 H THR 56 H THR 56 -2.643 8.015 -7.937 319 HA THR 56 HA THR 56 -5.151 6.682 -7.312 320 HB THR 56 HB THR 56 -3.803 4.786 -6.702 321 HG1 THR 56 HG1 THR 56 -1.436 6.312 -7.089 322 HG21 THR 56 3HG2 THR 56 -2.523 6.163 -9.063 323 HG22 THR 56 1HG2 THR 56 -4.014 5.218 -9.115 324 HG23 THR 56 2HG2 THR 56 -2.485 4.431 -8.725 325 HA PRO 57 HA PRO 57 -5.453 8.170 -3.192 326 HB2 PRO 57 1HB PRO 57 -5.638 5.783 -1.731 327 HB3 PRO 57 2HB PRO 57 -6.987 6.666 -2.437 328 HG2 PRO 57 1HG PRO 57 -5.549 4.275 -3.467 329 HG3 PRO 57 2HG PRO 57 -7.264 4.701 -3.602 330 HD2 PRO 57 1HD PRO 57 -5.566 4.961 -5.672 331 HD3 PRO 57 2HD PRO 57 -6.904 6.098 -5.407 332 H ALA 58 H ALA 58 -3.418 5.350 -3.622 333 HA ALA 58 HA ALA 58 -1.736 5.550 -1.426 334 HB1 ALA 58 3HB ALA 58 -0.178 4.216 -2.697 335 HB2 ALA 58 1HB ALA 58 -1.011 4.634 -4.194 336 HB3 ALA 58 2HB ALA 58 -1.824 3.651 -2.977 337 H ALA 59 H ALA 59 -1.281 6.940 -4.695 338 HA ALA 59 HA ALA 59 1.123 8.291 -3.849 339 HB1 ALA 59 3HB ALA 59 -0.550 8.578 -6.336 340 HB2 ALA 59 1HB ALA 59 0.935 7.646 -6.142 341 HB3 ALA 59 2HB ALA 59 0.987 9.403 -6.048 342 H LEU 60 H LEU 60 -2.123 9.354 -4.824 343 HA LEU 60 HA LEU 60 -1.680 12.048 -4.641 344 HB2 LEU 60 1HB LEU 60 -3.857 12.391 -4.894 345 HB3 LEU 60 2HB LEU 60 -3.578 10.875 -5.688 346 HG LEU 60 HG LEU 60 -4.541 10.044 -3.309 347 HD11 LEU 60 1HD1 LEU 60 -4.757 12.539 -2.798 348 HD12 LEU 60 2HD1 LEU 60 -6.176 11.520 -2.499 349 HD13 LEU 60 3HD1 LEU 60 -6.098 12.529 -3.948 350 HD21 LEU 60 3HD2 LEU 60 -6.650 9.776 -4.494 351 HD22 LEU 60 1HD2 LEU 60 -5.287 9.420 -5.555 352 HD23 LEU 60 2HD2 LEU 60 -6.131 10.961 -5.695 353 H ASP 61 H ASP 61 -3.695 10.565 -2.138 354 HA ASP 61 HA ASP 61 -2.900 12.745 -0.357 355 HB2 ASP 61 1HB ASP 61 -5.326 12.158 -0.672 356 HB3 ASP 61 2HB ASP 61 -4.996 10.594 0.061 357 H GLY 62 H GLY 62 -2.016 9.800 -1.261 358 HA2 GLY 62 1HA GLY 62 -1.634 8.575 1.374 359 HA3 GLY 62 2HA GLY 62 -1.216 7.860 -0.171 360 H THR 63 H THR 63 0.501 9.515 -1.237 361 HA THR 63 HA THR 63 2.641 10.119 -1.403 362 HB THR 63 HB THR 63 3.744 11.343 0.330 363 HG1 THR 63 HG1 THR 63 1.832 10.112 2.026 364 HG21 THR 63 3HG2 THR 63 1.930 12.960 0.893 365 HG22 THR 63 1HG2 THR 63 0.781 11.793 0.235 366 HG23 THR 63 2HG2 THR 63 2.007 12.508 -0.812 367 H VAL 64 H VAL 64 1.736 7.464 -0.544 368 HA VAL 64 HA VAL 64 4.232 6.343 0.470 369 HB VAL 64 HB VAL 64 3.066 4.126 0.242 370 HG11 VAL 64 1HG1 VAL 64 2.014 4.442 2.327 371 HG12 VAL 64 2HG1 VAL 64 1.681 6.141 1.963 372 HG13 VAL 64 3HG1 VAL 64 3.339 5.611 2.236 373 HG21 VAL 64 3HG2 VAL 64 0.640 4.129 0.080 374 HG22 VAL 64 1HG2 VAL 64 1.342 4.820 -1.383 375 HG23 VAL 64 2HG2 VAL 64 0.637 5.877 -0.158 376 H ALA 65 H ALA 65 4.902 7.534 -1.490 377 HA ALA 65 HA ALA 65 4.425 6.218 -4.030 378 HB1 ALA 65 3HB ALA 65 4.361 8.648 -3.920 379 HB2 ALA 65 1HB ALA 65 5.628 8.093 -5.013 380 HB3 ALA 65 2HB ALA 65 6.047 8.678 -3.402 381 H ALA 66 H ALA 66 6.566 6.365 -5.489 382 HA ALA 66 HA ALA 66 7.950 4.054 -4.864 383 HB1 ALA 66 3HB ALA 66 9.274 4.487 -6.786 384 HB2 ALA 66 1HB ALA 66 8.969 6.223 -6.680 385 HB3 ALA 66 2HB ALA 66 7.659 5.126 -7.112 386 H GLY 67 H GLY 67 9.520 3.612 -3.474 387 HA2 GLY 67 1HA GLY 67 11.784 4.027 -2.728 388 HA3 GLY 67 2HA GLY 67 11.439 5.748 -2.800 389 H ASP 68 H ASP 68 8.748 4.344 -1.537 390 HA ASP 68 HA ASP 68 9.618 4.930 1.204 391 HB2 ASP 68 1HB ASP 68 7.622 6.102 0.333 392 HB3 ASP 68 2HB ASP 68 6.825 4.563 0.087 393 H GLU 69 H GLU 69 9.003 3.446 2.921 394 HA GLU 69 HA GLU 69 9.264 0.687 1.927 395 HB2 GLU 69 1HB GLU 69 11.076 1.558 3.410 396 HB3 GLU 69 2HB GLU 69 9.891 1.721 4.699 397 HG2 GLU 69 1HG GLU 69 9.461 -0.711 4.553 398 HG3 GLU 69 2HG GLU 69 10.747 -0.833 3.357 399 H ILE 70 H ILE 70 6.984 0.527 1.541 400 HA ILE 70 HA ILE 70 5.159 0.623 3.741 401 HB ILE 70 HB ILE 70 4.888 -0.462 0.938 402 HG12 ILE 70 1HG1 ILE 70 3.139 1.347 0.827 403 HG13 ILE 70 2HG1 ILE 70 3.648 1.858 2.431 404 HG21 ILE 70 1HG2 ILE 70 2.518 -0.889 1.413 405 HG22 ILE 70 2HG2 ILE 70 2.797 -0.510 3.112 406 HG23 ILE 70 3HG2 ILE 70 3.575 -1.915 2.384 407 HD11 ILE 70 3HD1 ILE 70 4.663 3.292 0.837 408 HD12 ILE 70 1HD1 ILE 70 5.263 1.924 -0.096 409 HD13 ILE 70 2HD1 ILE 70 5.918 2.254 1.504 410 H THR 71 H THR 71 5.504 -0.675 5.360 411 HA THR 71 HA THR 71 6.567 -3.355 4.875 412 HB THR 71 HB THR 71 7.916 -1.972 6.323 413 HG1 THR 71 HG1 THR 71 8.249 -3.521 7.753 414 HG21 THR 71 3HG2 THR 71 5.435 -1.695 8.014 415 HG22 THR 71 1HG2 THR 71 6.269 -0.413 7.134 416 HG23 THR 71 2HG2 THR 71 7.051 -1.190 8.509 417 H GLY 72 H GLY 72 3.654 -1.784 5.792 418 HA2 GLY 72 1HA GLY 72 2.522 -4.406 6.393 419 HA3 GLY 72 2HA GLY 72 2.363 -3.176 7.632 420 H VAL 73 H VAL 73 0.360 -4.634 6.077 421 HA VAL 73 HA VAL 73 -0.969 -2.429 4.706 422 HB VAL 73 HB VAL 73 -1.007 -4.119 3.128 423 HG11 VAL 73 1HG1 VAL 73 -1.257 -6.181 5.321 424 HG12 VAL 73 2HG1 VAL 73 0.261 -5.715 4.555 425 HG13 VAL 73 3HG1 VAL 73 -1.003 -6.497 3.604 426 HG21 VAL 73 3HG2 VAL 73 -3.134 -5.368 3.276 427 HG22 VAL 73 1HG2 VAL 73 -3.315 -3.648 3.635 428 HG23 VAL 73 2HG2 VAL 73 -3.275 -4.825 4.951 429 H ASN 74 H ASN 74 -2.372 -1.431 5.985 430 HA ASN 74 HA ASN 74 -3.945 -1.006 7.568 431 HB2 ASN 74 1HB ASN 74 -5.047 -2.638 5.823 432 HB3 ASN 74 2HB ASN 74 -5.056 -3.757 7.181 433 HD21 ASN 74 2HD2 ASN 74 -7.275 -2.526 5.750 434 HD22 ASN 74 1HD2 ASN 74 -8.201 -1.651 6.923 435 H GLY 75 H GLY 75 -1.505 -2.068 8.566 436 HA2 GLY 75 1HA GLY 75 -1.025 -2.147 10.894 437 HA3 GLY 75 2HA GLY 75 -2.541 -2.990 11.149 438 H ARG 76 H ARG 76 -1.812 -4.839 8.790 439 HA ARG 76 HA ARG 76 -0.054 -6.530 10.369 440 HB2 ARG 76 1HB ARG 76 -1.065 -8.219 8.653 441 HB3 ARG 76 2HB ARG 76 -1.956 -7.739 10.074 442 HG2 ARG 76 1HG ARG 76 -3.152 -6.084 8.670 443 HG3 ARG 76 2HG ARG 76 -2.323 -6.752 7.263 444 HD2 ARG 76 1HD ARG 76 -3.312 -8.921 7.666 445 HD3 ARG 76 2HD ARG 76 -4.070 -8.335 9.142 446 HE ARG 76 HE ARG 76 -5.146 -6.688 7.370 447 HH11 ARG 76 1HH1 ARG 76 -4.638 -10.146 7.175 448 HH12 ARG 76 2HH1 ARG 76 -6.040 -10.427 6.192 449 HH21 ARG 76 1HH2 ARG 76 -6.997 -7.057 6.075 450 HH22 ARG 76 2HH2 ARG 76 -7.384 -8.674 5.553 451 H SER 77 H SER 77 1.887 -7.098 9.640 452 HA SER 77 HA SER 77 3.105 -5.781 7.486 453 HB2 SER 77 1HB SER 77 3.987 -8.286 8.934 454 HB3 SER 77 2HB SER 77 5.016 -7.254 7.942 455 HG SER 77 HG SER 77 3.709 -5.790 9.796 456 H ILE 78 H ILE 78 3.836 -6.524 5.458 457 HA ILE 78 HA ILE 78 2.214 -8.680 4.346 458 HB ILE 78 HB ILE 78 2.892 -8.067 2.180 459 HG12 ILE 78 1HG1 ILE 78 5.301 -7.629 2.694 460 HG13 ILE 78 2HG1 ILE 78 4.580 -6.477 1.581 461 HG21 ILE 78 1HG2 ILE 78 2.241 -5.682 2.038 462 HG22 ILE 78 2HG2 ILE 78 2.368 -5.584 3.796 463 HG23 ILE 78 3HG2 ILE 78 1.177 -6.653 3.053 464 HD11 ILE 78 3HD1 ILE 78 6.017 -5.333 3.117 465 HD12 ILE 78 1HD1 ILE 78 5.172 -6.037 4.496 466 HD13 ILE 78 2HD1 ILE 78 4.344 -4.885 3.449 467 H LYS 79 H LYS 79 5.388 -7.958 5.381 468 HA LYS 79 HA LYS 79 6.766 -9.983 3.929 469 HB2 LYS 79 1HB LYS 79 7.780 -7.880 4.881 470 HB3 LYS 79 2HB LYS 79 7.606 -8.593 6.476 471 HG2 LYS 79 1HG LYS 79 9.874 -8.849 5.657 472 HG3 LYS 79 2HG LYS 79 9.095 -10.425 5.805 473 HD2 LYS 79 1HD LYS 79 8.764 -10.582 3.459 474 HD3 LYS 79 2HD LYS 79 9.192 -8.888 3.219 475 HE2 LYS 79 1HE LYS 79 11.071 -11.029 4.206 476 HE3 LYS 79 2HE LYS 79 10.984 -10.452 2.543 477 HZ1 LYS 79 3HZ LYS 79 11.538 -8.215 3.384 478 HZ2 LYS 79 1HZ LYS 79 12.764 -9.346 3.668 479 HZ3 LYS 79 2HZ LYS 79 11.750 -8.862 4.930 480 H GLY 80 H GLY 80 5.599 -11.844 4.271 481 HA2 GLY 80 1HA GLY 80 6.252 -13.584 6.266 482 HA3 GLY 80 2HA GLY 80 4.863 -12.712 6.898 483 H LYS 81 H LYS 81 3.760 -12.398 4.083 484 HA LYS 81 HA LYS 81 2.904 -15.209 3.852 485 HB2 LYS 81 1HB LYS 81 0.818 -14.307 2.719 486 HB3 LYS 81 2HB LYS 81 0.954 -14.076 4.452 487 HG2 LYS 81 1HG LYS 81 1.758 -11.925 2.533 488 HG3 LYS 81 2HG LYS 81 0.076 -12.151 3.009 489 HD2 LYS 81 1HD LYS 81 2.337 -11.755 4.963 490 HD3 LYS 81 2HD LYS 81 1.334 -10.452 4.335 491 HE2 LYS 81 1HE LYS 81 -0.639 -11.445 5.308 492 HE3 LYS 81 2HE LYS 81 0.285 -12.852 5.827 493 HZ1 LYS 81 3HZ LYS 81 -0.160 -11.176 7.595 494 HZ2 LYS 81 1HZ LYS 81 0.845 -10.095 6.768 495 HZ3 LYS 81 2HZ LYS 81 1.476 -11.538 7.382 496 H THR 82 H THR 82 1.771 -13.300 1.259 497 HA THR 82 HA THR 82 4.039 -14.009 -0.415 498 HB THR 82 HB THR 82 1.355 -15.177 -1.134 499 HG1 THR 82 HG1 THR 82 1.748 -16.520 0.474 500 HG21 THR 82 3HG2 THR 82 2.959 -14.874 -2.962 501 HG22 THR 82 1HG2 THR 82 2.686 -16.584 -2.628 502 HG23 THR 82 2HG2 THR 82 4.161 -15.799 -2.062 503 H LYS 83 H LYS 83 4.012 -12.989 -2.456 504 HA LYS 83 HA LYS 83 3.068 -10.440 -2.610 505 HB2 LYS 83 1HB LYS 83 3.135 -11.730 -5.244 506 HB3 LYS 83 2HB LYS 83 4.066 -10.372 -4.635 507 HG2 LYS 83 1HG LYS 83 5.395 -12.092 -3.354 508 HG3 LYS 83 2HG LYS 83 4.623 -13.289 -4.384 509 HD2 LYS 83 1HD LYS 83 5.486 -12.197 -6.361 510 HD3 LYS 83 2HD LYS 83 6.201 -10.921 -5.371 511 HE2 LYS 83 1HE LYS 83 7.574 -12.619 -4.243 512 HE3 LYS 83 2HE LYS 83 6.904 -13.840 -5.321 513 HZ1 LYS 83 3HZ LYS 83 9.049 -13.078 -6.104 514 HZ2 LYS 83 1HZ LYS 83 8.498 -11.481 -6.155 515 HZ3 LYS 83 2HZ LYS 83 7.842 -12.638 -7.198 516 H VAL 84 H VAL 84 1.598 -13.200 -4.291 517 HA VAL 84 HA VAL 84 -0.575 -11.863 -5.342 518 HB VAL 84 HB VAL 84 0.059 -14.033 -6.138 519 HG11 VAL 84 1HG1 VAL 84 -0.252 -16.066 -4.820 520 HG12 VAL 84 2HG1 VAL 84 -0.737 -15.093 -3.433 521 HG13 VAL 84 3HG1 VAL 84 0.906 -14.976 -4.059 522 HG21 VAL 84 3HG2 VAL 84 -2.256 -13.422 -6.395 523 HG22 VAL 84 1HG2 VAL 84 -2.631 -14.125 -4.824 524 HG23 VAL 84 2HG2 VAL 84 -2.099 -15.161 -6.147 525 H GLU 85 H GLU 85 -0.146 -13.326 -2.181 526 HA GLU 85 HA GLU 85 -2.874 -13.147 -1.407 527 HB2 GLU 85 1HB GLU 85 -0.387 -13.513 0.258 528 HB3 GLU 85 2HB GLU 85 -2.034 -13.731 0.834 529 HG2 GLU 85 1HG GLU 85 -2.305 -15.478 -0.941 530 HG3 GLU 85 2HG GLU 85 -0.575 -15.352 -1.224 531 H VAL 86 H VAL 86 -0.054 -11.060 -0.961 532 HA VAL 86 HA VAL 86 -1.242 -9.462 1.057 533 HB VAL 86 HB VAL 86 0.537 -7.866 0.676 534 HG11 VAL 86 1HG1 VAL 86 2.484 -9.411 0.983 535 HG12 VAL 86 2HG1 VAL 86 1.403 -10.749 0.608 536 HG13 VAL 86 3HG1 VAL 86 1.110 -9.748 2.035 537 HG21 VAL 86 3HG2 VAL 86 0.647 -7.910 -1.749 538 HG22 VAL 86 1HG2 VAL 86 1.318 -9.540 -1.686 539 HG23 VAL 86 2HG2 VAL 86 2.234 -8.183 -1.028 540 H ALA 87 H ALA 87 -0.914 -9.002 -2.434 541 HA ALA 87 HA ALA 87 -2.403 -6.670 -2.766 542 HB1 ALA 87 3HB ALA 87 -2.363 -9.109 -4.546 543 HB2 ALA 87 1HB ALA 87 -1.224 -7.764 -4.601 544 HB3 ALA 87 2HB ALA 87 -2.919 -7.503 -5.013 545 H LYS 88 H LYS 88 -3.491 -10.029 -2.426 546 HA LYS 88 HA LYS 88 -6.247 -9.596 -2.707 547 HB2 LYS 88 1HB LYS 88 -5.371 -11.822 -2.747 548 HB3 LYS 88 2HB LYS 88 -4.763 -11.665 -1.108 549 HG2 LYS 88 1HG LYS 88 -6.951 -11.615 -0.220 550 HG3 LYS 88 2HG LYS 88 -7.671 -11.475 -1.825 551 HD2 LYS 88 1HD LYS 88 -6.800 -13.666 -2.413 552 HD3 LYS 88 2HD LYS 88 -6.092 -13.834 -0.807 553 HE2 LYS 88 1HE LYS 88 -9.035 -13.528 -1.403 554 HE3 LYS 88 2HE LYS 88 -8.226 -15.046 -1.023 555 HZ1 LYS 88 3HZ LYS 88 -8.395 -12.693 0.778 556 HZ2 LYS 88 1HZ LYS 88 -7.646 -14.164 1.144 557 HZ3 LYS 88 2HZ LYS 88 -9.321 -14.101 0.916 558 H MET 89 H MET 89 -4.189 -9.612 0.184 559 HA MET 89 HA MET 89 -6.085 -9.154 2.146 560 HB2 MET 89 1HB MET 89 -3.317 -7.997 1.999 561 HB3 MET 89 2HB MET 89 -4.283 -8.128 3.456 562 HG2 MET 89 1HG MET 89 -4.162 -10.507 3.398 563 HG3 MET 89 2HG MET 89 -3.404 -10.485 1.810 564 HE1 MET 89 3HE MET 89 -2.994 -9.697 5.613 565 HE2 MET 89 1HE MET 89 -2.647 -8.128 4.885 566 HE3 MET 89 2HE MET 89 -1.360 -9.034 5.682 567 H ILE 90 H ILE 90 -4.567 -6.916 -0.056 568 HA ILE 90 HA ILE 90 -5.668 -4.569 1.161 569 HB ILE 90 HB ILE 90 -4.201 -5.042 -1.434 570 HG12 ILE 90 1HG1 ILE 90 -3.362 -3.597 1.083 571 HG13 ILE 90 2HG1 ILE 90 -3.043 -5.303 0.797 572 HG21 ILE 90 1HG2 ILE 90 -5.055 -2.401 -0.250 573 HG22 ILE 90 2HG2 ILE 90 -5.698 -3.128 -1.722 574 HG23 ILE 90 3HG2 ILE 90 -4.012 -2.619 -1.656 575 HD11 ILE 90 3HD1 ILE 90 -1.120 -3.862 0.319 576 HD12 ILE 90 1HD1 ILE 90 -2.061 -3.055 -0.931 577 HD13 ILE 90 2HD1 ILE 90 -1.663 -4.765 -1.095 578 H GLN 91 H GLN 91 -6.471 -6.551 -1.684 579 HA GLN 91 HA GLN 91 -8.698 -4.979 -2.466 580 HB2 GLN 91 1HB GLN 91 -7.886 -7.827 -3.013 581 HB3 GLN 91 2HB GLN 91 -9.355 -7.126 -3.663 582 HG2 GLN 91 1HG GLN 91 -8.118 -5.491 -4.885 583 HG3 GLN 91 2HG GLN 91 -6.619 -5.994 -4.121 584 HE21 GLN 91 2HE2 GLN 91 -9.008 -6.744 -6.514 585 HE22 GLN 91 1HE2 GLN 91 -8.126 -8.007 -7.296 586 H GLU 92 H GLU 92 -8.188 -7.468 -0.114 587 HA GLU 92 HA GLU 92 -10.810 -8.389 0.257 588 HB2 GLU 92 1HB GLU 92 -9.080 -9.693 1.141 589 HB3 GLU 92 2HB GLU 92 -8.319 -8.344 1.941 590 HG2 GLU 92 1HG GLU 92 -10.162 -8.265 3.549 591 HG3 GLU 92 2HG GLU 92 -10.917 -9.633 2.734 592 H VAL 93 H VAL 93 -8.942 -5.955 1.998 593 HA VAL 93 HA VAL 93 -11.138 -5.057 3.559 594 HB VAL 93 HB VAL 93 -9.727 -3.243 4.293 595 HG11 VAL 93 1HG1 VAL 93 -9.266 -5.426 5.218 596 HG12 VAL 93 2HG1 VAL 93 -7.755 -4.531 5.038 597 HG13 VAL 93 3HG1 VAL 93 -8.178 -5.797 3.876 598 HG21 VAL 93 3HG2 VAL 93 -7.822 -4.005 2.072 599 HG22 VAL 93 1HG2 VAL 93 -7.498 -2.828 3.347 600 HG23 VAL 93 2HG2 VAL 93 -8.772 -2.517 2.164 601 H LYS 94 H LYS 94 -12.812 -4.798 2.101 602 HA LYS 94 HA LYS 94 -12.606 -3.296 -0.282 603 HB2 LYS 94 1HB LYS 94 -14.272 -5.078 0.065 604 HB3 LYS 94 2HB LYS 94 -15.077 -4.083 1.270 605 HG2 LYS 94 1HG LYS 94 -15.587 -2.415 -0.438 606 HG3 LYS 94 2HG LYS 94 -14.771 -3.406 -1.647 607 HD2 LYS 94 1HD LYS 94 -16.380 -5.207 -1.262 608 HD3 LYS 94 2HD LYS 94 -17.195 -4.221 -0.046 609 HE2 LYS 94 1HE LYS 94 -16.898 -3.526 -2.966 610 HE3 LYS 94 2HE LYS 94 -18.356 -4.161 -2.208 611 HZ1 LYS 94 3HZ LYS 94 -18.443 -1.760 -2.476 612 HZ2 LYS 94 1HZ LYS 94 -17.053 -1.583 -1.533 613 HZ3 LYS 94 2HZ LYS 94 -18.473 -2.186 -0.839 614 H GLY 95 H GLY 95 -12.458 -1.153 -0.502 615 HA2 GLY 95 1HA GLY 95 -13.651 0.899 -0.482 616 HA3 GLY 95 2HA GLY 95 -14.391 0.412 1.032 617 H GLU 96 H GLU 96 -11.536 -0.391 1.906 618 HA GLU 96 HA GLU 96 -10.794 2.336 2.660 619 HB2 GLU 96 1HB GLU 96 -10.460 1.673 4.905 620 HB3 GLU 96 2HB GLU 96 -12.022 1.013 4.447 621 HG2 GLU 96 1HG GLU 96 -11.086 -1.141 4.108 622 HG3 GLU 96 2HG GLU 96 -9.467 -0.544 4.354 623 H VAL 97 H VAL 97 -8.595 2.278 3.679 624 HA VAL 97 HA VAL 97 -6.671 0.471 2.599 625 HB VAL 97 HB VAL 97 -7.251 3.159 1.422 626 HG11 VAL 97 1HG1 VAL 97 -5.026 3.285 0.492 627 HG12 VAL 97 2HG1 VAL 97 -4.549 1.864 1.422 628 HG13 VAL 97 3HG1 VAL 97 -5.003 3.353 2.254 629 HG21 VAL 97 3HG2 VAL 97 -7.985 1.098 0.341 630 HG22 VAL 97 1HG2 VAL 97 -6.305 0.578 0.210 631 HG23 VAL 97 2HG2 VAL 97 -6.852 2.018 -0.655 632 H THR 98 H THR 98 -5.099 0.380 4.142 633 HA THR 98 HA THR 98 -4.125 2.907 5.229 634 HB THR 98 HB THR 98 -4.787 0.520 6.963 635 HG1 THR 98 HG1 THR 98 -6.513 2.014 6.363 636 HG21 THR 98 3HG2 THR 98 -2.675 1.559 7.655 637 HG22 THR 98 1HG2 THR 98 -3.951 1.868 8.830 638 HG23 THR 98 2HG2 THR 98 -3.466 3.135 7.704 639 H ILE 99 H ILE 99 -1.961 3.024 5.275 640 HA ILE 99 HA ILE 99 -0.475 0.552 4.674 641 HB ILE 99 HB ILE 99 1.207 2.360 3.677 642 HG12 ILE 99 1HG1 ILE 99 -0.446 4.228 4.136 643 HG13 ILE 99 2HG1 ILE 99 0.195 4.139 2.503 644 HG21 ILE 99 1HG2 ILE 99 0.398 1.787 1.452 645 HG22 ILE 99 2HG2 ILE 99 -1.101 1.174 2.155 646 HG23 ILE 99 3HG2 ILE 99 0.434 0.384 2.523 647 HD11 ILE 99 3HD1 ILE 99 -2.511 3.220 3.408 648 HD12 ILE 99 1HD1 ILE 99 -1.883 3.071 1.766 649 HD13 ILE 99 2HD1 ILE 99 -2.144 4.666 2.473 650 H HIS 100 H HIS 100 1.170 0.058 5.955 651 HA HIS 100 HA HIS 100 2.143 2.082 7.853 652 HB2 HIS 100 1HB HIS 100 1.447 -0.354 8.532 653 HB3 HIS 100 2HB HIS 100 2.999 -0.788 7.835 654 HD1 HIS 100 HD1 HIS 100 4.534 -1.216 9.732 655 HD2 HIS 100 HD2 HIS 100 2.184 2.154 10.349 656 HE1 HIS 100 HE1 HIS 100 5.360 -0.199 11.875 657 HE2 HIS 100 HE2 HIS 100 3.807 1.737 12.311 658 H TYR 101 H TYR 101 4.134 2.916 7.619 659 HA TYR 101 HA TYR 101 5.923 1.720 5.638 660 HB2 TYR 101 1HB TYR 101 6.327 3.971 4.640 661 HB3 TYR 101 2HB TYR 101 4.706 3.349 4.359 662 HD1 TYR 101 HD1 TYR 101 6.655 5.715 6.455 663 HD2 TYR 101 HD2 TYR 101 2.815 4.579 5.020 664 HE1 TYR 101 HE1 TYR 101 5.713 7.800 7.349 665 HE2 TYR 101 HE2 TYR 101 1.862 6.661 5.913 666 HH TYR 101 HH TYR 101 3.718 9.275 6.855 667 H ASN 102 H ASN 102 8.059 2.841 5.605 668 HA ASN 102 HA ASN 102 8.897 3.953 8.170 669 HB2 ASN 102 1HB ASN 102 10.276 1.531 6.956 670 HB3 ASN 102 2HB ASN 102 10.728 2.359 8.443 671 HD21 ASN 102 2HD2 ASN 102 9.970 -0.428 7.761 672 HD22 ASN 102 1HD2 ASN 102 8.729 -0.824 8.905 673 H LYS 103 H LYS 103 11.450 4.418 7.840 674 HA LYS 103 HA LYS 103 12.003 5.189 5.117 675 HB2 LYS 103 1HB LYS 103 11.062 7.119 7.136 676 HB3 LYS 103 2HB LYS 103 12.538 7.586 6.305 677 HG2 LYS 103 1HG LYS 103 10.955 8.511 4.929 678 HG3 LYS 103 2HG LYS 103 11.195 6.939 4.176 679 HD2 LYS 103 1HD LYS 103 9.216 6.077 5.235 680 HD3 LYS 103 2HD LYS 103 9.003 7.585 6.131 681 HE2 LYS 103 1HE LYS 103 8.658 8.793 4.091 682 HE3 LYS 103 2HE LYS 103 9.024 7.375 3.135 683 HZ1 LYS 103 3HZ LYS 103 7.048 6.325 3.922 684 HZ2 LYS 103 1HZ LYS 103 6.636 7.859 3.333 685 HZ3 LYS 103 2HZ LYS 103 6.734 7.601 4.998 686 H LEU 104 H LEU 104 13.907 4.215 5.045 687 HA LEU 104 HA LEU 104 15.555 4.304 7.442 688 HB2 LEU 104 1HB LEU 104 14.836 2.174 6.074 689 HB3 LEU 104 2HB LEU 104 16.219 2.611 5.090 690 HG LEU 104 HG LEU 104 17.620 1.677 6.554 691 HD11 LEU 104 1HD1 LEU 104 17.499 3.820 7.820 692 HD12 LEU 104 2HD1 LEU 104 17.819 2.411 8.840 693 HD13 LEU 104 3HD1 LEU 104 16.200 3.118 8.797 694 HD21 LEU 104 3HD2 LEU 104 15.047 1.020 7.958 695 HD22 LEU 104 1HD2 LEU 104 16.611 0.310 8.372 696 HD23 LEU 104 2HD2 LEU 104 15.912 0.032 6.778 697 H GLN 105 H GLN 105 17.262 5.523 7.573 698 HA GLN 105 HA GLN 105 18.248 6.860 5.266 699 HB2 GLN 105 1HB GLN 105 19.259 6.904 8.106 700 HB3 GLN 105 2HB GLN 105 19.862 7.937 6.820 701 HG2 GLN 105 1HG GLN 105 18.378 9.225 8.143 702 HG3 GLN 105 2HG GLN 105 17.571 8.898 6.613 703 HE21 GLN 105 2HE2 GLN 105 15.547 9.266 7.512 704 HE22 GLN 105 1HE2 GLN 105 14.799 8.136 8.589 705 H ALA 106 H ALA 106 18.966 4.098 7.031 706 HA ALA 106 HA ALA 106 20.521 2.447 6.885 707 HB1 ALA 106 3HB ALA 106 19.504 2.302 4.658 708 HB2 ALA 106 1HB ALA 106 21.208 1.853 4.624 709 HB3 ALA 106 2HB ALA 106 20.703 3.438 4.039 710 H ASP 107 H ASP 107 22.840 2.323 5.214 711 HA ASP 107 HA ASP 107 24.451 4.617 6.111 712 HB2 ASP 107 1HB ASP 107 25.240 1.685 6.218 713 HB3 ASP 107 2HB ASP 107 26.354 3.021 6.482 714 HA PRO 108 HA PRO 108 25.727 5.526 2.066 715 HB2 PRO 108 1HB PRO 108 28.363 4.267 2.764 716 HB3 PRO 108 2HB PRO 108 28.041 5.745 1.851 717 HG2 PRO 108 1HG PRO 108 28.695 5.833 4.450 718 HG3 PRO 108 2HG PRO 108 27.535 6.971 3.744 719 HD2 PRO 108 1HD PRO 108 27.068 4.772 5.635 720 HD3 PRO 108 2HD PRO 108 26.028 6.150 5.234 721 H LYS 109 H LYS 109 27.342 2.453 2.890 722 HA LYS 109 HA LYS 109 27.266 1.305 0.351 723 HB2 LYS 109 1HB LYS 109 27.556 -0.851 1.546 724 HB3 LYS 109 2HB LYS 109 28.675 0.392 2.087 725 HG2 LYS 109 1HG LYS 109 27.363 0.757 4.075 726 HG3 LYS 109 2HG LYS 109 26.112 -0.339 3.496 727 HD2 LYS 109 1HD LYS 109 27.484 -1.458 5.147 728 HD3 LYS 109 2HD LYS 109 27.739 -2.191 3.565 729 HE2 LYS 109 1HE LYS 109 29.796 -0.861 3.309 730 HE3 LYS 109 2HE LYS 109 29.545 -0.193 4.921 731 HZ1 LYS 109 3HZ LYS 109 29.967 -3.060 4.279 732 HZ2 LYS 109 1HZ LYS 109 29.710 -2.426 5.827 733 HZ3 LYS 109 2HZ LYS 109 31.108 -2.020 4.970 734 H GLN 110 H GLN 110 24.956 1.035 2.995 735 HA GLN 110 HA GLN 110 23.299 -0.824 1.559 736 HB2 GLN 110 1HB GLN 110 23.279 0.362 4.291 737 HB3 GLN 110 2HB GLN 110 21.926 -0.580 3.700 738 HG2 GLN 110 1HG GLN 110 24.756 -1.490 4.036 739 HG3 GLN 110 2HG GLN 110 23.367 -1.963 4.997 740 HE21 GLN 110 2HE2 GLN 110 25.235 -3.575 3.436 741 HE22 GLN 110 1HE2 GLN 110 24.276 -4.462 2.303 742 H LEU 111 H LEU 111 23.554 2.500 1.974 743 HA LEU 111 HA LEU 111 20.789 3.176 1.777 744 HB2 LEU 111 1HB LEU 111 22.447 4.601 2.901 745 HB3 LEU 111 2HB LEU 111 23.308 4.801 1.391 746 HG LEU 111 HG LEU 111 21.864 6.749 2.178 747 HD11 LEU 111 1HD1 LEU 111 22.723 6.625 -0.087 748 HD12 LEU 111 2HD1 LEU 111 21.093 7.296 -0.076 749 HD13 LEU 111 3HD1 LEU 111 21.356 5.623 -0.567 750 HD21 LEU 111 3HD2 LEU 111 19.924 5.449 2.886 751 HD22 LEU 111 1HD2 LEU 111 19.652 4.939 1.219 752 HD23 LEU 111 2HD2 LEU 111 19.484 6.637 1.661 753 H GLU 112 H GLU 112 23.556 3.097 -0.441 754 HA GLU 112 HA GLU 112 22.070 3.897 -2.736 755 HB2 GLU 112 1HB GLU 112 24.036 3.007 -3.989 756 HB3 GLU 112 2HB GLU 112 24.471 4.139 -2.712 757 HG2 GLU 112 1HG GLU 112 25.248 2.443 -1.313 758 HG3 GLU 112 2HG GLU 112 24.446 1.188 -2.260 759 H VAL 113 H VAL 113 22.617 0.872 -1.118 760 HA VAL 113 HA VAL 113 21.666 -0.833 -3.199 761 HB VAL 113 HB VAL 113 21.907 -1.267 -0.214 762 HG11 VAL 113 1HG1 VAL 113 21.570 -3.631 -0.627 763 HG12 VAL 113 2HG1 VAL 113 21.327 -3.319 -2.345 764 HG13 VAL 113 3HG1 VAL 113 20.163 -2.715 -1.167 765 HG21 VAL 113 3HG2 VAL 113 23.581 -2.209 -2.536 766 HG22 VAL 113 1HG2 VAL 113 23.828 -2.654 -0.848 767 HG23 VAL 113 2HG2 VAL 113 24.025 -0.976 -1.355 768 H LEU 114 H LEU 114 20.236 0.695 -0.370 769 HA LEU 114 HA LEU 114 17.615 -0.354 -0.777 770 HB2 LEU 114 1HB LEU 114 18.534 0.526 1.384 771 HB3 LEU 114 2HB LEU 114 18.435 2.137 0.714 772 HG LEU 114 HG LEU 114 15.982 1.873 0.496 773 HD11 LEU 114 1HD1 LEU 114 14.881 0.027 1.679 774 HD12 LEU 114 2HD1 LEU 114 16.455 -0.716 1.962 775 HD13 LEU 114 3HD1 LEU 114 15.847 -0.537 0.316 776 HD21 LEU 114 3HD2 LEU 114 17.080 1.418 3.265 777 HD22 LEU 114 1HD2 LEU 114 15.487 2.070 2.879 778 HD23 LEU 114 2HD2 LEU 114 16.939 2.973 2.445 779 H PHE 115 H PHE 115 19.458 2.219 -2.064 780 HA PHE 115 HA PHE 115 17.442 4.022 -2.823 781 HB2 PHE 115 1HB PHE 115 19.817 4.606 -2.886 782 HB3 PHE 115 2HB PHE 115 20.087 3.441 -4.174 783 HD1 PHE 115 HD1 PHE 115 18.313 6.578 -3.337 784 HD2 PHE 115 HD2 PHE 115 19.748 4.019 -6.416 785 HE1 PHE 115 HE1 PHE 115 17.785 8.302 -5.009 786 HE2 PHE 115 HE2 PHE 115 19.226 5.737 -8.094 787 HZ PHE 115 HZ PHE 115 18.243 7.882 -7.392 788 H GLN 116 H GLN 116 18.741 1.176 -4.455 789 HA GLN 116 HA GLN 116 18.149 0.048 -6.331 790 HB2 GLN 116 1HB GLN 116 15.546 1.458 -5.869 791 HB3 GLN 116 2HB GLN 116 15.777 0.276 -7.136 792 HG2 GLN 116 1HG GLN 116 16.092 -0.245 -4.189 793 HG3 GLN 116 2HG GLN 116 14.687 -0.676 -5.163 794 HE21 GLN 116 2HE2 GLN 116 16.416 -1.350 -7.468 795 HE22 GLN 116 1HE2 GLN 116 17.107 -2.886 -7.091 796 H GLY 117 H GLY 117 19.537 0.935 -7.706 797 HA2 GLY 117 1HA GLY 117 18.449 2.997 -9.521 798 HA3 GLY 117 2HA GLY 117 20.142 3.001 -9.026 799 HA PRO 118 HA PRO 118 21.278 -0.369 -11.874 800 HB2 PRO 118 1HB PRO 118 21.563 -2.464 -10.029 801 HB3 PRO 118 2HB PRO 118 22.829 -1.370 -10.565 802 HG2 PRO 118 1HG PRO 118 21.145 -1.221 -8.118 803 HG3 PRO 118 2HG PRO 118 22.879 -0.891 -8.312 804 HD2 PRO 118 1HD PRO 118 21.187 1.126 -8.147 805 HD3 PRO 118 2HD PRO 118 22.480 1.165 -9.369 806 H GLN 119 H GLN 119 19.802 -1.408 -13.110 807 HA GLN 119 HA GLN 119 17.441 -2.529 -11.750 808 HB2 GLN 119 1HB GLN 119 17.111 -0.438 -13.162 809 HB3 GLN 119 2HB GLN 119 17.480 -1.435 -14.562 810 HG2 GLN 119 1HG GLN 119 15.580 -2.876 -14.028 811 HG3 GLN 119 2HG GLN 119 15.208 -1.864 -12.635 812 HE21 GLN 119 2HE2 GLN 119 13.178 -1.336 -13.423 813 HE22 GLN 119 1HE2 GLN 119 12.956 -0.262 -14.761 814 H PHE 120 H PHE 120 19.725 -4.042 -12.121 815 HA PHE 120 HA PHE 120 19.407 -5.726 -14.430 816 HB2 PHE 120 1HB PHE 120 21.172 -7.095 -13.417 817 HB3 PHE 120 2HB PHE 120 21.624 -5.396 -13.405 818 HD1 PHE 120 HD1 PHE 120 21.275 -4.098 -11.230 819 HD2 PHE 120 HD2 PHE 120 21.193 -8.346 -11.453 820 HE1 PHE 120 HE1 PHE 120 21.690 -4.229 -8.810 821 HE2 PHE 120 HE2 PHE 120 21.609 -8.481 -9.033 822 HZ PHE 120 HZ PHE 120 21.855 -6.421 -7.709 823 H THR 121 H THR 121 18.205 -5.571 -11.214 824 HA THR 121 HA THR 121 17.228 -8.287 -11.165 825 HB THR 121 HB THR 121 16.017 -7.372 -9.071 826 HG1 THR 121 HG1 THR 121 16.282 -5.153 -9.580 827 HG21 THR 121 3HG2 THR 121 17.998 -8.803 -8.967 828 HG22 THR 121 1HG2 THR 121 18.060 -7.553 -7.724 829 HG23 THR 121 2HG2 THR 121 19.036 -7.395 -9.185 830 H LEU 122 H LEU 122 15.628 -8.710 -12.559 831 HA LEU 122 HA LEU 122 13.516 -6.785 -13.059 832 HB2 LEU 122 1HB LEU 122 14.365 -8.153 -14.902 833 HB3 LEU 122 2HB LEU 122 13.928 -9.615 -14.038 834 HG LEU 122 HG LEU 122 11.532 -8.878 -14.162 835 HD11 LEU 122 1HD1 LEU 122 11.890 -6.503 -14.501 836 HD12 LEU 122 2HD1 LEU 122 10.957 -7.184 -15.835 837 HD13 LEU 122 3HD1 LEU 122 12.671 -6.825 -16.050 838 HD21 LEU 122 3HD2 LEU 122 11.253 -9.539 -16.490 839 HD22 LEU 122 1HD2 LEU 122 12.456 -10.544 -15.683 840 HD23 LEU 122 2HD2 LEU 122 12.970 -9.263 -16.782 841 H ARG 123 H ARG 123 13.414 -10.241 -12.279 842 HA ARG 123 HA ARG 123 12.132 -11.492 -10.895 843 HB2 ARG 123 1HB ARG 123 11.856 -8.931 -9.309 844 HB3 ARG 123 2HB ARG 123 11.480 -10.546 -8.727 845 HG2 ARG 123 1HG ARG 123 14.200 -9.532 -9.527 846 HG3 ARG 123 2HG ARG 123 13.623 -9.802 -7.881 847 HD2 ARG 123 1HD ARG 123 13.385 -12.183 -8.347 848 HD3 ARG 123 2HD ARG 123 13.924 -11.923 -10.005 849 HE ARG 123 HE ARG 123 15.788 -11.009 -8.014 850 HH11 ARG 123 1HH1 ARG 123 14.722 -13.799 -9.843 851 HH12 ARG 123 2HH1 ARG 123 16.269 -14.582 -9.790 852 HH21 ARG 123 1HH2 ARG 123 17.821 -12.040 -7.939 853 HH22 ARG 123 2HH2 ARG 123 18.031 -13.580 -8.709 854 H HIS 124 H HIS 124 9.870 -11.482 -9.728 855 HA HIS 124 HA HIS 124 7.964 -10.080 -11.479 856 HB2 HIS 124 1HB HIS 124 7.899 -12.483 -11.904 857 HB3 HIS 124 2HB HIS 124 7.684 -12.805 -10.188 858 HD1 HIS 124 HD1 HIS 124 5.836 -11.477 -13.190 859 HD2 HIS 124 HD2 HIS 124 5.086 -12.579 -9.254 860 HE1 HIS 124 HE1 HIS 124 3.333 -11.543 -12.973 861 HE2 HIS 124 HE2 HIS 124 2.910 -12.051 -10.541 862 H TRP 125 H TRP 125 7.305 -8.399 -10.325 863 HA TRP 125 HA TRP 125 6.910 -8.675 -7.450 864 HB2 TRP 125 1HB TRP 125 6.667 -6.220 -7.461 865 HB3 TRP 125 2HB TRP 125 8.177 -6.733 -8.201 866 HD1 TRP 125 HD1 TRP 125 4.962 -4.885 -8.947 867 HE1 TRP 125 HE1 TRP 125 5.097 -3.860 -11.309 868 HE3 TRP 125 HE3 TRP 125 9.225 -7.184 -10.581 869 HZ2 TRP 125 HZ2 TRP 125 6.794 -4.009 -13.556 870 HZ3 TRP 125 HZ3 TRP 125 10.037 -6.685 -12.848 871 HH2 TRP 125 HH2 TRP 125 8.846 -5.133 -14.304 872 H LEU 126 H LEU 126 4.972 -7.109 -6.755 873 HA LEU 126 HA LEU 126 2.585 -8.093 -8.186 874 HB2 LEU 126 1HB LEU 126 1.467 -8.324 -6.107 875 HB3 LEU 126 2HB LEU 126 3.044 -9.045 -5.875 876 HG LEU 126 HG LEU 126 3.429 -6.427 -5.105 877 HD11 LEU 126 1HD1 LEU 126 0.758 -7.364 -4.067 878 HD12 LEU 126 2HD1 LEU 126 1.021 -6.012 -5.167 879 HD13 LEU 126 3HD1 LEU 126 1.642 -5.941 -3.519 880 HD21 LEU 126 3HD2 LEU 126 3.508 -7.388 -2.841 881 HD22 LEU 126 1HD2 LEU 126 4.357 -8.373 -4.033 882 HD23 LEU 126 2HD2 LEU 126 2.757 -8.850 -3.475 883 H LYS 127 H LYS 127 0.647 -6.618 -7.718 884 HA LYS 127 HA LYS 127 1.346 -3.929 -7.012 885 HB2 LYS 127 1HB LYS 127 0.715 -2.858 -9.002 886 HB3 LYS 127 2HB LYS 127 1.772 -4.161 -9.513 887 HG2 LYS 127 1HG LYS 127 -0.061 -5.454 -10.291 888 HG3 LYS 127 2HG LYS 127 -1.228 -4.372 -9.530 889 HD2 LYS 127 1HD LYS 127 0.630 -3.634 -11.790 890 HD3 LYS 127 2HD LYS 127 -1.079 -4.027 -11.963 891 HE2 LYS 127 1HE LYS 127 0.056 -1.711 -10.390 892 HE3 LYS 127 2HE LYS 127 -0.703 -1.606 -11.974 893 HZ1 LYS 127 3HZ LYS 127 -2.729 -2.599 -10.851 894 HZ2 LYS 127 1HZ LYS 127 -2.347 -1.002 -10.451 895 HZ3 LYS 127 2HZ LYS 127 -1.977 -2.245 -9.375 896 H VAL 128 H VAL 128 -0.315 -2.778 -6.276 897 HA VAL 128 HA VAL 128 -3.026 -3.762 -6.765 898 HB VAL 128 HB VAL 128 -3.032 -2.316 -4.317 899 HG11 VAL 128 1HG1 VAL 128 -4.151 -4.299 -3.468 900 HG12 VAL 128 2HG1 VAL 128 -3.635 -5.206 -4.891 901 HG13 VAL 128 3HG1 VAL 128 -4.754 -3.853 -5.063 902 HG21 VAL 128 3HG2 VAL 128 -1.116 -4.632 -4.337 903 HG22 VAL 128 1HG2 VAL 128 -1.854 -3.966 -2.879 904 HG23 VAL 128 2HG2 VAL 128 -0.800 -2.960 -3.867 Start of MODEL 2 1 H1 GLY 13 1H GLY 13 23.522 -8.747 10.910 2 H2 GLY 13 2H GLY 13 23.611 -7.085 11.212 3 H3 GLY 13 3H GLY 13 23.541 -7.653 9.624 4 HA2 GLY 13 1HA GLY 13 21.311 -8.496 9.981 5 HA3 GLY 13 2HA GLY 13 21.385 -7.916 11.640 6 H SER 14 H SER 14 19.321 -6.904 10.511 7 HA SER 14 HA SER 14 19.862 -4.579 8.919 8 HB2 SER 14 1HB SER 14 17.399 -4.120 9.320 9 HB3 SER 14 2HB SER 14 17.763 -5.657 8.539 10 HG SER 14 HG SER 14 16.208 -5.644 10.374 11 HA PRO 15 HA PRO 15 20.741 -1.977 12.415 12 HB2 PRO 15 1HB PRO 15 21.070 0.333 11.085 13 HB3 PRO 15 2HB PRO 15 22.245 -0.982 10.969 14 HG2 PRO 15 1HG PRO 15 20.080 -0.201 9.058 15 HG3 PRO 15 2HG PRO 15 21.751 -0.688 8.719 16 HD2 PRO 15 1HD PRO 15 19.599 -2.369 8.507 17 HD3 PRO 15 2HD PRO 15 21.252 -2.919 8.841 18 H GLY 16 H GLY 16 18.052 -2.608 12.179 19 HA2 GLY 16 1HA GLY 16 16.027 -1.812 12.930 20 HA3 GLY 16 2HA GLY 16 16.794 -0.255 13.206 21 H ILE 17 H ILE 17 14.415 0.116 12.358 22 HA ILE 17 HA ILE 17 14.549 0.415 9.438 23 HB ILE 17 HB ILE 17 12.098 0.783 9.528 24 HG12 ILE 17 1HG1 ILE 17 12.490 0.151 12.453 25 HG13 ILE 17 2HG1 ILE 17 11.804 1.614 11.752 26 HG21 ILE 17 1HG2 ILE 17 13.055 -1.803 10.733 27 HG22 ILE 17 2HG2 ILE 17 13.015 -1.396 9.016 28 HG23 ILE 17 3HG2 ILE 17 11.508 -1.552 9.922 29 HD11 ILE 17 3HD1 ILE 17 9.887 0.327 10.960 30 HD12 ILE 17 1HD1 ILE 17 10.079 0.215 12.710 31 HD13 ILE 17 2HD1 ILE 17 10.574 -1.129 11.681 32 HA PRO 18 HA PRO 18 15.120 4.693 9.674 33 HB2 PRO 18 1HB PRO 18 13.395 5.690 7.791 34 HB3 PRO 18 2HB PRO 18 14.926 4.902 7.418 35 HG2 PRO 18 1HG PRO 18 12.160 3.784 7.369 36 HG3 PRO 18 2HG PRO 18 13.494 3.527 6.235 37 HD2 PRO 18 1HD PRO 18 12.827 1.718 8.101 38 HD3 PRO 18 2HD PRO 18 14.500 1.947 7.584 39 H VAL 19 H VAL 19 11.829 5.427 8.736 40 HA VAL 19 HA VAL 19 11.127 5.940 11.507 41 HB VAL 19 HB VAL 19 9.741 7.833 10.358 42 HG11 VAL 19 1HG1 VAL 19 11.334 8.164 12.178 43 HG12 VAL 19 2HG1 VAL 19 11.512 9.428 10.961 44 HG13 VAL 19 3HG1 VAL 19 12.663 8.092 11.022 45 HG21 VAL 19 3HG2 VAL 19 11.057 8.970 8.619 46 HG22 VAL 19 1HG2 VAL 19 10.431 7.402 8.107 47 HG23 VAL 19 2HG2 VAL 19 12.122 7.564 8.574 48 HA PRO 20 HA PRO 20 7.764 3.419 9.977 49 HB2 PRO 20 1HB PRO 20 6.907 2.545 12.363 50 HB3 PRO 20 2HB PRO 20 8.408 1.959 11.640 51 HG2 PRO 20 1HG PRO 20 8.002 3.913 13.846 52 HG3 PRO 20 2HG PRO 20 9.296 2.725 13.617 53 HD2 PRO 20 1HD PRO 20 9.443 5.461 13.036 54 HD3 PRO 20 2HD PRO 20 10.574 4.218 12.481 55 H GLY 21 H GLY 21 5.629 3.717 9.667 56 HA2 GLY 21 1HA GLY 21 3.891 5.046 11.476 57 HA3 GLY 21 2HA GLY 21 4.366 6.137 10.179 58 H LYS 22 H LYS 22 1.835 5.841 10.056 59 HA LYS 22 HA LYS 22 1.415 3.966 7.850 60 HB2 LYS 22 1HB LYS 22 -0.708 3.185 8.758 61 HB3 LYS 22 2HB LYS 22 0.602 2.809 9.866 62 HG2 LYS 22 1HG LYS 22 -0.022 4.630 11.306 63 HG3 LYS 22 2HG LYS 22 -1.249 5.165 10.156 64 HD2 LYS 22 1HD LYS 22 -2.427 3.021 10.456 65 HD3 LYS 22 2HD LYS 22 -1.220 2.545 11.652 66 HE2 LYS 22 1HE LYS 22 -1.856 4.417 13.065 67 HE3 LYS 22 2HE LYS 22 -3.024 4.952 11.859 68 HZ1 LYS 22 3HZ LYS 22 -4.075 3.715 13.655 69 HZ2 LYS 22 1HZ LYS 22 -3.120 2.363 13.309 70 HZ3 LYS 22 2HZ LYS 22 -4.254 2.908 12.181 71 H VAL 23 H VAL 23 -0.474 4.499 6.527 72 HA VAL 23 HA VAL 23 -1.827 6.993 7.209 73 HB VAL 23 HB VAL 23 -0.029 7.707 5.687 74 HG11 VAL 23 1HG1 VAL 23 0.289 5.601 4.468 75 HG12 VAL 23 2HG1 VAL 23 0.080 6.976 3.381 76 HG13 VAL 23 3HG1 VAL 23 -1.253 5.853 3.656 77 HG21 VAL 23 3HG2 VAL 23 -2.187 8.855 5.599 78 HG22 VAL 23 1HG2 VAL 23 -2.711 7.744 4.332 79 HG23 VAL 23 2HG2 VAL 23 -1.372 8.855 4.032 80 H THR 24 H THR 24 -3.994 6.966 6.605 81 HA THR 24 HA THR 24 -4.828 4.434 5.369 82 HB THR 24 HB THR 24 -5.586 4.647 7.695 83 HG1 THR 24 HG1 THR 24 -6.909 3.657 5.939 84 HG21 THR 24 3HG2 THR 24 -7.127 7.054 6.719 85 HG22 THR 24 1HG2 THR 24 -5.775 7.076 7.850 86 HG23 THR 24 2HG2 THR 24 -7.292 6.301 8.305 87 H LEU 25 H LEU 25 -5.855 4.467 3.528 88 HA LEU 25 HA LEU 25 -7.067 6.973 2.590 89 HB2 LEU 25 1HB LEU 25 -5.437 5.016 0.960 90 HB3 LEU 25 2HB LEU 25 -6.359 6.338 0.289 91 HG LEU 25 HG LEU 25 -4.178 7.118 0.266 92 HD11 LEU 25 1HD1 LEU 25 -5.348 8.124 2.847 93 HD12 LEU 25 2HD1 LEU 25 -5.662 8.760 1.232 94 HD13 LEU 25 3HD1 LEU 25 -4.049 8.890 1.934 95 HD21 LEU 25 3HD2 LEU 25 -3.121 5.380 1.531 96 HD22 LEU 25 1HD2 LEU 25 -3.835 5.978 3.029 97 HD23 LEU 25 2HD2 LEU 25 -2.633 6.945 2.177 98 H GLN 26 H GLN 26 -8.145 6.105 0.276 99 HA GLN 26 HA GLN 26 -9.772 3.799 0.968 100 HB2 GLN 26 1HB GLN 26 -10.693 6.523 0.159 101 HB3 GLN 26 2HB GLN 26 -11.662 5.110 -0.241 102 HG2 GLN 26 1HG GLN 26 -11.879 4.526 2.062 103 HG3 GLN 26 2HG GLN 26 -10.744 5.785 2.532 104 HE21 GLN 26 2HE2 GLN 26 -13.493 5.334 3.361 105 HE22 GLN 26 1HE2 GLN 26 -14.361 6.779 2.965 106 H LYS 27 H LYS 27 -10.210 2.458 -0.583 107 HA LYS 27 HA LYS 27 -8.558 2.034 -2.696 108 HB2 LYS 27 1HB LYS 27 -11.489 1.334 -2.746 109 HB3 LYS 27 2HB LYS 27 -10.194 0.492 -3.558 110 HG2 LYS 27 1HG LYS 27 -10.508 0.666 -0.582 111 HG3 LYS 27 2HG LYS 27 -11.035 -0.685 -1.584 112 HD2 LYS 27 1HD LYS 27 -8.534 -0.563 -2.411 113 HD3 LYS 27 2HD LYS 27 -8.302 0.155 -0.826 114 HE2 LYS 27 1HE LYS 27 -7.963 -2.194 -0.635 115 HE3 LYS 27 2HE LYS 27 -9.474 -1.772 0.173 116 HZ1 LYS 27 3HZ LYS 27 -9.694 -3.753 -1.206 117 HZ2 LYS 27 1HZ LYS 27 -9.248 -2.865 -2.576 118 HZ3 LYS 27 2HZ LYS 27 -10.689 -2.508 -1.770 119 H ASP 28 H ASP 28 -8.625 2.332 -4.906 120 HA ASP 28 HA ASP 28 -10.016 4.724 -5.807 121 HB2 ASP 28 1HB ASP 28 -8.495 4.752 -7.611 122 HB3 ASP 28 2HB ASP 28 -7.538 4.195 -6.247 123 H ALA 29 H ALA 29 -10.272 4.078 -8.556 124 HA ALA 29 HA ALA 29 -12.735 2.676 -8.564 125 HB1 ALA 29 3HB ALA 29 -12.198 4.434 -10.186 126 HB2 ALA 29 1HB ALA 29 -12.678 2.932 -10.977 127 HB3 ALA 29 2HB ALA 29 -10.976 3.386 -10.905 128 H GLN 30 H GLN 30 -9.441 1.613 -8.893 129 HA GLN 30 HA GLN 30 -10.082 -0.860 -10.138 130 HB2 GLN 30 1HB GLN 30 -7.689 0.469 -9.073 131 HB3 GLN 30 2HB GLN 30 -7.645 -1.157 -9.608 132 HG2 GLN 30 1HG GLN 30 -8.459 -0.318 -11.841 133 HG3 GLN 30 2HG GLN 30 -8.126 1.302 -11.213 134 HE21 GLN 30 2HE2 GLN 30 -5.962 1.733 -10.467 135 HE22 GLN 30 1HE2 GLN 30 -4.622 0.905 -11.177 136 H ASN 31 H ASN 31 -10.487 0.260 -7.071 137 HA ASN 31 HA ASN 31 -10.859 -0.753 -5.054 138 HB2 ASN 31 1HB ASN 31 -11.832 -2.600 -6.355 139 HB3 ASN 31 2HB ASN 31 -10.241 -3.316 -6.531 140 HD21 ASN 31 2HD2 ASN 31 -10.470 -5.174 -5.459 141 HD22 ASN 31 1HD2 ASN 31 -10.882 -5.310 -3.781 142 H LEU 32 H LEU 32 -8.134 -0.023 -6.223 143 HA LEU 32 HA LEU 32 -6.557 -1.385 -4.139 144 HB2 LEU 32 1HB LEU 32 -4.579 -1.172 -5.740 145 HB3 LEU 32 2HB LEU 32 -5.762 -2.388 -6.111 146 HG LEU 32 HG LEU 32 -6.772 -0.792 -7.777 147 HD11 LEU 32 1HD1 LEU 32 -5.781 1.279 -6.947 148 HD12 LEU 32 2HD1 LEU 32 -5.360 0.985 -8.634 149 HD13 LEU 32 3HD1 LEU 32 -4.177 0.675 -7.364 150 HD21 LEU 32 3HD2 LEU 32 -3.938 -1.703 -8.202 151 HD22 LEU 32 1HD2 LEU 32 -5.091 -1.289 -9.470 152 HD23 LEU 32 2HD2 LEU 32 -5.392 -2.678 -8.425 153 H ILE 33 H ILE 33 -4.144 0.052 -4.519 154 HA ILE 33 HA ILE 33 -5.087 2.648 -3.568 155 HB ILE 33 HB ILE 33 -2.363 2.172 -2.865 156 HG12 ILE 33 1HG1 ILE 33 -4.286 0.032 -1.907 157 HG13 ILE 33 2HG1 ILE 33 -2.994 -0.244 -3.080 158 HG21 ILE 33 1HG2 ILE 33 -3.389 2.426 -0.577 159 HG22 ILE 33 2HG2 ILE 33 -4.965 2.482 -1.382 160 HG23 ILE 33 3HG2 ILE 33 -3.754 3.722 -1.717 161 HD11 ILE 33 3HD1 ILE 33 -2.398 -0.963 -0.812 162 HD12 ILE 33 1HD1 ILE 33 -2.608 0.686 -0.233 163 HD13 ILE 33 2HD1 ILE 33 -1.338 0.316 -1.399 164 H GLY 34 H GLY 34 -3.126 1.061 -5.935 165 HA2 GLY 34 1HA GLY 34 -2.590 2.188 -7.967 166 HA3 GLY 34 2HA GLY 34 -2.593 3.719 -7.101 167 H ILE 35 H ILE 35 -0.933 0.805 -6.058 168 HA ILE 35 HA ILE 35 1.649 2.130 -6.659 169 HB ILE 35 HB ILE 35 2.576 0.944 -4.657 170 HG12 ILE 35 1HG1 ILE 35 0.594 0.599 -2.899 171 HG13 ILE 35 2HG1 ILE 35 -0.282 0.210 -4.373 172 HG21 ILE 35 1HG2 ILE 35 1.606 2.557 -3.010 173 HG22 ILE 35 2HG2 ILE 35 0.480 3.056 -4.273 174 HG23 ILE 35 3HG2 ILE 35 2.215 3.270 -4.501 175 HD11 ILE 35 3HD1 ILE 35 2.243 -1.128 -3.473 176 HD12 ILE 35 1HD1 ILE 35 1.278 -1.538 -4.894 177 HD13 ILE 35 2HD1 ILE 35 0.606 -1.759 -3.279 178 H SER 36 H SER 36 3.457 0.541 -6.602 179 HA SER 36 HA SER 36 2.622 -2.091 -7.540 180 HB2 SER 36 1HB SER 36 4.624 -0.266 -8.833 181 HB3 SER 36 2HB SER 36 4.571 -2.002 -9.156 182 HG SER 36 HG SER 36 2.126 -1.275 -9.359 183 H ILE 37 H ILE 37 3.651 -3.724 -6.746 184 HA ILE 37 HA ILE 37 5.658 -3.145 -4.693 185 HB ILE 37 HB ILE 37 3.890 -5.564 -5.032 186 HG12 ILE 37 1HG1 ILE 37 2.713 -3.519 -4.295 187 HG13 ILE 37 2HG1 ILE 37 2.730 -4.766 -3.052 188 HG21 ILE 37 1HG2 ILE 37 5.972 -6.246 -4.031 189 HG22 ILE 37 2HG2 ILE 37 4.726 -6.211 -2.784 190 HG23 ILE 37 3HG2 ILE 37 5.903 -4.906 -2.889 191 HD11 ILE 37 3HD1 ILE 37 3.121 -2.576 -2.099 192 HD12 ILE 37 1HD1 ILE 37 4.512 -2.343 -3.156 193 HD13 ILE 37 2HD1 ILE 37 4.546 -3.595 -1.917 194 H GLY 38 H GLY 38 7.547 -4.187 -4.574 195 HA2 GLY 38 1HA GLY 38 8.341 -5.944 -6.788 196 HA3 GLY 38 2HA GLY 38 9.269 -4.487 -6.462 197 H GLY 39 H GLY 39 11.143 -5.647 -6.010 198 HA2 GLY 39 1HA GLY 39 11.759 -8.024 -5.438 199 HA3 GLY 39 2HA GLY 39 12.550 -6.808 -4.466 200 H GLY 40 H GLY 40 12.133 -6.734 -2.232 201 HA2 GLY 40 1HA GLY 40 11.712 -7.777 -0.225 202 HA3 GLY 40 2HA GLY 40 10.101 -8.056 -0.872 203 H ALA 41 H ALA 41 13.335 -9.460 -0.469 204 HA ALA 41 HA ALA 41 12.473 -12.129 -0.757 205 HB1 ALA 41 3HB ALA 41 13.340 -12.658 -2.980 206 HB2 ALA 41 1HB ALA 41 13.722 -10.958 -3.244 207 HB3 ALA 41 2HB ALA 41 12.043 -11.469 -3.078 208 H GLN 42 H GLN 42 14.853 -13.035 -2.177 209 HA GLN 42 HA GLN 42 16.618 -13.422 -0.106 210 HB2 GLN 42 1HB GLN 42 17.132 -13.409 -3.082 211 HB3 GLN 42 2HB GLN 42 18.301 -13.974 -1.897 212 HG2 GLN 42 1HG GLN 42 15.539 -15.121 -2.211 213 HG3 GLN 42 2HG GLN 42 16.977 -15.769 -2.996 214 HE21 GLN 42 2HE2 GLN 42 15.182 -16.994 -1.047 215 HE22 GLN 42 1HE2 GLN 42 16.174 -17.455 0.294 216 H TYR 43 H TYR 43 18.090 -12.279 0.881 217 HA TYR 43 HA TYR 43 19.780 -10.853 1.323 218 HB2 TYR 43 1HB TYR 43 19.569 -10.001 -1.567 219 HB3 TYR 43 2HB TYR 43 20.845 -9.516 -0.452 220 HD1 TYR 43 HD2 TYR 43 21.924 -11.671 0.812 221 HD2 TYR 43 HD1 TYR 43 20.120 -11.684 -3.036 222 HE1 TYR 43 HE2 TYR 43 23.194 -13.690 0.230 223 HE2 TYR 43 HE1 TYR 43 21.383 -13.705 -3.627 224 HH TYR 43 HH TYR 43 23.502 -14.829 -2.913 225 H CYS 44 H CYS 44 16.792 -9.705 0.018 226 HA CYS 44 HA CYS 44 16.792 -7.562 1.919 227 HB2 CYS 44 1HB CYS 44 18.108 -6.565 0.049 228 HB3 CYS 44 2HB CYS 44 16.718 -6.792 -1.006 229 HG CYS 44 HG CYS 44 16.873 -4.733 1.724 230 HA PRO 45 HA PRO 45 12.536 -9.068 0.911 231 HB2 PRO 45 1HB PRO 45 12.385 -9.313 3.836 232 HB3 PRO 45 2HB PRO 45 12.020 -10.510 2.586 233 HG2 PRO 45 1HG PRO 45 14.180 -10.778 4.084 234 HG3 PRO 45 2HG PRO 45 14.248 -11.149 2.365 235 HD2 PRO 45 1HD PRO 45 15.088 -8.617 3.768 236 HD3 PRO 45 2HD PRO 45 16.020 -9.616 2.623 237 H CYS 46 H CYS 46 13.825 -6.361 1.670 238 HA CYS 46 HA CYS 46 11.472 -5.076 2.828 239 HB2 CYS 46 1HB CYS 46 14.150 -3.929 1.984 240 HB3 CYS 46 2HB CYS 46 12.870 -3.042 2.804 241 HG CYS 46 HG CYS 46 13.597 -3.614 5.186 242 H LEU 47 H LEU 47 12.290 -2.636 1.151 243 HA LEU 47 HA LEU 47 11.950 -1.703 -0.904 244 HB2 LEU 47 1HB LEU 47 11.424 -4.478 -1.984 245 HB3 LEU 47 2HB LEU 47 11.789 -3.038 -2.914 246 HG LEU 47 HG LEU 47 13.651 -4.529 -1.087 247 HD11 LEU 47 1HD1 LEU 47 13.567 -4.195 -4.079 248 HD12 LEU 47 2HD1 LEU 47 13.355 -5.688 -3.163 249 HD13 LEU 47 3HD1 LEU 47 14.923 -4.886 -3.188 250 HD21 LEU 47 3HD2 LEU 47 15.324 -2.926 -1.862 251 HD22 LEU 47 1HD2 LEU 47 14.024 -2.174 -0.936 252 HD23 LEU 47 2HD2 LEU 47 14.042 -2.037 -2.691 253 H TYR 48 H TYR 48 9.935 -4.190 -1.990 254 HA TYR 48 HA TYR 48 7.757 -4.350 -2.438 255 HB2 TYR 48 1HB TYR 48 7.578 -2.822 0.128 256 HB3 TYR 48 2HB TYR 48 6.125 -3.205 -0.799 257 HD1 TYR 48 HD2 TYR 48 9.181 -4.803 0.574 258 HD2 TYR 48 HD1 TYR 48 5.098 -5.284 -0.493 259 HE1 TYR 48 HE2 TYR 48 9.240 -7.084 1.438 260 HE2 TYR 48 HE1 TYR 48 5.138 -7.586 0.376 261 HH TYR 48 HH TYR 48 7.555 -8.753 2.359 262 H ILE 49 H ILE 49 7.758 -0.839 -1.404 263 HA ILE 49 HA ILE 49 6.113 -0.532 -3.780 264 HB ILE 49 HB ILE 49 5.684 0.605 -1.472 265 HG12 ILE 49 1HG1 ILE 49 4.389 0.829 -3.626 266 HG13 ILE 49 2HG1 ILE 49 4.278 2.196 -2.526 267 HG21 ILE 49 1HG2 ILE 49 7.790 1.785 -1.273 268 HG22 ILE 49 2HG2 ILE 49 6.440 2.918 -1.345 269 HG23 ILE 49 3HG2 ILE 49 7.451 2.658 -2.768 270 HD11 ILE 49 3HD1 ILE 49 4.499 2.915 -4.836 271 HD12 ILE 49 1HD1 ILE 49 6.024 2.041 -4.972 272 HD13 ILE 49 2HD1 ILE 49 5.892 3.419 -3.878 273 H VAL 50 H VAL 50 7.000 -0.343 -5.649 274 HA VAL 50 HA VAL 50 9.593 1.030 -5.884 275 HB VAL 50 HB VAL 50 9.585 -0.127 -8.202 276 HG11 VAL 50 1HG1 VAL 50 9.938 -1.721 -5.653 277 HG12 VAL 50 2HG1 VAL 50 11.146 -0.675 -6.401 278 HG13 VAL 50 3HG1 VAL 50 10.617 -2.142 -7.225 279 HG21 VAL 50 3HG2 VAL 50 7.617 -1.868 -6.719 280 HG22 VAL 50 1HG2 VAL 50 8.391 -2.266 -8.252 281 HG23 VAL 50 2HG2 VAL 50 7.280 -0.900 -8.153 282 H GLN 51 H GLN 51 6.281 1.335 -6.720 283 HA GLN 51 HA GLN 51 6.827 3.536 -8.446 284 HB2 GLN 51 1HB GLN 51 7.085 1.992 -10.134 285 HB3 GLN 51 2HB GLN 51 5.911 0.886 -9.431 286 HG2 GLN 51 1HG GLN 51 4.680 1.733 -11.103 287 HG3 GLN 51 2HG GLN 51 4.293 2.839 -9.816 288 HE21 GLN 51 2HE2 GLN 51 3.688 4.388 -11.363 289 HE22 GLN 51 1HE2 GLN 51 4.874 5.283 -12.238 290 H VAL 52 H VAL 52 5.072 4.815 -8.711 291 HA VAL 52 HA VAL 52 2.502 4.023 -7.646 292 HB VAL 52 HB VAL 52 3.865 4.988 -5.718 293 HG11 VAL 52 1HG1 VAL 52 3.803 7.503 -5.606 294 HG12 VAL 52 2HG1 VAL 52 3.500 7.483 -7.346 295 HG13 VAL 52 3HG1 VAL 52 5.001 6.804 -6.703 296 HG21 VAL 52 3HG2 VAL 52 1.537 4.751 -5.460 297 HG22 VAL 52 1HG2 VAL 52 1.211 6.114 -6.524 298 HG23 VAL 52 2HG2 VAL 52 1.925 6.388 -4.935 299 H PHE 53 H PHE 53 0.839 5.681 -8.166 300 HA PHE 53 HA PHE 53 1.609 7.015 -10.651 301 HB2 PHE 53 1HB PHE 53 -1.123 6.265 -9.610 302 HB3 PHE 53 2HB PHE 53 -0.822 7.094 -11.137 303 HD1 PHE 53 HD2 PHE 53 1.393 5.795 -12.315 304 HD2 PHE 53 HD1 PHE 53 -1.749 4.071 -10.025 305 HE1 PHE 53 HE2 PHE 53 1.788 3.637 -13.417 306 HE2 PHE 53 HE1 PHE 53 -1.365 1.904 -11.123 307 HZ PHE 53 HZ PHE 53 0.404 1.683 -12.824 308 H ASP 54 H ASP 54 -1.153 8.570 -9.966 309 HA ASP 54 HA ASP 54 0.146 10.596 -8.279 310 HB2 ASP 54 1HB ASP 54 0.480 11.132 -10.670 311 HB3 ASP 54 2HB ASP 54 -1.263 11.169 -10.887 312 H ASN 55 H ASN 55 -2.864 9.461 -9.695 313 HA ASN 55 HA ASN 55 -4.383 11.279 -8.004 314 HB2 ASN 55 1HB ASN 55 -5.144 9.800 -10.519 315 HB3 ASN 55 2HB ASN 55 -6.309 10.660 -9.517 316 HD21 ASN 55 2HD2 ASN 55 -3.668 10.948 -11.725 317 HD22 ASN 55 1HD2 ASN 55 -3.805 12.650 -11.984 318 H THR 56 H THR 56 -3.124 8.457 -7.649 319 HA THR 56 HA THR 56 -5.505 6.956 -6.892 320 HB THR 56 HB THR 56 -4.054 5.062 -6.602 321 HG1 THR 56 HG1 THR 56 -1.992 5.292 -6.136 322 HG21 THR 56 3HG2 THR 56 -4.577 5.599 -8.925 323 HG22 THR 56 1HG2 THR 56 -2.974 4.883 -8.783 324 HG23 THR 56 2HG2 THR 56 -3.141 6.620 -9.010 325 HA PRO 57 HA PRO 57 -5.542 8.327 -2.755 326 HB2 PRO 57 1HB PRO 57 -5.453 5.786 -1.484 327 HB3 PRO 57 2HB PRO 57 -6.890 6.727 -1.875 328 HG2 PRO 57 1HG PRO 57 -5.650 4.468 -3.357 329 HG3 PRO 57 2HG PRO 57 -7.348 4.932 -3.230 330 HD2 PRO 57 1HD PRO 57 -5.960 5.387 -5.459 331 HD3 PRO 57 2HD PRO 57 -7.157 6.562 -4.872 332 H ALA 58 H ALA 58 -3.411 5.579 -3.371 333 HA ALA 58 HA ALA 58 -1.569 5.922 -1.308 334 HB1 ALA 58 3HB ALA 58 -0.054 4.579 -2.631 335 HB2 ALA 58 1HB ALA 58 -1.027 4.866 -4.074 336 HB3 ALA 58 2HB ALA 58 -1.692 3.937 -2.731 337 H ALA 59 H ALA 59 -1.285 7.121 -4.702 338 HA ALA 59 HA ALA 59 1.149 8.544 -4.123 339 HB1 ALA 59 3HB ALA 59 -0.804 8.786 -6.412 340 HB2 ALA 59 1HB ALA 59 0.666 7.818 -6.378 341 HB3 ALA 59 2HB ALA 59 0.774 9.573 -6.338 342 H LEU 60 H LEU 60 -2.116 9.490 -4.891 343 HA LEU 60 HA LEU 60 -2.229 12.153 -4.680 344 HB2 LEU 60 1HB LEU 60 -3.962 10.288 -5.059 345 HB3 LEU 60 2HB LEU 60 -4.231 10.368 -3.332 346 HG LEU 60 HG LEU 60 -5.924 11.569 -4.615 347 HD11 LEU 60 1HD1 LEU 60 -5.468 12.282 -2.343 348 HD12 LEU 60 2HD1 LEU 60 -5.898 13.659 -3.357 349 HD13 LEU 60 3HD1 LEU 60 -4.213 13.377 -2.921 350 HD21 LEU 60 3HD2 LEU 60 -3.718 13.467 -5.376 351 HD22 LEU 60 1HD2 LEU 60 -5.413 13.551 -5.851 352 HD23 LEU 60 2HD2 LEU 60 -4.392 12.239 -6.445 353 H ASP 61 H ASP 61 -3.364 10.330 -1.846 354 HA ASP 61 HA ASP 61 -2.513 12.575 -0.171 355 HB2 ASP 61 1HB ASP 61 -4.903 11.876 -0.133 356 HB3 ASP 61 2HB ASP 61 -4.402 10.330 0.538 357 H GLY 62 H GLY 62 -2.121 9.136 -0.583 358 HA2 GLY 62 1HA GLY 62 -1.369 8.517 2.069 359 HA3 GLY 62 2HA GLY 62 -1.092 7.504 0.668 360 H THR 63 H THR 63 0.520 9.618 -0.587 361 HA THR 63 HA THR 63 2.691 10.011 -0.948 362 HB THR 63 HB THR 63 2.230 11.767 0.733 363 HG1 THR 63 HG1 THR 63 4.217 11.879 -0.227 364 HG21 THR 63 3HG2 THR 63 3.164 11.547 2.987 365 HG22 THR 63 1HG2 THR 63 3.538 9.855 2.661 366 HG23 THR 63 2HG2 THR 63 1.859 10.392 2.709 367 H VAL 64 H VAL 64 2.041 7.362 -0.508 368 HA VAL 64 HA VAL 64 4.418 6.213 0.767 369 HB VAL 64 HB VAL 64 3.263 4.026 0.360 370 HG11 VAL 64 1HG1 VAL 64 1.679 4.271 2.138 371 HG12 VAL 64 2HG1 VAL 64 1.564 6.014 1.857 372 HG13 VAL 64 3HG1 VAL 64 3.060 5.314 2.486 373 HG21 VAL 64 3HG2 VAL 64 0.974 3.987 -0.356 374 HG22 VAL 64 1HG2 VAL 64 1.918 4.872 -1.559 375 HG23 VAL 64 2HG2 VAL 64 0.915 5.751 -0.404 376 H ALA 65 H ALA 65 5.224 7.543 -1.275 377 HA ALA 65 HA ALA 65 4.744 6.273 -3.807 378 HB1 ALA 65 3HB ALA 65 6.001 8.107 -4.761 379 HB2 ALA 65 1HB ALA 65 6.530 8.609 -3.155 380 HB3 ALA 65 2HB ALA 65 4.826 8.717 -3.596 381 H ALA 66 H ALA 66 6.859 6.361 -5.264 382 HA ALA 66 HA ALA 66 7.969 3.886 -4.850 383 HB1 ALA 66 3HB ALA 66 7.790 5.210 -6.980 384 HB2 ALA 66 1HB ALA 66 9.293 4.310 -6.756 385 HB3 ALA 66 2HB ALA 66 9.259 6.050 -6.479 386 H GLY 67 H GLY 67 9.721 3.060 -3.880 387 HA2 GLY 67 1HA GLY 67 11.951 3.079 -3.127 388 HA3 GLY 67 2HA GLY 67 11.912 4.835 -3.114 389 H ASP 68 H ASP 68 9.169 3.459 -1.679 390 HA ASP 68 HA ASP 68 10.313 3.950 0.983 391 HB2 ASP 68 1HB ASP 68 7.976 4.894 -0.082 392 HB3 ASP 68 2HB ASP 68 7.417 3.488 0.811 393 H GLU 69 H GLU 69 9.365 2.551 2.734 394 HA GLU 69 HA GLU 69 9.541 -0.238 1.806 395 HB2 GLU 69 1HB GLU 69 11.411 0.540 3.230 396 HB3 GLU 69 2HB GLU 69 10.263 0.911 4.507 397 HG2 GLU 69 1HG GLU 69 9.679 -1.427 4.706 398 HG3 GLU 69 2HG GLU 69 10.748 -1.830 3.362 399 H ILE 70 H ILE 70 7.467 -0.860 1.585 400 HA ILE 70 HA ILE 70 5.479 -0.094 3.556 401 HB ILE 70 HB ILE 70 5.120 -2.042 1.283 402 HG12 ILE 70 1HG1 ILE 70 5.936 0.047 0.359 403 HG13 ILE 70 2HG1 ILE 70 4.224 -0.136 -0.010 404 HG21 ILE 70 1HG2 ILE 70 2.750 -1.410 1.474 405 HG22 ILE 70 2HG2 ILE 70 3.152 -0.387 2.855 406 HG23 ILE 70 3HG2 ILE 70 3.370 -2.134 2.959 407 HD11 ILE 70 3HD1 ILE 70 3.666 1.411 1.772 408 HD12 ILE 70 1HD1 ILE 70 4.787 2.147 0.625 409 HD13 ILE 70 2HD1 ILE 70 5.372 1.567 2.184 410 H THR 71 H THR 71 5.544 -1.098 5.447 411 HA THR 71 HA THR 71 6.542 -3.846 5.530 412 HB THR 71 HB THR 71 7.872 -2.392 6.859 413 HG1 THR 71 HG1 THR 71 6.865 -4.494 7.820 414 HG21 THR 71 3HG2 THR 71 6.328 -0.541 7.138 415 HG22 THR 71 1HG2 THR 71 6.959 -1.049 8.704 416 HG23 THR 71 2HG2 THR 71 5.327 -1.512 8.219 417 H GLY 72 H GLY 72 3.606 -2.102 5.904 418 HA2 GLY 72 1HA GLY 72 2.401 -4.556 6.989 419 HA3 GLY 72 2HA GLY 72 2.054 -3.027 7.774 420 H VAL 73 H VAL 73 0.526 -5.143 6.164 421 HA VAL 73 HA VAL 73 -0.756 -3.392 4.213 422 HB VAL 73 HB VAL 73 -0.397 -5.331 3.019 423 HG11 VAL 73 1HG1 VAL 73 -0.845 -7.058 5.450 424 HG12 VAL 73 2HG1 VAL 73 0.741 -6.436 5.005 425 HG13 VAL 73 3HG1 VAL 73 -0.118 -7.524 3.913 426 HG21 VAL 73 3HG2 VAL 73 -2.365 -6.770 3.079 427 HG22 VAL 73 1HG2 VAL 73 -2.806 -5.062 3.174 428 HG23 VAL 73 2HG2 VAL 73 -2.810 -6.056 4.633 429 H ASN 74 H ASN 74 -2.568 -2.443 4.869 430 HA ASN 74 HA ASN 74 -4.421 -1.891 6.054 431 HB2 ASN 74 1HB ASN 74 -5.198 -3.986 4.849 432 HB3 ASN 74 2HB ASN 74 -4.896 -4.862 6.347 433 HD21 ASN 74 2HD2 ASN 74 -7.045 -5.406 6.627 434 HD22 ASN 74 1HD2 ASN 74 -8.247 -4.249 7.074 435 H GLY 75 H GLY 75 -1.919 -2.280 7.493 436 HA2 GLY 75 1HA GLY 75 -1.610 -1.611 9.750 437 HA3 GLY 75 2HA GLY 75 -3.088 -2.454 10.174 438 H ARG 76 H ARG 76 -2.009 -4.847 8.498 439 HA ARG 76 HA ARG 76 -0.421 -5.906 10.703 440 HB2 ARG 76 1HB ARG 76 -1.139 -8.088 9.772 441 HB3 ARG 76 2HB ARG 76 -2.460 -7.106 10.345 442 HG2 ARG 76 1HG ARG 76 -2.578 -6.378 7.845 443 HG3 ARG 76 2HG ARG 76 -1.713 -7.889 7.574 444 HD2 ARG 76 1HD ARG 76 -4.072 -8.293 7.352 445 HD3 ARG 76 2HD ARG 76 -3.497 -9.075 8.823 446 HE ARG 76 HE ARG 76 -4.368 -6.933 9.940 447 HH11 ARG 76 1HH1 ARG 76 -5.834 -8.428 7.115 448 HH12 ARG 76 2HH1 ARG 76 -7.425 -7.850 7.492 449 HH21 ARG 76 1HH2 ARG 76 -6.463 -6.165 10.405 450 HH22 ARG 76 2HH2 ARG 76 -7.782 -6.565 9.351 451 H SER 77 H SER 77 1.631 -6.552 10.392 452 HA SER 77 HA SER 77 3.190 -5.690 8.322 453 HB2 SER 77 1HB SER 77 3.604 -8.043 10.162 454 HB3 SER 77 2HB SER 77 4.852 -7.429 9.077 455 HG SER 77 HG SER 77 3.728 -6.261 11.369 456 H ILE 78 H ILE 78 3.921 -6.424 6.390 457 HA ILE 78 HA ILE 78 2.134 -8.227 5.016 458 HB ILE 78 HB ILE 78 3.123 -7.585 3.011 459 HG12 ILE 78 1HG1 ILE 78 5.467 -8.139 3.657 460 HG13 ILE 78 2HG1 ILE 78 5.325 -6.685 2.682 461 HG21 ILE 78 1HG2 ILE 78 3.509 -5.104 3.160 462 HG22 ILE 78 2HG2 ILE 78 3.333 -5.270 4.908 463 HG23 ILE 78 3HG2 ILE 78 1.996 -5.695 3.841 464 HD11 ILE 78 3HD1 ILE 78 5.575 -5.327 4.700 465 HD12 ILE 78 1HD1 ILE 78 6.957 -6.390 4.433 466 HD13 ILE 78 2HD1 ILE 78 5.753 -6.798 5.657 467 H LYS 79 H LYS 79 5.049 -8.421 6.652 468 HA LYS 79 HA LYS 79 6.454 -10.363 5.177 469 HB2 LYS 79 1HB LYS 79 7.486 -8.787 6.731 470 HB3 LYS 79 2HB LYS 79 6.633 -9.526 8.074 471 HG2 LYS 79 1HG LYS 79 7.904 -11.569 7.794 472 HG3 LYS 79 2HG LYS 79 8.687 -10.912 6.354 473 HD2 LYS 79 1HD LYS 79 9.637 -9.100 7.752 474 HD3 LYS 79 2HD LYS 79 8.928 -9.865 9.174 475 HE2 LYS 79 1HE LYS 79 10.263 -11.860 8.787 476 HE3 LYS 79 2HE LYS 79 10.936 -11.145 7.323 477 HZ1 LYS 79 3HZ LYS 79 11.948 -9.420 8.665 478 HZ2 LYS 79 1HZ LYS 79 12.444 -10.941 9.207 479 HZ3 LYS 79 2HZ LYS 79 11.280 -10.073 10.072 480 H GLY 80 H GLY 80 3.727 -10.588 7.162 481 HA2 GLY 80 1HA GLY 80 4.137 -13.330 7.966 482 HA3 GLY 80 2HA GLY 80 2.671 -12.386 8.174 483 H LYS 81 H LYS 81 2.936 -11.717 5.158 484 HA LYS 81 HA LYS 81 1.552 -14.180 4.304 485 HB2 LYS 81 1HB LYS 81 1.314 -11.463 2.998 486 HB3 LYS 81 2HB LYS 81 0.322 -12.878 2.702 487 HG2 LYS 81 1HG LYS 81 -1.025 -11.466 3.900 488 HG3 LYS 81 2HG LYS 81 -0.441 -12.606 5.124 489 HD2 LYS 81 1HD LYS 81 1.355 -10.956 5.654 490 HD3 LYS 81 2HD LYS 81 0.551 -9.816 4.581 491 HE2 LYS 81 1HE LYS 81 -0.066 -9.422 6.921 492 HE3 LYS 81 2HE LYS 81 -1.458 -9.895 5.950 493 HZ1 LYS 81 3HZ LYS 81 0.067 -11.625 7.818 494 HZ2 LYS 81 1HZ LYS 81 -1.172 -12.175 6.806 495 HZ3 LYS 81 2HZ LYS 81 -1.510 -11.057 8.023 496 H THR 82 H THR 82 1.760 -12.515 1.685 497 HA THR 82 HA THR 82 4.440 -12.932 0.750 498 HB THR 82 HB THR 82 2.274 -14.523 -0.644 499 HG1 THR 82 HG1 THR 82 2.408 -15.629 1.241 500 HG21 THR 82 3HG2 THR 82 4.252 -13.985 -1.962 501 HG22 THR 82 1HG2 THR 82 4.199 -15.713 -1.614 502 HG23 THR 82 2HG2 THR 82 5.291 -14.665 -0.709 503 H LYS 83 H LYS 83 4.557 -12.111 -1.512 504 HA LYS 83 HA LYS 83 3.443 -9.646 -1.838 505 HB2 LYS 83 1HB LYS 83 3.885 -11.154 -4.348 506 HB3 LYS 83 2HB LYS 83 4.523 -9.596 -3.843 507 HG2 LYS 83 1HG LYS 83 5.893 -10.980 -2.185 508 HG3 LYS 83 2HG LYS 83 5.524 -12.326 -3.249 509 HD2 LYS 83 1HD LYS 83 6.419 -11.013 -5.150 510 HD3 LYS 83 2HD LYS 83 6.894 -9.750 -4.009 511 HE2 LYS 83 1HE LYS 83 8.258 -11.414 -2.810 512 HE3 LYS 83 2HE LYS 83 7.846 -12.595 -4.050 513 HZ1 LYS 83 3HZ LYS 83 9.404 -10.097 -4.393 514 HZ2 LYS 83 1HZ LYS 83 8.847 -11.040 -5.688 515 HZ3 LYS 83 2HZ LYS 83 9.952 -11.687 -4.586 516 H VAL 84 H VAL 84 2.379 -12.497 -3.667 517 HA VAL 84 HA VAL 84 0.180 -11.364 -4.862 518 HB VAL 84 HB VAL 84 1.030 -13.458 -5.622 519 HG11 VAL 84 1HG1 VAL 84 0.899 -15.511 -4.325 520 HG12 VAL 84 2HG1 VAL 84 0.195 -14.627 -2.971 521 HG13 VAL 84 3HG1 VAL 84 1.853 -14.298 -3.472 522 HG21 VAL 84 3HG2 VAL 84 -1.698 -13.808 -4.439 523 HG22 VAL 84 1HG2 VAL 84 -1.005 -14.806 -5.714 524 HG23 VAL 84 2HG2 VAL 84 -1.311 -13.095 -6.002 525 H GLU 85 H GLU 85 0.471 -12.713 -1.644 526 HA GLU 85 HA GLU 85 -2.344 -12.780 -1.151 527 HB2 GLU 85 1HB GLU 85 -0.056 -12.970 0.811 528 HB3 GLU 85 2HB GLU 85 -1.729 -13.416 1.122 529 HG2 GLU 85 1HG GLU 85 -1.525 -15.122 -0.683 530 HG3 GLU 85 2HG GLU 85 0.191 -14.743 -0.773 531 H VAL 86 H VAL 86 0.313 -10.619 -0.161 532 HA VAL 86 HA VAL 86 -1.166 -8.960 1.510 533 HB VAL 86 HB VAL 86 0.526 -7.273 1.237 534 HG11 VAL 86 1HG1 VAL 86 2.570 -8.697 1.657 535 HG12 VAL 86 2HG1 VAL 86 1.551 -10.094 1.321 536 HG13 VAL 86 3HG1 VAL 86 1.170 -9.029 2.676 537 HG21 VAL 86 3HG2 VAL 86 2.386 -7.495 -0.333 538 HG22 VAL 86 1HG2 VAL 86 0.841 -7.279 -1.156 539 HG23 VAL 86 2HG2 VAL 86 1.579 -8.879 -1.073 540 H ALA 87 H ALA 87 -0.545 -8.521 -1.973 541 HA ALA 87 HA ALA 87 -2.106 -6.229 -2.400 542 HB1 ALA 87 3HB ALA 87 -2.312 -6.981 -4.715 543 HB2 ALA 87 1HB ALA 87 -1.680 -8.565 -4.257 544 HB3 ALA 87 2HB ALA 87 -0.662 -7.131 -4.110 545 H LYS 88 H LYS 88 -3.042 -9.657 -2.274 546 HA LYS 88 HA LYS 88 -5.767 -9.311 -2.849 547 HB2 LYS 88 1HB LYS 88 -4.853 -11.533 -2.768 548 HB3 LYS 88 2HB LYS 88 -4.443 -11.347 -1.071 549 HG2 LYS 88 1HG LYS 88 -6.707 -11.329 -0.440 550 HG3 LYS 88 2HG LYS 88 -7.255 -11.171 -2.097 551 HD2 LYS 88 1HD LYS 88 -7.589 -13.423 -1.671 552 HD3 LYS 88 2HD LYS 88 -6.005 -13.391 -2.452 553 HE2 LYS 88 1HE LYS 88 -5.713 -14.784 -0.593 554 HE3 LYS 88 2HE LYS 88 -5.039 -13.223 -0.128 555 HZ1 LYS 88 3HZ LYS 88 -7.673 -14.329 0.657 556 HZ2 LYS 88 1HZ LYS 88 -7.200 -12.733 0.971 557 HZ3 LYS 88 2HZ LYS 88 -6.354 -14.026 1.666 558 H MET 89 H MET 89 -4.125 -9.545 0.296 559 HA MET 89 HA MET 89 -6.222 -9.146 1.993 560 HB2 MET 89 1HB MET 89 -3.440 -8.105 2.255 561 HB3 MET 89 2HB MET 89 -4.581 -8.264 3.580 562 HG2 MET 89 1HG MET 89 -3.278 -10.412 1.959 563 HG3 MET 89 2HG MET 89 -3.223 -10.132 3.681 564 HE1 MET 89 3HE MET 89 -3.616 -12.766 3.926 565 HE2 MET 89 1HE MET 89 -3.829 -12.956 2.185 566 HE3 MET 89 2HE MET 89 -5.038 -13.595 3.297 567 H ILE 90 H ILE 90 -4.257 -6.717 0.384 568 HA ILE 90 HA ILE 90 -5.471 -4.437 1.470 569 HB ILE 90 HB ILE 90 -3.915 -4.932 -1.051 570 HG12 ILE 90 1HG1 ILE 90 -3.292 -3.300 1.414 571 HG13 ILE 90 2HG1 ILE 90 -2.856 -4.993 1.223 572 HG21 ILE 90 1HG2 ILE 90 -3.928 -2.666 -1.659 573 HG22 ILE 90 2HG2 ILE 90 -4.680 -2.170 -0.136 574 HG23 ILE 90 3HG2 ILE 90 -5.626 -3.047 -1.340 575 HD11 ILE 90 3HD1 ILE 90 -1.374 -4.477 -0.566 576 HD12 ILE 90 1HD1 ILE 90 -1.016 -3.400 0.781 577 HD13 ILE 90 2HD1 ILE 90 -1.924 -2.803 -0.608 578 H GLN 91 H GLN 91 -6.121 -6.061 -1.686 579 HA GLN 91 HA GLN 91 -8.223 -4.191 -2.222 580 HB2 GLN 91 1HB GLN 91 -8.438 -5.251 -4.303 581 HB3 GLN 91 2HB GLN 91 -6.729 -5.294 -3.939 582 HG2 GLN 91 1HG GLN 91 -7.050 -7.620 -3.133 583 HG3 GLN 91 2HG GLN 91 -8.697 -7.550 -3.745 584 HE21 GLN 91 2HE2 GLN 91 -8.364 -9.167 -5.256 585 HE22 GLN 91 1HE2 GLN 91 -7.408 -8.925 -6.677 586 H GLU 92 H GLU 92 -8.001 -7.189 -0.625 587 HA GLU 92 HA GLU 92 -10.596 -8.226 -1.097 588 HB2 GLU 92 1HB GLU 92 -8.873 -9.703 -0.436 589 HB3 GLU 92 2HB GLU 92 -8.481 -8.749 0.975 590 HG2 GLU 92 1HG GLU 92 -10.682 -9.325 1.919 591 HG3 GLU 92 2HG GLU 92 -10.961 -10.365 0.534 592 H VAL 93 H VAL 93 -9.176 -6.638 1.722 593 HA VAL 93 HA VAL 93 -11.360 -6.507 3.369 594 HB VAL 93 HB VAL 93 -10.401 -4.554 4.460 595 HG11 VAL 93 1HG1 VAL 93 -8.190 -5.491 4.964 596 HG12 VAL 93 2HG1 VAL 93 -8.337 -6.557 3.564 597 HG13 VAL 93 3HG1 VAL 93 -9.447 -6.727 4.926 598 HG21 VAL 93 3HG2 VAL 93 -9.747 -3.251 2.499 599 HG22 VAL 93 1HG2 VAL 93 -8.488 -4.429 2.126 600 HG23 VAL 93 2HG2 VAL 93 -8.383 -3.462 3.598 601 H LYS 94 H LYS 94 -10.629 -4.351 0.680 602 HA LYS 94 HA LYS 94 -12.004 -3.149 -0.673 603 HB2 LYS 94 1HB LYS 94 -13.474 -5.097 -0.576 604 HB3 LYS 94 2HB LYS 94 -14.204 -4.493 0.901 605 HG2 LYS 94 1HG LYS 94 -14.941 -2.479 -0.420 606 HG3 LYS 94 2HG LYS 94 -14.422 -3.346 -1.867 607 HD2 LYS 94 1HD LYS 94 -16.464 -4.334 0.124 608 HD3 LYS 94 2HD LYS 94 -16.834 -3.598 -1.435 609 HE2 LYS 94 1HE LYS 94 -15.229 -6.121 -1.053 610 HE3 LYS 94 2HE LYS 94 -16.942 -6.072 -1.460 611 HZ1 LYS 94 3HZ LYS 94 -14.707 -5.021 -3.109 612 HZ2 LYS 94 1HZ LYS 94 -16.346 -4.852 -3.488 613 HZ3 LYS 94 2HZ LYS 94 -15.645 -6.386 -3.435 614 H GLY 95 H GLY 95 -12.484 -1.025 -0.675 615 HA2 GLY 95 1HA GLY 95 -13.924 0.744 0.045 616 HA3 GLY 95 2HA GLY 95 -13.934 0.038 1.652 617 H GLU 96 H GLU 96 -11.218 -0.292 2.116 618 HA GLU 96 HA GLU 96 -10.085 2.340 1.872 619 HB2 GLU 96 1HB GLU 96 -9.872 2.701 4.232 620 HB3 GLU 96 2HB GLU 96 -11.567 2.391 3.874 621 HG2 GLU 96 1HG GLU 96 -11.378 0.149 4.640 622 HG3 GLU 96 2HG GLU 96 -9.650 0.310 4.855 623 H VAL 97 H VAL 97 -8.036 2.304 3.352 624 HA VAL 97 HA VAL 97 -6.633 -0.249 3.180 625 HB VAL 97 HB VAL 97 -4.795 0.569 1.879 626 HG11 VAL 97 1HG1 VAL 97 -5.761 0.996 -0.270 627 HG12 VAL 97 2HG1 VAL 97 -7.262 1.567 0.464 628 HG13 VAL 97 3HG1 VAL 97 -6.802 -0.137 0.593 629 HG21 VAL 97 3HG2 VAL 97 -6.143 3.262 1.894 630 HG22 VAL 97 1HG2 VAL 97 -4.682 2.853 0.997 631 HG23 VAL 97 2HG2 VAL 97 -4.670 2.824 2.759 632 H THR 98 H THR 98 -4.731 -0.278 4.511 633 HA THR 98 HA THR 98 -4.064 2.185 5.935 634 HB THR 98 HB THR 98 -4.325 -0.454 7.386 635 HG1 THR 98 HG1 THR 98 -6.251 1.334 6.672 636 HG21 THR 98 3HG2 THR 98 -3.984 2.383 8.356 637 HG22 THR 98 1HG2 THR 98 -2.746 1.128 8.361 638 HG23 THR 98 2HG2 THR 98 -4.173 0.963 9.383 639 H ILE 99 H ILE 99 -2.070 2.464 5.065 640 HA ILE 99 HA ILE 99 -0.371 0.121 4.655 641 HB ILE 99 HB ILE 99 1.180 2.098 3.725 642 HG12 ILE 99 1HG1 ILE 99 -0.660 3.784 4.286 643 HG13 ILE 99 2HG1 ILE 99 0.020 3.847 2.669 644 HG21 ILE 99 1HG2 ILE 99 0.368 1.565 1.483 645 HG22 ILE 99 2HG2 ILE 99 -1.039 0.767 2.193 646 HG23 ILE 99 3HG2 ILE 99 0.580 0.127 2.485 647 HD11 ILE 99 3HD1 ILE 99 -2.459 4.102 2.871 648 HD12 ILE 99 1HD1 ILE 99 -2.516 2.395 3.290 649 HD13 ILE 99 2HD1 ILE 99 -1.897 2.893 1.713 650 H HIS 100 H HIS 100 1.032 -0.439 6.147 651 HA HIS 100 HA HIS 100 2.124 1.600 7.947 652 HB2 HIS 100 1HB HIS 100 1.364 -0.803 8.678 653 HB3 HIS 100 2HB HIS 100 2.903 -1.291 7.988 654 HD1 HIS 100 HD1 HIS 100 4.210 -1.867 10.038 655 HD2 HIS 100 HD2 HIS 100 2.387 1.856 10.309 656 HE1 HIS 100 HE1 HIS 100 5.136 -0.811 12.120 657 HE2 HIS 100 HE2 HIS 100 3.886 1.359 12.353 658 H TYR 101 H TYR 101 4.148 2.359 7.692 659 HA TYR 101 HA TYR 101 5.831 1.128 5.645 660 HB2 TYR 101 1HB TYR 101 6.187 3.410 4.622 661 HB3 TYR 101 2HB TYR 101 4.600 2.701 4.350 662 HD1 TYR 101 HD1 TYR 101 6.307 4.945 6.811 663 HD2 TYR 101 HD2 TYR 101 2.765 4.075 4.628 664 HE1 TYR 101 HE1 TYR 101 5.259 6.969 7.717 665 HE2 TYR 101 HE2 TYR 101 1.712 6.102 5.536 666 HH TYR 101 HH TYR 101 1.928 7.591 7.465 667 H ASN 102 H ASN 102 7.953 2.063 5.513 668 HA ASN 102 HA ASN 102 8.888 3.492 7.904 669 HB2 ASN 102 1HB ASN 102 10.331 1.147 6.615 670 HB3 ASN 102 2HB ASN 102 10.894 2.082 7.996 671 HD21 ASN 102 2HD2 ASN 102 10.325 -0.797 7.596 672 HD22 ASN 102 1HD2 ASN 102 9.236 -1.206 8.885 673 H LYS 103 H LYS 103 9.494 5.412 6.985 674 HA LYS 103 HA LYS 103 10.079 5.365 4.133 675 HB2 LYS 103 1HB LYS 103 9.784 7.885 5.700 676 HB3 LYS 103 2HB LYS 103 9.303 7.533 4.044 677 HG2 LYS 103 1HG LYS 103 7.579 5.958 5.067 678 HG3 LYS 103 2HG LYS 103 7.930 6.773 6.593 679 HD2 LYS 103 1HD LYS 103 6.134 7.966 5.760 680 HD3 LYS 103 2HD LYS 103 7.525 8.933 5.268 681 HE2 LYS 103 1HE LYS 103 7.443 7.623 3.079 682 HE3 LYS 103 2HE LYS 103 5.850 7.081 3.598 683 HZ1 LYS 103 3HZ LYS 103 6.695 9.883 3.128 684 HZ2 LYS 103 1HZ LYS 103 5.199 9.436 3.781 685 HZ3 LYS 103 2HZ LYS 103 5.600 8.982 2.202 686 H LEU 104 H LEU 104 11.877 6.175 3.204 687 HA LEU 104 HA LEU 104 13.946 7.405 4.746 688 HB2 LEU 104 1HB LEU 104 15.643 5.683 4.442 689 HB3 LEU 104 2HB LEU 104 14.326 5.116 5.442 690 HG LEU 104 HG LEU 104 14.858 4.341 2.564 691 HD11 LEU 104 1HD1 LEU 104 15.337 2.145 3.512 692 HD12 LEU 104 2HD1 LEU 104 15.065 2.784 5.134 693 HD13 LEU 104 3HD1 LEU 104 16.418 3.375 4.167 694 HD21 LEU 104 3HD2 LEU 104 12.465 4.333 2.967 695 HD22 LEU 104 1HD2 LEU 104 12.700 3.391 4.440 696 HD23 LEU 104 2HD2 LEU 104 13.077 2.681 2.869 697 H GLN 105 H GLN 105 13.251 5.608 1.764 698 HA GLN 105 HA GLN 105 14.000 5.827 -0.360 699 HB2 GLN 105 1HB GLN 105 14.039 8.709 0.519 700 HB3 GLN 105 2HB GLN 105 14.552 8.242 -1.093 701 HG2 GLN 105 1HG GLN 105 12.290 8.974 -1.206 702 HG3 GLN 105 2HG GLN 105 12.315 7.233 -1.458 703 HE21 GLN 105 2HE2 GLN 105 11.343 5.895 0.031 704 HE22 GLN 105 1HE2 GLN 105 10.301 6.493 1.288 705 H ALA 106 H ALA 106 15.814 5.542 2.029 706 HA ALA 106 HA ALA 106 17.986 5.185 2.501 707 HB1 ALA 106 3HB ALA 106 17.869 3.862 0.459 708 HB2 ALA 106 1HB ALA 106 19.458 4.600 0.657 709 HB3 ALA 106 2HB ALA 106 18.307 5.281 -0.492 710 H ASP 107 H ASP 107 20.339 6.057 1.439 711 HA ASP 107 HA ASP 107 20.152 9.005 1.420 712 HB2 ASP 107 1HB ASP 107 21.027 8.243 3.598 713 HB3 ASP 107 2HB ASP 107 22.227 7.251 2.781 714 HA PRO 108 HA PRO 108 21.964 9.185 -2.580 715 HB2 PRO 108 1HB PRO 108 24.350 10.254 -1.104 716 HB3 PRO 108 2HB PRO 108 23.677 10.774 -2.653 717 HG2 PRO 108 1HG PRO 108 23.095 12.049 -0.357 718 HG3 PRO 108 2HG PRO 108 21.916 11.888 -1.669 719 HD2 PRO 108 1HD PRO 108 21.893 10.665 0.981 720 HD3 PRO 108 2HD PRO 108 20.598 10.735 -0.230 721 H LYS 109 H LYS 109 24.510 8.280 -0.234 722 HA LYS 109 HA LYS 109 26.036 6.715 -1.982 723 HB2 LYS 109 1HB LYS 109 26.933 5.674 0.109 724 HB3 LYS 109 2HB LYS 109 26.981 7.429 0.094 725 HG2 LYS 109 1HG LYS 109 24.939 7.463 1.481 726 HG3 LYS 109 2HG LYS 109 24.973 5.695 1.538 727 HD2 LYS 109 1HD LYS 109 27.174 5.779 2.618 728 HD3 LYS 109 2HD LYS 109 27.165 7.539 2.526 729 HE2 LYS 109 1HE LYS 109 26.544 7.007 4.734 730 HE3 LYS 109 2HE LYS 109 25.050 7.461 3.917 731 HZ1 LYS 109 3HZ LYS 109 24.492 5.147 3.675 732 HZ2 LYS 109 1HZ LYS 109 24.808 5.473 5.300 733 HZ3 LYS 109 2HZ LYS 109 25.961 4.672 4.360 734 H GLN 110 H GLN 110 23.460 5.814 0.208 735 HA GLN 110 HA GLN 110 23.584 3.020 -0.460 736 HB2 GLN 110 1HB GLN 110 21.922 4.684 1.379 737 HB3 GLN 110 2HB GLN 110 21.618 2.987 1.134 738 HG2 GLN 110 1HG GLN 110 24.126 4.198 2.202 739 HG3 GLN 110 2HG GLN 110 22.891 3.367 3.127 740 HE21 GLN 110 2HE2 GLN 110 22.472 1.294 1.145 741 HE22 GLN 110 1HE2 GLN 110 23.854 0.258 1.222 742 H LEU 111 H LEU 111 22.044 5.805 -1.551 743 HA LEU 111 HA LEU 111 19.535 4.702 -2.331 744 HB2 LEU 111 1HB LEU 111 19.844 7.061 -1.765 745 HB3 LEU 111 2HB LEU 111 20.969 7.250 -3.086 746 HG LEU 111 HG LEU 111 18.629 8.195 -3.400 747 HD11 LEU 111 1HD1 LEU 111 19.639 6.231 -5.445 748 HD12 LEU 111 2HD1 LEU 111 20.156 7.907 -5.263 749 HD13 LEU 111 3HD1 LEU 111 18.499 7.543 -5.745 750 HD21 LEU 111 3HD2 LEU 111 17.959 5.278 -3.737 751 HD22 LEU 111 1HD2 LEU 111 16.897 6.632 -4.122 752 HD23 LEU 111 2HD2 LEU 111 17.383 6.338 -2.451 753 H GLU 112 H GLU 112 22.553 5.532 -3.978 754 HA GLU 112 HA GLU 112 21.734 4.604 -6.536 755 HB2 GLU 112 1HB GLU 112 24.193 4.604 -7.016 756 HB3 GLU 112 2HB GLU 112 23.581 6.127 -6.379 757 HG2 GLU 112 1HG GLU 112 24.483 5.706 -4.243 758 HG3 GLU 112 2HG GLU 112 24.838 4.028 -4.653 759 H VAL 113 H VAL 113 23.317 3.115 -3.769 760 HA VAL 113 HA VAL 113 23.913 0.622 -4.947 761 HB VAL 113 HB VAL 113 23.327 1.326 -2.061 762 HG11 VAL 113 1HG1 VAL 113 24.441 -0.772 -1.481 763 HG12 VAL 113 2HG1 VAL 113 24.556 -1.185 -3.191 764 HG13 VAL 113 3HG1 VAL 113 22.975 -1.057 -2.419 765 HG21 VAL 113 3HG2 VAL 113 25.259 2.477 -2.978 766 HG22 VAL 113 1HG2 VAL 113 25.928 0.944 -3.535 767 HG23 VAL 113 2HG2 VAL 113 25.761 1.257 -1.808 768 H LEU 114 H LEU 114 21.088 1.864 -3.249 769 HA LEU 114 HA LEU 114 19.571 -0.545 -3.390 770 HB2 LEU 114 1HB LEU 114 19.201 1.357 -1.792 771 HB3 LEU 114 2HB LEU 114 18.573 2.291 -3.129 772 HG LEU 114 HG LEU 114 16.766 0.622 -3.421 773 HD11 LEU 114 1HD1 LEU 114 16.363 -1.009 -1.637 774 HD12 LEU 114 2HD1 LEU 114 17.902 -0.568 -0.896 775 HD13 LEU 114 3HD1 LEU 114 17.874 -1.324 -2.489 776 HD21 LEU 114 3HD2 LEU 114 16.969 1.807 -0.655 777 HD22 LEU 114 1HD2 LEU 114 15.485 1.282 -1.452 778 HD23 LEU 114 2HD2 LEU 114 16.400 2.644 -2.100 779 H PHE 115 H PHE 115 20.256 2.057 -5.514 780 HA PHE 115 HA PHE 115 18.033 1.659 -7.296 781 HB2 PHE 115 1HB PHE 115 19.248 3.812 -7.114 782 HB3 PHE 115 2HB PHE 115 20.686 3.027 -7.756 783 HD1 PHE 115 HD1 PHE 115 17.168 3.851 -8.611 784 HD2 PHE 115 HD2 PHE 115 21.073 2.952 -10.042 785 HE1 PHE 115 HE1 PHE 115 16.453 4.399 -10.900 786 HE2 PHE 115 HE2 PHE 115 20.364 3.497 -12.333 787 HZ PHE 115 HZ PHE 115 18.051 4.223 -12.764 788 H GLN 116 H GLN 116 21.470 0.853 -7.329 789 HA GLN 116 HA GLN 116 21.217 -0.643 -9.791 790 HB2 GLN 116 1HB GLN 116 23.578 -0.249 -7.956 791 HB3 GLN 116 2HB GLN 116 23.616 -0.984 -9.549 792 HG2 GLN 116 1HG GLN 116 22.997 1.092 -10.586 793 HG3 GLN 116 2HG GLN 116 22.757 1.845 -9.011 794 HE21 GLN 116 2HE2 GLN 116 25.077 0.729 -11.329 795 HE22 GLN 116 1HE2 GLN 116 26.458 1.487 -10.616 796 H GLY 117 H GLY 117 19.631 -1.695 -7.843 797 HA2 GLY 117 1HA GLY 117 20.980 -4.272 -7.277 798 HA3 GLY 117 2HA GLY 117 19.802 -3.561 -6.170 799 HA PRO 118 HA PRO 118 16.091 -4.646 -8.690 800 HB2 PRO 118 1HB PRO 118 16.472 -1.767 -9.448 801 HB3 PRO 118 2HB PRO 118 14.984 -2.638 -9.126 802 HG2 PRO 118 1HG PRO 118 16.129 -1.063 -7.282 803 HG3 PRO 118 2HG PRO 118 15.236 -2.532 -6.849 804 HD2 PRO 118 1HD PRO 118 18.101 -1.998 -6.669 805 HD3 PRO 118 2HD PRO 118 17.153 -3.324 -5.970 806 H GLN 119 H GLN 119 17.527 -5.940 -10.113 807 HA GLN 119 HA GLN 119 17.751 -4.749 -12.753 808 HB2 GLN 119 1HB GLN 119 19.921 -4.357 -11.425 809 HB3 GLN 119 2HB GLN 119 20.166 -6.091 -11.547 810 HG2 GLN 119 1HG GLN 119 20.225 -5.952 -13.955 811 HG3 GLN 119 2HG GLN 119 19.866 -4.228 -13.887 812 HE21 GLN 119 2HE2 GLN 119 22.262 -6.680 -13.334 813 HE22 GLN 119 1HE2 GLN 119 23.614 -5.614 -13.201 814 H PHE 120 H PHE 120 16.295 -6.860 -11.245 815 HA PHE 120 HA PHE 120 16.952 -9.129 -12.982 816 HB2 PHE 120 1HB PHE 120 16.142 -10.615 -11.096 817 HB3 PHE 120 2HB PHE 120 17.686 -9.820 -10.827 818 HD1 PHE 120 HD1 PHE 120 17.833 -7.914 -9.255 819 HD2 PHE 120 HD2 PHE 120 14.268 -10.194 -9.699 820 HE1 PHE 120 HE1 PHE 120 17.005 -7.028 -7.115 821 HE2 PHE 120 HE2 PHE 120 13.432 -9.308 -7.562 822 HZ PHE 120 HZ PHE 120 14.800 -7.723 -6.268 823 H THR 121 H THR 121 15.336 -9.714 -14.249 824 HA THR 121 HA THR 121 12.684 -8.616 -13.697 825 HB THR 121 HB THR 121 12.398 -9.646 -16.153 826 HG1 THR 121 HG1 THR 121 15.066 -8.750 -16.291 827 HG21 THR 121 3HG2 THR 121 12.938 -7.419 -17.027 828 HG22 THR 121 1HG2 THR 121 13.767 -7.028 -15.521 829 HG23 THR 121 2HG2 THR 121 12.026 -7.311 -15.522 830 H LEU 122 H LEU 122 14.404 -11.592 -13.734 831 HA LEU 122 HA LEU 122 12.062 -13.253 -13.976 832 HB2 LEU 122 1HB LEU 122 14.889 -13.912 -13.153 833 HB3 LEU 122 2HB LEU 122 13.618 -15.099 -13.374 834 HG LEU 122 HG LEU 122 14.790 -13.325 -15.518 835 HD11 LEU 122 1HD1 LEU 122 15.602 -15.446 -16.450 836 HD12 LEU 122 2HD1 LEU 122 14.983 -16.295 -15.034 837 HD13 LEU 122 3HD1 LEU 122 16.283 -15.116 -14.858 838 HD21 LEU 122 3HD2 LEU 122 12.624 -15.419 -15.677 839 HD22 LEU 122 1HD2 LEU 122 13.394 -14.642 -17.060 840 HD23 LEU 122 2HD2 LEU 122 12.432 -13.685 -15.936 841 H ARG 123 H ARG 123 10.882 -12.147 -12.303 842 HA ARG 123 HA ARG 123 11.011 -13.568 -9.816 843 HB2 ARG 123 1HB ARG 123 11.445 -11.814 -8.330 844 HB3 ARG 123 2HB ARG 123 12.618 -11.541 -9.604 845 HG2 ARG 123 1HG ARG 123 9.992 -10.087 -9.320 846 HG3 ARG 123 2HG ARG 123 11.561 -9.469 -8.810 847 HD2 ARG 123 1HD ARG 123 12.337 -9.618 -11.151 848 HD3 ARG 123 2HD ARG 123 10.724 -10.147 -11.626 849 HE ARG 123 HE ARG 123 11.012 -7.574 -10.255 850 HH11 ARG 123 1HH1 ARG 123 10.317 -9.347 -13.206 851 HH12 ARG 123 2HH1 ARG 123 9.642 -7.968 -14.014 852 HH21 ARG 123 1HH2 ARG 123 10.153 -5.771 -11.329 853 HH22 ARG 123 2HH2 ARG 123 9.565 -5.932 -12.954 854 H HIS 124 H HIS 124 9.098 -12.884 -8.405 855 HA HIS 124 HA HIS 124 6.827 -12.445 -10.141 856 HB2 HIS 124 1HB HIS 124 7.002 -12.963 -7.170 857 HB3 HIS 124 2HB HIS 124 5.487 -12.724 -8.030 858 HD1 HIS 124 HD1 HIS 124 7.483 -15.347 -6.799 859 HD2 HIS 124 HD2 HIS 124 5.407 -14.727 -10.346 860 HE1 HIS 124 HE1 HIS 124 7.164 -17.630 -7.804 861 HE2 HIS 124 HE2 HIS 124 6.002 -17.220 -10.004 862 H TRP 125 H TRP 125 6.410 -10.470 -10.762 863 HA TRP 125 HA TRP 125 6.928 -8.178 -9.068 864 HB2 TRP 125 1HB TRP 125 7.387 -8.104 -11.503 865 HB3 TRP 125 2HB TRP 125 5.676 -8.353 -11.822 866 HD1 TRP 125 HD1 TRP 125 7.933 -5.739 -10.058 867 HE1 TRP 125 HE1 TRP 125 6.870 -3.422 -10.396 868 HE3 TRP 125 HE3 TRP 125 3.691 -7.154 -12.526 869 HZ2 TRP 125 HZ2 TRP 125 4.534 -2.337 -11.557 870 HZ3 TRP 125 HZ3 TRP 125 2.094 -5.417 -13.220 871 HH2 TRP 125 HH2 TRP 125 2.509 -3.058 -12.745 872 H LEU 126 H LEU 126 5.212 -6.643 -8.515 873 HA LEU 126 HA LEU 126 2.551 -7.817 -8.362 874 HB2 LEU 126 1HB LEU 126 3.680 -8.668 -6.413 875 HB3 LEU 126 2HB LEU 126 4.271 -7.073 -6.000 876 HG LEU 126 HG LEU 126 1.931 -6.353 -5.626 877 HD11 LEU 126 1HD1 LEU 126 1.328 -9.299 -5.912 878 HD12 LEU 126 2HD1 LEU 126 0.915 -8.066 -7.100 879 HD13 LEU 126 3HD1 LEU 126 0.180 -8.027 -5.500 880 HD21 LEU 126 3HD2 LEU 126 2.730 -8.744 -3.987 881 HD22 LEU 126 1HD2 LEU 126 1.682 -7.417 -3.491 882 HD23 LEU 126 2HD2 LEU 126 3.393 -7.123 -3.795 883 H LYS 127 H LYS 127 0.975 -6.233 -7.331 884 HA LYS 127 HA LYS 127 1.637 -3.513 -7.036 885 HB2 LYS 127 1HB LYS 127 0.316 -2.653 -8.961 886 HB3 LYS 127 2HB LYS 127 1.786 -3.480 -9.446 887 HG2 LYS 127 1HG LYS 127 0.492 -5.468 -10.014 888 HG3 LYS 127 2HG LYS 127 -0.987 -4.659 -9.498 889 HD2 LYS 127 1HD LYS 127 0.812 -3.654 -11.698 890 HD3 LYS 127 2HD LYS 127 -0.613 -4.656 -11.970 891 HE2 LYS 127 1HE LYS 127 -0.645 -1.973 -10.594 892 HE3 LYS 127 2HE LYS 127 -1.009 -2.223 -12.299 893 HZ1 LYS 127 3HZ LYS 127 -2.848 -3.661 -11.648 894 HZ2 LYS 127 1HZ LYS 127 -3.024 -2.110 -10.998 895 HZ3 LYS 127 2HZ LYS 127 -2.510 -3.385 -10.016 896 H VAL 128 H VAL 128 -0.099 -2.281 -6.253 897 HA VAL 128 HA VAL 128 -2.773 -3.151 -6.436 898 HB VAL 128 HB VAL 128 -2.123 -4.664 -4.633 899 HG11 VAL 128 1HG1 VAL 128 -1.519 -2.186 -3.067 900 HG12 VAL 128 2HG1 VAL 128 -0.358 -3.411 -3.593 901 HG13 VAL 128 3HG1 VAL 128 -1.607 -3.826 -2.421 902 HG21 VAL 128 3HG2 VAL 128 -3.982 -2.477 -3.794 903 HG22 VAL 128 1HG2 VAL 128 -3.926 -4.107 -3.124 904 HG23 VAL 128 2HG2 VAL 128 -4.384 -3.863 -4.808 Start of MODEL 3 1 H1 GLY 13 1H GLY 13 3.854 3.722 21.411 2 H2 GLY 13 2H GLY 13 3.010 5.183 21.307 3 H3 GLY 13 3H GLY 13 4.171 4.962 22.514 4 HA2 GLY 13 1HA GLY 13 4.702 5.066 19.600 5 HA3 GLY 13 2HA GLY 13 5.016 6.366 20.739 6 H SER 14 H SER 14 5.618 2.858 20.821 7 HA SER 14 HA SER 14 8.212 3.243 21.974 8 HB2 SER 14 1HB SER 14 7.000 0.716 20.828 9 HB3 SER 14 2HB SER 14 8.343 0.826 21.965 10 HG SER 14 HG SER 14 6.896 0.779 23.470 11 HA PRO 15 HA PRO 15 9.955 3.740 17.870 12 HB2 PRO 15 1HB PRO 15 12.347 4.702 18.633 13 HB3 PRO 15 2HB PRO 15 10.877 5.681 18.706 14 HG2 PRO 15 1HG PRO 15 12.323 4.267 20.897 15 HG3 PRO 15 2HG PRO 15 11.521 5.846 20.919 16 HD2 PRO 15 1HD PRO 15 10.430 3.504 21.906 17 HD3 PRO 15 2HD PRO 15 9.496 4.931 21.419 18 H GLY 16 H GLY 16 9.808 1.192 18.267 19 HA2 GLY 16 1HA GLY 16 12.445 -0.009 18.534 20 HA3 GLY 16 2HA GLY 16 10.934 -0.855 18.231 21 H ILE 17 H ILE 17 10.327 1.089 16.077 22 HA ILE 17 HA ILE 17 12.144 0.050 14.010 23 HB ILE 17 HB ILE 17 10.318 0.276 12.417 24 HG12 ILE 17 1HG1 ILE 17 8.839 1.436 14.766 25 HG13 ILE 17 2HG1 ILE 17 9.088 2.136 13.166 26 HG21 ILE 17 1HG2 ILE 17 9.534 -1.244 14.880 27 HG22 ILE 17 2HG2 ILE 17 10.525 -1.822 13.539 28 HG23 ILE 17 3HG2 ILE 17 8.818 -1.460 13.283 29 HD11 ILE 17 3HD1 ILE 17 7.336 -0.228 13.806 30 HD12 ILE 17 1HD1 ILE 17 7.593 0.467 12.207 31 HD13 ILE 17 2HD1 ILE 17 6.793 1.415 13.461 32 HA PRO 18 HA PRO 18 13.279 4.193 13.142 33 HB2 PRO 18 1HB PRO 18 13.422 4.407 10.454 34 HB3 PRO 18 2HB PRO 18 14.555 3.432 11.396 35 HG2 PRO 18 1HG PRO 18 12.202 2.578 9.784 36 HG3 PRO 18 2HG PRO 18 13.772 1.789 9.976 37 HD2 PRO 18 1HD PRO 18 11.481 1.054 11.281 38 HD3 PRO 18 2HD PRO 18 13.105 0.686 11.868 39 H VAL 19 H VAL 19 12.682 5.992 11.117 40 HA VAL 19 HA VAL 19 10.569 7.403 11.986 41 HB VAL 19 HB VAL 19 10.665 7.508 9.083 42 HG11 VAL 19 1HG1 VAL 19 11.105 9.869 9.539 43 HG12 VAL 19 2HG1 VAL 19 11.279 9.491 11.252 44 HG13 VAL 19 3HG1 VAL 19 9.724 9.263 10.453 45 HG21 VAL 19 3HG2 VAL 19 12.962 8.377 8.939 46 HG22 VAL 19 1HG2 VAL 19 12.930 6.678 9.412 47 HG23 VAL 19 2HG2 VAL 19 13.225 7.926 10.623 48 HA PRO 20 HA PRO 20 7.238 4.679 10.801 49 HB2 PRO 20 1HB PRO 20 5.474 5.832 12.625 50 HB3 PRO 20 2HB PRO 20 6.561 4.481 12.935 51 HG2 PRO 20 1HG PRO 20 6.689 7.085 14.054 52 HG3 PRO 20 2HG PRO 20 7.853 5.768 14.260 53 HD2 PRO 20 1HD PRO 20 7.962 8.124 12.465 54 HD3 PRO 20 2HD PRO 20 9.281 7.162 13.157 55 H GLY 21 H GLY 21 6.014 4.908 9.113 56 HA2 GLY 21 1HA GLY 21 4.434 7.384 8.821 57 HA3 GLY 21 2HA GLY 21 5.174 6.574 7.443 58 H LYS 22 H LYS 22 2.299 7.106 8.479 59 HA LYS 22 HA LYS 22 1.219 4.618 7.551 60 HB2 LYS 22 1HB LYS 22 -0.145 4.249 9.655 61 HB3 LYS 22 2HB LYS 22 1.563 3.849 9.769 62 HG2 LYS 22 1HG LYS 22 2.001 5.935 10.927 63 HG3 LYS 22 2HG LYS 22 0.310 6.404 10.757 64 HD2 LYS 22 1HD LYS 22 1.246 3.944 12.227 65 HD3 LYS 22 2HD LYS 22 0.911 5.492 13.000 66 HE2 LYS 22 1HE LYS 22 -1.052 3.798 11.461 67 HE3 LYS 22 2HE LYS 22 -0.994 4.001 13.210 68 HZ1 LYS 22 3HZ LYS 22 -2.692 5.395 12.262 69 HZ2 LYS 22 1HZ LYS 22 -1.579 6.130 11.225 70 HZ3 LYS 22 2HZ LYS 22 -1.465 6.367 12.896 71 H VAL 23 H VAL 23 -0.319 5.294 6.227 72 HA VAL 23 HA VAL 23 -2.115 7.400 7.235 73 HB VAL 23 HB VAL 23 -2.316 8.432 5.074 74 HG11 VAL 23 1HG1 VAL 23 0.572 8.035 5.818 75 HG12 VAL 23 2HG1 VAL 23 -0.523 9.271 6.439 76 HG13 VAL 23 3HG1 VAL 23 -0.029 9.297 4.746 77 HG21 VAL 23 3HG2 VAL 23 -0.394 6.344 4.059 78 HG22 VAL 23 1HG2 VAL 23 -0.916 7.766 3.148 79 HG23 VAL 23 2HG2 VAL 23 -2.089 6.528 3.613 80 H THR 24 H THR 24 -4.286 7.293 6.436 81 HA THR 24 HA THR 24 -4.949 4.639 5.367 82 HB THR 24 HB THR 24 -5.737 4.874 7.670 83 HG1 THR 24 HG1 THR 24 -7.018 3.800 5.922 84 HG21 THR 24 3HG2 THR 24 -7.534 6.469 8.225 85 HG22 THR 24 1HG2 THR 24 -7.348 7.213 6.637 86 HG23 THR 24 2HG2 THR 24 -6.028 7.284 7.805 87 H LEU 25 H LEU 25 -5.848 4.594 3.464 88 HA LEU 25 HA LEU 25 -7.118 7.034 2.409 89 HB2 LEU 25 1HB LEU 25 -5.683 4.974 0.753 90 HB3 LEU 25 2HB LEU 25 -6.141 6.604 0.301 91 HG LEU 25 HG LEU 25 -4.128 6.108 2.469 92 HD11 LEU 25 1HD1 LEU 25 -3.422 4.904 0.450 93 HD12 LEU 25 2HD1 LEU 25 -2.371 6.267 0.829 94 HD13 LEU 25 3HD1 LEU 25 -3.556 6.403 -0.471 95 HD21 LEU 25 3HD2 LEU 25 -5.152 8.353 2.216 96 HD22 LEU 25 1HD2 LEU 25 -4.525 8.418 0.570 97 HD23 LEU 25 2HD2 LEU 25 -3.412 8.346 1.937 98 H GLN 26 H GLN 26 -8.103 5.974 0.074 99 HA GLN 26 HA GLN 26 -9.768 3.738 0.908 100 HB2 GLN 26 1HB GLN 26 -10.734 6.391 -0.119 101 HB3 GLN 26 2HB GLN 26 -11.717 4.934 -0.217 102 HG2 GLN 26 1HG GLN 26 -11.739 4.695 2.142 103 HG3 GLN 26 2HG GLN 26 -10.544 5.969 2.337 104 HE21 GLN 26 2HE2 GLN 26 -13.166 5.738 3.505 105 HE22 GLN 26 1HE2 GLN 26 -14.052 7.142 3.006 106 H LYS 27 H LYS 27 -10.341 2.383 -0.585 107 HA LYS 27 HA LYS 27 -8.746 1.785 -2.707 108 HB2 LYS 27 1HB LYS 27 -11.701 1.236 -2.679 109 HB3 LYS 27 2HB LYS 27 -10.469 0.296 -3.476 110 HG2 LYS 27 1HG LYS 27 -10.569 0.626 -0.503 111 HG3 LYS 27 2HG LYS 27 -11.393 -0.672 -1.362 112 HD2 LYS 27 1HD LYS 27 -8.859 -0.760 -2.401 113 HD3 LYS 27 2HD LYS 27 -8.576 -0.358 -0.716 114 HE2 LYS 27 1HE LYS 27 -8.584 -2.748 -0.964 115 HE3 LYS 27 2HE LYS 27 -10.010 -2.251 -0.054 116 HZ1 LYS 27 3HZ LYS 27 -9.957 -2.901 -2.953 117 HZ2 LYS 27 1HZ LYS 27 -11.326 -2.448 -2.070 118 HZ3 LYS 27 2HZ LYS 27 -10.554 -3.913 -1.732 119 H ASP 28 H ASP 28 -8.711 2.099 -4.818 120 HA ASP 28 HA ASP 28 -9.941 4.479 -5.907 121 HB2 ASP 28 1HB ASP 28 -7.546 3.902 -6.310 122 HB3 ASP 28 2HB ASP 28 -8.061 2.468 -7.184 123 H ALA 29 H ALA 29 -10.629 4.070 -8.425 124 HA ALA 29 HA ALA 29 -13.033 2.651 -8.381 125 HB1 ALA 29 3HB ALA 29 -13.103 2.998 -10.788 126 HB2 ALA 29 1HB ALA 29 -11.392 3.418 -10.790 127 HB3 ALA 29 2HB ALA 29 -12.553 4.454 -9.961 128 H GLN 30 H GLN 30 -9.803 1.559 -8.977 129 HA GLN 30 HA GLN 30 -10.718 -0.979 -10.101 130 HB2 GLN 30 1HB GLN 30 -8.611 0.487 -10.799 131 HB3 GLN 30 2HB GLN 30 -7.918 -0.460 -9.509 132 HG2 GLN 30 1HG GLN 30 -8.372 -2.501 -10.628 133 HG3 GLN 30 2HG GLN 30 -9.336 -1.667 -11.850 134 HE21 GLN 30 2HE2 GLN 30 -6.161 -2.343 -10.683 135 HE22 GLN 30 1HE2 GLN 30 -5.305 -1.733 -12.046 136 H ASN 31 H ASN 31 -10.951 0.063 -7.301 137 HA ASN 31 HA ASN 31 -11.083 -0.695 -5.218 138 HB2 ASN 31 1HB ASN 31 -11.664 -2.927 -4.887 139 HB3 ASN 31 2HB ASN 31 -12.239 -2.521 -6.476 140 HD21 ASN 31 2HD2 ASN 31 -9.934 -4.365 -4.677 141 HD22 ASN 31 1HD2 ASN 31 -9.480 -5.419 -5.958 142 H LEU 32 H LEU 32 -8.406 -0.181 -6.346 143 HA LEU 32 HA LEU 32 -6.900 -1.529 -4.209 144 HB2 LEU 32 1HB LEU 32 -4.893 -1.327 -5.819 145 HB3 LEU 32 2HB LEU 32 -6.046 -2.598 -6.087 146 HG LEU 32 HG LEU 32 -7.099 -1.282 -7.889 147 HD11 LEU 32 1HD1 LEU 32 -5.965 0.664 -8.802 148 HD12 LEU 32 2HD1 LEU 32 -4.792 0.613 -7.487 149 HD13 LEU 32 3HD1 LEU 32 -6.485 0.963 -7.144 150 HD21 LEU 32 3HD2 LEU 32 -4.148 -1.797 -8.149 151 HD22 LEU 32 1HD2 LEU 32 -5.254 -1.547 -9.498 152 HD23 LEU 32 2HD2 LEU 32 -5.455 -2.943 -8.441 153 H ILE 33 H ILE 33 -4.443 -0.133 -4.565 154 HA ILE 33 HA ILE 33 -5.377 2.497 -3.696 155 HB ILE 33 HB ILE 33 -2.626 2.043 -3.058 156 HG12 ILE 33 1HG1 ILE 33 -4.531 -0.046 -1.965 157 HG13 ILE 33 2HG1 ILE 33 -3.288 -0.371 -3.173 158 HG21 ILE 33 1HG2 ILE 33 -4.009 3.642 -1.945 159 HG22 ILE 33 2HG2 ILE 33 -3.546 2.414 -0.765 160 HG23 ILE 33 3HG2 ILE 33 -5.164 2.391 -1.480 161 HD11 ILE 33 3HD1 ILE 33 -2.621 -1.022 -0.900 162 HD12 ILE 33 1HD1 ILE 33 -2.780 0.654 -0.381 163 HD13 ILE 33 2HD1 ILE 33 -1.562 0.214 -1.579 164 H GLY 34 H GLY 34 -3.370 0.851 -6.002 165 HA2 GLY 34 1HA GLY 34 -2.786 1.879 -8.066 166 HA3 GLY 34 2HA GLY 34 -2.865 3.451 -7.289 167 H ILE 35 H ILE 35 -1.124 0.570 -6.208 168 HA ILE 35 HA ILE 35 1.444 1.945 -6.792 169 HB ILE 35 HB ILE 35 2.362 0.896 -4.718 170 HG12 ILE 35 1HG1 ILE 35 0.434 0.555 -2.945 171 HG13 ILE 35 2HG1 ILE 35 -0.513 0.187 -4.377 172 HG21 ILE 35 1HG2 ILE 35 1.355 2.581 -3.185 173 HG22 ILE 35 2HG2 ILE 35 0.196 2.956 -4.463 174 HG23 ILE 35 3HG2 ILE 35 1.920 3.225 -4.726 175 HD11 ILE 35 3HD1 ILE 35 0.335 -1.817 -3.328 176 HD12 ILE 35 1HD1 ILE 35 1.986 -1.239 -3.542 177 HD13 ILE 35 2HD1 ILE 35 0.992 -1.616 -4.953 178 H SER 36 H SER 36 3.253 0.469 -6.601 179 HA SER 36 HA SER 36 2.680 -2.342 -7.058 180 HB2 SER 36 1HB SER 36 4.276 -0.569 -8.905 181 HB3 SER 36 2HB SER 36 4.526 -2.317 -8.841 182 HG SER 36 HG SER 36 2.036 -2.196 -9.010 183 H ILE 37 H ILE 37 3.963 -3.568 -5.883 184 HA ILE 37 HA ILE 37 6.408 -2.292 -4.865 185 HB ILE 37 HB ILE 37 6.241 -3.225 -2.736 186 HG12 ILE 37 1HG1 ILE 37 3.898 -4.910 -3.624 187 HG13 ILE 37 2HG1 ILE 37 5.546 -5.506 -3.457 188 HG21 ILE 37 1HG2 ILE 37 4.720 -1.358 -3.053 189 HG22 ILE 37 2HG2 ILE 37 4.070 -2.503 -1.880 190 HG23 ILE 37 3HG2 ILE 37 3.437 -2.471 -3.525 191 HD11 ILE 37 3HD1 ILE 37 4.246 -6.101 -1.515 192 HD12 ILE 37 1HD1 ILE 37 3.808 -4.412 -1.255 193 HD13 ILE 37 2HD1 ILE 37 5.483 -4.929 -1.067 194 H GLY 38 H GLY 38 8.222 -3.345 -4.860 195 HA2 GLY 38 1HA GLY 38 8.284 -5.935 -6.248 196 HA3 GLY 38 2HA GLY 38 9.547 -4.716 -6.343 197 H GLY 39 H GLY 39 11.134 -6.150 -5.691 198 HA2 GLY 39 1HA GLY 39 11.309 -8.345 -4.434 199 HA3 GLY 39 2HA GLY 39 12.451 -7.112 -3.953 200 H GLY 40 H GLY 40 11.674 -5.687 -2.090 201 HA2 GLY 40 1HA GLY 40 10.736 -5.408 -0.013 202 HA3 GLY 40 2HA GLY 40 9.518 -6.586 -0.477 203 H ALA 41 H ALA 41 12.947 -7.273 -0.532 204 HA ALA 41 HA ALA 41 14.248 -8.704 0.653 205 HB1 ALA 41 3HB ALA 41 13.743 -7.200 2.524 206 HB2 ALA 41 1HB ALA 41 13.977 -8.866 3.053 207 HB3 ALA 41 2HB ALA 41 12.348 -8.197 2.938 208 H GLN 42 H GLN 42 11.248 -9.484 -0.314 209 HA GLN 42 HA GLN 42 10.987 -12.113 0.755 210 HB2 GLN 42 1HB GLN 42 9.993 -10.968 -1.870 211 HB3 GLN 42 2HB GLN 42 9.494 -12.508 -1.188 212 HG2 GLN 42 1HG GLN 42 9.073 -9.866 0.187 213 HG3 GLN 42 2HG GLN 42 7.887 -10.618 -0.878 214 HE21 GLN 42 2HE2 GLN 42 6.371 -10.812 0.749 215 HE22 GLN 42 1HE2 GLN 42 6.518 -11.969 2.024 216 H TYR 43 H TYR 43 12.757 -10.597 -1.773 217 HA TYR 43 HA TYR 43 14.025 -13.139 -2.508 218 HB2 TYR 43 1HB TYR 43 14.170 -10.448 -3.897 219 HB3 TYR 43 2HB TYR 43 14.890 -11.948 -4.472 220 HD1 TYR 43 HD2 TYR 43 11.681 -10.234 -3.821 221 HD2 TYR 43 HD1 TYR 43 13.611 -13.524 -5.699 222 HE1 TYR 43 HE2 TYR 43 9.607 -10.748 -5.033 223 HE2 TYR 43 HE1 TYR 43 11.541 -14.050 -6.916 224 HH TYR 43 HH TYR 43 9.143 -13.689 -6.692 225 H CYS 44 H CYS 44 14.842 -9.723 -1.951 226 HA CYS 44 HA CYS 44 16.840 -10.361 -0.024 227 HB2 CYS 44 1HB CYS 44 17.707 -9.505 -2.775 228 HB3 CYS 44 2HB CYS 44 18.675 -9.124 -1.360 229 HG CYS 44 HG CYS 44 17.834 -12.345 -1.519 230 HA PRO 45 HA PRO 45 17.064 -5.632 -0.538 231 HB2 PRO 45 1HB PRO 45 15.857 -4.319 -2.488 232 HB3 PRO 45 2HB PRO 45 17.280 -5.310 -2.859 233 HG2 PRO 45 1HG PRO 45 14.372 -6.081 -3.063 234 HG3 PRO 45 2HG PRO 45 15.593 -6.138 -4.333 235 HD2 PRO 45 1HD PRO 45 15.014 -8.311 -2.911 236 HD3 PRO 45 2HD PRO 45 16.688 -7.958 -3.385 237 H CYS 46 H CYS 46 15.963 -4.279 0.825 238 HA CYS 46 HA CYS 46 13.390 -4.903 1.740 239 HB2 CYS 46 1HB CYS 46 14.912 -2.307 2.012 240 HB3 CYS 46 2HB CYS 46 13.510 -2.768 2.969 241 HG CYS 46 HG CYS 46 16.666 -3.395 3.519 242 H LEU 47 H LEU 47 13.763 -1.560 0.811 243 HA LEU 47 HA LEU 47 12.412 -0.124 -0.269 244 HB2 LEU 47 1HB LEU 47 12.022 -0.689 -2.700 245 HB3 LEU 47 2HB LEU 47 13.676 -0.625 -2.135 246 HG LEU 47 HG LEU 47 13.100 -3.294 -1.881 247 HD11 LEU 47 1HD1 LEU 47 10.940 -2.990 -3.028 248 HD12 LEU 47 2HD1 LEU 47 12.050 -4.027 -3.923 249 HD13 LEU 47 3HD1 LEU 47 11.799 -2.356 -4.432 250 HD21 LEU 47 3HD2 LEU 47 14.467 -3.550 -3.888 251 HD22 LEU 47 1HD2 LEU 47 15.123 -2.339 -2.789 252 HD23 LEU 47 2HD2 LEU 47 14.260 -1.835 -4.240 253 H TYR 48 H TYR 48 10.933 -3.218 -1.300 254 HA TYR 48 HA TYR 48 8.805 -3.832 -1.590 255 HB2 TYR 48 1HB TYR 48 8.128 -1.657 0.400 256 HB3 TYR 48 2HB TYR 48 7.049 -2.952 -0.123 257 HD1 TYR 48 HD1 TYR 48 10.235 -2.261 1.611 258 HD2 TYR 48 HD2 TYR 48 7.161 -5.102 0.889 259 HE1 TYR 48 HE1 TYR 48 11.198 -3.715 3.315 260 HE2 TYR 48 HE2 TYR 48 8.112 -6.570 2.618 261 HH TYR 48 HH TYR 48 10.451 -5.531 4.835 262 H ILE 49 H ILE 49 7.944 -0.354 -1.181 263 HA ILE 49 HA ILE 49 6.434 -0.657 -3.598 264 HB ILE 49 HB ILE 49 5.802 0.811 -1.601 265 HG12 ILE 49 1HG1 ILE 49 4.851 0.742 -4.055 266 HG13 ILE 49 2HG1 ILE 49 4.308 1.954 -2.908 267 HG21 ILE 49 1HG2 ILE 49 7.871 2.069 -1.421 268 HG22 ILE 49 2HG2 ILE 49 6.505 3.146 -1.717 269 HG23 ILE 49 3HG2 ILE 49 7.608 2.741 -3.033 270 HD11 ILE 49 3HD1 ILE 49 6.328 2.316 -5.107 271 HD12 ILE 49 1HD1 ILE 49 5.927 3.542 -3.903 272 HD13 ILE 49 2HD1 ILE 49 4.697 2.982 -5.038 273 H VAL 50 H VAL 50 6.931 -0.168 -5.616 274 HA VAL 50 HA VAL 50 9.558 1.081 -6.073 275 HB VAL 50 HB VAL 50 9.537 -0.254 -8.252 276 HG11 VAL 50 1HG1 VAL 50 11.033 -0.742 -6.376 277 HG12 VAL 50 2HG1 VAL 50 10.498 -2.227 -7.162 278 HG13 VAL 50 3HG1 VAL 50 9.778 -1.733 -5.629 279 HG21 VAL 50 3HG2 VAL 50 7.207 -0.941 -8.218 280 HG22 VAL 50 1HG2 VAL 50 7.477 -1.837 -6.724 281 HG23 VAL 50 2HG2 VAL 50 8.270 -2.348 -8.214 282 H GLN 51 H GLN 51 6.169 1.242 -6.830 283 HA GLN 51 HA GLN 51 6.683 3.430 -8.623 284 HB2 GLN 51 1HB GLN 51 6.730 2.165 -10.473 285 HB3 GLN 51 2HB GLN 51 6.164 0.738 -9.624 286 HG2 GLN 51 1HG GLN 51 3.862 1.635 -9.797 287 HG3 GLN 51 2HG GLN 51 4.495 2.940 -10.795 288 HE21 GLN 51 2HE2 GLN 51 3.303 2.325 -12.537 289 HE22 GLN 51 1HE2 GLN 51 3.658 0.904 -13.442 290 H VAL 52 H VAL 52 5.037 4.819 -8.696 291 HA VAL 52 HA VAL 52 2.399 3.985 -7.754 292 HB VAL 52 HB VAL 52 3.765 5.022 -5.861 293 HG11 VAL 52 1HG1 VAL 52 3.383 7.463 -7.574 294 HG12 VAL 52 2HG1 VAL 52 4.906 6.782 -6.984 295 HG13 VAL 52 3HG1 VAL 52 3.767 7.523 -5.853 296 HG21 VAL 52 3HG2 VAL 52 1.874 6.359 -5.048 297 HG22 VAL 52 1HG2 VAL 52 1.364 4.816 -5.736 298 HG23 VAL 52 2HG2 VAL 52 1.170 6.300 -6.664 299 H PHE 53 H PHE 53 0.752 5.616 -8.340 300 HA PHE 53 HA PHE 53 1.486 6.844 -10.888 301 HB2 PHE 53 1HB PHE 53 -1.243 6.213 -9.748 302 HB3 PHE 53 2HB PHE 53 -0.935 6.882 -11.349 303 HD1 PHE 53 HD2 PHE 53 0.561 5.512 -12.920 304 HD2 PHE 53 HD1 PHE 53 -1.287 3.910 -9.440 305 HE1 PHE 53 HE2 PHE 53 0.852 3.240 -13.815 306 HE2 PHE 53 HE1 PHE 53 -1.001 1.636 -10.329 307 HZ PHE 53 HZ PHE 53 0.068 1.296 -12.519 308 H ASP 54 H ASP 54 -1.133 8.509 -10.468 309 HA ASP 54 HA ASP 54 -0.033 10.475 -8.573 310 HB2 ASP 54 1HB ASP 54 0.572 11.087 -10.890 311 HB3 ASP 54 2HB ASP 54 -1.131 11.108 -11.317 312 H ASN 55 H ASN 55 -2.847 9.166 -10.142 313 HA ASN 55 HA ASN 55 -4.589 11.014 -8.716 314 HB2 ASN 55 1HB ASN 55 -5.100 9.265 -11.125 315 HB3 ASN 55 2HB ASN 55 -6.358 10.178 -10.296 316 HD21 ASN 55 2HD2 ASN 55 -3.550 10.345 -12.311 317 HD22 ASN 55 1HD2 ASN 55 -3.729 12.000 -12.770 318 H THR 56 H THR 56 -3.248 8.086 -8.309 319 HA THR 56 HA THR 56 -5.599 6.675 -7.391 320 HB THR 56 HB THR 56 -4.031 4.901 -6.758 321 HG1 THR 56 HG1 THR 56 -1.830 5.181 -6.941 322 HG21 THR 56 3HG2 THR 56 -3.127 4.397 -8.975 323 HG22 THR 56 1HG2 THR 56 -3.432 6.057 -9.471 324 HG23 THR 56 2HG2 THR 56 -4.782 4.994 -9.073 325 HA PRO 57 HA PRO 57 -5.664 8.351 -3.363 326 HB2 PRO 57 1HB PRO 57 -5.761 5.994 -1.831 327 HB3 PRO 57 2HB PRO 57 -7.149 6.873 -2.467 328 HG2 PRO 57 1HG PRO 57 -5.794 4.452 -3.539 329 HG3 PRO 57 2HG PRO 57 -7.508 4.893 -3.580 330 HD2 PRO 57 1HD PRO 57 -5.946 5.094 -5.752 331 HD3 PRO 57 2HD PRO 57 -7.238 6.266 -5.420 332 H ALA 58 H ALA 58 -3.656 5.500 -3.758 333 HA ALA 58 HA ALA 58 -1.810 5.873 -1.705 334 HB1 ALA 58 3HB ALA 58 -1.358 4.701 -4.429 335 HB2 ALA 58 1HB ALA 58 -2.018 3.840 -3.040 336 HB3 ALA 58 2HB ALA 58 -0.357 4.432 -3.001 337 H ALA 59 H ALA 59 -1.719 6.995 -5.091 338 HA ALA 59 HA ALA 59 0.817 8.289 -4.776 339 HB1 ALA 59 3HB ALA 59 0.441 9.153 -6.949 340 HB2 ALA 59 1HB ALA 59 -1.299 8.899 -6.821 341 HB3 ALA 59 2HB ALA 59 -0.215 7.517 -6.933 342 H LEU 60 H LEU 60 -2.460 9.486 -5.213 343 HA LEU 60 HA LEU 60 -1.897 12.168 -5.028 344 HB2 LEU 60 1HB LEU 60 -4.096 12.576 -5.004 345 HB3 LEU 60 2HB LEU 60 -3.916 11.107 -5.914 346 HG LEU 60 HG LEU 60 -4.621 10.157 -3.481 347 HD11 LEU 60 1HD1 LEU 60 -4.807 12.647 -2.893 348 HD12 LEU 60 2HD1 LEU 60 -6.156 11.586 -2.449 349 HD13 LEU 60 3HD1 LEU 60 -6.275 12.624 -3.874 350 HD21 LEU 60 3HD2 LEU 60 -6.822 9.891 -4.476 351 HD22 LEU 60 1HD2 LEU 60 -5.563 9.613 -5.680 352 HD23 LEU 60 2HD2 LEU 60 -6.444 11.139 -5.664 353 H ASP 61 H ASP 61 -3.720 10.708 -2.369 354 HA ASP 61 HA ASP 61 -2.627 12.766 -0.593 355 HB2 ASP 61 1HB ASP 61 -5.098 12.348 -0.673 356 HB3 ASP 61 2HB ASP 61 -4.808 10.718 -0.082 357 H GLY 62 H GLY 62 -2.094 9.771 -1.655 358 HA2 GLY 62 1HA GLY 62 -1.918 8.183 0.677 359 HA3 GLY 62 2HA GLY 62 -1.176 7.800 -0.860 360 H THR 63 H THR 63 0.596 10.000 -0.940 361 HA THR 63 HA THR 63 2.797 10.335 -0.543 362 HB THR 63 HB THR 63 3.425 10.886 1.769 363 HG1 THR 63 HG1 THR 63 1.285 9.318 2.362 364 HG21 THR 63 3HG2 THR 63 2.380 12.535 0.412 365 HG22 THR 63 1HG2 THR 63 1.689 12.664 2.031 366 HG23 THR 63 2HG2 THR 63 0.786 11.862 0.739 367 H VAL 64 H VAL 64 2.002 7.757 -0.980 368 HA VAL 64 HA VAL 64 4.163 6.279 0.355 369 HB VAL 64 HB VAL 64 2.875 4.174 -0.039 370 HG11 VAL 64 1HG1 VAL 64 1.820 4.415 2.022 371 HG12 VAL 64 2HG1 VAL 64 1.429 6.109 1.712 372 HG13 VAL 64 3HG1 VAL 64 3.097 5.636 2.028 373 HG21 VAL 64 3HG2 VAL 64 0.451 4.337 -0.303 374 HG22 VAL 64 1HG2 VAL 64 1.268 5.033 -1.705 375 HG23 VAL 64 2HG2 VAL 64 0.573 6.089 -0.474 376 H ALA 65 H ALA 65 4.962 7.582 -1.484 377 HA ALA 65 HA ALA 65 4.533 6.473 -4.127 378 HB1 ALA 65 3HB ALA 65 5.939 8.290 -4.913 379 HB2 ALA 65 1HB ALA 65 6.347 8.714 -3.252 380 HB3 ALA 65 2HB ALA 65 4.691 8.894 -3.828 381 H ALA 66 H ALA 66 6.778 6.534 -5.439 382 HA ALA 66 HA ALA 66 7.888 4.052 -4.817 383 HB1 ALA 66 3HB ALA 66 9.126 6.115 -6.617 384 HB2 ALA 66 1HB ALA 66 7.719 5.151 -7.068 385 HB3 ALA 66 2HB ALA 66 9.258 4.358 -6.721 386 H GLY 67 H GLY 67 9.375 3.493 -3.378 387 HA2 GLY 67 1HA GLY 67 11.781 3.833 -2.868 388 HA3 GLY 67 2HA GLY 67 11.378 5.521 -2.629 389 H ASP 68 H ASP 68 8.768 4.386 -1.291 390 HA ASP 68 HA ASP 68 9.968 4.563 1.339 391 HB2 ASP 68 1HB ASP 68 7.103 4.463 0.421 392 HB3 ASP 68 2HB ASP 68 7.563 4.484 2.111 393 H GLU 69 H GLU 69 9.790 3.025 2.958 394 HA GLU 69 HA GLU 69 9.787 0.316 1.872 395 HB2 GLU 69 1HB GLU 69 10.823 1.360 4.512 396 HB3 GLU 69 2HB GLU 69 10.991 -0.291 3.933 397 HG2 GLU 69 1HG GLU 69 12.316 0.513 2.039 398 HG3 GLU 69 2HG GLU 69 12.163 2.162 2.643 399 H ILE 70 H ILE 70 7.720 -0.341 1.831 400 HA ILE 70 HA ILE 70 5.899 0.079 4.022 401 HB ILE 70 HB ILE 70 5.719 -1.535 1.483 402 HG12 ILE 70 1HG1 ILE 70 3.780 0.044 1.094 403 HG13 ILE 70 2HG1 ILE 70 4.295 0.907 2.537 404 HG21 ILE 70 1HG2 ILE 70 3.630 -1.391 3.654 405 HG22 ILE 70 2HG2 ILE 70 4.541 -2.822 3.170 406 HG23 ILE 70 3HG2 ILE 70 3.398 -2.085 2.048 407 HD11 ILE 70 3HD1 ILE 70 6.294 1.603 1.534 408 HD12 ILE 70 1HD1 ILE 70 5.030 1.861 0.332 409 HD13 ILE 70 2HD1 ILE 70 6.108 0.469 0.198 410 H THR 71 H THR 71 5.319 -1.326 5.646 411 HA THR 71 HA THR 71 6.728 -3.909 5.673 412 HB THR 71 HB THR 71 7.894 -2.356 7.151 413 HG1 THR 71 HG1 THR 71 7.304 -3.672 9.212 414 HG21 THR 71 3HG2 THR 71 6.820 -1.468 9.155 415 HG22 THR 71 1HG2 THR 71 5.282 -2.169 8.651 416 HG23 THR 71 2HG2 THR 71 6.018 -0.881 7.699 417 H GLY 72 H GLY 72 3.776 -2.164 6.340 418 HA2 GLY 72 1HA GLY 72 2.485 -4.720 6.896 419 HA3 GLY 72 2HA GLY 72 2.398 -3.509 8.163 420 H VAL 73 H VAL 73 0.337 -4.825 6.490 421 HA VAL 73 HA VAL 73 -0.961 -2.419 5.436 422 HB VAL 73 HB VAL 73 -0.948 -3.775 3.557 423 HG11 VAL 73 1HG1 VAL 73 -1.287 -6.260 5.237 424 HG12 VAL 73 2HG1 VAL 73 0.285 -5.610 4.788 425 HG13 VAL 73 3HG1 VAL 73 -0.826 -6.163 3.536 426 HG21 VAL 73 3HG2 VAL 73 -3.074 -5.073 3.458 427 HG22 VAL 73 1HG2 VAL 73 -3.262 -3.423 4.067 428 HG23 VAL 73 2HG2 VAL 73 -3.249 -4.782 5.195 429 H ASN 74 H ASN 74 -2.629 -1.757 6.669 430 HA ASN 74 HA ASN 74 -4.358 -1.749 8.152 431 HB2 ASN 74 1HB ASN 74 -4.659 -4.467 6.901 432 HB3 ASN 74 2HB ASN 74 -5.798 -3.876 8.097 433 HD21 ASN 74 2HD2 ASN 74 -7.486 -3.882 6.627 434 HD22 ASN 74 1HD2 ASN 74 -7.612 -2.704 5.369 435 H GLY 75 H GLY 75 -1.667 -2.837 9.003 436 HA2 GLY 75 1HA GLY 75 -1.090 -3.051 11.307 437 HA3 GLY 75 2HA GLY 75 -2.628 -3.850 11.581 438 H ARG 76 H ARG 76 -1.803 -5.418 8.914 439 HA ARG 76 HA ARG 76 -0.269 -7.396 10.404 440 HB2 ARG 76 1HB ARG 76 -1.137 -8.999 8.795 441 HB3 ARG 76 2HB ARG 76 -2.430 -8.166 9.618 442 HG2 ARG 76 1HG ARG 76 -2.441 -6.632 7.575 443 HG3 ARG 76 2HG ARG 76 -1.506 -7.904 6.789 444 HD2 ARG 76 1HD ARG 76 -3.862 -8.200 6.304 445 HD3 ARG 76 2HD ARG 76 -3.290 -9.515 7.329 446 HE ARG 76 HE ARG 76 -4.254 -7.701 9.100 447 HH11 ARG 76 1HH1 ARG 76 -5.619 -9.302 6.300 448 HH12 ARG 76 2HH1 ARG 76 -7.243 -9.235 6.902 449 HH21 ARG 76 1HH2 ARG 76 -6.379 -7.612 9.888 450 HH22 ARG 76 2HH2 ARG 76 -7.680 -8.260 8.938 451 H SER 77 H SER 77 1.702 -7.957 9.792 452 HA SER 77 HA SER 77 3.204 -6.449 7.960 453 HB2 SER 77 1HB SER 77 4.909 -8.296 8.294 454 HB3 SER 77 2HB SER 77 4.332 -7.523 9.769 455 HG SER 77 HG SER 77 2.960 -9.291 10.101 456 H ILE 78 H ILE 78 3.807 -6.741 5.909 457 HA ILE 78 HA ILE 78 2.199 -8.487 4.276 458 HB ILE 78 HB ILE 78 3.869 -7.564 2.456 459 HG12 ILE 78 1HG1 ILE 78 4.604 -5.256 2.998 460 HG13 ILE 78 2HG1 ILE 78 4.063 -5.483 4.654 461 HG21 ILE 78 1HG2 ILE 78 1.470 -7.128 2.695 462 HG22 ILE 78 2HG2 ILE 78 2.364 -5.713 2.137 463 HG23 ILE 78 3HG2 ILE 78 1.849 -5.827 3.818 464 HD11 ILE 78 3HD1 ILE 78 6.216 -7.158 3.421 465 HD12 ILE 78 1HD1 ILE 78 5.801 -6.975 5.126 466 HD13 ILE 78 2HD1 ILE 78 6.534 -5.631 4.245 467 H LYS 79 H LYS 79 5.217 -8.417 5.700 468 HA LYS 79 HA LYS 79 6.618 -10.320 4.134 469 HB2 LYS 79 1HB LYS 79 7.679 -8.659 5.640 470 HB3 LYS 79 2HB LYS 79 7.021 -9.515 7.021 471 HG2 LYS 79 1HG LYS 79 9.381 -10.035 6.665 472 HG3 LYS 79 2HG LYS 79 8.365 -11.467 6.493 473 HD2 LYS 79 1HD LYS 79 10.073 -11.389 4.752 474 HD3 LYS 79 2HD LYS 79 8.459 -11.249 4.060 475 HE2 LYS 79 1HE LYS 79 9.958 -9.686 2.983 476 HE3 LYS 79 2HE LYS 79 8.753 -8.809 3.921 477 HZ1 LYS 79 3HZ LYS 79 11.576 -9.316 4.686 478 HZ2 LYS 79 1HZ LYS 79 10.430 -8.597 5.702 479 HZ3 LYS 79 2HZ LYS 79 10.886 -7.827 4.268 480 H GLY 80 H GLY 80 4.184 -10.521 6.524 481 HA2 GLY 80 1HA GLY 80 4.670 -13.181 7.402 482 HA3 GLY 80 2HA GLY 80 3.165 -12.289 7.567 483 H LYS 81 H LYS 81 3.439 -11.878 4.470 484 HA LYS 81 HA LYS 81 2.768 -14.609 3.678 485 HB2 LYS 81 1HB LYS 81 0.772 -13.919 2.468 486 HB3 LYS 81 2HB LYS 81 0.625 -13.577 4.179 487 HG2 LYS 81 1HG LYS 81 1.415 -11.486 2.182 488 HG3 LYS 81 2HG LYS 81 -0.264 -11.842 2.572 489 HD2 LYS 81 1HD LYS 81 1.735 -11.151 4.702 490 HD3 LYS 81 2HD LYS 81 0.897 -9.917 3.782 491 HE2 LYS 81 1HE LYS 81 -0.276 -10.299 5.857 492 HE3 LYS 81 2HE LYS 81 -1.264 -10.843 4.508 493 HZ1 LYS 81 3HZ LYS 81 -1.261 -12.367 6.425 494 HZ2 LYS 81 1HZ LYS 81 0.389 -12.638 6.199 495 HZ3 LYS 81 2HZ LYS 81 -0.718 -13.105 5.008 496 H THR 82 H THR 82 1.779 -13.065 1.084 497 HA THR 82 HA THR 82 4.471 -12.820 -0.041 498 HB THR 82 HB THR 82 3.784 -14.300 -1.965 499 HG1 THR 82 HG1 THR 82 1.805 -15.241 -0.127 500 HG21 THR 82 3HG2 THR 82 4.296 -16.399 -0.797 501 HG22 THR 82 1HG2 THR 82 3.998 -15.605 0.749 502 HG23 THR 82 2HG2 THR 82 5.346 -15.086 -0.263 503 H LYS 83 H LYS 83 4.308 -12.243 -2.425 504 HA LYS 83 HA LYS 83 3.242 -9.744 -2.684 505 HB2 LYS 83 1HB LYS 83 3.291 -10.988 -5.269 506 HB3 LYS 83 2HB LYS 83 4.409 -9.820 -4.583 507 HG2 LYS 83 1HG LYS 83 5.667 -11.618 -3.541 508 HG3 LYS 83 2HG LYS 83 4.540 -12.799 -4.194 509 HD2 LYS 83 1HD LYS 83 6.522 -12.724 -5.566 510 HD3 LYS 83 2HD LYS 83 5.154 -12.077 -6.471 511 HE2 LYS 83 1HE LYS 83 5.891 -9.821 -6.050 512 HE3 LYS 83 2HE LYS 83 7.190 -10.404 -5.007 513 HZ1 LYS 83 3HZ LYS 83 6.920 -10.960 -7.907 514 HZ2 LYS 83 1HZ LYS 83 8.163 -11.525 -6.904 515 HZ3 LYS 83 2HZ LYS 83 8.005 -9.868 -7.208 516 H VAL 84 H VAL 84 1.846 -12.702 -4.110 517 HA VAL 84 HA VAL 84 -0.410 -11.492 -5.173 518 HB VAL 84 HB VAL 84 0.314 -13.670 -5.892 519 HG11 VAL 84 1HG1 VAL 84 1.208 -14.492 -3.783 520 HG12 VAL 84 2HG1 VAL 84 0.085 -15.652 -4.493 521 HG13 VAL 84 3HG1 VAL 84 -0.427 -14.640 -3.143 522 HG21 VAL 84 3HG2 VAL 84 -2.355 -13.813 -4.543 523 HG22 VAL 84 1HG2 VAL 84 -1.801 -14.860 -5.847 524 HG23 VAL 84 2HG2 VAL 84 -2.027 -13.136 -6.136 525 H GLU 85 H GLU 85 0.149 -12.900 -1.983 526 HA GLU 85 HA GLU 85 -2.564 -12.756 -1.153 527 HB2 GLU 85 1HB GLU 85 -0.064 -12.968 0.522 528 HB3 GLU 85 2HB GLU 85 -1.703 -13.295 1.065 529 HG2 GLU 85 1HG GLU 85 -1.836 -15.120 -0.592 530 HG3 GLU 85 2HG GLU 85 -0.149 -14.828 -0.999 531 H VAL 86 H VAL 86 0.191 -10.569 -0.864 532 HA VAL 86 HA VAL 86 -1.004 -8.955 1.141 533 HB VAL 86 HB VAL 86 0.714 -7.295 0.672 534 HG11 VAL 86 1HG1 VAL 86 1.220 -9.280 2.054 535 HG12 VAL 86 2HG1 VAL 86 2.641 -8.628 1.242 536 HG13 VAL 86 3HG1 VAL 86 1.859 -10.079 0.615 537 HG21 VAL 86 3HG2 VAL 86 0.868 -7.442 -1.733 538 HG22 VAL 86 1HG2 VAL 86 1.533 -9.072 -1.598 539 HG23 VAL 86 2HG2 VAL 86 2.447 -7.692 -0.981 540 H ALA 87 H ALA 87 -0.722 -8.515 -2.379 541 HA ALA 87 HA ALA 87 -2.343 -6.241 -2.642 542 HB1 ALA 87 3HB ALA 87 -1.060 -7.203 -4.496 543 HB2 ALA 87 1HB ALA 87 -2.754 -6.965 -4.922 544 HB3 ALA 87 2HB ALA 87 -2.158 -8.582 -4.540 545 H LYS 88 H LYS 88 -3.174 -9.657 -2.323 546 HA LYS 88 HA LYS 88 -5.937 -9.435 -2.778 547 HB2 LYS 88 1HB LYS 88 -4.779 -11.583 -2.762 548 HB3 LYS 88 2HB LYS 88 -4.479 -11.416 -1.040 549 HG2 LYS 88 1HG LYS 88 -6.764 -11.605 -0.533 550 HG3 LYS 88 2HG LYS 88 -7.235 -11.427 -2.223 551 HD2 LYS 88 1HD LYS 88 -5.960 -13.522 -2.701 552 HD3 LYS 88 2HD LYS 88 -5.765 -13.737 -0.962 553 HE2 LYS 88 1HE LYS 88 -8.389 -13.593 -2.443 554 HE3 LYS 88 2HE LYS 88 -7.627 -15.063 -1.846 555 HZ1 LYS 88 3HZ LYS 88 -8.702 -12.819 -0.230 556 HZ2 LYS 88 1HZ LYS 88 -7.785 -14.091 0.412 557 HZ3 LYS 88 2HZ LYS 88 -9.280 -14.403 -0.305 558 H MET 89 H MET 89 -4.127 -9.563 0.292 559 HA MET 89 HA MET 89 -6.180 -9.178 2.068 560 HB2 MET 89 1HB MET 89 -3.357 -8.232 2.142 561 HB3 MET 89 2HB MET 89 -4.455 -8.078 3.509 562 HG2 MET 89 1HG MET 89 -3.781 -10.659 2.136 563 HG3 MET 89 2HG MET 89 -3.034 -10.063 3.596 564 HE1 MET 89 3HE MET 89 -5.325 -13.067 4.740 565 HE2 MET 89 1HE MET 89 -3.676 -12.444 4.729 566 HE3 MET 89 2HE MET 89 -4.454 -12.906 3.216 567 H ILE 90 H ILE 90 -4.363 -6.773 0.274 568 HA ILE 90 HA ILE 90 -5.510 -4.493 1.452 569 HB ILE 90 HB ILE 90 -4.036 -4.970 -1.119 570 HG12 ILE 90 1HG1 ILE 90 -3.337 -3.334 1.325 571 HG13 ILE 90 2HG1 ILE 90 -2.919 -5.033 1.140 572 HG21 ILE 90 1HG2 ILE 90 -4.079 -2.701 -1.717 573 HG22 ILE 90 2HG2 ILE 90 -4.777 -2.217 -0.166 574 HG23 ILE 90 3HG2 ILE 90 -5.763 -3.091 -1.341 575 HD11 ILE 90 3HD1 ILE 90 -1.503 -4.533 -0.723 576 HD12 ILE 90 1HD1 ILE 90 -1.070 -3.489 0.628 577 HD13 ILE 90 2HD1 ILE 90 -2.018 -2.848 -0.715 578 H GLN 91 H GLN 91 -6.347 -6.205 -1.596 579 HA GLN 91 HA GLN 91 -8.499 -4.413 -2.121 580 HB2 GLN 91 1HB GLN 91 -9.064 -5.880 -3.928 581 HB3 GLN 91 2HB GLN 91 -7.335 -5.634 -3.907 582 HG2 GLN 91 1HG GLN 91 -6.929 -7.793 -3.158 583 HG3 GLN 91 2HG GLN 91 -8.597 -8.032 -2.640 584 HE21 GLN 91 2HE2 GLN 91 -8.884 -9.874 -3.832 585 HE22 GLN 91 1HE2 GLN 91 -8.976 -9.876 -5.560 586 H GLU 92 H GLU 92 -8.168 -7.465 -0.450 587 HA GLU 92 HA GLU 92 -10.796 -8.396 -0.577 588 HB2 GLU 92 1HB GLU 92 -8.852 -9.720 0.143 589 HB3 GLU 92 2HB GLU 92 -8.771 -8.799 1.629 590 HG2 GLU 92 1HG GLU 92 -9.854 -10.737 2.230 591 HG3 GLU 92 2HG GLU 92 -11.159 -9.586 1.999 592 H VAL 93 H VAL 93 -9.212 -6.538 1.997 593 HA VAL 93 HA VAL 93 -11.313 -6.335 3.771 594 HB VAL 93 HB VAL 93 -10.264 -4.373 4.707 595 HG11 VAL 93 1HG1 VAL 93 -9.193 -6.508 5.124 596 HG12 VAL 93 2HG1 VAL 93 -7.984 -5.229 5.014 597 HG13 VAL 93 3HG1 VAL 93 -8.228 -6.333 3.657 598 HG21 VAL 93 3HG2 VAL 93 -8.576 -4.262 2.207 599 HG22 VAL 93 1HG2 VAL 93 -8.399 -3.229 3.626 600 HG23 VAL 93 2HG2 VAL 93 -9.856 -3.126 2.634 601 H LYS 94 H LYS 94 -10.727 -4.472 0.870 602 HA LYS 94 HA LYS 94 -12.029 -3.141 -0.408 603 HB2 LYS 94 1HB LYS 94 -14.233 -4.311 1.281 604 HB3 LYS 94 2HB LYS 94 -14.517 -3.237 -0.079 605 HG2 LYS 94 1HG LYS 94 -13.367 -4.859 -1.545 606 HG3 LYS 94 2HG LYS 94 -13.232 -5.953 -0.168 607 HD2 LYS 94 1HD LYS 94 -15.673 -5.976 0.043 608 HD3 LYS 94 2HD LYS 94 -15.800 -4.888 -1.340 609 HE2 LYS 94 1HE LYS 94 -14.700 -6.587 -2.744 610 HE3 LYS 94 2HE LYS 94 -14.650 -7.674 -1.359 611 HZ1 LYS 94 3HZ LYS 94 -17.119 -7.487 -1.285 612 HZ2 LYS 94 1HZ LYS 94 -16.521 -8.251 -2.670 613 HZ3 LYS 94 2HZ LYS 94 -17.058 -6.652 -2.752 614 H GLY 95 H GLY 95 -12.815 -1.060 -0.524 615 HA2 GLY 95 1HA GLY 95 -14.011 0.798 0.258 616 HA3 GLY 95 2HA GLY 95 -13.966 0.127 1.878 617 H GLU 96 H GLU 96 -11.312 -0.205 2.353 618 HA GLU 96 HA GLU 96 -10.213 2.474 2.072 619 HB2 GLU 96 1HB GLU 96 -9.868 2.689 4.443 620 HB3 GLU 96 2HB GLU 96 -11.570 2.336 4.170 621 HG2 GLU 96 1HG GLU 96 -11.181 0.007 4.674 622 HG3 GLU 96 2HG GLU 96 -9.484 0.321 4.934 623 H VAL 97 H VAL 97 -8.058 2.446 3.304 624 HA VAL 97 HA VAL 97 -6.657 -0.099 3.244 625 HB VAL 97 HB VAL 97 -4.853 0.598 1.836 626 HG11 VAL 97 1HG1 VAL 97 -7.359 1.447 0.395 627 HG12 VAL 97 2HG1 VAL 97 -6.864 -0.229 0.650 628 HG13 VAL 97 3HG1 VAL 97 -5.864 0.846 -0.327 629 HG21 VAL 97 3HG2 VAL 97 -6.191 3.289 1.690 630 HG22 VAL 97 1HG2 VAL 97 -4.786 2.805 0.741 631 HG23 VAL 97 2HG2 VAL 97 -4.671 2.904 2.497 632 H THR 98 H THR 98 -4.787 -0.064 4.568 633 HA THR 98 HA THR 98 -4.122 2.493 5.833 634 HB THR 98 HB THR 98 -4.478 -0.084 7.368 635 HG1 THR 98 HG1 THR 98 -6.068 2.121 7.943 636 HG21 THR 98 3HG2 THR 98 -2.757 1.387 8.289 637 HG22 THR 98 1HG2 THR 98 -4.171 1.332 9.340 638 HG23 THR 98 2HG2 THR 98 -3.903 2.727 8.296 639 H ILE 99 H ILE 99 -2.115 2.796 5.105 640 HA ILE 99 HA ILE 99 -0.364 0.489 4.727 641 HB ILE 99 HB ILE 99 1.175 2.399 3.769 642 HG12 ILE 99 1HG1 ILE 99 -0.635 4.123 4.485 643 HG13 ILE 99 2HG1 ILE 99 0.152 4.303 2.925 644 HG21 ILE 99 1HG2 ILE 99 0.211 1.988 1.535 645 HG22 ILE 99 2HG2 ILE 99 -1.189 1.239 2.306 646 HG23 ILE 99 3HG2 ILE 99 0.409 0.515 2.487 647 HD11 ILE 99 3HD1 ILE 99 -1.763 3.372 1.803 648 HD12 ILE 99 1HD1 ILE 99 -2.264 4.704 2.842 649 HD13 ILE 99 2HD1 ILE 99 -2.542 3.039 3.349 650 H HIS 100 H HIS 100 1.258 0.030 6.020 651 HA HIS 100 HA HIS 100 2.247 2.134 7.835 652 HB2 HIS 100 1HB HIS 100 2.094 -0.866 8.186 653 HB3 HIS 100 2HB HIS 100 3.133 0.139 9.186 654 HD1 HIS 100 HD1 HIS 100 1.977 -0.012 11.393 655 HD2 HIS 100 HD2 HIS 100 -0.640 0.945 8.306 656 HE1 HIS 100 HE1 HIS 100 -0.215 0.506 12.500 657 HE2 HIS 100 HE2 HIS 100 -1.746 1.213 10.634 658 H TYR 101 H TYR 101 4.219 2.845 7.371 659 HA TYR 101 HA TYR 101 6.141 1.059 6.094 660 HB2 TYR 101 1HB TYR 101 6.686 2.881 4.420 661 HB3 TYR 101 2HB TYR 101 5.162 2.043 4.166 662 HD1 TYR 101 HD2 TYR 101 3.018 3.192 4.898 663 HD2 TYR 101 HD1 TYR 101 6.749 5.225 4.673 664 HE1 TYR 101 HE2 TYR 101 1.834 5.345 4.837 665 HE2 TYR 101 HE1 TYR 101 5.570 7.381 4.612 666 HH TYR 101 HH TYR 101 3.293 8.218 3.933 667 H ASN 102 H ASN 102 8.330 1.872 6.146 668 HA ASN 102 HA ASN 102 8.847 3.985 8.086 669 HB2 ASN 102 1HB ASN 102 9.906 1.160 8.454 670 HB3 ASN 102 2HB ASN 102 10.314 2.550 9.456 671 HD21 ASN 102 2HD2 ASN 102 8.768 3.406 10.852 672 HD22 ASN 102 1HD2 ASN 102 7.399 2.473 11.350 673 H LYS 103 H LYS 103 11.609 3.584 8.348 674 HA LYS 103 HA LYS 103 12.640 3.481 5.638 675 HB2 LYS 103 1HB LYS 103 12.671 6.063 7.224 676 HB3 LYS 103 2HB LYS 103 13.614 5.777 5.771 677 HG2 LYS 103 1HG LYS 103 11.838 6.844 4.830 678 HG3 LYS 103 2HG LYS 103 11.215 5.200 4.793 679 HD2 LYS 103 1HD LYS 103 10.022 5.609 6.885 680 HD3 LYS 103 2HD LYS 103 10.652 7.262 6.917 681 HE2 LYS 103 1HE LYS 103 9.550 7.737 4.819 682 HE3 LYS 103 2HE LYS 103 8.975 6.086 4.724 683 HZ1 LYS 103 3HZ LYS 103 8.251 8.016 6.858 684 HZ2 LYS 103 1HZ LYS 103 7.626 6.457 6.672 685 HZ3 LYS 103 2HZ LYS 103 7.279 7.652 5.525 686 H LEU 104 H LEU 104 14.215 2.069 6.073 687 HA LEU 104 HA LEU 104 15.683 2.478 8.589 688 HB2 LEU 104 1HB LEU 104 14.134 0.423 8.178 689 HB3 LEU 104 2HB LEU 104 15.478 -0.171 7.224 690 HG LEU 104 HG LEU 104 16.696 -0.713 9.043 691 HD11 LEU 104 1HD1 LEU 104 15.563 1.692 10.480 692 HD12 LEU 104 2HD1 LEU 104 17.118 1.626 9.637 693 HD13 LEU 104 3HD1 LEU 104 16.847 0.638 11.079 694 HD21 LEU 104 3HD2 LEU 104 13.965 -0.336 10.257 695 HD22 LEU 104 1HD2 LEU 104 15.284 -1.225 11.025 696 HD23 LEU 104 2HD2 LEU 104 14.605 -1.797 9.501 697 H GLN 105 H GLN 105 17.812 0.909 8.355 698 HA GLN 105 HA GLN 105 19.230 2.265 6.219 699 HB2 GLN 105 1HB GLN 105 20.206 1.307 8.891 700 HB3 GLN 105 2HB GLN 105 21.263 1.948 7.643 701 HG2 GLN 105 1HG GLN 105 19.048 3.405 9.062 702 HG3 GLN 105 2HG GLN 105 20.781 3.649 9.268 703 HE21 GLN 105 2HE2 GLN 105 21.949 4.677 7.638 704 HE22 GLN 105 1HE2 GLN 105 21.175 5.635 6.425 705 H ALA 106 H ALA 106 20.278 -0.409 8.112 706 HA ALA 106 HA ALA 106 21.122 -2.450 7.655 707 HB1 ALA 106 3HB ALA 106 18.805 -2.907 7.013 708 HB2 ALA 106 1HB ALA 106 19.958 -3.843 6.058 709 HB3 ALA 106 2HB ALA 106 19.175 -2.424 5.358 710 H ASP 107 H ASP 107 21.873 -3.876 5.677 711 HA ASP 107 HA ASP 107 23.036 -2.649 3.412 712 HB2 ASP 107 1HB ASP 107 24.598 -1.664 5.036 713 HB3 ASP 107 2HB ASP 107 24.835 -3.230 5.798 714 HA PRO 108 HA PRO 108 22.961 -6.821 1.813 715 HB2 PRO 108 1HB PRO 108 25.946 -6.465 1.864 716 HB3 PRO 108 2HB PRO 108 24.947 -7.275 0.656 717 HG2 PRO 108 1HG PRO 108 25.770 -4.739 0.321 718 HG3 PRO 108 2HG PRO 108 24.184 -5.288 -0.249 719 HD2 PRO 108 1HD PRO 108 24.824 -3.436 1.923 720 HD3 PRO 108 2HD PRO 108 23.257 -3.760 1.153 721 H LYS 109 H LYS 109 25.677 -6.292 4.060 722 HA LYS 109 HA LYS 109 25.855 -8.886 5.084 723 HB2 LYS 109 1HB LYS 109 26.967 -7.828 7.039 724 HB3 LYS 109 2HB LYS 109 27.608 -7.285 5.495 725 HG2 LYS 109 1HG LYS 109 26.359 -5.213 5.677 726 HG3 LYS 109 2HG LYS 109 25.609 -5.771 7.175 727 HD2 LYS 109 1HD LYS 109 27.420 -4.245 7.685 728 HD3 LYS 109 2HD LYS 109 27.853 -5.870 8.217 729 HE2 LYS 109 1HE LYS 109 29.766 -4.889 7.163 730 HE3 LYS 109 2HE LYS 109 29.141 -6.152 6.109 731 HZ1 LYS 109 3HZ LYS 109 27.963 -4.344 4.868 732 HZ2 LYS 109 1HZ LYS 109 29.655 -4.293 4.764 733 HZ3 LYS 109 2HZ LYS 109 28.840 -3.224 5.786 734 H GLN 110 H GLN 110 24.041 -6.122 6.318 735 HA GLN 110 HA GLN 110 22.880 -7.628 8.484 736 HB2 GLN 110 1HB GLN 110 22.728 -4.790 7.555 737 HB3 GLN 110 2HB GLN 110 21.749 -5.389 8.869 738 HG2 GLN 110 1HG GLN 110 24.734 -5.294 8.758 739 HG3 GLN 110 2HG GLN 110 23.679 -4.274 9.722 740 HE21 GLN 110 2HE2 GLN 110 25.091 -7.422 9.396 741 HE22 GLN 110 1HE2 GLN 110 24.655 -8.001 10.963 742 H LEU 111 H LEU 111 22.252 -7.077 5.290 743 HA LEU 111 HA LEU 111 19.395 -6.827 5.389 744 HB2 LEU 111 1HB LEU 111 20.751 -5.724 3.662 745 HB3 LEU 111 2HB LEU 111 21.349 -7.281 3.131 746 HG LEU 111 HG LEU 111 19.550 -6.125 1.716 747 HD11 LEU 111 1HD1 LEU 111 18.501 -8.250 1.123 748 HD12 LEU 111 2HD1 LEU 111 19.139 -8.974 2.600 749 HD13 LEU 111 3HD1 LEU 111 20.244 -8.419 1.342 750 HD21 LEU 111 3HD2 LEU 111 17.793 -7.218 3.908 751 HD22 LEU 111 1HD2 LEU 111 17.243 -6.546 2.373 752 HD23 LEU 111 2HD2 LEU 111 18.058 -5.511 3.547 753 H GLU 112 H GLU 112 21.760 -9.326 4.517 754 HA GLU 112 HA GLU 112 19.831 -11.354 4.043 755 HB2 GLU 112 1HB GLU 112 21.777 -12.903 4.279 756 HB3 GLU 112 2HB GLU 112 22.035 -11.599 3.125 757 HG2 GLU 112 1HG GLU 112 23.390 -10.402 4.661 758 HG3 GLU 112 2HG GLU 112 22.971 -11.508 5.969 759 H VAL 113 H VAL 113 21.268 -10.021 6.879 760 HA VAL 113 HA VAL 113 20.683 -12.053 8.743 761 HB VAL 113 HB VAL 113 20.794 -9.049 9.103 762 HG11 VAL 113 1HG1 VAL 113 19.518 -10.048 10.918 763 HG12 VAL 113 2HG1 VAL 113 21.091 -9.489 11.489 764 HG13 VAL 113 3HG1 VAL 113 20.815 -11.209 11.207 765 HG21 VAL 113 3HG2 VAL 113 22.874 -10.034 8.321 766 HG22 VAL 113 1HG2 VAL 113 22.840 -11.191 9.650 767 HG23 VAL 113 2HG2 VAL 113 23.030 -9.471 9.984 768 H LEU 114 H LEU 114 18.805 -9.442 7.350 769 HA LEU 114 HA LEU 114 16.422 -9.999 8.837 770 HB2 LEU 114 1HB LEU 114 16.861 -8.463 6.274 771 HB3 LEU 114 2HB LEU 114 15.370 -8.491 7.185 772 HG LEU 114 HG LEU 114 17.993 -7.382 8.182 773 HD11 LEU 114 1HD1 LEU 114 15.491 -5.967 7.272 774 HD12 LEU 114 2HD1 LEU 114 17.023 -6.023 6.400 775 HD13 LEU 114 3HD1 LEU 114 16.924 -5.204 7.959 776 HD21 LEU 114 3HD2 LEU 114 16.646 -8.255 9.996 777 HD22 LEU 114 1HD2 LEU 114 15.236 -7.376 9.403 778 HD23 LEU 114 2HD2 LEU 114 16.629 -6.492 10.025 779 H PHE 115 H PHE 115 17.934 -11.114 5.943 780 HA PHE 115 HA PHE 115 15.526 -12.414 4.946 781 HB2 PHE 115 1HB PHE 115 17.200 -11.261 3.443 782 HB3 PHE 115 2HB PHE 115 18.335 -12.544 3.840 783 HD1 PHE 115 HD1 PHE 115 14.701 -12.635 3.010 784 HD2 PHE 115 HD2 PHE 115 18.652 -13.813 1.958 785 HE1 PHE 115 HE1 PHE 115 13.801 -13.998 1.173 786 HE2 PHE 115 HE2 PHE 115 17.759 -15.179 0.120 787 HZ PHE 115 HZ PHE 115 15.331 -15.272 -0.273 788 H GLN 116 H GLN 116 16.451 -13.253 7.481 789 HA GLN 116 HA GLN 116 17.925 -15.680 7.283 790 HB2 GLN 116 1HB GLN 116 16.951 -16.022 9.647 791 HB3 GLN 116 2HB GLN 116 18.082 -14.714 9.357 792 HG2 GLN 116 1HG GLN 116 16.265 -13.116 9.255 793 HG3 GLN 116 2HG GLN 116 15.090 -14.416 9.441 794 HE21 GLN 116 2HE2 GLN 116 17.528 -12.500 11.010 795 HE22 GLN 116 1HE2 GLN 116 17.088 -12.910 12.635 796 H GLY 117 H GLY 117 16.854 -16.705 5.623 797 HA2 GLY 117 1HA GLY 117 15.419 -18.890 6.020 798 HA3 GLY 117 2HA GLY 117 14.137 -17.677 6.065 799 HA PRO 118 HA PRO 118 16.388 -16.557 1.977 800 HB2 PRO 118 1HB PRO 118 17.997 -18.581 1.008 801 HB3 PRO 118 2HB PRO 118 18.560 -17.126 1.800 802 HG2 PRO 118 1HG PRO 118 18.115 -19.861 2.904 803 HG3 PRO 118 2HG PRO 118 19.418 -18.706 3.248 804 HD2 PRO 118 1HD PRO 118 17.435 -19.019 4.971 805 HD3 PRO 118 2HD PRO 118 18.061 -17.396 4.600 806 H GLN 119 H GLN 119 14.588 -16.688 0.818 807 HA GLN 119 HA GLN 119 14.020 -19.197 -0.587 808 HB2 GLN 119 1HB GLN 119 11.581 -18.697 -0.357 809 HB3 GLN 119 2HB GLN 119 12.368 -19.090 1.166 810 HG2 GLN 119 1HG GLN 119 12.475 -16.732 1.741 811 HG3 GLN 119 2HG GLN 119 11.737 -16.309 0.199 812 HE21 GLN 119 2HE2 GLN 119 10.769 -19.090 2.067 813 HE22 GLN 119 1HE2 GLN 119 9.222 -18.479 2.538 814 H PHE 120 H PHE 120 13.497 -18.936 -2.728 815 HA PHE 120 HA PHE 120 13.219 -16.169 -3.686 816 HB2 PHE 120 1HB PHE 120 15.003 -18.332 -4.805 817 HB3 PHE 120 2HB PHE 120 14.549 -16.902 -5.725 818 HD1 PHE 120 HD2 PHE 120 16.466 -18.150 -2.862 819 HD2 PHE 120 HD1 PHE 120 15.462 -14.745 -5.206 820 HE1 PHE 120 HE2 PHE 120 18.311 -16.896 -1.824 821 HE2 PHE 120 HE1 PHE 120 17.306 -13.487 -4.175 822 HZ PHE 120 HZ PHE 120 18.732 -14.562 -2.480 823 H THR 121 H THR 121 11.073 -16.244 -4.068 824 HA THR 121 HA THR 121 10.022 -18.382 -5.758 825 HB THR 121 HB THR 121 7.797 -17.297 -5.258 826 HG1 THR 121 HG1 THR 121 9.177 -15.917 -3.197 827 HG21 THR 121 3HG2 THR 121 9.470 -18.232 -2.926 828 HG22 THR 121 1HG2 THR 121 8.531 -19.248 -4.020 829 HG23 THR 121 2HG2 THR 121 7.710 -18.128 -2.933 830 H LEU 122 H LEU 122 10.823 -17.845 -7.784 831 HA LEU 122 HA LEU 122 10.849 -15.283 -8.913 832 HB2 LEU 122 1HB LEU 122 12.088 -17.191 -9.846 833 HB3 LEU 122 2HB LEU 122 10.576 -17.947 -10.312 834 HG LEU 122 HG LEU 122 10.139 -16.026 -11.836 835 HD11 LEU 122 1HD1 LEU 122 11.484 -14.337 -10.733 836 HD12 LEU 122 2HD1 LEU 122 12.011 -14.543 -12.403 837 HD13 LEU 122 3HD1 LEU 122 12.953 -15.245 -11.087 838 HD21 LEU 122 3HD2 LEU 122 12.718 -17.519 -12.291 839 HD22 LEU 122 1HD2 LEU 122 11.772 -16.700 -13.532 840 HD23 LEU 122 2HD2 LEU 122 11.097 -18.091 -12.684 841 H ARG 123 H ARG 123 9.137 -14.026 -9.066 842 HA ARG 123 HA ARG 123 6.757 -14.900 -10.443 843 HB2 ARG 123 1HB ARG 123 6.467 -15.584 -8.016 844 HB3 ARG 123 2HB ARG 123 6.525 -13.876 -7.609 845 HG2 ARG 123 1HG ARG 123 4.268 -14.241 -7.696 846 HG3 ARG 123 2HG ARG 123 4.583 -13.687 -9.340 847 HD2 ARG 123 1HD ARG 123 4.365 -16.564 -8.461 848 HD3 ARG 123 2HD ARG 123 3.111 -15.652 -9.290 849 HE ARG 123 HE ARG 123 4.872 -15.453 -11.135 850 HH11 ARG 123 1HH1 ARG 123 4.604 -18.194 -8.973 851 HH12 ARG 123 2HH1 ARG 123 5.220 -19.331 -10.129 852 HH21 ARG 123 1HH2 ARG 123 5.677 -16.953 -12.667 853 HH22 ARG 123 2HH2 ARG 123 5.820 -18.626 -12.234 854 H HIS 124 H HIS 124 5.553 -13.140 -11.214 855 HA HIS 124 HA HIS 124 6.888 -10.724 -11.668 856 HB2 HIS 124 1HB HIS 124 3.941 -11.391 -11.818 857 HB3 HIS 124 2HB HIS 124 4.629 -9.879 -12.397 858 HD1 HIS 124 HD1 HIS 124 3.704 -13.142 -13.555 859 HD2 HIS 124 HD2 HIS 124 6.739 -10.443 -14.458 860 HE1 HIS 124 HE1 HIS 124 4.568 -13.821 -15.816 861 HE2 HIS 124 HE2 HIS 124 6.414 -12.190 -16.335 862 H TRP 125 H TRP 125 6.677 -8.666 -10.788 863 HA TRP 125 HA TRP 125 6.106 -8.618 -7.976 864 HB2 TRP 125 1HB TRP 125 6.946 -6.429 -9.884 865 HB3 TRP 125 2HB TRP 125 6.796 -6.227 -8.140 866 HD1 TRP 125 HD1 TRP 125 8.480 -7.890 -6.634 867 HE1 TRP 125 HE1 TRP 125 10.910 -8.591 -7.139 868 HE3 TRP 125 HE3 TRP 125 8.582 -6.903 -11.648 869 HZ2 TRP 125 HZ2 TRP 125 12.624 -8.715 -9.364 870 HZ3 TRP 125 HZ3 TRP 125 10.659 -7.344 -12.890 871 HH2 TRP 125 HH2 TRP 125 12.638 -8.230 -11.769 872 H LEU 126 H LEU 126 4.598 -7.165 -6.952 873 HA LEU 126 HA LEU 126 2.075 -7.615 -8.335 874 HB2 LEU 126 1HB LEU 126 1.049 -7.564 -6.200 875 HB3 LEU 126 2HB LEU 126 2.525 -8.493 -6.039 876 HG LEU 126 HG LEU 126 3.336 -5.948 -5.396 877 HD11 LEU 126 1HD1 LEU 126 0.653 -6.411 -4.110 878 HD12 LEU 126 2HD1 LEU 126 0.981 -5.205 -5.353 879 HD13 LEU 126 3HD1 LEU 126 1.768 -5.087 -3.780 880 HD21 LEU 126 3HD2 LEU 126 3.304 -6.857 -3.074 881 HD22 LEU 126 1HD2 LEU 126 4.063 -7.902 -4.273 882 HD23 LEU 126 2HD2 LEU 126 2.430 -8.250 -3.710 883 H LYS 127 H LYS 127 0.289 -6.089 -7.752 884 HA LYS 127 HA LYS 127 1.009 -3.316 -7.577 885 HB2 LYS 127 1HB LYS 127 -0.185 -2.749 -9.705 886 HB3 LYS 127 2HB LYS 127 1.337 -3.597 -9.936 887 HG2 LYS 127 1HG LYS 127 0.172 -5.657 -10.386 888 HG3 LYS 127 2HG LYS 127 -1.377 -4.897 -10.018 889 HD2 LYS 127 1HD LYS 127 -1.078 -3.371 -11.902 890 HD3 LYS 127 2HD LYS 127 0.477 -4.119 -12.266 891 HE2 LYS 127 1HE LYS 127 -1.302 -4.963 -13.723 892 HE3 LYS 127 2HE LYS 127 -0.621 -6.236 -12.714 893 HZ1 LYS 127 3HZ LYS 127 -3.040 -6.344 -12.820 894 HZ2 LYS 127 1HZ LYS 127 -3.157 -4.791 -12.162 895 HZ3 LYS 127 2HZ LYS 127 -2.511 -6.055 -11.241 896 H VAL 128 H VAL 128 -0.377 -2.628 -6.113 897 HA VAL 128 HA VAL 128 -3.192 -3.185 -6.549 898 HB VAL 128 HB VAL 128 -2.506 -4.706 -4.762 899 HG11 VAL 128 1HG1 VAL 128 -0.675 -3.462 -3.813 900 HG12 VAL 128 2HG1 VAL 128 -1.863 -3.888 -2.582 901 HG13 VAL 128 3HG1 VAL 128 -1.802 -2.241 -3.217 902 HG21 VAL 128 3HG2 VAL 128 -4.763 -3.876 -4.834 903 HG22 VAL 128 1HG2 VAL 128 -4.301 -2.489 -3.849 904 HG23 VAL 128 2HG2 VAL 128 -4.233 -4.116 -3.171 Start of MODEL 4 1 H1 GLY 13 1H GLY 13 19.621 -2.675 12.526 2 H2 GLY 13 2H GLY 13 20.351 -3.831 13.519 3 H3 GLY 13 3H GLY 13 21.256 -3.054 12.315 4 HA2 GLY 13 1HA GLY 13 21.717 -2.188 14.562 5 HA3 GLY 13 2HA GLY 13 21.130 -0.973 13.436 6 H SER 14 H SER 14 20.719 0.034 15.645 7 HA SER 14 HA SER 14 18.599 -0.854 17.258 8 HB2 SER 14 1HB SER 14 18.512 1.591 17.966 9 HB3 SER 14 2HB SER 14 20.075 0.795 18.148 10 HG SER 14 HG SER 14 19.672 1.989 15.694 11 HA PRO 15 HA PRO 15 15.156 -0.031 14.586 12 HB2 PRO 15 1HB PRO 15 13.174 -0.252 16.421 13 HB3 PRO 15 2HB PRO 15 14.054 -1.650 15.791 14 HG2 PRO 15 1HG PRO 15 14.432 -0.180 18.368 15 HG3 PRO 15 2HG PRO 15 14.437 -1.926 18.066 16 HD2 PRO 15 1HD PRO 15 16.710 -0.472 18.350 17 HD3 PRO 15 2HD PRO 15 16.613 -1.917 17.326 18 H GLY 16 H GLY 16 16.314 2.266 14.794 19 HA2 GLY 16 1HA GLY 16 14.350 4.135 15.962 20 HA3 GLY 16 2HA GLY 16 16.035 4.522 15.645 21 H ILE 17 H ILE 17 12.929 3.867 14.169 22 HA ILE 17 HA ILE 17 13.897 4.720 11.565 23 HB ILE 17 HB ILE 17 11.389 4.240 11.003 24 HG12 ILE 17 1HG1 ILE 17 11.040 3.898 13.590 25 HG13 ILE 17 2HG1 ILE 17 10.184 2.908 12.429 26 HG21 ILE 17 1HG2 ILE 17 13.405 2.077 11.566 27 HG22 ILE 17 2HG2 ILE 17 13.251 3.019 10.083 28 HG23 ILE 17 3HG2 ILE 17 11.973 1.898 10.551 29 HD11 ILE 17 3HD1 ILE 17 11.038 1.598 14.296 30 HD12 ILE 17 1HD1 ILE 17 12.680 2.102 13.896 31 HD13 ILE 17 2HD1 ILE 17 11.766 1.101 12.768 32 HA PRO 18 HA PRO 18 12.557 8.813 11.833 33 HB2 PRO 18 1HB PRO 18 11.604 9.366 9.341 34 HB3 PRO 18 2HB PRO 18 13.317 9.173 9.716 35 HG2 PRO 18 1HG PRO 18 11.423 7.235 8.471 36 HG3 PRO 18 2HG PRO 18 13.129 7.540 8.099 37 HD2 PRO 18 1HD PRO 18 12.265 5.430 9.575 38 HD3 PRO 18 2HD PRO 18 13.860 6.157 9.764 39 H VAL 19 H VAL 19 10.036 8.185 9.470 40 HA VAL 19 HA VAL 19 8.059 8.976 11.438 41 HB VAL 19 HB VAL 19 7.899 8.876 8.454 42 HG11 VAL 19 1HG1 VAL 19 5.847 10.170 8.729 43 HG12 VAL 19 2HG1 VAL 19 5.999 9.990 10.477 44 HG13 VAL 19 3HG1 VAL 19 5.753 8.571 9.462 45 HG21 VAL 19 3HG2 VAL 19 7.974 11.348 8.584 46 HG22 VAL 19 1HG2 VAL 19 9.460 10.586 9.150 47 HG23 VAL 19 2HG2 VAL 19 8.292 11.213 10.312 48 HA PRO 20 HA PRO 20 6.913 4.615 11.319 49 HB2 PRO 20 1HB PRO 20 5.621 4.655 13.649 50 HB3 PRO 20 2HB PRO 20 7.384 4.808 13.595 51 HG2 PRO 20 1HG PRO 20 5.320 6.985 13.823 52 HG3 PRO 20 2HG PRO 20 6.775 6.731 14.808 53 HD2 PRO 20 1HD PRO 20 6.727 8.462 12.694 54 HD3 PRO 20 2HD PRO 20 8.180 7.563 13.177 55 H GLY 21 H GLY 21 4.900 3.454 11.228 56 HA2 GLY 21 1HA GLY 21 2.593 3.197 11.377 57 HA3 GLY 21 2HA GLY 21 2.426 4.921 11.600 58 H LYS 22 H LYS 22 3.236 6.112 9.578 59 HA LYS 22 HA LYS 22 2.935 6.699 7.410 60 HB2 LYS 22 1HB LYS 22 2.097 3.839 7.029 61 HB3 LYS 22 2HB LYS 22 1.949 5.034 5.750 62 HG2 LYS 22 1HG LYS 22 4.397 5.472 6.004 63 HG3 LYS 22 2HG LYS 22 4.461 4.075 7.082 64 HD2 LYS 22 1HD LYS 22 3.664 2.630 5.320 65 HD3 LYS 22 2HD LYS 22 3.445 4.012 4.244 66 HE2 LYS 22 1HE LYS 22 6.048 2.985 5.355 67 HE3 LYS 22 2HE LYS 22 5.491 2.851 3.690 68 HZ1 LYS 22 3HZ LYS 22 5.467 5.331 3.649 69 HZ2 LYS 22 1HZ LYS 22 7.010 4.641 3.784 70 HZ3 LYS 22 2HZ LYS 22 6.250 5.313 5.144 71 H VAL 23 H VAL 23 0.321 5.139 6.194 72 HA VAL 23 HA VAL 23 -1.462 7.197 7.260 73 HB VAL 23 HB VAL 23 -1.914 8.124 5.031 74 HG11 VAL 23 1HG1 VAL 23 1.004 8.155 5.743 75 HG12 VAL 23 2HG1 VAL 23 -0.238 9.188 6.454 76 HG13 VAL 23 3HG1 VAL 23 0.174 9.349 4.746 77 HG21 VAL 23 3HG2 VAL 23 -1.367 6.243 3.635 78 HG22 VAL 23 1HG2 VAL 23 0.320 6.310 4.137 79 HG23 VAL 23 2HG2 VAL 23 -0.366 7.616 3.171 80 H THR 24 H THR 24 -3.657 7.049 6.456 81 HA THR 24 HA THR 24 -4.315 4.426 5.302 82 HB THR 24 HB THR 24 -5.059 4.315 7.560 83 HG1 THR 24 HG1 THR 24 -6.595 3.719 5.815 84 HG21 THR 24 3HG2 THR 24 -6.415 6.978 7.125 85 HG22 THR 24 1HG2 THR 24 -4.997 6.684 8.131 86 HG23 THR 24 2HG2 THR 24 -6.554 5.983 8.573 87 H LEU 25 H LEU 25 -5.312 4.531 3.415 88 HA LEU 25 HA LEU 25 -6.730 7.012 2.686 89 HB2 LEU 25 1HB LEU 25 -5.233 5.098 0.884 90 HB3 LEU 25 2HB LEU 25 -6.197 6.439 0.318 91 HG LEU 25 HG LEU 25 -4.037 7.238 0.162 92 HD11 LEU 25 1HD1 LEU 25 -5.486 8.790 1.375 93 HD12 LEU 25 2HD1 LEU 25 -3.792 8.957 1.835 94 HD13 LEU 25 3HD1 LEU 25 -4.916 8.114 2.901 95 HD21 LEU 25 3HD2 LEU 25 -2.922 5.410 1.279 96 HD22 LEU 25 1HD2 LEU 25 -3.460 6.011 2.847 97 HD23 LEU 25 2HD2 LEU 25 -2.326 6.955 1.882 98 H GLN 26 H GLN 26 -7.924 6.118 0.381 99 HA GLN 26 HA GLN 26 -9.536 3.860 1.210 100 HB2 GLN 26 1HB GLN 26 -10.472 6.510 0.176 101 HB3 GLN 26 2HB GLN 26 -11.460 5.062 0.025 102 HG2 GLN 26 1HG GLN 26 -11.442 4.780 2.431 103 HG3 GLN 26 2HG GLN 26 -10.420 6.201 2.593 104 HE21 GLN 26 2HE2 GLN 26 -13.058 5.667 3.687 105 HE22 GLN 26 1HE2 GLN 26 -14.090 6.931 3.109 106 H LYS 27 H LYS 27 -10.384 2.639 -0.406 107 HA LYS 27 HA LYS 27 -8.691 1.974 -2.480 108 HB2 LYS 27 1HB LYS 27 -11.677 1.573 -2.520 109 HB3 LYS 27 2HB LYS 27 -10.494 0.638 -3.390 110 HG2 LYS 27 1HG LYS 27 -10.826 0.709 -0.407 111 HG3 LYS 27 2HG LYS 27 -11.338 -0.589 -1.490 112 HD2 LYS 27 1HD LYS 27 -8.844 -0.502 -2.239 113 HD3 LYS 27 2HD LYS 27 -8.603 0.218 -0.661 114 HE2 LYS 27 1HE LYS 27 -8.268 -2.067 -0.318 115 HE3 LYS 27 2HE LYS 27 -9.899 -1.750 0.271 116 HZ1 LYS 27 3HZ LYS 27 -9.184 -2.906 -2.367 117 HZ2 LYS 27 1HZ LYS 27 -10.760 -2.560 -1.857 118 HZ3 LYS 27 2HZ LYS 27 -9.854 -3.744 -1.053 119 H ASP 28 H ASP 28 -8.623 2.343 -4.607 120 HA ASP 28 HA ASP 28 -9.780 4.777 -5.665 121 HB2 ASP 28 1HB ASP 28 -7.423 4.142 -6.136 122 HB3 ASP 28 2HB ASP 28 -7.984 2.694 -6.956 123 H ALA 29 H ALA 29 -10.581 4.414 -8.147 124 HA ALA 29 HA ALA 29 -12.996 3.014 -8.064 125 HB1 ALA 29 3HB ALA 29 -13.123 3.401 -10.455 126 HB2 ALA 29 1HB ALA 29 -11.399 3.766 -10.510 127 HB3 ALA 29 2HB ALA 29 -12.500 4.834 -9.640 128 H GLN 30 H GLN 30 -9.800 1.924 -8.680 129 HA GLN 30 HA GLN 30 -10.613 -0.564 -9.941 130 HB2 GLN 30 1HB GLN 30 -8.376 1.088 -9.917 131 HB3 GLN 30 2HB GLN 30 -7.873 -0.432 -9.223 132 HG2 GLN 30 1HG GLN 30 -9.339 -0.203 -11.827 133 HG3 GLN 30 2HG GLN 30 -7.594 -0.283 -11.686 134 HE21 GLN 30 2HE2 GLN 30 -6.616 -2.207 -11.069 135 HE22 GLN 30 1HE2 GLN 30 -7.463 -3.715 -11.086 136 H ASN 31 H ASN 31 -10.737 0.522 -6.962 137 HA ASN 31 HA ASN 31 -11.183 -0.530 -4.965 138 HB2 ASN 31 1HB ASN 31 -12.105 -2.378 -6.244 139 HB3 ASN 31 2HB ASN 31 -10.506 -3.048 -6.505 140 HD21 ASN 31 2HD2 ASN 31 -10.576 -4.936 -5.484 141 HD22 ASN 31 1HD2 ASN 31 -10.974 -5.163 -3.824 142 H LEU 32 H LEU 32 -8.373 0.110 -6.150 143 HA LEU 32 HA LEU 32 -6.874 -1.246 -4.012 144 HB2 LEU 32 1HB LEU 32 -4.921 -1.136 -5.726 145 HB3 LEU 32 2HB LEU 32 -6.126 -2.384 -5.880 146 HG LEU 32 HG LEU 32 -7.280 -0.974 -7.593 147 HD11 LEU 32 1HD1 LEU 32 -5.997 0.796 -8.684 148 HD12 LEU 32 2HD1 LEU 32 -4.735 0.634 -7.464 149 HD13 LEU 32 3HD1 LEU 32 -6.342 1.195 -7.001 150 HD21 LEU 32 3HD2 LEU 32 -5.783 -1.585 -9.372 151 HD22 LEU 32 1HD2 LEU 32 -5.807 -2.858 -8.152 152 HD23 LEU 32 2HD2 LEU 32 -4.446 -1.736 -8.232 153 H ILE 33 H ILE 33 -4.395 -0.070 -4.399 154 HA ILE 33 HA ILE 33 -5.051 2.610 -3.462 155 HB ILE 33 HB ILE 33 -2.392 2.120 -2.869 156 HG12 ILE 33 1HG1 ILE 33 -4.021 -0.368 -2.244 157 HG13 ILE 33 2HG1 ILE 33 -2.769 -0.291 -3.479 158 HG21 ILE 33 1HG2 ILE 33 -4.978 2.016 -1.359 159 HG22 ILE 33 2HG2 ILE 33 -3.749 3.287 -1.379 160 HG23 ILE 33 3HG2 ILE 33 -3.431 1.768 -0.539 161 HD11 ILE 33 3HD1 ILE 33 -1.810 -1.282 -1.559 162 HD12 ILE 33 1HD1 ILE 33 -2.454 -0.030 -0.497 163 HD13 ILE 33 2HD1 ILE 33 -1.173 0.359 -1.644 164 H GLY 34 H GLY 34 -3.276 0.899 -5.923 165 HA2 GLY 34 1HA GLY 34 -2.739 1.975 -7.991 166 HA3 GLY 34 2HA GLY 34 -2.638 3.511 -7.142 167 H ILE 35 H ILE 35 -1.075 0.526 -6.088 168 HA ILE 35 HA ILE 35 1.538 1.777 -6.701 169 HB ILE 35 HB ILE 35 2.419 0.724 -4.617 170 HG12 ILE 35 1HG1 ILE 35 0.439 0.440 -2.872 171 HG13 ILE 35 2HG1 ILE 35 -0.452 0.016 -4.327 172 HG21 ILE 35 1HG2 ILE 35 0.287 2.824 -4.358 173 HG22 ILE 35 2HG2 ILE 35 2.014 3.063 -4.624 174 HG23 ILE 35 3HG2 ILE 35 1.440 2.423 -3.087 175 HD11 ILE 35 3HD1 ILE 35 0.867 -1.854 -4.742 176 HD12 ILE 35 1HD1 ILE 35 0.574 -1.870 -3.003 177 HD13 ILE 35 2HD1 ILE 35 2.128 -1.311 -3.626 178 H SER 36 H SER 36 3.340 0.208 -6.475 179 HA SER 36 HA SER 36 2.633 -2.550 -7.087 180 HB2 SER 36 1HB SER 36 4.409 -0.793 -8.771 181 HB3 SER 36 2HB SER 36 4.477 -2.557 -8.841 182 HG SER 36 HG SER 36 1.993 -2.104 -8.991 183 H ILE 37 H ILE 37 3.771 -3.945 -6.024 184 HA ILE 37 HA ILE 37 6.009 -2.903 -4.424 185 HB ILE 37 HB ILE 37 4.148 -5.188 -3.796 186 HG12 ILE 37 1HG1 ILE 37 4.578 -2.500 -2.483 187 HG13 ILE 37 2HG1 ILE 37 3.186 -2.966 -3.453 188 HG21 ILE 37 1HG2 ILE 37 6.414 -5.709 -3.050 189 HG22 ILE 37 2HG2 ILE 37 5.334 -5.414 -1.687 190 HG23 ILE 37 3HG2 ILE 37 6.478 -4.172 -2.189 191 HD11 ILE 37 3HD1 ILE 37 3.980 -4.172 -0.812 192 HD12 ILE 37 1HD1 ILE 37 2.587 -4.645 -1.784 193 HD13 ILE 37 2HD1 ILE 37 2.667 -3.028 -1.086 194 H GLY 38 H GLY 38 7.918 -3.505 -4.892 195 HA2 GLY 38 1HA GLY 38 8.557 -6.252 -5.596 196 HA3 GLY 38 2HA GLY 38 8.964 -5.034 -6.802 197 H GLY 39 H GLY 39 11.221 -5.733 -6.394 198 HA2 GLY 39 1HA GLY 39 12.281 -4.487 -3.933 199 HA3 GLY 39 2HA GLY 39 13.075 -5.792 -4.801 200 H GLY 40 H GLY 40 13.790 -2.850 -4.060 201 HA2 GLY 40 1HA GLY 40 14.457 -1.658 -6.555 202 HA3 GLY 40 2HA GLY 40 15.213 -1.307 -5.005 203 H ALA 41 H ALA 41 17.369 -1.624 -5.077 204 HA ALA 41 HA ALA 41 19.359 -2.691 -5.248 205 HB1 ALA 41 3HB ALA 41 19.454 -5.082 -5.528 206 HB2 ALA 41 1HB ALA 41 17.778 -5.110 -6.076 207 HB3 ALA 41 2HB ALA 41 18.153 -4.650 -4.416 208 H GLN 42 H GLN 42 17.232 -2.599 -7.937 209 HA GLN 42 HA GLN 42 19.105 -3.405 -9.948 210 HB2 GLN 42 1HB GLN 42 16.620 -1.700 -10.233 211 HB3 GLN 42 2HB GLN 42 17.458 -2.543 -11.525 212 HG2 GLN 42 1HG GLN 42 16.116 -3.902 -9.200 213 HG3 GLN 42 2HG GLN 42 15.366 -3.639 -10.773 214 HE21 GLN 42 2HE2 GLN 42 17.695 -5.457 -8.978 215 HE22 GLN 42 1HE2 GLN 42 18.018 -6.642 -10.199 216 H TYR 43 H TYR 43 20.673 -1.875 -8.629 217 HA TYR 43 HA TYR 43 22.045 -0.076 -8.589 218 HB2 TYR 43 1HB TYR 43 20.666 0.759 -11.149 219 HB3 TYR 43 2HB TYR 43 22.165 1.433 -10.521 220 HD1 TYR 43 HD1 TYR 43 24.125 -0.232 -10.179 221 HD2 TYR 43 HD2 TYR 43 20.737 -1.042 -12.621 222 HE1 TYR 43 HE1 TYR 43 25.403 -1.963 -11.369 223 HE2 TYR 43 HE2 TYR 43 22.005 -2.772 -13.815 224 HH TYR 43 HH TYR 43 24.918 -4.025 -12.686 225 H CYS 44 H CYS 44 18.769 0.096 -8.354 226 HA CYS 44 HA CYS 44 18.894 2.690 -7.007 227 HB2 CYS 44 1HB CYS 44 16.651 1.842 -8.860 228 HB3 CYS 44 2HB CYS 44 16.739 3.348 -7.953 229 HG CYS 44 HG CYS 44 19.179 4.071 -9.394 230 HA PRO 45 HA PRO 45 17.196 -0.465 -4.129 231 HB2 PRO 45 1HB PRO 45 18.188 1.644 -2.293 232 HB3 PRO 45 2HB PRO 45 18.412 -0.111 -2.227 233 HG2 PRO 45 1HG PRO 45 20.414 1.359 -3.012 234 HG3 PRO 45 2HG PRO 45 20.018 -0.085 -3.945 235 HD2 PRO 45 1HD PRO 45 19.274 2.778 -4.515 236 HD3 PRO 45 2HD PRO 45 20.035 1.587 -5.599 237 H CYS 46 H CYS 46 16.393 0.862 -1.643 238 HA CYS 46 HA CYS 46 14.386 1.329 -0.724 239 HB2 CYS 46 1HB CYS 46 13.827 2.788 -3.318 240 HB3 CYS 46 2HB CYS 46 12.816 2.858 -1.877 241 HG CYS 46 HG CYS 46 14.634 4.192 -0.306 242 H LEU 47 H LEU 47 12.797 -0.125 -0.430 243 HA LEU 47 HA LEU 47 12.040 -1.672 -2.788 244 HB2 LEU 47 1HB LEU 47 12.229 -3.731 -1.241 245 HB3 LEU 47 2HB LEU 47 13.652 -3.090 -2.031 246 HG LEU 47 HG LEU 47 12.999 -2.242 0.769 247 HD11 LEU 47 1HD1 LEU 47 14.361 -4.107 1.578 248 HD12 LEU 47 2HD1 LEU 47 14.428 -4.757 -0.062 249 HD13 LEU 47 3HD1 LEU 47 12.886 -4.663 0.790 250 HD21 LEU 47 3HD2 LEU 47 15.440 -2.037 0.906 251 HD22 LEU 47 1HD2 LEU 47 14.792 -1.077 -0.426 252 HD23 LEU 47 2HD2 LEU 47 15.583 -2.619 -0.753 253 H TYR 48 H TYR 48 10.545 -3.576 -1.797 254 HA TYR 48 HA TYR 48 8.363 -3.946 -1.688 255 HB2 TYR 48 1HB TYR 48 8.397 -1.754 0.381 256 HB3 TYR 48 2HB TYR 48 7.038 -2.840 0.072 257 HD1 TYR 48 HD2 TYR 48 10.499 -2.642 1.277 258 HD2 TYR 48 HD1 TYR 48 7.078 -5.120 0.818 259 HE1 TYR 48 HE2 TYR 48 11.537 -4.324 2.711 260 HE2 TYR 48 HE1 TYR 48 8.114 -6.819 2.260 261 HH TYR 48 HH TYR 48 10.832 -6.188 4.177 262 H ILE 49 H ILE 49 8.137 -0.348 -1.279 263 HA ILE 49 HA ILE 49 6.319 -0.539 -3.550 264 HB ILE 49 HB ILE 49 5.878 0.837 -1.365 265 HG12 ILE 49 1HG1 ILE 49 4.548 0.650 -3.583 266 HG13 ILE 49 2HG1 ILE 49 4.189 1.978 -2.487 267 HG21 ILE 49 1HG2 ILE 49 7.341 2.857 -3.043 268 HG22 ILE 49 2HG2 ILE 49 7.851 2.243 -1.467 269 HG23 ILE 49 3HG2 ILE 49 6.385 3.216 -1.603 270 HD11 ILE 49 3HD1 ILE 49 5.614 3.447 -3.865 271 HD12 ILE 49 1HD1 ILE 49 4.254 2.769 -4.762 272 HD13 ILE 49 2HD1 ILE 49 5.873 2.107 -4.981 273 H VAL 50 H VAL 50 6.994 -0.318 -5.518 274 HA VAL 50 HA VAL 50 9.498 1.161 -6.004 275 HB VAL 50 HB VAL 50 8.302 -1.084 -7.646 276 HG11 VAL 50 1HG1 VAL 50 10.437 -1.093 -8.833 277 HG12 VAL 50 2HG1 VAL 50 10.980 0.286 -7.879 278 HG13 VAL 50 3HG1 VAL 50 9.627 0.466 -8.996 279 HG21 VAL 50 3HG2 VAL 50 10.166 -2.432 -6.792 280 HG22 VAL 50 1HG2 VAL 50 9.095 -1.892 -5.499 281 HG23 VAL 50 2HG2 VAL 50 10.647 -1.093 -5.750 282 H GLN 51 H GLN 51 6.146 0.969 -6.777 283 HA GLN 51 HA GLN 51 6.408 3.239 -8.535 284 HB2 GLN 51 1HB GLN 51 5.675 0.557 -9.455 285 HB3 GLN 51 2HB GLN 51 4.586 1.846 -9.969 286 HG2 GLN 51 1HG GLN 51 6.394 3.063 -10.924 287 HG3 GLN 51 2HG GLN 51 7.530 1.908 -10.278 288 HE21 GLN 51 2HE2 GLN 51 5.177 2.536 -12.655 289 HE22 GLN 51 1HE2 GLN 51 5.536 1.185 -13.648 290 H VAL 52 H VAL 52 4.764 4.505 -8.640 291 HA VAL 52 HA VAL 52 2.184 3.681 -7.561 292 HB VAL 52 HB VAL 52 3.540 4.789 -5.719 293 HG11 VAL 52 1HG1 VAL 52 3.143 7.162 -7.510 294 HG12 VAL 52 2HG1 VAL 52 4.655 6.535 -6.840 295 HG13 VAL 52 3HG1 VAL 52 3.464 7.306 -5.780 296 HG21 VAL 52 3HG2 VAL 52 1.629 6.142 -4.933 297 HG22 VAL 52 1HG2 VAL 52 1.168 4.544 -5.516 298 HG23 VAL 52 2HG2 VAL 52 0.893 5.958 -6.527 299 H PHE 53 H PHE 53 0.479 5.215 -8.178 300 HA PHE 53 HA PHE 53 1.219 6.804 -10.515 301 HB2 PHE 53 1HB PHE 53 -1.458 5.473 -10.063 302 HB3 PHE 53 2HB PHE 53 -0.906 6.279 -11.521 303 HD1 PHE 53 HD2 PHE 53 1.562 5.214 -12.254 304 HD2 PHE 53 HD1 PHE 53 -1.634 3.213 -10.277 305 HE1 PHE 53 HE2 PHE 53 2.397 3.053 -13.100 306 HE2 PHE 53 HE1 PHE 53 -0.805 1.055 -11.116 307 HZ PHE 53 HZ PHE 53 1.207 0.975 -12.531 308 H ASP 54 H ASP 54 0.649 8.826 -10.455 309 HA ASP 54 HA ASP 54 0.618 10.010 -7.945 310 HB2 ASP 54 1HB ASP 54 1.665 10.977 -9.946 311 HB3 ASP 54 2HB ASP 54 0.069 11.330 -10.598 312 H ASN 55 H ASN 55 -2.085 9.118 -9.811 313 HA ASN 55 HA ASN 55 -3.812 11.110 -8.560 314 HB2 ASN 55 1HB ASN 55 -4.181 9.419 -11.030 315 HB3 ASN 55 2HB ASN 55 -5.493 10.336 -10.297 316 HD21 ASN 55 2HD2 ASN 55 -2.490 10.517 -12.035 317 HD22 ASN 55 1HD2 ASN 55 -2.617 12.183 -12.471 318 H THR 56 H THR 56 -2.695 8.258 -7.804 319 HA THR 56 HA THR 56 -5.257 6.958 -7.183 320 HB THR 56 HB THR 56 -3.991 4.964 -6.729 321 HG1 THR 56 HG1 THR 56 -1.571 6.408 -7.143 322 HG21 THR 56 3HG2 THR 56 -2.756 4.643 -8.807 323 HG22 THR 56 1HG2 THR 56 -2.740 6.389 -9.068 324 HG23 THR 56 2HG2 THR 56 -4.269 5.503 -9.103 325 HA PRO 57 HA PRO 57 -5.455 8.438 -3.098 326 HB2 PRO 57 1HB PRO 57 -5.558 6.019 -1.654 327 HB3 PRO 57 2HB PRO 57 -6.934 6.926 -2.274 328 HG2 PRO 57 1HG PRO 57 -5.552 4.558 -3.437 329 HG3 PRO 57 2HG PRO 57 -7.268 4.989 -3.475 330 HD2 PRO 57 1HD PRO 57 -5.725 5.301 -5.627 331 HD3 PRO 57 2HD PRO 57 -6.979 6.491 -5.220 332 H ALA 58 H ALA 58 -3.373 5.620 -3.498 333 HA ALA 58 HA ALA 58 -1.678 5.944 -1.311 334 HB1 ALA 58 3HB ALA 58 -0.993 4.813 -4.016 335 HB2 ALA 58 1HB ALA 58 -1.754 3.932 -2.691 336 HB3 ALA 58 2HB ALA 58 -0.107 4.537 -2.516 337 H ALA 59 H ALA 59 -1.109 7.076 -4.697 338 HA ALA 59 HA ALA 59 1.228 8.567 -3.880 339 HB1 ALA 59 3HB ALA 59 1.081 7.814 -6.152 340 HB2 ALA 59 1HB ALA 59 1.078 9.574 -6.136 341 HB3 ALA 59 2HB ALA 59 -0.433 8.691 -6.398 342 H LEU 60 H LEU 60 -1.984 9.411 -4.978 343 HA LEU 60 HA LEU 60 -2.104 12.096 -4.938 344 HB2 LEU 60 1HB LEU 60 -3.794 10.223 -5.421 345 HB3 LEU 60 2HB LEU 60 -4.253 10.375 -3.739 346 HG LEU 60 HG LEU 60 -5.811 11.527 -5.184 347 HD11 LEU 60 1HD1 LEU 60 -5.835 13.708 -4.106 348 HD12 LEU 60 2HD1 LEU 60 -4.177 13.464 -3.561 349 HD13 LEU 60 3HD1 LEU 60 -5.466 12.423 -2.953 350 HD21 LEU 60 3HD2 LEU 60 -5.179 13.428 -6.525 351 HD22 LEU 60 1HD2 LEU 60 -4.223 12.023 -6.996 352 HD23 LEU 60 2HD2 LEU 60 -3.503 13.285 -5.996 353 H ASP 61 H ASP 61 -3.477 10.364 -2.146 354 HA ASP 61 HA ASP 61 -2.910 12.722 -0.511 355 HB2 ASP 61 1HB ASP 61 -5.229 11.807 -0.606 356 HB3 ASP 61 2HB ASP 61 -4.641 10.333 0.152 357 H GLY 62 H GLY 62 -2.148 9.344 -0.813 358 HA2 GLY 62 1HA GLY 62 -1.447 8.867 1.890 359 HA3 GLY 62 2HA GLY 62 -1.022 7.851 0.528 360 H THR 63 H THR 63 0.525 9.847 -0.850 361 HA THR 63 HA THR 63 2.693 10.324 -1.103 362 HB THR 63 HB THR 63 3.163 10.910 1.760 363 HG1 THR 63 HG1 THR 63 0.904 11.522 1.345 364 HG21 THR 63 3HG2 THR 63 4.069 12.958 0.702 365 HG22 THR 63 1HG2 THR 63 3.501 12.351 -0.855 366 HG23 THR 63 2HG2 THR 63 4.753 11.477 0.024 367 H VAL 64 H VAL 64 2.404 7.828 -1.133 368 HA VAL 64 HA VAL 64 4.649 6.701 0.402 369 HB VAL 64 HB VAL 64 3.475 4.479 0.249 370 HG11 VAL 64 1HG1 VAL 64 3.462 5.874 2.306 371 HG12 VAL 64 2HG1 VAL 64 2.047 4.839 2.139 372 HG13 VAL 64 3HG1 VAL 64 1.923 6.565 1.781 373 HG21 VAL 64 3HG2 VAL 64 1.122 4.407 -0.239 374 HG22 VAL 64 1HG2 VAL 64 1.963 5.171 -1.591 375 HG23 VAL 64 2HG2 VAL 64 1.071 6.161 -0.434 376 H ALA 65 H ALA 65 5.254 7.861 -1.802 377 HA ALA 65 HA ALA 65 4.567 6.373 -4.168 378 HB1 ALA 65 3HB ALA 65 6.255 8.848 -3.849 379 HB2 ALA 65 1HB ALA 65 4.527 8.806 -4.197 380 HB3 ALA 65 2HB ALA 65 5.677 8.174 -5.373 381 H ALA 66 H ALA 66 6.517 6.412 -5.837 382 HA ALA 66 HA ALA 66 7.932 4.123 -5.340 383 HB1 ALA 66 3HB ALA 66 8.824 6.323 -7.190 384 HB2 ALA 66 1HB ALA 66 7.518 5.191 -7.547 385 HB3 ALA 66 2HB ALA 66 9.165 4.598 -7.329 386 H GLY 67 H GLY 67 9.599 3.614 -4.106 387 HA2 GLY 67 1HA GLY 67 11.879 3.923 -3.457 388 HA3 GLY 67 2HA GLY 67 11.643 5.660 -3.580 389 H ASP 68 H ASP 68 9.141 3.882 -2.030 390 HA ASP 68 HA ASP 68 10.111 4.826 0.590 391 HB2 ASP 68 1HB ASP 68 7.726 5.365 -0.507 392 HB3 ASP 68 2HB ASP 68 7.327 3.839 0.253 393 H GLU 69 H GLU 69 9.563 3.412 2.441 394 HA GLU 69 HA GLU 69 10.046 0.607 1.694 395 HB2 GLU 69 1HB GLU 69 10.807 2.284 4.039 396 HB3 GLU 69 2HB GLU 69 10.526 0.575 4.316 397 HG2 GLU 69 1HG GLU 69 12.855 0.908 3.987 398 HG3 GLU 69 2HG GLU 69 12.217 0.064 2.580 399 H ILE 70 H ILE 70 8.423 -0.813 1.926 400 HA ILE 70 HA ILE 70 6.214 -0.074 3.775 401 HB ILE 70 HB ILE 70 5.937 -2.094 1.568 402 HG12 ILE 70 1HG1 ILE 70 6.671 -0.017 0.493 403 HG13 ILE 70 2HG1 ILE 70 4.986 -0.364 0.120 404 HG21 ILE 70 1HG2 ILE 70 3.559 -1.547 1.753 405 HG22 ILE 70 2HG2 ILE 70 3.934 -0.387 3.027 406 HG23 ILE 70 3HG2 ILE 70 4.227 -2.107 3.287 407 HD11 ILE 70 3HD1 ILE 70 5.307 1.992 0.542 408 HD12 ILE 70 1HD1 ILE 70 5.989 1.632 2.128 409 HD13 ILE 70 2HD1 ILE 70 4.295 1.274 1.799 410 H THR 71 H THR 71 5.539 -1.598 5.360 411 HA THR 71 HA THR 71 6.799 -4.241 5.210 412 HB THR 71 HB THR 71 8.185 -2.832 6.727 413 HG1 THR 71 HG1 THR 71 8.582 -4.681 7.635 414 HG21 THR 71 3HG2 THR 71 5.580 -2.457 8.080 415 HG22 THR 71 1HG2 THR 71 6.984 -1.379 7.998 416 HG23 THR 71 2HG2 THR 71 6.971 -2.744 9.127 417 H GLY 72 H GLY 72 4.030 -2.352 5.995 418 HA2 GLY 72 1HA GLY 72 2.716 -4.824 6.916 419 HA3 GLY 72 2HA GLY 72 2.457 -3.303 7.750 420 H VAL 73 H VAL 73 0.828 -5.314 6.127 421 HA VAL 73 HA VAL 73 -0.494 -3.511 4.268 422 HB VAL 73 HB VAL 73 -0.241 -5.537 3.137 423 HG11 VAL 73 1HG1 VAL 73 -0.915 -7.103 5.628 424 HG12 VAL 73 2HG1 VAL 73 0.740 -6.707 5.168 425 HG13 VAL 73 3HG1 VAL 73 -0.254 -7.719 4.114 426 HG21 VAL 73 3HG2 VAL 73 -2.381 -6.767 3.298 427 HG22 VAL 73 1HG2 VAL 73 -2.580 -5.014 3.179 428 HG23 VAL 73 2HG2 VAL 73 -2.743 -5.817 4.745 429 H ASN 74 H ASN 74 -2.232 -2.465 5.017 430 HA ASN 74 HA ASN 74 -4.038 -1.870 6.254 431 HB2 ASN 74 1HB ASN 74 -4.671 -4.252 5.274 432 HB3 ASN 74 2HB ASN 74 -4.626 -4.705 6.976 433 HD21 ASN 74 2HD2 ASN 74 -6.886 -4.658 5.202 434 HD22 ASN 74 1HD2 ASN 74 -8.036 -3.560 5.880 435 H GLY 75 H GLY 75 -1.403 -2.345 7.528 436 HA2 GLY 75 1HA GLY 75 -0.896 -1.545 9.719 437 HA3 GLY 75 2HA GLY 75 -2.371 -2.296 10.295 438 H ARG 76 H ARG 76 -1.531 -4.841 8.678 439 HA ARG 76 HA ARG 76 0.257 -5.795 10.775 440 HB2 ARG 76 1HB ARG 76 -0.649 -8.021 9.932 441 HB3 ARG 76 2HB ARG 76 -1.707 -7.017 10.888 442 HG2 ARG 76 1HG ARG 76 -2.754 -6.234 8.813 443 HG3 ARG 76 2HG ARG 76 -1.725 -7.341 7.902 444 HD2 ARG 76 1HD ARG 76 -3.703 -8.134 10.036 445 HD3 ARG 76 2HD ARG 76 -3.955 -8.286 8.299 446 HE ARG 76 HE ARG 76 -1.629 -9.648 8.800 447 HH11 ARG 76 1HH1 ARG 76 -4.912 -9.851 10.001 448 HH12 ARG 76 2HH1 ARG 76 -4.848 -11.570 10.239 449 HH21 ARG 76 1HH2 ARG 76 -1.529 -11.902 9.150 450 HH22 ARG 76 2HH2 ARG 76 -2.927 -12.734 9.760 451 H SER 77 H SER 77 2.110 -6.922 10.268 452 HA SER 77 HA SER 77 3.557 -6.085 8.069 453 HB2 SER 77 1HB SER 77 4.518 -7.010 10.170 454 HB3 SER 77 2HB SER 77 4.033 -8.621 9.644 455 HG SER 77 HG SER 77 5.851 -6.876 8.323 456 H ILE 78 H ILE 78 4.020 -6.864 6.068 457 HA ILE 78 HA ILE 78 2.065 -8.691 4.938 458 HB ILE 78 HB ILE 78 2.759 -8.069 2.822 459 HG12 ILE 78 1HG1 ILE 78 5.184 -8.628 3.214 460 HG13 ILE 78 2HG1 ILE 78 4.890 -7.263 2.149 461 HG21 ILE 78 1HG2 ILE 78 3.219 -5.581 2.876 462 HG22 ILE 78 2HG2 ILE 78 3.238 -5.726 4.634 463 HG23 ILE 78 3HG2 ILE 78 1.783 -6.137 3.728 464 HD11 ILE 78 3HD1 ILE 78 5.668 -7.078 5.050 465 HD12 ILE 78 1HD1 ILE 78 5.436 -5.723 3.946 466 HD13 ILE 78 2HD1 ILE 78 6.753 -6.865 3.678 467 H LYS 79 H LYS 79 5.132 -8.810 6.265 468 HA LYS 79 HA LYS 79 6.441 -10.727 4.677 469 HB2 LYS 79 1HB LYS 79 7.561 -9.173 6.212 470 HB3 LYS 79 2HB LYS 79 6.817 -9.976 7.582 471 HG2 LYS 79 1HG LYS 79 8.078 -12.010 7.070 472 HG3 LYS 79 2HG LYS 79 8.797 -11.210 5.671 473 HD2 LYS 79 1HD LYS 79 9.731 -9.492 7.217 474 HD3 LYS 79 2HD LYS 79 9.133 -10.452 8.571 475 HE2 LYS 79 1HE LYS 79 11.444 -10.976 8.267 476 HE3 LYS 79 2HE LYS 79 10.501 -12.362 7.721 477 HZ1 LYS 79 3HZ LYS 79 10.798 -11.628 5.442 478 HZ2 LYS 79 1HZ LYS 79 12.298 -11.841 6.188 479 HZ3 LYS 79 2HZ LYS 79 11.688 -10.285 5.956 480 H GLY 80 H GLY 80 3.871 -10.981 6.847 481 HA2 GLY 80 1HA GLY 80 4.287 -13.633 7.781 482 HA3 GLY 80 2HA GLY 80 2.767 -12.750 7.797 483 H LYS 81 H LYS 81 3.183 -12.361 4.726 484 HA LYS 81 HA LYS 81 2.654 -15.129 3.937 485 HB2 LYS 81 1HB LYS 81 0.687 -14.459 2.587 486 HB3 LYS 81 2HB LYS 81 0.445 -14.302 4.318 487 HG2 LYS 81 1HG LYS 81 1.152 -11.996 2.526 488 HG3 LYS 81 2HG LYS 81 -0.502 -12.463 2.911 489 HD2 LYS 81 1HD LYS 81 1.612 -11.620 4.885 490 HD3 LYS 81 2HD LYS 81 0.277 -10.636 4.327 491 HE2 LYS 81 1HE LYS 81 0.186 -13.124 6.023 492 HE3 LYS 81 2HE LYS 81 -0.336 -11.501 6.458 493 HZ1 LYS 81 3HZ LYS 81 -2.104 -11.704 4.781 494 HZ2 LYS 81 1HZ LYS 81 -2.234 -12.867 6.002 495 HZ3 LYS 81 2HZ LYS 81 -1.633 -13.301 4.486 496 H THR 82 H THR 82 1.664 -13.278 1.372 497 HA THR 82 HA THR 82 4.360 -13.308 0.220 498 HB THR 82 HB THR 82 2.130 -14.729 -1.217 499 HG1 THR 82 HG1 THR 82 2.270 -16.180 0.333 500 HG21 THR 82 3HG2 THR 82 4.089 -14.086 -2.531 501 HG22 THR 82 1HG2 THR 82 3.998 -15.838 -2.363 502 HG23 THR 82 2HG2 THR 82 5.141 -14.918 -1.386 503 H LYS 83 H LYS 83 4.501 -12.253 -1.845 504 HA LYS 83 HA LYS 83 3.387 -9.768 -2.003 505 HB2 LYS 83 1HB LYS 83 3.943 -11.012 -4.624 506 HB3 LYS 83 2HB LYS 83 4.587 -9.535 -3.920 507 HG2 LYS 83 1HG LYS 83 5.865 -11.163 -2.364 508 HG3 LYS 83 2HG LYS 83 5.539 -12.342 -3.626 509 HD2 LYS 83 1HD LYS 83 7.680 -11.385 -4.062 510 HD3 LYS 83 2HD LYS 83 6.555 -10.741 -5.257 511 HE2 LYS 83 1HE LYS 83 6.402 -8.662 -4.116 512 HE3 LYS 83 2HE LYS 83 7.246 -9.302 -2.706 513 HZ1 LYS 83 3HZ LYS 83 8.429 -8.940 -5.401 514 HZ2 LYS 83 1HZ LYS 83 9.233 -9.517 -4.028 515 HZ3 LYS 83 2HZ LYS 83 8.680 -7.923 -4.069 516 H VAL 84 H VAL 84 2.344 -12.607 -3.829 517 HA VAL 84 HA VAL 84 0.166 -11.567 -5.181 518 HB VAL 84 HB VAL 84 -0.476 -14.129 -4.059 519 HG11 VAL 84 1HG1 VAL 84 0.273 -13.229 -6.803 520 HG12 VAL 84 2HG1 VAL 84 -1.348 -13.369 -6.117 521 HG13 VAL 84 3HG1 VAL 84 -0.384 -14.817 -6.409 522 HG21 VAL 84 3HG2 VAL 84 1.418 -15.418 -4.941 523 HG22 VAL 84 1HG2 VAL 84 1.830 -14.403 -3.561 524 HG23 VAL 84 2HG2 VAL 84 2.292 -13.907 -5.193 525 H GLU 85 H GLU 85 0.246 -13.244 -2.145 526 HA GLU 85 HA GLU 85 -2.466 -13.164 -1.663 527 HB2 GLU 85 1HB GLU 85 -0.192 -13.546 0.279 528 HB3 GLU 85 2HB GLU 85 -1.875 -13.927 0.612 529 HG2 GLU 85 1HG GLU 85 -1.855 -15.547 -1.237 530 HG3 GLU 85 2HG GLU 85 -0.155 -15.181 -1.513 531 H VAL 86 H VAL 86 0.047 -10.886 -0.804 532 HA VAL 86 HA VAL 86 -1.461 -9.491 1.166 533 HB VAL 86 HB VAL 86 0.211 -7.742 1.032 534 HG11 VAL 86 1HG1 VAL 86 1.249 -10.562 1.018 535 HG12 VAL 86 2HG1 VAL 86 0.809 -9.572 2.416 536 HG13 VAL 86 3HG1 VAL 86 2.244 -9.180 1.467 537 HG21 VAL 86 3HG2 VAL 86 1.392 -9.273 -1.259 538 HG22 VAL 86 1HG2 VAL 86 2.110 -7.869 -0.468 539 HG23 VAL 86 2HG2 VAL 86 0.600 -7.698 -1.365 540 H ALA 87 H ALA 87 -0.832 -8.829 -2.268 541 HA ALA 87 HA ALA 87 -2.455 -6.585 -2.653 542 HB1 ALA 87 3HB ALA 87 -2.779 -7.405 -4.952 543 HB2 ALA 87 1HB ALA 87 -2.122 -8.973 -4.485 544 HB3 ALA 87 2HB ALA 87 -1.097 -7.538 -4.443 545 H LYS 88 H LYS 88 -3.325 -10.020 -2.503 546 HA LYS 88 HA LYS 88 -6.078 -9.790 -2.933 547 HB2 LYS 88 1HB LYS 88 -4.999 -11.950 -2.874 548 HB3 LYS 88 2HB LYS 88 -4.578 -11.729 -1.182 549 HG2 LYS 88 1HG LYS 88 -6.847 -11.845 -0.529 550 HG3 LYS 88 2HG LYS 88 -7.394 -11.775 -2.197 551 HD2 LYS 88 1HD LYS 88 -7.528 -14.049 -1.377 552 HD3 LYS 88 2HD LYS 88 -6.312 -13.895 -2.651 553 HE2 LYS 88 1HE LYS 88 -5.394 -15.252 -0.905 554 HE3 LYS 88 2HE LYS 88 -4.587 -13.687 -0.900 555 HZ1 LYS 88 3HZ LYS 88 -5.154 -14.446 1.338 556 HZ2 LYS 88 1HZ LYS 88 -6.792 -14.463 0.924 557 HZ3 LYS 88 2HZ LYS 88 -5.944 -13.002 0.953 558 H MET 89 H MET 89 -4.221 -9.729 0.096 559 HA MET 89 HA MET 89 -6.263 -9.433 1.928 560 HB2 MET 89 1HB MET 89 -3.534 -8.190 1.932 561 HB3 MET 89 2HB MET 89 -4.590 -8.210 3.330 562 HG2 MET 89 1HG MET 89 -4.551 -10.660 3.293 563 HG3 MET 89 2HG MET 89 -3.446 -10.608 1.918 564 HE1 MET 89 3HE MET 89 -2.435 -9.088 6.160 565 HE2 MET 89 1HE MET 89 -3.988 -9.772 5.685 566 HE3 MET 89 2HE MET 89 -3.495 -8.194 5.073 567 H ILE 90 H ILE 90 -4.678 -6.992 -0.021 568 HA ILE 90 HA ILE 90 -6.070 -4.806 1.144 569 HB ILE 90 HB ILE 90 -4.411 -5.065 -1.362 570 HG12 ILE 90 1HG1 ILE 90 -3.916 -3.617 1.247 571 HG13 ILE 90 2HG1 ILE 90 -3.346 -5.245 0.899 572 HG21 ILE 90 1HG2 ILE 90 -5.651 -2.557 -0.224 573 HG22 ILE 90 2HG2 ILE 90 -6.055 -3.318 -1.763 574 HG23 ILE 90 3HG2 ILE 90 -4.454 -2.621 -1.521 575 HD11 ILE 90 3HD1 ILE 90 -2.607 -2.823 -0.711 576 HD12 ILE 90 1HD1 ILE 90 -1.923 -4.443 -0.834 577 HD13 ILE 90 2HD1 ILE 90 -1.641 -3.475 0.613 578 H GLN 91 H GLN 91 -6.582 -6.735 -1.819 579 HA GLN 91 HA GLN 91 -8.834 -5.176 -2.639 580 HB2 GLN 91 1HB GLN 91 -7.986 -7.945 -3.473 581 HB3 GLN 91 2HB GLN 91 -9.194 -6.965 -4.266 582 HG2 GLN 91 1HG GLN 91 -6.274 -6.324 -4.034 583 HG3 GLN 91 2HG GLN 91 -7.123 -6.903 -5.463 584 HE21 GLN 91 2HE2 GLN 91 -8.397 -5.515 -6.637 585 HE22 GLN 91 1HE2 GLN 91 -8.376 -3.804 -6.394 586 H GLU 92 H GLU 92 -8.365 -7.859 -0.518 587 HA GLU 92 HA GLU 92 -10.937 -9.006 -0.579 588 HB2 GLU 92 1HB GLU 92 -9.114 -10.197 0.419 589 HB3 GLU 92 2HB GLU 92 -8.811 -8.917 1.568 590 HG2 GLU 92 1HG GLU 92 -9.878 -10.698 2.706 591 HG3 GLU 92 2HG GLU 92 -11.037 -9.387 2.540 592 H VAL 93 H VAL 93 -9.484 -6.692 1.678 593 HA VAL 93 HA VAL 93 -11.999 -5.917 2.793 594 HB VAL 93 HB VAL 93 -10.853 -4.242 3.983 595 HG11 VAL 93 1HG1 VAL 93 -10.188 -6.440 4.705 596 HG12 VAL 93 2HG1 VAL 93 -8.811 -5.345 4.835 597 HG13 VAL 93 3HG1 VAL 93 -8.906 -6.488 3.492 598 HG21 VAL 93 3HG2 VAL 93 -8.588 -3.421 3.397 599 HG22 VAL 93 1HG2 VAL 93 -9.793 -3.057 2.160 600 HG23 VAL 93 2HG2 VAL 93 -8.654 -4.382 1.919 601 H LYS 94 H LYS 94 -13.127 -3.920 2.350 602 HA LYS 94 HA LYS 94 -12.417 -2.721 -0.232 603 HB2 LYS 94 1HB LYS 94 -14.234 -4.400 -0.535 604 HB3 LYS 94 2HB LYS 94 -15.228 -3.479 0.586 605 HG2 LYS 94 1HG LYS 94 -15.159 -1.561 -0.922 606 HG3 LYS 94 2HG LYS 94 -14.159 -2.481 -2.046 607 HD2 LYS 94 1HD LYS 94 -15.954 -4.083 -2.368 608 HD3 LYS 94 2HD LYS 94 -16.949 -3.235 -1.183 609 HE2 LYS 94 1HE LYS 94 -15.949 -2.096 -3.792 610 HE3 LYS 94 2HE LYS 94 -17.589 -2.658 -3.475 611 HZ1 LYS 94 3HZ LYS 94 -16.222 -0.380 -2.150 612 HZ2 LYS 94 1HZ LYS 94 -17.759 -0.950 -1.737 613 HZ3 LYS 94 2HZ LYS 94 -17.486 -0.279 -3.265 614 H GLY 95 H GLY 95 -12.829 -0.546 -0.432 615 HA2 GLY 95 1HA GLY 95 -14.042 1.418 0.224 616 HA3 GLY 95 2HA GLY 95 -14.185 0.739 1.836 617 H GLU 96 H GLU 96 -11.509 -0.003 2.317 618 HA GLU 96 HA GLU 96 -10.152 2.551 2.162 619 HB2 GLU 96 1HB GLU 96 -9.746 2.685 4.517 620 HB3 GLU 96 2HB GLU 96 -11.481 2.548 4.256 621 HG2 GLU 96 1HG GLU 96 -11.447 0.254 4.848 622 HG3 GLU 96 2HG GLU 96 -9.701 0.231 4.919 623 H VAL 97 H VAL 97 -8.047 2.332 3.426 624 HA VAL 97 HA VAL 97 -6.738 -0.251 3.177 625 HB VAL 97 HB VAL 97 -4.970 0.439 1.731 626 HG11 VAL 97 1HG1 VAL 97 -7.128 -0.177 0.621 627 HG12 VAL 97 2HG1 VAL 97 -6.022 0.779 -0.359 628 HG13 VAL 97 3HG1 VAL 97 -7.420 1.551 0.393 629 HG21 VAL 97 3HG2 VAL 97 -4.673 2.704 2.538 630 HG22 VAL 97 1HG2 VAL 97 -6.170 3.203 1.751 631 HG23 VAL 97 2HG2 VAL 97 -4.790 2.692 0.779 632 H THR 98 H THR 98 -4.665 -0.250 4.290 633 HA THR 98 HA THR 98 -3.868 2.273 5.506 634 HB THR 98 HB THR 98 -4.066 -0.261 7.144 635 HG1 THR 98 HG1 THR 98 -5.981 1.466 6.466 636 HG21 THR 98 3HG2 THR 98 -3.493 2.591 7.938 637 HG22 THR 98 1HG2 THR 98 -2.290 1.310 7.801 638 HG23 THR 98 2HG2 THR 98 -3.560 1.199 9.017 639 H ILE 99 H ILE 99 -1.765 2.607 5.156 640 HA ILE 99 HA ILE 99 -0.060 0.281 4.577 641 HB ILE 99 HB ILE 99 1.614 2.261 3.985 642 HG12 ILE 99 1HG1 ILE 99 -0.163 4.017 4.562 643 HG13 ILE 99 2HG1 ILE 99 0.646 4.176 3.012 644 HG21 ILE 99 1HG2 ILE 99 -0.519 1.236 2.131 645 HG22 ILE 99 2HG2 ILE 99 1.037 0.483 2.479 646 HG23 ILE 99 3HG2 ILE 99 0.975 2.031 1.630 647 HD11 ILE 99 3HD1 ILE 99 -2.066 2.949 3.390 648 HD12 ILE 99 1HD1 ILE 99 -1.250 3.246 1.857 649 HD13 ILE 99 2HD1 ILE 99 -1.755 4.599 2.865 650 H HIS 100 H HIS 100 1.730 -0.140 5.806 651 HA HIS 100 HA HIS 100 2.276 1.717 8.010 652 HB2 HIS 100 1HB HIS 100 1.294 -1.040 8.210 653 HB3 HIS 100 2HB HIS 100 2.724 -0.724 9.184 654 HD1 HIS 100 HD1 HIS 100 2.038 -0.222 11.493 655 HD2 HIS 100 HD2 HIS 100 -0.602 1.400 8.728 656 HE1 HIS 100 HE1 HIS 100 0.289 0.969 12.849 657 HE2 HIS 100 HE2 HIS 100 -1.413 1.744 11.160 658 H TYR 101 H TYR 101 4.295 2.285 8.000 659 HA TYR 101 HA TYR 101 6.311 0.635 8.717 660 HB2 TYR 101 1HB TYR 101 6.154 -0.269 6.328 661 HB3 TYR 101 2HB TYR 101 6.828 1.269 5.811 662 HD1 TYR 101 HD2 TYR 101 8.203 0.514 8.970 663 HD2 TYR 101 HD1 TYR 101 8.512 -0.588 4.874 664 HE1 TYR 101 HE2 TYR 101 10.453 -0.375 9.384 665 HE2 TYR 101 HE1 TYR 101 10.761 -1.482 5.282 666 HH TYR 101 HH TYR 101 12.606 -1.185 6.906 667 H ASN 102 H ASN 102 7.866 2.416 6.406 668 HA ASN 102 HA ASN 102 8.357 4.777 7.871 669 HB2 ASN 102 1HB ASN 102 9.655 2.209 8.704 670 HB3 ASN 102 2HB ASN 102 10.674 3.668 8.679 671 HD21 ASN 102 2HD2 ASN 102 10.103 5.400 10.078 672 HD22 ASN 102 1HD2 ASN 102 9.154 5.125 11.490 673 H LYS 103 H LYS 103 10.896 5.301 7.360 674 HA LYS 103 HA LYS 103 11.573 4.151 4.743 675 HB2 LYS 103 1HB LYS 103 12.076 6.961 5.742 676 HB3 LYS 103 2HB LYS 103 12.746 6.301 4.256 677 HG2 LYS 103 1HG LYS 103 10.942 7.389 3.427 678 HG3 LYS 103 2HG LYS 103 10.218 5.814 3.724 679 HD2 LYS 103 1HD LYS 103 9.519 6.743 5.990 680 HD3 LYS 103 2HD LYS 103 9.967 8.329 5.355 681 HE2 LYS 103 1HE LYS 103 8.446 7.692 3.367 682 HE3 LYS 103 2HE LYS 103 7.796 6.477 4.455 683 HZ1 LYS 103 3HZ LYS 103 7.216 8.228 6.013 684 HZ2 LYS 103 1HZ LYS 103 6.486 8.498 4.512 685 HZ3 LYS 103 2HZ LYS 103 7.839 9.398 4.965 686 H LEU 104 H LEU 104 13.921 4.178 4.299 687 HA LEU 104 HA LEU 104 16.068 3.699 4.756 688 HB2 LEU 104 1HB LEU 104 17.220 5.140 6.394 689 HB3 LEU 104 2HB LEU 104 16.235 6.008 5.243 690 HG LEU 104 HG LEU 104 14.465 5.889 7.232 691 HD11 LEU 104 1HD1 LEU 104 15.749 4.648 8.783 692 HD12 LEU 104 2HD1 LEU 104 15.682 6.315 9.367 693 HD13 LEU 104 3HD1 LEU 104 17.139 5.712 8.581 694 HD21 LEU 104 3HD2 LEU 104 15.258 7.910 6.142 695 HD22 LEU 104 1HD2 LEU 104 16.736 7.858 7.100 696 HD23 LEU 104 2HD2 LEU 104 15.180 8.111 7.891 697 H GLN 105 H GLN 105 17.295 3.838 7.468 698 HA GLN 105 HA GLN 105 17.808 2.506 9.217 699 HB2 GLN 105 1HB GLN 105 15.406 2.225 9.722 700 HB3 GLN 105 2HB GLN 105 15.333 0.885 8.584 701 HG2 GLN 105 1HG GLN 105 17.031 -0.297 9.956 702 HG3 GLN 105 2HG GLN 105 16.934 1.012 11.130 703 HE21 GLN 105 2HE2 GLN 105 15.126 1.199 12.416 704 HE22 GLN 105 1HE2 GLN 105 13.956 -0.068 12.572 705 H ALA 106 H ALA 106 19.501 2.173 7.682 706 HA ALA 106 HA ALA 106 19.450 -0.448 6.366 707 HB1 ALA 106 3HB ALA 106 21.287 1.881 5.837 708 HB2 ALA 106 1HB ALA 106 19.825 1.512 4.924 709 HB3 ALA 106 2HB ALA 106 21.184 0.387 4.907 710 H ASP 107 H ASP 107 21.575 -1.511 6.199 711 HA ASP 107 HA ASP 107 23.355 -1.232 8.502 712 HB2 ASP 107 1HB ASP 107 21.776 -3.739 7.846 713 HB3 ASP 107 2HB ASP 107 23.187 -3.734 8.888 714 HA PRO 108 HA PRO 108 26.767 -2.327 5.828 715 HB2 PRO 108 1HB PRO 108 26.530 -5.043 7.097 716 HB3 PRO 108 2HB PRO 108 27.986 -4.149 6.654 717 HG2 PRO 108 1HG PRO 108 27.063 -4.135 9.169 718 HG3 PRO 108 2HG PRO 108 27.808 -2.698 8.449 719 HD2 PRO 108 1HD PRO 108 25.010 -3.161 9.185 720 HD3 PRO 108 2HD PRO 108 25.834 -1.637 8.814 721 H LYS 109 H LYS 109 24.528 -5.053 6.195 722 HA LYS 109 HA LYS 109 24.873 -6.264 3.721 723 HB2 LYS 109 1HB LYS 109 22.595 -7.237 4.167 724 HB3 LYS 109 2HB LYS 109 23.736 -7.412 5.494 725 HG2 LYS 109 1HG LYS 109 22.710 -5.390 6.541 726 HG3 LYS 109 2HG LYS 109 21.473 -5.420 5.278 727 HD2 LYS 109 1HD LYS 109 22.057 -7.678 7.212 728 HD3 LYS 109 2HD LYS 109 20.769 -6.497 7.414 729 HE2 LYS 109 1HE LYS 109 21.020 -8.348 5.048 730 HE3 LYS 109 2HE LYS 109 20.028 -8.679 6.465 731 HZ1 LYS 109 3HZ LYS 109 19.692 -6.484 4.508 732 HZ2 LYS 109 1HZ LYS 109 18.854 -6.549 5.977 733 HZ3 LYS 109 2HZ LYS 109 18.628 -7.758 4.820 734 H GLN 110 H GLN 110 22.469 -3.857 4.665 735 HA GLN 110 HA GLN 110 21.421 -3.695 1.970 736 HB2 GLN 110 1HB GLN 110 20.636 -2.650 4.647 737 HB3 GLN 110 2HB GLN 110 19.934 -1.969 3.208 738 HG2 GLN 110 1HG GLN 110 19.837 -4.850 3.965 739 HG3 GLN 110 2HG GLN 110 18.561 -3.681 4.257 740 HE21 GLN 110 2HE2 GLN 110 18.466 -6.119 2.696 741 HE22 GLN 110 1HE2 GLN 110 18.016 -5.659 1.096 742 H LEU 111 H LEU 111 23.786 -2.300 3.845 743 HA LEU 111 HA LEU 111 23.520 0.415 3.010 744 HB2 LEU 111 1HB LEU 111 24.463 -0.263 5.183 745 HB3 LEU 111 2HB LEU 111 25.792 -1.043 4.362 746 HG LEU 111 HG LEU 111 26.240 1.224 5.437 747 HD11 LEU 111 1HD1 LEU 111 26.866 0.860 2.515 748 HD12 LEU 111 2HD1 LEU 111 27.792 0.225 3.874 749 HD13 LEU 111 3HD1 LEU 111 27.694 1.968 3.611 750 HD21 LEU 111 3HD2 LEU 111 24.191 2.325 4.698 751 HD22 LEU 111 1HD2 LEU 111 24.716 2.186 3.020 752 HD23 LEU 111 2HD2 LEU 111 25.623 3.195 4.147 753 H GLU 112 H GLU 112 25.494 -2.388 2.132 754 HA GLU 112 HA GLU 112 26.982 -1.032 0.103 755 HB2 GLU 112 1HB GLU 112 27.492 -3.334 -0.709 756 HB3 GLU 112 2HB GLU 112 27.830 -3.103 1.003 757 HG2 GLU 112 1HG GLU 112 25.905 -4.292 1.644 758 HG3 GLU 112 2HG GLU 112 25.263 -4.273 0.003 759 H VAL 113 H VAL 113 23.863 -2.509 0.302 760 HA VAL 113 HA VAL 113 23.240 -2.625 -2.456 761 HB VAL 113 HB VAL 113 21.405 -2.239 -0.081 762 HG11 VAL 113 1HG1 VAL 113 20.767 -3.133 -2.888 763 HG12 VAL 113 2HG1 VAL 113 20.317 -1.590 -2.159 764 HG13 VAL 113 3HG1 VAL 113 19.638 -3.093 -1.533 765 HG21 VAL 113 3HG2 VAL 113 22.741 -4.270 0.069 766 HG22 VAL 113 1HG2 VAL 113 22.212 -4.745 -1.545 767 HG23 VAL 113 2HG2 VAL 113 21.044 -4.646 -0.227 768 H LEU 114 H LEU 114 22.766 -0.180 0.056 769 HA LEU 114 HA LEU 114 21.656 1.777 -1.689 770 HB2 LEU 114 1HB LEU 114 22.658 1.725 1.106 771 HB3 LEU 114 2HB LEU 114 22.625 3.283 0.307 772 HG LEU 114 HG LEU 114 20.616 2.908 1.660 773 HD11 LEU 114 1HD1 LEU 114 18.964 3.499 -0.014 774 HD12 LEU 114 2HD1 LEU 114 20.031 2.925 -1.295 775 HD13 LEU 114 3HD1 LEU 114 20.490 4.326 -0.327 776 HD21 LEU 114 3HD2 LEU 114 18.961 1.240 1.005 777 HD22 LEU 114 1HD2 LEU 114 20.480 0.478 1.477 778 HD23 LEU 114 2HD2 LEU 114 20.059 0.624 -0.229 779 H PHE 115 H PHE 115 24.807 0.646 -1.007 780 HA PHE 115 HA PHE 115 26.228 2.994 -1.819 781 HB2 PHE 115 1HB PHE 115 27.234 1.331 -0.325 782 HB3 PHE 115 2HB PHE 115 27.126 0.116 -1.591 783 HD1 PHE 115 HD1 PHE 115 28.599 3.486 -0.971 784 HD2 PHE 115 HD2 PHE 115 28.955 -0.280 -2.922 785 HE1 PHE 115 HE1 PHE 115 30.826 4.125 -1.792 786 HE2 PHE 115 HE2 PHE 115 31.186 0.352 -3.745 787 HZ PHE 115 HZ PHE 115 32.125 2.557 -3.180 788 H GLN 116 H GLN 116 25.185 0.012 -3.385 789 HA GLN 116 HA GLN 116 25.665 1.288 -5.963 790 HB2 GLN 116 1HB GLN 116 27.687 -0.028 -5.479 791 HB3 GLN 116 2HB GLN 116 26.701 -1.466 -5.273 792 HG2 GLN 116 1HG GLN 116 27.770 -1.453 -7.445 793 HG3 GLN 116 2HG GLN 116 26.019 -1.349 -7.609 794 HE21 GLN 116 2HE2 GLN 116 28.007 1.361 -6.663 795 HE22 GLN 116 1HE2 GLN 116 27.796 2.274 -8.113 796 H GLY 117 H GLY 117 24.671 -1.924 -4.687 797 HA2 GLY 117 1HA GLY 117 22.008 -1.786 -5.512 798 HA3 GLY 117 2HA GLY 117 22.934 -2.382 -6.879 799 HA PRO 118 HA PRO 118 24.435 -6.489 -5.523 800 HB2 PRO 118 1HB PRO 118 25.171 -5.211 -2.909 801 HB3 PRO 118 2HB PRO 118 25.990 -6.495 -3.791 802 HG2 PRO 118 1HG PRO 118 26.544 -3.755 -4.007 803 HG3 PRO 118 2HG PRO 118 27.101 -5.024 -5.110 804 HD2 PRO 118 1HD PRO 118 25.380 -2.949 -5.804 805 HD3 PRO 118 2HD PRO 118 25.535 -4.481 -6.692 806 H GLN 119 H GLN 119 22.022 -6.660 -5.588 807 HA GLN 119 HA GLN 119 21.205 -8.397 -3.550 808 HB2 GLN 119 1HB GLN 119 20.822 -6.187 -2.371 809 HB3 GLN 119 2HB GLN 119 19.640 -5.805 -3.611 810 HG2 GLN 119 1HG GLN 119 18.396 -7.871 -2.944 811 HG3 GLN 119 2HG GLN 119 19.512 -8.026 -1.589 812 HE21 GLN 119 2HE2 GLN 119 19.693 -5.124 -1.257 813 HE22 GLN 119 1HE2 GLN 119 18.219 -4.636 -0.499 814 H PHE 120 H PHE 120 21.537 -8.518 -6.246 815 HA PHE 120 HA PHE 120 19.112 -7.938 -7.678 816 HB2 PHE 120 1HB PHE 120 21.609 -9.436 -8.507 817 HB3 PHE 120 2HB PHE 120 20.290 -9.007 -9.590 818 HD1 PHE 120 HD1 PHE 120 23.111 -7.726 -7.633 819 HD2 PHE 120 HD2 PHE 120 19.993 -6.750 -10.357 820 HE1 PHE 120 HE1 PHE 120 24.176 -5.552 -8.068 821 HE2 PHE 120 HE2 PHE 120 21.052 -4.575 -10.796 822 HZ PHE 120 HZ PHE 120 23.145 -3.973 -9.652 823 H THR 121 H THR 121 17.993 -9.300 -5.948 824 HA THR 121 HA THR 121 18.077 -12.166 -6.435 825 HB THR 121 HB THR 121 16.240 -10.664 -4.567 826 HG1 THR 121 HG1 THR 121 18.957 -11.075 -4.434 827 HG21 THR 121 3HG2 THR 121 15.664 -13.008 -5.001 828 HG22 THR 121 1HG2 THR 121 16.215 -12.781 -3.340 829 HG23 THR 121 2HG2 THR 121 17.296 -13.494 -4.539 830 H LEU 122 H LEU 122 16.621 -13.243 -7.641 831 HA LEU 122 HA LEU 122 14.808 -11.799 -9.295 832 HB2 LEU 122 1HB LEU 122 15.050 -14.774 -8.846 833 HB3 LEU 122 2HB LEU 122 14.174 -14.008 -10.156 834 HG LEU 122 HG LEU 122 17.161 -13.879 -9.729 835 HD11 LEU 122 1HD1 LEU 122 15.511 -15.369 -11.763 836 HD12 LEU 122 2HD1 LEU 122 16.431 -16.082 -10.438 837 HD13 LEU 122 3HD1 LEU 122 17.271 -15.256 -11.750 838 HD21 LEU 122 3HD2 LEU 122 17.201 -12.822 -11.944 839 HD22 LEU 122 1HD2 LEU 122 16.330 -11.847 -10.761 840 HD23 LEU 122 2HD2 LEU 122 15.438 -12.794 -11.952 841 H ARG 123 H ARG 123 13.105 -10.870 -8.337 842 HA ARG 123 HA ARG 123 11.304 -12.606 -6.794 843 HB2 ARG 123 1HB ARG 123 12.063 -9.748 -6.169 844 HB3 ARG 123 2HB ARG 123 10.712 -10.586 -5.420 845 HG2 ARG 123 1HG ARG 123 13.618 -11.356 -5.222 846 HG3 ARG 123 2HG ARG 123 12.642 -10.600 -3.960 847 HD2 ARG 123 1HD ARG 123 11.187 -12.552 -3.897 848 HD3 ARG 123 2HD ARG 123 12.117 -13.300 -5.191 849 HE ARG 123 HE ARG 123 13.261 -12.686 -2.545 850 HH11 ARG 123 1HH1 ARG 123 12.855 -14.798 -5.305 851 HH12 ARG 123 2HH1 ARG 123 13.866 -16.051 -4.659 852 HH21 ARG 123 1HH2 ARG 123 14.601 -14.332 -1.691 853 HH22 ARG 123 2HH2 ARG 123 14.867 -15.781 -2.606 854 H HIS 124 H HIS 124 9.155 -12.356 -7.156 855 HA HIS 124 HA HIS 124 8.381 -11.090 -9.616 856 HB2 HIS 124 1HB HIS 124 6.769 -12.504 -7.478 857 HB3 HIS 124 2HB HIS 124 6.081 -11.887 -8.973 858 HD1 HIS 124 HD1 HIS 124 6.577 -13.202 -11.142 859 HD2 HIS 124 HD2 HIS 124 8.289 -14.845 -7.730 860 HE1 HIS 124 HE1 HIS 124 7.360 -15.496 -11.814 861 HE2 HIS 124 HE2 HIS 124 8.539 -16.400 -9.778 862 H TRP 125 H TRP 125 6.499 -9.578 -9.699 863 HA TRP 125 HA TRP 125 6.592 -7.725 -7.414 864 HB2 TRP 125 1HB TRP 125 6.350 -5.865 -8.960 865 HB3 TRP 125 2HB TRP 125 7.751 -6.827 -9.412 866 HD1 TRP 125 HD1 TRP 125 7.347 -8.525 -11.588 867 HE1 TRP 125 HE1 TRP 125 5.918 -8.134 -13.693 868 HE3 TRP 125 HE3 TRP 125 4.359 -4.765 -9.848 869 HZ2 TRP 125 HZ2 TRP 125 3.808 -6.447 -14.506 870 HZ3 TRP 125 HZ3 TRP 125 2.664 -3.813 -11.353 871 HH2 TRP 125 HH2 TRP 125 2.397 -4.637 -13.634 872 H LEU 126 H LEU 126 4.706 -6.854 -6.706 873 HA LEU 126 HA LEU 126 2.228 -7.901 -7.923 874 HB2 LEU 126 1HB LEU 126 1.235 -7.980 -5.787 875 HB3 LEU 126 2HB LEU 126 2.848 -8.610 -5.540 876 HG LEU 126 HG LEU 126 3.155 -5.920 -5.061 877 HD11 LEU 126 1HD1 LEU 126 0.701 -5.645 -5.100 878 HD12 LEU 126 2HD1 LEU 126 1.417 -5.259 -3.536 879 HD13 LEU 126 3HD1 LEU 126 0.583 -6.794 -3.767 880 HD21 LEU 126 3HD2 LEU 126 2.669 -8.232 -3.215 881 HD22 LEU 126 1HD2 LEU 126 3.228 -6.652 -2.667 882 HD23 LEU 126 2HD2 LEU 126 4.218 -7.602 -3.775 883 H LYS 127 H LYS 127 0.319 -6.378 -7.484 884 HA LYS 127 HA LYS 127 1.029 -3.627 -7.104 885 HB2 LYS 127 1HB LYS 127 0.076 -2.831 -9.205 886 HB3 LYS 127 2HB LYS 127 1.466 -3.864 -9.491 887 HG2 LYS 127 1HG LYS 127 0.048 -5.683 -10.153 888 HG3 LYS 127 2HG LYS 127 -1.395 -4.775 -9.701 889 HD2 LYS 127 1HD LYS 127 0.558 -3.900 -11.826 890 HD3 LYS 127 2HD LYS 127 -0.913 -4.808 -12.158 891 HE2 LYS 127 1HE LYS 127 -0.799 -2.100 -10.830 892 HE3 LYS 127 2HE LYS 127 -1.185 -2.386 -12.524 893 HZ1 LYS 127 3HZ LYS 127 -3.120 -3.671 -11.812 894 HZ2 LYS 127 1HZ LYS 127 -3.185 -2.085 -11.227 895 HZ3 LYS 127 2HZ LYS 127 -2.757 -3.354 -10.193 896 H VAL 128 H VAL 128 -0.474 -2.675 -5.984 897 HA VAL 128 HA VAL 128 -3.256 -3.448 -6.496 898 HB VAL 128 HB VAL 128 -3.182 -2.075 -4.032 899 HG11 VAL 128 1HG1 VAL 128 -3.746 -4.969 -4.613 900 HG12 VAL 128 2HG1 VAL 128 -4.886 -3.632 -4.780 901 HG13 VAL 128 3HG1 VAL 128 -4.261 -4.064 -3.190 902 HG21 VAL 128 3HG2 VAL 128 -0.966 -2.685 -3.566 903 HG22 VAL 128 1HG2 VAL 128 -1.210 -4.333 -4.148 904 HG23 VAL 128 2HG2 VAL 128 -1.987 -3.798 -2.657 Start of MODEL 5 1 H1 GLY 13 1H GLY 13 8.412 9.878 19.128 2 H2 GLY 13 2H GLY 13 8.468 8.966 20.548 3 H3 GLY 13 3H GLY 13 7.539 10.374 20.488 4 HA2 GLY 13 1HA GLY 13 6.094 8.487 20.343 5 HA3 GLY 13 2HA GLY 13 6.090 9.371 18.826 6 H SER 14 H SER 14 8.836 8.314 18.208 7 HA SER 14 HA SER 14 8.173 5.515 17.671 8 HB2 SER 14 1HB SER 14 7.481 6.924 15.723 9 HB3 SER 14 2HB SER 14 9.156 7.446 15.556 10 HG SER 14 HG SER 14 9.659 5.593 14.689 11 HA PRO 15 HA PRO 15 12.464 5.875 19.286 12 HB2 PRO 15 1HB PRO 15 11.941 3.098 20.097 13 HB3 PRO 15 2HB PRO 15 12.444 4.476 21.077 14 HG2 PRO 15 1HG PRO 15 9.969 3.438 21.249 15 HG3 PRO 15 2HG PRO 15 10.278 5.173 21.450 16 HD2 PRO 15 1HD PRO 15 9.205 3.699 19.077 17 HD3 PRO 15 2HD PRO 15 8.710 5.266 19.748 18 H GLY 16 H GLY 16 10.937 3.316 17.411 19 HA2 GLY 16 1HA GLY 16 13.466 2.163 16.614 20 HA3 GLY 16 2HA GLY 16 11.872 1.664 16.072 21 H ILE 17 H ILE 17 10.885 2.774 14.349 22 HA ILE 17 HA ILE 17 12.717 3.638 12.349 23 HB ILE 17 HB ILE 17 10.684 4.075 10.983 24 HG12 ILE 17 1HG1 ILE 17 9.285 3.249 13.532 25 HG13 ILE 17 2HG1 ILE 17 9.125 4.775 12.671 26 HG21 ILE 17 1HG2 ILE 17 9.989 1.716 10.861 27 HG22 ILE 17 2HG2 ILE 17 10.830 1.411 12.380 28 HG23 ILE 17 3HG2 ILE 17 11.739 1.906 10.952 29 HD11 ILE 17 3HD1 ILE 17 8.223 2.090 11.665 30 HD12 ILE 17 1HD1 ILE 17 8.045 3.628 10.820 31 HD13 ILE 17 2HD1 ILE 17 7.189 3.351 12.338 32 HA PRO 18 HA PRO 18 13.100 7.857 13.145 33 HB2 PRO 18 1HB PRO 18 13.129 8.980 10.653 34 HB3 PRO 18 2HB PRO 18 14.479 8.075 11.344 35 HG2 PRO 18 1HG PRO 18 12.401 7.186 9.401 36 HG3 PRO 18 2HG PRO 18 14.126 6.814 9.443 37 HD2 PRO 18 1HD PRO 18 12.234 5.099 10.265 38 HD3 PRO 18 2HD PRO 18 13.854 5.129 10.965 39 H VAL 19 H VAL 19 11.170 8.393 10.216 40 HA VAL 19 HA VAL 19 9.094 9.566 11.881 41 HB VAL 19 HB VAL 19 9.657 9.893 8.940 42 HG11 VAL 19 1HG1 VAL 19 7.616 11.235 10.670 43 HG12 VAL 19 2HG1 VAL 19 7.302 10.012 9.443 44 HG13 VAL 19 3HG1 VAL 19 7.932 11.591 8.973 45 HG21 VAL 19 3HG2 VAL 19 10.029 11.820 11.227 46 HG22 VAL 19 1HG2 VAL 19 10.272 12.195 9.521 47 HG23 VAL 19 2HG2 VAL 19 11.315 11.022 10.324 48 HA PRO 20 HA PRO 20 6.973 5.735 11.033 49 HB2 PRO 20 1HB PRO 20 4.630 6.506 12.217 50 HB3 PRO 20 2HB PRO 20 6.033 5.897 13.094 51 HG2 PRO 20 1HG PRO 20 5.167 8.724 12.656 52 HG3 PRO 20 2HG PRO 20 5.782 7.959 14.134 53 HD2 PRO 20 1HD PRO 20 7.356 9.481 12.572 54 HD3 PRO 20 2HD PRO 20 7.984 8.052 13.416 55 H GLY 21 H GLY 21 5.952 5.149 9.273 56 HA2 GLY 21 1HA GLY 21 4.314 7.158 7.862 57 HA3 GLY 21 2HA GLY 21 5.253 5.918 7.055 58 H LYS 22 H LYS 22 2.393 6.642 8.796 59 HA LYS 22 HA LYS 22 1.229 4.156 7.833 60 HB2 LYS 22 1HB LYS 22 0.105 3.679 9.939 61 HB3 LYS 22 2HB LYS 22 1.843 3.685 10.160 62 HG2 LYS 22 1HG LYS 22 0.144 6.062 10.833 63 HG3 LYS 22 2HG LYS 22 0.419 4.748 11.973 64 HD2 LYS 22 1HD LYS 22 2.821 5.146 11.866 65 HD3 LYS 22 2HD LYS 22 2.566 6.433 10.684 66 HE2 LYS 22 1HE LYS 22 2.900 7.354 12.918 67 HE3 LYS 22 2HE LYS 22 1.275 7.695 12.330 68 HZ1 LYS 22 3HZ LYS 22 1.277 6.984 14.643 69 HZ2 LYS 22 1HZ LYS 22 1.996 5.515 14.214 70 HZ3 LYS 22 2HZ LYS 22 0.435 5.883 13.676 71 H VAL 23 H VAL 23 -0.110 5.001 6.380 72 HA VAL 23 HA VAL 23 -1.955 7.080 7.340 73 HB VAL 23 HB VAL 23 -2.069 8.013 5.066 74 HG11 VAL 23 1HG1 VAL 23 0.129 9.086 5.055 75 HG12 VAL 23 2HG1 VAL 23 0.726 7.862 6.175 76 HG13 VAL 23 3HG1 VAL 23 -0.534 8.987 6.686 77 HG21 VAL 23 3HG2 VAL 23 -1.453 6.038 3.786 78 HG22 VAL 23 1HG2 VAL 23 0.181 6.105 4.442 79 HG23 VAL 23 2HG2 VAL 23 -0.398 7.395 3.385 80 H THR 24 H THR 24 -4.102 6.936 6.681 81 HA THR 24 HA THR 24 -4.793 4.357 5.461 82 HB THR 24 HB THR 24 -5.430 4.312 7.796 83 HG1 THR 24 HG1 THR 24 -6.865 3.380 6.223 84 HG21 THR 24 3HG2 THR 24 -7.058 6.790 7.229 85 HG22 THR 24 1HG2 THR 24 -5.614 6.703 8.235 86 HG23 THR 24 2HG2 THR 24 -7.084 5.865 8.729 87 H LEU 25 H LEU 25 -5.458 4.650 3.491 88 HA LEU 25 HA LEU 25 -7.006 7.062 2.829 89 HB2 LEU 25 1HB LEU 25 -5.449 5.222 0.998 90 HB3 LEU 25 2HB LEU 25 -6.376 6.608 0.474 91 HG LEU 25 HG LEU 25 -4.176 7.347 0.425 92 HD11 LEU 25 1HD1 LEU 25 -5.637 8.920 1.579 93 HD12 LEU 25 2HD1 LEU 25 -3.978 9.018 2.170 94 HD13 LEU 25 3HD1 LEU 25 -5.206 8.188 3.125 95 HD21 LEU 25 3HD2 LEU 25 -3.751 6.071 3.119 96 HD22 LEU 25 1HD2 LEU 25 -2.552 6.993 2.212 97 HD23 LEU 25 2HD2 LEU 25 -3.159 5.467 1.570 98 H GLN 26 H GLN 26 -8.080 6.163 0.453 99 HA GLN 26 HA GLN 26 -9.656 3.833 1.162 100 HB2 GLN 26 1HB GLN 26 -10.673 6.511 0.264 101 HB3 GLN 26 2HB GLN 26 -11.606 5.041 0.004 102 HG2 GLN 26 1HG GLN 26 -11.650 4.606 2.369 103 HG3 GLN 26 2HG GLN 26 -10.622 5.998 2.668 104 HE21 GLN 26 2HE2 GLN 26 -13.248 5.401 3.708 105 HE22 GLN 26 1HE2 GLN 26 -14.278 6.710 3.230 106 H LYS 27 H LYS 27 -10.285 2.597 -0.475 107 HA LYS 27 HA LYS 27 -8.526 2.122 -2.523 108 HB2 LYS 27 1HB LYS 27 -11.484 1.551 -2.647 109 HB3 LYS 27 2HB LYS 27 -10.243 0.754 -3.574 110 HG2 LYS 27 1HG LYS 27 -10.577 0.603 -0.595 111 HG3 LYS 27 2HG LYS 27 -11.011 -0.648 -1.763 112 HD2 LYS 27 1HD LYS 27 -8.467 -0.226 -2.454 113 HD3 LYS 27 2HD LYS 27 -8.385 0.170 -0.745 114 HE2 LYS 27 1HE LYS 27 -9.518 -2.376 -1.851 115 HE3 LYS 27 2HE LYS 27 -7.879 -2.195 -1.228 116 HZ1 LYS 27 3HZ LYS 27 -9.127 -3.053 0.525 117 HZ2 LYS 27 1HZ LYS 27 -10.423 -1.994 0.256 118 HZ3 LYS 27 2HZ LYS 27 -8.970 -1.405 0.886 119 H ASP 28 H ASP 28 -8.480 2.482 -4.690 120 HA ASP 28 HA ASP 28 -9.637 4.952 -5.656 121 HB2 ASP 28 1HB ASP 28 -7.280 4.288 -6.154 122 HB3 ASP 28 2HB ASP 28 -7.886 2.915 -7.071 123 H ALA 29 H ALA 29 -10.414 4.661 -8.164 124 HA ALA 29 HA ALA 29 -12.843 3.263 -8.151 125 HB1 ALA 29 3HB ALA 29 -11.192 4.151 -10.514 126 HB2 ALA 29 1HB ALA 29 -12.388 5.124 -9.660 127 HB3 ALA 29 2HB ALA 29 -12.894 3.696 -10.560 128 H GLN 30 H GLN 30 -9.648 2.199 -8.649 129 HA GLN 30 HA GLN 30 -10.345 -0.219 -10.066 130 HB2 GLN 30 1HB GLN 30 -8.084 1.446 -9.576 131 HB3 GLN 30 2HB GLN 30 -7.693 -0.220 -9.284 132 HG2 GLN 30 1HG GLN 30 -8.588 -0.731 -11.570 133 HG3 GLN 30 2HG GLN 30 -8.690 1.012 -11.825 134 HE21 GLN 30 2HE2 GLN 30 -6.567 -1.689 -11.330 135 HE22 GLN 30 1HE2 GLN 30 -5.116 -0.912 -11.858 136 H ASN 31 H ASN 31 -10.809 0.683 -7.111 137 HA ASN 31 HA ASN 31 -11.020 -0.171 -5.069 138 HB2 ASN 31 1HB ASN 31 -11.838 -2.314 -4.850 139 HB3 ASN 31 2HB ASN 31 -12.261 -1.875 -6.478 140 HD21 ASN 31 2HD2 ASN 31 -10.334 -3.933 -4.493 141 HD22 ASN 31 1HD2 ASN 31 -9.864 -5.028 -5.739 142 H LEU 32 H LEU 32 -8.328 0.231 -6.138 143 HA LEU 32 HA LEU 32 -6.892 -1.317 -4.090 144 HB2 LEU 32 1HB LEU 32 -4.901 -1.171 -5.732 145 HB3 LEU 32 2HB LEU 32 -6.143 -2.351 -6.032 146 HG LEU 32 HG LEU 32 -7.187 -0.752 -7.654 147 HD11 LEU 32 1HD1 LEU 32 -5.772 0.999 -8.601 148 HD12 LEU 32 2HD1 LEU 32 -4.563 0.693 -7.353 149 HD13 LEU 32 3HD1 LEU 32 -6.153 1.311 -6.907 150 HD21 LEU 32 3HD2 LEU 32 -5.622 -1.288 -9.443 151 HD22 LEU 32 1HD2 LEU 32 -5.878 -2.665 -8.371 152 HD23 LEU 32 2HD2 LEU 32 -4.399 -1.710 -8.243 153 H ILE 33 H ILE 33 -4.365 -0.114 -4.403 154 HA ILE 33 HA ILE 33 -5.010 2.546 -3.391 155 HB ILE 33 HB ILE 33 -2.327 2.057 -2.891 156 HG12 ILE 33 1HG1 ILE 33 -3.931 -0.441 -2.241 157 HG13 ILE 33 2HG1 ILE 33 -2.701 -0.346 -3.497 158 HG21 ILE 33 1HG2 ILE 33 -4.863 2.029 -1.318 159 HG22 ILE 33 2HG2 ILE 33 -3.546 3.207 -1.314 160 HG23 ILE 33 3HG2 ILE 33 -3.331 1.645 -0.525 161 HD11 ILE 33 3HD1 ILE 33 -1.594 -1.292 -1.697 162 HD12 ILE 33 1HD1 ILE 33 -2.384 -0.244 -0.520 163 HD13 ILE 33 2HD1 ILE 33 -1.144 0.406 -1.588 164 H GLY 34 H GLY 34 -3.224 0.883 -5.887 165 HA2 GLY 34 1HA GLY 34 -2.686 1.981 -7.939 166 HA3 GLY 34 2HA GLY 34 -2.591 3.506 -7.077 167 H ILE 35 H ILE 35 -1.034 0.560 -5.959 168 HA ILE 35 HA ILE 35 1.579 1.785 -6.613 169 HB ILE 35 HB ILE 35 2.469 0.706 -4.535 170 HG12 ILE 35 1HG1 ILE 35 0.508 0.450 -2.772 171 HG13 ILE 35 2HG1 ILE 35 -0.415 0.037 -4.210 172 HG21 ILE 35 1HG2 ILE 35 0.380 2.847 -4.272 173 HG22 ILE 35 2HG2 ILE 35 2.118 3.045 -4.512 174 HG23 ILE 35 3HG2 ILE 35 1.506 2.408 -2.987 175 HD11 ILE 35 3HD1 ILE 35 0.977 -1.815 -4.677 176 HD12 ILE 35 1HD1 ILE 35 0.544 -1.887 -2.969 177 HD13 ILE 35 2HD1 ILE 35 2.145 -1.318 -3.446 178 H SER 36 H SER 36 3.372 0.026 -6.188 179 HA SER 36 HA SER 36 2.490 -2.593 -7.119 180 HB2 SER 36 1HB SER 36 4.616 -0.898 -8.408 181 HB3 SER 36 2HB SER 36 4.490 -2.640 -8.667 182 HG SER 36 HG SER 36 2.161 -2.044 -9.114 183 H ILE 37 H ILE 37 3.395 -4.231 -6.118 184 HA ILE 37 HA ILE 37 5.398 -3.558 -4.093 185 HB ILE 37 HB ILE 37 3.557 -5.940 -4.292 186 HG12 ILE 37 1HG1 ILE 37 3.681 -3.597 -2.382 187 HG13 ILE 37 2HG1 ILE 37 2.470 -3.846 -3.634 188 HG21 ILE 37 1HG2 ILE 37 5.704 -6.602 -3.306 189 HG22 ILE 37 2HG2 ILE 37 4.392 -6.647 -2.129 190 HG23 ILE 37 3HG2 ILE 37 5.541 -5.311 -2.117 191 HD11 ILE 37 3HD1 ILE 37 1.609 -4.402 -1.434 192 HD12 ILE 37 1HD1 ILE 37 2.895 -5.589 -1.218 193 HD13 ILE 37 2HD1 ILE 37 1.674 -5.831 -2.466 194 H GLY 38 H GLY 38 7.310 -4.511 -3.880 195 HA2 GLY 38 1HA GLY 38 8.173 -6.835 -5.254 196 HA3 GLY 38 2HA GLY 38 8.697 -5.399 -6.121 197 H GLY 39 H GLY 39 10.794 -6.623 -5.468 198 HA2 GLY 39 1HA GLY 39 11.642 -5.675 -2.800 199 HA3 GLY 39 2HA GLY 39 12.338 -7.062 -3.624 200 H GLY 40 H GLY 40 12.632 -3.717 -3.041 201 HA2 GLY 40 1HA GLY 40 14.663 -2.598 -3.493 202 HA3 GLY 40 2HA GLY 40 14.920 -3.664 -4.869 203 H ALA 41 H ALA 41 13.829 -0.662 -3.826 204 HA ALA 41 HA ALA 41 11.870 -0.019 -5.735 205 HB1 ALA 41 3HB ALA 41 12.305 1.351 -3.760 206 HB2 ALA 41 1HB ALA 41 12.369 2.315 -5.234 207 HB3 ALA 41 2HB ALA 41 13.860 1.829 -4.433 208 H GLN 42 H GLN 42 15.216 1.234 -5.836 209 HA GLN 42 HA GLN 42 15.126 1.110 -8.748 210 HB2 GLN 42 1HB GLN 42 16.016 3.146 -7.615 211 HB3 GLN 42 2HB GLN 42 17.313 2.167 -6.944 212 HG2 GLN 42 1HG GLN 42 18.036 1.627 -9.244 213 HG3 GLN 42 2HG GLN 42 16.802 2.727 -9.854 214 HE21 GLN 42 2HE2 GLN 42 17.027 4.945 -9.487 215 HE22 GLN 42 1HE2 GLN 42 18.556 5.644 -9.085 216 H TYR 43 H TYR 43 17.762 0.421 -6.470 217 HA TYR 43 HA TYR 43 18.079 -2.211 -7.736 218 HB2 TYR 43 1HB TYR 43 20.073 -0.695 -7.739 219 HB3 TYR 43 2HB TYR 43 20.048 -0.723 -5.981 220 HD1 TYR 43 HD1 TYR 43 20.408 -2.893 -8.967 221 HD2 TYR 43 HD2 TYR 43 21.134 -2.447 -4.799 222 HE1 TYR 43 HE1 TYR 43 21.812 -4.908 -9.000 223 HE2 TYR 43 HE2 TYR 43 22.542 -4.463 -4.823 224 HH TYR 43 HH TYR 43 23.654 -5.889 -7.690 225 H CYS 44 H CYS 44 18.507 -0.683 -4.551 226 HA CYS 44 HA CYS 44 16.522 -2.259 -3.312 227 HB2 CYS 44 1HB CYS 44 18.255 -4.014 -3.561 228 HB3 CYS 44 2HB CYS 44 19.355 -3.016 -2.623 229 HG CYS 44 HG CYS 44 17.838 -3.136 -0.277 230 HA PRO 45 HA PRO 45 17.928 1.386 -0.793 231 HB2 PRO 45 1HB PRO 45 15.697 2.947 -1.628 232 HB3 PRO 45 2HB PRO 45 17.399 3.244 -1.985 233 HG2 PRO 45 1HG PRO 45 15.452 2.547 -3.839 234 HG3 PRO 45 2HG PRO 45 17.192 2.421 -4.088 235 HD2 PRO 45 1HD PRO 45 15.227 0.301 -3.397 236 HD3 PRO 45 2HD PRO 45 16.698 0.201 -4.386 237 H CYS 46 H CYS 46 14.604 0.734 -1.733 238 HA CYS 46 HA CYS 46 13.954 -0.280 0.909 239 HB2 CYS 46 1HB CYS 46 12.423 1.911 -0.523 240 HB3 CYS 46 2HB CYS 46 11.830 1.047 0.886 241 HG CYS 46 HG CYS 46 14.602 2.011 1.974 242 H LEU 47 H LEU 47 11.601 -1.288 0.697 243 HA LEU 47 HA LEU 47 11.169 -2.156 -2.056 244 HB2 LEU 47 1HB LEU 47 10.767 -4.516 -0.988 245 HB3 LEU 47 2HB LEU 47 12.358 -3.998 -1.496 246 HG LEU 47 HG LEU 47 11.582 -3.507 1.329 247 HD11 LEU 47 1HD1 LEU 47 12.417 -6.175 0.222 248 HD12 LEU 47 2HD1 LEU 47 10.844 -5.786 0.920 249 HD13 LEU 47 3HD1 LEU 47 12.289 -5.762 1.931 250 HD21 LEU 47 3HD2 LEU 47 14.141 -4.394 -0.012 251 HD22 LEU 47 1HD2 LEU 47 13.953 -3.948 1.685 252 HD23 LEU 47 2HD2 LEU 47 13.740 -2.733 0.424 253 H TYR 48 H TYR 48 9.311 -4.033 -1.697 254 HA TYR 48 HA TYR 48 7.139 -4.272 -1.750 255 HB2 TYR 48 1HB TYR 48 7.492 -2.958 0.847 256 HB3 TYR 48 2HB TYR 48 5.848 -2.955 0.189 257 HD1 TYR 48 HD1 TYR 48 8.726 -5.312 0.305 258 HD2 TYR 48 HD2 TYR 48 4.546 -4.761 0.828 259 HE1 TYR 48 HE1 TYR 48 8.494 -7.690 0.809 260 HE2 TYR 48 HE2 TYR 48 4.293 -7.151 1.353 261 HH TYR 48 HH TYR 48 7.027 -9.220 1.869 262 H ILE 49 H ILE 49 7.938 -0.756 -1.498 263 HA ILE 49 HA ILE 49 5.915 -0.629 -3.625 264 HB ILE 49 HB ILE 49 5.745 0.881 -1.465 265 HG12 ILE 49 1HG1 ILE 49 4.372 0.728 -3.678 266 HG13 ILE 49 2HG1 ILE 49 4.167 2.120 -2.627 267 HG21 ILE 49 1HG2 ILE 49 7.443 2.558 -3.296 268 HG22 ILE 49 2HG2 ILE 49 7.884 1.989 -1.685 269 HG23 ILE 49 3HG2 ILE 49 6.570 3.150 -1.882 270 HD11 ILE 49 3HD1 ILE 49 4.296 2.817 -4.930 271 HD12 ILE 49 1HD1 ILE 49 5.838 1.984 -5.126 272 HD13 ILE 49 2HD1 ILE 49 5.723 3.384 -4.060 273 H VAL 50 H VAL 50 6.647 -0.639 -5.567 274 HA VAL 50 HA VAL 50 9.412 0.228 -6.070 275 HB VAL 50 HB VAL 50 7.649 -1.549 -7.769 276 HG11 VAL 50 1HG1 VAL 50 9.343 -0.371 -9.071 277 HG12 VAL 50 2HG1 VAL 50 9.707 -2.094 -8.969 278 HG13 VAL 50 3HG1 VAL 50 10.597 -0.943 -7.971 279 HG21 VAL 50 3HG2 VAL 50 9.902 -2.273 -5.899 280 HG22 VAL 50 1HG2 VAL 50 9.063 -3.387 -6.978 281 HG23 VAL 50 2HG2 VAL 50 8.190 -2.619 -5.653 282 H GLN 51 H GLN 51 6.093 0.803 -6.975 283 HA GLN 51 HA GLN 51 6.817 3.204 -8.362 284 HB2 GLN 51 1HB GLN 51 6.354 2.658 -10.523 285 HB3 GLN 51 2HB GLN 51 6.799 1.042 -9.996 286 HG2 GLN 51 1HG GLN 51 4.389 0.615 -9.533 287 HG3 GLN 51 2HG GLN 51 4.029 2.170 -10.264 288 HE21 GLN 51 2HE2 GLN 51 3.272 -0.559 -11.013 289 HE22 GLN 51 1HE2 GLN 51 3.772 -0.734 -12.658 290 H VAL 52 H VAL 52 5.002 4.537 -8.711 291 HA VAL 52 HA VAL 52 2.440 3.602 -7.690 292 HB VAL 52 HB VAL 52 3.773 4.688 -5.815 293 HG11 VAL 52 1HG1 VAL 52 3.300 7.114 -7.520 294 HG12 VAL 52 2HG1 VAL 52 4.834 6.501 -6.897 295 HG13 VAL 52 3HG1 VAL 52 3.643 7.200 -5.791 296 HG21 VAL 52 3HG2 VAL 52 1.834 5.943 -4.966 297 HG22 VAL 52 1HG2 VAL 52 1.391 4.377 -5.645 298 HG23 VAL 52 2HG2 VAL 52 1.102 5.845 -6.569 299 H PHE 53 H PHE 53 0.691 5.117 -8.222 300 HA PHE 53 HA PHE 53 1.328 6.720 -10.574 301 HB2 PHE 53 1HB PHE 53 -1.190 5.162 -9.962 302 HB3 PHE 53 2HB PHE 53 -1.005 6.256 -11.327 303 HD1 PHE 53 HD1 PHE 53 -0.048 3.014 -9.917 304 HD2 PHE 53 HD2 PHE 53 0.361 5.664 -13.223 305 HE1 PHE 53 HE1 PHE 53 0.919 1.187 -11.259 306 HE2 PHE 53 HE2 PHE 53 1.324 3.844 -14.567 307 HZ PHE 53 HZ PHE 53 1.603 1.604 -13.585 308 H ASP 54 H ASP 54 0.782 8.713 -10.538 309 HA ASP 54 HA ASP 54 0.844 10.046 -8.132 310 HB2 ASP 54 1HB ASP 54 1.722 10.988 -10.180 311 HB3 ASP 54 2HB ASP 54 0.105 11.099 -10.862 312 H ASN 55 H ASN 55 -2.017 9.067 -9.803 313 HA ASN 55 HA ASN 55 -3.614 11.103 -8.458 314 HB2 ASN 55 1HB ASN 55 -3.957 9.621 -11.007 315 HB3 ASN 55 2HB ASN 55 -5.412 10.062 -10.124 316 HD21 ASN 55 2HD2 ASN 55 -2.451 11.923 -10.148 317 HD22 ASN 55 1HD2 ASN 55 -3.082 13.247 -11.050 318 H THR 56 H THR 56 -2.538 8.205 -7.809 319 HA THR 56 HA THR 56 -5.074 6.926 -7.104 320 HB THR 56 HB THR 56 -3.780 4.965 -6.596 321 HG1 THR 56 HG1 THR 56 -1.361 6.350 -7.122 322 HG21 THR 56 3HG2 THR 56 -2.552 6.303 -9.004 323 HG22 THR 56 1HG2 THR 56 -4.093 5.440 -8.991 324 HG23 THR 56 2HG2 THR 56 -2.592 4.569 -8.682 325 HA PRO 57 HA PRO 57 -5.256 8.498 -3.028 326 HB2 PRO 57 1HB PRO 57 -5.429 6.088 -1.571 327 HB3 PRO 57 2HB PRO 57 -6.780 7.031 -2.195 328 HG2 PRO 57 1HG PRO 57 -5.452 4.632 -3.360 329 HG3 PRO 57 2HG PRO 57 -7.162 5.092 -3.386 330 HD2 PRO 57 1HD PRO 57 -5.645 5.380 -5.554 331 HD3 PRO 57 2HD PRO 57 -6.848 6.617 -5.124 332 H ALA 58 H ALA 58 -3.250 5.644 -3.449 333 HA ALA 58 HA ALA 58 -1.518 5.926 -1.283 334 HB1 ALA 58 3HB ALA 58 -0.923 4.766 -3.998 335 HB2 ALA 58 1HB ALA 58 -1.675 3.915 -2.651 336 HB3 ALA 58 2HB ALA 58 -0.010 4.474 -2.518 337 H ALA 59 H ALA 59 -0.967 7.033 -4.677 338 HA ALA 59 HA ALA 59 1.432 8.453 -3.913 339 HB1 ALA 59 3HB ALA 59 -0.248 8.515 -6.417 340 HB2 ALA 59 1HB ALA 59 1.284 7.674 -6.161 341 HB3 ALA 59 2HB ALA 59 1.248 9.435 -6.205 342 H LEU 60 H LEU 60 -1.774 9.365 -4.970 343 HA LEU 60 HA LEU 60 -1.818 12.053 -4.976 344 HB2 LEU 60 1HB LEU 60 -3.573 10.202 -5.355 345 HB3 LEU 60 2HB LEU 60 -3.974 10.424 -3.667 346 HG LEU 60 HG LEU 60 -5.531 11.566 -5.153 347 HD11 LEU 60 1HD1 LEU 60 -5.526 13.747 -4.077 348 HD12 LEU 60 2HD1 LEU 60 -3.874 13.476 -3.522 349 HD13 LEU 60 3HD1 LEU 60 -5.183 12.460 -2.921 350 HD21 LEU 60 3HD2 LEU 60 -3.266 13.387 -5.910 351 HD22 LEU 60 1HD2 LEU 60 -4.906 13.372 -6.552 352 HD23 LEU 60 2HD2 LEU 60 -3.805 12.041 -6.907 353 H ASP 61 H ASP 61 -3.182 10.430 -2.120 354 HA ASP 61 HA ASP 61 -2.365 12.731 -0.510 355 HB2 ASP 61 1HB ASP 61 -4.750 12.021 -0.486 356 HB3 ASP 61 2HB ASP 61 -4.253 10.488 0.225 357 H GLY 62 H GLY 62 -2.042 9.248 -0.701 358 HA2 GLY 62 1HA GLY 62 -1.399 8.758 1.985 359 HA3 GLY 62 2HA GLY 62 -1.033 7.687 0.649 360 H THR 63 H THR 63 0.690 9.819 -0.562 361 HA THR 63 HA THR 63 2.893 10.155 -0.755 362 HB THR 63 HB THR 63 3.341 10.372 2.164 363 HG1 THR 63 HG1 THR 63 1.089 11.304 1.209 364 HG21 THR 63 3HG2 THR 63 4.481 12.387 1.388 365 HG22 THR 63 1HG2 THR 63 3.819 12.125 -0.227 366 HG23 THR 63 2HG2 THR 63 4.970 10.976 0.445 367 H VAL 64 H VAL 64 2.303 7.598 -0.888 368 HA VAL 64 HA VAL 64 4.591 6.302 0.413 369 HB VAL 64 HB VAL 64 3.327 4.119 0.203 370 HG11 VAL 64 1HG1 VAL 64 2.460 4.416 2.368 371 HG12 VAL 64 2HG1 VAL 64 2.126 6.126 2.071 372 HG13 VAL 64 3HG1 VAL 64 3.793 5.568 2.208 373 HG21 VAL 64 3HG2 VAL 64 0.885 4.254 0.220 374 HG22 VAL 64 1HG2 VAL 64 1.527 4.918 -1.282 375 HG23 VAL 64 2HG2 VAL 64 0.966 6.002 -0.010 376 H ALA 65 H ALA 65 5.195 7.491 -1.565 377 HA ALA 65 HA ALA 65 4.536 6.227 -4.089 378 HB1 ALA 65 3HB ALA 65 5.763 8.054 -5.116 379 HB2 ALA 65 1HB ALA 65 6.329 8.586 -3.532 380 HB3 ALA 65 2HB ALA 65 4.612 8.669 -3.929 381 H ALA 66 H ALA 66 6.504 6.122 -5.661 382 HA ALA 66 HA ALA 66 7.831 3.792 -5.051 383 HB1 ALA 66 3HB ALA 66 8.791 5.866 -7.008 384 HB2 ALA 66 1HB ALA 66 7.470 4.742 -7.316 385 HB3 ALA 66 2HB ALA 66 9.102 4.131 -7.049 386 H GLY 67 H GLY 67 9.449 3.313 -3.744 387 HA2 GLY 67 1HA GLY 67 11.840 3.721 -3.301 388 HA3 GLY 67 2HA GLY 67 11.427 5.422 -3.157 389 H ASP 68 H ASP 68 8.886 3.966 -1.762 390 HA ASP 68 HA ASP 68 10.076 4.199 0.906 391 HB2 ASP 68 1HB ASP 68 7.217 4.259 -0.069 392 HB3 ASP 68 2HB ASP 68 7.632 4.137 1.628 393 H GLU 69 H GLU 69 8.997 2.622 2.566 394 HA GLU 69 HA GLU 69 8.630 0.012 1.265 395 HB2 GLU 69 1HB GLU 69 10.944 0.295 2.254 396 HB3 GLU 69 2HB GLU 69 10.174 0.345 3.830 397 HG2 GLU 69 1HG GLU 69 9.369 -1.873 3.602 398 HG3 GLU 69 2HG GLU 69 9.819 -1.929 1.899 399 H ILE 70 H ILE 70 7.221 -1.372 2.191 400 HA ILE 70 HA ILE 70 5.632 -0.336 4.446 401 HB ILE 70 HB ILE 70 4.806 -2.195 2.206 402 HG12 ILE 70 1HG1 ILE 70 3.102 -0.267 1.882 403 HG13 ILE 70 2HG1 ILE 70 4.230 0.692 2.822 404 HG21 ILE 70 1HG2 ILE 70 3.726 -2.848 4.279 405 HG22 ILE 70 2HG2 ILE 70 2.559 -2.111 3.182 406 HG23 ILE 70 3HG2 ILE 70 3.192 -1.189 4.545 407 HD11 ILE 70 3HD1 ILE 70 5.964 0.252 1.151 408 HD12 ILE 70 1HD1 ILE 70 4.552 1.047 0.454 409 HD13 ILE 70 2HD1 ILE 70 4.802 -0.682 0.207 410 H THR 71 H THR 71 5.579 -1.531 6.291 411 HA THR 71 HA THR 71 6.824 -4.189 6.185 412 HB THR 71 HB THR 71 8.150 -2.712 7.568 413 HG1 THR 71 HG1 THR 71 6.712 -4.797 8.765 414 HG21 THR 71 3HG2 THR 71 6.980 -1.997 9.821 415 HG22 THR 71 1HG2 THR 71 5.533 -2.010 8.814 416 HG23 THR 71 2HG2 THR 71 6.904 -0.963 8.389 417 H GLY 72 H GLY 72 3.892 -2.685 6.456 418 HA2 GLY 72 1HA GLY 72 2.666 -5.165 7.282 419 HA3 GLY 72 2HA GLY 72 2.409 -3.831 8.393 420 H VAL 73 H VAL 73 0.769 -5.471 6.343 421 HA VAL 73 HA VAL 73 -0.383 -3.269 4.819 422 HB VAL 73 HB VAL 73 -0.066 -4.915 3.236 423 HG11 VAL 73 1HG1 VAL 73 0.950 -6.489 4.944 424 HG12 VAL 73 2HG1 VAL 73 0.069 -7.267 3.631 425 HG13 VAL 73 3HG1 VAL 73 -0.678 -7.107 5.219 426 HG21 VAL 73 3HG2 VAL 73 -2.615 -5.711 4.599 427 HG22 VAL 73 1HG2 VAL 73 -2.134 -6.285 2.999 428 HG23 VAL 73 2HG2 VAL 73 -2.432 -4.565 3.266 429 H ASN 74 H ASN 74 -2.163 -2.379 5.691 430 HA ASN 74 HA ASN 74 -4.119 -2.123 6.817 431 HB2 ASN 74 1HB ASN 74 -4.402 -4.952 5.816 432 HB3 ASN 74 2HB ASN 74 -5.702 -4.112 6.640 433 HD21 ASN 74 2HD2 ASN 74 -5.704 -5.111 3.962 434 HD22 ASN 74 1HD2 ASN 74 -5.943 -3.756 2.921 435 H GLY 75 H GLY 75 -1.787 -3.038 8.337 436 HA2 GLY 75 1HA GLY 75 -1.763 -2.981 10.720 437 HA3 GLY 75 2HA GLY 75 -3.276 -3.866 10.723 438 H ARG 76 H ARG 76 -2.007 -5.772 8.614 439 HA ARG 76 HA ARG 76 -0.657 -7.397 10.609 440 HB2 ARG 76 1HB ARG 76 -1.100 -9.189 8.905 441 HB3 ARG 76 2HB ARG 76 -2.507 -8.531 9.695 442 HG2 ARG 76 1HG ARG 76 -2.822 -7.084 7.705 443 HG3 ARG 76 2HG ARG 76 -1.509 -7.961 6.922 444 HD2 ARG 76 1HD ARG 76 -4.071 -9.173 7.951 445 HD3 ARG 76 2HD ARG 76 -3.705 -8.824 6.264 446 HE ARG 76 HE ARG 76 -1.681 -10.470 7.282 447 HH11 ARG 76 1HH1 ARG 76 -5.090 -10.602 6.494 448 HH12 ARG 76 2HH1 ARG 76 -5.071 -12.302 6.140 449 HH21 ARG 76 1HH2 ARG 76 -1.655 -12.707 6.828 450 HH22 ARG 76 2HH2 ARG 76 -3.119 -13.500 6.338 451 H SER 77 H SER 77 1.393 -8.145 10.318 452 HA SER 77 HA SER 77 3.117 -6.620 8.684 453 HB2 SER 77 1HB SER 77 3.674 -9.211 10.149 454 HB3 SER 77 2HB SER 77 4.888 -8.089 9.537 455 HG SER 77 HG SER 77 3.054 -7.741 11.660 456 H ILE 78 H ILE 78 4.460 -7.305 6.957 457 HA ILE 78 HA ILE 78 3.155 -9.241 5.199 458 HB ILE 78 HB ILE 78 4.223 -8.259 3.359 459 HG12 ILE 78 1HG1 ILE 78 6.533 -8.357 4.269 460 HG13 ILE 78 2HG1 ILE 78 6.204 -6.826 3.479 461 HG21 ILE 78 1HG2 ILE 78 3.710 -6.092 5.393 462 HG22 ILE 78 2HG2 ILE 78 2.614 -6.720 4.162 463 HG23 ILE 78 3HG2 ILE 78 4.023 -5.777 3.688 464 HD11 ILE 78 3HD1 ILE 78 6.331 -7.342 6.434 465 HD12 ILE 78 1HD1 ILE 78 5.855 -5.810 5.702 466 HD13 ILE 78 2HD1 ILE 78 7.484 -6.436 5.452 467 H LYS 79 H LYS 79 5.339 -9.290 7.530 468 HA LYS 79 HA LYS 79 7.366 -10.933 6.350 469 HB2 LYS 79 1HB LYS 79 7.813 -9.475 8.286 470 HB3 LYS 79 2HB LYS 79 6.672 -10.401 9.247 471 HG2 LYS 79 1HG LYS 79 8.905 -11.067 9.817 472 HG3 LYS 79 2HG LYS 79 8.126 -12.394 8.953 473 HD2 LYS 79 1HD LYS 79 9.272 -11.773 6.908 474 HD3 LYS 79 2HD LYS 79 9.992 -10.375 7.708 475 HE2 LYS 79 1HE LYS 79 11.618 -12.145 7.584 476 HE3 LYS 79 2HE LYS 79 11.146 -11.907 9.264 477 HZ1 LYS 79 3HZ LYS 79 11.290 -14.255 8.637 478 HZ2 LYS 79 1HZ LYS 79 10.071 -14.030 7.487 479 HZ3 LYS 79 2HZ LYS 79 9.731 -13.834 9.132 480 H GLY 80 H GLY 80 5.965 -12.545 5.349 481 HA2 GLY 80 1HA GLY 80 5.859 -14.948 6.564 482 HA3 GLY 80 2HA GLY 80 4.374 -14.200 7.109 483 H LYS 81 H LYS 81 4.005 -12.811 4.392 484 HA LYS 81 HA LYS 81 2.950 -15.289 3.162 485 HB2 LYS 81 1HB LYS 81 0.992 -14.147 2.530 486 HB3 LYS 81 2HB LYS 81 1.310 -13.666 4.184 487 HG2 LYS 81 1HG LYS 81 1.749 -12.042 1.694 488 HG3 LYS 81 2HG LYS 81 0.548 -11.773 2.949 489 HD2 LYS 81 1HD LYS 81 2.084 -10.234 3.568 490 HD3 LYS 81 2HD LYS 81 2.711 -11.605 4.463 491 HE2 LYS 81 1HE LYS 81 4.565 -10.575 3.401 492 HE3 LYS 81 2HE LYS 81 4.230 -12.050 2.509 493 HZ1 LYS 81 3HZ LYS 81 3.337 -9.350 1.676 494 HZ2 LYS 81 1HZ LYS 81 3.200 -10.781 0.785 495 HZ3 LYS 81 2HZ LYS 81 4.727 -10.117 1.094 496 H THR 82 H THR 82 1.973 -13.494 0.900 497 HA THR 82 HA THR 82 4.507 -13.123 -0.527 498 HB THR 82 HB THR 82 2.204 -14.325 -2.007 499 HG1 THR 82 HG1 THR 82 2.417 -15.733 -0.251 500 HG21 THR 82 3HG2 THR 82 5.202 -14.635 -2.228 501 HG22 THR 82 1HG2 THR 82 4.200 -13.576 -3.220 502 HG23 THR 82 2HG2 THR 82 4.009 -15.325 -3.328 503 H LYS 83 H LYS 83 4.402 -11.527 -2.173 504 HA LYS 83 HA LYS 83 2.885 -9.309 -1.992 505 HB2 LYS 83 1HB LYS 83 3.252 -9.695 -4.769 506 HB3 LYS 83 2HB LYS 83 4.230 -8.737 -3.669 507 HG2 LYS 83 1HG LYS 83 5.654 -10.606 -3.212 508 HG3 LYS 83 2HG LYS 83 4.610 -11.682 -4.138 509 HD2 LYS 83 1HD LYS 83 6.622 -11.036 -5.381 510 HD3 LYS 83 2HD LYS 83 5.145 -10.484 -6.173 511 HE2 LYS 83 1HE LYS 83 5.480 -8.255 -5.404 512 HE3 LYS 83 2HE LYS 83 6.804 -8.757 -4.353 513 HZ1 LYS 83 3HZ LYS 83 6.909 -9.146 -7.271 514 HZ2 LYS 83 1HZ LYS 83 8.184 -9.143 -6.161 515 HZ3 LYS 83 2HZ LYS 83 7.401 -7.695 -6.557 516 H VAL 84 H VAL 84 2.152 -11.962 -4.275 517 HA VAL 84 HA VAL 84 -0.163 -11.024 -5.350 518 HB VAL 84 HB VAL 84 0.923 -12.961 -6.226 519 HG11 VAL 84 1HG1 VAL 84 0.953 -15.109 -5.062 520 HG12 VAL 84 2HG1 VAL 84 0.196 -14.359 -3.658 521 HG13 VAL 84 3HG1 VAL 84 1.815 -13.870 -4.151 522 HG21 VAL 84 3HG2 VAL 84 -0.961 -14.517 -6.424 523 HG22 VAL 84 1HG2 VAL 84 -1.427 -12.833 -6.649 524 HG23 VAL 84 2HG2 VAL 84 -1.773 -13.644 -5.125 525 H GLU 85 H GLU 85 0.304 -12.488 -2.210 526 HA GLU 85 HA GLU 85 -2.504 -12.808 -1.702 527 HB2 GLU 85 1HB GLU 85 -0.197 -12.971 0.236 528 HB3 GLU 85 2HB GLU 85 -1.823 -13.596 0.477 529 HG2 GLU 85 1HG GLU 85 -1.462 -15.140 -1.413 530 HG3 GLU 85 2HG GLU 85 0.195 -14.561 -1.528 531 H VAL 86 H VAL 86 0.047 -10.518 -0.789 532 HA VAL 86 HA VAL 86 -1.595 -9.169 1.104 533 HB VAL 86 HB VAL 86 0.102 -7.372 1.073 534 HG11 VAL 86 1HG1 VAL 86 1.691 -8.602 2.258 535 HG12 VAL 86 2HG1 VAL 86 1.492 -10.015 1.215 536 HG13 VAL 86 3HG1 VAL 86 0.226 -9.582 2.385 537 HG21 VAL 86 3HG2 VAL 86 1.389 -9.096 -1.000 538 HG22 VAL 86 1HG2 VAL 86 2.277 -7.909 -0.032 539 HG23 VAL 86 2HG2 VAL 86 0.977 -7.380 -1.121 540 H ALA 87 H ALA 87 -0.758 -8.516 -2.251 541 HA ALA 87 HA ALA 87 -2.276 -6.246 -2.740 542 HB1 ALA 87 3HB ALA 87 -2.571 -7.056 -5.008 543 HB2 ALA 87 1HB ALA 87 -2.075 -8.673 -4.513 544 HB3 ALA 87 2HB ALA 87 -0.921 -7.343 -4.454 545 H LYS 88 H LYS 88 -3.332 -9.631 -2.553 546 HA LYS 88 HA LYS 88 -6.070 -9.128 -3.019 547 HB2 LYS 88 1HB LYS 88 -5.185 -11.383 -3.168 548 HB3 LYS 88 2HB LYS 88 -4.781 -11.364 -1.459 549 HG2 LYS 88 1HG LYS 88 -7.035 -11.359 -0.833 550 HG3 LYS 88 2HG LYS 88 -7.578 -10.985 -2.465 551 HD2 LYS 88 1HD LYS 88 -6.644 -13.169 -3.192 552 HD3 LYS 88 2HD LYS 88 -6.334 -13.552 -1.497 553 HE2 LYS 88 1HE LYS 88 -9.036 -12.903 -2.675 554 HE3 LYS 88 2HE LYS 88 -8.447 -14.527 -2.326 555 HZ1 LYS 88 3HZ LYS 88 -9.918 -13.562 -0.598 556 HZ2 LYS 88 1HZ LYS 88 -8.734 -12.404 -0.264 557 HZ3 LYS 88 2HZ LYS 88 -8.411 -14.047 -0.015 558 H MET 89 H MET 89 -4.216 -9.534 -0.036 559 HA MET 89 HA MET 89 -6.172 -9.175 1.861 560 HB2 MET 89 1HB MET 89 -3.319 -8.244 1.903 561 HB3 MET 89 2HB MET 89 -4.346 -8.300 3.323 562 HG2 MET 89 1HG MET 89 -4.515 -10.672 3.182 563 HG3 MET 89 2HG MET 89 -3.702 -10.693 1.622 564 HE1 MET 89 3HE MET 89 -2.881 -12.594 3.957 565 HE2 MET 89 1HE MET 89 -1.123 -12.461 3.939 566 HE3 MET 89 2HE MET 89 -2.016 -12.546 2.422 567 H ILE 90 H ILE 90 -4.338 -6.724 0.130 568 HA ILE 90 HA ILE 90 -5.448 -4.484 1.418 569 HB ILE 90 HB ILE 90 -4.125 -4.811 -1.270 570 HG12 ILE 90 1HG1 ILE 90 -3.184 -3.354 1.200 571 HG13 ILE 90 2HG1 ILE 90 -2.886 -5.069 0.947 572 HG21 ILE 90 1HG2 ILE 90 -4.983 -2.213 0.019 573 HG22 ILE 90 2HG2 ILE 90 -5.714 -2.930 -1.417 574 HG23 ILE 90 3HG2 ILE 90 -4.038 -2.381 -1.462 575 HD11 ILE 90 3HD1 ILE 90 -1.584 -4.601 -1.009 576 HD12 ILE 90 1HD1 ILE 90 -0.986 -3.632 0.336 577 HD13 ILE 90 2HD1 ILE 90 -1.987 -2.889 -0.909 578 H GLN 91 H GLN 91 -6.302 -5.946 -1.765 579 HA GLN 91 HA GLN 91 -8.453 -4.092 -2.087 580 HB2 GLN 91 1HB GLN 91 -8.954 -5.319 -4.097 581 HB3 GLN 91 2HB GLN 91 -7.234 -5.040 -3.988 582 HG2 GLN 91 1HG GLN 91 -7.015 -7.355 -3.109 583 HG3 GLN 91 2HG GLN 91 -8.715 -7.601 -3.482 584 HE21 GLN 91 2HE2 GLN 91 -5.528 -7.132 -4.767 585 HE22 GLN 91 1HE2 GLN 91 -5.888 -7.610 -6.391 586 H GLU 92 H GLU 92 -8.140 -7.157 -0.598 587 HA GLU 92 HA GLU 92 -10.684 -8.259 -0.829 588 HB2 GLU 92 1HB GLU 92 -8.815 -9.522 -0.002 589 HB3 GLU 92 2HB GLU 92 -8.619 -8.434 1.361 590 HG2 GLU 92 1HG GLU 92 -10.716 -9.175 2.292 591 HG3 GLU 92 2HG GLU 92 -10.981 -10.218 0.901 592 H VAL 93 H VAL 93 -9.353 -6.331 1.813 593 HA VAL 93 HA VAL 93 -11.611 -6.215 3.414 594 HB VAL 93 HB VAL 93 -10.631 -4.344 4.552 595 HG11 VAL 93 1HG1 VAL 93 -9.561 -6.493 4.896 596 HG12 VAL 93 2HG1 VAL 93 -8.371 -5.194 4.973 597 HG13 VAL 93 3HG1 VAL 93 -8.487 -6.198 3.526 598 HG21 VAL 93 3HG2 VAL 93 -8.779 -4.036 2.189 599 HG22 VAL 93 1HG2 VAL 93 -8.693 -3.119 3.694 600 HG23 VAL 93 2HG2 VAL 93 -10.087 -2.938 2.628 601 H LYS 94 H LYS 94 -10.846 -4.449 0.537 602 HA LYS 94 HA LYS 94 -11.969 -2.992 -0.778 603 HB2 LYS 94 1HB LYS 94 -14.369 -3.976 0.768 604 HB3 LYS 94 2HB LYS 94 -14.424 -3.093 -0.750 605 HG2 LYS 94 1HG LYS 94 -13.290 -4.909 -1.883 606 HG3 LYS 94 2HG LYS 94 -13.138 -5.786 -0.360 607 HD2 LYS 94 1HD LYS 94 -15.630 -5.787 -0.206 608 HD3 LYS 94 2HD LYS 94 -15.677 -5.100 -1.831 609 HE2 LYS 94 1HE LYS 94 -15.979 -7.496 -1.952 610 HE3 LYS 94 2HE LYS 94 -14.429 -7.054 -2.664 611 HZ1 LYS 94 3HZ LYS 94 -14.120 -8.965 -1.293 612 HZ2 LYS 94 1HZ LYS 94 -14.888 -8.229 0.020 613 HZ3 LYS 94 2HZ LYS 94 -13.390 -7.657 -0.509 614 H GLY 95 H GLY 95 -12.590 -0.852 -0.902 615 HA2 GLY 95 1HA GLY 95 -13.704 1.076 -0.192 616 HA3 GLY 95 2HA GLY 95 -13.906 0.356 1.396 617 H GLU 96 H GLU 96 -11.344 -0.175 2.184 618 HA GLU 96 HA GLU 96 -10.148 2.489 2.210 619 HB2 GLU 96 1HB GLU 96 -9.899 2.428 4.583 620 HB3 GLU 96 2HB GLU 96 -11.584 2.058 4.233 621 HG2 GLU 96 1HG GLU 96 -11.212 -0.257 4.566 622 HG3 GLU 96 2HG GLU 96 -9.486 -0.030 4.697 623 H VAL 97 H VAL 97 -8.040 2.329 3.453 624 HA VAL 97 HA VAL 97 -6.587 -0.170 3.195 625 HB VAL 97 HB VAL 97 -4.816 0.619 1.796 626 HG11 VAL 97 1HG1 VAL 97 -6.970 -0.088 0.667 627 HG12 VAL 97 2HG1 VAL 97 -5.832 0.834 -0.306 628 HG13 VAL 97 3HG1 VAL 97 -7.256 1.630 0.369 629 HG21 VAL 97 3HG2 VAL 97 -4.750 2.881 0.841 630 HG22 VAL 97 1HG2 VAL 97 -4.657 2.896 2.601 631 HG23 VAL 97 2HG2 VAL 97 -6.168 3.311 1.794 632 H THR 98 H THR 98 -4.695 -0.195 4.504 633 HA THR 98 HA THR 98 -3.854 2.353 5.666 634 HB THR 98 HB THR 98 -4.203 -0.129 7.360 635 HG1 THR 98 HG1 THR 98 -6.206 0.940 6.685 636 HG21 THR 98 3HG2 THR 98 -2.402 1.422 8.035 637 HG22 THR 98 1HG2 THR 98 -3.711 1.353 9.214 638 HG23 THR 98 2HG2 THR 98 -3.584 2.726 8.116 639 H ILE 99 H ILE 99 -1.779 2.597 5.172 640 HA ILE 99 HA ILE 99 -0.092 0.218 4.866 641 HB ILE 99 HB ILE 99 1.615 2.103 4.129 642 HG12 ILE 99 1HG1 ILE 99 -0.193 3.894 4.607 643 HG13 ILE 99 2HG1 ILE 99 0.726 4.008 3.113 644 HG21 ILE 99 1HG2 ILE 99 0.959 0.229 2.765 645 HG22 ILE 99 2HG2 ILE 99 0.955 1.707 1.801 646 HG23 ILE 99 3HG2 ILE 99 -0.568 1.017 2.366 647 HD11 ILE 99 3HD1 ILE 99 -1.603 4.473 2.703 648 HD12 ILE 99 1HD1 ILE 99 -2.063 2.920 3.396 649 HD13 ILE 99 2HD1 ILE 99 -1.139 2.977 1.897 650 H HIS 100 H HIS 100 1.912 0.049 5.939 651 HA HIS 100 HA HIS 100 2.366 1.892 8.167 652 HB2 HIS 100 1HB HIS 100 1.411 -0.883 8.393 653 HB3 HIS 100 2HB HIS 100 2.819 -0.525 9.381 654 HD1 HIS 100 HD1 HIS 100 2.381 0.581 11.572 655 HD2 HIS 100 HD2 HIS 100 -0.852 0.872 8.981 656 HE1 HIS 100 HE1 HIS 100 0.519 1.585 12.927 657 HE2 HIS 100 HE2 HIS 100 -1.468 1.606 11.383 658 H TYR 101 H TYR 101 4.429 2.525 7.798 659 HA TYR 101 HA TYR 101 6.371 0.858 8.836 660 HB2 TYR 101 1HB TYR 101 6.316 -0.224 6.562 661 HB3 TYR 101 2HB TYR 101 6.933 1.277 5.900 662 HD1 TYR 101 HD2 TYR 101 8.296 0.696 9.148 663 HD2 TYR 101 HD1 TYR 101 8.713 -0.436 5.070 664 HE1 TYR 101 HE2 TYR 101 10.593 -0.054 9.598 665 HE2 TYR 101 HE1 TYR 101 11.011 -1.190 5.513 666 HH TYR 101 HH TYR 101 12.822 -0.712 7.157 667 H ASN 102 H ASN 102 7.787 2.634 6.292 668 HA ASN 102 HA ASN 102 8.282 4.956 7.884 669 HB2 ASN 102 1HB ASN 102 10.223 4.368 8.977 670 HB3 ASN 102 2HB ASN 102 9.452 2.771 8.894 671 HD21 ASN 102 2HD2 ASN 102 12.285 3.574 9.068 672 HD22 ASN 102 1HD2 ASN 102 13.065 2.806 7.726 673 H LYS 103 H LYS 103 10.486 5.990 6.952 674 HA LYS 103 HA LYS 103 10.131 5.868 4.045 675 HB2 LYS 103 1HB LYS 103 10.617 8.295 5.775 676 HB3 LYS 103 2HB LYS 103 10.408 8.300 4.024 677 HG2 LYS 103 1HG LYS 103 8.366 7.725 6.148 678 HG3 LYS 103 2HG LYS 103 8.337 8.953 4.884 679 HD2 LYS 103 1HD LYS 103 8.177 7.169 3.205 680 HD3 LYS 103 2HD LYS 103 8.135 5.976 4.493 681 HE2 LYS 103 1HE LYS 103 6.061 6.694 5.268 682 HE3 LYS 103 2HE LYS 103 6.169 8.212 4.398 683 HZ1 LYS 103 3HZ LYS 103 6.088 6.838 2.309 684 HZ2 LYS 103 1HZ LYS 103 4.656 6.881 3.220 685 HZ3 LYS 103 2HZ LYS 103 5.662 5.526 3.290 686 H LEU 104 H LEU 104 12.245 4.479 5.503 687 HA LEU 104 HA LEU 104 14.355 5.067 3.783 688 HB2 LEU 104 1HB LEU 104 16.056 5.956 5.332 689 HB3 LEU 104 2HB LEU 104 14.757 7.085 5.016 690 HG LEU 104 HG LEU 104 13.773 6.243 7.260 691 HD11 LEU 104 1HD1 LEU 104 15.437 5.472 8.870 692 HD12 LEU 104 2HD1 LEU 104 16.651 5.406 7.592 693 HD13 LEU 104 3HD1 LEU 104 15.255 4.328 7.541 694 HD21 LEU 104 3HD2 LEU 104 14.604 8.480 6.943 695 HD22 LEU 104 1HD2 LEU 104 16.270 7.924 7.120 696 HD23 LEU 104 2HD2 LEU 104 15.168 7.861 8.494 697 H GLN 105 H GLN 105 16.167 3.711 4.028 698 HA GLN 105 HA GLN 105 15.974 1.720 6.186 699 HB2 GLN 105 1HB GLN 105 16.760 1.305 3.302 700 HB3 GLN 105 2HB GLN 105 17.103 0.133 4.567 701 HG2 GLN 105 1HG GLN 105 14.345 1.110 3.864 702 HG3 GLN 105 2HG GLN 105 15.072 -0.365 3.231 703 HE21 GLN 105 2HE2 GLN 105 13.489 -1.660 4.130 704 HE22 GLN 105 1HE2 GLN 105 13.415 -1.977 5.829 705 H ALA 106 H ALA 106 17.412 4.325 5.501 706 HA ALA 106 HA ALA 106 19.183 5.341 6.426 707 HB1 ALA 106 3HB ALA 106 18.976 3.791 8.289 708 HB2 ALA 106 1HB ALA 106 20.661 4.195 7.961 709 HB3 ALA 106 2HB ALA 106 20.011 2.637 7.448 710 H ASP 107 H ASP 107 21.259 2.560 6.093 711 HA ASP 107 HA ASP 107 22.467 3.581 3.653 712 HB2 ASP 107 1HB ASP 107 23.316 5.149 5.327 713 HB3 ASP 107 2HB ASP 107 23.787 3.820 6.374 714 HA PRO 108 HA PRO 108 23.518 -0.570 2.666 715 HB2 PRO 108 1HB PRO 108 26.340 0.361 3.088 716 HB3 PRO 108 2HB PRO 108 25.698 -0.712 1.844 717 HG2 PRO 108 1HG PRO 108 26.098 1.909 1.385 718 HG3 PRO 108 2HG PRO 108 24.765 1.014 0.638 719 HD2 PRO 108 1HD PRO 108 24.660 3.116 2.659 720 HD3 PRO 108 2HD PRO 108 23.336 2.410 1.714 721 H LYS 109 H LYS 109 25.824 0.553 5.173 722 HA LYS 109 HA LYS 109 26.195 -1.904 6.447 723 HB2 LYS 109 1HB LYS 109 26.875 -0.548 8.423 724 HB3 LYS 109 2HB LYS 109 27.644 -0.033 6.929 725 HG2 LYS 109 1HG LYS 109 26.130 1.842 6.752 726 HG3 LYS 109 2HG LYS 109 25.225 1.284 8.164 727 HD2 LYS 109 1HD LYS 109 27.114 1.680 9.595 728 HD3 LYS 109 2HD LYS 109 28.145 2.049 8.212 729 HE2 LYS 109 1HE LYS 109 25.691 3.633 8.946 730 HE3 LYS 109 2HE LYS 109 27.319 4.045 9.483 731 HZ1 LYS 109 3HZ LYS 109 26.471 3.830 6.638 732 HZ2 LYS 109 1HZ LYS 109 27.994 4.313 7.205 733 HZ3 LYS 109 2HZ LYS 109 26.639 5.279 7.500 734 H GLN 110 H GLN 110 23.895 0.649 7.166 735 HA GLN 110 HA GLN 110 22.632 -0.795 9.298 736 HB2 GLN 110 1HB GLN 110 22.183 1.854 7.988 737 HB3 GLN 110 2HB GLN 110 21.122 1.236 9.227 738 HG2 GLN 110 1HG GLN 110 24.023 1.908 9.488 739 HG3 GLN 110 2HG GLN 110 22.660 2.741 10.219 740 HE21 GLN 110 2HE2 GLN 110 21.583 1.792 11.960 741 HE22 GLN 110 1HE2 GLN 110 22.299 0.518 12.886 742 H LEU 111 H LEU 111 22.380 -0.522 5.969 743 HA LEU 111 HA LEU 111 19.605 -0.760 5.565 744 HB2 LEU 111 1HB LEU 111 21.096 0.061 3.844 745 HB3 LEU 111 2HB LEU 111 22.000 -1.433 3.859 746 HG LEU 111 HG LEU 111 20.462 -1.015 1.877 747 HD11 LEU 111 1HD1 LEU 111 20.115 -3.565 3.432 748 HD12 LEU 111 2HD1 LEU 111 21.410 -3.194 2.294 749 HD13 LEU 111 3HD1 LEU 111 19.750 -3.348 1.721 750 HD21 LEU 111 3HD2 LEU 111 18.354 -1.714 3.909 751 HD22 LEU 111 1HD2 LEU 111 18.111 -1.624 2.164 752 HD23 LEU 111 2HD2 LEU 111 18.535 -0.173 3.071 753 H GLU 112 H GLU 112 22.250 -3.137 5.636 754 HA GLU 112 HA GLU 112 20.518 -5.373 5.274 755 HB2 GLU 112 1HB GLU 112 22.497 -6.698 6.012 756 HB3 GLU 112 2HB GLU 112 22.835 -5.587 4.690 757 HG2 GLU 112 1HG GLU 112 24.078 -4.181 6.006 758 HG3 GLU 112 2HG GLU 112 23.293 -4.716 7.494 759 H VAL 113 H VAL 113 21.532 -3.507 8.007 760 HA VAL 113 HA VAL 113 20.857 -5.366 10.052 761 HB VAL 113 HB VAL 113 21.018 -2.343 10.129 762 HG11 VAL 113 1HG1 VAL 113 21.180 -2.562 12.552 763 HG12 VAL 113 2HG1 VAL 113 20.934 -4.303 12.420 764 HG13 VAL 113 3HG1 VAL 113 19.643 -3.192 11.961 765 HG21 VAL 113 3HG2 VAL 113 23.005 -4.458 10.941 766 HG22 VAL 113 1HG2 VAL 113 23.205 -2.721 11.172 767 HG23 VAL 113 2HG2 VAL 113 23.128 -3.391 9.542 768 H LEU 114 H LEU 114 19.165 -2.669 8.519 769 HA LEU 114 HA LEU 114 16.721 -3.143 9.943 770 HB2 LEU 114 1HB LEU 114 17.598 -1.323 7.739 771 HB3 LEU 114 2HB LEU 114 15.886 -1.559 8.010 772 HG LEU 114 HG LEU 114 16.110 -0.705 10.296 773 HD11 LEU 114 1HD1 LEU 114 18.188 0.302 11.065 774 HD12 LEU 114 2HD1 LEU 114 19.003 -0.234 9.598 775 HD13 LEU 114 3HD1 LEU 114 18.402 -1.421 10.755 776 HD21 LEU 114 3HD2 LEU 114 16.640 1.624 9.728 777 HD22 LEU 114 1HD2 LEU 114 15.598 0.861 8.529 778 HD23 LEU 114 2HD2 LEU 114 17.315 1.081 8.193 779 H PHE 115 H PHE 115 18.259 -4.467 7.228 780 HA PHE 115 HA PHE 115 15.786 -5.329 5.932 781 HB2 PHE 115 1HB PHE 115 17.818 -4.505 4.668 782 HB3 PHE 115 2HB PHE 115 18.638 -5.968 5.186 783 HD1 PHE 115 HD1 PHE 115 15.515 -4.911 3.451 784 HD2 PHE 115 HD2 PHE 115 18.653 -7.766 3.771 785 HE1 PHE 115 HE1 PHE 115 14.652 -6.080 1.468 786 HE2 PHE 115 HE2 PHE 115 17.791 -8.939 1.790 787 HZ PHE 115 HZ PHE 115 15.791 -8.095 0.639 788 H GLN 116 H GLN 116 17.176 -6.303 8.598 789 HA GLN 116 HA GLN 116 17.661 -9.088 8.087 790 HB2 GLN 116 1HB GLN 116 18.646 -7.531 9.943 791 HB3 GLN 116 2HB GLN 116 17.182 -7.951 10.822 792 HG2 GLN 116 1HG GLN 116 18.891 -9.427 11.536 793 HG3 GLN 116 2HG GLN 116 17.783 -10.354 10.522 794 HE21 GLN 116 2HE2 GLN 116 20.964 -9.028 10.828 795 HE22 GLN 116 1HE2 GLN 116 21.657 -9.838 9.467 796 H GLY 117 H GLY 117 14.924 -7.565 7.789 797 HA2 GLY 117 1HA GLY 117 13.344 -9.814 8.826 798 HA3 GLY 117 2HA GLY 117 12.866 -8.179 9.279 799 HA PRO 118 HA PRO 118 10.957 -6.867 5.353 800 HB2 PRO 118 1HB PRO 118 13.804 -6.018 4.855 801 HB3 PRO 118 2HB PRO 118 12.317 -5.213 4.374 802 HG2 PRO 118 1HG PRO 118 13.626 -4.460 6.569 803 HG3 PRO 118 2HG PRO 118 11.854 -4.464 6.510 804 HD2 PRO 118 1HD PRO 118 13.658 -6.197 8.028 805 HD3 PRO 118 2HD PRO 118 11.908 -5.966 8.208 806 H GLN 119 H GLN 119 10.482 -8.675 4.181 807 HA GLN 119 HA GLN 119 12.667 -10.247 3.043 808 HB2 GLN 119 1HB GLN 119 10.872 -11.402 4.312 809 HB3 GLN 119 2HB GLN 119 9.705 -10.854 3.117 810 HG2 GLN 119 1HG GLN 119 10.336 -13.152 2.701 811 HG3 GLN 119 2HG GLN 119 10.884 -12.112 1.386 812 HE21 GLN 119 2HE2 GLN 119 12.468 -13.536 0.742 813 HE22 GLN 119 1HE2 GLN 119 13.909 -13.806 1.657 814 H PHE 120 H PHE 120 13.354 -9.407 1.175 815 HA PHE 120 HA PHE 120 11.673 -8.021 -0.642 816 HB2 PHE 120 1HB PHE 120 13.580 -7.897 -2.101 817 HB3 PHE 120 2HB PHE 120 14.134 -7.637 -0.456 818 HD1 PHE 120 HD1 PHE 120 14.865 -9.986 0.736 819 HD2 PHE 120 HD2 PHE 120 14.918 -9.148 -3.437 820 HE1 PHE 120 HE1 PHE 120 16.575 -11.720 0.413 821 HE2 PHE 120 HE2 PHE 120 16.626 -10.884 -3.763 822 HZ PHE 120 HZ PHE 120 17.456 -12.174 -1.839 823 H THR 121 H THR 121 10.249 -8.851 -1.974 824 HA THR 121 HA THR 121 10.399 -11.707 -2.580 825 HB THR 121 HB THR 121 8.017 -10.084 -3.323 826 HG1 THR 121 HG1 THR 121 8.953 -10.521 -0.695 827 HG21 THR 121 3HG2 THR 121 8.053 -12.472 -3.781 828 HG22 THR 121 1HG2 THR 121 6.862 -12.123 -2.532 829 HG23 THR 121 2HG2 THR 121 8.423 -12.814 -2.092 830 H LEU 122 H LEU 122 12.113 -11.274 -4.165 831 HA LEU 122 HA LEU 122 11.414 -9.801 -6.552 832 HB2 LEU 122 1HB LEU 122 13.766 -10.183 -5.405 833 HB3 LEU 122 2HB LEU 122 13.772 -11.637 -6.378 834 HG LEU 122 HG LEU 122 15.011 -9.805 -7.442 835 HD11 LEU 122 1HD1 LEU 122 13.958 -9.881 -9.644 836 HD12 LEU 122 2HD1 LEU 122 12.493 -10.542 -8.918 837 HD13 LEU 122 3HD1 LEU 122 13.992 -11.469 -8.878 838 HD21 LEU 122 3HD2 LEU 122 13.695 -7.950 -6.511 839 HD22 LEU 122 1HD2 LEU 122 12.363 -8.378 -7.584 840 HD23 LEU 122 2HD2 LEU 122 13.895 -7.828 -8.259 841 H ARG 123 H ARG 123 9.505 -11.042 -6.998 842 HA ARG 123 HA ARG 123 9.936 -13.047 -8.956 843 HB2 ARG 123 1HB ARG 123 8.599 -14.841 -7.839 844 HB3 ARG 123 2HB ARG 123 10.163 -14.556 -7.093 845 HG2 ARG 123 1HG ARG 123 9.073 -13.235 -5.338 846 HG3 ARG 123 2HG ARG 123 7.506 -13.561 -6.080 847 HD2 ARG 123 1HD ARG 123 7.781 -15.091 -4.275 848 HD3 ARG 123 2HD ARG 123 7.965 -15.998 -5.773 849 HE ARG 123 HE ARG 123 10.471 -15.088 -4.754 850 HH11 ARG 123 1HH1 ARG 123 8.041 -17.594 -4.447 851 HH12 ARG 123 2HH1 ARG 123 9.140 -18.746 -3.756 852 HH21 ARG 123 1HH2 ARG 123 11.911 -16.601 -3.837 853 HH22 ARG 123 2HH2 ARG 123 11.330 -18.174 -3.388 854 H HIS 124 H HIS 124 8.653 -12.151 -10.413 855 HA HIS 124 HA HIS 124 6.782 -11.479 -11.505 856 HB2 HIS 124 1HB HIS 124 5.411 -12.574 -9.053 857 HB3 HIS 124 2HB HIS 124 4.523 -11.841 -10.381 858 HD1 HIS 124 HD1 HIS 124 4.059 -13.278 -12.390 859 HD2 HIS 124 HD2 HIS 124 6.781 -15.006 -9.767 860 HE1 HIS 124 HE1 HIS 124 4.381 -15.633 -13.205 861 HE2 HIS 124 HE2 HIS 124 5.894 -16.705 -11.500 862 H TRP 125 H TRP 125 5.676 -9.579 -11.789 863 HA TRP 125 HA TRP 125 6.270 -7.507 -9.868 864 HB2 TRP 125 1HB TRP 125 5.174 -5.999 -11.564 865 HB3 TRP 125 2HB TRP 125 6.573 -6.884 -12.156 866 HD1 TRP 125 HD1 TRP 125 6.160 -8.715 -14.045 867 HE1 TRP 125 HE1 TRP 125 4.179 -9.157 -15.628 868 HE3 TRP 125 HE3 TRP 125 2.594 -5.911 -11.689 869 HZ2 TRP 125 HZ2 TRP 125 1.467 -8.416 -15.846 870 HZ3 TRP 125 HZ3 TRP 125 0.334 -5.835 -12.651 871 HH2 TRP 125 HH2 TRP 125 -0.215 -7.059 -14.686 872 H LEU 126 H LEU 126 4.852 -6.459 -8.572 873 HA LEU 126 HA LEU 126 2.145 -7.617 -8.426 874 HB2 LEU 126 1HB LEU 126 3.862 -7.821 -6.502 875 HB3 LEU 126 2HB LEU 126 3.552 -6.152 -6.221 876 HG LEU 126 HG LEU 126 2.381 -7.919 -4.815 877 HD11 LEU 126 1HD1 LEU 126 1.972 -5.439 -5.141 878 HD12 LEU 126 2HD1 LEU 126 0.782 -6.420 -4.294 879 HD13 LEU 126 3HD1 LEU 126 0.516 -5.959 -5.977 880 HD21 LEU 126 3HD2 LEU 126 0.574 -7.963 -7.222 881 HD22 LEU 126 1HD2 LEU 126 0.272 -8.746 -5.673 882 HD23 LEU 126 2HD2 LEU 126 1.594 -9.303 -6.700 883 H LYS 127 H LYS 127 0.469 -6.109 -7.688 884 HA LYS 127 HA LYS 127 0.922 -3.345 -7.610 885 HB2 LYS 127 1HB LYS 127 -0.245 -2.633 -9.586 886 HB3 LYS 127 2HB LYS 127 1.135 -3.611 -10.038 887 HG2 LYS 127 1HG LYS 127 -0.320 -5.496 -10.490 888 HG3 LYS 127 2HG LYS 127 -1.721 -4.567 -9.951 889 HD2 LYS 127 1HD LYS 127 0.051 -3.878 -12.295 890 HD3 LYS 127 2HD LYS 127 -1.549 -4.611 -12.400 891 HE2 LYS 127 1HE LYS 127 -2.525 -2.624 -11.355 892 HE3 LYS 127 2HE LYS 127 -0.924 -1.898 -11.236 893 HZ1 LYS 127 3HZ LYS 127 -0.765 -1.854 -13.615 894 HZ2 LYS 127 1HZ LYS 127 -2.201 -1.091 -13.151 895 HZ3 LYS 127 2HZ LYS 127 -2.239 -2.658 -13.780 896 H VAL 128 H VAL 128 -0.477 -2.608 -6.240 897 HA VAL 128 HA VAL 128 -3.290 -3.337 -6.655 898 HB VAL 128 HB VAL 128 -3.098 -2.111 -4.128 899 HG11 VAL 128 1HG1 VAL 128 -4.845 -3.618 -4.870 900 HG12 VAL 128 2HG1 VAL 128 -4.161 -4.119 -3.326 901 HG13 VAL 128 3HG1 VAL 128 -3.714 -4.970 -4.805 902 HG21 VAL 128 3HG2 VAL 128 -1.822 -3.756 -2.837 903 HG22 VAL 128 1HG2 VAL 128 -0.821 -2.773 -3.901 904 HG23 VAL 128 2HG2 VAL 128 -1.207 -4.436 -4.348 Start of MODEL 6 1 H1 GLY 13 1H GLY 13 11.811 2.182 23.384 2 H2 GLY 13 2H GLY 13 12.552 3.655 23.755 3 H3 GLY 13 3H GLY 13 13.498 2.311 23.360 4 HA2 GLY 13 1HA GLY 13 11.660 3.765 21.546 5 HA3 GLY 13 2HA GLY 13 13.416 3.807 21.495 6 H SER 14 H SER 14 13.201 3.112 19.290 7 HA SER 14 HA SER 14 13.217 1.609 17.595 8 HB2 SER 14 1HB SER 14 13.714 -0.393 19.813 9 HB3 SER 14 2HB SER 14 14.032 -0.650 18.098 10 HG SER 14 HG SER 14 15.314 1.496 18.545 11 HA PRO 15 HA PRO 15 8.884 0.235 18.515 12 HB2 PRO 15 1HB PRO 15 7.553 1.926 16.931 13 HB3 PRO 15 2HB PRO 15 8.153 2.433 18.513 14 HG2 PRO 15 1HG PRO 15 9.269 2.975 15.799 15 HG3 PRO 15 2HG PRO 15 9.178 4.045 17.207 16 HD2 PRO 15 1HD PRO 15 11.426 2.615 16.421 17 HD3 PRO 15 2HD PRO 15 11.154 3.285 18.039 18 H GLY 16 H GLY 16 10.515 -1.283 16.994 19 HA2 GLY 16 1HA GLY 16 10.334 -2.892 15.344 20 HA3 GLY 16 2HA GLY 16 8.805 -2.174 14.862 21 H ILE 17 H ILE 17 9.162 0.140 13.922 22 HA ILE 17 HA ILE 17 11.298 -0.067 11.908 23 HB ILE 17 HB ILE 17 9.851 1.502 10.560 24 HG12 ILE 17 1HG1 ILE 17 7.861 0.796 12.728 25 HG13 ILE 17 2HG1 ILE 17 8.449 2.401 12.316 26 HG21 ILE 17 1HG2 ILE 17 8.354 -0.272 9.784 27 HG22 ILE 17 2HG2 ILE 17 8.692 -1.198 11.247 28 HG23 ILE 17 3HG2 ILE 17 9.981 -0.884 10.084 29 HD11 ILE 17 3HD1 ILE 17 6.735 0.644 10.582 30 HD12 ILE 17 1HD1 ILE 17 7.334 2.245 10.147 31 HD13 ILE 17 2HD1 ILE 17 6.203 2.060 11.487 32 HA PRO 18 HA PRO 18 13.213 3.395 13.649 33 HB2 PRO 18 1HB PRO 18 14.307 4.700 11.533 34 HB3 PRO 18 2HB PRO 18 14.897 3.139 12.120 35 HG2 PRO 18 1HG PRO 18 13.167 3.739 9.776 36 HG3 PRO 18 2HG PRO 18 14.464 2.552 9.959 37 HD2 PRO 18 1HD PRO 18 11.796 1.944 10.110 38 HD3 PRO 18 2HD PRO 18 13.071 0.992 10.883 39 H VAL 19 H VAL 19 11.892 4.797 10.630 40 HA VAL 19 HA VAL 19 10.600 6.855 12.221 41 HB VAL 19 HB VAL 19 10.248 7.729 9.739 42 HG11 VAL 19 1HG1 VAL 19 12.829 7.988 11.272 43 HG12 VAL 19 2HG1 VAL 19 11.370 8.936 11.551 44 HG13 VAL 19 3HG1 VAL 19 12.251 9.100 10.033 45 HG21 VAL 19 3HG2 VAL 19 12.246 7.273 8.391 46 HG22 VAL 19 1HG2 VAL 19 11.283 5.822 8.673 47 HG23 VAL 19 2HG2 VAL 19 12.759 6.092 9.597 48 HA PRO 20 HA PRO 20 7.141 4.040 11.274 49 HB2 PRO 20 1HB PRO 20 5.514 4.978 13.241 50 HB3 PRO 20 2HB PRO 20 6.788 3.791 13.522 51 HG2 PRO 20 1HG PRO 20 6.818 6.740 13.997 52 HG3 PRO 20 2HG PRO 20 7.424 5.431 15.030 53 HD2 PRO 20 1HD PRO 20 9.052 6.905 13.474 54 HD3 PRO 20 2HD PRO 20 9.364 5.193 13.806 55 H GLY 21 H GLY 21 5.458 4.351 9.945 56 HA2 GLY 21 1HA GLY 21 4.107 6.927 9.865 57 HA3 GLY 21 2HA GLY 21 4.972 6.460 8.408 58 H LYS 22 H LYS 22 2.079 6.863 9.005 59 HA LYS 22 HA LYS 22 1.120 4.554 7.571 60 HB2 LYS 22 1HB LYS 22 -0.640 3.994 9.215 61 HB3 LYS 22 2HB LYS 22 0.970 3.708 9.859 62 HG2 LYS 22 1HG LYS 22 0.872 5.714 11.168 63 HG3 LYS 22 2HG LYS 22 -0.651 6.183 10.416 64 HD2 LYS 22 1HD LYS 22 -1.082 5.281 12.610 65 HD3 LYS 22 2HD LYS 22 -1.707 4.172 11.390 66 HE2 LYS 22 1HE LYS 22 0.192 2.723 11.661 67 HE3 LYS 22 2HE LYS 22 0.963 3.877 12.747 68 HZ1 LYS 22 3HZ LYS 22 -0.092 2.052 13.942 69 HZ2 LYS 22 1HZ LYS 22 -1.592 2.473 13.291 70 HZ3 LYS 22 2HZ LYS 22 -0.797 3.533 14.337 71 H VAL 23 H VAL 23 -0.405 5.254 6.143 72 HA VAL 23 HA VAL 23 -2.031 7.551 7.015 73 HB VAL 23 HB VAL 23 -2.150 8.474 4.783 74 HG11 VAL 23 1HG1 VAL 23 0.699 7.998 5.623 75 HG12 VAL 23 2HG1 VAL 23 -0.368 9.274 6.210 76 HG13 VAL 23 3HG1 VAL 23 0.152 9.264 4.524 77 HG21 VAL 23 3HG2 VAL 23 -0.260 6.279 3.942 78 HG22 VAL 23 1HG2 VAL 23 -0.721 7.665 2.945 79 HG23 VAL 23 2HG2 VAL 23 -1.937 6.479 3.434 80 H THR 24 H THR 24 -4.193 7.552 6.366 81 HA THR 24 HA THR 24 -5.099 4.904 5.479 82 HB THR 24 HB THR 24 -5.858 5.220 7.700 83 HG1 THR 24 HG1 THR 24 -7.452 4.473 6.128 84 HG21 THR 24 3HG2 THR 24 -6.894 7.921 6.836 85 HG22 THR 24 1HG2 THR 24 -5.555 7.610 7.940 86 HG23 THR 24 2HG2 THR 24 -7.199 7.173 8.403 87 H LEU 25 H LEU 25 -5.814 4.836 3.534 88 HA LEU 25 HA LEU 25 -7.218 7.150 2.366 89 HB2 LEU 25 1HB LEU 25 -5.637 5.108 0.818 90 HB3 LEU 25 2HB LEU 25 -6.192 6.682 0.282 91 HG LEU 25 HG LEU 25 -4.173 6.442 2.485 92 HD11 LEU 25 1HD1 LEU 25 -2.408 6.598 0.840 93 HD12 LEU 25 2HD1 LEU 25 -3.589 6.543 -0.468 94 HD13 LEU 25 3HD1 LEU 25 -3.359 5.139 0.575 95 HD21 LEU 25 3HD2 LEU 25 -4.721 8.578 0.426 96 HD22 LEU 25 1HD2 LEU 25 -3.559 8.670 1.749 97 HD23 LEU 25 2HD2 LEU 25 -5.286 8.602 2.096 98 H GLN 26 H GLN 26 -8.184 5.943 0.093 99 HA GLN 26 HA GLN 26 -9.286 3.384 0.868 100 HB2 GLN 26 1HB GLN 26 -11.530 3.971 0.638 101 HB3 GLN 26 2HB GLN 26 -10.828 5.310 1.531 102 HG2 GLN 26 1HG GLN 26 -10.618 6.511 -0.652 103 HG3 GLN 26 2HG GLN 26 -11.589 5.229 -1.363 104 HE21 GLN 26 2HE2 GLN 26 -13.093 4.919 1.170 105 HE22 GLN 26 1HE2 GLN 26 -14.220 6.231 1.182 106 H LYS 27 H LYS 27 -9.690 2.024 -0.757 107 HA LYS 27 HA LYS 27 -8.434 1.753 -3.015 108 HB2 LYS 27 1HB LYS 27 -11.375 1.236 -2.814 109 HB3 LYS 27 2HB LYS 27 -10.221 0.387 -3.818 110 HG2 LYS 27 1HG LYS 27 -9.930 0.438 -0.846 111 HG3 LYS 27 2HG LYS 27 -10.975 -0.727 -1.655 112 HD2 LYS 27 1HD LYS 27 -9.046 -1.876 -1.554 113 HD3 LYS 27 2HD LYS 27 -8.869 -1.133 -3.118 114 HE2 LYS 27 1HE LYS 27 -6.839 -0.605 -2.357 115 HE3 LYS 27 2HE LYS 27 -7.695 0.691 -1.522 116 HZ1 LYS 27 3HZ LYS 27 -7.173 -1.988 -0.358 117 HZ2 LYS 27 1HZ LYS 27 -7.836 -0.649 0.440 118 HZ3 LYS 27 2HZ LYS 27 -6.218 -0.621 -0.064 119 H ASP 28 H ASP 28 -8.567 2.151 -5.118 120 HA ASP 28 HA ASP 28 -9.948 4.532 -6.053 121 HB2 ASP 28 1HB ASP 28 -7.586 4.147 -6.669 122 HB3 ASP 28 2HB ASP 28 -8.026 2.629 -7.433 123 H ALA 29 H ALA 29 -10.812 4.053 -8.540 124 HA ALA 29 HA ALA 29 -13.164 2.590 -8.252 125 HB1 ALA 29 3HB ALA 29 -13.442 2.840 -10.650 126 HB2 ALA 29 1HB ALA 29 -11.739 3.264 -10.821 127 HB3 ALA 29 2HB ALA 29 -12.830 4.335 -9.942 128 H GLN 30 H GLN 30 -9.973 1.528 -9.170 129 HA GLN 30 HA GLN 30 -10.893 -0.956 -10.305 130 HB2 GLN 30 1HB GLN 30 -8.571 0.693 -10.327 131 HB3 GLN 30 2HB GLN 30 -8.140 -0.950 -9.956 132 HG2 GLN 30 1HG GLN 30 -9.196 -1.719 -12.001 133 HG3 GLN 30 2HG GLN 30 -9.710 -0.068 -12.359 134 HE21 GLN 30 2HE2 GLN 30 -7.010 -2.249 -12.155 135 HE22 GLN 30 1HE2 GLN 30 -5.893 -1.273 -13.041 136 H ASN 31 H ASN 31 -10.680 0.168 -7.320 137 HA ASN 31 HA ASN 31 -10.791 -0.784 -5.265 138 HB2 ASN 31 1HB ASN 31 -11.966 -2.642 -6.425 139 HB3 ASN 31 2HB ASN 31 -10.419 -3.438 -6.646 140 HD21 ASN 31 2HD2 ASN 31 -10.823 -5.211 -5.440 141 HD22 ASN 31 1HD2 ASN 31 -11.050 -5.175 -3.730 142 H LEU 32 H LEU 32 -8.223 -0.035 -6.600 143 HA LEU 32 HA LEU 32 -6.571 -1.462 -4.628 144 HB2 LEU 32 1HB LEU 32 -4.729 -1.583 -6.025 145 HB3 LEU 32 2HB LEU 32 -6.070 -2.049 -7.071 146 HG LEU 32 HG LEU 32 -4.720 0.651 -7.022 147 HD11 LEU 32 1HD1 LEU 32 -3.285 -1.074 -7.964 148 HD12 LEU 32 2HD1 LEU 32 -3.858 0.016 -9.227 149 HD13 LEU 32 3HD1 LEU 32 -4.585 -1.580 -9.045 150 HD21 LEU 32 3HD2 LEU 32 -6.845 -0.404 -8.847 151 HD22 LEU 32 1HD2 LEU 32 -5.996 1.127 -9.032 152 HD23 LEU 32 2HD2 LEU 32 -7.039 0.859 -7.637 153 H ILE 33 H ILE 33 -4.270 -0.057 -4.727 154 HA ILE 33 HA ILE 33 -5.171 2.600 -3.853 155 HB ILE 33 HB ILE 33 -2.440 2.047 -3.167 156 HG12 ILE 33 1HG1 ILE 33 -4.438 0.025 -2.110 157 HG13 ILE 33 2HG1 ILE 33 -3.233 -0.343 -3.347 158 HG21 ILE 33 1HG2 ILE 33 -4.981 2.463 -1.619 159 HG22 ILE 33 2HG2 ILE 33 -3.778 3.678 -2.043 160 HG23 ILE 33 3HG2 ILE 33 -3.381 2.411 -0.881 161 HD11 ILE 33 3HD1 ILE 33 -1.455 0.151 -1.754 162 HD12 ILE 33 1HD1 ILE 33 -2.545 -1.075 -1.114 163 HD13 ILE 33 2HD1 ILE 33 -2.647 0.584 -0.530 164 H GLY 34 H GLY 34 -3.167 0.916 -6.120 165 HA2 GLY 34 1HA GLY 34 -2.448 1.897 -8.155 166 HA3 GLY 34 2HA GLY 34 -2.530 3.485 -7.393 167 H ILE 35 H ILE 35 -0.923 0.554 -6.194 168 HA ILE 35 HA ILE 35 1.666 1.947 -6.509 169 HB ILE 35 HB ILE 35 2.389 0.943 -4.352 170 HG12 ILE 35 1HG1 ILE 35 0.348 0.536 -2.750 171 HG13 ILE 35 2HG1 ILE 35 -0.506 0.156 -4.238 172 HG21 ILE 35 1HG2 ILE 35 0.156 2.940 -4.322 173 HG22 ILE 35 2HG2 ILE 35 1.890 3.253 -4.420 174 HG23 ILE 35 3HG2 ILE 35 1.194 2.601 -2.937 175 HD11 ILE 35 3HD1 ILE 35 0.367 -1.820 -3.084 176 HD12 ILE 35 1HD1 ILE 35 2.004 -1.209 -3.309 177 HD13 ILE 35 2HD1 ILE 35 1.021 -1.638 -4.713 178 H SER 36 H SER 36 3.477 0.442 -5.969 179 HA SER 36 HA SER 36 2.979 -2.353 -6.533 180 HB2 SER 36 1HB SER 36 4.768 -0.583 -8.187 181 HB3 SER 36 2HB SER 36 5.014 -2.331 -8.092 182 HG SER 36 HG SER 36 2.511 -2.123 -8.505 183 H ILE 37 H ILE 37 4.080 -3.588 -5.235 184 HA ILE 37 HA ILE 37 6.109 -2.294 -3.539 185 HB ILE 37 HB ILE 37 4.563 -4.826 -2.963 186 HG12 ILE 37 1HG1 ILE 37 4.205 -2.030 -1.859 187 HG13 ILE 37 2HG1 ILE 37 3.110 -2.841 -2.971 188 HG21 ILE 37 1HG2 ILE 37 6.397 -3.180 -1.222 189 HG22 ILE 37 2HG2 ILE 37 6.736 -4.782 -1.877 190 HG23 ILE 37 3HG2 ILE 37 5.452 -4.570 -0.688 191 HD11 ILE 37 3HD1 ILE 37 2.631 -4.523 -1.263 192 HD12 ILE 37 1HD1 ILE 37 2.249 -2.892 -0.709 193 HD13 ILE 37 2HD1 ILE 37 3.718 -3.692 -0.150 194 H GLY 38 H GLY 38 8.138 -2.784 -3.882 195 HA2 GLY 38 1HA GLY 38 8.763 -5.202 -5.424 196 HA3 GLY 38 2HA GLY 38 9.816 -3.807 -5.226 197 H GLY 39 H GLY 39 9.902 -6.840 -4.618 198 HA2 GLY 39 1HA GLY 39 10.820 -6.573 -1.832 199 HA3 GLY 39 2HA GLY 39 10.284 -8.079 -2.567 200 H GLY 40 H GLY 40 12.763 -7.756 -1.223 201 HA2 GLY 40 1HA GLY 40 14.870 -7.491 -3.109 202 HA3 GLY 40 2HA GLY 40 14.979 -8.285 -1.547 203 H ALA 41 H ALA 41 16.072 -10.105 -2.083 204 HA ALA 41 HA ALA 41 14.859 -12.222 -3.447 205 HB1 ALA 41 3HB ALA 41 15.176 -10.980 -5.474 206 HB2 ALA 41 1HB ALA 41 16.323 -12.317 -5.458 207 HB3 ALA 41 2HB ALA 41 16.868 -10.682 -5.085 208 H GLN 42 H GLN 42 18.246 -11.338 -3.916 209 HA GLN 42 HA GLN 42 18.979 -13.615 -2.236 210 HB2 GLN 42 1HB GLN 42 19.872 -13.387 -4.581 211 HB3 GLN 42 2HB GLN 42 20.775 -11.982 -4.034 212 HG2 GLN 42 1HG GLN 42 22.068 -13.311 -2.532 213 HG3 GLN 42 2HG GLN 42 21.064 -14.726 -2.839 214 HE21 GLN 42 2HE2 GLN 42 22.086 -12.518 -5.348 215 HE22 GLN 42 1HE2 GLN 42 23.156 -13.622 -6.142 216 H TYR 43 H TYR 43 18.852 -10.226 -2.180 217 HA TYR 43 HA TYR 43 20.798 -9.958 -0.041 218 HB2 TYR 43 1HB TYR 43 18.868 -7.954 -1.237 219 HB3 TYR 43 2HB TYR 43 20.049 -7.580 0.012 220 HD1 TYR 43 HD1 TYR 43 19.630 -8.555 -3.521 221 HD2 TYR 43 HD2 TYR 43 22.340 -7.213 -0.534 222 HE1 TYR 43 HE1 TYR 43 21.293 -8.071 -5.260 223 HE2 TYR 43 HE2 TYR 43 24.013 -6.724 -2.268 224 HH TYR 43 HH TYR 43 23.275 -6.582 -5.546 225 H CYS 44 H CYS 44 17.459 -8.793 -0.232 226 HA CYS 44 HA CYS 44 16.611 -10.433 1.969 227 HB2 CYS 44 1HB CYS 44 15.917 -8.452 3.359 228 HB3 CYS 44 2HB CYS 44 17.655 -8.709 3.268 229 HG CYS 44 HG CYS 44 15.856 -6.316 1.617 230 HA PRO 45 HA PRO 45 13.191 -9.925 -1.045 231 HB2 PRO 45 1HB PRO 45 12.275 -11.964 0.954 232 HB3 PRO 45 2HB PRO 45 12.053 -11.930 -0.803 233 HG2 PRO 45 1HG PRO 45 13.926 -13.472 0.177 234 HG3 PRO 45 2HG PRO 45 14.307 -12.448 -1.215 235 HD2 PRO 45 1HD PRO 45 15.006 -12.052 1.672 236 HD3 PRO 45 2HD PRO 45 16.005 -11.793 0.226 237 H CYS 46 H CYS 46 11.134 -9.040 -0.858 238 HA CYS 46 HA CYS 46 9.733 -7.405 -0.148 239 HB2 CYS 46 1HB CYS 46 10.549 -8.246 2.648 240 HB3 CYS 46 2HB CYS 46 9.220 -7.160 2.253 241 HG CYS 46 HG CYS 46 9.394 -10.526 1.983 242 H LEU 47 H LEU 47 10.214 -5.287 -0.409 243 HA LEU 47 HA LEU 47 12.277 -4.127 1.325 244 HB2 LEU 47 1HB LEU 47 12.070 -3.433 -1.601 245 HB3 LEU 47 2HB LEU 47 13.275 -2.885 -0.459 246 HG LEU 47 HG LEU 47 13.007 -5.760 -1.218 247 HD11 LEU 47 1HD1 LEU 47 14.757 -5.365 -2.881 248 HD12 LEU 47 2HD1 LEU 47 14.652 -3.633 -2.566 249 HD13 LEU 47 3HD1 LEU 47 13.273 -4.488 -3.258 250 HD21 LEU 47 3HD2 LEU 47 15.305 -4.117 -0.155 251 HD22 LEU 47 1HD2 LEU 47 15.356 -5.840 -0.531 252 HD23 LEU 47 2HD2 LEU 47 14.330 -5.252 0.778 253 H TYR 48 H TYR 48 10.759 -2.605 -1.424 254 HA TYR 48 HA TYR 48 9.187 -0.904 0.340 255 HB2 TYR 48 1HB TYR 48 10.267 1.148 -0.560 256 HB3 TYR 48 2HB TYR 48 11.358 0.161 0.401 257 HD1 TYR 48 HD1 TYR 48 10.565 1.346 -2.985 258 HD2 TYR 48 HD2 TYR 48 13.261 -0.922 -0.605 259 HE1 TYR 48 HE1 TYR 48 12.193 1.357 -4.828 260 HE2 TYR 48 HE2 TYR 48 14.894 -0.924 -2.440 261 HH TYR 48 HH TYR 48 14.686 1.125 -5.081 262 H ILE 49 H ILE 49 8.169 0.912 -1.032 263 HA ILE 49 HA ILE 49 6.755 -0.378 -3.176 264 HB ILE 49 HB ILE 49 5.582 1.061 -1.577 265 HG12 ILE 49 1HG1 ILE 49 4.983 0.890 -4.141 266 HG13 ILE 49 2HG1 ILE 49 4.090 1.950 -3.056 267 HG21 ILE 49 1HG2 ILE 49 7.159 3.326 -2.763 268 HG22 ILE 49 2HG2 ILE 49 7.353 2.665 -1.138 269 HG23 ILE 49 3HG2 ILE 49 5.852 3.476 -1.588 270 HD11 ILE 49 3HD1 ILE 49 5.606 3.809 -3.797 271 HD12 ILE 49 1HD1 ILE 49 4.531 3.166 -5.043 272 HD13 ILE 49 2HD1 ILE 49 6.231 2.705 -5.023 273 H VAL 50 H VAL 50 7.264 -0.304 -5.249 274 HA VAL 50 HA VAL 50 9.683 1.172 -5.950 275 HB VAL 50 HB VAL 50 9.602 -0.294 -8.029 276 HG11 VAL 50 1HG1 VAL 50 10.514 -2.239 -6.817 277 HG12 VAL 50 2HG1 VAL 50 9.875 -1.580 -5.311 278 HG13 VAL 50 3HG1 VAL 50 11.133 -0.713 -6.189 279 HG21 VAL 50 3HG2 VAL 50 8.300 -2.357 -7.860 280 HG22 VAL 50 1HG2 VAL 50 7.255 -0.937 -7.911 281 HG23 VAL 50 2HG2 VAL 50 7.546 -1.763 -6.381 282 H GLN 51 H GLN 51 6.307 1.332 -6.548 283 HA GLN 51 HA GLN 51 6.689 3.354 -8.548 284 HB2 GLN 51 1HB GLN 51 6.676 1.928 -10.284 285 HB3 GLN 51 2HB GLN 51 6.152 0.579 -9.284 286 HG2 GLN 51 1HG GLN 51 3.838 1.476 -9.420 287 HG3 GLN 51 2HG GLN 51 4.420 2.683 -10.565 288 HE21 GLN 51 2HE2 GLN 51 2.442 0.608 -10.930 289 HE22 GLN 51 1HE2 GLN 51 2.990 -0.359 -12.248 290 H VAL 52 H VAL 52 5.048 4.749 -8.546 291 HA VAL 52 HA VAL 52 2.433 3.886 -7.556 292 HB VAL 52 HB VAL 52 3.770 5.006 -5.695 293 HG11 VAL 52 1HG1 VAL 52 3.676 7.529 -5.765 294 HG12 VAL 52 2HG1 VAL 52 3.395 7.374 -7.500 295 HG13 VAL 52 3HG1 VAL 52 4.893 6.766 -6.793 296 HG21 VAL 52 3HG2 VAL 52 1.400 4.764 -5.510 297 HG22 VAL 52 1HG2 VAL 52 1.138 6.159 -6.551 298 HG23 VAL 52 2HG2 VAL 52 1.847 6.377 -4.951 299 H PHE 53 H PHE 53 0.740 5.432 -8.196 300 HA PHE 53 HA PHE 53 1.408 6.651 -10.758 301 HB2 PHE 53 1HB PHE 53 -1.225 5.930 -9.471 302 HB3 PHE 53 2HB PHE 53 -1.116 6.836 -10.977 303 HD1 PHE 53 HD1 PHE 53 -0.028 3.633 -9.414 304 HD2 PHE 53 HD2 PHE 53 -0.953 5.733 -12.999 305 HE1 PHE 53 HE1 PHE 53 0.186 1.538 -10.694 306 HE2 PHE 53 HE2 PHE 53 -0.750 3.644 -14.277 307 HZ PHE 53 HZ PHE 53 -0.181 1.544 -13.127 308 H ASP 54 H ASP 54 -1.149 8.434 -10.219 309 HA ASP 54 HA ASP 54 0.147 10.370 -8.425 310 HB2 ASP 54 1HB ASP 54 0.658 10.816 -10.862 311 HB3 ASP 54 2HB ASP 54 -1.056 11.132 -11.087 312 H ASN 55 H ASN 55 -2.767 9.353 -10.044 313 HA ASN 55 HA ASN 55 -4.382 11.166 -8.438 314 HB2 ASN 55 1HB ASN 55 -5.016 9.638 -10.969 315 HB3 ASN 55 2HB ASN 55 -6.210 10.555 -10.056 316 HD21 ASN 55 2HD2 ASN 55 -3.385 10.735 -12.068 317 HD22 ASN 55 1HD2 ASN 55 -3.494 12.427 -12.404 318 H THR 56 H THR 56 -3.155 8.209 -8.194 319 HA THR 56 HA THR 56 -5.527 6.804 -7.341 320 HB THR 56 HB THR 56 -3.991 4.998 -6.751 321 HG1 THR 56 HG1 THR 56 -1.857 5.296 -6.620 322 HG21 THR 56 3HG2 THR 56 -4.662 5.144 -9.073 323 HG22 THR 56 1HG2 THR 56 -2.993 4.587 -8.960 324 HG23 THR 56 2HG2 THR 56 -3.335 6.258 -9.403 325 HA PRO 57 HA PRO 57 -5.659 8.369 -3.261 326 HB2 PRO 57 1HB PRO 57 -5.684 5.939 -1.820 327 HB3 PRO 57 2HB PRO 57 -7.092 6.836 -2.382 328 HG2 PRO 57 1HG PRO 57 -5.748 4.479 -3.599 329 HG3 PRO 57 2HG PRO 57 -7.461 4.920 -3.597 330 HD2 PRO 57 1HD PRO 57 -5.943 5.227 -5.779 331 HD3 PRO 57 2HD PRO 57 -7.212 6.400 -5.365 332 H ALA 58 H ALA 58 -3.591 5.574 -3.711 333 HA ALA 58 HA ALA 58 -1.796 5.904 -1.612 334 HB1 ALA 58 3HB ALA 58 -0.296 4.522 -2.912 335 HB2 ALA 58 1HB ALA 58 -1.250 4.837 -4.362 336 HB3 ALA 58 2HB ALA 58 -1.948 3.918 -3.028 337 H ALA 59 H ALA 59 -1.616 7.145 -4.965 338 HA ALA 59 HA ALA 59 0.887 8.468 -4.461 339 HB1 ALA 59 3HB ALA 59 0.154 7.728 -6.697 340 HB2 ALA 59 1HB ALA 59 0.581 9.436 -6.640 341 HB3 ALA 59 2HB ALA 59 -1.114 8.949 -6.658 342 H LEU 60 H LEU 60 -2.392 9.596 -5.102 343 HA LEU 60 HA LEU 60 -1.947 12.280 -4.904 344 HB2 LEU 60 1HB LEU 60 -4.159 12.616 -4.878 345 HB3 LEU 60 2HB LEU 60 -3.929 11.153 -5.785 346 HG LEU 60 HG LEU 60 -4.606 10.183 -3.352 347 HD11 LEU 60 1HD1 LEU 60 -4.866 12.672 -2.768 348 HD12 LEU 60 2HD1 LEU 60 -6.175 11.568 -2.313 349 HD13 LEU 60 3HD1 LEU 60 -6.339 12.598 -3.741 350 HD21 LEU 60 3HD2 LEU 60 -5.534 9.610 -5.544 351 HD22 LEU 60 1HD2 LEU 60 -6.447 11.116 -5.542 352 HD23 LEU 60 2HD2 LEU 60 -6.805 9.868 -4.346 353 H ASP 61 H ASP 61 -3.722 10.786 -2.229 354 HA ASP 61 HA ASP 61 -2.708 12.911 -0.489 355 HB2 ASP 61 1HB ASP 61 -5.161 12.337 -0.541 356 HB3 ASP 61 2HB ASP 61 -4.758 10.758 0.117 357 H GLY 62 H GLY 62 -2.079 9.888 -1.496 358 HA2 GLY 62 1HA GLY 62 -1.723 8.446 0.939 359 HA3 GLY 62 2HA GLY 62 -1.095 7.968 -0.626 360 H THR 63 H THR 63 0.684 9.927 -1.153 361 HA THR 63 HA THR 63 2.844 10.532 -0.903 362 HB THR 63 HB THR 63 3.658 11.368 1.161 363 HG1 THR 63 HG1 THR 63 1.720 9.655 2.330 364 HG21 THR 63 3HG2 THR 63 1.732 12.725 1.964 365 HG22 THR 63 1HG2 THR 63 0.681 11.714 0.972 366 HG23 THR 63 2HG2 THR 63 1.919 12.712 0.208 367 H VAL 64 H VAL 64 1.799 7.708 -0.586 368 HA VAL 64 HA VAL 64 4.217 6.432 0.448 369 HB VAL 64 HB VAL 64 2.992 4.284 0.098 370 HG11 VAL 64 1HG1 VAL 64 1.546 6.276 1.803 371 HG12 VAL 64 2HG1 VAL 64 3.173 5.706 2.153 372 HG13 VAL 64 3HG1 VAL 64 1.824 4.559 2.132 373 HG21 VAL 64 3HG2 VAL 64 0.564 4.375 -0.194 374 HG22 VAL 64 1HG2 VAL 64 1.379 5.056 -1.601 375 HG23 VAL 64 2HG2 VAL 64 0.642 6.125 -0.406 376 H ALA 65 H ALA 65 4.965 7.739 -1.411 377 HA ALA 65 HA ALA 65 4.511 6.618 -4.048 378 HB1 ALA 65 3HB ALA 65 4.546 9.041 -3.773 379 HB2 ALA 65 1HB ALA 65 5.822 8.505 -4.865 380 HB3 ALA 65 2HB ALA 65 6.215 8.959 -3.207 381 H ALA 66 H ALA 66 6.478 6.442 -5.496 382 HA ALA 66 HA ALA 66 7.857 4.171 -4.825 383 HB1 ALA 66 3HB ALA 66 9.240 4.587 -6.763 384 HB2 ALA 66 1HB ALA 66 8.764 6.285 -6.771 385 HB3 ALA 66 2HB ALA 66 7.568 5.032 -7.110 386 H GLY 67 H GLY 67 9.444 3.737 -3.463 387 HA2 GLY 67 1HA GLY 67 11.811 4.222 -2.955 388 HA3 GLY 67 2HA GLY 67 11.344 5.909 -2.822 389 H ASP 68 H ASP 68 8.775 4.693 -1.440 390 HA ASP 68 HA ASP 68 9.975 4.867 1.215 391 HB2 ASP 68 1HB ASP 68 7.102 4.842 0.299 392 HB3 ASP 68 2HB ASP 68 7.586 4.887 1.982 393 H GLU 69 H GLU 69 9.691 3.268 2.815 394 HA GLU 69 HA GLU 69 9.665 0.620 1.610 395 HB2 GLU 69 1HB GLU 69 11.524 1.292 3.116 396 HB3 GLU 69 2HB GLU 69 10.373 1.398 4.441 397 HG2 GLU 69 1HG GLU 69 9.905 -0.948 4.299 398 HG3 GLU 69 2HG GLU 69 10.895 -1.098 2.849 399 H ILE 70 H ILE 70 8.055 -0.781 1.801 400 HA ILE 70 HA ILE 70 5.761 0.001 3.455 401 HB ILE 70 HB ILE 70 5.890 -2.263 1.462 402 HG12 ILE 70 1HG1 ILE 70 6.355 -0.127 0.325 403 HG13 ILE 70 2HG1 ILE 70 4.804 -0.805 -0.158 404 HG21 ILE 70 1HG2 ILE 70 3.431 -2.053 1.488 405 HG22 ILE 70 2HG2 ILE 70 3.575 -0.830 2.752 406 HG23 ILE 70 3HG2 ILE 70 4.101 -2.485 3.062 407 HD11 ILE 70 3HD1 ILE 70 4.549 1.541 0.115 408 HD12 ILE 70 1HD1 ILE 70 5.285 1.486 1.721 409 HD13 ILE 70 2HD1 ILE 70 3.712 0.740 1.447 410 H THR 71 H THR 71 5.482 -0.954 5.387 411 HA THR 71 HA THR 71 7.041 -3.399 5.867 412 HB THR 71 HB THR 71 7.826 -1.474 7.161 413 HG1 THR 71 HG1 THR 71 8.231 -3.262 8.297 414 HG21 THR 71 3HG2 THR 71 5.051 -1.488 8.340 415 HG22 THR 71 1HG2 THR 71 5.799 -0.199 7.398 416 HG23 THR 71 2HG2 THR 71 6.416 -0.591 9.003 417 H GLY 72 H GLY 72 3.832 -2.074 5.907 418 HA2 GLY 72 1HA GLY 72 2.790 -4.684 6.505 419 HA3 GLY 72 2HA GLY 72 2.528 -3.541 7.806 420 H VAL 73 H VAL 73 0.558 -4.910 6.309 421 HA VAL 73 HA VAL 73 -0.838 -2.671 5.036 422 HB VAL 73 HB VAL 73 -0.725 -4.118 3.237 423 HG11 VAL 73 1HG1 VAL 73 0.695 -5.771 4.447 424 HG12 VAL 73 2HG1 VAL 73 -0.483 -6.527 3.374 425 HG13 VAL 73 3HG1 VAL 73 -0.774 -6.486 5.111 426 HG21 VAL 73 3HG2 VAL 73 -2.707 -5.607 3.184 427 HG22 VAL 73 1HG2 VAL 73 -3.071 -3.971 3.744 428 HG23 VAL 73 2HG2 VAL 73 -2.917 -5.291 4.909 429 H ASN 74 H ASN 74 -2.585 -2.044 6.223 430 HA ASN 74 HA ASN 74 -4.405 -2.105 7.598 431 HB2 ASN 74 1HB ASN 74 -4.951 -3.896 5.814 432 HB3 ASN 74 2HB ASN 74 -4.586 -5.061 7.067 433 HD21 ASN 74 2HD2 ASN 74 -6.742 -2.567 6.056 434 HD22 ASN 74 1HD2 ASN 74 -8.021 -2.992 7.124 435 H GLY 75 H GLY 75 -1.668 -2.853 8.624 436 HA2 GLY 75 1HA GLY 75 -1.142 -2.874 10.946 437 HA3 GLY 75 2HA GLY 75 -2.602 -3.803 11.235 438 H ARG 76 H ARG 76 -1.753 -5.537 8.801 439 HA ARG 76 HA ARG 76 -0.008 -7.243 10.370 440 HB2 ARG 76 1HB ARG 76 -0.792 -8.936 8.673 441 HB3 ARG 76 2HB ARG 76 -1.987 -8.374 9.812 442 HG2 ARG 76 1HG ARG 76 -2.734 -6.782 8.029 443 HG3 ARG 76 2HG ARG 76 -1.667 -7.641 6.918 444 HD2 ARG 76 1HD ARG 76 -3.818 -8.579 6.640 445 HD3 ARG 76 2HD ARG 76 -2.882 -9.747 7.566 446 HE ARG 76 HE ARG 76 -4.597 -7.866 9.011 447 HH11 ARG 76 1HH1 ARG 76 -3.921 -11.149 7.994 448 HH12 ARG 76 2HH1 ARG 76 -5.128 -11.845 9.024 449 HH21 ARG 76 1HH2 ARG 76 -6.172 -8.781 10.369 450 HH22 ARG 76 2HH2 ARG 76 -6.409 -10.503 10.373 451 H SER 77 H SER 77 1.995 -7.705 9.726 452 HA SER 77 HA SER 77 3.272 -6.125 7.773 453 HB2 SER 77 1HB SER 77 4.227 -8.654 9.135 454 HB3 SER 77 2HB SER 77 5.248 -7.497 8.286 455 HG SER 77 HG SER 77 3.981 -6.013 9.941 456 H ILE 78 H ILE 78 4.359 -6.810 5.814 457 HA ILE 78 HA ILE 78 2.751 -8.797 4.390 458 HB ILE 78 HB ILE 78 3.662 -8.036 2.337 459 HG12 ILE 78 1HG1 ILE 78 5.988 -7.579 3.157 460 HG13 ILE 78 2HG1 ILE 78 5.350 -6.378 2.046 461 HG21 ILE 78 1HG2 ILE 78 1.817 -6.749 3.141 462 HG22 ILE 78 2HG2 ILE 78 2.946 -5.663 2.332 463 HG23 ILE 78 3HG2 ILE 78 2.887 -5.721 4.093 464 HD11 ILE 78 3HD1 ILE 78 4.836 -4.939 4.002 465 HD12 ILE 78 1HD1 ILE 78 6.553 -5.271 3.778 466 HD13 ILE 78 2HD1 ILE 78 5.647 -6.124 5.024 467 H LYS 79 H LYS 79 5.955 -8.200 5.549 468 HA LYS 79 HA LYS 79 7.283 -10.177 3.999 469 HB2 LYS 79 1HB LYS 79 8.420 -8.223 5.001 470 HB3 LYS 79 2HB LYS 79 8.099 -8.874 6.600 471 HG2 LYS 79 1HG LYS 79 9.500 -10.796 6.137 472 HG3 LYS 79 2HG LYS 79 9.771 -10.226 4.491 473 HD2 LYS 79 1HD LYS 79 11.673 -9.707 5.939 474 HD3 LYS 79 2HD LYS 79 10.894 -8.237 5.353 475 HE2 LYS 79 1HE LYS 79 11.498 -8.109 7.740 476 HE3 LYS 79 2HE LYS 79 9.766 -7.946 7.471 477 HZ1 LYS 79 3HZ LYS 79 10.258 -9.405 9.337 478 HZ2 LYS 79 1HZ LYS 79 11.146 -10.432 8.329 479 HZ3 LYS 79 2HZ LYS 79 9.480 -10.256 8.103 480 H GLY 80 H GLY 80 6.244 -12.091 4.180 481 HA2 GLY 80 1HA GLY 80 6.754 -13.972 6.024 482 HA3 GLY 80 2HA GLY 80 5.414 -13.099 6.754 483 H LYS 81 H LYS 81 4.382 -12.517 3.910 484 HA LYS 81 HA LYS 81 3.490 -15.263 3.341 485 HB2 LYS 81 1HB LYS 81 1.242 -14.429 2.747 486 HB3 LYS 81 2HB LYS 81 1.631 -14.228 4.443 487 HG2 LYS 81 1HG LYS 81 1.937 -11.993 2.470 488 HG3 LYS 81 2HG LYS 81 0.408 -12.334 3.275 489 HD2 LYS 81 1HD LYS 81 3.016 -11.703 4.646 490 HD3 LYS 81 2HD LYS 81 1.687 -10.584 4.407 491 HE2 LYS 81 1HE LYS 81 1.688 -13.099 6.069 492 HE3 LYS 81 2HE LYS 81 1.599 -11.441 6.655 493 HZ1 LYS 81 3HZ LYS 81 -0.557 -12.586 6.645 494 HZ2 LYS 81 1HZ LYS 81 -0.466 -12.737 4.967 495 HZ3 LYS 81 2HZ LYS 81 -0.559 -11.204 5.671 496 H THR 82 H THR 82 1.825 -13.356 1.252 497 HA THR 82 HA THR 82 3.932 -13.563 -0.774 498 HB THR 82 HB THR 82 1.214 -14.757 -1.275 499 HG1 THR 82 HG1 THR 82 1.877 -16.191 0.185 500 HG21 THR 82 3HG2 THR 82 2.382 -15.932 -3.070 501 HG22 THR 82 1HG2 THR 82 3.902 -15.180 -2.585 502 HG23 THR 82 2HG2 THR 82 2.595 -14.189 -3.228 503 H LYS 83 H LYS 83 3.673 -12.249 -2.501 504 HA LYS 83 HA LYS 83 2.469 -9.837 -2.393 505 HB2 LYS 83 1HB LYS 83 2.439 -10.204 -5.048 506 HB3 LYS 83 2HB LYS 83 3.898 -9.891 -4.127 507 HG2 LYS 83 1HG LYS 83 4.494 -12.186 -4.121 508 HG3 LYS 83 2HG LYS 83 2.932 -12.657 -4.784 509 HD2 LYS 83 1HD LYS 83 4.681 -12.683 -6.486 510 HD3 LYS 83 2HD LYS 83 3.473 -11.457 -6.836 511 HE2 LYS 83 1HE LYS 83 5.795 -10.687 -7.204 512 HE3 LYS 83 2HE LYS 83 4.918 -9.727 -6.017 513 HZ1 LYS 83 3HZ LYS 83 6.843 -11.893 -5.376 514 HZ2 LYS 83 1HZ LYS 83 6.034 -10.921 -4.252 515 HZ3 LYS 83 2HZ LYS 83 7.174 -10.235 -5.295 516 H VAL 84 H VAL 84 1.074 -12.689 -4.014 517 HA VAL 84 HA VAL 84 -1.282 -11.553 -4.845 518 HB VAL 84 HB VAL 84 -0.496 -13.723 -5.594 519 HG11 VAL 84 1HG1 VAL 84 -1.205 -14.710 -2.839 520 HG12 VAL 84 2HG1 VAL 84 0.422 -14.552 -3.496 521 HG13 VAL 84 3HG1 VAL 84 -0.704 -15.714 -4.200 522 HG21 VAL 84 3HG2 VAL 84 -3.148 -13.831 -4.224 523 HG22 VAL 84 1HG2 VAL 84 -2.614 -14.921 -5.500 524 HG23 VAL 84 2HG2 VAL 84 -2.818 -13.203 -5.836 525 H GLU 85 H GLU 85 -0.475 -12.991 -1.724 526 HA GLU 85 HA GLU 85 -3.086 -12.840 -0.625 527 HB2 GLU 85 1HB GLU 85 -0.426 -13.010 0.791 528 HB3 GLU 85 2HB GLU 85 -1.997 -13.352 1.499 529 HG2 GLU 85 1HG GLU 85 -2.273 -15.207 -0.086 530 HG3 GLU 85 2HG GLU 85 -0.662 -14.883 -0.712 531 H VAL 86 H VAL 86 -0.242 -10.732 -0.463 532 HA VAL 86 HA VAL 86 -1.306 -9.047 1.555 533 HB VAL 86 HB VAL 86 0.490 -7.487 1.003 534 HG11 VAL 86 1HG1 VAL 86 1.005 -9.386 2.430 535 HG12 VAL 86 2HG1 VAL 86 2.389 -9.005 1.405 536 HG13 VAL 86 3HG1 VAL 86 1.356 -10.375 1.009 537 HG21 VAL 86 3HG2 VAL 86 2.123 -8.024 -0.748 538 HG22 VAL 86 1HG2 VAL 86 0.528 -7.648 -1.404 539 HG23 VAL 86 2HG2 VAL 86 1.066 -9.324 -1.296 540 H ALA 87 H ALA 87 -1.101 -8.701 -1.965 541 HA ALA 87 HA ALA 87 -2.611 -6.349 -2.223 542 HB1 ALA 87 3HB ALA 87 -2.411 -8.695 -4.102 543 HB2 ALA 87 1HB ALA 87 -1.385 -7.259 -4.090 544 HB3 ALA 87 2HB ALA 87 -3.095 -7.119 -4.503 545 H LYS 88 H LYS 88 -3.570 -9.723 -1.834 546 HA LYS 88 HA LYS 88 -6.318 -9.396 -2.308 547 HB2 LYS 88 1HB LYS 88 -5.343 -11.603 -2.172 548 HB3 LYS 88 2HB LYS 88 -4.934 -11.350 -0.483 549 HG2 LYS 88 1HG LYS 88 -7.217 -11.298 0.132 550 HG3 LYS 88 2HG LYS 88 -7.732 -11.277 -1.545 551 HD2 LYS 88 1HD LYS 88 -8.021 -13.493 -0.669 552 HD3 LYS 88 2HD LYS 88 -6.703 -13.479 -1.847 553 HE2 LYS 88 1HE LYS 88 -5.097 -13.299 -0.016 554 HE3 LYS 88 2HE LYS 88 -6.412 -13.386 1.148 555 HZ1 LYS 88 3HZ LYS 88 -6.950 -15.590 0.297 556 HZ2 LYS 88 1HZ LYS 88 -5.368 -15.528 0.884 557 HZ3 LYS 88 2HZ LYS 88 -5.651 -15.509 -0.781 558 H MET 89 H MET 89 -4.493 -9.367 0.764 559 HA MET 89 HA MET 89 -6.539 -8.790 2.505 560 HB2 MET 89 1HB MET 89 -3.674 -7.980 2.508 561 HB3 MET 89 2HB MET 89 -4.750 -7.655 3.862 562 HG2 MET 89 1HG MET 89 -4.207 -10.368 2.695 563 HG3 MET 89 2HG MET 89 -3.458 -9.702 4.124 564 HE1 MET 89 3HE MET 89 -5.092 -12.511 3.905 565 HE2 MET 89 1HE MET 89 -5.933 -12.487 5.454 566 HE3 MET 89 2HE MET 89 -4.245 -11.988 5.361 567 H ILE 90 H ILE 90 -4.762 -6.658 0.409 568 HA ILE 90 HA ILE 90 -5.802 -4.221 1.438 569 HB ILE 90 HB ILE 90 -4.186 -5.020 -0.953 570 HG12 ILE 90 1HG1 ILE 90 -3.633 -3.075 1.288 571 HG13 ILE 90 2HG1 ILE 90 -3.270 -4.792 1.382 572 HG21 ILE 90 1HG2 ILE 90 -4.933 -2.153 -0.459 573 HG22 ILE 90 2HG2 ILE 90 -5.806 -3.170 -1.605 574 HG23 ILE 90 3HG2 ILE 90 -4.083 -2.854 -1.844 575 HD11 ILE 90 3HD1 ILE 90 -1.314 -3.442 0.833 576 HD12 ILE 90 1HD1 ILE 90 -2.117 -2.885 -0.631 577 HD13 ILE 90 2HD1 ILE 90 -1.708 -4.589 -0.445 578 H GLN 91 H GLN 91 -6.790 -6.415 -1.154 579 HA GLN 91 HA GLN 91 -8.929 -4.639 -1.982 580 HB2 GLN 91 1HB GLN 91 -8.134 -7.420 -2.840 581 HB3 GLN 91 2HB GLN 91 -9.438 -6.494 -3.554 582 HG2 GLN 91 1HG GLN 91 -7.907 -4.811 -4.316 583 HG3 GLN 91 2HG GLN 91 -6.584 -5.608 -3.473 584 HE21 GLN 91 2HE2 GLN 91 -5.704 -7.480 -4.316 585 HE22 GLN 91 1HE2 GLN 91 -5.999 -7.992 -5.940 586 H GLU 92 H GLU 92 -8.479 -7.284 0.179 587 HA GLU 92 HA GLU 92 -11.085 -8.382 0.164 588 HB2 GLU 92 1HB GLU 92 -9.127 -9.580 1.015 589 HB3 GLU 92 2HB GLU 92 -8.965 -8.421 2.318 590 HG2 GLU 92 1HG GLU 92 -9.980 -10.269 3.278 591 HG3 GLU 92 2HG GLU 92 -11.286 -9.130 3.004 592 H VAL 93 H VAL 93 -9.474 -6.174 2.417 593 HA VAL 93 HA VAL 93 -11.580 -5.598 4.100 594 HB VAL 93 HB VAL 93 -10.499 -3.467 4.599 595 HG11 VAL 93 1HG1 VAL 93 -9.558 -5.478 5.565 596 HG12 VAL 93 2HG1 VAL 93 -8.272 -4.329 5.193 597 HG13 VAL 93 3HG1 VAL 93 -8.547 -5.719 4.138 598 HG21 VAL 93 3HG2 VAL 93 -8.757 -4.035 2.200 599 HG22 VAL 93 1HG2 VAL 93 -8.504 -2.740 3.371 600 HG23 VAL 93 2HG2 VAL 93 -9.940 -2.735 2.346 601 H LYS 94 H LYS 94 -10.935 -4.335 0.891 602 HA LYS 94 HA LYS 94 -12.296 -3.490 -0.692 603 HB2 LYS 94 1HB LYS 94 -13.717 -5.387 -0.069 604 HB3 LYS 94 2HB LYS 94 -14.509 -4.396 1.148 605 HG2 LYS 94 1HG LYS 94 -15.353 -2.915 -0.590 606 HG3 LYS 94 2HG LYS 94 -14.539 -3.885 -1.820 607 HD2 LYS 94 1HD LYS 94 -15.887 -5.837 -1.092 608 HD3 LYS 94 2HD LYS 94 -16.759 -4.777 0.014 609 HE2 LYS 94 1HE LYS 94 -17.586 -3.458 -1.813 610 HE3 LYS 94 2HE LYS 94 -16.591 -4.350 -2.961 611 HZ1 LYS 94 3HZ LYS 94 -17.875 -6.334 -2.482 612 HZ2 LYS 94 1HZ LYS 94 -18.886 -5.085 -3.007 613 HZ3 LYS 94 2HZ LYS 94 -18.824 -5.486 -1.367 614 H GLY 95 H GLY 95 -12.367 -1.407 -1.087 615 HA2 GLY 95 1HA GLY 95 -13.646 0.581 -1.125 616 HA3 GLY 95 2HA GLY 95 -14.231 0.199 0.485 617 H GLU 96 H GLU 96 -11.463 -0.361 1.466 618 HA GLU 96 HA GLU 96 -10.564 2.406 1.599 619 HB2 GLU 96 1HB GLU 96 -10.518 2.364 4.007 620 HB3 GLU 96 2HB GLU 96 -12.143 1.995 3.444 621 HG2 GLU 96 1HG GLU 96 -11.715 -0.370 3.759 622 HG3 GLU 96 2HG GLU 96 -10.108 -0.013 4.345 623 H VAL 97 H VAL 97 -8.563 2.347 3.253 624 HA VAL 97 HA VAL 97 -6.849 0.057 2.819 625 HB VAL 97 HB VAL 97 -5.452 0.799 1.216 626 HG11 VAL 97 1HG1 VAL 97 -7.749 1.343 0.307 627 HG12 VAL 97 2HG1 VAL 97 -6.378 2.113 -0.482 628 HG13 VAL 97 3HG1 VAL 97 -7.368 3.029 0.650 629 HG21 VAL 97 3HG2 VAL 97 -4.430 2.447 2.672 630 HG22 VAL 97 1HG2 VAL 97 -5.706 3.597 2.276 631 HG23 VAL 97 2HG2 VAL 97 -4.581 3.066 1.027 632 H THR 98 H THR 98 -5.071 0.004 4.165 633 HA THR 98 HA THR 98 -4.399 2.381 5.722 634 HB THR 98 HB THR 98 -4.046 0.577 7.655 635 HG1 THR 98 HG1 THR 98 -6.477 -0.442 6.902 636 HG21 THR 98 3HG2 THR 98 -5.371 2.630 7.850 637 HG22 THR 98 1HG2 THR 98 -6.201 1.266 8.596 638 HG23 THR 98 2HG2 THR 98 -6.711 1.847 7.013 639 H ILE 99 H ILE 99 -2.332 2.733 5.079 640 HA ILE 99 HA ILE 99 -0.620 0.399 4.606 641 HB ILE 99 HB ILE 99 1.006 2.268 3.751 642 HG12 ILE 99 1HG1 ILE 99 -0.712 4.074 4.438 643 HG13 ILE 99 2HG1 ILE 99 0.089 4.218 2.880 644 HG21 ILE 99 1HG2 ILE 99 -1.345 1.274 2.158 645 HG22 ILE 99 2HG2 ILE 99 0.197 0.450 2.396 646 HG23 ILE 99 3HG2 ILE 99 0.133 1.958 1.481 647 HD11 ILE 99 3HD1 ILE 99 -2.682 3.157 3.338 648 HD12 ILE 99 1HD1 ILE 99 -1.878 3.295 1.775 649 HD13 ILE 99 2HD1 ILE 99 -2.263 4.744 2.702 650 H HIS 100 H HIS 100 1.233 0.035 5.651 651 HA HIS 100 HA HIS 100 2.059 1.997 7.693 652 HB2 HIS 100 1HB HIS 100 2.219 -1.027 7.724 653 HB3 HIS 100 2HB HIS 100 3.162 -0.020 8.812 654 HD1 HIS 100 HD1 HIS 100 2.131 -0.261 11.028 655 HD2 HIS 100 HD2 HIS 100 -0.732 0.165 8.045 656 HE1 HIS 100 HE1 HIS 100 -0.080 -0.201 12.219 657 HE2 HIS 100 HE2 HIS 100 -1.770 0.273 10.411 658 H TYR 101 H TYR 101 3.990 2.901 7.277 659 HA TYR 101 HA TYR 101 5.873 1.419 5.596 660 HB2 TYR 101 1HB TYR 101 6.286 3.456 4.227 661 HB3 TYR 101 2HB TYR 101 4.676 2.779 4.017 662 HD1 TYR 101 HD2 TYR 101 2.710 3.954 4.909 663 HD2 TYR 101 HD1 TYR 101 6.607 5.637 5.178 664 HE1 TYR 101 HE2 TYR 101 1.722 6.153 5.386 665 HE2 TYR 101 HE1 TYR 101 5.629 7.839 5.653 666 HH TYR 101 HH TYR 101 3.489 9.024 5.252 667 H ASN 102 H ASN 102 7.943 2.838 5.338 668 HA ASN 102 HA ASN 102 8.743 4.434 7.537 669 HB2 ASN 102 1HB ASN 102 10.012 2.957 8.840 670 HB3 ASN 102 2HB ASN 102 8.596 1.985 8.466 671 HD21 ASN 102 2HD2 ASN 102 8.802 0.319 6.890 672 HD22 ASN 102 1HD2 ASN 102 10.354 -0.354 6.512 673 H LYS 103 H LYS 103 11.515 3.918 7.420 674 HA LYS 103 HA LYS 103 12.187 4.053 4.599 675 HB2 LYS 103 1HB LYS 103 12.512 6.376 6.497 676 HB3 LYS 103 2HB LYS 103 13.496 6.208 5.047 677 HG2 LYS 103 1HG LYS 103 11.845 7.513 4.189 678 HG3 LYS 103 2HG LYS 103 11.106 5.943 3.924 679 HD2 LYS 103 1HD LYS 103 9.813 6.188 5.961 680 HD3 LYS 103 2HD LYS 103 10.597 7.740 6.289 681 HE2 LYS 103 1HE LYS 103 9.719 8.608 4.185 682 HE3 LYS 103 2HE LYS 103 8.936 7.076 3.878 683 HZ1 LYS 103 3HZ LYS 103 7.370 8.661 4.758 684 HZ2 LYS 103 1HZ LYS 103 8.344 8.932 6.115 685 HZ3 LYS 103 2HZ LYS 103 7.608 7.427 5.890 686 H LEU 104 H LEU 104 13.580 2.372 4.721 687 HA LEU 104 HA LEU 104 15.643 2.592 6.774 688 HB2 LEU 104 1HB LEU 104 13.702 0.476 6.394 689 HB3 LEU 104 2HB LEU 104 15.358 -0.115 6.449 690 HG LEU 104 HG LEU 104 14.002 1.586 8.519 691 HD11 LEU 104 1HD1 LEU 104 13.269 -0.702 8.628 692 HD12 LEU 104 2HD1 LEU 104 14.333 -0.330 9.988 693 HD13 LEU 104 3HD1 LEU 104 14.944 -1.264 8.619 694 HD21 LEU 104 3HD2 LEU 104 16.835 0.842 8.042 695 HD22 LEU 104 1HD2 LEU 104 16.247 0.920 9.712 696 HD23 LEU 104 2HD2 LEU 104 16.133 2.339 8.672 697 H GLN 105 H GLN 105 17.612 2.392 6.213 698 HA GLN 105 HA GLN 105 18.256 0.406 4.220 699 HB2 GLN 105 1HB GLN 105 20.134 1.884 3.364 700 HB3 GLN 105 2HB GLN 105 18.512 2.347 2.879 701 HG2 GLN 105 1HG GLN 105 18.506 4.047 4.675 702 HG3 GLN 105 2HG GLN 105 20.179 3.621 5.035 703 HE21 GLN 105 2HE2 GLN 105 20.927 5.666 4.537 704 HE22 GLN 105 1HE2 GLN 105 21.021 6.250 2.911 705 H ALA 106 H ALA 106 19.043 -1.044 5.511 706 HA ALA 106 HA ALA 106 20.147 -0.521 8.033 707 HB1 ALA 106 3HB ALA 106 20.624 -2.908 8.114 708 HB2 ALA 106 1HB ALA 106 20.312 -3.033 6.383 709 HB3 ALA 106 2HB ALA 106 19.004 -2.599 7.485 710 H ASP 107 H ASP 107 22.249 -1.359 8.770 711 HA ASP 107 HA ASP 107 24.422 -0.718 6.874 712 HB2 ASP 107 1HB ASP 107 24.205 0.109 9.789 713 HB3 ASP 107 2HB ASP 107 25.627 0.346 8.781 714 HA PRO 108 HA PRO 108 26.469 -4.495 7.502 715 HB2 PRO 108 1HB PRO 108 28.282 -3.091 9.439 716 HB3 PRO 108 2HB PRO 108 28.682 -4.295 8.210 717 HG2 PRO 108 1HG PRO 108 29.018 -1.672 7.760 718 HG3 PRO 108 2HG PRO 108 28.515 -2.783 6.477 719 HD2 PRO 108 1HD PRO 108 26.986 -0.662 7.795 720 HD3 PRO 108 2HD PRO 108 26.635 -1.524 6.287 721 H LYS 109 H LYS 109 26.608 -2.892 10.702 722 HA LYS 109 HA LYS 109 26.366 -5.171 12.278 723 HB2 LYS 109 1HB LYS 109 25.516 -3.607 14.040 724 HB3 LYS 109 2HB LYS 109 27.018 -3.098 13.283 725 HG2 LYS 109 1HG LYS 109 25.829 -1.477 11.941 726 HG3 LYS 109 2HG LYS 109 24.280 -2.061 12.551 727 HD2 LYS 109 1HD LYS 109 25.013 0.026 13.654 728 HD3 LYS 109 2HD LYS 109 24.836 -1.314 14.786 729 HE2 LYS 109 1HE LYS 109 26.849 -0.044 15.270 730 HE3 LYS 109 2HE LYS 109 27.259 -1.670 14.735 731 HZ1 LYS 109 3HZ LYS 109 28.688 -0.015 13.722 732 HZ2 LYS 109 1HZ LYS 109 27.351 0.775 13.054 733 HZ3 LYS 109 2HZ LYS 109 27.754 -0.784 12.542 734 H GLN 110 H GLN 110 23.839 -3.059 11.063 735 HA GLN 110 HA GLN 110 21.739 -4.551 12.348 736 HB2 GLN 110 1HB GLN 110 21.890 -2.034 10.749 737 HB3 GLN 110 2HB GLN 110 20.355 -2.746 11.188 738 HG2 GLN 110 1HG GLN 110 22.483 -1.769 13.052 739 HG3 GLN 110 2HG GLN 110 20.933 -1.011 12.725 740 HE21 GLN 110 2HE2 GLN 110 19.053 -1.916 13.570 741 HE22 GLN 110 1HE2 GLN 110 19.093 -3.074 14.852 742 H LEU 111 H LEU 111 23.377 -4.480 9.418 743 HA LEU 111 HA LEU 111 21.218 -5.280 7.719 744 HB2 LEU 111 1HB LEU 111 23.123 -3.946 6.921 745 HB3 LEU 111 2HB LEU 111 24.212 -5.258 7.302 746 HG LEU 111 HG LEU 111 23.619 -4.920 4.855 747 HD11 LEU 111 1HD1 LEU 111 24.661 -6.963 5.622 748 HD12 LEU 111 2HD1 LEU 111 23.458 -7.318 4.381 749 HD13 LEU 111 3HD1 LEU 111 23.090 -7.617 6.082 750 HD21 LEU 111 3HD2 LEU 111 21.510 -5.861 4.079 751 HD22 LEU 111 1HD2 LEU 111 21.242 -4.487 5.152 752 HD23 LEU 111 2HD2 LEU 111 21.010 -6.130 5.749 753 H GLU 112 H GLU 112 24.043 -6.824 9.220 754 HA GLU 112 HA GLU 112 23.528 -9.431 8.273 755 HB2 GLU 112 1HB GLU 112 24.988 -10.175 10.125 756 HB3 GLU 112 2HB GLU 112 25.690 -8.844 9.211 757 HG2 GLU 112 1HG GLU 112 25.304 -7.311 10.908 758 HG3 GLU 112 2HG GLU 112 24.108 -8.342 11.692 759 H VAL 113 H VAL 113 22.238 -7.563 10.897 760 HA VAL 113 HA VAL 113 20.962 -9.554 12.399 761 HB VAL 113 HB VAL 113 20.176 -6.679 11.883 762 HG11 VAL 113 1HG1 VAL 113 18.767 -6.835 13.865 763 HG12 VAL 113 2HG1 VAL 113 19.115 -8.560 13.985 764 HG13 VAL 113 3HG1 VAL 113 18.217 -7.934 12.602 765 HG21 VAL 113 3HG2 VAL 113 21.131 -6.292 14.104 766 HG22 VAL 113 1HG2 VAL 113 22.321 -6.939 12.976 767 HG23 VAL 113 2HG2 VAL 113 21.596 -7.990 14.192 768 H LEU 114 H LEU 114 19.950 -7.758 9.542 769 HA LEU 114 HA LEU 114 17.408 -9.092 9.361 770 HB2 LEU 114 1HB LEU 114 18.918 -7.339 7.421 771 HB3 LEU 114 2HB LEU 114 17.293 -7.927 7.167 772 HG LEU 114 HG LEU 114 18.154 -6.073 9.386 773 HD11 LEU 114 1HD1 LEU 114 16.544 -5.548 6.891 774 HD12 LEU 114 2HD1 LEU 114 18.191 -4.997 7.199 775 HD13 LEU 114 3HD1 LEU 114 16.858 -4.387 8.181 776 HD21 LEU 114 3HD2 LEU 114 15.419 -7.081 8.611 777 HD22 LEU 114 1HD2 LEU 114 15.750 -5.840 9.821 778 HD23 LEU 114 2HD2 LEU 114 16.307 -7.494 10.077 779 H PHE 115 H PHE 115 20.626 -9.571 8.319 780 HA PHE 115 HA PHE 115 19.907 -11.449 6.207 781 HB2 PHE 115 1HB PHE 115 21.793 -9.661 6.144 782 HB3 PHE 115 2HB PHE 115 22.688 -10.807 7.129 783 HD1 PHE 115 HD1 PHE 115 20.914 -10.472 3.891 784 HD2 PHE 115 HD2 PHE 115 23.892 -12.531 6.127 785 HE1 PHE 115 HE1 PHE 115 21.644 -11.630 1.847 786 HE2 PHE 115 HE2 PHE 115 24.623 -13.694 4.088 787 HZ PHE 115 HZ PHE 115 23.498 -13.243 1.946 788 H GLN 116 H GLN 116 19.333 -12.052 9.032 789 HA GLN 116 HA GLN 116 21.211 -14.180 9.684 790 HB2 GLN 116 1HB GLN 116 18.758 -13.127 11.086 791 HB3 GLN 116 2HB GLN 116 19.659 -14.524 11.649 792 HG2 GLN 116 1HG GLN 116 21.660 -13.123 11.882 793 HG3 GLN 116 2HG GLN 116 20.722 -11.725 11.358 794 HE21 GLN 116 2HE2 GLN 116 22.125 -12.212 13.862 795 HE22 GLN 116 1HE2 GLN 116 20.941 -12.052 15.114 796 H GLY 117 H GLY 117 19.071 -14.025 7.405 797 HA2 GLY 117 1HA GLY 117 18.657 -16.570 6.762 798 HA3 GLY 117 2HA GLY 117 17.457 -16.368 8.037 799 HA PRO 118 HA PRO 118 16.319 -12.802 5.104 800 HB2 PRO 118 1HB PRO 118 17.593 -12.655 2.720 801 HB3 PRO 118 2HB PRO 118 18.147 -11.830 4.162 802 HG2 PRO 118 1HG PRO 118 19.008 -14.476 3.040 803 HG3 PRO 118 2HG PRO 118 20.017 -13.117 3.592 804 HD2 PRO 118 1HD PRO 118 19.610 -15.151 5.214 805 HD3 PRO 118 2HD PRO 118 19.482 -13.489 5.828 806 H GLN 119 H GLN 119 16.929 -15.973 3.916 807 HA GLN 119 HA GLN 119 15.757 -17.446 2.659 808 HB2 GLN 119 1HB GLN 119 13.793 -16.632 3.936 809 HB3 GLN 119 2HB GLN 119 13.537 -15.392 2.717 810 HG2 GLN 119 1HG GLN 119 13.103 -17.085 1.044 811 HG3 GLN 119 2HG GLN 119 13.440 -18.358 2.217 812 HE21 GLN 119 2HE2 GLN 119 11.974 -18.735 3.881 813 HE22 GLN 119 1HE2 GLN 119 10.340 -18.175 3.805 814 H PHE 120 H PHE 120 17.147 -17.299 0.941 815 HA PHE 120 HA PHE 120 17.184 -15.154 -0.910 816 HB2 PHE 120 1HB PHE 120 18.262 -17.955 -1.294 817 HB3 PHE 120 2HB PHE 120 18.753 -16.508 -2.168 818 HD1 PHE 120 HD2 PHE 120 19.906 -14.663 -0.883 819 HD2 PHE 120 HD1 PHE 120 19.279 -18.550 0.723 820 HE1 PHE 120 HE2 PHE 120 21.653 -14.244 0.794 821 HE2 PHE 120 HE1 PHE 120 21.026 -18.140 2.406 822 HZ PHE 120 HZ PHE 120 22.216 -15.985 2.441 823 H THR 121 H THR 121 15.192 -14.812 -1.805 824 HA THR 121 HA THR 121 14.211 -16.841 -3.675 825 HB THR 121 HB THR 121 11.840 -16.152 -2.860 826 HG1 THR 121 HG1 THR 121 13.491 -15.436 -0.645 827 HG21 THR 121 3HG2 THR 121 11.821 -17.962 -1.203 828 HG22 THR 121 1HG2 THR 121 13.585 -17.943 -1.165 829 HG23 THR 121 2HG2 THR 121 12.739 -18.415 -2.638 830 H LEU 122 H LEU 122 13.448 -15.995 -5.548 831 HA LEU 122 HA LEU 122 13.957 -13.236 -6.085 832 HB2 LEU 122 1HB LEU 122 12.702 -15.418 -7.750 833 HB3 LEU 122 2HB LEU 122 12.961 -13.793 -8.345 834 HG LEU 122 HG LEU 122 14.720 -15.125 -9.199 835 HD11 LEU 122 1HD1 LEU 122 16.698 -14.088 -8.283 836 HD12 LEU 122 2HD1 LEU 122 15.818 -13.643 -6.823 837 HD13 LEU 122 3HD1 LEU 122 15.382 -12.917 -8.370 838 HD21 LEU 122 3HD2 LEU 122 15.224 -16.087 -6.389 839 HD22 LEU 122 1HD2 LEU 122 16.211 -16.469 -7.799 840 HD23 LEU 122 2HD2 LEU 122 14.542 -17.033 -7.712 841 H ARG 123 H ARG 123 12.631 -11.736 -5.255 842 HA ARG 123 HA ARG 123 9.745 -12.257 -5.270 843 HB2 ARG 123 1HB ARG 123 11.545 -10.782 -3.496 844 HB3 ARG 123 2HB ARG 123 10.080 -9.902 -3.897 845 HG2 ARG 123 1HG ARG 123 9.769 -11.130 -1.852 846 HG3 ARG 123 2HG ARG 123 8.735 -11.794 -3.113 847 HD2 ARG 123 1HD ARG 123 11.420 -12.977 -2.460 848 HD3 ARG 123 2HD ARG 123 9.959 -13.436 -1.594 849 HE ARG 123 HE ARG 123 10.203 -13.746 -4.515 850 HH11 ARG 123 1HH1 ARG 123 9.464 -15.054 -1.347 851 HH12 ARG 123 2HH1 ARG 123 8.874 -16.562 -1.969 852 HH21 ARG 123 1HH2 ARG 123 9.467 -15.738 -5.335 853 HH22 ARG 123 2HH2 ARG 123 8.894 -16.959 -4.241 854 H HIS 124 H HIS 124 8.928 -11.680 -7.143 855 HA HIS 124 HA HIS 124 9.846 -9.491 -8.716 856 HB2 HIS 124 1HB HIS 124 7.374 -11.218 -8.862 857 HB3 HIS 124 2HB HIS 124 7.743 -9.967 -10.039 858 HD1 HIS 124 HD1 HIS 124 9.381 -10.542 -11.873 859 HD2 HIS 124 HD2 HIS 124 9.215 -13.434 -8.892 860 HE1 HIS 124 HE1 HIS 124 10.697 -12.491 -12.749 861 HE2 HIS 124 HE2 HIS 124 10.723 -14.156 -10.865 862 H TRP 125 H TRP 125 8.215 -7.791 -9.497 863 HA TRP 125 HA TRP 125 7.436 -6.299 -7.157 864 HB2 TRP 125 1HB TRP 125 7.150 -5.575 -10.082 865 HB3 TRP 125 2HB TRP 125 6.989 -4.474 -8.719 866 HD1 TRP 125 HD1 TRP 125 9.432 -4.503 -7.120 867 HE1 TRP 125 HE1 TRP 125 11.815 -4.184 -8.035 868 HE3 TRP 125 HE3 TRP 125 8.594 -5.746 -12.005 869 HZ2 TRP 125 HZ2 TRP 125 13.158 -4.428 -10.502 870 HZ3 TRP 125 HZ3 TRP 125 10.481 -5.675 -13.579 871 HH2 TRP 125 HH2 TRP 125 12.716 -5.028 -12.842 872 H LEU 126 H LEU 126 5.525 -6.608 -6.221 873 HA LEU 126 HA LEU 126 3.209 -7.474 -7.754 874 HB2 LEU 126 1HB LEU 126 2.133 -7.811 -5.675 875 HB3 LEU 126 2HB LEU 126 3.785 -8.331 -5.441 876 HG LEU 126 HG LEU 126 3.883 -5.710 -4.649 877 HD11 LEU 126 1HD1 LEU 126 2.014 -5.387 -3.111 878 HD12 LEU 126 2HD1 LEU 126 1.266 -6.871 -3.705 879 HD13 LEU 126 3HD1 LEU 126 1.461 -5.488 -4.783 880 HD21 LEU 126 3HD2 LEU 126 4.951 -7.551 -3.524 881 HD22 LEU 126 1HD2 LEU 126 3.387 -8.196 -3.032 882 HD23 LEU 126 2HD2 LEU 126 3.956 -6.665 -2.368 883 H LYS 127 H LYS 127 1.100 -6.286 -7.265 884 HA LYS 127 HA LYS 127 1.421 -3.434 -6.853 885 HB2 LYS 127 1HB LYS 127 0.161 -2.851 -8.878 886 HB3 LYS 127 2HB LYS 127 1.660 -3.671 -9.276 887 HG2 LYS 127 1HG LYS 127 0.174 -4.653 -10.729 888 HG3 LYS 127 2HG LYS 127 0.168 -5.794 -9.387 889 HD2 LYS 127 1HD LYS 127 -1.869 -4.678 -8.512 890 HD3 LYS 127 2HD LYS 127 -1.884 -3.657 -9.950 891 HE2 LYS 127 1HE LYS 127 -2.140 -5.610 -11.365 892 HE3 LYS 127 2HE LYS 127 -2.031 -6.668 -9.960 893 HZ1 LYS 127 3HZ LYS 127 -4.162 -4.650 -10.404 894 HZ2 LYS 127 1HZ LYS 127 -4.074 -5.743 -9.117 895 HZ3 LYS 127 2HZ LYS 127 -4.324 -6.306 -10.691 896 H VAL 128 H VAL 128 -0.549 -2.368 -6.320 897 HA VAL 128 HA VAL 128 -3.062 -3.565 -6.338 898 HB VAL 128 HB VAL 128 -2.018 -4.985 -4.554 899 HG11 VAL 128 1HG1 VAL 128 -1.910 -2.359 -3.130 900 HG12 VAL 128 2HG1 VAL 128 -0.586 -3.478 -3.467 901 HG13 VAL 128 3HG1 VAL 128 -1.842 -3.922 -2.312 902 HG21 VAL 128 3HG2 VAL 128 -3.931 -4.851 -3.064 903 HG22 VAL 128 1HG2 VAL 128 -4.416 -4.723 -4.755 904 HG23 VAL 128 2HG2 VAL 128 -4.345 -3.276 -3.746 Start of MODEL 7 1 H1 GLY 13 1H GLY 13 21.286 -0.886 20.003 2 H2 GLY 13 2H GLY 13 20.065 -2.047 20.142 3 H3 GLY 13 3H GLY 13 20.993 -1.634 21.490 4 HA2 GLY 13 1HA GLY 13 18.789 -0.624 21.580 5 HA3 GLY 13 2HA GLY 13 20.082 0.567 21.542 6 H SER 14 H SER 14 19.066 -1.295 18.740 7 HA SER 14 HA SER 14 17.927 1.172 17.608 8 HB2 SER 14 1HB SER 14 20.120 0.614 16.595 9 HB3 SER 14 2HB SER 14 19.493 -0.971 16.142 10 HG SER 14 HG SER 14 18.696 1.575 15.187 11 HA PRO 15 HA PRO 15 14.362 -1.484 17.174 12 HB2 PRO 15 1HB PRO 15 12.732 0.303 15.976 13 HB3 PRO 15 2HB PRO 15 13.128 0.387 17.696 14 HG2 PRO 15 1HG PRO 15 14.267 1.946 15.412 15 HG3 PRO 15 2HG PRO 15 13.809 2.506 17.030 16 HD2 PRO 15 1HD PRO 15 16.381 1.968 16.299 17 HD3 PRO 15 2HD PRO 15 15.787 1.815 17.964 18 H GLY 16 H GLY 16 16.522 -0.788 14.893 19 HA2 GLY 16 1HA GLY 16 16.881 -1.853 12.864 20 HA3 GLY 16 2HA GLY 16 15.228 -2.455 12.917 21 H ILE 17 H ILE 17 13.598 -0.514 12.850 22 HA ILE 17 HA ILE 17 14.325 1.061 10.477 23 HB ILE 17 HB ILE 17 11.912 1.220 10.029 24 HG12 ILE 17 1HG1 ILE 17 11.713 -0.432 12.548 25 HG13 ILE 17 2HG1 ILE 17 10.931 1.104 12.181 26 HG21 ILE 17 1HG2 ILE 17 13.218 -0.572 9.028 27 HG22 ILE 17 2HG2 ILE 17 11.569 -1.105 9.358 28 HG23 ILE 17 3HG2 ILE 17 12.887 -1.606 10.417 29 HD11 ILE 17 3HD1 ILE 17 9.521 -0.005 10.533 30 HD12 ILE 17 1HD1 ILE 17 9.346 -0.727 12.132 31 HD13 ILE 17 2HD1 ILE 17 10.305 -1.542 10.898 32 HA PRO 18 HA PRO 18 13.847 4.724 12.899 33 HB2 PRO 18 1HB PRO 18 13.871 6.545 10.975 34 HB3 PRO 18 2HB PRO 18 15.232 5.434 11.136 35 HG2 PRO 18 1HG PRO 18 12.893 5.293 9.267 36 HG3 PRO 18 2HG PRO 18 14.618 5.109 8.904 37 HD2 PRO 18 1HD PRO 18 12.902 3.010 9.331 38 HD3 PRO 18 2HD PRO 18 14.651 2.926 9.601 39 H VAL 19 H VAL 19 12.481 7.047 11.981 40 HA VAL 19 HA VAL 19 10.103 7.183 13.047 41 HB VAL 19 HB VAL 19 10.200 8.303 10.319 42 HG11 VAL 19 1HG1 VAL 19 9.369 10.296 11.491 43 HG12 VAL 19 2HG1 VAL 19 9.485 9.411 13.010 44 HG13 VAL 19 3HG1 VAL 19 8.365 8.872 11.761 45 HG21 VAL 19 3HG2 VAL 19 12.038 9.191 12.538 46 HG22 VAL 19 1HG2 VAL 19 11.737 10.096 11.054 47 HG23 VAL 19 2HG2 VAL 19 12.518 8.517 10.980 48 HA PRO 20 HA PRO 20 7.511 4.407 10.662 49 HB2 PRO 20 1HB PRO 20 5.587 4.328 12.674 50 HB3 PRO 20 2HB PRO 20 6.966 3.243 12.518 51 HG2 PRO 20 1HG PRO 20 6.514 5.168 14.556 52 HG3 PRO 20 2HG PRO 20 7.960 4.173 14.316 53 HD2 PRO 20 1HD PRO 20 7.459 6.994 13.549 54 HD3 PRO 20 2HD PRO 20 8.985 6.180 13.930 55 H GLY 21 H GLY 21 6.134 4.996 9.157 56 HA2 GLY 21 1HA GLY 21 4.248 7.196 9.737 57 HA3 GLY 21 2HA GLY 21 4.975 6.940 8.154 58 H LYS 22 H LYS 22 2.128 6.933 9.126 59 HA LYS 22 HA LYS 22 1.321 4.626 7.607 60 HB2 LYS 22 1HB LYS 22 -0.178 3.721 9.360 61 HB3 LYS 22 2HB LYS 22 1.521 3.563 9.771 62 HG2 LYS 22 1HG LYS 22 -0.124 5.846 10.805 63 HG3 LYS 22 2HG LYS 22 -0.120 4.275 11.604 64 HD2 LYS 22 1HD LYS 22 2.304 4.419 11.887 65 HD3 LYS 22 2HD LYS 22 2.313 5.978 11.062 66 HE2 LYS 22 1HE LYS 22 0.867 5.365 13.636 67 HE3 LYS 22 2HE LYS 22 2.407 6.215 13.506 68 HZ1 LYS 22 3HZ LYS 22 1.316 7.960 12.271 69 HZ2 LYS 22 1HZ LYS 22 0.533 7.735 13.751 70 HZ3 LYS 22 2HZ LYS 22 -0.158 7.137 12.329 71 H VAL 23 H VAL 23 -0.397 5.150 6.402 72 HA VAL 23 HA VAL 23 -2.178 7.247 7.451 73 HB VAL 23 HB VAL 23 -2.441 8.233 5.242 74 HG11 VAL 23 1HG1 VAL 23 -0.229 9.264 5.010 75 HG12 VAL 23 2HG1 VAL 23 0.446 8.026 6.068 76 HG13 VAL 23 3HG1 VAL 23 -0.743 9.169 6.695 77 HG21 VAL 23 3HG2 VAL 23 -0.931 7.626 3.391 78 HG22 VAL 23 1HG2 VAL 23 -2.028 6.317 3.836 79 HG23 VAL 23 2HG2 VAL 23 -0.343 6.265 4.350 80 H THR 24 H THR 24 -4.337 7.221 6.473 81 HA THR 24 HA THR 24 -5.073 4.569 5.480 82 HB THR 24 HB THR 24 -5.495 4.471 7.849 83 HG1 THR 24 HG1 THR 24 -7.627 3.877 7.756 84 HG21 THR 24 3HG2 THR 24 -7.136 6.976 7.494 85 HG22 THR 24 1HG2 THR 24 -5.616 6.835 8.374 86 HG23 THR 24 2HG2 THR 24 -7.058 6.011 8.967 87 H LEU 25 H LEU 25 -6.092 4.748 3.669 88 HA LEU 25 HA LEU 25 -7.852 7.049 3.151 89 HB2 LEU 25 1HB LEU 25 -5.859 5.747 1.282 90 HB3 LEU 25 2HB LEU 25 -7.144 6.784 0.715 91 HG LEU 25 HG LEU 25 -5.239 8.136 0.744 92 HD11 LEU 25 1HD1 LEU 25 -6.666 8.702 3.333 93 HD12 LEU 25 2HD1 LEU 25 -7.205 9.201 1.731 94 HD13 LEU 25 3HD1 LEU 25 -5.701 9.841 2.394 95 HD21 LEU 25 3HD2 LEU 25 -4.647 7.127 3.519 96 HD22 LEU 25 1HD2 LEU 25 -3.731 8.361 2.654 97 HD23 LEU 25 2HD2 LEU 25 -3.776 6.706 2.045 98 H GLN 26 H GLN 26 -8.720 6.061 0.609 99 HA GLN 26 HA GLN 26 -9.936 3.474 1.299 100 HB2 GLN 26 1HB GLN 26 -11.140 5.751 -0.281 101 HB3 GLN 26 2HB GLN 26 -11.851 4.155 -0.115 102 HG2 GLN 26 1HG GLN 26 -11.308 6.041 2.134 103 HG3 GLN 26 2HG GLN 26 -12.851 5.823 1.332 104 HE21 GLN 26 2HE2 GLN 26 -10.578 4.500 3.565 105 HE22 GLN 26 1HE2 GLN 26 -11.605 3.247 4.171 106 H LYS 27 H LYS 27 -10.412 2.198 -0.403 107 HA LYS 27 HA LYS 27 -8.502 1.754 -2.384 108 HB2 LYS 27 1HB LYS 27 -11.427 0.945 -2.520 109 HB3 LYS 27 2HB LYS 27 -10.108 0.205 -3.384 110 HG2 LYS 27 1HG LYS 27 -10.237 0.263 -0.411 111 HG3 LYS 27 2HG LYS 27 -10.897 -1.043 -1.401 112 HD2 LYS 27 1HD LYS 27 -8.110 -0.082 -1.733 113 HD3 LYS 27 2HD LYS 27 -8.515 -1.280 -0.540 114 HE2 LYS 27 1HE LYS 27 -8.970 -1.484 -3.494 115 HE3 LYS 27 2HE LYS 27 -7.741 -2.343 -2.569 116 HZ1 LYS 27 3HZ LYS 27 -9.739 -3.675 -3.090 117 HZ2 LYS 27 1HZ LYS 27 -10.653 -2.638 -2.122 118 HZ3 LYS 27 2HZ LYS 27 -9.415 -3.559 -1.430 119 H ASP 28 H ASP 28 -8.641 1.927 -4.681 120 HA ASP 28 HA ASP 28 -9.797 4.455 -5.553 121 HB2 ASP 28 1HB ASP 28 -7.434 3.889 -6.085 122 HB3 ASP 28 2HB ASP 28 -7.984 2.489 -6.991 123 H ALA 29 H ALA 29 -10.713 4.332 -7.929 124 HA ALA 29 HA ALA 29 -13.003 2.707 -7.991 125 HB1 ALA 29 3HB ALA 29 -11.572 4.019 -10.295 126 HB2 ALA 29 1HB ALA 29 -12.771 4.796 -9.258 127 HB3 ALA 29 2HB ALA 29 -13.243 3.450 -10.297 128 H GLN 30 H GLN 30 -9.761 1.998 -8.633 129 HA GLN 30 HA GLN 30 -10.281 -0.189 -10.467 130 HB2 GLN 30 1HB GLN 30 -8.161 1.539 -9.905 131 HB3 GLN 30 2HB GLN 30 -7.610 -0.053 -9.442 132 HG2 GLN 30 1HG GLN 30 -8.333 -0.846 -11.719 133 HG3 GLN 30 2HG GLN 30 -8.559 0.851 -12.140 134 HE21 GLN 30 2HE2 GLN 30 -6.272 -1.634 -11.382 135 HE22 GLN 30 1HE2 GLN 30 -4.856 -0.776 -11.881 136 H ASN 31 H ASN 31 -10.500 0.279 -7.247 137 HA ASN 31 HA ASN 31 -10.793 -1.127 -5.460 138 HB2 ASN 31 1HB ASN 31 -11.904 -2.655 -6.977 139 HB3 ASN 31 2HB ASN 31 -10.371 -3.255 -7.566 140 HD21 ASN 31 2HD2 ASN 31 -10.744 -5.375 -7.054 141 HD22 ASN 31 1HD2 ASN 31 -10.832 -5.953 -5.423 142 H LEU 32 H LEU 32 -8.293 0.020 -6.132 143 HA LEU 32 HA LEU 32 -6.727 -1.588 -4.304 144 HB2 LEU 32 1HB LEU 32 -4.722 -1.351 -5.913 145 HB3 LEU 32 2HB LEU 32 -5.928 -2.563 -6.238 146 HG LEU 32 HG LEU 32 -6.954 -1.089 -7.937 147 HD11 LEU 32 1HD1 LEU 32 -5.711 0.820 -8.784 148 HD12 LEU 32 2HD1 LEU 32 -4.510 0.620 -7.509 149 HD13 LEU 32 3HD1 LEU 32 -6.164 1.067 -7.098 150 HD21 LEU 32 3HD2 LEU 32 -4.045 -1.742 -8.346 151 HD22 LEU 32 1HD2 LEU 32 -5.223 -1.436 -9.622 152 HD23 LEU 32 2HD2 LEU 32 -5.404 -2.843 -8.575 153 H ILE 33 H ILE 33 -4.280 -0.259 -4.524 154 HA ILE 33 HA ILE 33 -5.141 2.336 -3.503 155 HB ILE 33 HB ILE 33 -2.362 1.739 -3.019 156 HG12 ILE 33 1HG1 ILE 33 -4.340 -0.248 -1.875 157 HG13 ILE 33 2HG1 ILE 33 -3.204 -0.618 -3.170 158 HG21 ILE 33 1HG2 ILE 33 -4.812 2.164 -1.306 159 HG22 ILE 33 2HG2 ILE 33 -3.629 3.383 -1.794 160 HG23 ILE 33 3HG2 ILE 33 -3.161 2.101 -0.675 161 HD11 ILE 33 3HD1 ILE 33 -1.344 -0.124 -1.654 162 HD12 ILE 33 1HD1 ILE 33 -2.383 -1.403 -1.025 163 HD13 ILE 33 2HD1 ILE 33 -2.494 0.228 -0.363 164 H GLY 34 H GLY 34 -3.195 0.789 -5.930 165 HA2 GLY 34 1HA GLY 34 -2.632 1.918 -7.953 166 HA3 GLY 34 2HA GLY 34 -2.639 3.443 -7.079 167 H ILE 35 H ILE 35 -1.029 0.503 -6.015 168 HA ILE 35 HA ILE 35 1.565 1.805 -6.563 169 HB ILE 35 HB ILE 35 2.434 0.747 -4.470 170 HG12 ILE 35 1HG1 ILE 35 0.406 0.495 -2.749 171 HG13 ILE 35 2HG1 ILE 35 -0.435 -0.002 -4.213 172 HG21 ILE 35 1HG2 ILE 35 1.421 2.449 -2.958 173 HG22 ILE 35 2HG2 ILE 35 0.308 2.850 -4.270 174 HG23 ILE 35 3HG2 ILE 35 2.044 3.076 -4.482 175 HD11 ILE 35 3HD1 ILE 35 2.078 -1.235 -3.138 176 HD12 ILE 35 1HD1 ILE 35 1.204 -1.741 -4.588 177 HD13 ILE 35 2HD1 ILE 35 0.445 -1.898 -3.003 178 H SER 36 H SER 36 3.379 0.129 -6.130 179 HA SER 36 HA SER 36 2.611 -2.506 -7.144 180 HB2 SER 36 1HB SER 36 4.732 -0.678 -8.255 181 HB3 SER 36 2HB SER 36 4.731 -2.420 -8.557 182 HG SER 36 HG SER 36 2.393 -1.945 -9.127 183 H ILE 37 H ILE 37 3.517 -4.150 -6.114 184 HA ILE 37 HA ILE 37 5.448 -3.405 -4.013 185 HB ILE 37 HB ILE 37 3.338 -5.548 -4.022 186 HG12 ILE 37 1HG1 ILE 37 3.845 -3.159 -2.244 187 HG13 ILE 37 2HG1 ILE 37 2.574 -3.305 -3.452 188 HG21 ILE 37 1HG2 ILE 37 5.349 -6.507 -3.040 189 HG22 ILE 37 2HG2 ILE 37 4.122 -6.223 -1.804 190 HG23 ILE 37 3HG2 ILE 37 5.490 -5.121 -1.958 191 HD11 ILE 37 3HD1 ILE 37 1.700 -3.624 -1.214 192 HD12 ILE 37 1HD1 ILE 37 2.830 -4.954 -0.948 193 HD13 ILE 37 2HD1 ILE 37 1.556 -5.108 -2.158 194 H GLY 38 H GLY 38 7.228 -4.540 -3.638 195 HA2 GLY 38 1HA GLY 38 7.950 -7.051 -4.599 196 HA3 GLY 38 2HA GLY 38 8.513 -5.857 -5.765 197 H GLY 39 H GLY 39 10.605 -6.953 -4.930 198 HA2 GLY 39 1HA GLY 39 11.585 -5.369 -2.634 199 HA3 GLY 39 2HA GLY 39 12.309 -6.878 -3.187 200 H GLY 40 H GLY 40 13.636 -4.261 -2.871 201 HA2 GLY 40 1HA GLY 40 13.980 -2.832 -5.206 202 HA3 GLY 40 2HA GLY 40 15.266 -3.114 -4.043 203 H ALA 41 H ALA 41 16.472 -5.168 -4.292 204 HA ALA 41 HA ALA 41 16.989 -5.775 -7.060 205 HB1 ALA 41 3HB ALA 41 18.170 -6.944 -4.542 206 HB2 ALA 41 1HB ALA 41 18.846 -5.622 -5.491 207 HB3 ALA 41 2HB ALA 41 18.746 -7.240 -6.181 208 H GLN 42 H GLN 42 14.917 -6.548 -7.549 209 HA GLN 42 HA GLN 42 13.333 -8.029 -8.010 210 HB2 GLN 42 1HB GLN 42 13.969 -10.324 -8.488 211 HB3 GLN 42 2HB GLN 42 15.119 -9.176 -9.137 212 HG2 GLN 42 1HG GLN 42 16.565 -9.688 -7.132 213 HG3 GLN 42 2HG GLN 42 15.460 -11.018 -6.793 214 HE21 GLN 42 2HE2 GLN 42 17.956 -9.826 -8.856 215 HE22 GLN 42 1HE2 GLN 42 18.198 -11.284 -9.756 216 H TYR 43 H TYR 43 14.971 -9.879 -5.365 217 HA TYR 43 HA TYR 43 12.584 -9.579 -3.757 218 HB2 TYR 43 1HB TYR 43 12.105 -11.964 -3.533 219 HB3 TYR 43 2HB TYR 43 11.942 -11.456 -5.208 220 HD1 TYR 43 HD2 TYR 43 13.534 -12.226 -6.898 221 HD2 TYR 43 HD1 TYR 43 13.851 -13.503 -2.854 222 HE1 TYR 43 HE2 TYR 43 15.055 -14.028 -7.590 223 HE2 TYR 43 HE1 TYR 43 15.372 -15.307 -3.537 224 HH TYR 43 HH TYR 43 16.866 -15.404 -6.536 225 H CYS 44 H CYS 44 15.618 -9.197 -3.684 226 HA CYS 44 HA CYS 44 16.366 -11.087 -1.610 227 HB2 CYS 44 1HB CYS 44 18.079 -9.011 -2.993 228 HB3 CYS 44 2HB CYS 44 18.643 -10.291 -1.931 229 HG CYS 44 HG CYS 44 18.840 -12.138 -3.715 230 HA PRO 45 HA PRO 45 16.487 -7.158 0.878 231 HB2 PRO 45 1HB PRO 45 16.500 -4.712 -0.214 232 HB3 PRO 45 2HB PRO 45 17.934 -5.742 -0.243 233 HG2 PRO 45 1HG PRO 45 16.142 -4.980 -2.438 234 HG3 PRO 45 2HG PRO 45 17.797 -5.608 -2.505 235 HD2 PRO 45 1HD PRO 45 15.283 -7.041 -2.814 236 HD3 PRO 45 2HD PRO 45 16.935 -7.621 -3.087 237 H CYS 46 H CYS 46 15.161 -4.763 1.130 238 HA CYS 46 HA CYS 46 12.367 -5.541 0.627 239 HB2 CYS 46 1HB CYS 46 13.535 -4.080 3.001 240 HB3 CYS 46 2HB CYS 46 11.814 -4.319 2.726 241 HG CYS 46 HG CYS 46 13.530 -7.172 2.644 242 H LEU 47 H LEU 47 10.933 -3.588 1.048 243 HA LEU 47 HA LEU 47 11.164 -1.048 1.188 244 HB2 LEU 47 1HB LEU 47 11.339 0.034 -1.030 245 HB3 LEU 47 2HB LEU 47 12.832 -0.700 -0.501 246 HG LEU 47 HG LEU 47 12.160 -2.666 -2.057 247 HD11 LEU 47 1HD1 LEU 47 10.481 -0.455 -3.233 248 HD12 LEU 47 2HD1 LEU 47 9.871 -1.940 -2.502 249 HD13 LEU 47 3HD1 LEU 47 10.825 -2.013 -3.983 250 HD21 LEU 47 3HD2 LEU 47 13.189 -1.486 -3.966 251 HD22 LEU 47 1HD2 LEU 47 14.055 -1.232 -2.452 252 HD23 LEU 47 2HD2 LEU 47 13.007 0.032 -3.093 253 H TYR 48 H TYR 48 10.004 -3.413 -1.058 254 HA TYR 48 HA TYR 48 8.003 -4.141 -1.644 255 HB2 TYR 48 1HB TYR 48 7.281 -2.856 0.963 256 HB3 TYR 48 2HB TYR 48 6.116 -3.776 0.001 257 HD1 TYR 48 HD1 TYR 48 9.321 -3.975 1.809 258 HD2 TYR 48 HD2 TYR 48 6.225 -6.160 -0.116 259 HE1 TYR 48 HE1 TYR 48 10.273 -6.059 2.665 260 HE2 TYR 48 HE2 TYR 48 7.162 -8.261 0.753 261 HH TYR 48 HH TYR 48 9.488 -8.364 3.190 262 H ILE 49 H ILE 49 8.142 -0.608 -1.311 263 HA ILE 49 HA ILE 49 6.046 -0.705 -3.379 264 HB ILE 49 HB ILE 49 5.696 0.754 -1.276 265 HG12 ILE 49 1HG1 ILE 49 4.394 0.706 -3.482 266 HG13 ILE 49 2HG1 ILE 49 4.214 2.126 -2.462 267 HG21 ILE 49 1HG2 ILE 49 6.479 3.055 -1.471 268 HG22 ILE 49 2HG2 ILE 49 7.446 2.594 -2.875 269 HG23 ILE 49 3HG2 ILE 49 7.817 1.918 -1.287 270 HD11 ILE 49 3HD1 ILE 49 4.412 2.751 -4.789 271 HD12 ILE 49 1HD1 ILE 49 5.950 1.895 -4.911 272 HD13 ILE 49 2HD1 ILE 49 5.815 3.323 -3.884 273 H VAL 50 H VAL 50 6.783 -0.772 -5.312 274 HA VAL 50 HA VAL 50 9.465 0.240 -5.890 275 HB VAL 50 HB VAL 50 7.675 -1.454 -7.642 276 HG11 VAL 50 1HG1 VAL 50 9.413 -0.286 -8.877 277 HG12 VAL 50 2HG1 VAL 50 9.755 -2.016 -8.814 278 HG13 VAL 50 3HG1 VAL 50 10.638 -0.902 -7.768 279 HG21 VAL 50 3HG2 VAL 50 9.879 -2.332 -5.781 280 HG22 VAL 50 1HG2 VAL 50 8.996 -3.371 -6.899 281 HG23 VAL 50 2HG2 VAL 50 8.155 -2.612 -5.547 282 H GLN 51 H GLN 51 6.117 0.870 -6.642 283 HA GLN 51 HA GLN 51 6.817 3.135 -8.265 284 HB2 GLN 51 1HB GLN 51 6.851 1.929 -10.176 285 HB3 GLN 51 2HB GLN 51 6.048 0.554 -9.433 286 HG2 GLN 51 1HG GLN 51 3.909 1.729 -9.653 287 HG3 GLN 51 2HG GLN 51 4.729 3.032 -10.497 288 HE21 GLN 51 2HE2 GLN 51 3.525 -0.171 -10.701 289 HE22 GLN 51 1HE2 GLN 51 3.776 -0.357 -12.397 290 H VAL 52 H VAL 52 5.233 4.647 -8.245 291 HA VAL 52 HA VAL 52 2.521 3.846 -7.490 292 HB VAL 52 HB VAL 52 3.826 4.774 -5.485 293 HG11 VAL 52 1HG1 VAL 52 5.032 6.573 -6.395 294 HG12 VAL 52 2HG1 VAL 52 3.767 7.309 -5.403 295 HG13 VAL 52 3HG1 VAL 52 3.593 7.250 -7.156 296 HG21 VAL 52 3HG2 VAL 52 1.284 6.128 -6.330 297 HG22 VAL 52 1HG2 VAL 52 1.915 6.077 -4.686 298 HG23 VAL 52 2HG2 VAL 52 1.413 4.587 -5.489 299 H PHE 53 H PHE 53 0.943 5.554 -8.060 300 HA PHE 53 HA PHE 53 1.842 6.944 -10.476 301 HB2 PHE 53 1HB PHE 53 -0.998 6.404 -9.585 302 HB3 PHE 53 2HB PHE 53 -0.481 6.989 -11.163 303 HD1 PHE 53 HD2 PHE 53 1.910 5.145 -11.502 304 HD2 PHE 53 HD1 PHE 53 -2.088 4.419 -10.249 305 HE1 PHE 53 HE2 PHE 53 2.100 2.812 -12.263 306 HE2 PHE 53 HE1 PHE 53 -1.909 2.088 -11.007 307 HZ PHE 53 HZ PHE 53 0.187 1.283 -12.017 308 H ASP 54 H ASP 54 -0.832 8.618 -9.981 309 HA ASP 54 HA ASP 54 0.263 10.357 -7.874 310 HB2 ASP 54 1HB ASP 54 0.936 11.132 -10.171 311 HB3 ASP 54 2HB ASP 54 -0.766 11.426 -10.499 312 H ASN 55 H ASN 55 -2.536 9.300 -9.632 313 HA ASN 55 HA ASN 55 -4.264 11.084 -8.109 314 HB2 ASN 55 1HB ASN 55 -4.737 9.568 -10.677 315 HB3 ASN 55 2HB ASN 55 -6.014 10.407 -9.804 316 HD21 ASN 55 2HD2 ASN 55 -3.130 10.754 -11.700 317 HD22 ASN 55 1HD2 ASN 55 -3.306 12.443 -12.017 318 H THR 56 H THR 56 -3.024 8.113 -7.857 319 HA THR 56 HA THR 56 -5.441 6.717 -7.087 320 HB THR 56 HB THR 56 -3.929 4.867 -6.498 321 HG1 THR 56 HG1 THR 56 -1.729 5.103 -6.624 322 HG21 THR 56 3HG2 THR 56 -3.171 6.074 -9.147 323 HG22 THR 56 1HG2 THR 56 -4.662 5.184 -8.842 324 HG23 THR 56 2HG2 THR 56 -3.106 4.372 -8.698 325 HA PRO 57 HA PRO 57 -5.563 8.140 -2.972 326 HB2 PRO 57 1HB PRO 57 -5.734 5.725 -1.554 327 HB3 PRO 57 2HB PRO 57 -7.093 6.647 -2.192 328 HG2 PRO 57 1HG PRO 57 -5.739 4.250 -3.319 329 HG3 PRO 57 2HG PRO 57 -7.443 4.721 -3.399 330 HD2 PRO 57 1HD PRO 57 -5.786 4.979 -5.503 331 HD3 PRO 57 2HD PRO 57 -7.098 6.134 -5.191 332 H ALA 58 H ALA 58 -3.572 5.288 -3.459 333 HA ALA 58 HA ALA 58 -1.758 5.545 -1.357 334 HB1 ALA 58 3HB ALA 58 -1.202 4.549 -4.135 335 HB2 ALA 58 1HB ALA 58 -1.953 3.599 -2.854 336 HB3 ALA 58 2HB ALA 58 -0.293 4.160 -2.671 337 H ALA 59 H ALA 59 -1.613 6.839 -4.671 338 HA ALA 59 HA ALA 59 0.931 8.082 -4.246 339 HB1 ALA 59 3HB ALA 59 0.672 8.963 -6.411 340 HB2 ALA 59 1HB ALA 59 -1.084 8.816 -6.344 341 HB3 ALA 59 2HB ALA 59 -0.084 7.371 -6.450 342 H LEU 60 H LEU 60 -2.339 9.330 -4.693 343 HA LEU 60 HA LEU 60 -1.750 11.993 -4.504 344 HB2 LEU 60 1HB LEU 60 -3.969 12.429 -4.345 345 HB3 LEU 60 2HB LEU 60 -3.798 11.025 -5.358 346 HG LEU 60 HG LEU 60 -4.413 9.915 -2.959 347 HD11 LEU 60 1HD1 LEU 60 -4.637 12.386 -2.265 348 HD12 LEU 60 2HD1 LEU 60 -5.920 11.257 -1.799 349 HD13 LEU 60 3HD1 LEU 60 -6.152 12.342 -3.174 350 HD21 LEU 60 3HD2 LEU 60 -6.650 9.692 -3.921 351 HD22 LEU 60 1HD2 LEU 60 -5.397 9.447 -5.140 352 HD23 LEU 60 2HD2 LEU 60 -6.274 10.973 -5.075 353 H ASP 61 H ASP 61 -3.551 10.592 -1.813 354 HA ASP 61 HA ASP 61 -2.245 12.543 -0.060 355 HB2 ASP 61 1HB ASP 61 -4.746 12.313 -0.057 356 HB3 ASP 61 2HB ASP 61 -4.548 10.678 0.565 357 H GLY 62 H GLY 62 -2.091 9.453 -1.107 358 HA2 GLY 62 1HA GLY 62 -1.767 7.937 1.268 359 HA3 GLY 62 2HA GLY 62 -1.217 7.451 -0.325 360 H THR 63 H THR 63 0.619 9.548 -0.724 361 HA THR 63 HA THR 63 2.835 9.914 -0.536 362 HB THR 63 HB THR 63 3.658 10.567 1.715 363 HG1 THR 63 HG1 THR 63 1.572 9.113 2.551 364 HG21 THR 63 3HG2 THR 63 1.041 11.602 0.690 365 HG22 THR 63 1HG2 THR 63 2.655 12.160 0.268 366 HG23 THR 63 2HG2 THR 63 2.021 12.454 1.889 367 H VAL 64 H VAL 64 2.104 7.336 -0.783 368 HA VAL 64 HA VAL 64 4.355 5.966 0.522 369 HB VAL 64 HB VAL 64 3.145 3.813 0.079 370 HG11 VAL 64 1HG1 VAL 64 1.981 4.015 2.138 371 HG12 VAL 64 2HG1 VAL 64 1.764 5.752 1.898 372 HG13 VAL 64 3HG1 VAL 64 3.374 5.102 2.198 373 HG21 VAL 64 3HG2 VAL 64 0.712 3.912 -0.164 374 HG22 VAL 64 1HG2 VAL 64 1.501 4.659 -1.554 375 HG23 VAL 64 2HG2 VAL 64 0.786 5.670 -0.298 376 H ALA 65 H ALA 65 5.161 7.286 -1.281 377 HA ALA 65 HA ALA 65 4.682 6.282 -3.956 378 HB1 ALA 65 3HB ALA 65 6.067 8.159 -4.693 379 HB2 ALA 65 1HB ALA 65 6.433 8.546 -3.012 380 HB3 ALA 65 2HB ALA 65 4.778 8.680 -3.609 381 H ALA 66 H ALA 66 6.659 6.152 -5.422 382 HA ALA 66 HA ALA 66 7.871 3.746 -4.888 383 HB1 ALA 66 3HB ALA 66 9.226 4.141 -6.836 384 HB2 ALA 66 1HB ALA 66 8.922 5.877 -6.735 385 HB3 ALA 66 2HB ALA 66 7.600 4.772 -7.110 386 H GLY 67 H GLY 67 9.609 3.054 -3.829 387 HA2 GLY 67 1HA GLY 67 11.904 3.203 -3.216 388 HA3 GLY 67 2HA GLY 67 11.772 4.954 -3.250 389 H ASP 68 H ASP 68 9.075 3.820 -1.713 390 HA ASP 68 HA ASP 68 10.233 4.466 0.883 391 HB2 ASP 68 1HB ASP 68 7.870 5.213 -0.150 392 HB3 ASP 68 2HB ASP 68 7.362 3.734 0.655 393 H GLU 69 H GLU 69 9.327 3.123 2.761 394 HA GLU 69 HA GLU 69 9.910 0.310 2.104 395 HB2 GLU 69 1HB GLU 69 11.152 2.103 3.896 396 HB3 GLU 69 2HB GLU 69 10.271 0.953 4.889 397 HG2 GLU 69 1HG GLU 69 12.099 0.057 2.694 398 HG3 GLU 69 2HG GLU 69 12.695 0.434 4.308 399 H ILE 70 H ILE 70 7.774 -0.318 1.788 400 HA ILE 70 HA ILE 70 5.746 0.245 3.758 401 HB ILE 70 HB ILE 70 5.581 -1.802 1.552 402 HG12 ILE 70 1HG1 ILE 70 6.234 0.305 0.543 403 HG13 ILE 70 2HG1 ILE 70 4.550 -0.043 0.166 404 HG21 ILE 70 1HG2 ILE 70 3.171 -1.359 1.692 405 HG22 ILE 70 2HG2 ILE 70 3.468 -0.248 3.029 406 HG23 ILE 70 3HG2 ILE 70 3.828 -1.965 3.213 407 HD11 ILE 70 3HD1 ILE 70 3.856 1.519 1.912 408 HD12 ILE 70 1HD1 ILE 70 4.854 2.295 0.679 409 HD13 ILE 70 2HD1 ILE 70 5.549 1.880 2.247 410 H THR 71 H THR 71 5.788 -0.736 5.656 411 HA THR 71 HA THR 71 6.963 -3.415 5.839 412 HB THR 71 HB THR 71 7.935 -1.567 7.221 413 HG1 THR 71 HG1 THR 71 8.447 -3.401 8.173 414 HG21 THR 71 3HG2 THR 71 5.886 -0.360 7.750 415 HG22 THR 71 1HG2 THR 71 6.728 -0.836 9.224 416 HG23 THR 71 2HG2 THR 71 5.305 -1.733 8.694 417 H GLY 72 H GLY 72 3.953 -1.950 5.701 418 HA2 GLY 72 1HA GLY 72 2.712 -4.381 6.710 419 HA3 GLY 72 2HA GLY 72 2.290 -2.905 7.556 420 H VAL 73 H VAL 73 0.912 -4.931 5.714 421 HA VAL 73 HA VAL 73 -0.196 -3.111 3.719 422 HB VAL 73 HB VAL 73 0.317 -5.010 2.503 423 HG11 VAL 73 1HG1 VAL 73 -0.324 -6.762 4.877 424 HG12 VAL 73 2HG1 VAL 73 1.294 -6.173 4.500 425 HG13 VAL 73 3HG1 VAL 73 0.462 -7.250 3.375 426 HG21 VAL 73 3HG2 VAL 73 -1.632 -6.507 2.363 427 HG22 VAL 73 1HG2 VAL 73 -2.082 -4.800 2.372 428 HG23 VAL 73 2HG2 VAL 73 -2.253 -5.763 3.840 429 H ASN 74 H ASN 74 -2.093 -2.199 4.254 430 HA ASN 74 HA ASN 74 -4.091 -1.787 5.243 431 HB2 ASN 74 1HB ASN 74 -4.676 -3.754 3.818 432 HB3 ASN 74 2HB ASN 74 -4.383 -4.803 5.201 433 HD21 ASN 74 2HD2 ASN 74 -6.589 -5.482 4.875 434 HD22 ASN 74 1HD2 ASN 74 -7.877 -4.535 5.541 435 H GLY 75 H GLY 75 -1.777 -2.100 6.923 436 HA2 GLY 75 1HA GLY 75 -1.699 -1.535 9.214 437 HA3 GLY 75 2HA GLY 75 -3.222 -2.376 9.447 438 H ARG 76 H ARG 76 -1.988 -4.715 7.842 439 HA ARG 76 HA ARG 76 -0.597 -5.852 10.135 440 HB2 ARG 76 1HB ARG 76 -1.336 -7.985 8.857 441 HB3 ARG 76 2HB ARG 76 -2.498 -7.113 9.824 442 HG2 ARG 76 1HG ARG 76 -3.118 -5.942 7.637 443 HG3 ARG 76 2HG ARG 76 -2.220 -7.237 6.849 444 HD2 ARG 76 1HD ARG 76 -4.578 -7.570 8.696 445 HD3 ARG 76 2HD ARG 76 -4.605 -7.735 6.944 446 HE ARG 76 HE ARG 76 -2.846 -9.499 8.483 447 HH11 ARG 76 1HH1 ARG 76 -5.754 -9.060 6.577 448 HH12 ARG 76 2HH1 ARG 76 -6.012 -10.760 6.346 449 HH21 ARG 76 1HH2 ARG 76 -3.177 -11.747 8.152 450 HH22 ARG 76 2HH2 ARG 76 -4.542 -12.281 7.226 451 H SER 77 H SER 77 1.356 -6.893 9.853 452 HA SER 77 HA SER 77 3.057 -5.772 7.934 453 HB2 SER 77 1HB SER 77 3.739 -6.656 10.176 454 HB3 SER 77 2HB SER 77 3.565 -8.288 9.531 455 HG SER 77 HG SER 77 5.432 -6.285 8.845 456 H ILE 78 H ILE 78 3.984 -6.511 6.068 457 HA ILE 78 HA ILE 78 2.588 -8.527 4.560 458 HB ILE 78 HB ILE 78 4.040 -8.072 2.734 459 HG12 ILE 78 1HG1 ILE 78 6.173 -8.147 4.068 460 HG13 ILE 78 2HG1 ILE 78 6.127 -6.914 2.819 461 HG21 ILE 78 1HG2 ILE 78 2.493 -6.296 3.002 462 HG22 ILE 78 2HG2 ILE 78 4.042 -5.571 2.570 463 HG23 ILE 78 3HG2 ILE 78 3.486 -5.529 4.244 464 HD11 ILE 78 3HD1 ILE 78 7.168 -6.052 4.810 465 HD12 ILE 78 1HD1 ILE 78 5.754 -6.483 5.772 466 HD13 ILE 78 2HD1 ILE 78 5.631 -5.228 4.539 467 H LYS 79 H LYS 79 5.224 -8.283 6.647 468 HA LYS 79 HA LYS 79 6.880 -10.378 5.792 469 HB2 LYS 79 1HB LYS 79 7.611 -8.584 7.279 470 HB3 LYS 79 2HB LYS 79 6.474 -9.117 8.504 471 HG2 LYS 79 1HG LYS 79 7.715 -11.096 8.916 472 HG3 LYS 79 2HG LYS 79 8.728 -10.830 7.499 473 HD2 LYS 79 1HD LYS 79 9.966 -10.240 9.481 474 HD3 LYS 79 2HD LYS 79 9.616 -8.781 8.561 475 HE2 LYS 79 1HE LYS 79 7.862 -9.663 10.829 476 HE3 LYS 79 2HE LYS 79 9.320 -8.725 11.114 477 HZ1 LYS 79 3HZ LYS 79 8.421 -6.997 9.652 478 HZ2 LYS 79 1HZ LYS 79 7.411 -7.285 10.977 479 HZ3 LYS 79 2HZ LYS 79 6.999 -7.889 9.457 480 H GLY 80 H GLY 80 5.933 -12.284 5.446 481 HA2 GLY 80 1HA GLY 80 5.477 -14.258 7.092 482 HA3 GLY 80 2HA GLY 80 4.028 -13.313 7.407 483 H LYS 81 H LYS 81 3.851 -12.382 4.555 484 HA LYS 81 HA LYS 81 3.146 -14.997 3.400 485 HB2 LYS 81 1HB LYS 81 1.115 -14.032 2.395 486 HB3 LYS 81 2HB LYS 81 1.069 -14.036 4.146 487 HG2 LYS 81 1HG LYS 81 1.860 -11.606 2.586 488 HG3 LYS 81 2HG LYS 81 0.178 -11.990 2.945 489 HD2 LYS 81 1HD LYS 81 2.207 -11.909 5.131 490 HD3 LYS 81 2HD LYS 81 1.508 -10.420 4.510 491 HE2 LYS 81 1HE LYS 81 0.267 -11.153 6.455 492 HE3 LYS 81 2HE LYS 81 -0.743 -11.296 5.023 493 HZ1 LYS 81 3HZ LYS 81 -0.347 -13.659 4.989 494 HZ2 LYS 81 1HZ LYS 81 -0.932 -13.210 6.510 495 HZ3 LYS 81 2HZ LYS 81 0.711 -13.549 6.305 496 H THR 82 H THR 82 2.022 -13.016 1.179 497 HA THR 82 HA THR 82 4.596 -12.725 -0.183 498 HB THR 82 HB THR 82 2.408 -14.249 -1.574 499 HG1 THR 82 HG1 THR 82 2.802 -15.566 0.162 500 HG21 THR 82 3HG2 THR 82 4.281 -15.110 -2.898 501 HG22 THR 82 1HG2 THR 82 5.410 -14.189 -1.904 502 HG23 THR 82 2HG2 THR 82 4.243 -13.347 -2.923 503 H LYS 83 H LYS 83 4.410 -11.563 -2.206 504 HA LYS 83 HA LYS 83 2.958 -9.249 -2.158 505 HB2 LYS 83 1HB LYS 83 3.348 -10.191 -4.893 506 HB3 LYS 83 2HB LYS 83 4.022 -8.784 -4.085 507 HG2 LYS 83 1HG LYS 83 5.633 -10.390 -2.971 508 HG3 LYS 83 2HG LYS 83 5.083 -11.587 -4.135 509 HD2 LYS 83 1HD LYS 83 6.342 -8.920 -4.780 510 HD3 LYS 83 2HD LYS 83 7.125 -10.494 -4.904 511 HE2 LYS 83 1HE LYS 83 4.733 -9.570 -6.493 512 HE3 LYS 83 2HE LYS 83 6.386 -9.687 -7.089 513 HZ1 LYS 83 3HZ LYS 83 6.245 -12.117 -6.525 514 HZ2 LYS 83 1HZ LYS 83 5.266 -11.609 -7.809 515 HZ3 LYS 83 2HZ LYS 83 4.587 -11.899 -6.291 516 H VAL 84 H VAL 84 2.168 -12.150 -4.063 517 HA VAL 84 HA VAL 84 -0.218 -11.345 -5.128 518 HB VAL 84 HB VAL 84 0.914 -13.357 -5.824 519 HG11 VAL 84 1HG1 VAL 84 0.129 -14.527 -3.163 520 HG12 VAL 84 2HG1 VAL 84 1.761 -14.071 -3.644 521 HG13 VAL 84 3HG1 VAL 84 0.930 -15.382 -4.481 522 HG21 VAL 84 3HG2 VAL 84 -0.988 -14.866 -5.948 523 HG22 VAL 84 1HG2 VAL 84 -1.449 -13.191 -6.244 524 HG23 VAL 84 2HG2 VAL 84 -1.793 -13.936 -4.685 525 H GLU 85 H GLU 85 0.390 -12.697 -1.925 526 HA GLU 85 HA GLU 85 -2.369 -12.926 -1.232 527 HB2 GLU 85 1HB GLU 85 0.043 -12.901 0.587 528 HB3 GLU 85 2HB GLU 85 -1.561 -13.499 0.985 529 HG2 GLU 85 1HG GLU 85 -1.312 -15.239 -0.727 530 HG3 GLU 85 2HG GLU 85 0.313 -14.656 -1.062 531 H VAL 86 H VAL 86 0.171 -10.530 -0.641 532 HA VAL 86 HA VAL 86 -1.339 -9.077 1.275 533 HB VAL 86 HB VAL 86 0.323 -7.296 1.023 534 HG11 VAL 86 1HG1 VAL 86 0.720 -9.374 2.417 535 HG12 VAL 86 2HG1 VAL 86 2.166 -8.484 1.939 536 HG13 VAL 86 3HG1 VAL 86 1.722 -9.962 1.080 537 HG21 VAL 86 3HG2 VAL 86 2.321 -7.732 -0.394 538 HG22 VAL 86 1HG2 VAL 86 0.851 -7.318 -1.283 539 HG23 VAL 86 2HG2 VAL 86 1.385 -8.996 -1.191 540 H ALA 87 H ALA 87 -0.784 -8.604 -2.183 541 HA ALA 87 HA ALA 87 -2.420 -6.430 -2.737 542 HB1 ALA 87 3HB ALA 87 -1.206 -7.559 -4.484 543 HB2 ALA 87 1HB ALA 87 -2.921 -7.511 -4.888 544 HB3 ALA 87 2HB ALA 87 -2.198 -9.006 -4.291 545 H LYS 88 H LYS 88 -3.398 -9.837 -2.218 546 HA LYS 88 HA LYS 88 -6.166 -9.453 -2.534 547 HB2 LYS 88 1HB LYS 88 -5.308 -11.689 -2.466 548 HB3 LYS 88 2HB LYS 88 -4.684 -11.451 -0.841 549 HG2 LYS 88 1HG LYS 88 -6.863 -11.350 0.068 550 HG3 LYS 88 2HG LYS 88 -7.591 -11.251 -1.525 551 HD2 LYS 88 1HD LYS 88 -7.879 -13.482 -0.688 552 HD3 LYS 88 2HD LYS 88 -6.729 -13.492 -2.028 553 HE2 LYS 88 1HE LYS 88 -5.838 -14.896 -0.317 554 HE3 LYS 88 2HE LYS 88 -4.901 -13.403 -0.353 555 HZ1 LYS 88 3HZ LYS 88 -7.074 -14.009 1.570 556 HZ2 LYS 88 1HZ LYS 88 -6.150 -12.596 1.543 557 HZ3 LYS 88 2HZ LYS 88 -5.422 -14.074 1.912 558 H MET 89 H MET 89 -4.121 -9.357 0.349 559 HA MET 89 HA MET 89 -6.057 -8.798 2.260 560 HB2 MET 89 1HB MET 89 -3.211 -7.852 2.110 561 HB3 MET 89 2HB MET 89 -4.191 -7.835 3.565 562 HG2 MET 89 1HG MET 89 -4.235 -10.178 3.682 563 HG3 MET 89 2HG MET 89 -3.654 -10.355 2.030 564 HE1 MET 89 3HE MET 89 -1.027 -8.842 5.503 565 HE2 MET 89 1HE MET 89 -2.715 -9.312 5.695 566 HE3 MET 89 2HE MET 89 -2.301 -7.879 4.756 567 H ILE 90 H ILE 90 -4.390 -6.705 0.018 568 HA ILE 90 HA ILE 90 -5.456 -4.256 1.011 569 HB ILE 90 HB ILE 90 -4.114 -5.019 -1.572 570 HG12 ILE 90 1HG1 ILE 90 -2.702 -4.983 0.431 571 HG13 ILE 90 2HG1 ILE 90 -2.253 -3.704 -0.689 572 HG21 ILE 90 1HG2 ILE 90 -4.832 -2.217 -0.746 573 HG22 ILE 90 2HG2 ILE 90 -5.718 -3.163 -1.943 574 HG23 ILE 90 3HG2 ILE 90 -4.029 -2.737 -2.235 575 HD11 ILE 90 3HD1 ILE 90 -2.192 -2.854 1.549 576 HD12 ILE 90 1HD1 ILE 90 -3.839 -3.405 1.850 577 HD13 ILE 90 2HD1 ILE 90 -3.543 -2.108 0.695 578 H GLN 91 H GLN 91 -6.509 -6.582 -1.466 579 HA GLN 91 HA GLN 91 -8.716 -4.921 -2.264 580 HB2 GLN 91 1HB GLN 91 -8.000 -7.788 -2.846 581 HB3 GLN 91 2HB GLN 91 -9.412 -6.990 -3.497 582 HG2 GLN 91 1HG GLN 91 -8.062 -5.413 -4.680 583 HG3 GLN 91 2HG GLN 91 -6.607 -6.026 -3.911 584 HE21 GLN 91 2HE2 GLN 91 -9.028 -6.602 -6.319 585 HE22 GLN 91 1HE2 GLN 91 -8.217 -7.898 -7.119 586 H GLU 92 H GLU 92 -8.135 -7.221 0.206 587 HA GLU 92 HA GLU 92 -10.657 -8.443 0.418 588 HB2 GLU 92 1HB GLU 92 -8.828 -9.548 1.360 589 HB3 GLU 92 2HB GLU 92 -8.310 -8.152 2.264 590 HG2 GLU 92 1HG GLU 92 -10.051 -8.405 3.834 591 HG3 GLU 92 2HG GLU 92 -10.884 -9.578 2.819 592 H VAL 93 H VAL 93 -9.230 -5.732 2.060 593 HA VAL 93 HA VAL 93 -10.899 -4.803 3.910 594 HB VAL 93 HB VAL 93 -10.750 -2.482 2.845 595 HG11 VAL 93 1HG1 VAL 93 -8.196 -3.999 3.184 596 HG12 VAL 93 2HG1 VAL 93 -9.158 -3.297 4.492 597 HG13 VAL 93 3HG1 VAL 93 -8.421 -2.251 3.278 598 HG21 VAL 93 3HG2 VAL 93 -8.994 -3.970 0.925 599 HG22 VAL 93 1HG2 VAL 93 -9.219 -2.224 1.010 600 HG23 VAL 93 2HG2 VAL 93 -10.564 -3.261 0.531 601 H LYS 94 H LYS 94 -11.671 -4.749 0.462 602 HA LYS 94 HA LYS 94 -13.325 -3.774 -0.716 603 HB2 LYS 94 1HB LYS 94 -14.946 -4.566 1.711 604 HB3 LYS 94 2HB LYS 94 -15.631 -4.033 0.183 605 HG2 LYS 94 1HG LYS 94 -14.589 -5.950 -0.940 606 HG3 LYS 94 2HG LYS 94 -13.944 -6.491 0.609 607 HD2 LYS 94 1HD LYS 94 -16.875 -6.145 -0.011 608 HD3 LYS 94 2HD LYS 94 -16.010 -7.680 -0.067 609 HE2 LYS 94 1HE LYS 94 -15.479 -7.476 2.306 610 HE3 LYS 94 2HE LYS 94 -16.310 -5.923 2.367 611 HZ1 LYS 94 3HZ LYS 94 -17.691 -7.728 3.196 612 HZ2 LYS 94 1HZ LYS 94 -17.581 -8.523 1.706 613 HZ3 LYS 94 2HZ LYS 94 -18.370 -7.032 1.813 614 H GLY 95 H GLY 95 -12.113 -1.664 -0.369 615 HA2 GLY 95 1HA GLY 95 -13.420 0.411 -0.717 616 HA3 GLY 95 2HA GLY 95 -14.181 0.081 0.827 617 H GLU 96 H GLU 96 -11.637 -0.695 2.136 618 HA GLU 96 HA GLU 96 -10.786 2.077 2.500 619 HB2 GLU 96 1HB GLU 96 -10.299 1.599 4.789 620 HB3 GLU 96 2HB GLU 96 -11.921 1.006 4.455 621 HG2 GLU 96 1HG GLU 96 -11.126 -1.225 4.310 622 HG3 GLU 96 2HG GLU 96 -9.464 -0.706 4.449 623 H VAL 97 H VAL 97 -8.593 2.089 3.585 624 HA VAL 97 HA VAL 97 -6.663 0.355 2.370 625 HB VAL 97 HB VAL 97 -7.500 2.999 1.381 626 HG11 VAL 97 1HG1 VAL 97 -5.376 3.566 2.357 627 HG12 VAL 97 2HG1 VAL 97 -5.342 3.653 0.593 628 HG13 VAL 97 3HG1 VAL 97 -4.594 2.288 1.428 629 HG21 VAL 97 3HG2 VAL 97 -7.785 0.918 0.179 630 HG22 VAL 97 1HG2 VAL 97 -6.035 0.717 0.104 631 HG23 VAL 97 2HG2 VAL 97 -6.802 2.079 -0.720 632 H THR 98 H THR 98 -4.982 0.175 3.757 633 HA THR 98 HA THR 98 -4.211 2.488 5.366 634 HB THR 98 HB THR 98 -4.663 -0.271 6.530 635 HG1 THR 98 HG1 THR 98 -6.262 1.907 6.241 636 HG21 THR 98 3HG2 THR 98 -2.733 0.882 7.528 637 HG22 THR 98 1HG2 THR 98 -4.071 0.747 8.668 638 HG23 THR 98 2HG2 THR 98 -3.750 2.282 7.863 639 H ILE 99 H ILE 99 -2.029 2.705 5.593 640 HA ILE 99 HA ILE 99 -0.362 0.465 4.674 641 HB ILE 99 HB ILE 99 1.176 2.407 3.785 642 HG12 ILE 99 1HG1 ILE 99 -0.582 4.137 4.491 643 HG13 ILE 99 2HG1 ILE 99 0.125 4.294 2.889 644 HG21 ILE 99 1HG2 ILE 99 -1.153 1.257 2.263 645 HG22 ILE 99 2HG2 ILE 99 0.444 0.535 2.463 646 HG23 ILE 99 3HG2 ILE 99 0.258 2.020 1.530 647 HD11 ILE 99 3HD1 ILE 99 -1.881 3.210 1.942 648 HD12 ILE 99 1HD1 ILE 99 -2.231 4.721 2.783 649 HD13 ILE 99 2HD1 ILE 99 -2.585 3.181 3.559 650 H HIS 100 H HIS 100 1.499 0.126 5.725 651 HA HIS 100 HA HIS 100 2.337 2.106 7.750 652 HB2 HIS 100 1HB HIS 100 2.585 -0.908 7.758 653 HB3 HIS 100 2HB HIS 100 3.502 0.122 8.845 654 HD1 HIS 100 HD1 HIS 100 1.998 -1.635 10.450 655 HD2 HIS 100 HD2 HIS 100 0.107 1.652 8.745 656 HE1 HIS 100 HE1 HIS 100 -0.077 -1.260 11.822 657 HE2 HIS 100 HE2 HIS 100 -1.236 0.696 10.739 658 H TYR 101 H TYR 101 4.248 3.057 7.308 659 HA TYR 101 HA TYR 101 6.191 1.585 5.691 660 HB2 TYR 101 1HB TYR 101 6.575 3.625 4.291 661 HB3 TYR 101 2HB TYR 101 5.016 2.854 4.039 662 HD1 TYR 101 HD1 TYR 101 2.949 3.947 4.817 663 HD2 TYR 101 HD2 TYR 101 6.736 5.844 5.211 664 HE1 TYR 101 HE1 TYR 101 1.827 6.103 5.191 665 HE2 TYR 101 HE2 TYR 101 5.623 8.000 5.589 666 HH TYR 101 HH TYR 101 3.440 9.063 5.052 667 H ASN 102 H ASN 102 8.334 2.479 5.727 668 HA ASN 102 HA ASN 102 8.933 4.326 7.920 669 HB2 ASN 102 1HB ASN 102 10.030 1.514 7.650 670 HB3 ASN 102 2HB ASN 102 10.798 2.746 8.648 671 HD21 ASN 102 2HD2 ASN 102 9.830 3.376 10.562 672 HD22 ASN 102 1HD2 ASN 102 8.530 2.486 11.269 673 H LYS 103 H LYS 103 11.611 4.480 7.828 674 HA LYS 103 HA LYS 103 12.078 5.160 5.007 675 HB2 LYS 103 1HB LYS 103 12.762 6.486 7.570 676 HB3 LYS 103 2HB LYS 103 13.975 6.568 6.302 677 HG2 LYS 103 1HG LYS 103 12.424 8.511 6.393 678 HG3 LYS 103 2HG LYS 103 12.487 7.695 4.832 679 HD2 LYS 103 1HD LYS 103 10.434 6.611 6.586 680 HD3 LYS 103 2HD LYS 103 10.210 8.327 6.256 681 HE2 LYS 103 1HE LYS 103 10.316 7.895 3.860 682 HE3 LYS 103 2HE LYS 103 10.601 6.187 4.166 683 HZ1 LYS 103 3HZ LYS 103 8.432 6.023 5.156 684 HZ2 LYS 103 1HZ LYS 103 8.298 6.647 3.590 685 HZ3 LYS 103 2HZ LYS 103 8.155 7.675 4.933 686 H LEU 104 H LEU 104 14.308 5.089 4.290 687 HA LEU 104 HA LEU 104 16.280 4.164 3.879 688 HB2 LEU 104 1HB LEU 104 17.807 3.778 5.782 689 HB3 LEU 104 2HB LEU 104 17.056 5.358 5.732 690 HG LEU 104 HG LEU 104 15.345 4.196 7.395 691 HD11 LEU 104 1HD1 LEU 104 16.487 2.699 8.928 692 HD12 LEU 104 2HD1 LEU 104 17.902 2.692 7.873 693 HD13 LEU 104 3HD1 LEU 104 16.372 2.018 7.306 694 HD21 LEU 104 3HD2 LEU 104 16.593 6.209 7.869 695 HD22 LEU 104 1HD2 LEU 104 18.045 5.262 8.190 696 HD23 LEU 104 2HD2 LEU 104 16.643 5.114 9.248 697 H GLN 105 H GLN 105 16.468 2.433 2.826 698 HA GLN 105 HA GLN 105 16.826 -0.067 4.259 699 HB2 GLN 105 1HB GLN 105 14.403 0.360 3.016 700 HB3 GLN 105 2HB GLN 105 15.330 -0.431 1.750 701 HG2 GLN 105 1HG GLN 105 14.852 -1.505 4.520 702 HG3 GLN 105 2HG GLN 105 14.042 -2.032 3.050 703 HE21 GLN 105 2HE2 GLN 105 17.004 -2.052 4.865 704 HE22 GLN 105 1HE2 GLN 105 17.774 -3.327 3.983 705 H ALA 106 H ALA 106 18.529 1.874 3.045 706 HA ALA 106 HA ALA 106 19.244 0.685 0.475 707 HB1 ALA 106 3HB ALA 106 20.124 3.313 1.639 708 HB2 ALA 106 1HB ALA 106 18.823 3.085 0.469 709 HB3 ALA 106 2HB ALA 106 20.487 2.702 0.020 710 H ASP 107 H ASP 107 21.238 0.157 -0.051 711 HA ASP 107 HA ASP 107 23.464 0.180 1.779 712 HB2 ASP 107 1HB ASP 107 22.141 -2.368 0.793 713 HB3 ASP 107 2HB ASP 107 23.821 -2.332 1.306 714 HA PRO 108 HA PRO 108 26.023 0.669 -1.880 715 HB2 PRO 108 1HB PRO 108 26.393 -2.310 -1.795 716 HB3 PRO 108 2HB PRO 108 27.559 -1.061 -2.227 717 HG2 PRO 108 1HG PRO 108 27.514 -2.126 0.229 718 HG3 PRO 108 2HG PRO 108 27.887 -0.413 -0.029 719 HD2 PRO 108 1HD PRO 108 25.522 -1.630 1.200 720 HD3 PRO 108 2HD PRO 108 26.070 0.054 1.257 721 H LYS 109 H LYS 109 24.153 -2.350 -2.029 722 HA LYS 109 HA LYS 109 23.747 -2.288 -4.838 723 HB2 LYS 109 1HB LYS 109 22.061 -4.044 -4.410 724 HB3 LYS 109 2HB LYS 109 23.603 -4.383 -3.641 725 HG2 LYS 109 1HG LYS 109 22.710 -3.711 -1.497 726 HG3 LYS 109 2HG LYS 109 21.190 -3.215 -2.248 727 HD2 LYS 109 1HD LYS 109 20.924 -5.389 -1.208 728 HD3 LYS 109 2HD LYS 109 20.827 -5.557 -2.962 729 HE2 LYS 109 1HE LYS 109 23.199 -6.257 -2.987 730 HE3 LYS 109 2HE LYS 109 23.219 -6.169 -1.227 731 HZ1 LYS 109 3HZ LYS 109 21.507 -7.875 -1.164 732 HZ2 LYS 109 1HZ LYS 109 22.872 -8.426 -1.995 733 HZ3 LYS 109 2HZ LYS 109 21.496 -7.957 -2.850 734 H GLN 110 H GLN 110 21.660 -1.380 -2.139 735 HA GLN 110 HA GLN 110 19.471 -0.714 -3.891 736 HB2 GLN 110 1HB GLN 110 19.900 -0.797 -0.939 737 HB3 GLN 110 2HB GLN 110 18.478 -0.033 -1.608 738 HG2 GLN 110 1HG GLN 110 19.315 -2.873 -2.013 739 HG3 GLN 110 2HG GLN 110 18.033 -2.304 -0.954 740 HE21 GLN 110 2HE2 GLN 110 17.072 -0.289 -2.782 741 HE22 GLN 110 1HE2 GLN 110 16.261 -1.125 -4.057 742 H LEU 111 H LEU 111 22.167 0.775 -2.691 743 HA LEU 111 HA LEU 111 21.203 3.388 -2.184 744 HB2 LEU 111 1HB LEU 111 23.254 2.479 -1.221 745 HB3 LEU 111 2HB LEU 111 23.946 2.297 -2.816 746 HG LEU 111 HG LEU 111 24.777 4.237 -1.390 747 HD11 LEU 111 1HD1 LEU 111 25.213 4.073 -3.787 748 HD12 LEU 111 2HD1 LEU 111 24.966 5.744 -3.285 749 HD13 LEU 111 3HD1 LEU 111 23.679 4.876 -4.121 750 HD21 LEU 111 3HD2 LEU 111 23.438 6.241 -1.332 751 HD22 LEU 111 1HD2 LEU 111 22.552 4.914 -0.579 752 HD23 LEU 111 2HD2 LEU 111 22.139 5.436 -2.214 753 H GLU 112 H GLU 112 22.721 1.790 -4.964 754 HA GLU 112 HA GLU 112 22.547 4.091 -6.655 755 HB2 GLU 112 1HB GLU 112 22.991 2.421 -8.483 756 HB3 GLU 112 2HB GLU 112 24.187 2.435 -7.190 757 HG2 GLU 112 1HG GLU 112 23.352 0.455 -6.255 758 HG3 GLU 112 2HG GLU 112 21.877 0.538 -7.217 759 H VAL 113 H VAL 113 20.470 1.371 -5.913 760 HA VAL 113 HA VAL 113 18.552 1.735 -7.942 761 HB VAL 113 HB VAL 113 18.146 0.678 -5.136 762 HG11 VAL 113 1HG1 VAL 113 16.170 -0.447 -6.041 763 HG12 VAL 113 2HG1 VAL 113 16.428 0.348 -7.593 764 HG13 VAL 113 3HG1 VAL 113 16.029 1.307 -6.169 765 HG21 VAL 113 3HG2 VAL 113 19.835 -0.572 -6.367 766 HG22 VAL 113 1HG2 VAL 113 18.715 -0.777 -7.714 767 HG23 VAL 113 2HG2 VAL 113 18.371 -1.532 -6.159 768 H LEU 114 H LEU 114 19.012 3.198 -4.796 769 HA LEU 114 HA LEU 114 16.626 4.788 -4.889 770 HB2 LEU 114 1HB LEU 114 17.797 4.060 -2.801 771 HB3 LEU 114 2HB LEU 114 19.100 5.155 -3.201 772 HG LEU 114 HG LEU 114 17.495 7.051 -3.076 773 HD11 LEU 114 1HD1 LEU 114 15.612 4.937 -2.042 774 HD12 LEU 114 2HD1 LEU 114 15.432 5.868 -3.529 775 HD13 LEU 114 3HD1 LEU 114 15.336 6.677 -1.965 776 HD21 LEU 114 3HD2 LEU 114 18.918 6.506 -1.185 777 HD22 LEU 114 1HD2 LEU 114 17.727 5.344 -0.603 778 HD23 LEU 114 2HD2 LEU 114 17.339 7.064 -0.631 779 H PHE 115 H PHE 115 19.896 5.049 -5.980 780 HA PHE 115 HA PHE 115 20.212 7.831 -6.094 781 HB2 PHE 115 1HB PHE 115 22.053 6.229 -6.435 782 HB3 PHE 115 2HB PHE 115 21.352 5.752 -7.974 783 HD1 PHE 115 HD1 PHE 115 22.656 8.734 -6.176 784 HD2 PHE 115 HD2 PHE 115 22.019 6.815 -9.918 785 HE1 PHE 115 HE1 PHE 115 23.929 10.512 -7.301 786 HE2 PHE 115 HE2 PHE 115 23.292 8.588 -11.050 787 HZ PHE 115 HZ PHE 115 24.249 10.441 -9.742 788 H GLN 116 H GLN 116 18.796 5.608 -8.440 789 HA GLN 116 HA GLN 116 17.426 7.887 -9.651 790 HB2 GLN 116 1HB GLN 116 19.437 7.424 -11.038 791 HB3 GLN 116 2HB GLN 116 18.861 5.782 -11.284 792 HG2 GLN 116 1HG GLN 116 16.863 6.663 -12.398 793 HG3 GLN 116 2HG GLN 116 17.479 8.301 -12.178 794 HE21 GLN 116 2HE2 GLN 116 17.800 5.326 -13.927 795 HE22 GLN 116 1HE2 GLN 116 18.896 5.913 -15.131 796 H GLY 117 H GLY 117 17.804 4.418 -10.349 797 HA2 GLY 117 1HA GLY 117 15.833 3.187 -9.127 798 HA3 GLY 117 2HA GLY 117 14.904 4.101 -10.310 799 HA PRO 118 HA PRO 118 17.724 1.737 -13.361 800 HB2 PRO 118 1HB PRO 118 19.516 -0.006 -12.226 801 HB3 PRO 118 2HB PRO 118 19.918 1.604 -12.784 802 HG2 PRO 118 1HG PRO 118 19.229 0.644 -10.033 803 HG3 PRO 118 2HG PRO 118 20.535 1.740 -10.543 804 HD2 PRO 118 1HD PRO 118 18.344 2.763 -9.515 805 HD3 PRO 118 2HD PRO 118 19.048 3.483 -10.977 806 H GLN 119 H GLN 119 16.211 0.379 -14.123 807 HA GLN 119 HA GLN 119 15.202 -1.763 -12.441 808 HB2 GLN 119 1HB GLN 119 14.363 -0.781 -15.171 809 HB3 GLN 119 2HB GLN 119 13.607 -2.134 -14.341 810 HG2 GLN 119 1HG GLN 119 13.658 0.741 -13.454 811 HG3 GLN 119 2HG GLN 119 12.267 -0.175 -14.031 812 HE21 GLN 119 2HE2 GLN 119 14.343 0.498 -11.367 813 HE22 GLN 119 1HE2 GLN 119 13.459 -0.401 -10.181 814 H PHE 120 H PHE 120 17.590 -2.530 -12.686 815 HA PHE 120 HA PHE 120 18.149 -4.026 -15.076 816 HB2 PHE 120 1HB PHE 120 20.082 -4.919 -13.784 817 HB3 PHE 120 2HB PHE 120 20.022 -3.162 -13.808 818 HD1 PHE 120 HD2 PHE 120 19.413 -1.919 -11.788 819 HD2 PHE 120 HD1 PHE 120 19.836 -6.149 -11.750 820 HE1 PHE 120 HE2 PHE 120 19.543 -1.877 -9.335 821 HE2 PHE 120 HE1 PHE 120 19.967 -6.116 -9.295 822 HZ PHE 120 HZ PHE 120 19.819 -3.979 -8.083 823 H THR 121 H THR 121 16.539 -4.572 -12.086 824 HA THR 121 HA THR 121 16.274 -7.429 -12.638 825 HB THR 121 HB THR 121 14.934 -7.298 -10.418 826 HG1 THR 121 HG1 THR 121 14.728 -5.095 -10.178 827 HG21 THR 121 3HG2 THR 121 17.134 -8.343 -10.605 828 HG22 THR 121 1HG2 THR 121 16.997 -7.441 -9.096 829 HG23 THR 121 2HG2 THR 121 17.907 -6.766 -10.448 830 H LEU 122 H LEU 122 14.466 -8.251 -13.516 831 HA LEU 122 HA LEU 122 12.283 -6.385 -14.088 832 HB2 LEU 122 1HB LEU 122 13.258 -7.505 -16.014 833 HB3 LEU 122 2HB LEU 122 12.952 -9.070 -15.291 834 HG LEU 122 HG LEU 122 10.527 -8.664 -15.462 835 HD11 LEU 122 1HD1 LEU 122 9.718 -6.789 -16.814 836 HD12 LEU 122 2HD1 LEU 122 11.357 -6.145 -16.889 837 HD13 LEU 122 3HD1 LEU 122 10.519 -6.244 -15.341 838 HD21 LEU 122 3HD2 LEU 122 11.670 -9.866 -17.232 839 HD22 LEU 122 1HD2 LEU 122 12.058 -8.346 -18.036 840 HD23 LEU 122 2HD2 LEU 122 10.380 -8.867 -17.901 841 H ARG 123 H ARG 123 12.042 -9.909 -13.861 842 HA ARG 123 HA ARG 123 10.682 -11.278 -12.651 843 HB2 ARG 123 1HB ARG 123 12.055 -10.157 -10.803 844 HB3 ARG 123 2HB ARG 123 10.659 -9.125 -10.531 845 HG2 ARG 123 1HG ARG 123 9.305 -11.105 -10.037 846 HG3 ARG 123 2HG ARG 123 10.721 -12.124 -10.286 847 HD2 ARG 123 1HD ARG 123 11.856 -10.920 -8.451 848 HD3 ARG 123 2HD ARG 123 10.379 -9.994 -8.180 849 HE ARG 123 HE ARG 123 10.227 -12.910 -8.048 850 HH11 ARG 123 1HH1 ARG 123 10.262 -9.843 -6.361 851 HH12 ARG 123 2HH1 ARG 123 9.607 -10.498 -4.894 852 HH21 ARG 123 1HH2 ARG 123 9.374 -13.778 -6.129 853 HH22 ARG 123 2HH2 ARG 123 9.104 -12.745 -4.761 854 H HIS 124 H HIS 124 8.441 -11.239 -11.376 855 HA HIS 124 HA HIS 124 6.665 -9.358 -12.748 856 HB2 HIS 124 1HB HIS 124 6.203 -11.815 -12.912 857 HB3 HIS 124 2HB HIS 124 5.929 -11.834 -11.175 858 HD1 HIS 124 HD1 HIS 124 4.460 -10.455 -14.358 859 HD2 HIS 124 HD2 HIS 124 3.412 -11.033 -10.377 860 HE1 HIS 124 HE1 HIS 124 1.997 -9.963 -14.231 861 HE2 HIS 124 HE2 HIS 124 1.361 -10.438 -11.841 862 H TRP 125 H TRP 125 6.315 -7.555 -11.646 863 HA TRP 125 HA TRP 125 6.594 -7.447 -8.775 864 HB2 TRP 125 1HB TRP 125 5.710 -5.306 -10.721 865 HB3 TRP 125 2HB TRP 125 6.132 -5.048 -9.035 866 HD1 TRP 125 HD1 TRP 125 7.559 -4.625 -12.309 867 HE1 TRP 125 HE1 TRP 125 10.126 -4.525 -12.229 868 HE3 TRP 125 HE3 TRP 125 8.301 -6.495 -7.612 869 HZ2 TRP 125 HZ2 TRP 125 12.196 -5.152 -10.417 870 HZ3 TRP 125 HZ3 TRP 125 10.605 -6.713 -6.781 871 HH2 TRP 125 HH2 TRP 125 12.511 -6.056 -8.156 872 H LEU 126 H LEU 126 4.856 -5.971 -7.662 873 HA LEU 126 HA LEU 126 2.232 -7.152 -8.134 874 HB2 LEU 126 1HB LEU 126 3.582 -6.043 -5.841 875 HB3 LEU 126 2HB LEU 126 2.017 -5.290 -6.070 876 HG LEU 126 HG LEU 126 2.665 -8.117 -5.534 877 HD11 LEU 126 1HD1 LEU 126 0.792 -7.726 -3.838 878 HD12 LEU 126 2HD1 LEU 126 1.046 -6.016 -4.185 879 HD13 LEU 126 3HD1 LEU 126 2.363 -6.994 -3.536 880 HD21 LEU 126 3HD2 LEU 126 1.104 -8.317 -7.320 881 HD22 LEU 126 1HD2 LEU 126 0.075 -7.070 -6.615 882 HD23 LEU 126 2HD2 LEU 126 0.241 -8.632 -5.820 883 H LYS 127 H LYS 127 0.398 -5.707 -7.800 884 HA LYS 127 HA LYS 127 0.711 -2.945 -8.473 885 HB2 LYS 127 1HB LYS 127 -0.704 -3.043 -10.524 886 HB3 LYS 127 2HB LYS 127 0.886 -3.759 -10.719 887 HG2 LYS 127 1HG LYS 127 -0.097 -5.989 -10.483 888 HG3 LYS 127 2HG LYS 127 -1.691 -5.260 -10.296 889 HD2 LYS 127 1HD LYS 127 0.090 -5.085 -12.727 890 HD3 LYS 127 2HD LYS 127 -1.384 -6.042 -12.575 891 HE2 LYS 127 1HE LYS 127 -1.191 -3.031 -12.469 892 HE3 LYS 127 2HE LYS 127 -1.792 -3.986 -13.821 893 HZ1 LYS 127 3HZ LYS 127 -3.582 -3.065 -12.471 894 HZ2 LYS 127 1HZ LYS 127 -3.017 -3.908 -11.118 895 HZ3 LYS 127 2HZ LYS 127 -3.607 -4.755 -12.455 896 H VAL 128 H VAL 128 -0.316 -2.869 -6.404 897 HA VAL 128 HA VAL 128 -3.192 -3.227 -6.685 898 HB VAL 128 HB VAL 128 -2.237 -4.912 -5.118 899 HG11 VAL 128 1HG1 VAL 128 -1.699 -4.284 -2.858 900 HG12 VAL 128 2HG1 VAL 128 -1.833 -2.575 -3.293 901 HG13 VAL 128 3HG1 VAL 128 -0.561 -3.573 -4.004 902 HG21 VAL 128 3HG2 VAL 128 -4.040 -4.600 -3.484 903 HG22 VAL 128 1HG2 VAL 128 -4.550 -4.415 -5.161 904 HG23 VAL 128 2HG2 VAL 128 -4.308 -2.991 -4.153 Start of MODEL 8 1 H1 GLY 13 1H GLY 13 4.806 2.565 17.326 2 H2 GLY 13 2H GLY 13 3.405 1.784 17.858 3 H3 GLY 13 3H GLY 13 3.296 3.033 16.728 4 HA2 GLY 13 1HA GLY 13 3.014 0.901 15.647 5 HA3 GLY 13 2HA GLY 13 4.472 1.713 15.093 6 H SER 14 H SER 14 5.477 -0.197 14.476 7 HA SER 14 HA SER 14 5.892 -2.341 16.322 8 HB2 SER 14 1HB SER 14 5.863 -2.684 13.866 9 HB3 SER 14 2HB SER 14 7.329 -1.716 13.729 10 HG SER 14 HG SER 14 6.976 -4.308 14.678 11 HA PRO 15 HA PRO 15 9.177 -0.176 18.462 12 HB2 PRO 15 1HB PRO 15 9.773 -2.194 20.193 13 HB3 PRO 15 2HB PRO 15 8.398 -1.107 20.409 14 HG2 PRO 15 1HG PRO 15 8.466 -3.884 19.310 15 HG3 PRO 15 2HG PRO 15 7.278 -3.135 20.392 16 HD2 PRO 15 1HD PRO 15 6.855 -3.464 17.730 17 HD3 PRO 15 2HD PRO 15 6.154 -2.124 18.659 18 H GLY 16 H GLY 16 10.774 -0.044 16.913 19 HA2 GLY 16 1HA GLY 16 13.133 -1.262 17.070 20 HA3 GLY 16 2HA GLY 16 12.219 -2.455 16.163 21 H ILE 17 H ILE 17 10.665 -0.203 14.910 22 HA ILE 17 HA ILE 17 12.565 0.237 12.752 23 HB ILE 17 HB ILE 17 10.665 0.976 11.434 24 HG12 ILE 17 1HG1 ILE 17 9.239 0.859 14.081 25 HG13 ILE 17 2HG1 ILE 17 9.316 2.174 12.914 26 HG21 ILE 17 1HG2 ILE 17 11.114 -1.405 11.577 27 HG22 ILE 17 2HG2 ILE 17 9.382 -1.109 11.420 28 HG23 ILE 17 3HG2 ILE 17 10.066 -1.536 12.989 29 HD11 ILE 17 3HD1 ILE 17 7.877 -0.409 12.408 30 HD12 ILE 17 1HD1 ILE 17 7.814 1.067 11.447 31 HD13 ILE 17 2HD1 ILE 17 7.111 1.037 13.065 32 HA PRO 18 HA PRO 18 13.533 4.261 13.967 33 HB2 PRO 18 1HB PRO 18 14.193 5.446 11.615 34 HB3 PRO 18 2HB PRO 18 15.172 4.197 12.380 35 HG2 PRO 18 1HG PRO 18 13.367 4.007 10.036 36 HG3 PRO 18 2HG PRO 18 14.844 3.105 10.407 37 HD2 PRO 18 1HD PRO 18 12.236 2.196 10.732 38 HD3 PRO 18 2HD PRO 18 13.676 1.466 11.433 39 H VAL 19 H VAL 19 12.110 5.103 10.859 40 HA VAL 19 HA VAL 19 10.289 6.933 12.193 41 HB VAL 19 HB VAL 19 10.252 7.660 9.573 42 HG11 VAL 19 1HG1 VAL 19 11.674 9.543 10.270 43 HG12 VAL 19 2HG1 VAL 19 12.115 8.648 11.725 44 HG13 VAL 19 3HG1 VAL 19 10.446 9.164 11.478 45 HG21 VAL 19 3HG2 VAL 19 12.033 6.117 8.993 46 HG22 VAL 19 1HG2 VAL 19 13.066 6.834 10.226 47 HG23 VAL 19 2HG2 VAL 19 12.581 7.784 8.822 48 HA PRO 20 HA PRO 20 7.374 3.990 10.342 49 HB2 PRO 20 1HB PRO 20 5.634 4.036 12.409 50 HB3 PRO 20 2HB PRO 20 7.031 2.967 12.340 51 HG2 PRO 20 1HG PRO 20 6.589 5.401 13.952 52 HG3 PRO 20 2HG PRO 20 7.637 4.012 14.278 53 HD2 PRO 20 1HD PRO 20 8.420 6.536 13.270 54 HD3 PRO 20 2HD PRO 20 9.418 5.081 13.397 55 H GLY 21 H GLY 21 5.923 4.681 8.994 56 HA2 GLY 21 1HA GLY 21 4.172 6.919 9.773 57 HA3 GLY 21 2HA GLY 21 4.958 6.919 8.198 58 H LYS 22 H LYS 22 2.105 6.898 8.789 59 HA LYS 22 HA LYS 22 1.395 4.816 6.963 60 HB2 LYS 22 1HB LYS 22 -0.016 3.493 8.301 61 HB3 LYS 22 2HB LYS 22 1.447 3.675 9.252 62 HG2 LYS 22 1HG LYS 22 -0.981 5.393 9.669 63 HG3 LYS 22 2HG LYS 22 -0.748 3.848 10.482 64 HD2 LYS 22 1HD LYS 22 1.316 4.679 11.485 65 HD3 LYS 22 2HD LYS 22 1.110 6.218 10.644 66 HE2 LYS 22 1HE LYS 22 0.362 6.344 12.981 67 HE3 LYS 22 2HE LYS 22 -0.957 6.630 11.847 68 HZ1 LYS 22 3HZ LYS 22 -1.707 4.368 12.180 69 HZ2 LYS 22 1HZ LYS 22 -1.614 5.168 13.666 70 HZ3 LYS 22 2HZ LYS 22 -0.421 4.057 13.229 71 H VAL 23 H VAL 23 -0.413 5.367 5.819 72 HA VAL 23 HA VAL 23 -2.040 7.545 6.937 73 HB VAL 23 HB VAL 23 -2.275 8.570 4.734 74 HG11 VAL 23 1HG1 VAL 23 -0.029 9.497 4.505 75 HG12 VAL 23 2HG1 VAL 23 0.611 8.186 5.497 76 HG13 VAL 23 3HG1 VAL 23 -0.497 9.364 6.202 77 HG21 VAL 23 3HG2 VAL 23 -0.304 6.486 3.812 78 HG22 VAL 23 1HG2 VAL 23 -0.810 7.890 2.869 79 HG23 VAL 23 2HG2 VAL 23 -1.985 6.649 3.305 80 H THR 24 H THR 24 -4.247 7.581 6.193 81 HA THR 24 HA THR 24 -5.092 4.941 5.221 82 HB THR 24 HB THR 24 -5.667 5.165 7.574 83 HG1 THR 24 HG1 THR 24 -7.144 4.067 6.194 84 HG21 THR 24 3HG2 THR 24 -7.271 6.849 8.348 85 HG22 THR 24 1HG2 THR 24 -7.252 7.602 6.753 86 HG23 THR 24 2HG2 THR 24 -5.793 7.598 7.744 87 H LEU 25 H LEU 25 -6.108 4.938 3.403 88 HA LEU 25 HA LEU 25 -7.716 7.254 2.587 89 HB2 LEU 25 1HB LEU 25 -5.756 5.687 0.902 90 HB3 LEU 25 2HB LEU 25 -7.010 6.685 0.206 91 HG LEU 25 HG LEU 25 -5.098 8.003 0.091 92 HD11 LEU 25 1HD1 LEU 25 -6.984 9.230 0.996 93 HD12 LEU 25 2HD1 LEU 25 -5.461 9.850 1.633 94 HD13 LEU 25 3HD1 LEU 25 -6.479 8.820 2.637 95 HD21 LEU 25 3HD2 LEU 25 -3.610 6.689 1.447 96 HD22 LEU 25 1HD2 LEU 25 -4.465 7.169 2.914 97 HD23 LEU 25 2HD2 LEU 25 -3.563 8.367 1.989 98 H GLN 26 H GLN 26 -8.701 6.157 0.235 99 HA GLN 26 HA GLN 26 -9.779 3.549 1.024 100 HB2 GLN 26 1HB GLN 26 -11.350 5.950 0.097 101 HB3 GLN 26 2HB GLN 26 -11.985 4.308 0.026 102 HG2 GLN 26 1HG GLN 26 -11.639 4.091 2.439 103 HG3 GLN 26 2HG GLN 26 -11.069 5.748 2.485 104 HE21 GLN 26 2HE2 GLN 26 -13.769 3.652 2.172 105 HE22 GLN 26 1HE2 GLN 26 -15.007 4.859 2.309 106 H LYS 27 H LYS 27 -10.174 2.206 -0.505 107 HA LYS 27 HA LYS 27 -8.588 1.898 -2.680 108 HB2 LYS 27 1HB LYS 27 -11.438 0.924 -2.616 109 HB3 LYS 27 2HB LYS 27 -10.092 0.205 -3.479 110 HG2 LYS 27 1HG LYS 27 -9.977 0.471 -0.515 111 HG3 LYS 27 2HG LYS 27 -10.888 -0.840 -1.261 112 HD2 LYS 27 1HD LYS 27 -8.195 -0.377 -2.312 113 HD3 LYS 27 2HD LYS 27 -8.280 -0.997 -0.677 114 HE2 LYS 27 1HE LYS 27 -9.569 -2.206 -3.105 115 HE3 LYS 27 2HE LYS 27 -8.120 -2.800 -2.296 116 HZ1 LYS 27 3HZ LYS 27 -9.467 -3.150 -0.294 117 HZ2 LYS 27 1HZ LYS 27 -10.021 -4.069 -1.605 118 HZ3 LYS 27 2HZ LYS 27 -10.846 -2.672 -1.146 119 H ASP 28 H ASP 28 -8.691 2.153 -4.829 120 HA ASP 28 HA ASP 28 -10.147 4.459 -5.801 121 HB2 ASP 28 1HB ASP 28 -7.783 4.281 -6.332 122 HB3 ASP 28 2HB ASP 28 -8.019 2.684 -7.027 123 H ALA 29 H ALA 29 -10.903 4.133 -8.262 124 HA ALA 29 HA ALA 29 -13.132 2.453 -8.271 125 HB1 ALA 29 3HB ALA 29 -13.311 2.965 -10.638 126 HB2 ALA 29 1HB ALA 29 -11.648 3.554 -10.652 127 HB3 ALA 29 2HB ALA 29 -12.879 4.411 -9.725 128 H GLN 30 H GLN 30 -9.820 1.746 -8.935 129 HA GLN 30 HA GLN 30 -10.443 -0.733 -10.332 130 HB2 GLN 30 1HB GLN 30 -8.470 0.936 -10.785 131 HB3 GLN 30 2HB GLN 30 -7.733 0.005 -9.503 132 HG2 GLN 30 1HG GLN 30 -7.998 -2.040 -10.742 133 HG3 GLN 30 2HG GLN 30 -8.851 -1.179 -12.019 134 HE21 GLN 30 2HE2 GLN 30 -6.021 0.068 -10.378 135 HE22 GLN 30 1HE2 GLN 30 -4.964 -0.033 -11.733 136 H ASN 31 H ASN 31 -10.817 0.062 -7.393 137 HA ASN 31 HA ASN 31 -10.841 -0.858 -5.374 138 HB2 ASN 31 1HB ASN 31 -11.540 -3.044 -5.226 139 HB3 ASN 31 2HB ASN 31 -12.021 -2.578 -6.830 140 HD21 ASN 31 2HD2 ASN 31 -10.079 -4.666 -4.942 141 HD22 ASN 31 1HD2 ASN 31 -9.498 -5.648 -6.231 142 H LEU 32 H LEU 32 -8.347 -0.042 -6.345 143 HA LEU 32 HA LEU 32 -6.769 -1.483 -4.354 144 HB2 LEU 32 1HB LEU 32 -4.757 -1.227 -5.885 145 HB3 LEU 32 2HB LEU 32 -5.921 -2.464 -6.278 146 HG LEU 32 HG LEU 32 -6.868 -1.042 -8.052 147 HD11 LEU 32 1HD1 LEU 32 -5.664 0.935 -8.808 148 HD12 LEU 32 2HD1 LEU 32 -4.568 0.803 -7.434 149 HD13 LEU 32 3HD1 LEU 32 -6.275 1.155 -7.169 150 HD21 LEU 32 3HD2 LEU 32 -4.984 -1.280 -9.595 151 HD22 LEU 32 1HD2 LEU 32 -5.180 -2.702 -8.572 152 HD23 LEU 32 2HD2 LEU 32 -3.903 -1.536 -8.226 153 H ILE 33 H ILE 33 -4.407 -0.112 -4.454 154 HA ILE 33 HA ILE 33 -5.335 2.525 -3.580 155 HB ILE 33 HB ILE 33 -2.557 2.112 -3.055 156 HG12 ILE 33 1HG1 ILE 33 -4.364 -0.090 -2.012 157 HG13 ILE 33 2HG1 ILE 33 -3.104 -0.299 -3.222 158 HG21 ILE 33 1HG2 ILE 33 -3.362 2.405 -0.722 159 HG22 ILE 33 2HG2 ILE 33 -5.016 2.321 -1.334 160 HG23 ILE 33 3HG2 ILE 33 -3.955 3.635 -1.840 161 HD11 ILE 33 3HD1 ILE 33 -2.681 0.580 -0.366 162 HD12 ILE 33 1HD1 ILE 33 -1.420 0.340 -1.574 163 HD13 ILE 33 2HD1 ILE 33 -2.377 -1.030 -1.015 164 H GLY 34 H GLY 34 -3.254 0.950 -5.898 165 HA2 GLY 34 1HA GLY 34 -2.748 2.039 -7.978 166 HA3 GLY 34 2HA GLY 34 -2.810 3.592 -7.151 167 H ILE 35 H ILE 35 -1.130 0.698 -6.058 168 HA ILE 35 HA ILE 35 1.446 2.052 -6.565 169 HB ILE 35 HB ILE 35 2.288 0.946 -4.473 170 HG12 ILE 35 1HG1 ILE 35 0.128 0.704 -2.847 171 HG13 ILE 35 2HG1 ILE 35 -0.544 0.118 -4.365 172 HG21 ILE 35 1HG2 ILE 35 0.151 3.043 -4.257 173 HG22 ILE 35 2HG2 ILE 35 1.890 3.285 -4.451 174 HG23 ILE 35 3HG2 ILE 35 1.253 2.621 -2.946 175 HD11 ILE 35 3HD1 ILE 35 1.169 -1.557 -4.521 176 HD12 ILE 35 1HD1 ILE 35 0.324 -1.674 -2.978 177 HD13 ILE 35 2HD1 ILE 35 1.932 -0.949 -3.049 178 H SER 36 H SER 36 3.282 0.416 -6.304 179 HA SER 36 HA SER 36 2.475 -2.224 -7.263 180 HB2 SER 36 1HB SER 36 4.464 -0.362 -8.542 181 HB3 SER 36 2HB SER 36 4.456 -2.100 -8.857 182 HG SER 36 HG SER 36 2.033 -1.568 -9.151 183 H ILE 37 H ILE 37 3.522 -3.870 -6.396 184 HA ILE 37 HA ILE 37 5.640 -3.153 -4.464 185 HB ILE 37 HB ILE 37 3.504 -5.259 -4.219 186 HG12 ILE 37 1HG1 ILE 37 2.760 -2.994 -3.694 187 HG13 ILE 37 2HG1 ILE 37 2.818 -3.985 -2.241 188 HG21 ILE 37 1HG2 ILE 37 5.813 -4.710 -2.363 189 HG22 ILE 37 2HG2 ILE 37 5.587 -6.154 -3.351 190 HG23 ILE 37 3HG2 ILE 37 4.468 -5.803 -2.033 191 HD11 ILE 37 3HD1 ILE 37 4.985 -2.950 -1.674 192 HD12 ILE 37 1HD1 ILE 37 3.660 -1.791 -1.761 193 HD13 ILE 37 2HD1 ILE 37 4.819 -1.904 -3.083 194 H GLY 38 H GLY 38 7.485 -4.106 -4.578 195 HA2 GLY 38 1HA GLY 38 7.796 -6.655 -5.987 196 HA3 GLY 38 2HA GLY 38 8.793 -5.282 -6.464 197 H GLY 39 H GLY 39 10.106 -7.489 -5.627 198 HA2 GLY 39 1HA GLY 39 10.442 -7.589 -2.789 199 HA3 GLY 39 2HA GLY 39 11.414 -8.434 -3.981 200 H GLY 40 H GLY 40 12.069 -6.787 -1.510 201 HA2 GLY 40 1HA GLY 40 13.500 -4.493 -2.289 202 HA3 GLY 40 2HA GLY 40 13.857 -5.484 -0.876 203 H ALA 41 H ALA 41 14.652 -7.788 -1.674 204 HA ALA 41 HA ALA 41 16.424 -7.420 -4.008 205 HB1 ALA 41 3HB ALA 41 17.045 -9.249 -1.700 206 HB2 ALA 41 1HB ALA 41 17.693 -7.616 -1.855 207 HB3 ALA 41 2HB ALA 41 18.084 -8.838 -3.064 208 H GLN 42 H GLN 42 17.143 -10.180 -4.187 209 HA GLN 42 HA GLN 42 14.727 -11.049 -5.493 210 HB2 GLN 42 1HB GLN 42 17.459 -12.322 -5.345 211 HB3 GLN 42 2HB GLN 42 16.125 -12.923 -6.318 212 HG2 GLN 42 1HG GLN 42 17.447 -10.237 -6.617 213 HG3 GLN 42 2HG GLN 42 17.704 -11.639 -7.653 214 HE21 GLN 42 2HE2 GLN 42 15.543 -9.065 -6.790 215 HE22 GLN 42 1HE2 GLN 42 14.452 -9.268 -8.113 216 H TYR 43 H TYR 43 16.760 -12.249 -2.813 217 HA TYR 43 HA TYR 43 14.478 -13.684 -1.763 218 HB2 TYR 43 1HB TYR 43 15.631 -15.883 -1.731 219 HB3 TYR 43 2HB TYR 43 15.272 -15.315 -3.356 220 HD1 TYR 43 HD2 TYR 43 17.138 -14.390 -4.767 221 HD2 TYR 43 HD1 TYR 43 17.859 -16.324 -1.047 222 HE1 TYR 43 HE2 TYR 43 19.496 -14.698 -5.389 223 HE2 TYR 43 HE1 TYR 43 20.216 -16.634 -1.658 224 HH TYR 43 HH TYR 43 21.673 -15.011 -4.225 225 H CYS 44 H CYS 44 15.770 -11.586 -0.516 226 HA CYS 44 HA CYS 44 17.010 -13.001 1.699 227 HB2 CYS 44 1HB CYS 44 18.352 -10.963 0.029 228 HB3 CYS 44 2HB CYS 44 18.641 -10.890 1.762 229 HG CYS 44 HG CYS 44 18.933 -13.997 0.768 230 HA PRO 45 HA PRO 45 15.700 -9.176 3.856 231 HB2 PRO 45 1HB PRO 45 15.768 -6.718 2.691 232 HB3 PRO 45 2HB PRO 45 17.213 -7.566 3.250 233 HG2 PRO 45 1HG PRO 45 16.387 -6.966 0.538 234 HG3 PRO 45 2HG PRO 45 17.921 -7.639 1.107 235 HD2 PRO 45 1HD PRO 45 15.579 -9.019 -0.011 236 HD3 PRO 45 2HD PRO 45 17.247 -9.589 0.164 237 H CYS 46 H CYS 46 14.221 -6.975 3.877 238 HA CYS 46 HA CYS 46 11.594 -7.826 3.124 239 HB2 CYS 46 1HB CYS 46 12.542 -5.176 4.239 240 HB3 CYS 46 2HB CYS 46 10.872 -5.734 4.174 241 HG CYS 46 HG CYS 46 13.336 -6.577 6.311 242 H LEU 47 H LEU 47 10.259 -5.662 2.215 243 HA LEU 47 HA LEU 47 11.634 -4.922 -0.255 244 HB2 LEU 47 1HB LEU 47 9.305 -5.344 -1.348 245 HB3 LEU 47 2HB LEU 47 10.449 -6.649 -1.136 246 HG LEU 47 HG LEU 47 8.343 -6.160 0.921 247 HD11 LEU 47 1HD1 LEU 47 6.896 -7.734 -0.264 248 HD12 LEU 47 2HD1 LEU 47 8.026 -7.751 -1.616 249 HD13 LEU 47 3HD1 LEU 47 7.167 -6.269 -1.205 250 HD21 LEU 47 3HD2 LEU 47 9.982 -8.515 -0.009 251 HD22 LEU 47 1HD2 LEU 47 8.606 -8.677 1.090 252 HD23 LEU 47 2HD2 LEU 47 10.013 -7.726 1.567 253 H TYR 48 H TYR 48 9.789 -3.585 -1.573 254 HA TYR 48 HA TYR 48 9.000 -1.389 0.164 255 HB2 TYR 48 1HB TYR 48 10.440 0.223 -0.996 256 HB3 TYR 48 2HB TYR 48 11.410 -1.031 -0.232 257 HD1 TYR 48 HD1 TYR 48 12.482 -2.786 -1.634 258 HD2 TYR 48 HD2 TYR 48 10.449 0.524 -3.369 259 HE1 TYR 48 HE1 TYR 48 13.582 -3.242 -3.786 260 HE2 TYR 48 HE2 TYR 48 11.543 0.073 -5.523 261 HH TYR 48 HH TYR 48 13.529 -1.048 -6.387 262 H ILE 49 H ILE 49 8.257 0.505 -1.296 263 HA ILE 49 HA ILE 49 6.429 -0.623 -3.256 264 HB ILE 49 HB ILE 49 5.610 0.963 -1.529 265 HG12 ILE 49 1HG1 ILE 49 4.697 0.748 -3.998 266 HG13 ILE 49 2HG1 ILE 49 4.037 1.935 -2.878 267 HG21 ILE 49 1HG2 ILE 49 7.575 2.399 -1.397 268 HG22 ILE 49 2HG2 ILE 49 6.107 3.334 -1.692 269 HG23 ILE 49 3HG2 ILE 49 7.227 3.009 -3.018 270 HD11 ILE 49 3HD1 ILE 49 6.024 2.407 -5.086 271 HD12 ILE 49 1HD1 ILE 49 5.582 3.617 -3.878 272 HD13 ILE 49 2HD1 ILE 49 4.362 2.988 -4.989 273 H VAL 50 H VAL 50 6.858 -0.632 -5.351 274 HA VAL 50 HA VAL 50 9.402 0.470 -6.183 275 HB VAL 50 HB VAL 50 7.465 -1.234 -7.756 276 HG11 VAL 50 1HG1 VAL 50 10.386 -0.633 -8.214 277 HG12 VAL 50 2HG1 VAL 50 9.038 -0.026 -9.174 278 HG13 VAL 50 3HG1 VAL 50 9.403 -1.751 -9.159 279 HG21 VAL 50 3HG2 VAL 50 8.935 -3.108 -7.167 280 HG22 VAL 50 1HG2 VAL 50 8.184 -2.386 -5.744 281 HG23 VAL 50 2HG2 VAL 50 9.871 -2.037 -6.124 282 H GLN 51 H GLN 51 5.992 1.090 -6.775 283 HA GLN 51 HA GLN 51 6.630 3.371 -8.390 284 HB2 GLN 51 1HB GLN 51 6.677 2.129 -10.295 285 HB3 GLN 51 2HB GLN 51 5.793 0.794 -9.570 286 HG2 GLN 51 1HG GLN 51 3.740 2.137 -9.742 287 HG3 GLN 51 2HG GLN 51 4.649 3.352 -10.643 288 HE21 GLN 51 2HE2 GLN 51 2.374 1.819 -11.503 289 HE22 GLN 51 1HE2 GLN 51 2.869 0.931 -12.897 290 H VAL 52 H VAL 52 4.965 4.815 -8.473 291 HA VAL 52 HA VAL 52 2.314 3.950 -7.584 292 HB VAL 52 HB VAL 52 3.628 5.011 -5.665 293 HG11 VAL 52 1HG1 VAL 52 3.515 7.540 -5.681 294 HG12 VAL 52 2HG1 VAL 52 3.275 7.416 -7.426 295 HG13 VAL 52 3HG1 VAL 52 4.759 6.802 -6.695 296 HG21 VAL 52 3HG2 VAL 52 1.255 4.754 -5.527 297 HG22 VAL 52 1HG2 VAL 52 1.004 6.178 -6.531 298 HG23 VAL 52 2HG2 VAL 52 1.686 6.351 -4.915 299 H PHE 53 H PHE 53 0.644 5.503 -8.219 300 HA PHE 53 HA PHE 53 1.359 6.834 -10.712 301 HB2 PHE 53 1HB PHE 53 -1.347 6.279 -9.480 302 HB3 PHE 53 2HB PHE 53 -1.087 7.017 -11.058 303 HD1 PHE 53 HD1 PHE 53 0.102 5.684 -12.836 304 HD2 PHE 53 HD2 PHE 53 -1.312 3.943 -9.222 305 HE1 PHE 53 HE1 PHE 53 0.247 3.451 -13.859 306 HE2 PHE 53 HE2 PHE 53 -1.177 1.709 -10.241 307 HZ PHE 53 HZ PHE 53 -0.396 1.461 -12.561 308 H ASP 54 H ASP 54 -1.195 8.610 -10.079 309 HA ASP 54 HA ASP 54 0.094 10.398 -8.134 310 HB2 ASP 54 1HB ASP 54 0.604 11.014 -10.568 311 HB3 ASP 54 2HB ASP 54 -1.087 11.484 -10.678 312 H ASN 55 H ASN 55 -2.819 9.509 -9.833 313 HA ASN 55 HA ASN 55 -4.381 11.319 -8.171 314 HB2 ASN 55 1HB ASN 55 -5.059 9.909 -10.752 315 HB3 ASN 55 2HB ASN 55 -6.214 10.857 -9.818 316 HD21 ASN 55 2HD2 ASN 55 -3.398 10.950 -11.844 317 HD22 ASN 55 1HD2 ASN 55 -3.404 12.657 -12.104 318 H THR 56 H THR 56 -3.293 8.302 -8.020 319 HA THR 56 HA THR 56 -5.706 6.965 -7.184 320 HB THR 56 HB THR 56 -4.227 5.107 -6.595 321 HG1 THR 56 HG1 THR 56 -2.050 5.322 -6.543 322 HG21 THR 56 3HG2 THR 56 -3.212 4.688 -8.791 323 HG22 THR 56 1HG2 THR 56 -3.482 6.373 -9.222 324 HG23 THR 56 2HG2 THR 56 -4.857 5.306 -8.930 325 HA PRO 57 HA PRO 57 -5.781 8.451 -3.071 326 HB2 PRO 57 1HB PRO 57 -5.899 6.048 -1.620 327 HB3 PRO 57 2HB PRO 57 -7.279 6.949 -2.242 328 HG2 PRO 57 1HG PRO 57 -5.913 4.560 -3.379 329 HG3 PRO 57 2HG PRO 57 -7.628 4.998 -3.415 330 HD2 PRO 57 1HD PRO 57 -6.056 5.272 -5.571 331 HD3 PRO 57 2HD PRO 57 -7.355 6.429 -5.214 332 H ALA 58 H ALA 58 -3.771 5.619 -3.562 333 HA ALA 58 HA ALA 58 -1.949 5.905 -1.472 334 HB1 ALA 58 3HB ALA 58 -0.501 4.481 -2.769 335 HB2 ALA 58 1HB ALA 58 -1.430 4.836 -4.226 336 HB3 ALA 58 2HB ALA 58 -2.169 3.930 -2.907 337 H ALA 59 H ALA 59 -1.827 7.198 -4.797 338 HA ALA 59 HA ALA 59 0.744 8.417 -4.332 339 HB1 ALA 59 3HB ALA 59 0.550 9.253 -6.534 340 HB2 ALA 59 1HB ALA 59 -1.198 9.024 -6.541 341 HB3 ALA 59 2HB ALA 59 -0.129 7.627 -6.546 342 H LEU 60 H LEU 60 -2.533 9.621 -4.893 343 HA LEU 60 HA LEU 60 -1.984 12.301 -4.806 344 HB2 LEU 60 1HB LEU 60 -4.187 12.716 -4.720 345 HB3 LEU 60 2HB LEU 60 -4.035 11.225 -5.591 346 HG LEU 60 HG LEU 60 -4.662 10.334 -3.118 347 HD11 LEU 60 1HD1 LEU 60 -4.818 12.838 -2.581 348 HD12 LEU 60 2HD1 LEU 60 -6.158 11.796 -2.071 349 HD13 LEU 60 3HD1 LEU 60 -6.317 12.801 -3.514 350 HD21 LEU 60 3HD2 LEU 60 -5.673 9.749 -5.269 351 HD22 LEU 60 1HD2 LEU 60 -6.543 11.279 -5.267 352 HD23 LEU 60 2HD2 LEU 60 -6.895 10.066 -4.036 353 H ASP 61 H ASP 61 -3.736 10.949 -2.044 354 HA ASP 61 HA ASP 61 -2.474 13.000 -0.378 355 HB2 ASP 61 1HB ASP 61 -4.971 12.699 -0.330 356 HB3 ASP 61 2HB ASP 61 -4.715 11.094 0.341 357 H GLY 62 H GLY 62 -2.160 9.941 -1.384 358 HA2 GLY 62 1HA GLY 62 -1.718 8.491 1.034 359 HA3 GLY 62 2HA GLY 62 -1.219 7.981 -0.568 360 H THR 63 H THR 63 0.564 9.933 -1.230 361 HA THR 63 HA THR 63 2.729 10.557 -1.105 362 HB THR 63 HB THR 63 3.647 11.385 0.933 363 HG1 THR 63 HG1 THR 63 1.825 9.602 2.134 364 HG21 THR 63 3HG2 THR 63 0.666 11.751 0.849 365 HG22 THR 63 1HG2 THR 63 1.876 12.728 0.024 366 HG23 THR 63 2HG2 THR 63 1.768 12.767 1.785 367 H VAL 64 H VAL 64 1.715 7.680 -0.528 368 HA VAL 64 HA VAL 64 4.191 6.468 0.392 369 HB VAL 64 HB VAL 64 2.996 4.304 0.127 370 HG11 VAL 64 1HG1 VAL 64 1.484 6.306 1.755 371 HG12 VAL 64 2HG1 VAL 64 3.142 5.838 2.118 372 HG13 VAL 64 3HG1 VAL 64 1.856 4.622 2.154 373 HG21 VAL 64 3HG2 VAL 64 0.605 6.073 -0.432 374 HG22 VAL 64 1HG2 VAL 64 0.574 4.327 -0.186 375 HG23 VAL 64 2HG2 VAL 64 1.372 5.003 -1.605 376 H ALA 65 H ALA 65 4.907 7.740 -1.504 377 HA ALA 65 HA ALA 65 4.400 6.585 -4.111 378 HB1 ALA 65 3HB ALA 65 6.139 8.914 -3.315 379 HB2 ALA 65 1HB ALA 65 4.469 9.002 -3.877 380 HB3 ALA 65 2HB ALA 65 5.738 8.446 -4.968 381 H ALA 66 H ALA 66 6.362 6.420 -5.597 382 HA ALA 66 HA ALA 66 7.686 4.100 -4.974 383 HB1 ALA 66 3HB ALA 66 9.017 4.472 -6.941 384 HB2 ALA 66 1HB ALA 66 8.648 6.196 -6.910 385 HB3 ALA 66 2HB ALA 66 7.370 5.027 -7.239 386 H GLY 67 H GLY 67 9.423 3.549 -3.854 387 HA2 GLY 67 1HA GLY 67 11.793 4.049 -3.402 388 HA3 GLY 67 2HA GLY 67 11.292 5.700 -3.070 389 H ASP 68 H ASP 68 8.820 4.483 -1.682 390 HA ASP 68 HA ASP 68 10.097 4.508 0.919 391 HB2 ASP 68 1HB ASP 68 7.447 5.006 -0.060 392 HB3 ASP 68 2HB ASP 68 7.381 3.826 1.237 393 H GLU 69 H GLU 69 9.525 2.875 2.557 394 HA GLU 69 HA GLU 69 9.606 0.219 1.297 395 HB2 GLU 69 1HB GLU 69 11.663 0.971 2.549 396 HB3 GLU 69 2HB GLU 69 10.696 0.929 4.019 397 HG2 GLU 69 1HG GLU 69 10.356 -1.412 3.824 398 HG3 GLU 69 2HG GLU 69 11.054 -1.438 2.206 399 H ILE 70 H ILE 70 7.960 -1.082 1.672 400 HA ILE 70 HA ILE 70 5.867 -0.102 3.450 401 HB ILE 70 HB ILE 70 5.733 -2.421 1.523 402 HG12 ILE 70 1HG1 ILE 70 6.266 -0.404 0.277 403 HG13 ILE 70 2HG1 ILE 70 4.595 -0.870 -0.023 404 HG21 ILE 70 1HG2 ILE 70 3.305 -2.081 1.674 405 HG22 ILE 70 2HG2 ILE 70 3.571 -0.816 2.874 406 HG23 ILE 70 3HG2 ILE 70 4.020 -2.484 3.234 407 HD11 ILE 70 3HD1 ILE 70 3.875 0.831 1.607 408 HD12 ILE 70 1HD1 ILE 70 4.740 1.509 0.226 409 HD13 ILE 70 2HD1 ILE 70 5.556 1.330 1.781 410 H THR 71 H THR 71 5.516 -0.971 5.390 411 HA THR 71 HA THR 71 7.042 -3.387 6.043 412 HB THR 71 HB THR 71 7.657 -1.490 7.395 413 HG1 THR 71 HG1 THR 71 7.501 -3.597 8.410 414 HG21 THR 71 3HG2 THR 71 6.085 -0.376 8.894 415 HG22 THR 71 1HG2 THR 71 4.763 -1.352 8.245 416 HG23 THR 71 2HG2 THR 71 5.594 -0.190 7.209 417 H GLY 72 H GLY 72 3.773 -2.120 5.968 418 HA2 GLY 72 1HA GLY 72 2.751 -4.762 6.437 419 HA3 GLY 72 2HA GLY 72 2.478 -3.682 7.792 420 H VAL 73 H VAL 73 0.597 -5.033 6.094 421 HA VAL 73 HA VAL 73 -0.786 -2.788 4.828 422 HB VAL 73 HB VAL 73 -0.893 -4.328 3.147 423 HG11 VAL 73 1HG1 VAL 73 -0.575 -6.528 5.195 424 HG12 VAL 73 2HG1 VAL 73 0.712 -5.846 4.204 425 HG13 VAL 73 3HG1 VAL 73 -0.596 -6.755 3.447 426 HG21 VAL 73 3HG2 VAL 73 -2.900 -5.489 5.056 427 HG22 VAL 73 1HG2 VAL 73 -2.818 -5.878 3.336 428 HG23 VAL 73 2HG2 VAL 73 -3.196 -4.232 3.853 429 H ASN 74 H ASN 74 -2.425 -1.956 5.993 430 HA ASN 74 HA ASN 74 -4.037 -1.706 7.581 431 HB2 ASN 74 1HB ASN 74 -4.554 -4.373 6.351 432 HB3 ASN 74 2HB ASN 74 -5.543 -3.866 7.710 433 HD21 ASN 74 2HD2 ASN 74 -7.395 -3.710 6.495 434 HD22 ASN 74 1HD2 ASN 74 -7.644 -2.455 5.334 435 H GLY 75 H GLY 75 -1.460 -2.696 8.594 436 HA2 GLY 75 1HA GLY 75 -1.014 -2.687 10.942 437 HA3 GLY 75 2HA GLY 75 -2.508 -3.571 11.190 438 H ARG 76 H ARG 76 -1.658 -5.396 8.838 439 HA ARG 76 HA ARG 76 0.050 -7.076 10.464 440 HB2 ARG 76 1HB ARG 76 -0.684 -8.844 8.924 441 HB3 ARG 76 2HB ARG 76 -2.006 -8.106 9.788 442 HG2 ARG 76 1HG ARG 76 -2.345 -6.689 7.736 443 HG3 ARG 76 2HG ARG 76 -1.228 -7.778 6.915 444 HD2 ARG 76 1HD ARG 76 -3.437 -8.549 6.463 445 HD3 ARG 76 2HD ARG 76 -2.701 -9.673 7.601 446 HE ARG 76 HE ARG 76 -4.205 -7.614 8.901 447 HH11 ARG 76 1HH1 ARG 76 -4.416 -10.739 7.343 448 HH12 ARG 76 2HH1 ARG 76 -5.939 -11.143 8.080 449 HH21 ARG 76 1HH2 ARG 76 -6.178 -8.146 9.899 450 HH22 ARG 76 2HH2 ARG 76 -6.946 -9.661 9.530 451 H SER 77 H SER 77 2.119 -7.332 9.972 452 HA SER 77 HA SER 77 3.386 -5.868 7.950 453 HB2 SER 77 1HB SER 77 4.432 -8.286 9.439 454 HB3 SER 77 2HB SER 77 5.403 -7.062 8.618 455 HG SER 77 HG SER 77 4.572 -5.521 10.096 456 H ILE 78 H ILE 78 4.449 -6.537 6.035 457 HA ILE 78 HA ILE 78 2.988 -8.589 4.603 458 HB ILE 78 HB ILE 78 4.033 -7.888 2.626 459 HG12 ILE 78 1HG1 ILE 78 6.371 -7.897 3.447 460 HG13 ILE 78 2HG1 ILE 78 6.001 -6.508 2.441 461 HG21 ILE 78 1HG2 ILE 78 2.438 -6.272 3.399 462 HG22 ILE 78 2HG2 ILE 78 3.770 -5.426 2.613 463 HG23 ILE 78 3HG2 ILE 78 3.665 -5.463 4.373 464 HD11 ILE 78 3HD1 ILE 78 7.390 -5.872 4.311 465 HD12 ILE 78 1HD1 ILE 78 6.205 -6.524 5.442 466 HD13 ILE 78 2HD1 ILE 78 5.801 -5.123 4.451 467 H LYS 79 H LYS 79 5.757 -8.323 6.436 468 HA LYS 79 HA LYS 79 7.636 -9.937 5.151 469 HB2 LYS 79 1HB LYS 79 8.173 -8.366 6.917 470 HB3 LYS 79 2HB LYS 79 7.220 -9.283 8.069 471 HG2 LYS 79 1HG LYS 79 8.809 -11.165 7.818 472 HG3 LYS 79 2HG LYS 79 9.782 -10.157 6.744 473 HD2 LYS 79 1HD LYS 79 9.105 -9.515 9.615 474 HD3 LYS 79 2HD LYS 79 10.649 -10.149 9.046 475 HE2 LYS 79 1HE LYS 79 11.061 -8.160 7.768 476 HE3 LYS 79 2HE LYS 79 9.443 -7.550 8.107 477 HZ1 LYS 79 3HZ LYS 79 9.996 -7.242 10.374 478 HZ2 LYS 79 1HZ LYS 79 11.239 -6.542 9.468 479 HZ3 LYS 79 2HZ LYS 79 11.472 -8.043 10.210 480 H GLY 80 H GLY 80 4.831 -10.756 6.995 481 HA2 GLY 80 1HA GLY 80 5.738 -13.413 7.655 482 HA3 GLY 80 2HA GLY 80 4.141 -12.748 7.958 483 H LYS 81 H LYS 81 4.403 -12.004 4.843 484 HA LYS 81 HA LYS 81 3.743 -14.690 3.897 485 HB2 LYS 81 1HB LYS 81 1.682 -13.877 2.789 486 HB3 LYS 81 2HB LYS 81 1.591 -13.814 4.540 487 HG2 LYS 81 1HG LYS 81 2.263 -11.418 2.856 488 HG3 LYS 81 2HG LYS 81 0.612 -11.860 3.285 489 HD2 LYS 81 1HD LYS 81 2.783 -11.398 5.317 490 HD3 LYS 81 2HD LYS 81 1.705 -10.132 4.744 491 HE2 LYS 81 1HE LYS 81 -0.212 -11.312 5.596 492 HE3 LYS 81 2HE LYS 81 0.778 -12.709 6.006 493 HZ1 LYS 81 3HZ LYS 81 1.209 -10.034 7.203 494 HZ2 LYS 81 1HZ LYS 81 1.845 -11.514 7.716 495 HZ3 LYS 81 2HZ LYS 81 0.195 -11.199 7.898 496 H THR 82 H THR 82 2.574 -12.752 1.579 497 HA THR 82 HA THR 82 5.125 -12.144 0.331 498 HB THR 82 HB THR 82 4.288 -13.386 -1.783 499 HG1 THR 82 HG1 THR 82 2.903 -14.816 0.267 500 HG21 THR 82 3HG2 THR 82 5.382 -14.906 0.584 501 HG22 THR 82 1HG2 THR 82 6.318 -14.021 -0.617 502 HG23 THR 82 2HG2 THR 82 5.424 -15.466 -1.087 503 H LYS 83 H LYS 83 4.802 -11.122 -1.813 504 HA LYS 83 HA LYS 83 3.215 -8.910 -1.741 505 HB2 LYS 83 1HB LYS 83 3.481 -9.412 -4.438 506 HB3 LYS 83 2HB LYS 83 4.643 -8.581 -3.419 507 HG2 LYS 83 1HG LYS 83 5.954 -10.508 -3.143 508 HG3 LYS 83 2HG LYS 83 4.680 -11.559 -3.765 509 HD2 LYS 83 1HD LYS 83 6.510 -11.184 -5.379 510 HD3 LYS 83 2HD LYS 83 4.943 -10.628 -5.972 511 HE2 LYS 83 1HE LYS 83 5.532 -8.336 -5.281 512 HE3 LYS 83 2HE LYS 83 7.123 -8.919 -4.785 513 HZ1 LYS 83 3HZ LYS 83 7.629 -9.503 -7.000 514 HZ2 LYS 83 1HZ LYS 83 7.027 -7.923 -7.037 515 HZ3 LYS 83 2HZ LYS 83 6.047 -9.219 -7.518 516 H VAL 84 H VAL 84 2.499 -11.891 -3.573 517 HA VAL 84 HA VAL 84 0.106 -11.100 -4.660 518 HB VAL 84 HB VAL 84 1.273 -13.041 -5.440 519 HG11 VAL 84 1HG1 VAL 84 0.633 -14.299 -2.779 520 HG12 VAL 84 2HG1 VAL 84 2.229 -13.798 -3.336 521 HG13 VAL 84 3HG1 VAL 84 1.384 -15.114 -4.150 522 HG21 VAL 84 3HG2 VAL 84 -0.568 -14.642 -5.540 523 HG22 VAL 84 1HG2 VAL 84 -1.099 -12.984 -5.810 524 HG23 VAL 84 2HG2 VAL 84 -1.382 -13.756 -4.253 525 H GLU 85 H GLU 85 0.751 -12.515 -1.488 526 HA GLU 85 HA GLU 85 -2.005 -12.842 -0.814 527 HB2 GLU 85 1HB GLU 85 0.411 -12.769 0.997 528 HB3 GLU 85 2HB GLU 85 -1.186 -13.356 1.431 529 HG2 GLU 85 1HG GLU 85 -0.942 -15.087 -0.346 530 HG3 GLU 85 2HG GLU 85 0.723 -14.556 -0.551 531 H VAL 86 H VAL 86 0.437 -10.359 -0.192 532 HA VAL 86 HA VAL 86 -1.187 -8.949 1.676 533 HB VAL 86 HB VAL 86 0.417 -7.140 1.524 534 HG11 VAL 86 1HG1 VAL 86 2.211 -8.252 2.511 535 HG12 VAL 86 2HG1 VAL 86 2.046 -9.652 1.452 536 HG13 VAL 86 3HG1 VAL 86 0.867 -9.371 2.743 537 HG21 VAL 86 3HG2 VAL 86 2.416 -7.335 0.097 538 HG22 VAL 86 1HG2 VAL 86 0.926 -7.094 -0.821 539 HG23 VAL 86 2HG2 VAL 86 1.651 -8.699 -0.717 540 H ALA 87 H ALA 87 -0.427 -8.416 -1.739 541 HA ALA 87 HA ALA 87 -2.127 -6.309 -2.360 542 HB1 ALA 87 3HB ALA 87 -2.300 -7.287 -4.598 543 HB2 ALA 87 1HB ALA 87 -1.609 -8.793 -3.994 544 HB3 ALA 87 2HB ALA 87 -0.642 -7.317 -3.997 545 H LYS 88 H LYS 88 -2.897 -9.756 -1.933 546 HA LYS 88 HA LYS 88 -5.597 -9.582 -2.686 547 HB2 LYS 88 1HB LYS 88 -4.466 -11.741 -2.433 548 HB3 LYS 88 2HB LYS 88 -4.339 -11.475 -0.698 549 HG2 LYS 88 1HG LYS 88 -6.630 -11.689 -0.385 550 HG3 LYS 88 2HG LYS 88 -6.978 -11.462 -2.089 551 HD2 LYS 88 1HD LYS 88 -7.270 -13.793 -1.501 552 HD3 LYS 88 2HD LYS 88 -5.904 -13.604 -2.599 553 HE2 LYS 88 1HE LYS 88 -5.161 -15.101 -0.960 554 HE3 LYS 88 2HE LYS 88 -4.454 -13.544 -0.542 555 HZ1 LYS 88 3HZ LYS 88 -6.948 -14.570 0.677 556 HZ2 LYS 88 1HZ LYS 88 -6.031 -13.240 1.175 557 HZ3 LYS 88 2HZ LYS 88 -5.417 -14.804 1.361 558 H MET 89 H MET 89 -4.122 -9.537 0.563 559 HA MET 89 HA MET 89 -6.362 -8.988 2.058 560 HB2 MET 89 1HB MET 89 -3.494 -8.320 2.371 561 HB3 MET 89 2HB MET 89 -4.673 -7.760 3.556 562 HG2 MET 89 1HG MET 89 -4.406 -10.613 2.680 563 HG3 MET 89 2HG MET 89 -3.594 -9.928 4.068 564 HE1 MET 89 3HE MET 89 -6.488 -12.131 5.627 565 HE2 MET 89 1HE MET 89 -4.744 -11.909 5.514 566 HE3 MET 89 2HE MET 89 -5.651 -12.471 4.113 567 H ILE 90 H ILE 90 -4.235 -6.725 0.402 568 HA ILE 90 HA ILE 90 -5.440 -4.352 1.258 569 HB ILE 90 HB ILE 90 -3.799 -5.060 -1.159 570 HG12 ILE 90 1HG1 ILE 90 -3.207 -3.313 1.233 571 HG13 ILE 90 2HG1 ILE 90 -2.812 -5.025 1.145 572 HG21 ILE 90 1HG2 ILE 90 -5.407 -3.147 -1.635 573 HG22 ILE 90 2HG2 ILE 90 -3.688 -2.842 -1.890 574 HG23 ILE 90 3HG2 ILE 90 -4.490 -2.228 -0.435 575 HD11 ILE 90 3HD1 ILE 90 -0.900 -3.561 0.680 576 HD12 ILE 90 1HD1 ILE 90 -1.755 -2.917 -0.720 577 HD13 ILE 90 2HD1 ILE 90 -1.292 -4.619 -0.675 578 H GLN 91 H GLN 91 -6.167 -6.426 -1.547 579 HA GLN 91 HA GLN 91 -8.313 -4.758 -2.433 580 HB2 GLN 91 1HB GLN 91 -7.526 -7.585 -3.100 581 HB3 GLN 91 2HB GLN 91 -8.871 -6.747 -3.847 582 HG2 GLN 91 1HG GLN 91 -7.228 -4.965 -4.534 583 HG3 GLN 91 2HG GLN 91 -5.958 -6.074 -4.021 584 HE21 GLN 91 2HE2 GLN 91 -5.120 -6.266 -6.078 585 HE22 GLN 91 1HE2 GLN 91 -5.925 -7.138 -7.331 586 H GLU 92 H GLU 92 -8.007 -7.546 -0.337 587 HA GLU 92 HA GLU 92 -10.663 -8.411 -0.238 588 HB2 GLU 92 1HB GLU 92 -8.968 -9.804 0.626 589 HB3 GLU 92 2HB GLU 92 -8.358 -8.573 1.696 590 HG2 GLU 92 1HG GLU 92 -9.474 -10.132 3.037 591 HG3 GLU 92 2HG GLU 92 -10.533 -8.739 2.909 592 H VAL 93 H VAL 93 -8.910 -6.149 1.814 593 HA VAL 93 HA VAL 93 -11.184 -5.346 3.317 594 HB VAL 93 HB VAL 93 -9.815 -3.566 4.198 595 HG11 VAL 93 1HG1 VAL 93 -8.232 -6.086 3.710 596 HG12 VAL 93 2HG1 VAL 93 -9.385 -5.801 5.019 597 HG13 VAL 93 3HG1 VAL 93 -7.877 -4.888 4.959 598 HG21 VAL 93 3HG2 VAL 93 -7.571 -3.074 3.349 599 HG22 VAL 93 1HG2 VAL 93 -8.799 -2.750 2.120 600 HG23 VAL 93 2HG2 VAL 93 -7.814 -4.215 2.025 601 H LYS 94 H LYS 94 -12.646 -5.183 1.509 602 HA LYS 94 HA LYS 94 -12.304 -3.442 -0.642 603 HB2 LYS 94 1HB LYS 94 -14.869 -4.481 0.566 604 HB3 LYS 94 2HB LYS 94 -14.726 -3.732 -1.018 605 HG2 LYS 94 1HG LYS 94 -13.238 -5.526 -1.737 606 HG3 LYS 94 2HG LYS 94 -13.376 -6.278 -0.149 607 HD2 LYS 94 1HD LYS 94 -15.758 -6.607 -0.490 608 HD3 LYS 94 2HD LYS 94 -15.665 -5.790 -2.053 609 HE2 LYS 94 1HE LYS 94 -14.181 -7.522 -2.891 610 HE3 LYS 94 2HE LYS 94 -14.191 -8.318 -1.319 611 HZ1 LYS 94 3HZ LYS 94 -16.556 -7.944 -3.072 612 HZ2 LYS 94 1HZ LYS 94 -16.547 -8.736 -1.577 613 HZ3 LYS 94 2HZ LYS 94 -15.691 -9.383 -2.886 614 H GLY 95 H GLY 95 -12.338 -1.310 -0.770 615 HA2 GLY 95 1HA GLY 95 -13.702 0.651 -0.671 616 HA3 GLY 95 2HA GLY 95 -14.357 0.067 0.847 617 H GLU 96 H GLU 96 -11.526 -0.589 1.759 618 HA GLU 96 HA GLU 96 -10.847 2.180 2.435 619 HB2 GLU 96 1HB GLU 96 -10.517 1.612 4.709 620 HB3 GLU 96 2HB GLU 96 -12.074 0.927 4.265 621 HG2 GLU 96 1HG GLU 96 -11.163 -1.237 4.076 622 HG3 GLU 96 2HG GLU 96 -9.526 -0.644 4.215 623 H VAL 97 H VAL 97 -8.671 2.146 3.577 624 HA VAL 97 HA VAL 97 -6.702 0.399 2.461 625 HB VAL 97 HB VAL 97 -7.421 3.079 1.410 626 HG11 VAL 97 1HG1 VAL 97 -4.592 2.108 1.462 627 HG12 VAL 97 2HG1 VAL 97 -5.257 3.456 2.385 628 HG13 VAL 97 3HG1 VAL 97 -5.208 3.534 0.622 629 HG21 VAL 97 3HG2 VAL 97 -6.856 2.091 -0.688 630 HG22 VAL 97 1HG2 VAL 97 -7.869 0.981 0.233 631 HG23 VAL 97 2HG2 VAL 97 -6.130 0.697 0.117 632 H THR 98 H THR 98 -5.094 0.251 3.980 633 HA THR 98 HA THR 98 -4.284 2.701 5.364 634 HB THR 98 HB THR 98 -4.604 0.067 6.813 635 HG1 THR 98 HG1 THR 98 -6.641 1.036 6.332 636 HG21 THR 98 3HG2 THR 98 -2.825 1.513 7.678 637 HG22 THR 98 1HG2 THR 98 -4.171 1.412 8.812 638 HG23 THR 98 2HG2 THR 98 -3.970 2.848 7.807 639 H ILE 99 H ILE 99 -2.283 2.994 4.619 640 HA ILE 99 HA ILE 99 -0.572 0.671 4.098 641 HB ILE 99 HB ILE 99 0.978 2.587 3.181 642 HG12 ILE 99 1HG1 ILE 99 -0.749 4.342 3.976 643 HG13 ILE 99 2HG1 ILE 99 -0.030 4.528 2.384 644 HG21 ILE 99 1HG2 ILE 99 -1.426 1.552 1.696 645 HG22 ILE 99 2HG2 ILE 99 0.141 0.757 1.857 646 HG23 ILE 99 3HG2 ILE 99 0.008 2.267 0.954 647 HD11 ILE 99 3HD1 ILE 99 -2.011 3.694 1.325 648 HD12 ILE 99 1HD1 ILE 99 -2.443 4.992 2.435 649 HD13 ILE 99 2HD1 ILE 99 -2.732 3.315 2.888 650 H HIS 100 H HIS 100 1.504 0.482 4.949 651 HA HIS 100 HA HIS 100 2.242 2.380 7.077 652 HB2 HIS 100 1HB HIS 100 2.432 -0.641 7.228 653 HB3 HIS 100 2HB HIS 100 3.115 0.468 8.410 654 HD1 HIS 100 HD1 HIS 100 -0.247 -0.600 7.040 655 HD2 HIS 100 HD2 HIS 100 1.393 1.220 10.395 656 HE1 HIS 100 HE1 HIS 100 -2.137 -0.384 8.683 657 HE2 HIS 100 HE2 HIS 100 -1.140 0.770 10.685 658 H TYR 101 H TYR 101 4.224 3.182 6.767 659 HA TYR 101 HA TYR 101 6.157 1.584 5.245 660 HB2 TYR 101 1HB TYR 101 6.833 3.641 4.007 661 HB3 TYR 101 2HB TYR 101 5.207 3.092 3.625 662 HD1 TYR 101 HD2 TYR 101 3.252 4.368 4.405 663 HD2 TYR 101 HD1 TYR 101 7.214 5.760 5.086 664 HE1 TYR 101 HE2 TYR 101 2.374 6.610 4.901 665 HE2 TYR 101 HE1 TYR 101 6.345 8.005 5.582 666 HH TYR 101 HH TYR 101 4.333 9.356 5.065 667 H ASN 102 H ASN 102 8.279 1.867 5.752 668 HA ASN 102 HA ASN 102 9.009 3.836 7.815 669 HB2 ASN 102 1HB ASN 102 10.062 0.991 7.855 670 HB3 ASN 102 2HB ASN 102 10.297 2.235 9.087 671 HD21 ASN 102 2HD2 ASN 102 9.228 -0.518 9.148 672 HD22 ASN 102 1HD2 ASN 102 7.686 -0.385 9.916 673 H LYS 103 H LYS 103 11.699 3.408 7.946 674 HA LYS 103 HA LYS 103 12.541 3.584 5.135 675 HB2 LYS 103 1HB LYS 103 13.558 4.737 7.679 676 HB3 LYS 103 2HB LYS 103 14.755 4.318 6.464 677 HG2 LYS 103 1HG LYS 103 14.083 6.667 6.341 678 HG3 LYS 103 2HG LYS 103 13.702 5.789 4.861 679 HD2 LYS 103 1HD LYS 103 11.538 5.845 6.849 680 HD3 LYS 103 2HD LYS 103 11.976 7.420 6.195 681 HE2 LYS 103 1HE LYS 103 11.728 6.470 3.906 682 HE3 LYS 103 2HE LYS 103 11.154 4.974 4.633 683 HZ1 LYS 103 3HZ LYS 103 9.286 6.278 3.968 684 HZ2 LYS 103 1HZ LYS 103 9.863 7.638 4.803 685 HZ3 LYS 103 2HZ LYS 103 9.348 6.278 5.660 686 H LEU 104 H LEU 104 12.283 1.429 7.555 687 HA LEU 104 HA LEU 104 13.717 -0.618 6.336 688 HB2 LEU 104 1HB LEU 104 15.520 -0.963 7.979 689 HB3 LEU 104 2HB LEU 104 15.725 0.522 7.070 690 HG LEU 104 HG LEU 104 14.463 1.544 9.165 691 HD11 LEU 104 1HD1 LEU 104 15.308 0.443 11.221 692 HD12 LEU 104 2HD1 LEU 104 15.776 -0.938 10.226 693 HD13 LEU 104 3HD1 LEU 104 14.078 -0.467 10.344 694 HD21 LEU 104 3HD2 LEU 104 16.630 2.242 8.350 695 HD22 LEU 104 1HD2 LEU 104 17.389 0.846 9.116 696 HD23 LEU 104 2HD2 LEU 104 16.636 2.097 10.106 697 H GLN 105 H GLN 105 13.701 -2.604 7.731 698 HA GLN 105 HA GLN 105 11.975 -2.508 10.042 699 HB2 GLN 105 1HB GLN 105 10.383 -4.196 8.921 700 HB3 GLN 105 2HB GLN 105 10.210 -2.493 8.523 701 HG2 GLN 105 1HG GLN 105 11.527 -2.866 6.475 702 HG3 GLN 105 2HG GLN 105 11.596 -4.584 6.865 703 HE21 GLN 105 2HE2 GLN 105 10.439 -3.129 4.583 704 HE22 GLN 105 1HE2 GLN 105 8.782 -3.626 4.502 705 H ALA 106 H ALA 106 14.252 -3.308 10.538 706 HA ALA 106 HA ALA 106 14.006 -6.167 10.894 707 HB1 ALA 106 3HB ALA 106 16.225 -6.721 10.091 708 HB2 ALA 106 1HB ALA 106 16.468 -5.053 9.566 709 HB3 ALA 106 2HB ALA 106 15.238 -6.051 8.787 710 H ASP 107 H ASP 107 15.407 -7.014 12.447 711 HA ASP 107 HA ASP 107 16.889 -5.121 14.124 712 HB2 ASP 107 1HB ASP 107 14.893 -7.202 15.085 713 HB3 ASP 107 2HB ASP 107 16.039 -6.394 16.143 714 HA PRO 108 HA PRO 108 20.416 -7.747 14.134 715 HB2 PRO 108 1HB PRO 108 19.505 -8.673 16.842 716 HB3 PRO 108 2HB PRO 108 21.142 -8.320 16.280 717 HG2 PRO 108 1HG PRO 108 19.735 -6.523 17.683 718 HG3 PRO 108 2HG PRO 108 20.828 -6.031 16.379 719 HD2 PRO 108 1HD PRO 108 17.898 -5.945 16.479 720 HD3 PRO 108 2HD PRO 108 19.007 -5.118 15.372 721 H LYS 109 H LYS 109 17.797 -9.455 15.819 722 HA LYS 109 HA LYS 109 18.497 -12.053 15.019 723 HB2 LYS 109 1HB LYS 109 16.168 -12.621 15.691 724 HB3 LYS 109 2HB LYS 109 17.051 -11.709 16.907 725 HG2 LYS 109 1HG LYS 109 15.896 -9.665 16.180 726 HG3 LYS 109 2HG LYS 109 14.997 -10.606 14.985 727 HD2 LYS 109 1HD LYS 109 14.918 -11.022 17.980 728 HD3 LYS 109 2HD LYS 109 13.685 -10.193 17.029 729 HE2 LYS 109 1HE LYS 109 13.283 -12.262 15.772 730 HE3 LYS 109 2HE LYS 109 14.505 -13.082 16.741 731 HZ1 LYS 109 3HZ LYS 109 12.010 -11.876 17.796 732 HZ2 LYS 109 1HZ LYS 109 13.170 -12.710 18.702 733 HZ3 LYS 109 2HZ LYS 109 12.261 -13.525 17.530 734 H GLN 110 H GLN 110 16.158 -9.784 13.668 735 HA GLN 110 HA GLN 110 15.209 -11.645 11.693 736 HB2 GLN 110 1HB GLN 110 14.611 -8.787 12.368 737 HB3 GLN 110 2HB GLN 110 13.907 -9.576 10.981 738 HG2 GLN 110 1HG GLN 110 13.556 -10.343 13.846 739 HG3 GLN 110 2HG GLN 110 12.372 -9.581 12.800 740 HE21 GLN 110 2HE2 GLN 110 12.121 -12.039 14.249 741 HE22 GLN 110 1HE2 GLN 110 11.850 -13.290 13.087 742 H LEU 111 H LEU 111 17.627 -9.321 12.022 743 HA LEU 111 HA LEU 111 17.771 -8.435 9.319 744 HB2 LEU 111 1HB LEU 111 18.462 -7.074 11.267 745 HB3 LEU 111 2HB LEU 111 19.726 -8.233 11.617 746 HG LEU 111 HG LEU 111 20.385 -6.040 10.463 747 HD11 LEU 111 1HD1 LEU 111 22.094 -7.136 9.098 748 HD12 LEU 111 2HD1 LEU 111 21.213 -8.659 9.228 749 HD13 LEU 111 3HD1 LEU 111 21.909 -7.918 10.668 750 HD21 LEU 111 3HD2 LEU 111 19.285 -7.499 8.066 751 HD22 LEU 111 1HD2 LEU 111 20.153 -5.962 8.057 752 HD23 LEU 111 2HD2 LEU 111 18.560 -6.073 8.812 753 H GLU 112 H GLU 112 19.728 -10.569 11.385 754 HA GLU 112 HA GLU 112 21.427 -11.442 9.275 755 HB2 GLU 112 1HB GLU 112 22.145 -13.179 10.890 756 HB3 GLU 112 2HB GLU 112 22.173 -11.559 11.580 757 HG2 GLU 112 1HG GLU 112 20.329 -11.949 12.910 758 HG3 GLU 112 2HG GLU 112 19.775 -13.298 11.916 759 H VAL 113 H VAL 113 18.401 -12.598 10.636 760 HA VAL 113 HA VAL 113 18.484 -15.189 9.535 761 HB VAL 113 HB VAL 113 16.946 -14.288 11.391 762 HG11 VAL 113 1HG1 VAL 113 15.942 -12.495 10.078 763 HG12 VAL 113 2HG1 VAL 113 14.733 -13.610 10.714 764 HG13 VAL 113 3HG1 VAL 113 15.211 -13.696 9.018 765 HG21 VAL 113 3HG2 VAL 113 15.892 -16.135 9.267 766 HG22 VAL 113 1HG2 VAL 113 15.249 -15.990 10.902 767 HG23 VAL 113 2HG2 VAL 113 16.893 -16.577 10.651 768 H LEU 114 H LEU 114 17.194 -12.140 8.347 769 HA LEU 114 HA LEU 114 16.306 -13.258 5.856 770 HB2 LEU 114 1HB LEU 114 16.693 -10.409 6.768 771 HB3 LEU 114 2HB LEU 114 16.002 -10.866 5.230 772 HG LEU 114 HG LEU 114 14.821 -11.483 7.937 773 HD11 LEU 114 1HD1 LEU 114 13.077 -9.898 7.274 774 HD12 LEU 114 2HD1 LEU 114 13.974 -9.535 5.799 775 HD13 LEU 114 3HD1 LEU 114 14.661 -9.127 7.373 776 HD21 LEU 114 3HD2 LEU 114 14.275 -13.236 6.368 777 HD22 LEU 114 1HD2 LEU 114 13.794 -12.048 5.158 778 HD23 LEU 114 2HD2 LEU 114 12.856 -12.227 6.640 779 H PHE 115 H PHE 115 19.185 -11.846 7.145 780 HA PHE 115 HA PHE 115 20.429 -10.881 4.843 781 HB2 PHE 115 1HB PHE 115 21.184 -10.522 7.195 782 HB3 PHE 115 2HB PHE 115 21.753 -12.188 7.218 783 HD1 PHE 115 HD1 PHE 115 22.342 -8.824 5.920 784 HD2 PHE 115 HD2 PHE 115 23.763 -12.832 6.040 785 HE1 PHE 115 HE1 PHE 115 24.508 -8.081 5.029 786 HE2 PHE 115 HE2 PHE 115 25.933 -12.092 5.144 787 HZ PHE 115 HZ PHE 115 26.307 -9.715 4.640 788 H GLN 116 H GLN 116 20.524 -14.111 6.284 789 HA GLN 116 HA GLN 116 22.525 -15.106 4.554 790 HB2 GLN 116 1HB GLN 116 20.472 -16.603 6.183 791 HB3 GLN 116 2HB GLN 116 21.877 -17.327 5.416 792 HG2 GLN 116 1HG GLN 116 21.902 -15.254 7.597 793 HG3 GLN 116 2HG GLN 116 22.289 -16.965 7.767 794 HE21 GLN 116 2HE2 GLN 116 23.725 -17.091 5.243 795 HE22 GLN 116 1HE2 GLN 116 25.232 -16.289 5.507 796 H GLY 117 H GLY 117 19.028 -15.031 4.365 797 HA2 GLY 117 1HA GLY 117 18.042 -14.930 2.143 798 HA3 GLY 117 2HA GLY 117 19.264 -16.078 1.609 799 HA PRO 118 HA PRO 118 16.486 -18.519 4.751 800 HB2 PRO 118 1HB PRO 118 14.002 -17.394 5.131 801 HB3 PRO 118 2HB PRO 118 15.368 -17.221 6.231 802 HG2 PRO 118 1HG PRO 118 14.435 -15.374 4.067 803 HG3 PRO 118 2HG PRO 118 14.951 -14.993 5.725 804 HD2 PRO 118 1HD PRO 118 16.634 -14.627 3.716 805 HD3 PRO 118 2HD PRO 118 17.199 -15.363 5.233 806 H GLN 119 H GLN 119 13.990 -16.795 2.927 807 HA GLN 119 HA GLN 119 13.774 -18.967 0.996 808 HB2 GLN 119 1HB GLN 119 11.518 -18.054 2.792 809 HB3 GLN 119 2HB GLN 119 11.251 -18.935 1.298 810 HG2 GLN 119 1HG GLN 119 12.937 -19.986 3.550 811 HG3 GLN 119 2HG GLN 119 11.208 -20.293 3.403 812 HE21 GLN 119 2HE2 GLN 119 14.357 -20.926 2.080 813 HE22 GLN 119 1HE2 GLN 119 13.886 -22.255 1.075 814 H PHE 120 H PHE 120 11.568 -16.372 1.894 815 HA PHE 120 HA PHE 120 10.619 -14.698 0.701 816 HB2 PHE 120 1HB PHE 120 12.771 -13.740 1.490 817 HB3 PHE 120 2HB PHE 120 13.501 -14.178 -0.048 818 HD1 PHE 120 HD2 PHE 120 10.090 -12.814 0.400 819 HD2 PHE 120 HD1 PHE 120 14.092 -12.031 -0.810 820 HE1 PHE 120 HE2 PHE 120 9.380 -10.666 -0.555 821 HE2 PHE 120 HE1 PHE 120 13.388 -9.882 -1.766 822 HZ PHE 120 HZ PHE 120 11.032 -9.197 -1.641 823 H THR 121 H THR 121 9.654 -16.332 -0.723 824 HA THR 121 HA THR 121 10.773 -16.532 -3.390 825 HB THR 121 HB THR 121 8.615 -17.836 -3.822 826 HG1 THR 121 HG1 THR 121 7.834 -16.829 -1.624 827 HG21 THR 121 3HG2 THR 121 9.463 -19.835 -2.683 828 HG22 THR 121 1HG2 THR 121 10.513 -18.825 -1.690 829 HG23 THR 121 2HG2 THR 121 10.771 -18.921 -3.433 830 H LEU 122 H LEU 122 10.400 -15.069 -4.899 831 HA LEU 122 HA LEU 122 8.170 -13.209 -4.589 832 HB2 LEU 122 1HB LEU 122 10.600 -13.216 -6.368 833 HB3 LEU 122 2HB LEU 122 9.307 -12.046 -6.535 834 HG LEU 122 HG LEU 122 10.974 -12.406 -4.045 835 HD11 LEU 122 1HD1 LEU 122 12.063 -10.330 -4.690 836 HD12 LEU 122 2HD1 LEU 122 11.116 -10.277 -6.178 837 HD13 LEU 122 3HD1 LEU 122 12.299 -11.563 -5.929 838 HD21 LEU 122 3HD2 LEU 122 8.762 -11.537 -3.572 839 HD22 LEU 122 1HD2 LEU 122 8.942 -10.322 -4.839 840 HD23 LEU 122 2HD2 LEU 122 9.961 -10.255 -3.401 841 H ARG 123 H ARG 123 6.471 -13.100 -5.958 842 HA ARG 123 HA ARG 123 6.589 -14.503 -8.502 843 HB2 ARG 123 1HB ARG 123 5.693 -16.135 -6.869 844 HB3 ARG 123 2HB ARG 123 4.398 -15.010 -6.484 845 HG2 ARG 123 1HG ARG 123 3.504 -15.190 -8.704 846 HG3 ARG 123 2HG ARG 123 4.875 -16.175 -9.218 847 HD2 ARG 123 1HD ARG 123 2.826 -16.921 -7.134 848 HD3 ARG 123 2HD ARG 123 2.924 -17.564 -8.774 849 HE ARG 123 HE ARG 123 5.332 -18.194 -7.855 850 HH11 ARG 123 1HH1 ARG 123 2.176 -18.573 -6.409 851 HH12 ARG 123 2HH1 ARG 123 2.648 -19.917 -5.417 852 HH21 ARG 123 1HH2 ARG 123 5.959 -19.987 -6.565 853 HH22 ARG 123 2HH2 ARG 123 4.794 -20.726 -5.514 854 H HIS 124 H HIS 124 6.163 -12.937 -9.856 855 HA HIS 124 HA HIS 124 4.953 -11.492 -11.097 856 HB2 HIS 124 1HB HIS 124 2.998 -12.885 -10.504 857 HB3 HIS 124 2HB HIS 124 2.739 -11.886 -9.080 858 HD1 HIS 124 HD1 HIS 124 3.160 -11.156 -12.805 859 HD2 HIS 124 HD2 HIS 124 0.774 -10.114 -9.563 860 HE1 HIS 124 HE1 HIS 124 1.481 -9.517 -13.701 861 HE2 HIS 124 HE2 HIS 124 -0.056 -9.042 -11.767 862 H TRP 125 H TRP 125 5.339 -9.405 -11.241 863 HA TRP 125 HA TRP 125 5.878 -7.800 -8.937 864 HB2 TRP 125 1HB TRP 125 5.535 -6.990 -11.836 865 HB3 TRP 125 2HB TRP 125 6.218 -5.981 -10.563 866 HD1 TRP 125 HD1 TRP 125 7.199 -8.473 -13.135 867 HE1 TRP 125 HE1 TRP 125 9.669 -9.140 -12.847 868 HE3 TRP 125 HE3 TRP 125 8.053 -6.435 -8.526 869 HZ2 TRP 125 HZ2 TRP 125 11.705 -8.842 -10.919 870 HZ3 TRP 125 HZ3 TRP 125 10.289 -6.674 -7.528 871 HH2 TRP 125 HH2 TRP 125 12.076 -7.854 -8.701 872 H LEU 126 H LEU 126 4.610 -6.141 -8.037 873 HA LEU 126 HA LEU 126 1.806 -6.828 -8.358 874 HB2 LEU 126 1HB LEU 126 3.368 -5.604 -6.171 875 HB3 LEU 126 2HB LEU 126 1.656 -5.234 -6.277 876 HG LEU 126 HG LEU 126 2.920 -7.884 -5.984 877 HD11 LEU 126 1HD1 LEU 126 1.395 -7.878 -3.918 878 HD12 LEU 126 2HD1 LEU 126 1.340 -6.133 -4.174 879 HD13 LEU 126 3HD1 LEU 126 2.881 -6.937 -3.876 880 HD21 LEU 126 3HD2 LEU 126 1.098 -8.292 -7.422 881 HD22 LEU 126 1HD2 LEU 126 0.058 -7.199 -6.507 882 HD23 LEU 126 2HD2 LEU 126 0.555 -8.738 -5.807 883 H LYS 127 H LYS 127 0.273 -5.337 -7.824 884 HA LYS 127 HA LYS 127 0.547 -2.552 -8.255 885 HB2 LYS 127 1HB LYS 127 -0.986 -2.422 -10.243 886 HB3 LYS 127 2HB LYS 127 0.636 -2.989 -10.593 887 HG2 LYS 127 1HG LYS 127 -0.067 -5.089 -11.135 888 HG3 LYS 127 2HG LYS 127 -1.470 -5.014 -10.069 889 HD2 LYS 127 1HD LYS 127 -2.145 -5.014 -12.418 890 HD3 LYS 127 2HD LYS 127 -2.592 -3.508 -11.627 891 HE2 LYS 127 1HE LYS 127 -0.033 -3.729 -13.171 892 HE3 LYS 127 2HE LYS 127 -1.558 -3.440 -14.000 893 HZ1 LYS 127 3HZ LYS 127 -1.856 -1.474 -12.525 894 HZ2 LYS 127 1HZ LYS 127 -0.530 -1.355 -13.574 895 HZ3 LYS 127 2HZ LYS 127 -0.285 -1.721 -11.945 896 H VAL 128 H VAL 128 -0.493 -2.549 -6.259 897 HA VAL 128 HA VAL 128 -3.308 -3.370 -6.349 898 HB VAL 128 HB VAL 128 -1.889 -4.876 -4.897 899 HG11 VAL 128 1HG1 VAL 128 -1.843 -2.418 -3.186 900 HG12 VAL 128 2HG1 VAL 128 -0.455 -3.261 -3.880 901 HG13 VAL 128 3HG1 VAL 128 -1.430 -4.042 -2.634 902 HG21 VAL 128 3HG2 VAL 128 -4.229 -3.413 -3.716 903 HG22 VAL 128 1HG2 VAL 128 -3.614 -4.974 -3.161 904 HG23 VAL 128 2HG2 VAL 128 -4.291 -4.822 -4.782 Start of MODEL 9 1 H1 GLY 13 1H GLY 13 7.528 3.913 26.568 2 H2 GLY 13 2H GLY 13 8.956 4.049 25.675 3 H3 GLY 13 3H GLY 13 8.624 2.627 26.520 4 HA2 GLY 13 1HA GLY 13 6.727 2.181 25.101 5 HA3 GLY 13 2HA GLY 13 7.073 3.663 24.219 6 H SER 14 H SER 14 6.961 1.612 22.645 7 HA SER 14 HA SER 14 9.688 1.330 21.751 8 HB2 SER 14 1HB SER 14 9.329 -0.617 23.310 9 HB3 SER 14 2HB SER 14 8.046 -1.170 22.234 10 HG SER 14 HG SER 14 9.851 -2.229 21.579 11 HA PRO 15 HA PRO 15 6.702 1.876 18.330 12 HB2 PRO 15 1HB PRO 15 8.282 3.465 16.829 13 HB3 PRO 15 2HB PRO 15 7.352 4.086 18.197 14 HG2 PRO 15 1HG PRO 15 10.252 3.369 18.046 15 HG3 PRO 15 2HG PRO 15 9.482 4.760 18.830 16 HD2 PRO 15 1HD PRO 15 10.301 2.526 20.174 17 HD3 PRO 15 2HD PRO 15 8.968 3.563 20.718 18 H GLY 16 H GLY 16 9.855 0.565 18.556 19 HA2 GLY 16 1HA GLY 16 10.829 -1.162 17.374 20 HA3 GLY 16 2HA GLY 16 9.404 -1.207 16.342 21 H ILE 17 H ILE 17 9.306 0.090 14.520 22 HA ILE 17 HA ILE 17 11.824 0.704 13.309 23 HB ILE 17 HB ILE 17 10.433 1.428 11.384 24 HG12 ILE 17 1HG1 ILE 17 8.270 1.132 13.426 25 HG13 ILE 17 2HG1 ILE 17 8.481 2.349 12.172 26 HG21 ILE 17 1HG2 ILE 17 9.702 -1.231 12.606 27 HG22 ILE 17 2HG2 ILE 17 11.104 -0.889 11.591 28 HG23 ILE 17 3HG2 ILE 17 9.479 -0.794 10.911 29 HD11 ILE 17 3HD1 ILE 17 7.730 0.800 10.488 30 HD12 ILE 17 1HD1 ILE 17 6.540 0.907 11.784 31 HD13 ILE 17 2HD1 ILE 17 7.614 -0.488 11.685 32 HA PRO 18 HA PRO 18 12.574 4.608 14.638 33 HB2 PRO 18 1HB PRO 18 13.486 6.050 12.528 34 HB3 PRO 18 2HB PRO 18 14.354 4.695 13.241 35 HG2 PRO 18 1HG PRO 18 12.716 4.774 10.758 36 HG3 PRO 18 2HG PRO 18 14.223 3.912 11.101 37 HD2 PRO 18 1HD PRO 18 11.747 2.772 11.102 38 HD3 PRO 18 2HD PRO 18 13.137 2.134 11.980 39 H VAL 19 H VAL 19 11.877 6.574 11.854 40 HA VAL 19 HA VAL 19 9.903 7.970 13.399 41 HB VAL 19 HB VAL 19 11.013 8.594 10.671 42 HG11 VAL 19 1HG1 VAL 19 8.895 9.641 11.063 43 HG12 VAL 19 2HG1 VAL 19 10.178 10.848 11.132 44 HG13 VAL 19 3HG1 VAL 19 9.450 10.245 12.620 45 HG21 VAL 19 3HG2 VAL 19 11.819 9.684 13.364 46 HG22 VAL 19 1HG2 VAL 19 12.459 10.197 11.804 47 HG23 VAL 19 2HG2 VAL 19 12.766 8.562 12.388 48 HA PRO 20 HA PRO 20 6.863 5.177 11.878 49 HB2 PRO 20 1HB PRO 20 4.689 6.810 12.503 50 HB3 PRO 20 2HB PRO 20 5.470 5.645 13.568 51 HG2 PRO 20 1HG PRO 20 5.886 8.590 13.372 52 HG3 PRO 20 2HG PRO 20 5.826 7.559 14.815 53 HD2 PRO 20 1HD PRO 20 8.154 8.415 13.868 54 HD3 PRO 20 2HD PRO 20 7.992 6.754 14.473 55 H GLY 21 H GLY 21 6.393 4.812 9.881 56 HA2 GLY 21 1HA GLY 21 5.347 7.015 8.212 57 HA3 GLY 21 2HA GLY 21 6.319 5.694 7.580 58 H LYS 22 H LYS 22 3.227 6.820 8.032 59 HA LYS 22 HA LYS 22 2.024 4.493 6.946 60 HB2 LYS 22 1HB LYS 22 0.564 3.907 8.832 61 HB3 LYS 22 2HB LYS 22 2.255 3.660 9.236 62 HG2 LYS 22 1HG LYS 22 2.286 5.734 10.495 63 HG3 LYS 22 2HG LYS 22 0.608 6.048 10.047 64 HD2 LYS 22 1HD LYS 22 -0.060 3.983 11.213 65 HD3 LYS 22 2HD LYS 22 1.617 3.732 11.697 66 HE2 LYS 22 1HE LYS 22 -0.135 6.068 12.451 67 HE3 LYS 22 2HE LYS 22 0.346 4.743 13.506 68 HZ1 LYS 22 3HZ LYS 22 2.638 5.445 13.306 69 HZ2 LYS 22 1HZ LYS 22 1.685 6.725 13.868 70 HZ3 LYS 22 2HZ LYS 22 2.198 6.699 12.259 71 H VAL 23 H VAL 23 0.121 4.993 6.009 72 HA VAL 23 HA VAL 23 -1.323 7.365 6.929 73 HB VAL 23 HB VAL 23 -1.642 8.256 4.676 74 HG11 VAL 23 1HG1 VAL 23 0.571 9.161 4.280 75 HG12 VAL 23 2HG1 VAL 23 1.285 7.889 5.271 76 HG13 VAL 23 3HG1 VAL 23 0.235 9.099 6.011 77 HG21 VAL 23 3HG2 VAL 23 -1.437 6.235 3.374 78 HG22 VAL 23 1HG2 VAL 23 0.271 6.111 3.788 79 HG23 VAL 23 2HG2 VAL 23 -0.299 7.448 2.788 80 H THR 24 H THR 24 -3.561 7.415 6.076 81 HA THR 24 HA THR 24 -4.452 4.713 5.331 82 HB THR 24 HB THR 24 -4.993 4.987 7.658 83 HG1 THR 24 HG1 THR 24 -6.874 4.134 7.286 84 HG21 THR 24 3HG2 THR 24 -4.926 7.429 7.797 85 HG22 THR 24 1HG2 THR 24 -6.423 6.797 8.480 86 HG23 THR 24 2HG2 THR 24 -6.426 7.529 6.875 87 H LEU 25 H LEU 25 -5.662 4.598 3.592 88 HA LEU 25 HA LEU 25 -7.027 7.006 2.602 89 HB2 LEU 25 1HB LEU 25 -5.338 5.077 0.999 90 HB3 LEU 25 2HB LEU 25 -6.427 6.239 0.281 91 HG LEU 25 HG LEU 25 -4.310 7.190 0.071 92 HD11 LEU 25 1HD1 LEU 25 -5.534 8.382 2.545 93 HD12 LEU 25 2HD1 LEU 25 -5.929 8.787 0.874 94 HD13 LEU 25 3HD1 LEU 25 -4.328 9.156 1.518 95 HD21 LEU 25 3HD2 LEU 25 -2.712 7.399 1.924 96 HD22 LEU 25 1HD2 LEU 25 -3.068 5.722 1.513 97 HD23 LEU 25 2HD2 LEU 25 -3.798 6.454 2.942 98 H GLN 26 H GLN 26 -8.172 5.980 0.388 99 HA GLN 26 HA GLN 26 -9.576 3.565 1.197 100 HB2 GLN 26 1HB GLN 26 -10.793 6.189 0.374 101 HB3 GLN 26 2HB GLN 26 -11.656 4.670 0.155 102 HG2 GLN 26 1HG GLN 26 -11.539 4.221 2.518 103 HG3 GLN 26 2HG GLN 26 -10.584 5.673 2.770 104 HE21 GLN 26 2HE2 GLN 26 -13.112 4.907 3.934 105 HE22 GLN 26 1HE2 GLN 26 -14.240 6.154 3.523 106 H LYS 27 H LYS 27 -10.369 2.375 -0.458 107 HA LYS 27 HA LYS 27 -8.720 1.870 -2.581 108 HB2 LYS 27 1HB LYS 27 -11.692 1.415 -2.650 109 HB3 LYS 27 2HB LYS 27 -10.462 0.482 -3.466 110 HG2 LYS 27 1HG LYS 27 -10.603 0.664 -0.484 111 HG3 LYS 27 2HG LYS 27 -11.494 -0.539 -1.408 112 HD2 LYS 27 1HD LYS 27 -8.939 -0.706 -2.419 113 HD3 LYS 27 2HD LYS 27 -8.692 -0.455 -0.697 114 HE2 LYS 27 1HE LYS 27 -8.853 -2.810 -1.110 115 HE3 LYS 27 2HE LYS 27 -10.289 -2.280 -0.237 116 HZ1 LYS 27 3HZ LYS 27 -11.513 -2.258 -2.319 117 HZ2 LYS 27 1HZ LYS 27 -10.845 -3.791 -2.052 118 HZ3 LYS 27 2HZ LYS 27 -10.131 -2.735 -3.169 119 H ASP 28 H ASP 28 -8.662 2.288 -4.676 120 HA ASP 28 HA ASP 28 -9.764 4.767 -5.663 121 HB2 ASP 28 1HB ASP 28 -7.427 4.116 -6.132 122 HB3 ASP 28 2HB ASP 28 -7.989 2.674 -6.959 123 H ALA 29 H ALA 29 -10.588 4.566 -8.113 124 HA ALA 29 HA ALA 29 -12.953 3.050 -8.172 125 HB1 ALA 29 3HB ALA 29 -13.080 3.651 -10.528 126 HB2 ALA 29 1HB ALA 29 -11.390 4.151 -10.506 127 HB3 ALA 29 2HB ALA 29 -12.585 5.040 -9.561 128 H GLN 30 H GLN 30 -9.688 2.203 -8.774 129 HA GLN 30 HA GLN 30 -10.318 -0.164 -10.329 130 HB2 GLN 30 1HB GLN 30 -8.121 1.521 -9.977 131 HB3 GLN 30 2HB GLN 30 -7.636 -0.031 -9.335 132 HG2 GLN 30 1HG GLN 30 -8.419 -1.050 -11.496 133 HG3 GLN 30 2HG GLN 30 -8.584 0.591 -12.113 134 HE21 GLN 30 2HE2 GLN 30 -6.402 -1.893 -11.128 135 HE22 GLN 30 1HE2 GLN 30 -4.959 -1.165 -11.744 136 H ASN 31 H ASN 31 -10.579 0.679 -7.242 137 HA ASN 31 HA ASN 31 -11.127 -0.475 -5.375 138 HB2 ASN 31 1HB ASN 31 -12.158 -2.391 -5.790 139 HB3 ASN 31 2HB ASN 31 -11.564 -2.297 -7.427 140 HD21 ASN 31 2HD2 ASN 31 -11.642 -4.094 -4.616 141 HD22 ASN 31 1HD2 ASN 31 -10.451 -5.268 -5.044 142 H LEU 32 H LEU 32 -8.323 0.106 -6.345 143 HA LEU 32 HA LEU 32 -6.965 -1.321 -4.168 144 HB2 LEU 32 1HB LEU 32 -4.888 -1.232 -5.698 145 HB3 LEU 32 2HB LEU 32 -6.095 -2.452 -5.985 146 HG LEU 32 HG LEU 32 -7.023 -1.127 -7.843 147 HD11 LEU 32 1HD1 LEU 32 -5.729 0.744 -8.754 148 HD12 LEU 32 2HD1 LEU 32 -4.668 0.686 -7.347 149 HD13 LEU 32 3HD1 LEU 32 -6.371 1.102 -7.152 150 HD21 LEU 32 3HD2 LEU 32 -5.212 -1.550 -9.406 151 HD22 LEU 32 1HD2 LEU 32 -5.376 -2.875 -8.254 152 HD23 LEU 32 2HD2 LEU 32 -4.076 -1.698 -8.065 153 H ILE 33 H ILE 33 -4.421 -0.015 -4.458 154 HA ILE 33 HA ILE 33 -5.294 2.666 -3.680 155 HB ILE 33 HB ILE 33 -2.571 2.151 -2.966 156 HG12 ILE 33 1HG1 ILE 33 -4.571 0.158 -1.856 157 HG13 ILE 33 2HG1 ILE 33 -3.320 -0.251 -3.034 158 HG21 ILE 33 1HG2 ILE 33 -3.924 3.824 -1.936 159 HG22 ILE 33 2HG2 ILE 33 -3.541 2.616 -0.709 160 HG23 ILE 33 3HG2 ILE 33 -5.136 2.630 -1.470 161 HD11 ILE 33 3HD1 ILE 33 -2.704 -0.866 -0.744 162 HD12 ILE 33 1HD1 ILE 33 -2.839 0.821 -0.250 163 HD13 ILE 33 2HD1 ILE 33 -1.604 0.339 -1.414 164 H GLY 34 H GLY 34 -3.362 0.931 -5.969 165 HA2 GLY 34 1HA GLY 34 -2.752 1.944 -8.038 166 HA3 GLY 34 2HA GLY 34 -2.747 3.519 -7.251 167 H ILE 35 H ILE 35 -1.146 0.595 -6.089 168 HA ILE 35 HA ILE 35 1.479 1.896 -6.586 169 HB ILE 35 HB ILE 35 2.276 0.835 -4.469 170 HG12 ILE 35 1HG1 ILE 35 0.141 0.589 -2.847 171 HG13 ILE 35 2HG1 ILE 35 -0.569 0.045 -4.359 172 HG21 ILE 35 1HG2 ILE 35 1.245 2.533 -2.980 173 HG22 ILE 35 2HG2 ILE 35 0.124 2.924 -4.287 174 HG23 ILE 35 3HG2 ILE 35 1.857 3.178 -4.503 175 HD11 ILE 35 3HD1 ILE 35 1.121 -1.667 -4.569 176 HD12 ILE 35 1HD1 ILE 35 0.250 -1.801 -3.041 177 HD13 ILE 35 2HD1 ILE 35 1.876 -1.111 -3.070 178 H SER 36 H SER 36 3.262 0.419 -6.405 179 HA SER 36 HA SER 36 2.638 -2.355 -7.046 180 HB2 SER 36 1HB SER 36 4.483 -0.532 -8.589 181 HB3 SER 36 2HB SER 36 4.567 -2.295 -8.696 182 HG SER 36 HG SER 36 2.118 -1.920 -9.019 183 H ILE 37 H ILE 37 3.821 -3.763 -6.026 184 HA ILE 37 HA ILE 37 6.025 -2.711 -4.376 185 HB ILE 37 HB ILE 37 4.007 -4.825 -3.644 186 HG12 ILE 37 1HG1 ILE 37 4.646 -2.138 -2.413 187 HG13 ILE 37 2HG1 ILE 37 3.246 -2.496 -3.418 188 HG21 ILE 37 1HG2 ILE 37 6.448 -3.921 -2.120 189 HG22 ILE 37 2HG2 ILE 37 6.193 -5.511 -2.839 190 HG23 ILE 37 3HG2 ILE 37 5.188 -4.982 -1.489 191 HD11 ILE 37 3HD1 ILE 37 2.643 -2.456 -1.073 192 HD12 ILE 37 1HD1 ILE 37 3.847 -3.697 -0.725 193 HD13 ILE 37 2HD1 ILE 37 2.453 -4.081 -1.732 194 H GLY 38 H GLY 38 7.890 -3.615 -4.533 195 HA2 GLY 38 1HA GLY 38 8.142 -6.376 -5.489 196 HA3 GLY 38 2HA GLY 38 9.113 -5.104 -6.224 197 H GLY 39 H GLY 39 9.368 -7.534 -4.144 198 HA2 GLY 39 1HA GLY 39 10.666 -6.247 -1.931 199 HA3 GLY 39 2HA GLY 39 10.627 -7.976 -2.260 200 H GLY 40 H GLY 40 12.605 -5.341 -2.074 201 HA2 GLY 40 1HA GLY 40 14.348 -5.768 -4.266 202 HA3 GLY 40 2HA GLY 40 14.723 -4.869 -2.803 203 H ALA 41 H ALA 41 16.851 -5.862 -3.205 204 HA ALA 41 HA ALA 41 17.240 -8.650 -3.111 205 HB1 ALA 41 3HB ALA 41 18.905 -7.079 -3.984 206 HB2 ALA 41 1HB ALA 41 19.587 -8.162 -2.773 207 HB3 ALA 41 2HB ALA 41 19.200 -6.495 -2.348 208 H GLN 42 H GLN 42 16.499 -6.450 -0.621 209 HA GLN 42 HA GLN 42 16.236 -6.595 1.623 210 HB2 GLN 42 1HB GLN 42 16.756 -9.540 1.198 211 HB3 GLN 42 2HB GLN 42 16.215 -8.824 2.710 212 HG2 GLN 42 1HG GLN 42 14.707 -8.719 0.109 213 HG3 GLN 42 2HG GLN 42 14.396 -9.855 1.420 214 HE21 GLN 42 2HE2 GLN 42 12.318 -9.141 1.723 215 HE22 GLN 42 1HE2 GLN 42 11.944 -7.612 2.438 216 H TYR 43 H TYR 43 18.922 -8.584 0.533 217 HA TYR 43 HA TYR 43 20.683 -8.330 2.645 218 HB2 TYR 43 1HB TYR 43 20.930 -9.778 0.632 219 HB3 TYR 43 2HB TYR 43 21.320 -8.353 -0.315 220 HD1 TYR 43 HD2 TYR 43 22.508 -10.635 2.312 221 HD2 TYR 43 HD1 TYR 43 23.514 -7.381 -0.236 222 HE1 TYR 43 HE2 TYR 43 24.886 -10.971 2.830 223 HE2 TYR 43 HE1 TYR 43 25.895 -7.711 0.270 224 HH TYR 43 HH TYR 43 27.080 -10.495 1.790 225 H CYS 44 H CYS 44 19.507 -5.870 0.596 226 HA CYS 44 HA CYS 44 21.404 -3.997 1.708 227 HB2 CYS 44 1HB CYS 44 21.255 -4.646 -1.200 228 HB3 CYS 44 2HB CYS 44 21.695 -3.024 -0.698 229 HG CYS 44 HG CYS 44 23.392 -5.407 0.907 230 HA PRO 45 HA PRO 45 18.268 -1.129 -0.018 231 HB2 PRO 45 1HB PRO 45 16.887 -1.522 -2.251 232 HB3 PRO 45 2HB PRO 45 18.644 -1.364 -2.273 233 HG2 PRO 45 1HG PRO 45 16.967 -3.788 -2.604 234 HG3 PRO 45 2HG PRO 45 18.564 -3.423 -3.275 235 HD2 PRO 45 1HD PRO 45 17.948 -4.970 -0.945 236 HD3 PRO 45 2HD PRO 45 19.544 -4.555 -1.585 237 H CYS 46 H CYS 46 16.390 -4.150 -0.303 238 HA CYS 46 HA CYS 46 14.412 -4.827 0.562 239 HB2 CYS 46 1HB CYS 46 14.497 -2.275 2.169 240 HB3 CYS 46 2HB CYS 46 13.407 -3.628 2.447 241 HG CYS 46 HG CYS 46 15.251 -5.377 3.367 242 H LEU 47 H LEU 47 13.941 -1.300 0.391 243 HA LEU 47 HA LEU 47 12.483 0.048 -0.619 244 HB2 LEU 47 1HB LEU 47 11.742 -0.720 -3.017 245 HB3 LEU 47 2HB LEU 47 13.358 -0.140 -2.686 246 HG LEU 47 HG LEU 47 12.939 -3.070 -2.506 247 HD11 LEU 47 1HD1 LEU 47 12.999 -1.584 -5.128 248 HD12 LEU 47 2HD1 LEU 47 11.686 -2.597 -4.522 249 HD13 LEU 47 3HD1 LEU 47 13.245 -3.321 -4.934 250 HD21 LEU 47 3HD2 LEU 47 15.077 -1.252 -3.572 251 HD22 LEU 47 1HD2 LEU 47 15.148 -3.012 -3.634 252 HD23 LEU 47 2HD2 LEU 47 15.101 -2.187 -2.077 253 H TYR 48 H TYR 48 11.116 -3.071 -1.661 254 HA TYR 48 HA TYR 48 9.009 -3.801 -1.792 255 HB2 TYR 48 1HB TYR 48 8.664 -1.969 0.557 256 HB3 TYR 48 2HB TYR 48 7.315 -2.892 -0.109 257 HD1 TYR 48 HD2 TYR 48 10.803 -3.325 1.094 258 HD2 TYR 48 HD1 TYR 48 6.959 -5.071 0.619 259 HE1 TYR 48 HE2 TYR 48 11.567 -5.303 2.301 260 HE2 TYR 48 HE1 TYR 48 7.711 -7.068 1.838 261 HH TYR 48 HH TYR 48 9.877 -8.220 2.325 262 H ILE 49 H ILE 49 8.290 -0.266 -1.169 263 HA ILE 49 HA ILE 49 6.405 -0.573 -3.349 264 HB ILE 49 HB ILE 49 5.981 0.851 -1.232 265 HG12 ILE 49 1HG1 ILE 49 4.632 0.677 -3.435 266 HG13 ILE 49 2HG1 ILE 49 4.294 2.014 -2.342 267 HG21 ILE 49 1HG2 ILE 49 7.426 2.894 -2.900 268 HG22 ILE 49 2HG2 ILE 49 7.965 2.255 -1.345 269 HG23 ILE 49 3HG2 ILE 49 6.493 3.222 -1.438 270 HD11 ILE 49 3HD1 ILE 49 4.340 2.832 -4.592 271 HD12 ILE 49 1HD1 ILE 49 5.922 2.102 -4.872 272 HD13 ILE 49 2HD1 ILE 49 5.762 3.449 -3.743 273 H VAL 50 H VAL 50 6.996 -0.502 -5.350 274 HA VAL 50 HA VAL 50 9.570 0.732 -5.984 275 HB VAL 50 HB VAL 50 9.487 -0.618 -8.071 276 HG11 VAL 50 1HG1 VAL 50 9.206 -2.160 -5.495 277 HG12 VAL 50 2HG1 VAL 50 10.685 -1.434 -6.125 278 HG13 VAL 50 3HG1 VAL 50 9.926 -2.774 -6.983 279 HG21 VAL 50 3HG2 VAL 50 7.033 -1.845 -6.822 280 HG22 VAL 50 1HG2 VAL 50 7.866 -2.437 -8.259 281 HG23 VAL 50 2HG2 VAL 50 7.074 -0.861 -8.285 282 H GLN 51 H GLN 51 6.173 1.120 -6.638 283 HA GLN 51 HA GLN 51 6.693 3.361 -8.321 284 HB2 GLN 51 1HB GLN 51 6.839 2.234 -10.260 285 HB3 GLN 51 2HB GLN 51 6.323 0.730 -9.512 286 HG2 GLN 51 1HG GLN 51 3.993 1.450 -9.722 287 HG3 GLN 51 2HG GLN 51 4.530 2.922 -10.530 288 HE21 GLN 51 2HE2 GLN 51 2.812 0.770 -11.491 289 HE22 GLN 51 1HE2 GLN 51 3.557 0.180 -12.931 290 H VAL 52 H VAL 52 4.923 4.638 -8.539 291 HA VAL 52 HA VAL 52 2.327 3.614 -7.671 292 HB VAL 52 HB VAL 52 3.480 4.759 -5.736 293 HG11 VAL 52 1HG1 VAL 52 4.697 6.486 -6.767 294 HG12 VAL 52 2HG1 VAL 52 3.415 7.287 -5.840 295 HG13 VAL 52 3HG1 VAL 52 3.260 7.103 -7.588 296 HG21 VAL 52 3HG2 VAL 52 0.906 5.909 -6.773 297 HG22 VAL 52 1HG2 VAL 52 1.519 6.176 -5.140 298 HG23 VAL 52 2HG2 VAL 52 1.108 4.547 -5.677 299 H PHE 53 H PHE 53 0.579 5.072 -8.395 300 HA PHE 53 HA PHE 53 1.300 6.315 -10.922 301 HB2 PHE 53 1HB PHE 53 -1.411 5.833 -9.668 302 HB3 PHE 53 2HB PHE 53 -1.139 6.470 -11.289 303 HD1 PHE 53 HD1 PHE 53 0.704 4.927 -12.614 304 HD2 PHE 53 HD2 PHE 53 -2.013 3.609 -9.622 305 HE1 PHE 53 HE1 PHE 53 0.856 2.631 -13.488 306 HE2 PHE 53 HE2 PHE 53 -1.877 1.318 -10.496 307 HZ PHE 53 HZ PHE 53 -0.440 0.826 -12.431 308 H ASP 54 H ASP 54 -1.219 8.181 -10.367 309 HA ASP 54 HA ASP 54 0.200 10.041 -8.581 310 HB2 ASP 54 1HB ASP 54 0.659 10.496 -11.031 311 HB3 ASP 54 2HB ASP 54 -1.035 10.949 -11.174 312 H ASN 55 H ASN 55 -2.827 9.130 -10.065 313 HA ASN 55 HA ASN 55 -4.246 11.131 -8.509 314 HB2 ASN 55 1HB ASN 55 -4.913 9.719 -11.063 315 HB3 ASN 55 2HB ASN 55 -6.182 10.454 -10.094 316 HD21 ASN 55 2HD2 ASN 55 -2.936 11.723 -10.412 317 HD22 ASN 55 1HD2 ASN 55 -3.378 13.122 -11.311 318 H THR 56 H THR 56 -3.201 8.289 -7.959 319 HA THR 56 HA THR 56 -5.676 6.966 -7.158 320 HB THR 56 HB THR 56 -4.302 5.028 -6.695 321 HG1 THR 56 HG1 THR 56 -2.212 5.188 -6.313 322 HG21 THR 56 3HG2 THR 56 -3.314 6.329 -9.218 323 HG22 THR 56 1HG2 THR 56 -4.844 5.470 -9.055 324 HG23 THR 56 2HG2 THR 56 -3.324 4.608 -8.859 325 HA PRO 57 HA PRO 57 -5.673 8.533 -3.107 326 HB2 PRO 57 1HB PRO 57 -5.713 6.141 -1.614 327 HB3 PRO 57 2HB PRO 57 -7.118 7.033 -2.189 328 HG2 PRO 57 1HG PRO 57 -5.778 4.649 -3.368 329 HG3 PRO 57 2HG PRO 57 -7.498 5.071 -3.335 330 HD2 PRO 57 1HD PRO 57 -6.056 5.352 -5.561 331 HD3 PRO 57 2HD PRO 57 -7.298 6.544 -5.120 332 H ALA 58 H ALA 58 -3.624 5.705 -3.557 333 HA ALA 58 HA ALA 58 -1.799 6.066 -1.488 334 HB1 ALA 58 3HB ALA 58 -1.271 4.907 -4.216 335 HB2 ALA 58 1HB ALA 58 -1.954 4.037 -2.843 336 HB3 ALA 58 2HB ALA 58 -0.303 4.649 -2.764 337 H ALA 59 H ALA 59 -1.469 7.150 -4.910 338 HA ALA 59 HA ALA 59 0.953 8.603 -4.314 339 HB1 ALA 59 3HB ALA 59 -0.892 8.689 -6.700 340 HB2 ALA 59 1HB ALA 59 0.586 7.743 -6.538 341 HB3 ALA 59 2HB ALA 59 0.673 9.500 -6.599 342 H LEU 60 H LEU 60 -2.299 9.496 -5.250 343 HA LEU 60 HA LEU 60 -2.394 12.179 -5.203 344 HB2 LEU 60 1HB LEU 60 -4.129 10.312 -5.546 345 HB3 LEU 60 2HB LEU 60 -4.463 10.485 -3.838 346 HG LEU 60 HG LEU 60 -6.105 11.624 -5.218 347 HD11 LEU 60 1HD1 LEU 60 -5.695 12.508 -3.002 348 HD12 LEU 60 2HD1 LEU 60 -6.074 13.812 -4.128 349 HD13 LEU 60 3HD1 LEU 60 -4.406 13.533 -3.629 350 HD21 LEU 60 3HD2 LEU 60 -3.909 13.491 -6.062 351 HD22 LEU 60 1HD2 LEU 60 -5.581 13.461 -6.620 352 HD23 LEU 60 2HD2 LEU 60 -4.481 12.149 -7.044 353 H ASP 61 H ASP 61 -3.639 10.509 -2.313 354 HA ASP 61 HA ASP 61 -2.872 12.850 -0.737 355 HB2 ASP 61 1HB ASP 61 -5.223 12.123 -0.632 356 HB3 ASP 61 2HB ASP 61 -4.706 10.564 0.002 357 H GLY 62 H GLY 62 -2.347 9.420 -0.984 358 HA2 GLY 62 1HA GLY 62 -1.452 9.020 1.685 359 HA3 GLY 62 2HA GLY 62 -1.226 7.909 0.348 360 H THR 63 H THR 63 0.188 9.991 -1.178 361 HA THR 63 HA THR 63 2.302 10.457 -1.742 362 HB THR 63 HB THR 63 1.866 12.225 -0.006 363 HG1 THR 63 HG1 THR 63 4.602 11.465 -0.168 364 HG21 THR 63 3HG2 THR 63 3.110 12.126 2.082 365 HG22 THR 63 1HG2 THR 63 3.659 10.496 1.692 366 HG23 THR 63 2HG2 THR 63 1.949 10.802 1.990 367 H VAL 64 H VAL 64 1.704 7.760 -0.807 368 HA VAL 64 HA VAL 64 4.218 6.798 0.302 369 HB VAL 64 HB VAL 64 3.146 4.559 0.148 370 HG11 VAL 64 1HG1 VAL 64 1.496 6.699 1.486 371 HG12 VAL 64 2HG1 VAL 64 2.905 5.882 2.171 372 HG13 VAL 64 3HG1 VAL 64 1.431 4.974 1.847 373 HG21 VAL 64 3HG2 VAL 64 0.732 6.094 -0.800 374 HG22 VAL 64 1HG2 VAL 64 0.828 4.357 -0.502 375 HG23 VAL 64 2HG2 VAL 64 1.747 5.082 -1.826 376 H ALA 65 H ALA 65 4.838 8.013 -1.889 377 HA ALA 65 HA ALA 65 4.446 6.434 -4.258 378 HB1 ALA 65 3HB ALA 65 5.995 8.983 -3.829 379 HB2 ALA 65 1HB ALA 65 4.324 8.860 -4.376 380 HB3 ALA 65 2HB ALA 65 5.631 8.251 -5.392 381 H ALA 66 H ALA 66 6.484 6.343 -5.727 382 HA ALA 66 HA ALA 66 8.024 4.250 -4.855 383 HB1 ALA 66 3HB ALA 66 9.300 4.529 -6.833 384 HB2 ALA 66 1HB ALA 66 8.910 6.249 -6.917 385 HB3 ALA 66 2HB ALA 66 7.652 5.048 -7.204 386 H GLY 67 H GLY 67 9.553 4.097 -3.363 387 HA2 GLY 67 1HA GLY 67 11.844 4.889 -2.795 388 HA3 GLY 67 2HA GLY 67 11.164 6.509 -2.793 389 H ASP 68 H ASP 68 8.873 4.458 -1.513 390 HA ASP 68 HA ASP 68 9.844 4.967 1.223 391 HB2 ASP 68 1HB ASP 68 7.208 5.119 0.020 392 HB3 ASP 68 2HB ASP 68 7.211 4.089 1.437 393 H GLU 69 H GLU 69 9.308 3.304 2.837 394 HA GLU 69 HA GLU 69 9.755 0.653 1.647 395 HB2 GLU 69 1HB GLU 69 10.189 1.440 4.529 396 HB3 GLU 69 2HB GLU 69 10.793 0.013 3.702 397 HG2 GLU 69 1HG GLU 69 11.654 2.849 3.200 398 HG3 GLU 69 2HG GLU 69 12.556 1.634 4.099 399 H ILE 70 H ILE 70 8.347 -1.003 2.067 400 HA ILE 70 HA ILE 70 6.003 -0.371 3.769 401 HB ILE 70 HB ILE 70 5.995 -2.269 1.425 402 HG12 ILE 70 1HG1 ILE 70 6.443 0.008 0.615 403 HG13 ILE 70 2HG1 ILE 70 4.848 -0.550 0.129 404 HG21 ILE 70 1HG2 ILE 70 4.291 -2.689 3.108 405 HG22 ILE 70 2HG2 ILE 70 3.570 -2.105 1.609 406 HG23 ILE 70 3HG2 ILE 70 3.748 -1.016 2.983 407 HD11 ILE 70 3HD1 ILE 70 5.461 1.332 2.389 408 HD12 ILE 70 1HD1 ILE 70 3.855 0.761 1.935 409 HD13 ILE 70 2HD1 ILE 70 4.784 1.764 0.817 410 H THR 71 H THR 71 5.491 -1.852 5.381 411 HA THR 71 HA THR 71 6.893 -4.432 5.303 412 HB THR 71 HB THR 71 8.158 -2.902 6.789 413 HG1 THR 71 HG1 THR 71 8.492 -4.898 7.492 414 HG21 THR 71 3HG2 THR 71 7.280 -2.091 8.856 415 HG22 THR 71 1HG2 THR 71 5.767 -2.984 8.631 416 HG23 THR 71 2HG2 THR 71 6.154 -1.613 7.587 417 H GLY 72 H GLY 72 4.008 -2.682 5.999 418 HA2 GLY 72 1HA GLY 72 2.777 -5.220 6.820 419 HA3 GLY 72 2HA GLY 72 2.518 -3.785 7.795 420 H VAL 73 H VAL 73 0.841 -5.642 6.066 421 HA VAL 73 HA VAL 73 -0.518 -3.630 4.444 422 HB VAL 73 HB VAL 73 -0.305 -5.434 3.001 423 HG11 VAL 73 1HG1 VAL 73 -0.112 -7.732 3.630 424 HG12 VAL 73 2HG1 VAL 73 -0.693 -7.397 5.258 425 HG13 VAL 73 3HG1 VAL 73 0.897 -6.817 4.756 426 HG21 VAL 73 3HG2 VAL 73 -2.671 -5.089 3.302 427 HG22 VAL 73 1HG2 VAL 73 -2.657 -6.160 4.704 428 HG23 VAL 73 2HG2 VAL 73 -2.350 -6.813 3.089 429 H ASN 74 H ASN 74 -2.303 -2.760 5.342 430 HA ASN 74 HA ASN 74 -4.119 -2.438 6.673 431 HB2 ASN 74 1HB ASN 74 -4.878 -4.478 5.403 432 HB3 ASN 74 2HB ASN 74 -4.330 -5.451 6.751 433 HD21 ASN 74 2HD2 ASN 74 -6.670 -3.129 5.687 434 HD22 ASN 74 1HD2 ASN 74 -7.785 -3.399 6.970 435 H GLY 75 H GLY 75 -1.386 -2.952 7.788 436 HA2 GLY 75 1HA GLY 75 -0.823 -2.342 10.024 437 HA3 GLY 75 2HA GLY 75 -2.275 -3.158 10.575 438 H ARG 76 H ARG 76 -1.436 -5.511 8.690 439 HA ARG 76 HA ARG 76 0.347 -6.673 10.679 440 HB2 ARG 76 1HB ARG 76 -0.544 -8.791 9.503 441 HB3 ARG 76 2HB ARG 76 -1.556 -7.954 10.651 442 HG2 ARG 76 1HG ARG 76 -2.580 -6.794 8.651 443 HG3 ARG 76 2HG ARG 76 -1.739 -7.992 7.663 444 HD2 ARG 76 1HD ARG 76 -4.009 -8.722 8.097 445 HD3 ARG 76 2HD ARG 76 -2.866 -9.783 8.919 446 HE ARG 76 HE ARG 76 -3.834 -7.634 10.565 447 HH11 ARG 76 1HH1 ARG 76 -4.483 -10.883 9.437 448 HH12 ARG 76 2HH1 ARG 76 -5.456 -11.293 10.814 449 HH21 ARG 76 1HH2 ARG 76 -5.121 -8.168 12.358 450 HH22 ARG 76 2HH2 ARG 76 -5.828 -9.750 12.469 451 H SER 77 H SER 77 2.244 -7.624 10.110 452 HA SER 77 HA SER 77 3.647 -6.499 7.994 453 HB2 SER 77 1HB SER 77 4.648 -7.462 10.074 454 HB3 SER 77 2HB SER 77 4.354 -9.071 9.416 455 HG SER 77 HG SER 77 6.070 -7.048 8.423 456 H ILE 78 H ILE 78 4.311 -7.185 6.010 457 HA ILE 78 HA ILE 78 2.483 -8.943 4.637 458 HB ILE 78 HB ILE 78 3.511 -8.330 2.617 459 HG12 ILE 78 1HG1 ILE 78 5.852 -8.826 3.321 460 HG13 ILE 78 2HG1 ILE 78 5.685 -7.392 2.325 461 HG21 ILE 78 1HG2 ILE 78 2.309 -6.477 3.490 462 HG22 ILE 78 2HG2 ILE 78 3.779 -5.852 2.746 463 HG23 ILE 78 3HG2 ILE 78 3.670 -5.995 4.501 464 HD11 ILE 78 3HD1 ILE 78 6.075 -7.457 5.305 465 HD12 ILE 78 1HD1 ILE 78 5.864 -5.999 4.335 466 HD13 ILE 78 2HD1 ILE 78 7.281 -7.020 4.094 467 H LYS 79 H LYS 79 5.384 -9.186 6.262 468 HA LYS 79 HA LYS 79 6.756 -11.226 4.916 469 HB2 LYS 79 1HB LYS 79 7.725 -9.734 6.607 470 HB3 LYS 79 2HB LYS 79 6.713 -10.464 7.840 471 HG2 LYS 79 1HG LYS 79 7.877 -12.651 7.285 472 HG3 LYS 79 2HG LYS 79 9.021 -11.689 6.353 473 HD2 LYS 79 1HD LYS 79 8.442 -11.415 9.303 474 HD3 LYS 79 2HD LYS 79 9.876 -12.145 8.590 475 HE2 LYS 79 1HE LYS 79 10.606 -10.019 9.161 476 HE3 LYS 79 2HE LYS 79 10.203 -9.846 7.457 477 HZ1 LYS 79 3HZ LYS 79 8.451 -9.062 9.721 478 HZ2 LYS 79 1HZ LYS 79 8.099 -8.854 8.081 479 HZ3 LYS 79 2HZ LYS 79 9.374 -7.999 8.786 480 H GLY 80 H GLY 80 3.951 -11.249 6.900 481 HA2 GLY 80 1HA GLY 80 4.137 -14.015 7.676 482 HA3 GLY 80 2HA GLY 80 2.748 -12.959 7.889 483 H LYS 81 H LYS 81 3.143 -12.366 4.843 484 HA LYS 81 HA LYS 81 1.694 -14.775 3.934 485 HB2 LYS 81 1HB LYS 81 1.280 -12.043 2.729 486 HB3 LYS 81 2HB LYS 81 0.261 -13.463 2.583 487 HG2 LYS 81 1HG LYS 81 -0.913 -11.966 3.889 488 HG3 LYS 81 2HG LYS 81 -0.259 -13.142 5.039 489 HD2 LYS 81 1HD LYS 81 1.621 -11.581 5.439 490 HD3 LYS 81 2HD LYS 81 0.817 -10.394 4.418 491 HE2 LYS 81 1HE LYS 81 0.411 -10.033 6.844 492 HE3 LYS 81 2HE LYS 81 -1.063 -10.291 5.914 493 HZ1 LYS 81 3HZ LYS 81 -1.120 -12.571 6.678 494 HZ2 LYS 81 1HZ LYS 81 -1.076 -11.522 8.001 495 HZ3 LYS 81 2HZ LYS 81 0.316 -12.356 7.542 496 H THR 82 H THR 82 1.595 -13.133 1.410 497 HA THR 82 HA THR 82 4.299 -13.045 0.422 498 HB THR 82 HB THR 82 3.520 -14.376 -1.664 499 HG1 THR 82 HG1 THR 82 1.704 -15.382 0.303 500 HG21 THR 82 3HG2 THR 82 5.279 -15.181 -0.181 501 HG22 THR 82 1HG2 THR 82 4.254 -16.514 -0.709 502 HG23 THR 82 2HG2 THR 82 4.071 -15.849 0.914 503 H LYS 83 H LYS 83 4.262 -12.057 -1.802 504 HA LYS 83 HA LYS 83 2.920 -9.691 -1.906 505 HB2 LYS 83 1HB LYS 83 3.312 -10.830 -4.565 506 HB3 LYS 83 2HB LYS 83 4.035 -9.405 -3.834 507 HG2 LYS 83 1HG LYS 83 5.545 -10.948 -2.574 508 HG3 LYS 83 2HG LYS 83 4.927 -12.254 -3.569 509 HD2 LYS 83 1HD LYS 83 6.985 -11.467 -4.515 510 HD3 LYS 83 2HD LYS 83 5.651 -11.012 -5.576 511 HE2 LYS 83 1HE LYS 83 5.685 -8.752 -4.685 512 HE3 LYS 83 2HE LYS 83 6.965 -9.199 -3.556 513 HZ1 LYS 83 3HZ LYS 83 8.403 -9.652 -5.414 514 HZ2 LYS 83 1HZ LYS 83 7.817 -8.074 -5.521 515 HZ3 LYS 83 2HZ LYS 83 7.173 -9.280 -6.507 516 H VAL 84 H VAL 84 2.008 -12.639 -3.637 517 HA VAL 84 HA VAL 84 -0.226 -11.669 -4.921 518 HB VAL 84 HB VAL 84 0.813 -13.745 -5.541 519 HG11 VAL 84 1HG1 VAL 84 1.531 -14.449 -3.311 520 HG12 VAL 84 2HG1 VAL 84 0.691 -15.743 -4.165 521 HG13 VAL 84 3HG1 VAL 84 -0.137 -14.835 -2.900 522 HG21 VAL 84 3HG2 VAL 84 -1.504 -13.536 -6.099 523 HG22 VAL 84 1HG2 VAL 84 -1.969 -14.167 -4.522 524 HG23 VAL 84 2HG2 VAL 84 -1.143 -15.208 -5.680 525 H GLU 85 H GLU 85 0.074 -12.930 -1.654 526 HA GLU 85 HA GLU 85 -2.747 -12.993 -1.177 527 HB2 GLU 85 1HB GLU 85 -0.482 -13.003 0.819 528 HB3 GLU 85 2HB GLU 85 -2.148 -13.465 1.134 529 HG2 GLU 85 1HG GLU 85 -1.882 -15.306 -0.503 530 HG3 GLU 85 2HG GLU 85 -0.180 -14.880 -0.637 531 H VAL 86 H VAL 86 -0.114 -10.802 -0.226 532 HA VAL 86 HA VAL 86 -1.648 -9.145 1.391 533 HB VAL 86 HB VAL 86 0.052 -7.466 1.161 534 HG11 VAL 86 1HG1 VAL 86 1.818 -8.677 2.127 535 HG12 VAL 86 2HG1 VAL 86 1.460 -10.118 1.178 536 HG13 VAL 86 3HG1 VAL 86 0.376 -9.623 2.486 537 HG21 VAL 86 3HG2 VAL 86 1.172 -9.157 -1.047 538 HG22 VAL 86 1HG2 VAL 86 2.012 -7.808 -0.283 539 HG23 VAL 86 2HG2 VAL 86 0.526 -7.522 -1.190 540 H ALA 87 H ALA 87 -0.974 -8.748 -2.095 541 HA ALA 87 HA ALA 87 -2.519 -6.425 -2.497 542 HB1 ALA 87 3HB ALA 87 -1.163 -7.169 -4.284 543 HB2 ALA 87 1HB ALA 87 -2.836 -7.244 -4.827 544 HB3 ALA 87 2HB ALA 87 -1.990 -8.727 -4.363 545 H LYS 88 H LYS 88 -3.475 -9.837 -2.296 546 HA LYS 88 HA LYS 88 -6.206 -9.440 -2.900 547 HB2 LYS 88 1HB LYS 88 -5.262 -11.672 -2.839 548 HB3 LYS 88 2HB LYS 88 -4.924 -11.505 -1.121 549 HG2 LYS 88 1HG LYS 88 -7.225 -11.466 -0.600 550 HG3 LYS 88 2HG LYS 88 -7.675 -11.326 -2.288 551 HD2 LYS 88 1HD LYS 88 -8.036 -13.590 -1.559 552 HD3 LYS 88 2HD LYS 88 -6.686 -13.527 -2.699 553 HE2 LYS 88 1HE LYS 88 -5.123 -13.517 -0.841 554 HE3 LYS 88 2HE LYS 88 -6.456 -13.601 0.301 555 HZ1 LYS 88 3HZ LYS 88 -7.068 -15.746 -0.652 556 HZ2 LYS 88 1HZ LYS 88 -5.493 -15.771 -0.040 557 HZ3 LYS 88 2HZ LYS 88 -5.752 -15.671 -1.706 558 H MET 89 H MET 89 -4.462 -9.616 0.176 559 HA MET 89 HA MET 89 -6.453 -9.156 1.996 560 HB2 MET 89 1HB MET 89 -3.663 -8.048 1.988 561 HB3 MET 89 2HB MET 89 -4.695 -8.077 3.402 562 HG2 MET 89 1HG MET 89 -4.769 -10.543 3.219 563 HG3 MET 89 2HG MET 89 -3.613 -10.442 1.894 564 HE1 MET 89 3HE MET 89 -4.304 -9.756 5.639 565 HE2 MET 89 1HE MET 89 -3.688 -8.179 5.150 566 HE3 MET 89 2HE MET 89 -2.747 -9.194 6.241 567 H ILE 90 H ILE 90 -4.524 -6.706 0.347 568 HA ILE 90 HA ILE 90 -5.773 -4.465 1.463 569 HB ILE 90 HB ILE 90 -4.139 -4.888 -1.016 570 HG12 ILE 90 1HG1 ILE 90 -3.604 -3.348 1.529 571 HG13 ILE 90 2HG1 ILE 90 -3.148 -5.027 1.277 572 HG21 ILE 90 1HG2 ILE 90 -5.848 -2.985 -1.279 573 HG22 ILE 90 2HG2 ILE 90 -4.147 -2.629 -1.588 574 HG23 ILE 90 3HG2 ILE 90 -4.887 -2.142 -0.056 575 HD11 ILE 90 3HD1 ILE 90 -2.175 -2.738 -0.408 576 HD12 ILE 90 1HD1 ILE 90 -1.624 -4.410 -0.458 577 HD13 ILE 90 2HD1 ILE 90 -1.301 -3.418 0.964 578 H GLN 91 H GLN 91 -6.441 -6.138 -1.633 579 HA GLN 91 HA GLN 91 -8.469 -4.245 -2.312 580 HB2 GLN 91 1HB GLN 91 -8.730 -5.473 -4.296 581 HB3 GLN 91 2HB GLN 91 -7.023 -5.529 -3.933 582 HG2 GLN 91 1HG GLN 91 -7.344 -7.774 -2.983 583 HG3 GLN 91 2HG GLN 91 -9.031 -7.716 -3.480 584 HE21 GLN 91 2HE2 GLN 91 -5.734 -7.948 -4.539 585 HE22 GLN 91 1HE2 GLN 91 -6.075 -8.476 -6.152 586 H GLU 92 H GLU 92 -8.382 -7.284 -0.628 587 HA GLU 92 HA GLU 92 -11.056 -8.096 -1.073 588 HB2 GLU 92 1HB GLU 92 -9.344 -9.663 -0.391 589 HB3 GLU 92 2HB GLU 92 -9.105 -8.801 1.117 590 HG2 GLU 92 1HG GLU 92 -11.127 -9.516 1.995 591 HG3 GLU 92 2HG GLU 92 -11.760 -9.957 0.415 592 H VAL 93 H VAL 93 -9.517 -6.494 1.669 593 HA VAL 93 HA VAL 93 -11.623 -6.357 3.425 594 HB VAL 93 HB VAL 93 -10.613 -4.357 4.418 595 HG11 VAL 93 1HG1 VAL 93 -9.667 -6.529 4.931 596 HG12 VAL 93 2HG1 VAL 93 -8.397 -5.306 4.877 597 HG13 VAL 93 3HG1 VAL 93 -8.607 -6.422 3.524 598 HG21 VAL 93 3HG2 VAL 93 -8.789 -4.357 2.014 599 HG22 VAL 93 1HG2 VAL 93 -8.629 -3.322 3.433 600 HG23 VAL 93 2HG2 VAL 93 -10.028 -3.154 2.372 601 H LYS 94 H LYS 94 -11.071 -4.339 0.615 602 HA LYS 94 HA LYS 94 -12.461 -3.056 -0.628 603 HB2 LYS 94 1HB LYS 94 -14.061 -4.897 -0.354 604 HB3 LYS 94 2HB LYS 94 -14.635 -4.179 1.142 605 HG2 LYS 94 1HG LYS 94 -15.424 -2.223 -0.097 606 HG3 LYS 94 2HG LYS 94 -14.850 -2.947 -1.599 607 HD2 LYS 94 1HD LYS 94 -17.225 -3.316 -1.390 608 HD3 LYS 94 2HD LYS 94 -16.380 -4.855 -1.220 609 HE2 LYS 94 1HE LYS 94 -16.567 -4.657 1.226 610 HE3 LYS 94 2HE LYS 94 -17.453 -3.147 1.024 611 HZ1 LYS 94 3HZ LYS 94 -18.322 -5.800 0.020 612 HZ2 LYS 94 1HZ LYS 94 -19.184 -4.354 -0.138 613 HZ3 LYS 94 2HZ LYS 94 -18.932 -5.025 1.394 614 H GLY 95 H GLY 95 -12.922 -0.933 -0.669 615 HA2 GLY 95 1HA GLY 95 -13.958 1.023 0.098 616 HA3 GLY 95 2HA GLY 95 -14.109 0.298 1.688 617 H GLU 96 H GLU 96 -11.467 -0.367 2.261 618 HA GLU 96 HA GLU 96 -10.262 2.303 2.376 619 HB2 GLU 96 1HB GLU 96 -9.741 1.940 4.705 620 HB3 GLU 96 2HB GLU 96 -11.467 1.669 4.477 621 HG2 GLU 96 1HG GLU 96 -11.037 -0.734 4.327 622 HG3 GLU 96 2HG GLU 96 -9.347 -0.445 4.651 623 H VAL 97 H VAL 97 -8.040 2.054 3.378 624 HA VAL 97 HA VAL 97 -6.594 -0.389 2.786 625 HB VAL 97 HB VAL 97 -4.898 0.602 1.392 626 HG11 VAL 97 1HG1 VAL 97 -7.572 1.395 0.257 627 HG12 VAL 97 2HG1 VAL 97 -6.876 -0.226 0.207 628 HG13 VAL 97 3HG1 VAL 97 -6.091 1.096 -0.654 629 HG21 VAL 97 3HG2 VAL 97 -4.828 2.816 2.346 630 HG22 VAL 97 1HG2 VAL 97 -6.406 3.193 1.655 631 HG23 VAL 97 2HG2 VAL 97 -5.023 2.923 0.597 632 H THR 98 H THR 98 -4.594 -0.473 3.962 633 HA THR 98 HA THR 98 -3.851 1.934 5.429 634 HB THR 98 HB THR 98 -3.863 -0.666 6.918 635 HG1 THR 98 HG1 THR 98 -6.039 1.012 6.316 636 HG21 THR 98 3HG2 THR 98 -3.953 0.809 8.849 637 HG22 THR 98 1HG2 THR 98 -4.108 2.213 7.791 638 HG23 THR 98 2HG2 THR 98 -2.617 1.270 7.793 639 H ILE 99 H ILE 99 -1.897 2.286 4.632 640 HA ILE 99 HA ILE 99 -0.026 0.099 4.160 641 HB ILE 99 HB ILE 99 1.492 2.167 3.572 642 HG12 ILE 99 1HG1 ILE 99 -0.499 3.637 4.481 643 HG13 ILE 99 2HG1 ILE 99 0.468 4.185 3.124 644 HG21 ILE 99 1HG2 ILE 99 0.670 2.103 1.261 645 HG22 ILE 99 2HG2 ILE 99 -0.772 1.247 1.811 646 HG23 ILE 99 3HG2 ILE 99 0.815 0.493 1.968 647 HD11 ILE 99 3HD1 ILE 99 -2.163 2.748 2.859 648 HD12 ILE 99 1HD1 ILE 99 -1.237 3.519 1.573 649 HD13 ILE 99 2HD1 ILE 99 -1.975 4.498 2.841 650 H HIS 100 H HIS 100 1.813 -0.246 5.359 651 HA HIS 100 HA HIS 100 2.334 1.559 7.601 652 HB2 HIS 100 1HB HIS 100 1.119 -1.070 7.802 653 HB3 HIS 100 2HB HIS 100 2.623 -0.990 8.705 654 HD1 HIS 100 HD1 HIS 100 2.381 -0.199 11.024 655 HD2 HIS 100 HD2 HIS 100 -0.677 1.213 8.583 656 HE1 HIS 100 HE1 HIS 100 0.811 1.042 12.551 657 HE2 HIS 100 HE2 HIS 100 -1.092 1.785 11.073 658 H TYR 101 H TYR 101 4.437 2.033 7.517 659 HA TYR 101 HA TYR 101 6.199 0.044 8.385 660 HB2 TYR 101 1HB TYR 101 6.329 -0.469 5.911 661 HB3 TYR 101 2HB TYR 101 7.009 1.132 5.678 662 HD1 TYR 101 HD2 TYR 101 8.414 0.374 8.683 663 HD2 TYR 101 HD1 TYR 101 8.562 -1.021 4.670 664 HE1 TYR 101 HE2 TYR 101 10.653 -0.551 9.091 665 HE2 TYR 101 HE1 TYR 101 10.794 -1.958 5.074 666 HH TYR 101 HH TYR 101 12.719 -1.537 6.648 667 H ASN 102 H ASN 102 7.818 2.324 6.454 668 HA ASN 102 HA ASN 102 7.988 4.456 8.263 669 HB2 ASN 102 1HB ASN 102 8.869 2.200 9.488 670 HB3 ASN 102 2HB ASN 102 10.382 2.748 8.761 671 HD21 ASN 102 2HD2 ASN 102 11.282 4.685 9.364 672 HD22 ASN 102 1HD2 ASN 102 10.796 5.509 10.806 673 H LYS 103 H LYS 103 10.444 5.361 8.135 674 HA LYS 103 HA LYS 103 11.194 5.419 5.322 675 HB2 LYS 103 1HB LYS 103 12.598 6.895 7.531 676 HB3 LYS 103 2HB LYS 103 12.341 7.393 5.866 677 HG2 LYS 103 1HG LYS 103 9.977 7.111 7.639 678 HG3 LYS 103 2HG LYS 103 11.026 8.513 7.851 679 HD2 LYS 103 1HD LYS 103 9.321 9.177 6.369 680 HD3 LYS 103 2HD LYS 103 10.749 8.903 5.379 681 HE2 LYS 103 1HE LYS 103 9.874 6.662 4.824 682 HE3 LYS 103 2HE LYS 103 8.406 7.039 5.711 683 HZ1 LYS 103 3HZ LYS 103 8.017 8.886 4.202 684 HZ2 LYS 103 1HZ LYS 103 8.103 7.416 3.363 685 HZ3 LYS 103 2HZ LYS 103 9.411 8.495 3.333 686 H LEU 104 H LEU 104 13.753 5.398 5.105 687 HA LEU 104 HA LEU 104 15.480 3.959 4.893 688 HB2 LEU 104 1HB LEU 104 16.553 3.129 7.000 689 HB3 LEU 104 2HB LEU 104 16.349 4.874 6.877 690 HG LEU 104 HG LEU 104 14.140 4.338 8.242 691 HD11 LEU 104 1HD1 LEU 104 14.446 2.558 9.830 692 HD12 LEU 104 2HD1 LEU 104 15.993 2.131 9.094 693 HD13 LEU 104 3HD1 LEU 104 14.495 1.923 8.182 694 HD21 LEU 104 3HD2 LEU 104 15.232 5.026 10.185 695 HD22 LEU 104 1HD2 LEU 104 16.095 5.782 8.850 696 HD23 LEU 104 2HD2 LEU 104 16.781 4.366 9.655 697 H GLN 105 H GLN 105 16.248 1.803 4.897 698 HA GLN 105 HA GLN 105 13.991 -0.014 4.892 699 HB2 GLN 105 1HB GLN 105 15.404 -1.542 3.636 700 HB3 GLN 105 2HB GLN 105 15.400 0.043 2.886 701 HG2 GLN 105 1HG GLN 105 17.589 -0.955 4.694 702 HG3 GLN 105 2HG GLN 105 17.609 -1.116 2.940 703 HE21 GLN 105 2HE2 GLN 105 17.822 0.743 1.668 704 HE22 GLN 105 1HE2 GLN 105 18.441 2.221 2.319 705 H ALA 106 H ALA 106 16.446 0.865 6.948 706 HA ALA 106 HA ALA 106 16.014 -1.186 8.820 707 HB1 ALA 106 3HB ALA 106 18.124 -2.412 8.596 708 HB2 ALA 106 1HB ALA 106 18.472 -1.499 7.129 709 HB3 ALA 106 2HB ALA 106 17.092 -2.597 7.175 710 H ASP 107 H ASP 107 17.487 -1.154 10.610 711 HA ASP 107 HA ASP 107 19.463 1.040 10.644 712 HB2 ASP 107 1HB ASP 107 17.699 0.078 12.929 713 HB3 ASP 107 2HB ASP 107 19.087 1.133 13.145 714 HA PRO 108 HA PRO 108 22.725 -1.836 11.110 715 HB2 PRO 108 1HB PRO 108 22.885 -0.866 13.946 716 HB3 PRO 108 2HB PRO 108 24.194 -1.234 12.821 717 HG2 PRO 108 1HG PRO 108 23.380 1.281 13.202 718 HG3 PRO 108 2HG PRO 108 23.876 0.708 11.602 719 HD2 PRO 108 1HD PRO 108 21.195 1.424 12.578 720 HD3 PRO 108 2HD PRO 108 21.786 1.282 10.911 721 H LYS 109 H LYS 109 20.969 -1.751 14.208 722 HA LYS 109 HA LYS 109 21.280 -4.392 14.978 723 HB2 LYS 109 1HB LYS 109 19.188 -4.003 16.313 724 HB3 LYS 109 2HB LYS 109 20.419 -2.763 16.518 725 HG2 LYS 109 1HG LYS 109 19.215 -1.314 14.955 726 HG3 LYS 109 2HG LYS 109 17.984 -2.563 14.735 727 HD2 LYS 109 1HD LYS 109 18.651 -1.228 17.364 728 HD3 LYS 109 2HD LYS 109 17.313 -0.767 16.312 729 HE2 LYS 109 1HE LYS 109 16.395 -3.046 16.538 730 HE3 LYS 109 2HE LYS 109 17.699 -3.439 17.656 731 HZ1 LYS 109 3HZ LYS 109 16.896 -1.777 19.172 732 HZ2 LYS 109 1HZ LYS 109 15.626 -2.823 18.781 733 HZ3 LYS 109 2HZ LYS 109 15.702 -1.285 18.082 734 H GLN 110 H GLN 110 18.698 -2.983 13.050 735 HA GLN 110 HA GLN 110 17.375 -5.520 12.729 736 HB2 GLN 110 1HB GLN 110 16.753 -2.699 12.001 737 HB3 GLN 110 2HB GLN 110 15.801 -4.026 11.390 738 HG2 GLN 110 1HG GLN 110 16.222 -3.303 14.259 739 HG3 GLN 110 2HG GLN 110 14.760 -3.062 13.317 740 HE21 GLN 110 2HE2 GLN 110 13.465 -4.836 12.808 741 HE22 GLN 110 1HE2 GLN 110 13.612 -6.348 13.630 742 H LEU 111 H LEU 111 19.726 -3.721 11.228 743 HA LEU 111 HA LEU 111 19.144 -4.237 8.504 744 HB2 LEU 111 1HB LEU 111 20.496 -2.341 9.262 745 HB3 LEU 111 2HB LEU 111 21.685 -3.440 9.921 746 HG LEU 111 HG LEU 111 22.270 -2.289 7.732 747 HD11 LEU 111 1HD1 LEU 111 23.344 -4.253 6.774 748 HD12 LEU 111 2HD1 LEU 111 22.334 -5.297 7.775 749 HD13 LEU 111 3HD1 LEU 111 23.508 -4.221 8.529 750 HD21 LEU 111 3HD2 LEU 111 21.367 -3.226 5.691 751 HD22 LEU 111 1HD2 LEU 111 20.078 -2.538 6.676 752 HD23 LEU 111 2HD2 LEU 111 20.309 -4.285 6.622 753 H GLU 112 H GLU 112 21.195 -5.751 10.967 754 HA GLU 112 HA GLU 112 22.201 -7.794 9.244 755 HB2 GLU 112 1HB GLU 112 22.787 -8.928 11.406 756 HB3 GLU 112 2HB GLU 112 23.395 -7.280 11.258 757 HG2 GLU 112 1HG GLU 112 21.790 -6.430 12.718 758 HG3 GLU 112 2HG GLU 112 20.792 -7.881 12.585 759 H VAL 113 H VAL 113 19.278 -7.338 10.996 760 HA VAL 113 HA VAL 113 18.434 -10.086 11.028 761 HB VAL 113 HB VAL 113 16.883 -7.521 11.460 762 HG11 VAL 113 1HG1 VAL 113 15.391 -9.327 10.830 763 HG12 VAL 113 2HG1 VAL 113 15.192 -8.914 12.531 764 HG13 VAL 113 3HG1 VAL 113 16.092 -10.361 12.074 765 HG21 VAL 113 3HG2 VAL 113 18.658 -7.843 13.089 766 HG22 VAL 113 1HG2 VAL 113 18.053 -9.460 13.443 767 HG23 VAL 113 2HG2 VAL 113 17.072 -8.047 13.832 768 H LEU 114 H LEU 114 17.715 -7.196 9.165 769 HA LEU 114 HA LEU 114 15.918 -8.551 7.357 770 HB2 LEU 114 1HB LEU 114 17.010 -5.757 7.541 771 HB3 LEU 114 2HB LEU 114 16.015 -6.294 6.210 772 HG LEU 114 HG LEU 114 15.161 -6.301 9.104 773 HD11 LEU 114 1HD1 LEU 114 15.447 -4.031 8.275 774 HD12 LEU 114 2HD1 LEU 114 13.740 -4.411 8.497 775 HD13 LEU 114 3HD1 LEU 114 14.439 -4.403 6.878 776 HD21 LEU 114 3HD2 LEU 114 13.622 -6.834 6.565 777 HD22 LEU 114 1HD2 LEU 114 12.913 -6.688 8.173 778 HD23 LEU 114 2HD2 LEU 114 14.024 -8.009 7.817 779 H PHE 115 H PHE 115 19.113 -8.354 7.755 780 HA PHE 115 HA PHE 115 20.246 -8.017 5.210 781 HB2 PHE 115 1HB PHE 115 21.264 -8.114 7.572 782 HB3 PHE 115 2HB PHE 115 21.329 -9.839 7.328 783 HD1 PHE 115 HD1 PHE 115 22.218 -6.759 5.416 784 HD2 PHE 115 HD2 PHE 115 23.388 -10.638 6.713 785 HE1 PHE 115 HE1 PHE 115 24.402 -6.460 4.323 786 HE2 PHE 115 HE2 PHE 115 25.571 -10.349 5.618 787 HZ PHE 115 HZ PHE 115 26.081 -8.258 4.423 788 H GLN 116 H GLN 116 17.981 -9.705 4.885 789 HA GLN 116 HA GLN 116 18.586 -12.443 4.746 790 HB2 GLN 116 1HB GLN 116 16.653 -10.909 3.022 791 HB3 GLN 116 2HB GLN 116 16.636 -12.636 3.320 792 HG2 GLN 116 1HG GLN 116 16.213 -12.175 5.712 793 HG3 GLN 116 2HG GLN 116 16.106 -10.459 5.324 794 HE21 GLN 116 2HE2 GLN 116 14.584 -13.561 5.050 795 HE22 GLN 116 1HE2 GLN 116 13.042 -12.988 4.521 796 H GLY 117 H GLY 117 20.428 -12.927 3.794 797 HA2 GLY 117 1HA GLY 117 20.975 -12.000 1.064 798 HA3 GLY 117 2HA GLY 117 22.095 -12.880 2.104 799 HA PRO 118 HA PRO 118 20.500 -17.106 1.194 800 HB2 PRO 118 1HB PRO 118 18.330 -16.943 3.106 801 HB3 PRO 118 2HB PRO 118 19.810 -17.875 3.200 802 HG2 PRO 118 1HG PRO 118 19.218 -15.224 4.335 803 HG3 PRO 118 2HG PRO 118 20.348 -16.470 4.901 804 HD2 PRO 118 1HD PRO 118 21.278 -14.279 3.753 805 HD3 PRO 118 2HD PRO 118 21.978 -15.859 3.330 806 H GLN 119 H GLN 119 17.842 -14.867 2.053 807 HA GLN 119 HA GLN 119 16.157 -15.878 -0.048 808 HB2 GLN 119 1HB GLN 119 15.296 -14.997 2.138 809 HB3 GLN 119 2HB GLN 119 15.787 -13.389 1.628 810 HG2 GLN 119 1HG GLN 119 14.276 -13.622 -0.333 811 HG3 GLN 119 2HG GLN 119 13.704 -15.142 0.355 812 HE21 GLN 119 2HE2 GLN 119 13.676 -11.699 0.591 813 HE22 GLN 119 1HE2 GLN 119 12.436 -11.583 1.795 814 H PHE 120 H PHE 120 16.516 -15.360 -2.115 815 HA PHE 120 HA PHE 120 18.007 -13.012 -2.820 816 HB2 PHE 120 1HB PHE 120 17.613 -13.770 -5.174 817 HB3 PHE 120 2HB PHE 120 18.382 -14.973 -4.148 818 HD1 PHE 120 HD1 PHE 120 17.115 -16.941 -3.384 819 HD2 PHE 120 HD2 PHE 120 15.460 -14.133 -6.118 820 HE1 PHE 120 HE1 PHE 120 15.387 -18.574 -4.008 821 HE2 PHE 120 HE2 PHE 120 13.726 -15.762 -6.745 822 HZ PHE 120 HZ PHE 120 13.688 -17.983 -5.691 823 H THR 121 H THR 121 14.679 -13.912 -2.636 824 HA THR 121 HA THR 121 12.754 -12.741 -2.765 825 HB THR 121 HB THR 121 14.257 -10.142 -2.802 826 HG1 THR 121 HG1 THR 121 15.435 -11.157 -1.255 827 HG21 THR 121 3HG2 THR 121 11.862 -11.135 -1.240 828 HG22 THR 121 1HG2 THR 121 11.794 -10.132 -2.689 829 HG23 THR 121 2HG2 THR 121 12.510 -9.495 -1.210 830 H LEU 122 H LEU 122 12.734 -9.950 -4.096 831 HA LEU 122 HA LEU 122 12.168 -9.090 -6.107 832 HB2 LEU 122 1HB LEU 122 14.136 -11.134 -7.133 833 HB3 LEU 122 2HB LEU 122 13.457 -9.836 -8.091 834 HG LEU 122 HG LEU 122 15.218 -9.467 -5.665 835 HD11 LEU 122 1HD1 LEU 122 15.816 -9.131 -8.600 836 HD12 LEU 122 2HD1 LEU 122 16.421 -10.420 -7.560 837 HD13 LEU 122 3HD1 LEU 122 16.908 -8.751 -7.269 838 HD21 LEU 122 3HD2 LEU 122 15.301 -7.122 -6.376 839 HD22 LEU 122 1HD2 LEU 122 13.661 -7.618 -5.957 840 HD23 LEU 122 2HD2 LEU 122 14.131 -7.470 -7.650 841 H ARG 123 H ARG 123 11.761 -10.100 -8.576 842 HA ARG 123 HA ARG 123 10.257 -11.050 -9.922 843 HB2 ARG 123 1HB ARG 123 10.017 -13.402 -9.937 844 HB3 ARG 123 2HB ARG 123 11.648 -13.050 -9.400 845 HG2 ARG 123 1HG ARG 123 10.912 -13.462 -7.067 846 HG3 ARG 123 2HG ARG 123 9.332 -13.939 -7.698 847 HD2 ARG 123 1HD ARG 123 10.770 -15.882 -7.270 848 HD3 ARG 123 2HD ARG 123 10.361 -15.729 -8.980 849 HE ARG 123 HE ARG 123 12.860 -14.496 -8.225 850 HH11 ARG 123 1HH1 ARG 123 11.319 -17.444 -9.310 851 HH12 ARG 123 2HH1 ARG 123 12.758 -18.076 -10.038 852 HH21 ARG 123 1HH2 ARG 123 14.761 -15.325 -9.161 853 HH22 ARG 123 2HH2 ARG 123 14.729 -16.875 -9.944 854 H HIS 124 H HIS 124 8.112 -12.138 -10.157 855 HA HIS 124 HA HIS 124 5.873 -11.984 -9.881 856 HB2 HIS 124 1HB HIS 124 6.623 -12.071 -6.957 857 HB3 HIS 124 2HB HIS 124 4.961 -12.081 -7.530 858 HD1 HIS 124 HD1 HIS 124 7.320 -14.328 -6.314 859 HD2 HIS 124 HD2 HIS 124 4.783 -14.382 -9.603 860 HE1 HIS 124 HE1 HIS 124 7.086 -16.745 -6.943 861 HE2 HIS 124 HE2 HIS 124 5.702 -16.735 -9.051 862 H TRP 125 H TRP 125 5.555 -10.004 -10.820 863 HA TRP 125 HA TRP 125 6.107 -7.561 -9.462 864 HB2 TRP 125 1HB TRP 125 6.093 -7.769 -11.941 865 HB3 TRP 125 2HB TRP 125 4.350 -8.010 -11.887 866 HD1 TRP 125 HD1 TRP 125 6.666 -5.303 -10.314 867 HE1 TRP 125 HE1 TRP 125 5.652 -2.997 -10.845 868 HE3 TRP 125 HE3 TRP 125 2.623 -6.809 -13.054 869 HZ2 TRP 125 HZ2 TRP 125 3.432 -1.958 -12.242 870 HZ3 TRP 125 HZ3 TRP 125 1.106 -5.096 -13.956 871 HH2 TRP 125 HH2 TRP 125 1.504 -2.719 -13.556 872 H LEU 126 H LEU 126 5.046 -7.017 -7.718 873 HA LEU 126 HA LEU 126 2.254 -7.774 -7.372 874 HB2 LEU 126 1HB LEU 126 3.663 -8.326 -5.544 875 HB3 LEU 126 2HB LEU 126 4.387 -6.736 -5.536 876 HG LEU 126 HG LEU 126 2.256 -5.787 -4.736 877 HD11 LEU 126 1HD1 LEU 126 1.437 -8.680 -4.744 878 HD12 LEU 126 2HD1 LEU 126 0.651 -7.328 -5.557 879 HD13 LEU 126 3HD1 LEU 126 0.614 -7.444 -3.799 880 HD21 LEU 126 3HD2 LEU 126 4.134 -6.675 -3.241 881 HD22 LEU 126 1HD2 LEU 126 3.064 -8.036 -2.930 882 HD23 LEU 126 2HD2 LEU 126 2.556 -6.404 -2.503 883 H LYS 127 H LYS 127 0.647 -6.311 -7.042 884 HA LYS 127 HA LYS 127 1.137 -3.492 -7.019 885 HB2 LYS 127 1HB LYS 127 -0.038 -2.973 -9.079 886 HB3 LYS 127 2HB LYS 127 1.350 -3.992 -9.425 887 HG2 LYS 127 1HG LYS 127 -0.088 -5.922 -9.662 888 HG3 LYS 127 2HG LYS 127 -1.495 -4.958 -9.211 889 HD2 LYS 127 1HD LYS 127 -1.126 -3.537 -11.189 890 HD3 LYS 127 2HD LYS 127 0.240 -4.557 -11.647 891 HE2 LYS 127 1HE LYS 127 -1.696 -5.211 -12.919 892 HE3 LYS 127 2HE LYS 127 -1.299 -6.489 -11.773 893 HZ1 LYS 127 3HZ LYS 127 -3.457 -4.473 -11.488 894 HZ2 LYS 127 1HZ LYS 127 -3.045 -5.610 -10.306 895 HZ3 LYS 127 2HZ LYS 127 -3.654 -6.123 -11.796 896 H VAL 128 H VAL 128 -0.495 -2.403 -6.139 897 HA VAL 128 HA VAL 128 -3.185 -3.217 -6.356 898 HB VAL 128 HB VAL 128 -2.511 -4.742 -4.558 899 HG11 VAL 128 1HG1 VAL 128 -0.769 -3.448 -3.519 900 HG12 VAL 128 2HG1 VAL 128 -1.996 -3.931 -2.349 901 HG13 VAL 128 3HG1 VAL 128 -1.964 -2.272 -2.960 902 HG21 VAL 128 3HG2 VAL 128 -4.780 -4.027 -4.726 903 HG22 VAL 128 1HG2 VAL 128 -4.428 -2.586 -3.771 904 HG23 VAL 128 2HG2 VAL 128 -4.323 -4.186 -3.032 Start of MODEL 10 1 H1 GLY 13 1H GLY 13 9.156 -8.764 19.257 2 H2 GLY 13 2H GLY 13 8.254 -10.160 19.558 3 H3 GLY 13 3H GLY 13 8.031 -8.784 20.516 4 HA2 GLY 13 1HA GLY 13 7.382 -9.020 17.635 5 HA3 GLY 13 2HA GLY 13 6.217 -9.005 18.953 6 H SER 14 H SER 14 5.567 -7.173 17.341 7 HA SER 14 HA SER 14 5.261 -4.967 16.936 8 HB2 SER 14 1HB SER 14 6.547 -4.602 19.653 9 HB3 SER 14 2HB SER 14 5.558 -3.416 18.803 10 HG SER 14 HG SER 14 4.078 -4.356 20.026 11 HA PRO 15 HA PRO 15 9.531 -4.638 15.251 12 HB2 PRO 15 1HB PRO 15 8.675 -3.273 13.005 13 HB3 PRO 15 2HB PRO 15 8.816 -5.029 13.125 14 HG2 PRO 15 1HG PRO 15 6.401 -3.294 13.407 15 HG3 PRO 15 2HG PRO 15 6.563 -4.877 12.622 16 HD2 PRO 15 1HD PRO 15 5.459 -4.614 15.054 17 HD3 PRO 15 2HD PRO 15 6.450 -6.024 14.630 18 H GLY 16 H GLY 16 10.543 -3.170 16.489 19 HA2 GLY 16 1HA GLY 16 9.537 -0.496 16.862 20 HA3 GLY 16 2HA GLY 16 11.034 -1.151 17.509 21 H ILE 17 H ILE 17 9.550 -0.132 14.473 22 HA ILE 17 HA ILE 17 12.148 0.362 13.285 23 HB ILE 17 HB ILE 17 10.881 0.861 11.246 24 HG12 ILE 17 1HG1 ILE 17 8.559 0.688 13.129 25 HG13 ILE 17 2HG1 ILE 17 8.890 1.849 11.844 26 HG21 ILE 17 1HG2 ILE 17 9.957 -1.396 10.901 27 HG22 ILE 17 2HG2 ILE 17 10.074 -1.686 12.637 28 HG23 ILE 17 3HG2 ILE 17 11.535 -1.419 11.687 29 HD11 ILE 17 3HD1 ILE 17 8.017 -0.999 11.443 30 HD12 ILE 17 1HD1 ILE 17 8.329 0.182 10.174 31 HD13 ILE 17 2HD1 ILE 17 6.997 0.432 11.301 32 HA PRO 18 HA PRO 18 12.693 4.576 13.970 33 HB2 PRO 18 1HB PRO 18 12.784 5.326 11.146 34 HB3 PRO 18 2HB PRO 18 14.086 5.281 12.333 35 HG2 PRO 18 1HG PRO 18 13.812 3.537 10.267 36 HG3 PRO 18 2HG PRO 18 14.654 3.147 11.781 37 HD2 PRO 18 1HD PRO 18 11.984 2.327 10.808 38 HD3 PRO 18 2HD PRO 18 13.111 1.475 11.858 39 H VAL 19 H VAL 19 12.128 6.694 11.941 40 HA VAL 19 HA VAL 19 9.923 7.900 12.983 41 HB VAL 19 HB VAL 19 10.771 8.224 10.116 42 HG11 VAL 19 1HG1 VAL 19 9.670 10.125 12.151 43 HG12 VAL 19 2HG1 VAL 19 8.813 9.453 10.766 44 HG13 VAL 19 3HG1 VAL 19 10.165 10.557 10.518 45 HG21 VAL 19 3HG2 VAL 19 12.438 9.861 10.921 46 HG22 VAL 19 1HG2 VAL 19 12.807 8.211 11.419 47 HG23 VAL 19 2HG2 VAL 19 12.109 9.345 12.575 48 HA PRO 20 HA PRO 20 6.869 4.926 11.746 49 HB2 PRO 20 1HB PRO 20 4.692 6.534 12.366 50 HB3 PRO 20 2HB PRO 20 5.552 5.482 13.487 51 HG2 PRO 20 1HG PRO 20 5.864 8.416 13.043 52 HG3 PRO 20 2HG PRO 20 5.874 7.501 14.565 53 HD2 PRO 20 1HD PRO 20 8.144 8.346 13.472 54 HD3 PRO 20 2HD PRO 20 8.053 6.748 14.237 55 H GLY 21 H GLY 21 6.187 4.462 9.805 56 HA2 GLY 21 1HA GLY 21 5.214 6.644 8.075 57 HA3 GLY 21 2HA GLY 21 6.255 5.367 7.465 58 H LYS 22 H LYS 22 3.110 6.371 7.903 59 HA LYS 22 HA LYS 22 1.997 4.072 6.687 60 HB2 LYS 22 1HB LYS 22 0.603 3.278 8.541 61 HB3 LYS 22 2HB LYS 22 2.308 3.122 8.935 62 HG2 LYS 22 1HG LYS 22 1.610 4.006 10.891 63 HG3 LYS 22 2HG LYS 22 1.844 5.521 10.017 64 HD2 LYS 22 1HD LYS 22 -0.589 5.334 9.327 65 HD3 LYS 22 2HD LYS 22 -0.726 4.039 10.515 66 HE2 LYS 22 1HE LYS 22 -1.452 6.060 11.550 67 HE3 LYS 22 2HE LYS 22 0.114 5.636 12.238 68 HZ1 LYS 22 3HZ LYS 22 -0.047 7.997 11.708 69 HZ2 LYS 22 1HZ LYS 22 -0.325 7.629 10.081 70 HZ3 LYS 22 2HZ LYS 22 1.161 7.249 10.793 71 H VAL 23 H VAL 23 0.018 4.573 5.801 72 HA VAL 23 HA VAL 23 -1.414 6.873 6.911 73 HB VAL 23 HB VAL 23 -1.879 7.852 4.715 74 HG11 VAL 23 1HG1 VAL 23 1.075 7.563 5.213 75 HG12 VAL 23 2HG1 VAL 23 -0.000 8.712 6.010 76 HG13 VAL 23 3HG1 VAL 23 0.299 8.839 4.275 77 HG21 VAL 23 3HG2 VAL 23 -0.604 7.192 2.729 78 HG22 VAL 23 1HG2 VAL 23 -1.653 5.896 3.305 79 HG23 VAL 23 2HG2 VAL 23 0.078 5.835 3.632 80 H THR 24 H THR 24 -3.648 6.872 6.527 81 HA THR 24 HA THR 24 -4.671 4.240 5.701 82 HB THR 24 HB THR 24 -5.178 4.454 7.985 83 HG1 THR 24 HG1 THR 24 -7.526 5.475 6.727 84 HG21 THR 24 3HG2 THR 24 -6.152 7.266 7.458 85 HG22 THR 24 1HG2 THR 24 -4.643 6.828 8.255 86 HG23 THR 24 2HG2 THR 24 -6.186 6.435 9.011 87 H LEU 25 H LEU 25 -5.295 4.441 3.652 88 HA LEU 25 HA LEU 25 -6.776 6.857 2.847 89 HB2 LEU 25 1HB LEU 25 -5.397 4.939 0.992 90 HB3 LEU 25 2HB LEU 25 -5.880 6.596 0.683 91 HG LEU 25 HG LEU 25 -3.743 5.878 2.672 92 HD11 LEU 25 1HD1 LEU 25 -2.110 6.330 0.982 93 HD12 LEU 25 2HD1 LEU 25 -3.369 6.696 -0.198 94 HD13 LEU 25 3HD1 LEU 25 -3.181 5.052 0.414 95 HD21 LEU 25 3HD2 LEU 25 -3.120 8.195 2.453 96 HD22 LEU 25 1HD2 LEU 25 -4.825 8.087 2.879 97 HD23 LEU 25 2HD2 LEU 25 -4.353 8.447 1.218 98 H GLN 26 H GLN 26 -7.846 6.031 0.511 99 HA GLN 26 HA GLN 26 -9.487 3.715 1.145 100 HB2 GLN 26 1HB GLN 26 -10.436 6.472 0.432 101 HB3 GLN 26 2HB GLN 26 -11.435 5.050 0.143 102 HG2 GLN 26 1HG GLN 26 -11.508 4.523 2.444 103 HG3 GLN 26 2HG GLN 26 -10.261 5.706 2.818 104 HE21 GLN 26 2HE2 GLN 26 -12.912 5.420 3.920 105 HE22 GLN 26 1HE2 GLN 26 -13.734 6.915 3.620 106 H LYS 27 H LYS 27 -10.234 2.592 -0.541 107 HA LYS 27 HA LYS 27 -8.534 2.157 -2.659 108 HB2 LYS 27 1HB LYS 27 -11.504 1.609 -2.660 109 HB3 LYS 27 2HB LYS 27 -10.323 0.861 -3.708 110 HG2 LYS 27 1HG LYS 27 -10.581 0.519 -0.742 111 HG3 LYS 27 2HG LYS 27 -10.930 -0.672 -1.997 112 HD2 LYS 27 1HD LYS 27 -8.417 -0.098 -2.628 113 HD3 LYS 27 2HD LYS 27 -8.362 0.242 -0.904 114 HE2 LYS 27 1HE LYS 27 -9.191 -2.323 -2.219 115 HE3 LYS 27 2HE LYS 27 -7.730 -2.040 -1.274 116 HZ1 LYS 27 3HZ LYS 27 -9.234 -1.505 0.626 117 HZ2 LYS 27 1HZ LYS 27 -9.258 -3.123 0.123 118 HZ3 LYS 27 2HZ LYS 27 -10.521 -2.083 -0.310 119 H ASP 28 H ASP 28 -8.724 2.418 -4.912 120 HA ASP 28 HA ASP 28 -10.035 4.868 -5.790 121 HB2 ASP 28 1HB ASP 28 -8.742 4.670 -7.765 122 HB3 ASP 28 2HB ASP 28 -7.663 4.143 -6.481 123 H ALA 29 H ALA 29 -10.702 4.086 -8.428 124 HA ALA 29 HA ALA 29 -13.186 2.806 -8.002 125 HB1 ALA 29 3HB ALA 29 -12.848 4.402 -9.812 126 HB2 ALA 29 1HB ALA 29 -13.429 2.856 -10.432 127 HB3 ALA 29 2HB ALA 29 -11.726 3.288 -10.594 128 H GLN 30 H GLN 30 -10.021 1.564 -8.700 129 HA GLN 30 HA GLN 30 -11.072 -0.955 -9.709 130 HB2 GLN 30 1HB GLN 30 -9.007 0.370 -10.603 131 HB3 GLN 30 2HB GLN 30 -8.216 -0.430 -9.273 132 HG2 GLN 30 1HG GLN 30 -8.625 -2.569 -10.156 133 HG3 GLN 30 2HG GLN 30 -9.756 -1.925 -11.348 134 HE21 GLN 30 2HE2 GLN 30 -6.422 -2.198 -10.433 135 HE22 GLN 30 1HE2 GLN 30 -5.757 -1.751 -11.956 136 H ASN 31 H ASN 31 -10.839 0.260 -6.787 137 HA ASN 31 HA ASN 31 -10.891 -0.659 -4.701 138 HB2 ASN 31 1HB ASN 31 -12.188 -2.452 -5.762 139 HB3 ASN 31 2HB ASN 31 -10.701 -3.280 -6.169 140 HD21 ASN 31 2HD2 ASN 31 -11.145 -5.120 -5.050 141 HD22 ASN 31 1HD2 ASN 31 -11.181 -5.192 -3.320 142 H LEU 32 H LEU 32 -8.364 0.007 -6.123 143 HA LEU 32 HA LEU 32 -6.707 -1.303 -4.088 144 HB2 LEU 32 1HB LEU 32 -4.773 -1.145 -5.732 145 HB3 LEU 32 2HB LEU 32 -5.949 -2.405 -5.969 146 HG LEU 32 HG LEU 32 -7.010 -1.043 -7.765 147 HD11 LEU 32 1HD1 LEU 32 -5.695 0.774 -8.753 148 HD12 LEU 32 2HD1 LEU 32 -4.579 0.696 -7.391 149 HD13 LEU 32 3HD1 LEU 32 -6.260 1.166 -7.131 150 HD21 LEU 32 3HD2 LEU 32 -5.240 -1.480 -9.413 151 HD22 LEU 32 1HD2 LEU 32 -5.481 -2.831 -8.307 152 HD23 LEU 32 2HD2 LEU 32 -4.104 -1.753 -8.094 153 H ILE 33 H ILE 33 -4.337 0.052 -4.425 154 HA ILE 33 HA ILE 33 -5.233 2.707 -3.604 155 HB ILE 33 HB ILE 33 -2.472 2.160 -2.994 156 HG12 ILE 33 1HG1 ILE 33 -4.498 0.241 -1.805 157 HG13 ILE 33 2HG1 ILE 33 -3.292 -0.210 -3.007 158 HG21 ILE 33 1HG2 ILE 33 -4.960 2.734 -1.406 159 HG22 ILE 33 2HG2 ILE 33 -3.731 3.886 -1.933 160 HG23 ILE 33 3HG2 ILE 33 -3.338 2.678 -0.710 161 HD11 ILE 33 3HD1 ILE 33 -1.520 0.371 -1.424 162 HD12 ILE 33 1HD1 ILE 33 -2.604 -0.853 -0.766 163 HD13 ILE 33 2HD1 ILE 33 -2.733 0.821 -0.227 164 H GLY 34 H GLY 34 -3.232 0.984 -5.866 165 HA2 GLY 34 1HA GLY 34 -2.703 2.006 -7.971 166 HA3 GLY 34 2HA GLY 34 -2.642 3.568 -7.170 167 H ILE 35 H ILE 35 -1.082 0.711 -5.837 168 HA ILE 35 HA ILE 35 1.521 1.951 -6.521 169 HB ILE 35 HB ILE 35 2.408 1.018 -4.374 170 HG12 ILE 35 1HG1 ILE 35 0.425 0.890 -2.608 171 HG13 ILE 35 2HG1 ILE 35 -0.472 0.356 -4.022 172 HG21 ILE 35 1HG2 ILE 35 0.300 3.147 -4.271 173 HG22 ILE 35 2HG2 ILE 35 2.031 3.351 -4.548 174 HG23 ILE 35 3HG2 ILE 35 1.447 2.828 -2.969 175 HD11 ILE 35 3HD1 ILE 35 2.000 -0.931 -2.907 176 HD12 ILE 35 1HD1 ILE 35 1.131 -1.450 -4.353 177 HD13 ILE 35 2HD1 ILE 35 0.343 -1.526 -2.777 178 H SER 36 H SER 36 3.347 0.405 -6.104 179 HA SER 36 HA SER 36 2.675 -2.363 -6.735 180 HB2 SER 36 1HB SER 36 4.544 -0.581 -8.283 181 HB3 SER 36 2HB SER 36 4.699 -2.340 -8.313 182 HG SER 36 HG SER 36 2.306 -2.188 -8.791 183 H ILE 37 H ILE 37 3.690 -3.739 -5.505 184 HA ILE 37 HA ILE 37 5.804 -2.689 -3.764 185 HB ILE 37 HB ILE 37 4.128 -5.182 -3.425 186 HG12 ILE 37 1HG1 ILE 37 4.128 -2.551 -1.925 187 HG13 ILE 37 2HG1 ILE 37 2.897 -3.072 -3.069 188 HG21 ILE 37 1HG2 ILE 37 5.144 -5.354 -1.204 189 HG22 ILE 37 2HG2 ILE 37 6.190 -3.985 -1.577 190 HG23 ILE 37 3HG2 ILE 37 6.355 -5.491 -2.479 191 HD11 ILE 37 3HD1 ILE 37 3.543 -4.402 -0.447 192 HD12 ILE 37 1HD1 ILE 37 2.306 -4.920 -1.591 193 HD13 ILE 37 2HD1 ILE 37 2.156 -3.363 -0.777 194 H GLY 38 H GLY 38 7.741 -3.615 -3.556 195 HA2 GLY 38 1HA GLY 38 8.464 -5.721 -5.479 196 HA3 GLY 38 2HA GLY 38 9.409 -4.240 -5.363 197 H GLY 39 H GLY 39 8.834 -7.334 -4.092 198 HA2 GLY 39 1HA GLY 39 10.189 -6.844 -1.570 199 HA3 GLY 39 2HA GLY 39 9.467 -8.360 -2.092 200 H GLY 40 H GLY 40 12.257 -7.032 -1.290 201 HA2 GLY 40 1HA GLY 40 14.124 -7.547 -3.274 202 HA3 GLY 40 2HA GLY 40 14.461 -7.658 -1.559 203 H ALA 41 H ALA 41 12.951 -9.872 -0.848 204 HA ALA 41 HA ALA 41 12.703 -12.125 -0.979 205 HB1 ALA 41 3HB ALA 41 12.329 -11.941 -3.394 206 HB2 ALA 41 1HB ALA 41 13.205 -13.406 -2.962 207 HB3 ALA 41 2HB ALA 41 14.068 -12.038 -3.661 208 H GLN 42 H GLN 42 15.798 -11.786 -2.710 209 HA GLN 42 HA GLN 42 17.059 -13.725 -1.076 210 HB2 GLN 42 1HB GLN 42 17.770 -13.185 -3.393 211 HB3 GLN 42 2HB GLN 42 18.355 -11.629 -2.829 212 HG2 GLN 42 1HG GLN 42 19.956 -12.768 -1.369 213 HG3 GLN 42 2HG GLN 42 19.377 -14.323 -1.962 214 HE21 GLN 42 2HE2 GLN 42 19.745 -11.483 -3.968 215 HE22 GLN 42 1HE2 GLN 42 21.060 -12.088 -4.911 216 H TYR 43 H TYR 43 17.366 -10.197 -1.232 217 HA TYR 43 HA TYR 43 19.023 -10.089 1.112 218 HB2 TYR 43 1HB TYR 43 19.165 -8.467 -0.790 219 HB3 TYR 43 2HB TYR 43 17.588 -7.844 -0.323 220 HD1 TYR 43 HD1 TYR 43 20.916 -8.534 1.244 221 HD2 TYR 43 HD2 TYR 43 17.558 -5.939 0.956 222 HE1 TYR 43 HE1 TYR 43 22.012 -6.956 2.779 223 HE2 TYR 43 HE2 TYR 43 18.643 -4.357 2.488 224 HH TYR 43 HH TYR 43 20.341 -4.305 4.184 225 H CYS 44 H CYS 44 15.662 -9.430 0.299 226 HA CYS 44 HA CYS 44 14.578 -10.246 2.711 227 HB2 CYS 44 1HB CYS 44 15.673 -8.275 3.705 228 HB3 CYS 44 2HB CYS 44 14.858 -7.236 2.544 229 HG CYS 44 HG CYS 44 13.807 -8.321 5.464 230 HA PRO 45 HA PRO 45 11.343 -9.956 -0.426 231 HB2 PRO 45 1HB PRO 45 9.713 -11.353 1.575 232 HB3 PRO 45 2HB PRO 45 10.177 -11.864 -0.051 233 HG2 PRO 45 1HG PRO 45 11.215 -13.012 2.127 234 HG3 PRO 45 2HG PRO 45 12.173 -12.781 0.666 235 HD2 PRO 45 1HD PRO 45 12.155 -11.177 3.199 236 HD3 PRO 45 2HD PRO 45 13.535 -11.724 2.219 237 H CYS 46 H CYS 46 11.703 -7.660 0.920 238 HA CYS 46 HA CYS 46 8.982 -6.742 1.288 239 HB2 CYS 46 1HB CYS 46 9.746 -7.401 3.561 240 HB3 CYS 46 2HB CYS 46 11.124 -6.323 3.399 241 HG CYS 46 HG CYS 46 8.530 -4.474 2.841 242 H LEU 47 H LEU 47 11.968 -5.199 2.297 243 HA LEU 47 HA LEU 47 12.802 -3.169 1.892 244 HB2 LEU 47 1HB LEU 47 12.298 -3.645 -1.008 245 HB3 LEU 47 2HB LEU 47 13.641 -2.824 -0.236 246 HG LEU 47 HG LEU 47 13.109 -5.779 -0.266 247 HD11 LEU 47 1HD1 LEU 47 15.222 -5.825 -1.485 248 HD12 LEU 47 2HD1 LEU 47 15.247 -4.063 -1.465 249 HD13 LEU 47 3HD1 LEU 47 13.964 -4.917 -2.320 250 HD21 LEU 47 3HD2 LEU 47 14.049 -5.112 1.898 251 HD22 LEU 47 1HD2 LEU 47 15.367 -4.285 1.066 252 HD23 LEU 47 2HD2 LEU 47 15.204 -6.038 0.939 253 H TYR 48 H TYR 48 10.866 -2.773 -1.070 254 HA TYR 48 HA TYR 48 9.468 -0.604 0.298 255 HB2 TYR 48 1HB TYR 48 10.485 1.169 -1.072 256 HB3 TYR 48 2HB TYR 48 11.662 0.359 -0.046 257 HD1 TYR 48 HD2 TYR 48 13.398 -1.036 -1.015 258 HD2 TYR 48 HD1 TYR 48 10.566 0.945 -3.487 259 HE1 TYR 48 HE2 TYR 48 14.813 -1.472 -2.973 260 HE2 TYR 48 HE1 TYR 48 11.976 0.523 -5.454 261 HH TYR 48 HH TYR 48 14.316 0.064 -5.973 262 H ILE 49 H ILE 49 8.556 0.979 -1.416 263 HA ILE 49 HA ILE 49 6.924 -0.598 -3.256 264 HB ILE 49 HB ILE 49 5.810 0.891 -1.643 265 HG12 ILE 49 1HG1 ILE 49 4.988 0.536 -4.117 266 HG13 ILE 49 2HG1 ILE 49 4.160 1.648 -3.030 267 HG21 ILE 49 1HG2 ILE 49 7.496 2.589 -1.403 268 HG22 ILE 49 2HG2 ILE 49 5.956 3.323 -1.857 269 HG23 ILE 49 3HG2 ILE 49 7.229 3.124 -3.063 270 HD11 ILE 49 3HD1 ILE 49 4.418 2.633 -5.221 271 HD12 ILE 49 1HD1 ILE 49 6.164 2.384 -5.154 272 HD13 ILE 49 2HD1 ILE 49 5.393 3.514 -4.042 273 H VAL 50 H VAL 50 7.107 -0.436 -5.449 274 HA VAL 50 HA VAL 50 9.539 0.944 -6.307 275 HB VAL 50 HB VAL 50 9.427 -0.549 -8.303 276 HG11 VAL 50 1HG1 VAL 50 10.814 -1.115 -6.382 277 HG12 VAL 50 2HG1 VAL 50 10.119 -2.572 -7.095 278 HG13 VAL 50 3HG1 VAL 50 9.442 -1.907 -5.608 279 HG21 VAL 50 3HG2 VAL 50 7.944 -2.500 -8.214 280 HG22 VAL 50 1HG2 VAL 50 7.040 -0.990 -8.330 281 HG23 VAL 50 2HG2 VAL 50 7.158 -1.830 -6.784 282 H GLN 51 H GLN 51 6.120 1.209 -6.774 283 HA GLN 51 HA GLN 51 6.477 3.293 -8.704 284 HB2 GLN 51 1HB GLN 51 6.398 2.071 -10.571 285 HB3 GLN 51 2HB GLN 51 6.147 0.599 -9.647 286 HG2 GLN 51 1HG GLN 51 3.731 1.048 -9.629 287 HG3 GLN 51 2HG GLN 51 4.008 2.492 -10.601 288 HE21 GLN 51 2HE2 GLN 51 2.475 0.048 -11.148 289 HE22 GLN 51 1HE2 GLN 51 3.110 -0.570 -12.631 290 H VAL 52 H VAL 52 4.728 4.610 -8.849 291 HA VAL 52 HA VAL 52 2.170 3.680 -7.783 292 HB VAL 52 HB VAL 52 3.502 4.880 -5.972 293 HG11 VAL 52 1HG1 VAL 52 2.986 7.200 -7.807 294 HG12 VAL 52 2HG1 VAL 52 4.526 6.661 -7.131 295 HG13 VAL 52 3HG1 VAL 52 3.304 7.395 -6.082 296 HG21 VAL 52 3HG2 VAL 52 1.120 4.532 -5.790 297 HG22 VAL 52 1HG2 VAL 52 0.811 5.966 -6.764 298 HG23 VAL 52 2HG2 VAL 52 1.546 6.127 -5.168 299 H PHE 53 H PHE 53 0.400 5.142 -8.384 300 HA PHE 53 HA PHE 53 0.988 6.700 -10.784 301 HB2 PHE 53 1HB PHE 53 -1.559 5.230 -10.076 302 HB3 PHE 53 2HB PHE 53 -1.315 6.200 -11.520 303 HD1 PHE 53 HD1 PHE 53 0.281 5.434 -13.254 304 HD2 PHE 53 HD2 PHE 53 -0.774 3.005 -9.924 305 HE1 PHE 53 HE1 PHE 53 1.145 3.453 -14.429 306 HE2 PHE 53 HE2 PHE 53 0.089 1.019 -11.094 307 HZ PHE 53 HZ PHE 53 1.049 1.243 -13.349 308 H ASP 54 H ASP 54 0.457 8.727 -10.720 309 HA ASP 54 HA ASP 54 0.455 9.971 -8.233 310 HB2 ASP 54 1HB ASP 54 1.489 10.921 -10.240 311 HB3 ASP 54 2HB ASP 54 -0.106 11.225 -10.919 312 H ASN 55 H ASN 55 -2.255 9.055 -10.087 313 HA ASN 55 HA ASN 55 -3.961 11.067 -8.843 314 HB2 ASN 55 1HB ASN 55 -4.353 9.391 -11.320 315 HB3 ASN 55 2HB ASN 55 -5.636 10.361 -10.600 316 HD21 ASN 55 2HD2 ASN 55 -2.634 10.409 -12.334 317 HD22 ASN 55 1HD2 ASN 55 -2.663 12.089 -12.744 318 H THR 56 H THR 56 -2.863 8.277 -8.012 319 HA THR 56 HA THR 56 -5.427 6.979 -7.395 320 HB THR 56 HB THR 56 -4.154 5.016 -6.833 321 HG1 THR 56 HG1 THR 56 -1.733 6.409 -7.363 322 HG21 THR 56 3HG2 THR 56 -4.472 5.472 -9.232 323 HG22 THR 56 1HG2 THR 56 -2.995 4.563 -8.908 324 HG23 THR 56 2HG2 THR 56 -2.905 6.293 -9.256 325 HA PRO 57 HA PRO 57 -5.610 8.574 -3.337 326 HB2 PRO 57 1HB PRO 57 -5.760 6.188 -1.844 327 HB3 PRO 57 2HB PRO 57 -7.121 7.103 -2.489 328 HG2 PRO 57 1HG PRO 57 -5.770 4.690 -3.597 329 HG3 PRO 57 2HG PRO 57 -7.481 5.139 -3.641 330 HD2 PRO 57 1HD PRO 57 -5.938 5.387 -5.804 331 HD3 PRO 57 2HD PRO 57 -7.178 6.603 -5.423 332 H ALA 58 H ALA 58 -3.580 5.725 -3.736 333 HA ALA 58 HA ALA 58 -1.835 6.005 -1.597 334 HB1 ALA 58 3HB ALA 58 -0.283 4.649 -2.871 335 HB2 ALA 58 1HB ALA 58 -1.186 4.974 -4.349 336 HB3 ALA 58 2HB ALA 58 -1.926 4.043 -3.048 337 H ALA 59 H ALA 59 -1.216 7.132 -4.967 338 HA ALA 59 HA ALA 59 1.102 8.626 -4.145 339 HB1 ALA 59 3HB ALA 59 0.977 7.844 -6.399 340 HB2 ALA 59 1HB ALA 59 0.964 9.604 -6.420 341 HB3 ALA 59 2HB ALA 59 -0.541 8.707 -6.675 342 H LEU 60 H LEU 60 -2.104 9.485 -5.252 343 HA LEU 60 HA LEU 60 -2.193 12.183 -5.200 344 HB2 LEU 60 1HB LEU 60 -3.892 10.312 -5.707 345 HB3 LEU 60 2HB LEU 60 -4.368 10.480 -4.033 346 HG LEU 60 HG LEU 60 -5.901 11.636 -5.489 347 HD11 LEU 60 1HD1 LEU 60 -4.257 13.579 -3.883 348 HD12 LEU 60 2HD1 LEU 60 -5.555 12.554 -3.268 349 HD13 LEU 60 3HD1 LEU 60 -5.913 13.826 -4.437 350 HD21 LEU 60 3HD2 LEU 60 -3.582 13.372 -6.310 351 HD22 LEU 60 1HD2 LEU 60 -5.253 13.512 -6.853 352 HD23 LEU 60 2HD2 LEU 60 -4.293 12.099 -7.299 353 H ASP 61 H ASP 61 -3.568 10.381 -2.467 354 HA ASP 61 HA ASP 61 -3.148 12.730 -0.785 355 HB2 ASP 61 1HB ASP 61 -5.422 11.783 -0.966 356 HB3 ASP 61 2HB ASP 61 -4.833 10.274 -0.280 357 H GLY 62 H GLY 62 -2.233 9.393 -1.086 358 HA2 GLY 62 1HA GLY 62 -1.552 9.057 1.690 359 HA3 GLY 62 2HA GLY 62 -1.239 7.917 0.398 360 H THR 63 H THR 63 0.261 9.830 -1.164 361 HA THR 63 HA THR 63 2.365 10.557 -1.538 362 HB THR 63 HB THR 63 3.598 11.723 0.114 363 HG1 THR 63 HG1 THR 63 2.249 10.035 1.927 364 HG21 THR 63 3HG2 THR 63 1.582 12.855 -0.496 365 HG22 THR 63 1HG2 THR 63 1.845 13.096 1.232 366 HG23 THR 63 2HG2 THR 63 0.652 11.918 0.673 367 H VAL 64 H VAL 64 1.584 7.789 -0.585 368 HA VAL 64 HA VAL 64 4.153 6.660 0.141 369 HB VAL 64 HB VAL 64 2.949 4.445 -0.080 370 HG11 VAL 64 1HG1 VAL 64 1.761 6.418 1.833 371 HG12 VAL 64 2HG1 VAL 64 3.430 5.862 1.931 372 HG13 VAL 64 3HG1 VAL 64 2.102 4.702 2.105 373 HG21 VAL 64 3HG2 VAL 64 0.512 4.507 -0.020 374 HG22 VAL 64 1HG2 VAL 64 1.096 5.234 -1.516 375 HG23 VAL 64 2HG2 VAL 64 0.532 6.261 -0.198 376 H ALA 65 H ALA 65 4.713 7.866 -1.848 377 HA ALA 65 HA ALA 65 4.114 6.556 -4.370 378 HB1 ALA 65 3HB ALA 65 5.323 8.407 -5.393 379 HB2 ALA 65 1HB ALA 65 5.844 8.963 -3.803 380 HB3 ALA 65 2HB ALA 65 4.135 9.004 -4.236 381 H ALA 66 H ALA 66 6.144 6.482 -5.916 382 HA ALA 66 HA ALA 66 7.672 4.295 -5.117 383 HB1 ALA 66 3HB ALA 66 8.940 4.624 -7.149 384 HB2 ALA 66 1HB ALA 66 8.342 6.278 -7.287 385 HB3 ALA 66 2HB ALA 66 7.229 4.922 -7.460 386 H GLY 67 H GLY 67 8.989 4.356 -3.422 387 HA2 GLY 67 1HA GLY 67 11.405 5.207 -3.049 388 HA3 GLY 67 2HA GLY 67 10.598 6.767 -2.957 389 H ASP 68 H ASP 68 8.296 4.963 -1.735 390 HA ASP 68 HA ASP 68 9.166 5.382 1.017 391 HB2 ASP 68 1HB ASP 68 6.776 5.816 -0.076 392 HB3 ASP 68 2HB ASP 68 6.534 4.136 0.360 393 H GLU 69 H GLU 69 8.697 3.617 2.625 394 HA GLU 69 HA GLU 69 9.411 1.015 1.447 395 HB2 GLU 69 1HB GLU 69 10.095 2.318 4.044 396 HB3 GLU 69 2HB GLU 69 9.989 0.567 3.985 397 HG2 GLU 69 1HG GLU 69 12.264 1.226 3.691 398 HG3 GLU 69 2HG GLU 69 11.662 0.557 2.177 399 H ILE 70 H ILE 70 8.132 -0.733 1.791 400 HA ILE 70 HA ILE 70 5.707 -0.338 3.437 401 HB ILE 70 HB ILE 70 5.707 -2.125 1.029 402 HG12 ILE 70 1HG1 ILE 70 6.433 0.111 0.229 403 HG13 ILE 70 2HG1 ILE 70 4.866 -0.379 -0.402 404 HG21 ILE 70 1HG2 ILE 70 3.888 -2.335 2.612 405 HG22 ILE 70 2HG2 ILE 70 3.302 -1.687 1.080 406 HG23 ILE 70 3HG2 ILE 70 3.534 -0.613 2.459 407 HD11 ILE 70 3HD1 ILE 70 4.816 1.946 0.160 408 HD12 ILE 70 1HD1 ILE 70 5.388 1.600 1.796 409 HD13 ILE 70 2HD1 ILE 70 3.790 1.053 1.290 410 H THR 71 H THR 71 5.534 -1.849 5.047 411 HA THR 71 HA THR 71 6.897 -4.428 4.647 412 HB THR 71 HB THR 71 8.263 -2.890 6.097 413 HG1 THR 71 HG1 THR 71 8.465 -5.163 6.258 414 HG21 THR 71 3HG2 THR 71 6.305 -3.406 8.311 415 HG22 THR 71 1HG2 THR 71 6.120 -1.994 7.264 416 HG23 THR 71 2HG2 THR 71 7.595 -2.192 8.209 417 H GLY 72 H GLY 72 4.051 -2.814 5.514 418 HA2 GLY 72 1HA GLY 72 2.866 -5.378 6.168 419 HA3 GLY 72 2HA GLY 72 2.813 -4.179 7.455 420 H VAL 73 H VAL 73 0.701 -5.491 6.092 421 HA VAL 73 HA VAL 73 -0.685 -3.222 4.846 422 HB VAL 73 HB VAL 73 -1.968 -4.754 3.568 423 HG11 VAL 73 1HG1 VAL 73 -0.368 -5.781 2.199 424 HG12 VAL 73 2HG1 VAL 73 0.769 -5.948 3.542 425 HG13 VAL 73 3HG1 VAL 73 0.407 -4.349 2.879 426 HG21 VAL 73 3HG2 VAL 73 -1.855 -7.174 3.776 427 HG22 VAL 73 1HG2 VAL 73 -2.333 -6.451 5.312 428 HG23 VAL 73 2HG2 VAL 73 -0.678 -7.021 5.082 429 H ASN 74 H ASN 74 -2.750 -2.771 5.638 430 HA ASN 74 HA ASN 74 -4.589 -2.866 6.992 431 HB2 ASN 74 1HB ASN 74 -4.499 -5.234 5.900 432 HB3 ASN 74 2HB ASN 74 -3.987 -5.765 7.492 433 HD21 ASN 74 2HD2 ASN 74 -6.583 -4.459 5.651 434 HD22 ASN 74 1HD2 ASN 74 -7.809 -4.772 6.818 435 H GLY 75 H GLY 75 -1.734 -2.617 8.053 436 HA2 GLY 75 1HA GLY 75 -1.148 -1.810 10.192 437 HA3 GLY 75 2HA GLY 75 -2.478 -2.731 10.876 438 H ARG 76 H ARG 76 -1.165 -4.950 8.932 439 HA ARG 76 HA ARG 76 0.648 -5.891 11.029 440 HB2 ARG 76 1HB ARG 76 -0.210 -8.133 10.472 441 HB3 ARG 76 2HB ARG 76 -1.439 -7.075 11.126 442 HG2 ARG 76 1HG ARG 76 -1.903 -6.608 8.590 443 HG3 ARG 76 2HG ARG 76 -1.129 -8.181 8.387 444 HD2 ARG 76 1HD ARG 76 -3.486 -8.536 8.570 445 HD3 ARG 76 2HD ARG 76 -2.732 -9.101 10.061 446 HE ARG 76 HE ARG 76 -3.593 -6.389 10.263 447 HH11 ARG 76 1HH1 ARG 76 -4.702 -9.702 10.411 448 HH12 ARG 76 2HH1 ARG 76 -6.079 -9.328 11.399 449 HH21 ARG 76 1HH2 ARG 76 -5.391 -5.892 11.565 450 HH22 ARG 76 2HH2 ARG 76 -6.462 -7.160 12.067 451 H SER 77 H SER 77 2.496 -6.967 10.396 452 HA SER 77 HA SER 77 3.808 -6.215 8.089 453 HB2 SER 77 1HB SER 77 4.303 -8.780 9.614 454 HB3 SER 77 2HB SER 77 5.477 -7.849 8.685 455 HG SER 77 HG SER 77 5.512 -6.312 10.222 456 H ILE 78 H ILE 78 4.334 -7.263 6.114 457 HA ILE 78 HA ILE 78 2.122 -8.735 4.996 458 HB ILE 78 HB ILE 78 3.161 -8.495 2.910 459 HG12 ILE 78 1HG1 ILE 78 5.358 -9.462 3.727 460 HG13 ILE 78 2HG1 ILE 78 5.442 -8.242 2.487 461 HG21 ILE 78 1HG2 ILE 78 2.495 -6.348 3.946 462 HG22 ILE 78 2HG2 ILE 78 3.748 -6.186 2.721 463 HG23 ILE 78 3HG2 ILE 78 4.170 -6.107 4.431 464 HD11 ILE 78 3HD1 ILE 78 5.990 -7.828 5.404 465 HD12 ILE 78 1HD1 ILE 78 6.065 -6.576 4.165 466 HD13 ILE 78 2HD1 ILE 78 7.194 -7.930 4.120 467 H LYS 79 H LYS 79 4.859 -9.443 6.693 468 HA LYS 79 HA LYS 79 6.122 -11.544 5.398 469 HB2 LYS 79 1HB LYS 79 7.135 -10.273 7.168 470 HB3 LYS 79 2HB LYS 79 5.920 -10.804 8.313 471 HG2 LYS 79 1HG LYS 79 6.812 -13.164 7.895 472 HG3 LYS 79 2HG LYS 79 8.176 -12.374 7.101 473 HD2 LYS 79 1HD LYS 79 7.286 -12.017 9.961 474 HD3 LYS 79 2HD LYS 79 8.748 -12.827 9.402 475 HE2 LYS 79 1HE LYS 79 9.689 -10.781 8.637 476 HE3 LYS 79 2HE LYS 79 8.162 -9.925 8.855 477 HZ1 LYS 79 3HZ LYS 79 9.735 -9.449 10.635 478 HZ2 LYS 79 1HZ LYS 79 9.797 -11.086 11.045 479 HZ3 LYS 79 2HZ LYS 79 8.358 -10.219 11.230 480 H GLY 80 H GLY 80 3.130 -11.521 7.098 481 HA2 GLY 80 1HA GLY 80 2.947 -14.222 7.851 482 HA3 GLY 80 2HA GLY 80 1.586 -13.186 7.445 483 H LYS 81 H LYS 81 2.709 -12.667 4.737 484 HA LYS 81 HA LYS 81 2.579 -15.302 3.502 485 HB2 LYS 81 1HB LYS 81 0.898 -14.507 1.845 486 HB3 LYS 81 2HB LYS 81 0.275 -14.657 3.477 487 HG2 LYS 81 1HG LYS 81 1.170 -12.037 2.300 488 HG3 LYS 81 2HG LYS 81 -0.481 -12.639 2.177 489 HD2 LYS 81 1HD LYS 81 1.027 -12.043 4.722 490 HD3 LYS 81 2HD LYS 81 -0.260 -11.076 4.021 491 HE2 LYS 81 1HE LYS 81 -1.740 -13.127 4.183 492 HE3 LYS 81 2HE LYS 81 -0.473 -13.846 5.173 493 HZ1 LYS 81 3HZ LYS 81 -2.230 -12.812 6.489 494 HZ2 LYS 81 1HZ LYS 81 -1.879 -11.312 5.794 495 HZ3 LYS 81 2HZ LYS 81 -0.731 -12.084 6.766 496 H THR 82 H THR 82 1.960 -13.026 1.173 497 HA THR 82 HA THR 82 4.611 -11.990 0.800 498 HB THR 82 HB THR 82 4.837 -14.333 -0.044 499 HG1 THR 82 HG1 THR 82 6.261 -13.271 -1.198 500 HG21 THR 82 3HG2 THR 82 2.599 -14.724 -0.856 501 HG22 THR 82 1HG2 THR 82 3.742 -14.901 -2.188 502 HG23 THR 82 2HG2 THR 82 2.773 -13.434 -2.046 503 H LYS 83 H LYS 83 4.644 -10.969 -1.519 504 HA LYS 83 HA LYS 83 3.005 -8.803 -1.499 505 HB2 LYS 83 1HB LYS 83 3.595 -9.141 -4.181 506 HB3 LYS 83 2HB LYS 83 4.577 -8.307 -2.983 507 HG2 LYS 83 1HG LYS 83 5.963 -10.149 -2.647 508 HG3 LYS 83 2HG LYS 83 4.795 -11.273 -3.341 509 HD2 LYS 83 1HD LYS 83 6.681 -10.902 -4.837 510 HD3 LYS 83 2HD LYS 83 5.174 -10.319 -5.544 511 HE2 LYS 83 1HE LYS 83 5.781 -8.034 -4.757 512 HE3 LYS 83 2HE LYS 83 7.345 -8.677 -4.260 513 HZ1 LYS 83 3HZ LYS 83 6.327 -8.987 -7.006 514 HZ2 LYS 83 1HZ LYS 83 7.910 -9.169 -6.451 515 HZ3 LYS 83 2HZ LYS 83 7.220 -7.629 -6.531 516 H VAL 84 H VAL 84 2.548 -11.534 -3.806 517 HA VAL 84 HA VAL 84 0.339 -10.503 -5.060 518 HB VAL 84 HB VAL 84 1.573 -12.336 -5.990 519 HG11 VAL 84 1HG1 VAL 84 0.575 -13.942 -3.648 520 HG12 VAL 84 2HG1 VAL 84 2.244 -13.490 -3.989 521 HG13 VAL 84 3HG1 VAL 84 1.400 -14.613 -5.053 522 HG21 VAL 84 3HG2 VAL 84 -1.229 -13.129 -5.307 523 HG22 VAL 84 1HG2 VAL 84 -0.258 -13.835 -6.595 524 HG23 VAL 84 2HG2 VAL 84 -0.716 -12.134 -6.668 525 H GLU 85 H GLU 85 0.542 -12.333 -2.092 526 HA GLU 85 HA GLU 85 -2.273 -12.742 -1.837 527 HB2 GLU 85 1HB GLU 85 -0.075 -13.010 0.213 528 HB3 GLU 85 2HB GLU 85 -1.706 -13.648 0.357 529 HG2 GLU 85 1HG GLU 85 -1.266 -15.054 -1.635 530 HG3 GLU 85 2HG GLU 85 0.397 -14.484 -1.618 531 H VAL 86 H VAL 86 0.048 -10.374 -0.625 532 HA VAL 86 HA VAL 86 -1.771 -9.292 1.296 533 HB VAL 86 HB VAL 86 -0.213 -7.455 1.553 534 HG11 VAL 86 1HG1 VAL 86 0.109 -9.852 2.491 535 HG12 VAL 86 2HG1 VAL 86 1.390 -8.663 2.671 536 HG13 VAL 86 3HG1 VAL 86 1.501 -9.886 1.401 537 HG21 VAL 86 3HG2 VAL 86 1.943 -7.453 0.361 538 HG22 VAL 86 1HG2 VAL 86 0.562 -7.099 -0.680 539 HG23 VAL 86 2HG2 VAL 86 1.299 -8.700 -0.707 540 H ALA 87 H ALA 87 -0.774 -8.304 -1.942 541 HA ALA 87 HA ALA 87 -2.404 -6.093 -2.340 542 HB1 ALA 87 3HB ALA 87 -0.897 -6.889 -4.065 543 HB2 ALA 87 1HB ALA 87 -2.538 -6.740 -4.695 544 HB3 ALA 87 2HB ALA 87 -1.887 -8.332 -4.293 545 H LYS 88 H LYS 88 -3.262 -9.530 -2.333 546 HA LYS 88 HA LYS 88 -5.984 -9.191 -2.984 547 HB2 LYS 88 1HB LYS 88 -4.977 -11.390 -3.041 548 HB3 LYS 88 2HB LYS 88 -4.675 -11.327 -1.311 549 HG2 LYS 88 1HG LYS 88 -6.966 -11.427 -0.816 550 HG3 LYS 88 2HG LYS 88 -7.424 -11.128 -2.494 551 HD2 LYS 88 1HD LYS 88 -6.286 -13.260 -3.101 552 HD3 LYS 88 2HD LYS 88 -6.082 -13.587 -1.380 553 HE2 LYS 88 1HE LYS 88 -8.734 -13.142 -2.747 554 HE3 LYS 88 2HE LYS 88 -8.049 -14.723 -2.382 555 HZ1 LYS 88 3HZ LYS 88 -9.623 -14.092 -0.700 556 HZ2 LYS 88 1HZ LYS 88 -8.808 -12.642 -0.403 557 HZ3 LYS 88 2HZ LYS 88 -8.074 -14.116 -0.024 558 H MET 89 H MET 89 -4.328 -9.420 0.169 559 HA MET 89 HA MET 89 -6.461 -9.155 1.846 560 HB2 MET 89 1HB MET 89 -3.654 -8.190 2.059 561 HB3 MET 89 2HB MET 89 -4.775 -8.178 3.375 562 HG2 MET 89 1HG MET 89 -5.002 -10.623 3.171 563 HG3 MET 89 2HG MET 89 -3.756 -10.581 1.925 564 HE1 MET 89 3HE MET 89 -3.047 -9.419 6.337 565 HE2 MET 89 1HE MET 89 -4.608 -9.896 5.672 566 HE3 MET 89 2HE MET 89 -3.886 -8.355 5.209 567 H ILE 90 H ILE 90 -4.462 -6.668 0.367 568 HA ILE 90 HA ILE 90 -5.620 -4.401 1.461 569 HB ILE 90 HB ILE 90 -4.376 -4.863 -1.245 570 HG12 ILE 90 1HG1 ILE 90 -2.881 -5.120 0.676 571 HG13 ILE 90 2HG1 ILE 90 -2.452 -3.696 -0.263 572 HG21 ILE 90 1HG2 ILE 90 -4.259 -2.503 -1.608 573 HG22 ILE 90 2HG2 ILE 90 -5.010 -2.175 -0.039 574 HG23 ILE 90 3HG2 ILE 90 -5.947 -2.939 -1.325 575 HD11 ILE 90 3HD1 ILE 90 -2.294 -3.199 2.077 576 HD12 ILE 90 1HD1 ILE 90 -3.948 -3.747 2.346 577 HD13 ILE 90 2HD1 ILE 90 -3.644 -2.300 1.387 578 H GLN 91 H GLN 91 -6.469 -5.966 -1.669 579 HA GLN 91 HA GLN 91 -8.696 -4.204 -1.994 580 HB2 GLN 91 1HB GLN 91 -9.084 -5.354 -4.039 581 HB3 GLN 91 2HB GLN 91 -7.355 -5.150 -3.864 582 HG2 GLN 91 1HG GLN 91 -7.312 -7.495 -2.961 583 HG3 GLN 91 2HG GLN 91 -8.975 -7.645 -3.511 584 HE21 GLN 91 2HE2 GLN 91 -5.658 -7.304 -4.483 585 HE22 GLN 91 1HE2 GLN 91 -5.895 -7.719 -6.147 586 H GLU 92 H GLU 92 -8.241 -7.273 -0.498 587 HA GLU 92 HA GLU 92 -10.767 -8.430 -0.696 588 HB2 GLU 92 1HB GLU 92 -8.863 -9.633 0.176 589 HB3 GLU 92 2HB GLU 92 -8.724 -8.543 1.532 590 HG2 GLU 92 1HG GLU 92 -9.751 -10.333 2.499 591 HG3 GLU 92 2HG GLU 92 -11.139 -9.358 2.035 592 H VAL 93 H VAL 93 -9.463 -6.308 1.822 593 HA VAL 93 HA VAL 93 -11.760 -6.228 3.417 594 HB VAL 93 HB VAL 93 -10.821 -4.317 4.527 595 HG11 VAL 93 1HG1 VAL 93 -8.665 -6.210 3.599 596 HG12 VAL 93 2HG1 VAL 93 -9.754 -6.442 4.969 597 HG13 VAL 93 3HG1 VAL 93 -8.553 -5.149 5.005 598 HG21 VAL 93 3HG2 VAL 93 -10.234 -2.944 2.604 599 HG22 VAL 93 1HG2 VAL 93 -8.941 -4.064 2.176 600 HG23 VAL 93 2HG2 VAL 93 -8.840 -3.131 3.669 601 H LYS 94 H LYS 94 -10.928 -4.524 0.524 602 HA LYS 94 HA LYS 94 -12.044 -3.150 -0.882 603 HB2 LYS 94 1HB LYS 94 -13.787 -4.917 -0.607 604 HB3 LYS 94 2HB LYS 94 -14.512 -3.945 0.666 605 HG2 LYS 94 1HG LYS 94 -14.973 -2.167 -0.909 606 HG3 LYS 94 2HG LYS 94 -14.162 -3.067 -2.191 607 HD2 LYS 94 1HD LYS 94 -16.505 -3.386 -2.472 608 HD3 LYS 94 2HD LYS 94 -15.841 -4.895 -1.848 609 HE2 LYS 94 1HE LYS 94 -17.913 -4.393 -0.716 610 HE3 LYS 94 2HE LYS 94 -16.572 -4.243 0.417 611 HZ1 LYS 94 3HZ LYS 94 -16.657 -1.872 0.214 612 HZ2 LYS 94 1HZ LYS 94 -18.207 -2.432 0.589 613 HZ3 LYS 94 2HZ LYS 94 -17.839 -1.958 -0.991 614 H GLY 95 H GLY 95 -12.494 -0.980 -1.070 615 HA2 GLY 95 1HA GLY 95 -13.534 1.021 -0.448 616 HA3 GLY 95 2HA GLY 95 -13.856 0.345 1.134 617 H GLU 96 H GLU 96 -11.276 -0.324 1.981 618 HA GLU 96 HA GLU 96 -10.016 2.305 2.062 619 HB2 GLU 96 1HB GLU 96 -9.733 2.173 4.418 620 HB3 GLU 96 2HB GLU 96 -11.424 1.810 4.095 621 HG2 GLU 96 1HG GLU 96 -11.037 -0.518 4.354 622 HG3 GLU 96 2HG GLU 96 -9.311 -0.280 4.470 623 H VAL 97 H VAL 97 -7.872 2.048 3.277 624 HA VAL 97 HA VAL 97 -6.478 -0.459 2.754 625 HB VAL 97 HB VAL 97 -4.691 0.476 1.465 626 HG11 VAL 97 1HG1 VAL 97 -6.661 -0.175 0.163 627 HG12 VAL 97 2HG1 VAL 97 -5.764 1.136 -0.603 628 HG13 VAL 97 3HG1 VAL 97 -7.261 1.483 0.261 629 HG21 VAL 97 3HG2 VAL 97 -4.532 2.644 2.516 630 HG22 VAL 97 1HG2 VAL 97 -6.051 3.145 1.772 631 HG23 VAL 97 2HG2 VAL 97 -4.637 2.831 0.766 632 H THR 98 H THR 98 -4.473 -0.610 3.937 633 HA THR 98 HA THR 98 -3.731 1.727 5.521 634 HB THR 98 HB THR 98 -3.814 -0.975 6.839 635 HG1 THR 98 HG1 THR 98 -5.904 0.785 6.283 636 HG21 THR 98 3HG2 THR 98 -3.936 1.832 7.945 637 HG22 THR 98 1HG2 THR 98 -2.462 0.873 7.809 638 HG23 THR 98 2HG2 THR 98 -3.766 0.335 8.864 639 H ILE 99 H ILE 99 -1.813 2.067 4.493 640 HA ILE 99 HA ILE 99 0.070 -0.105 4.057 641 HB ILE 99 HB ILE 99 1.587 2.037 3.553 642 HG12 ILE 99 1HG1 ILE 99 -0.488 3.459 4.257 643 HG13 ILE 99 2HG1 ILE 99 0.484 3.956 2.879 644 HG21 ILE 99 1HG2 ILE 99 1.127 0.273 1.969 645 HG22 ILE 99 2HG2 ILE 99 0.965 1.854 1.201 646 HG23 ILE 99 3HG2 ILE 99 -0.476 0.942 1.658 647 HD11 ILE 99 3HD1 ILE 99 -1.921 4.154 2.462 648 HD12 ILE 99 1HD1 ILE 99 -2.102 2.420 2.719 649 HD13 ILE 99 2HD1 ILE 99 -1.153 3.016 1.357 650 H HIS 100 H HIS 100 2.024 -0.368 5.155 651 HA HIS 100 HA HIS 100 2.600 1.414 7.389 652 HB2 HIS 100 1HB HIS 100 1.610 -1.365 7.654 653 HB3 HIS 100 2HB HIS 100 2.976 -0.936 8.672 654 HD1 HIS 100 HD1 HIS 100 2.535 0.644 10.634 655 HD2 HIS 100 HD2 HIS 100 -0.808 -0.040 8.261 656 HE1 HIS 100 HE1 HIS 100 0.578 1.502 11.956 657 HE2 HIS 100 HE2 HIS 100 -1.423 1.179 10.463 658 H TYR 101 H TYR 101 4.716 1.801 7.450 659 HA TYR 101 HA TYR 101 6.491 -0.257 8.061 660 HB2 TYR 101 1HB TYR 101 6.499 -0.607 5.553 661 HB3 TYR 101 2HB TYR 101 7.199 0.992 5.394 662 HD1 TYR 101 HD2 TYR 101 8.740 0.023 8.262 663 HD2 TYR 101 HD1 TYR 101 8.642 -1.131 4.169 664 HE1 TYR 101 HE2 TYR 101 10.970 -0.978 8.496 665 HE2 TYR 101 HE1 TYR 101 10.869 -2.140 4.398 666 HH TYR 101 HH TYR 101 12.317 -2.742 7.378 667 H ASN 102 H ASN 102 8.113 2.063 6.220 668 HA ASN 102 HA ASN 102 8.332 4.115 8.119 669 HB2 ASN 102 1HB ASN 102 9.312 1.824 9.180 670 HB3 ASN 102 2HB ASN 102 10.781 2.444 8.419 671 HD21 ASN 102 2HD2 ASN 102 8.353 3.034 10.814 672 HD22 ASN 102 1HD2 ASN 102 9.208 4.291 11.643 673 H LYS 103 H LYS 103 11.021 4.780 7.893 674 HA LYS 103 HA LYS 103 11.015 5.503 5.045 675 HB2 LYS 103 1HB LYS 103 11.673 6.938 7.549 676 HB3 LYS 103 2HB LYS 103 12.659 7.324 6.149 677 HG2 LYS 103 1HG LYS 103 10.690 8.821 6.528 678 HG3 LYS 103 2HG LYS 103 10.788 8.099 4.924 679 HD2 LYS 103 1HD LYS 103 9.241 6.510 6.830 680 HD3 LYS 103 2HD LYS 103 8.568 8.114 6.538 681 HE2 LYS 103 1HE LYS 103 8.657 7.680 4.111 682 HE3 LYS 103 2HE LYS 103 9.267 6.062 4.439 683 HZ1 LYS 103 3HZ LYS 103 7.220 5.510 5.531 684 HZ2 LYS 103 1HZ LYS 103 6.875 6.116 3.986 685 HZ3 LYS 103 2HZ LYS 103 6.639 7.091 5.354 686 H LEU 104 H LEU 104 12.252 3.053 6.016 687 HA LEU 104 HA LEU 104 14.660 3.297 4.541 688 HB2 LEU 104 1HB LEU 104 16.038 2.241 6.485 689 HB3 LEU 104 2HB LEU 104 15.883 3.984 6.346 690 HG LEU 104 HG LEU 104 14.011 3.816 8.052 691 HD11 LEU 104 1HD1 LEU 104 15.210 1.101 8.559 692 HD12 LEU 104 2HD1 LEU 104 13.681 1.357 7.719 693 HD13 LEU 104 3HD1 LEU 104 13.858 1.859 9.404 694 HD21 LEU 104 3HD2 LEU 104 15.596 3.720 9.910 695 HD22 LEU 104 1HD2 LEU 104 16.259 4.633 8.558 696 HD23 LEU 104 2HD2 LEU 104 16.794 2.983 8.857 697 H GLN 105 H GLN 105 15.674 1.287 4.116 698 HA GLN 105 HA GLN 105 13.866 -0.974 4.507 699 HB2 GLN 105 1HB GLN 105 15.234 -2.087 2.754 700 HB3 GLN 105 2HB GLN 105 14.496 -0.589 2.202 701 HG2 GLN 105 1HG GLN 105 16.617 0.575 2.507 702 HG3 GLN 105 2HG GLN 105 17.359 -0.918 3.077 703 HE21 GLN 105 2HE2 GLN 105 18.036 0.768 0.790 704 HE22 GLN 105 1HE2 GLN 105 17.955 -0.262 -0.599 705 H ALA 106 H ALA 106 15.729 0.228 6.482 706 HA ALA 106 HA ALA 106 16.705 -0.566 8.359 707 HB1 ALA 106 3HB ALA 106 16.111 -3.223 7.097 708 HB2 ALA 106 1HB ALA 106 15.166 -2.372 8.315 709 HB3 ALA 106 2HB ALA 106 16.753 -3.026 8.723 710 H ASP 107 H ASP 107 18.557 -2.401 8.951 711 HA ASP 107 HA ASP 107 20.740 -2.103 6.999 712 HB2 ASP 107 1HB ASP 107 20.667 -1.109 9.836 713 HB3 ASP 107 2HB ASP 107 22.193 -1.597 9.115 714 HA PRO 108 HA PRO 108 21.967 -6.182 7.317 715 HB2 PRO 108 1HB PRO 108 23.991 -5.478 9.414 716 HB3 PRO 108 2HB PRO 108 24.143 -6.579 8.041 717 HG2 PRO 108 1HG PRO 108 25.064 -4.040 7.962 718 HG3 PRO 108 2HG PRO 108 24.443 -4.876 6.531 719 HD2 PRO 108 1HD PRO 108 23.307 -2.616 7.970 720 HD3 PRO 108 2HD PRO 108 22.835 -3.286 6.401 721 H LYS 109 H LYS 109 22.436 -5.124 10.746 722 HA LYS 109 HA LYS 109 21.461 -7.588 11.756 723 HB2 LYS 109 1HB LYS 109 21.377 -6.458 13.951 724 HB3 LYS 109 2HB LYS 109 22.917 -6.251 13.135 725 HG2 LYS 109 1HG LYS 109 22.363 -3.987 12.565 726 HG3 LYS 109 2HG LYS 109 20.718 -4.190 13.175 727 HD2 LYS 109 1HD LYS 109 21.561 -4.506 15.423 728 HD3 LYS 109 2HD LYS 109 23.223 -4.422 14.842 729 HE2 LYS 109 1HE LYS 109 22.511 -2.320 15.872 730 HE3 LYS 109 2HE LYS 109 22.895 -2.114 14.166 731 HZ1 LYS 109 3HZ LYS 109 20.579 -2.081 13.639 732 HZ2 LYS 109 1HZ LYS 109 20.859 -0.956 14.865 733 HZ3 LYS 109 2HZ LYS 109 20.146 -2.443 15.234 734 H GLN 110 H GLN 110 19.930 -4.420 11.508 735 HA GLN 110 HA GLN 110 17.484 -5.315 12.663 736 HB2 GLN 110 1HB GLN 110 16.801 -3.071 12.471 737 HB3 GLN 110 2HB GLN 110 18.456 -3.097 12.993 738 HG2 GLN 110 1HG GLN 110 19.114 -2.689 10.674 739 HG3 GLN 110 2HG GLN 110 17.407 -2.407 10.331 740 HE21 GLN 110 2HE2 GLN 110 17.792 -0.233 9.769 741 HE22 GLN 110 1HE2 GLN 110 18.152 0.961 10.961 742 H LEU 111 H LEU 111 18.802 -5.456 9.689 743 HA LEU 111 HA LEU 111 16.307 -5.404 8.206 744 HB2 LEU 111 1HB LEU 111 18.205 -4.410 7.177 745 HB3 LEU 111 2HB LEU 111 19.199 -5.802 7.506 746 HG LEU 111 HG LEU 111 18.502 -5.391 5.088 747 HD11 LEU 111 1HD1 LEU 111 17.828 -8.074 6.276 748 HD12 LEU 111 2HD1 LEU 111 19.430 -7.522 5.785 749 HD13 LEU 111 3HD1 LEU 111 18.166 -7.748 4.576 750 HD21 LEU 111 3HD2 LEU 111 16.186 -4.786 5.503 751 HD22 LEU 111 1HD2 LEU 111 15.858 -6.409 6.111 752 HD23 LEU 111 2HD2 LEU 111 16.290 -6.173 4.417 753 H GLU 112 H GLU 112 18.850 -7.766 9.061 754 HA GLU 112 HA GLU 112 17.448 -9.967 7.915 755 HB2 GLU 112 1HB GLU 112 19.094 -11.375 9.082 756 HB3 GLU 112 2HB GLU 112 19.861 -10.061 8.199 757 HG2 GLU 112 1HG GLU 112 20.374 -8.892 10.139 758 HG3 GLU 112 2HG GLU 112 19.213 -9.800 11.103 759 H VAL 113 H VAL 113 17.363 -8.383 10.998 760 HA VAL 113 HA VAL 113 16.071 -10.439 12.448 761 HB VAL 113 HB VAL 113 17.199 -8.353 13.373 762 HG11 VAL 113 1HG1 VAL 113 16.019 -6.720 12.034 763 HG12 VAL 113 2HG1 VAL 113 15.802 -6.417 13.758 764 HG13 VAL 113 3HG1 VAL 113 14.509 -7.164 12.823 765 HG21 VAL 113 3HG2 VAL 113 14.501 -9.141 14.430 766 HG22 VAL 113 1HG2 VAL 113 15.746 -8.279 15.336 767 HG23 VAL 113 2HG2 VAL 113 16.037 -9.930 14.786 768 H LEU 114 H LEU 114 14.980 -7.884 10.357 769 HA LEU 114 HA LEU 114 12.184 -8.505 10.649 770 HB2 LEU 114 1HB LEU 114 13.809 -6.610 9.063 771 HB3 LEU 114 2HB LEU 114 12.310 -7.124 8.319 772 HG LEU 114 HG LEU 114 12.055 -5.006 9.525 773 HD11 LEU 114 1HD1 LEU 114 10.570 -7.283 10.821 774 HD12 LEU 114 2HD1 LEU 114 10.138 -6.495 9.305 775 HD13 LEU 114 3HD1 LEU 114 10.078 -5.592 10.818 776 HD21 LEU 114 3HD2 LEU 114 13.734 -5.366 11.265 777 HD22 LEU 114 1HD2 LEU 114 12.710 -6.602 11.996 778 HD23 LEU 114 2HD2 LEU 114 12.171 -4.923 11.953 779 H PHE 115 H PHE 115 14.829 -9.606 8.734 780 HA PHE 115 HA PHE 115 13.440 -10.642 6.508 781 HB2 PHE 115 1HB PHE 115 15.889 -10.294 6.596 782 HB3 PHE 115 2HB PHE 115 16.024 -11.603 7.762 783 HD1 PHE 115 HD2 PHE 115 15.747 -13.923 7.059 784 HD2 PHE 115 HD1 PHE 115 15.550 -10.714 4.280 785 HE1 PHE 115 HE2 PHE 115 16.042 -15.514 5.207 786 HE2 PHE 115 HE1 PHE 115 15.847 -12.297 2.421 787 HZ PHE 115 HZ PHE 115 16.097 -14.698 2.886 788 H GLN 116 H GLN 116 14.514 -12.137 9.516 789 HA GLN 116 HA GLN 116 13.689 -13.806 10.785 790 HB2 GLN 116 1HB GLN 116 11.474 -12.836 10.382 791 HB3 GLN 116 2HB GLN 116 11.326 -13.777 8.905 792 HG2 GLN 116 1HG GLN 116 10.070 -14.773 10.734 793 HG3 GLN 116 2HG GLN 116 11.364 -15.838 10.183 794 HE21 GLN 116 2HE2 GLN 116 10.228 -13.790 12.747 795 HE22 GLN 116 1HE2 GLN 116 11.344 -14.336 13.951 796 H GLY 117 H GLY 117 12.600 -14.792 7.492 797 HA2 GLY 117 1HA GLY 117 14.525 -16.921 7.391 798 HA3 GLY 117 2HA GLY 117 12.928 -17.497 7.847 799 HA PRO 118 HA PRO 118 10.986 -17.111 3.777 800 HB2 PRO 118 1HB PRO 118 10.235 -14.361 3.717 801 HB3 PRO 118 2HB PRO 118 9.221 -15.749 4.080 802 HG2 PRO 118 1HG PRO 118 10.635 -13.926 5.944 803 HG3 PRO 118 2HG PRO 118 9.067 -14.738 6.131 804 HD2 PRO 118 1HD PRO 118 11.164 -15.647 7.448 805 HD3 PRO 118 2HD PRO 118 10.073 -16.798 6.643 806 H GLN 119 H GLN 119 12.408 -17.232 2.167 807 HA GLN 119 HA GLN 119 13.815 -14.781 1.353 808 HB2 GLN 119 1HB GLN 119 15.375 -16.427 2.421 809 HB3 GLN 119 2HB GLN 119 14.957 -17.575 1.157 810 HG2 GLN 119 1HG GLN 119 15.798 -15.992 -0.529 811 HG3 GLN 119 2HG GLN 119 16.276 -14.898 0.765 812 HE21 GLN 119 2HE2 GLN 119 17.124 -17.109 2.502 813 HE22 GLN 119 1HE2 GLN 119 18.633 -17.653 1.858 814 H PHE 120 H PHE 120 12.668 -17.996 0.329 815 HA PHE 120 HA PHE 120 12.575 -17.102 -2.432 816 HB2 PHE 120 1HB PHE 120 11.650 -19.423 -2.856 817 HB3 PHE 120 2HB PHE 120 13.289 -19.351 -2.234 818 HD1 PHE 120 HD2 PHE 120 9.793 -19.607 -0.928 819 HD2 PHE 120 HD1 PHE 120 13.852 -20.845 -0.601 820 HE1 PHE 120 HE2 PHE 120 9.170 -21.170 0.865 821 HE2 PHE 120 HE1 PHE 120 13.234 -22.413 1.190 822 HZ PHE 120 HZ PHE 120 10.889 -22.577 1.925 823 H THR 121 H THR 121 10.741 -16.451 0.069 824 HA THR 121 HA THR 121 8.123 -16.998 -0.967 825 HB THR 121 HB THR 121 8.948 -15.163 1.297 826 HG1 THR 121 HG1 THR 121 8.206 -17.922 1.259 827 HG21 THR 121 3HG2 THR 121 6.656 -15.523 2.108 828 HG22 THR 121 1HG2 THR 121 6.294 -16.469 0.665 829 HG23 THR 121 2HG2 THR 121 6.665 -14.751 0.524 830 H LEU 122 H LEU 122 8.737 -16.002 -3.072 831 HA LEU 122 HA LEU 122 7.759 -13.282 -3.207 832 HB2 LEU 122 1HB LEU 122 10.365 -13.363 -2.905 833 HB3 LEU 122 2HB LEU 122 10.363 -13.863 -4.582 834 HG LEU 122 HG LEU 122 10.794 -11.463 -4.328 835 HD11 LEU 122 1HD1 LEU 122 9.112 -10.626 -5.903 836 HD12 LEU 122 2HD1 LEU 122 8.175 -12.100 -5.656 837 HD13 LEU 122 3HD1 LEU 122 9.781 -12.185 -6.381 838 HD21 LEU 122 3HD2 LEU 122 9.510 -11.101 -2.283 839 HD22 LEU 122 1HD2 LEU 122 8.012 -11.323 -3.187 840 HD23 LEU 122 2HD2 LEU 122 9.065 -9.956 -3.547 841 H ARG 123 H ARG 123 6.253 -13.411 -4.745 842 HA ARG 123 HA ARG 123 6.872 -14.728 -7.255 843 HB2 ARG 123 1HB ARG 123 4.613 -15.922 -7.156 844 HB3 ARG 123 2HB ARG 123 5.927 -16.600 -6.209 845 HG2 ARG 123 1HG ARG 123 5.005 -15.494 -4.202 846 HG3 ARG 123 2HG ARG 123 3.651 -14.916 -5.179 847 HD2 ARG 123 1HD ARG 123 2.944 -17.163 -5.631 848 HD3 ARG 123 2HD ARG 123 4.385 -17.821 -4.862 849 HE ARG 123 HE ARG 123 2.767 -16.211 -3.113 850 HH11 ARG 123 1HH1 ARG 123 3.243 -19.404 -4.439 851 HH12 ARG 123 2HH1 ARG 123 2.523 -20.217 -3.089 852 HH21 ARG 123 1HH2 ARG 123 1.785 -17.276 -1.318 853 HH22 ARG 123 2HH2 ARG 123 1.690 -19.012 -1.322 854 H HIS 124 H HIS 124 6.183 -13.581 -8.893 855 HA HIS 124 HA HIS 124 4.930 -12.273 -10.253 856 HB2 HIS 124 1HB HIS 124 2.926 -12.483 -8.012 857 HB3 HIS 124 2HB HIS 124 2.630 -11.510 -9.447 858 HD1 HIS 124 HD1 HIS 124 0.989 -12.779 -10.793 859 HD2 HIS 124 HD2 HIS 124 3.953 -15.246 -9.250 860 HE1 HIS 124 HE1 HIS 124 0.535 -15.056 -11.749 861 HE2 HIS 124 HE2 HIS 124 2.465 -16.475 -10.970 862 H TRP 125 H TRP 125 5.005 -10.148 -10.751 863 HA TRP 125 HA TRP 125 6.163 -8.326 -8.882 864 HB2 TRP 125 1HB TRP 125 4.958 -7.851 -11.622 865 HB3 TRP 125 2HB TRP 125 5.842 -6.642 -10.695 866 HD1 TRP 125 HD1 TRP 125 8.503 -7.290 -10.180 867 HE1 TRP 125 HE1 TRP 125 10.187 -8.499 -11.700 868 HE3 TRP 125 HE3 TRP 125 5.221 -9.532 -13.392 869 HZ2 TRP 125 HZ2 TRP 125 10.131 -10.183 -13.966 870 HZ3 TRP 125 HZ3 TRP 125 6.118 -10.924 -15.210 871 HH2 TRP 125 HH2 TRP 125 8.521 -11.242 -15.490 872 H LEU 126 H LEU 126 5.150 -6.690 -7.681 873 HA LEU 126 HA LEU 126 2.352 -7.400 -7.265 874 HB2 LEU 126 1HB LEU 126 4.265 -7.188 -5.477 875 HB3 LEU 126 2HB LEU 126 3.798 -5.526 -5.487 876 HG LEU 126 HG LEU 126 2.812 -7.234 -3.800 877 HD11 LEU 126 1HD1 LEU 126 1.095 -5.237 -5.172 878 HD12 LEU 126 2HD1 LEU 126 2.385 -4.868 -4.038 879 HD13 LEU 126 3HD1 LEU 126 0.984 -5.789 -3.500 880 HD21 LEU 126 3HD2 LEU 126 0.728 -8.206 -4.462 881 HD22 LEU 126 1HD2 LEU 126 1.960 -8.742 -5.600 882 HD23 LEU 126 2HD2 LEU 126 0.832 -7.467 -6.056 883 H LYS 127 H LYS 127 0.769 -5.874 -6.877 884 HA LYS 127 HA LYS 127 1.074 -3.123 -7.403 885 HB2 LYS 127 1HB LYS 127 -0.280 -3.054 -9.493 886 HB3 LYS 127 2HB LYS 127 1.330 -3.716 -9.703 887 HG2 LYS 127 1HG LYS 127 0.483 -5.932 -9.871 888 HG3 LYS 127 2HG LYS 127 -1.127 -5.419 -9.365 889 HD2 LYS 127 1HD LYS 127 0.254 -4.529 -11.896 890 HD3 LYS 127 2HD LYS 127 -0.957 -5.810 -11.803 891 HE2 LYS 127 1HE LYS 127 -2.594 -4.208 -10.956 892 HE3 LYS 127 2HE LYS 127 -1.386 -2.926 -11.023 893 HZ1 LYS 127 3HZ LYS 127 -2.789 -2.811 -12.939 894 HZ2 LYS 127 1HZ LYS 127 -2.487 -4.428 -13.328 895 HZ3 LYS 127 2HZ LYS 127 -1.244 -3.289 -13.431 896 H VAL 128 H VAL 128 -0.265 -2.486 -5.862 897 HA VAL 128 HA VAL 128 -3.055 -3.082 -6.311 898 HB VAL 128 HB VAL 128 -2.415 -4.571 -4.464 899 HG11 VAL 128 1HG1 VAL 128 -1.858 -2.062 -2.926 900 HG12 VAL 128 2HG1 VAL 128 -0.667 -3.266 -3.428 901 HG13 VAL 128 3HG1 VAL 128 -1.921 -3.698 -2.265 902 HG21 VAL 128 3HG2 VAL 128 -4.671 -3.776 -4.714 903 HG22 VAL 128 1HG2 VAL 128 -4.296 -2.364 -3.728 904 HG23 VAL 128 2HG2 VAL 128 -4.255 -3.976 -3.013 Start of MODEL 11 1 H1 GLY 13 1H GLY 13 7.553 -7.498 18.035 2 H2 GLY 13 2H GLY 13 8.506 -6.251 17.410 3 H3 GLY 13 3H GLY 13 7.613 -7.230 16.367 4 HA2 GLY 13 1HA GLY 13 5.553 -6.382 17.239 5 HA3 GLY 13 2HA GLY 13 6.455 -5.412 18.395 6 H SER 14 H SER 14 5.095 -3.726 17.321 7 HA SER 14 HA SER 14 5.727 -2.913 14.672 8 HB2 SER 14 1HB SER 14 4.466 -1.257 16.862 9 HB3 SER 14 2HB SER 14 4.345 -0.992 15.122 10 HG SER 14 HG SER 14 2.543 -2.140 16.252 11 HA PRO 15 HA PRO 15 8.506 0.441 16.901 12 HB2 PRO 15 1HB PRO 15 9.497 -0.400 19.327 13 HB3 PRO 15 2HB PRO 15 8.139 0.715 19.141 14 HG2 PRO 15 1HG PRO 15 8.120 -2.228 19.663 15 HG3 PRO 15 2HG PRO 15 7.099 -0.959 20.362 16 HD2 PRO 15 1HD PRO 15 6.202 -2.569 18.414 17 HD3 PRO 15 2HD PRO 15 5.729 -0.860 18.495 18 H GLY 16 H GLY 16 10.824 0.418 16.863 19 HA2 GLY 16 1HA GLY 16 12.893 -0.866 16.926 20 HA3 GLY 16 2HA GLY 16 11.966 -2.263 16.394 21 H ILE 17 H ILE 17 10.437 -0.723 14.453 22 HA ILE 17 HA ILE 17 12.215 -0.869 12.232 23 HB ILE 17 HB ILE 17 10.327 -0.018 10.911 24 HG12 ILE 17 1HG1 ILE 17 9.119 0.485 13.619 25 HG13 ILE 17 2HG1 ILE 17 9.344 1.612 12.280 26 HG21 ILE 17 1HG2 ILE 17 8.778 -1.850 11.351 27 HG22 ILE 17 2HG2 ILE 17 9.573 -2.133 12.902 28 HG23 ILE 17 3HG2 ILE 17 10.466 -2.362 11.395 29 HD11 ILE 17 3HD1 ILE 17 7.632 0.448 11.003 30 HD12 ILE 17 1HD1 ILE 17 7.007 1.008 12.554 31 HD13 ILE 17 2HD1 ILE 17 7.409 -0.693 12.328 32 HA PRO 18 HA PRO 18 14.258 2.852 12.217 33 HB2 PRO 18 1HB PRO 18 13.936 3.900 9.693 34 HB3 PRO 18 2HB PRO 18 15.045 2.591 10.100 35 HG2 PRO 18 1HG PRO 18 12.322 2.462 8.907 36 HG3 PRO 18 2HG PRO 18 13.757 1.512 8.513 37 HD2 PRO 18 1HD PRO 18 11.777 0.527 9.984 38 HD3 PRO 18 2HD PRO 18 13.448 0.079 10.307 39 H VAL 19 H VAL 19 11.934 4.144 9.895 40 HA VAL 19 HA VAL 19 11.053 6.024 11.936 41 HB VAL 19 HB VAL 19 11.005 6.463 8.976 42 HG11 VAL 19 1HG1 VAL 19 10.736 8.793 9.609 43 HG12 VAL 19 2HG1 VAL 19 10.749 8.314 11.304 44 HG13 VAL 19 3HG1 VAL 19 9.453 7.768 10.245 45 HG21 VAL 19 3HG2 VAL 19 13.332 6.199 9.632 46 HG22 VAL 19 1HG2 VAL 19 13.107 7.359 10.940 47 HG23 VAL 19 2HG2 VAL 19 12.991 7.889 9.262 48 HA PRO 20 HA PRO 20 7.309 3.612 11.263 49 HB2 PRO 20 1HB PRO 20 5.923 4.789 13.287 50 HB3 PRO 20 2HB PRO 20 7.129 3.525 13.547 51 HG2 PRO 20 1HG PRO 20 7.430 6.495 13.795 52 HG3 PRO 20 2HG PRO 20 7.993 5.219 14.893 53 HD2 PRO 20 1HD PRO 20 9.646 6.395 13.120 54 HD3 PRO 20 2HD PRO 20 9.795 4.678 13.543 55 H GLY 21 H GLY 21 5.516 4.005 10.084 56 HA2 GLY 21 1HA GLY 21 4.169 6.539 10.162 57 HA3 GLY 21 2HA GLY 21 5.007 6.253 8.645 58 H LYS 22 H LYS 22 2.179 6.535 8.995 59 HA LYS 22 HA LYS 22 1.334 4.281 7.489 60 HB2 LYS 22 1HB LYS 22 -0.201 3.237 8.960 61 HB3 LYS 22 2HB LYS 22 1.291 3.383 9.872 62 HG2 LYS 22 1HG LYS 22 -1.076 5.232 10.128 63 HG3 LYS 22 2HG LYS 22 -0.720 3.881 11.202 64 HD2 LYS 22 1HD LYS 22 1.364 4.936 11.873 65 HD3 LYS 22 2HD LYS 22 1.078 6.260 10.743 66 HE2 LYS 22 1HE LYS 22 -0.976 6.833 11.978 67 HE3 LYS 22 2HE LYS 22 -0.622 5.548 13.130 68 HZ1 LYS 22 3HZ LYS 22 0.080 7.714 13.943 69 HZ2 LYS 22 1HZ LYS 22 1.101 7.911 12.610 70 HZ3 LYS 22 2HZ LYS 22 1.409 6.691 13.741 71 H VAL 23 H VAL 23 -0.424 4.815 6.251 72 HA VAL 23 HA VAL 23 -2.055 7.078 7.171 73 HB VAL 23 HB VAL 23 -2.211 7.964 4.863 74 HG11 VAL 23 1HG1 VAL 23 -0.655 8.971 6.442 75 HG12 VAL 23 2HG1 VAL 23 -0.010 9.025 4.800 76 HG13 VAL 23 3HG1 VAL 23 0.594 7.829 5.945 77 HG21 VAL 23 3HG2 VAL 23 0.026 6.037 4.258 78 HG22 VAL 23 1HG2 VAL 23 -0.573 7.299 3.178 79 HG23 VAL 23 2HG2 VAL 23 -1.618 5.951 3.627 80 H THR 24 H THR 24 -4.180 7.159 6.177 81 HA THR 24 HA THR 24 -5.050 4.517 5.232 82 HB THR 24 HB THR 24 -5.774 4.640 7.499 83 HG1 THR 24 HG1 THR 24 -7.805 4.115 7.089 84 HG21 THR 24 3HG2 THR 24 -6.960 7.338 6.851 85 HG22 THR 24 1HG2 THR 24 -5.552 7.037 7.868 86 HG23 THR 24 2HG2 THR 24 -7.144 6.476 8.378 87 H LEU 25 H LEU 25 -5.894 4.603 3.300 88 HA LEU 25 HA LEU 25 -7.225 7.077 2.415 89 HB2 LEU 25 1HB LEU 25 -5.643 5.121 0.733 90 HB3 LEU 25 2HB LEU 25 -6.538 6.487 0.110 91 HG LEU 25 HG LEU 25 -4.341 7.216 0.080 92 HD11 LEU 25 1HD1 LEU 25 -5.799 8.837 1.159 93 HD12 LEU 25 2HD1 LEU 25 -4.147 8.941 1.768 94 HD13 LEU 25 3HD1 LEU 25 -5.396 8.157 2.735 95 HD21 LEU 25 3HD2 LEU 25 -2.765 6.930 1.947 96 HD22 LEU 25 1HD2 LEU 25 -3.322 5.398 1.273 97 HD23 LEU 25 2HD2 LEU 25 -3.983 5.982 2.799 98 H GLN 26 H GLN 26 -8.317 6.201 0.112 99 HA GLN 26 HA GLN 26 -9.906 3.868 0.810 100 HB2 GLN 26 1HB GLN 26 -10.894 6.558 -0.066 101 HB3 GLN 26 2HB GLN 26 -11.833 5.103 -0.382 102 HG2 GLN 26 1HG GLN 26 -11.931 4.608 1.971 103 HG3 GLN 26 2HG GLN 26 -10.891 5.979 2.329 104 HE21 GLN 26 2HE2 GLN 26 -13.560 5.390 3.288 105 HE22 GLN 26 1HE2 GLN 26 -14.557 6.729 2.818 106 H LYS 27 H LYS 27 -10.435 2.574 -0.767 107 HA LYS 27 HA LYS 27 -8.705 2.074 -2.810 108 HB2 LYS 27 1HB LYS 27 -11.656 1.466 -2.949 109 HB3 LYS 27 2HB LYS 27 -10.381 0.601 -3.759 110 HG2 LYS 27 1HG LYS 27 -10.803 0.700 -0.794 111 HG3 LYS 27 2HG LYS 27 -11.242 -0.632 -1.865 112 HD2 LYS 27 1HD LYS 27 -8.727 -0.478 -2.548 113 HD3 LYS 27 2HD LYS 27 -8.563 0.282 -0.974 114 HE2 LYS 27 1HE LYS 27 -8.165 -2.040 -0.685 115 HE3 LYS 27 2HE LYS 27 -9.735 -1.665 0.026 116 HZ1 LYS 27 3HZ LYS 27 -9.297 -2.851 -2.661 117 HZ2 LYS 27 1HZ LYS 27 -10.802 -2.518 -1.966 118 HZ3 LYS 27 2HZ LYS 27 -9.799 -3.697 -1.284 119 H ASP 28 H ASP 28 -8.640 2.366 -4.972 120 HA ASP 28 HA ASP 28 -9.857 4.745 -6.078 121 HB2 ASP 28 1HB ASP 28 -7.500 4.226 -6.547 122 HB3 ASP 28 2HB ASP 28 -7.960 2.683 -7.250 123 H ALA 29 H ALA 29 -10.620 4.288 -8.572 124 HA ALA 29 HA ALA 29 -12.994 2.798 -8.468 125 HB1 ALA 29 3HB ALA 29 -12.596 4.598 -10.077 126 HB2 ALA 29 1HB ALA 29 -13.096 3.111 -10.882 127 HB3 ALA 29 2HB ALA 29 -11.401 3.596 -10.900 128 H GLN 30 H GLN 30 -9.755 1.817 -8.952 129 HA GLN 30 HA GLN 30 -10.418 -0.681 -10.250 130 HB2 GLN 30 1HB GLN 30 -8.194 1.031 -9.983 131 HB3 GLN 30 2HB GLN 30 -7.739 -0.540 -9.389 132 HG2 GLN 30 1HG GLN 30 -8.569 -1.508 -11.535 133 HG3 GLN 30 2HG GLN 30 -8.777 0.144 -12.117 134 HE21 GLN 30 2HE2 GLN 30 -6.518 -2.335 -11.269 135 HE22 GLN 30 1HE2 GLN 30 -5.110 -1.567 -11.912 136 H ASN 31 H ASN 31 -10.669 0.424 -7.230 137 HA ASN 31 HA ASN 31 -11.090 -0.595 -5.224 138 HB2 ASN 31 1HB ASN 31 -12.105 -2.409 -6.474 139 HB3 ASN 31 2HB ASN 31 -10.535 -3.137 -6.758 140 HD21 ASN 31 2HD2 ASN 31 -10.678 -5.012 -5.723 141 HD22 ASN 31 1HD2 ASN 31 -11.007 -5.199 -4.036 142 H LEU 32 H LEU 32 -8.322 0.028 -6.375 143 HA LEU 32 HA LEU 32 -6.862 -1.289 -4.193 144 HB2 LEU 32 1HB LEU 32 -4.837 -1.146 -5.771 145 HB3 LEU 32 2HB LEU 32 -6.005 -2.416 -6.015 146 HG LEU 32 HG LEU 32 -7.044 -1.073 -7.829 147 HD11 LEU 32 1HD1 LEU 32 -5.784 0.765 -8.816 148 HD12 LEU 32 2HD1 LEU 32 -4.611 0.672 -7.501 149 HD13 LEU 32 3HD1 LEU 32 -6.278 1.143 -7.165 150 HD21 LEU 32 3HD2 LEU 32 -5.476 -2.870 -8.310 151 HD22 LEU 32 1HD2 LEU 32 -4.131 -1.736 -8.179 152 HD23 LEU 32 2HD2 LEU 32 -5.314 -1.555 -9.476 153 H ILE 33 H ILE 33 -4.442 -0.044 -4.369 154 HA ILE 33 HA ILE 33 -5.264 2.650 -3.622 155 HB ILE 33 HB ILE 33 -2.554 2.052 -2.912 156 HG12 ILE 33 1HG1 ILE 33 -4.621 0.103 -1.854 157 HG13 ILE 33 2HG1 ILE 33 -3.363 -0.319 -3.018 158 HG21 ILE 33 1HG2 ILE 33 -3.550 2.490 -0.639 159 HG22 ILE 33 2HG2 ILE 33 -5.124 2.615 -1.443 160 HG23 ILE 33 3HG2 ILE 33 -3.829 3.750 -1.840 161 HD11 ILE 33 3HD1 ILE 33 -1.657 0.168 -1.373 162 HD12 ILE 33 1HD1 ILE 33 -2.819 -0.980 -0.711 163 HD13 ILE 33 2HD1 ILE 33 -2.878 0.713 -0.222 164 H GLY 34 H GLY 34 -3.196 0.881 -5.815 165 HA2 GLY 34 1HA GLY 34 -2.570 1.924 -7.894 166 HA3 GLY 34 2HA GLY 34 -2.490 3.470 -7.058 167 H ILE 35 H ILE 35 -1.073 0.579 -5.668 168 HA ILE 35 HA ILE 35 1.597 1.712 -6.272 169 HB ILE 35 HB ILE 35 2.365 0.655 -4.130 170 HG12 ILE 35 1HG1 ILE 35 0.270 0.539 -2.472 171 HG13 ILE 35 2HG1 ILE 35 -0.537 0.066 -3.960 172 HG21 ILE 35 1HG2 ILE 35 2.084 3.012 -4.217 173 HG22 ILE 35 2HG2 ILE 35 1.426 2.444 -2.683 174 HG23 ILE 35 3HG2 ILE 35 0.340 2.868 -4.006 175 HD11 ILE 35 3HD1 ILE 35 1.864 -1.292 -2.781 176 HD12 ILE 35 1HD1 ILE 35 1.005 -1.771 -4.248 177 HD13 ILE 35 2HD1 ILE 35 0.193 -1.855 -2.684 178 H SER 36 H SER 36 3.353 0.052 -5.890 179 HA SER 36 HA SER 36 2.538 -2.645 -6.680 180 HB2 SER 36 1HB SER 36 4.649 -0.935 -7.984 181 HB3 SER 36 2HB SER 36 4.627 -2.693 -8.142 182 HG SER 36 HG SER 36 2.359 -2.357 -8.806 183 H ILE 37 H ILE 37 3.457 -4.187 -5.547 184 HA ILE 37 HA ILE 37 5.562 -3.390 -3.651 185 HB ILE 37 HB ILE 37 3.627 -5.704 -3.478 186 HG12 ILE 37 1HG1 ILE 37 3.847 -3.125 -1.909 187 HG13 ILE 37 2HG1 ILE 37 2.606 -3.503 -3.096 188 HG21 ILE 37 1HG2 ILE 37 5.745 -6.307 -2.450 189 HG22 ILE 37 2HG2 ILE 37 4.514 -6.046 -1.214 190 HG23 ILE 37 3HG2 ILE 37 5.736 -4.811 -1.517 191 HD11 ILE 37 3HD1 ILE 37 3.035 -4.922 -0.480 192 HD12 ILE 37 1HD1 ILE 37 1.788 -5.299 -1.667 193 HD13 ILE 37 2HD1 ILE 37 1.771 -3.745 -0.835 194 H GLY 38 H GLY 38 7.397 -4.577 -3.355 195 HA2 GLY 38 1HA GLY 38 7.978 -7.043 -4.611 196 HA3 GLY 38 2HA GLY 38 8.618 -5.718 -5.572 197 H GLY 39 H GLY 39 10.020 -7.830 -4.116 198 HA2 GLY 39 1HA GLY 39 11.451 -6.282 -2.075 199 HA3 GLY 39 2HA GLY 39 11.574 -8.018 -2.328 200 H GLY 40 H GLY 40 13.016 -5.045 -2.874 201 HA2 GLY 40 1HA GLY 40 15.233 -4.854 -3.677 202 HA3 GLY 40 2HA GLY 40 15.005 -6.332 -4.595 203 H ALA 41 H ALA 41 15.640 -3.254 -5.057 204 HA ALA 41 HA ALA 41 13.818 -2.862 -7.309 205 HB1 ALA 41 3HB ALA 41 14.049 -0.962 -5.830 206 HB2 ALA 41 1HB ALA 41 14.750 -0.579 -7.401 207 HB3 ALA 41 2HB ALA 41 15.798 -0.975 -6.041 208 H GLN 42 H GLN 42 17.132 -1.664 -7.177 209 HA GLN 42 HA GLN 42 17.677 -3.168 -9.629 210 HB2 GLN 42 1HB GLN 42 19.595 -1.658 -9.935 211 HB3 GLN 42 2HB GLN 42 18.084 -0.776 -9.791 212 HG2 GLN 42 1HG GLN 42 18.611 -0.226 -7.485 213 HG3 GLN 42 2HG GLN 42 20.109 -1.145 -7.596 214 HE21 GLN 42 2HE2 GLN 42 20.613 -0.232 -10.338 215 HE22 GLN 42 1HE2 GLN 42 21.149 1.404 -10.194 216 H TYR 43 H TYR 43 18.991 -2.567 -6.400 217 HA TYR 43 HA TYR 43 21.032 -4.601 -6.790 218 HB2 TYR 43 1HB TYR 43 21.610 -2.532 -5.580 219 HB3 TYR 43 2HB TYR 43 20.400 -2.906 -4.361 220 HD1 TYR 43 HD1 TYR 43 23.303 -4.647 -5.973 221 HD2 TYR 43 HD2 TYR 43 21.225 -3.716 -2.378 222 HE1 TYR 43 HE1 TYR 43 25.004 -5.864 -4.679 223 HE2 TYR 43 HE2 TYR 43 22.918 -4.933 -1.077 224 HH TYR 43 HH TYR 43 24.590 -6.639 -1.359 225 H CYS 44 H CYS 44 19.312 -4.221 -3.762 226 HA CYS 44 HA CYS 44 17.310 -6.121 -4.090 227 HB2 CYS 44 1HB CYS 44 18.239 -8.026 -2.776 228 HB3 CYS 44 2HB CYS 44 19.019 -7.804 -4.338 229 HG CYS 44 HG CYS 44 20.299 -6.945 -1.287 230 HA PRO 45 HA PRO 45 17.547 -3.953 0.083 231 HB2 PRO 45 1HB PRO 45 15.957 -1.735 -0.827 232 HB3 PRO 45 2HB PRO 45 17.613 -1.711 -0.219 233 HG2 PRO 45 1HG PRO 45 16.936 -1.133 -2.804 234 HG3 PRO 45 2HG PRO 45 18.517 -1.773 -2.316 235 HD2 PRO 45 1HD PRO 45 16.152 -3.230 -3.440 236 HD3 PRO 45 2HD PRO 45 17.871 -3.395 -3.858 237 H CYS 46 H CYS 46 15.494 -3.090 1.335 238 HA CYS 46 HA CYS 46 13.423 -5.018 0.908 239 HB2 CYS 46 1HB CYS 46 12.314 -3.761 2.832 240 HB3 CYS 46 2HB CYS 46 13.872 -4.505 3.170 241 HG CYS 46 HG CYS 46 13.329 -1.821 4.319 242 H LEU 47 H LEU 47 12.978 -1.584 1.430 243 HA LEU 47 HA LEU 47 11.469 -0.104 0.832 244 HB2 LEU 47 1HB LEU 47 11.264 0.225 -1.716 245 HB3 LEU 47 2HB LEU 47 12.766 0.542 -0.883 246 HG LEU 47 HG LEU 47 13.383 -1.885 -1.630 247 HD11 LEU 47 1HD1 LEU 47 12.386 -2.494 -3.774 248 HD12 LEU 47 2HD1 LEU 47 11.248 -1.155 -3.621 249 HD13 LEU 47 3HD1 LEU 47 11.202 -2.488 -2.470 250 HD21 LEU 47 3HD2 LEU 47 14.517 0.150 -2.352 251 HD22 LEU 47 1HD2 LEU 47 13.269 0.421 -3.567 252 HD23 LEU 47 2HD2 LEU 47 14.329 -0.983 -3.689 253 H TYR 48 H TYR 48 10.596 -3.085 -0.945 254 HA TYR 48 HA TYR 48 8.613 -4.051 -1.288 255 HB2 TYR 48 1HB TYR 48 7.524 -2.174 0.808 256 HB3 TYR 48 2HB TYR 48 6.783 -3.675 0.251 257 HD1 TYR 48 HD2 TYR 48 8.928 -5.558 0.148 258 HD2 TYR 48 HD1 TYR 48 8.246 -2.481 3.001 259 HE1 TYR 48 HE2 TYR 48 10.247 -6.801 1.789 260 HE2 TYR 48 HE1 TYR 48 9.566 -3.724 4.660 261 HH TYR 48 HH TYR 48 10.336 -5.919 5.130 262 H ILE 49 H ILE 49 8.040 -0.469 -1.046 263 HA ILE 49 HA ILE 49 6.142 -0.836 -3.229 264 HB ILE 49 HB ILE 49 5.712 0.733 -1.269 265 HG12 ILE 49 1HG1 ILE 49 4.638 0.683 -3.670 266 HG13 ILE 49 2HG1 ILE 49 4.231 1.956 -2.532 267 HG21 ILE 49 1HG2 ILE 49 7.848 1.874 -1.208 268 HG22 ILE 49 2HG2 ILE 49 6.542 3.027 -1.495 269 HG23 ILE 49 3HG2 ILE 49 7.569 2.503 -2.833 270 HD11 ILE 49 3HD1 ILE 49 4.598 2.894 -4.708 271 HD12 ILE 49 1HD1 ILE 49 6.182 2.123 -4.814 272 HD13 ILE 49 2HD1 ILE 49 5.903 3.401 -3.630 273 H VAL 50 H VAL 50 6.806 -0.951 -5.195 274 HA VAL 50 HA VAL 50 9.475 -0.009 -5.889 275 HB VAL 50 HB VAL 50 7.558 -1.657 -7.550 276 HG11 VAL 50 1HG1 VAL 50 9.568 -2.294 -8.806 277 HG12 VAL 50 2HG1 VAL 50 10.527 -1.189 -7.820 278 HG13 VAL 50 3HG1 VAL 50 9.269 -0.557 -8.882 279 HG21 VAL 50 3HG2 VAL 50 8.883 -3.596 -6.841 280 HG22 VAL 50 1HG2 VAL 50 8.091 -2.811 -5.475 281 HG23 VAL 50 2HG2 VAL 50 9.812 -2.559 -5.760 282 H GLN 51 H GLN 51 6.137 0.751 -6.549 283 HA GLN 51 HA GLN 51 6.832 3.153 -7.884 284 HB2 GLN 51 1HB GLN 51 6.326 2.752 -10.088 285 HB3 GLN 51 2HB GLN 51 6.991 1.184 -9.671 286 HG2 GLN 51 1HG GLN 51 4.634 0.450 -9.204 287 HG3 GLN 51 2HG GLN 51 4.116 1.952 -9.947 288 HE21 GLN 51 2HE2 GLN 51 3.063 0.807 -11.541 289 HE22 GLN 51 1HE2 GLN 51 3.924 0.063 -12.827 290 H VAL 52 H VAL 52 4.999 4.418 -8.373 291 HA VAL 52 HA VAL 52 2.418 3.474 -7.404 292 HB VAL 52 HB VAL 52 3.668 4.613 -5.514 293 HG11 VAL 52 1HG1 VAL 52 3.557 7.132 -5.574 294 HG12 VAL 52 2HG1 VAL 52 3.316 6.985 -7.317 295 HG13 VAL 52 3HG1 VAL 52 4.800 6.380 -6.579 296 HG21 VAL 52 3HG2 VAL 52 1.039 5.750 -6.418 297 HG22 VAL 52 1HG2 VAL 52 1.713 5.939 -4.797 298 HG23 VAL 52 2HG2 VAL 52 1.294 4.335 -5.401 299 H PHE 53 H PHE 53 0.677 4.998 -8.052 300 HA PHE 53 HA PHE 53 1.428 6.529 -10.422 301 HB2 PHE 53 1HB PHE 53 -1.173 5.108 -9.850 302 HB3 PHE 53 2HB PHE 53 -0.857 6.099 -11.265 303 HD1 PHE 53 HD2 PHE 53 1.021 5.376 -12.822 304 HD2 PHE 53 HD1 PHE 53 -0.628 2.847 -9.821 305 HE1 PHE 53 HE2 PHE 53 1.927 3.405 -13.986 306 HE2 PHE 53 HE1 PHE 53 0.280 0.877 -10.978 307 HZ PHE 53 HZ PHE 53 1.556 1.157 -13.063 308 H ASP 54 H ASP 54 0.986 8.551 -10.407 309 HA ASP 54 HA ASP 54 0.929 9.865 -7.974 310 HB2 ASP 54 1HB ASP 54 2.012 10.724 -10.008 311 HB3 ASP 54 2HB ASP 54 0.429 11.054 -10.704 312 H ASN 55 H ASN 55 -1.773 9.008 -9.906 313 HA ASN 55 HA ASN 55 -3.437 11.072 -8.695 314 HB2 ASN 55 1HB ASN 55 -3.862 9.438 -11.194 315 HB3 ASN 55 2HB ASN 55 -5.083 10.502 -10.502 316 HD21 ASN 55 2HD2 ASN 55 -2.051 10.318 -12.157 317 HD22 ASN 55 1HD2 ASN 55 -1.941 11.994 -12.567 318 H THR 56 H THR 56 -2.505 8.193 -7.894 319 HA THR 56 HA THR 56 -5.149 6.998 -7.417 320 HB THR 56 HB THR 56 -3.982 4.976 -6.824 321 HG1 THR 56 HG1 THR 56 -1.491 6.299 -7.190 322 HG21 THR 56 3HG2 THR 56 -2.546 6.235 -9.152 323 HG22 THR 56 1HG2 THR 56 -4.147 5.488 -9.232 324 HG23 THR 56 2HG2 THR 56 -2.737 4.506 -8.839 325 HA PRO 57 HA PRO 57 -5.497 8.519 -3.343 326 HB2 PRO 57 1HB PRO 57 -5.807 6.141 -1.876 327 HB3 PRO 57 2HB PRO 57 -7.101 7.077 -2.615 328 HG2 PRO 57 1HG PRO 57 -5.713 4.644 -3.629 329 HG3 PRO 57 2HG PRO 57 -7.418 5.104 -3.771 330 HD2 PRO 57 1HD PRO 57 -5.755 5.338 -5.845 331 HD3 PRO 57 2HD PRO 57 -7.001 6.565 -5.533 332 H ALA 58 H ALA 58 -3.520 5.632 -3.692 333 HA ALA 58 HA ALA 58 -1.897 5.828 -1.440 334 HB1 ALA 58 3HB ALA 58 -1.110 4.792 -4.154 335 HB2 ALA 58 1HB ALA 58 -1.999 3.883 -2.935 336 HB3 ALA 58 2HB ALA 58 -0.348 4.400 -2.614 337 H ALA 59 H ALA 59 -1.098 6.981 -4.764 338 HA ALA 59 HA ALA 59 1.241 8.370 -3.808 339 HB1 ALA 59 3HB ALA 59 -0.261 8.521 -6.420 340 HB2 ALA 59 1HB ALA 59 1.216 7.616 -6.076 341 HB3 ALA 59 2HB ALA 59 1.250 9.377 -6.085 342 H LEU 60 H LEU 60 -1.877 9.340 -5.056 343 HA LEU 60 HA LEU 60 -1.867 12.039 -5.000 344 HB2 LEU 60 1HB LEU 60 -3.606 10.242 -5.610 345 HB3 LEU 60 2HB LEU 60 -4.155 10.399 -3.956 346 HG LEU 60 HG LEU 60 -5.578 11.620 -5.462 347 HD11 LEU 60 1HD1 LEU 60 -3.954 13.503 -3.767 348 HD12 LEU 60 2HD1 LEU 60 -5.298 12.502 -3.215 349 HD13 LEU 60 3HD1 LEU 60 -5.582 13.793 -4.384 350 HD21 LEU 60 3HD2 LEU 60 -3.145 13.248 -6.168 351 HD22 LEU 60 1HD2 LEU 60 -4.787 13.514 -6.753 352 HD23 LEU 60 2HD2 LEU 60 -3.914 12.048 -7.203 353 H ASP 61 H ASP 61 -3.482 10.323 -2.327 354 HA ASP 61 HA ASP 61 -2.919 12.628 -0.618 355 HB2 ASP 61 1HB ASP 61 -5.271 11.828 -0.929 356 HB3 ASP 61 2HB ASP 61 -4.825 10.340 -0.104 357 H GLY 62 H GLY 62 -2.240 9.243 -0.942 358 HA2 GLY 62 1HA GLY 62 -1.708 8.776 1.841 359 HA3 GLY 62 2HA GLY 62 -1.394 7.665 0.521 360 H THR 63 H THR 63 0.282 9.627 -0.872 361 HA THR 63 HA THR 63 2.433 10.281 -1.096 362 HB THR 63 HB THR 63 3.607 11.301 0.699 363 HG1 THR 63 HG1 THR 63 2.023 9.608 2.320 364 HG21 THR 63 3HG2 THR 63 1.837 12.704 1.734 365 HG22 THR 63 1HG2 THR 63 0.638 11.591 1.070 366 HG23 THR 63 2HG2 THR 63 1.667 12.526 -0.014 367 H VAL 64 H VAL 64 1.553 7.469 -0.328 368 HA VAL 64 HA VAL 64 4.035 6.282 0.574 369 HB VAL 64 HB VAL 64 2.836 4.091 0.210 370 HG11 VAL 64 1HG1 VAL 64 3.137 5.522 2.268 371 HG12 VAL 64 2HG1 VAL 64 1.853 4.304 2.318 372 HG13 VAL 64 3HG1 VAL 64 1.457 6.009 2.042 373 HG21 VAL 64 3HG2 VAL 64 0.456 5.932 -0.093 374 HG22 VAL 64 1HG2 VAL 64 0.406 4.174 0.053 375 HG23 VAL 64 2HG2 VAL 64 1.127 4.921 -1.373 376 H ALA 65 H ALA 65 4.824 7.496 -1.328 377 HA ALA 65 HA ALA 65 4.414 6.235 -3.911 378 HB1 ALA 65 3HB ALA 65 4.453 8.655 -3.798 379 HB2 ALA 65 1HB ALA 65 5.784 8.065 -4.791 380 HB3 ALA 65 2HB ALA 65 6.090 8.619 -3.143 381 H ALA 66 H ALA 66 6.509 6.121 -5.292 382 HA ALA 66 HA ALA 66 7.792 3.798 -4.493 383 HB1 ALA 66 3HB ALA 66 9.092 3.994 -6.470 384 HB2 ALA 66 1HB ALA 66 8.861 5.743 -6.522 385 HB3 ALA 66 2HB ALA 66 7.498 4.667 -6.823 386 H GLY 67 H GLY 67 9.186 3.538 -2.873 387 HA2 GLY 67 1HA GLY 67 11.675 4.050 -2.567 388 HA3 GLY 67 2HA GLY 67 11.118 5.701 -2.356 389 H ASP 68 H ASP 68 8.653 4.292 -0.936 390 HA ASP 68 HA ASP 68 10.008 4.424 1.664 391 HB2 ASP 68 1HB ASP 68 7.179 4.857 0.810 392 HB3 ASP 68 2HB ASP 68 7.509 4.374 2.461 393 H GLU 69 H GLU 69 9.466 2.920 3.323 394 HA GLU 69 HA GLU 69 9.368 0.228 2.217 395 HB2 GLU 69 1HB GLU 69 11.189 0.814 3.765 396 HB3 GLU 69 2HB GLU 69 10.010 1.190 5.014 397 HG2 GLU 69 1HG GLU 69 9.250 -1.169 4.931 398 HG3 GLU 69 2HG GLU 69 10.554 -1.505 3.796 399 H ILE 70 H ILE 70 7.048 0.373 1.739 400 HA ILE 70 HA ILE 70 5.152 0.414 3.858 401 HB ILE 70 HB ILE 70 4.987 -0.584 1.010 402 HG12 ILE 70 1HG1 ILE 70 3.307 1.255 0.835 403 HG13 ILE 70 2HG1 ILE 70 3.649 1.681 2.502 404 HG21 ILE 70 1HG2 ILE 70 2.594 -0.987 1.346 405 HG22 ILE 70 2HG2 ILE 70 2.778 -0.652 3.068 406 HG23 ILE 70 3HG2 ILE 70 3.574 -2.055 2.351 407 HD11 ILE 70 3HD1 ILE 70 4.762 3.175 0.954 408 HD12 ILE 70 1HD1 ILE 70 5.605 1.809 0.228 409 HD13 ILE 70 2HD1 ILE 70 5.931 2.253 1.900 410 H THR 71 H THR 71 5.692 -0.902 5.466 411 HA THR 71 HA THR 71 6.616 -3.599 4.876 412 HB THR 71 HB THR 71 8.035 -2.232 6.308 413 HG1 THR 71 HG1 THR 71 8.499 -3.909 7.514 414 HG21 THR 71 3HG2 THR 71 7.295 -1.589 8.568 415 HG22 THR 71 1HG2 THR 71 5.667 -2.141 8.175 416 HG23 THR 71 2HG2 THR 71 6.372 -0.779 7.302 417 H GLY 72 H GLY 72 3.752 -2.029 5.882 418 HA2 GLY 72 1HA GLY 72 2.674 -4.645 6.634 419 HA3 GLY 72 2HA GLY 72 2.498 -3.332 7.781 420 H VAL 73 H VAL 73 0.682 -5.044 6.018 421 HA VAL 73 HA VAL 73 -0.860 -2.907 4.761 422 HB VAL 73 HB VAL 73 -0.789 -4.511 3.110 423 HG11 VAL 73 1HG1 VAL 73 0.726 -5.980 4.449 424 HG12 VAL 73 2HG1 VAL 73 -0.423 -6.872 3.448 425 HG13 VAL 73 3HG1 VAL 73 -0.705 -6.706 5.181 426 HG21 VAL 73 3HG2 VAL 73 -2.720 -6.045 3.253 427 HG22 VAL 73 1HG2 VAL 73 -3.120 -4.385 3.709 428 HG23 VAL 73 2HG2 VAL 73 -2.873 -5.609 4.958 429 H ASN 74 H ASN 74 -2.460 -2.124 5.983 430 HA ASN 74 HA ASN 74 -4.103 -1.935 7.548 431 HB2 ASN 74 1HB ASN 74 -4.970 -3.787 5.929 432 HB3 ASN 74 2HB ASN 74 -4.655 -4.874 7.275 433 HD21 ASN 74 2HD2 ASN 74 -7.166 -4.199 6.024 434 HD22 ASN 74 1HD2 ASN 74 -8.179 -3.534 7.256 435 H GLY 75 H GLY 75 -1.427 -2.619 8.434 436 HA2 GLY 75 1HA GLY 75 -0.778 -2.502 10.713 437 HA3 GLY 75 2HA GLY 75 -2.198 -3.441 11.136 438 H ARG 76 H ARG 76 -1.428 -5.361 8.807 439 HA ARG 76 HA ARG 76 0.441 -6.856 10.446 440 HB2 ARG 76 1HB ARG 76 -0.398 -8.731 8.944 441 HB3 ARG 76 2HB ARG 76 -1.481 -8.120 10.166 442 HG2 ARG 76 1HG ARG 76 -2.449 -6.679 8.313 443 HG3 ARG 76 2HG ARG 76 -1.550 -7.713 7.199 444 HD2 ARG 76 1HD ARG 76 -2.685 -9.682 8.185 445 HD3 ARG 76 2HD ARG 76 -3.642 -8.593 9.187 446 HE ARG 76 HE ARG 76 -3.883 -9.000 6.304 447 HH11 ARG 76 1HH1 ARG 76 -4.952 -7.289 9.173 448 HH12 ARG 76 2HH1 ARG 76 -6.459 -6.800 8.466 449 HH21 ARG 76 1HH2 ARG 76 -5.868 -8.358 5.388 450 HH22 ARG 76 2HH2 ARG 76 -6.977 -7.401 6.319 451 H SER 77 H SER 77 2.421 -7.267 9.786 452 HA SER 77 HA SER 77 3.607 -5.893 7.673 453 HB2 SER 77 1HB SER 77 4.624 -8.353 9.109 454 HB3 SER 77 2HB SER 77 5.606 -7.206 8.197 455 HG SER 77 HG SER 77 4.431 -5.660 9.804 456 H ILE 78 H ILE 78 4.407 -6.512 5.660 457 HA ILE 78 HA ILE 78 2.852 -8.581 4.350 458 HB ILE 78 HB ILE 78 3.642 -7.829 2.286 459 HG12 ILE 78 1HG1 ILE 78 6.067 -7.857 2.846 460 HG13 ILE 78 2HG1 ILE 78 5.584 -6.475 1.873 461 HG21 ILE 78 1HG2 ILE 78 2.157 -6.216 3.191 462 HG22 ILE 78 2HG2 ILE 78 3.445 -5.340 2.367 463 HG23 ILE 78 3HG2 ILE 78 3.445 -5.460 4.126 464 HD11 ILE 78 3HD1 ILE 78 6.137 -6.471 4.829 465 HD12 ILE 78 1HD1 ILE 78 5.604 -5.080 3.886 466 HD13 ILE 78 2HD1 ILE 78 7.172 -5.817 3.559 467 H LYS 79 H LYS 79 5.825 -8.255 5.852 468 HA LYS 79 HA LYS 79 7.477 -10.014 4.433 469 HB2 LYS 79 1HB LYS 79 8.273 -8.367 6.057 470 HB3 LYS 79 2HB LYS 79 7.456 -9.226 7.350 471 HG2 LYS 79 1HG LYS 79 9.780 -9.737 7.461 472 HG3 LYS 79 2HG LYS 79 8.936 -11.178 6.896 473 HD2 LYS 79 1HD LYS 79 9.591 -10.705 4.613 474 HD3 LYS 79 2HD LYS 79 10.350 -9.193 5.116 475 HE2 LYS 79 1HE LYS 79 11.905 -10.477 6.528 476 HE3 LYS 79 2HE LYS 79 11.171 -11.970 5.953 477 HZ1 LYS 79 3HZ LYS 79 12.563 -9.974 4.255 478 HZ2 LYS 79 1HZ LYS 79 11.878 -11.421 3.715 479 HZ3 LYS 79 2HZ LYS 79 13.204 -11.451 4.761 480 H GLY 80 H GLY 80 4.894 -10.548 6.668 481 HA2 GLY 80 1HA GLY 80 5.635 -13.232 7.358 482 HA3 GLY 80 2HA GLY 80 4.106 -12.446 7.713 483 H LYS 81 H LYS 81 4.147 -11.842 4.591 484 HA LYS 81 HA LYS 81 3.378 -14.535 3.762 485 HB2 LYS 81 1HB LYS 81 1.295 -13.684 2.711 486 HB3 LYS 81 2HB LYS 81 1.280 -13.600 4.461 487 HG2 LYS 81 1HG LYS 81 1.950 -11.239 2.736 488 HG3 LYS 81 2HG LYS 81 0.302 -11.638 3.217 489 HD2 LYS 81 1HD LYS 81 2.546 -11.220 5.180 490 HD3 LYS 81 2HD LYS 81 1.481 -9.934 4.632 491 HE2 LYS 81 1HE LYS 81 -0.428 -11.010 5.578 492 HE3 LYS 81 2HE LYS 81 0.492 -12.476 5.905 493 HZ1 LYS 81 3HZ LYS 81 1.126 -9.867 7.155 494 HZ2 LYS 81 1HZ LYS 81 1.701 -11.393 7.598 495 HZ3 LYS 81 2HZ LYS 81 0.081 -10.997 7.857 496 H THR 82 H THR 82 2.150 -12.613 1.438 497 HA THR 82 HA THR 82 4.683 -12.371 0.010 498 HB THR 82 HB THR 82 2.485 -13.906 -1.333 499 HG1 THR 82 HG1 THR 82 2.792 -15.230 0.388 500 HG21 THR 82 3HG2 THR 82 4.362 -13.097 -2.678 501 HG22 THR 82 1HG2 THR 82 4.364 -14.859 -2.588 502 HG23 THR 82 2HG2 THR 82 5.494 -13.924 -1.608 503 H LYS 83 H LYS 83 4.565 -11.055 -1.852 504 HA LYS 83 HA LYS 83 3.006 -8.855 -1.941 505 HB2 LYS 83 1HB LYS 83 3.350 -9.359 -4.630 506 HB3 LYS 83 2HB LYS 83 4.509 -8.557 -3.582 507 HG2 LYS 83 1HG LYS 83 5.709 -10.594 -3.243 508 HG3 LYS 83 2HG LYS 83 4.441 -11.538 -4.019 509 HD2 LYS 83 1HD LYS 83 6.315 -11.290 -5.516 510 HD3 LYS 83 2HD LYS 83 4.936 -10.388 -6.139 511 HE2 LYS 83 1HE LYS 83 5.875 -8.328 -5.565 512 HE3 LYS 83 2HE LYS 83 7.031 -9.066 -4.457 513 HZ1 LYS 83 3HZ LYS 83 8.029 -8.334 -6.566 514 HZ2 LYS 83 1HZ LYS 83 7.061 -9.441 -7.400 515 HZ3 LYS 83 2HZ LYS 83 8.217 -9.989 -6.292 516 H VAL 84 H VAL 84 2.322 -11.725 -3.957 517 HA VAL 84 HA VAL 84 0.008 -10.846 -5.111 518 HB VAL 84 HB VAL 84 1.183 -12.763 -5.929 519 HG11 VAL 84 1HG1 VAL 84 0.423 -14.126 -3.353 520 HG12 VAL 84 2HG1 VAL 84 2.045 -13.629 -3.832 521 HG13 VAL 84 3HG1 VAL 84 1.212 -14.900 -4.727 522 HG21 VAL 84 3HG2 VAL 84 -1.512 -13.555 -4.897 523 HG22 VAL 84 1HG2 VAL 84 -0.644 -14.338 -6.215 524 HG23 VAL 84 2HG2 VAL 84 -1.183 -12.668 -6.383 525 H GLU 85 H GLU 85 0.470 -12.335 -1.973 526 HA GLU 85 HA GLU 85 -2.313 -12.727 -1.457 527 HB2 GLU 85 1HB GLU 85 0.012 -12.693 0.475 528 HB3 GLU 85 2HB GLU 85 -1.587 -13.341 0.795 529 HG2 GLU 85 1HG GLU 85 -1.209 -14.984 -1.033 530 HG3 GLU 85 2HG GLU 85 0.443 -14.391 -1.153 531 H VAL 86 H VAL 86 0.094 -10.289 -0.545 532 HA VAL 86 HA VAL 86 -1.589 -9.015 1.341 533 HB VAL 86 HB VAL 86 -0.041 -7.149 1.287 534 HG11 VAL 86 1HG1 VAL 86 1.596 -9.661 1.182 535 HG12 VAL 86 2HG1 VAL 86 0.435 -9.356 2.480 536 HG13 VAL 86 3HG1 VAL 86 1.795 -8.262 2.242 537 HG21 VAL 86 3HG2 VAL 86 1.976 -7.213 -0.101 538 HG22 VAL 86 1HG2 VAL 86 0.504 -7.038 -1.058 539 HG23 VAL 86 2HG2 VAL 86 1.313 -8.604 -0.958 540 H ALA 87 H ALA 87 -0.898 -8.313 -2.051 541 HA ALA 87 HA ALA 87 -2.556 -6.138 -2.492 542 HB1 ALA 87 3HB ALA 87 -2.242 -8.520 -4.314 543 HB2 ALA 87 1HB ALA 87 -1.163 -7.127 -4.240 544 HB3 ALA 87 2HB ALA 87 -2.831 -6.919 -4.772 545 H LYS 88 H LYS 88 -3.441 -9.581 -2.263 546 HA LYS 88 HA LYS 88 -6.207 -9.203 -2.763 547 HB2 LYS 88 1HB LYS 88 -5.249 -11.395 -2.960 548 HB3 LYS 88 2HB LYS 88 -4.730 -11.377 -1.284 549 HG2 LYS 88 1HG LYS 88 -6.938 -11.548 -0.511 550 HG3 LYS 88 2HG LYS 88 -7.610 -11.212 -2.106 551 HD2 LYS 88 1HD LYS 88 -6.648 -13.280 -2.945 552 HD3 LYS 88 2HD LYS 88 -5.987 -13.637 -1.347 553 HE2 LYS 88 1HE LYS 88 -8.918 -13.323 -1.989 554 HE3 LYS 88 2HE LYS 88 -8.081 -14.864 -1.824 555 HZ1 LYS 88 3HZ LYS 88 -8.543 -12.833 0.296 556 HZ2 LYS 88 1HZ LYS 88 -7.509 -14.165 0.483 557 HZ3 LYS 88 2HZ LYS 88 -9.161 -14.404 0.214 558 H MET 89 H MET 89 -4.307 -9.454 0.214 559 HA MET 89 HA MET 89 -6.313 -9.152 2.094 560 HB2 MET 89 1HB MET 89 -3.504 -8.094 2.187 561 HB3 MET 89 2HB MET 89 -4.548 -8.269 3.586 562 HG2 MET 89 1HG MET 89 -4.659 -10.685 3.151 563 HG3 MET 89 2HG MET 89 -3.547 -10.481 1.810 564 HE1 MET 89 3HE MET 89 -1.514 -12.368 4.588 565 HE2 MET 89 1HE MET 89 -2.143 -12.440 2.942 566 HE3 MET 89 2HE MET 89 -3.250 -12.492 4.313 567 H ILE 90 H ILE 90 -4.677 -6.758 0.170 568 HA ILE 90 HA ILE 90 -5.895 -4.501 1.421 569 HB ILE 90 HB ILE 90 -4.317 -4.898 -1.109 570 HG12 ILE 90 1HG1 ILE 90 -3.711 -3.248 1.343 571 HG13 ILE 90 2HG1 ILE 90 -3.303 -4.955 1.218 572 HG21 ILE 90 1HG2 ILE 90 -5.225 -2.199 -0.127 573 HG22 ILE 90 2HG2 ILE 90 -6.056 -3.086 -1.405 574 HG23 ILE 90 3HG2 ILE 90 -4.374 -2.594 -1.631 575 HD11 ILE 90 3HD1 ILE 90 -1.819 -4.518 -0.607 576 HD12 ILE 90 1HD1 ILE 90 -1.423 -3.441 0.731 577 HD13 ILE 90 2HD1 ILE 90 -2.316 -2.827 -0.661 578 H GLN 91 H GLN 91 -6.480 -6.218 -1.664 579 HA GLN 91 HA GLN 91 -8.629 -4.612 -2.490 580 HB2 GLN 91 1HB GLN 91 -7.800 -7.426 -3.153 581 HB3 GLN 91 2HB GLN 91 -9.186 -6.658 -3.902 582 HG2 GLN 91 1HG GLN 91 -7.860 -5.027 -4.939 583 HG3 GLN 91 2HG GLN 91 -6.477 -5.425 -3.937 584 HE21 GLN 91 2HE2 GLN 91 -6.705 -5.305 -6.836 585 HE22 GLN 91 1HE2 GLN 91 -6.238 -6.863 -7.417 586 H GLU 92 H GLU 92 -8.492 -7.485 -0.481 587 HA GLU 92 HA GLU 92 -11.193 -8.244 -0.749 588 HB2 GLU 92 1HB GLU 92 -9.391 -9.754 -0.070 589 HB3 GLU 92 2HB GLU 92 -9.218 -8.880 1.439 590 HG2 GLU 92 1HG GLU 92 -10.985 -9.877 2.376 591 HG3 GLU 92 2HG GLU 92 -11.919 -9.856 0.882 592 H VAL 93 H VAL 93 -9.522 -6.453 1.802 593 HA VAL 93 HA VAL 93 -11.626 -6.193 3.587 594 HB VAL 93 HB VAL 93 -10.533 -4.235 4.516 595 HG11 VAL 93 1HG1 VAL 93 -8.324 -5.215 4.942 596 HG12 VAL 93 2HG1 VAL 93 -8.579 -6.345 3.612 597 HG13 VAL 93 3HG1 VAL 93 -9.614 -6.412 5.039 598 HG21 VAL 93 3HG2 VAL 93 -8.554 -3.241 3.490 599 HG22 VAL 93 1HG2 VAL 93 -9.964 -3.063 2.447 600 HG23 VAL 93 2HG2 VAL 93 -8.748 -4.288 2.083 601 H LYS 94 H LYS 94 -10.992 -4.368 0.660 602 HA LYS 94 HA LYS 94 -12.394 -3.239 -0.721 603 HB2 LYS 94 1HB LYS 94 -13.910 -5.138 -0.196 604 HB3 LYS 94 2HB LYS 94 -14.592 -4.192 1.118 605 HG2 LYS 94 1HG LYS 94 -15.236 -2.471 -0.584 606 HG3 LYS 94 2HG LYS 94 -14.746 -3.620 -1.827 607 HD2 LYS 94 1HD LYS 94 -16.895 -4.048 0.250 608 HD3 LYS 94 2HD LYS 94 -17.157 -3.704 -1.457 609 HE2 LYS 94 1HE LYS 94 -17.411 -5.982 -1.432 610 HE3 LYS 94 2HE LYS 94 -15.694 -5.852 -1.797 611 HZ1 LYS 94 3HZ LYS 94 -16.876 -6.368 0.880 612 HZ2 LYS 94 1HZ LYS 94 -15.224 -6.204 0.566 613 HZ3 LYS 94 2HZ LYS 94 -16.083 -7.500 -0.092 614 H GLY 95 H GLY 95 -12.659 -1.085 -0.907 615 HA2 GLY 95 1HA GLY 95 -13.917 0.860 -0.402 616 HA3 GLY 95 2HA GLY 95 -14.119 0.279 1.239 617 H GLU 96 H GLU 96 -11.443 -0.217 1.932 618 HA GLU 96 HA GLU 96 -10.285 2.437 1.758 619 HB2 GLU 96 1HB GLU 96 -10.050 2.583 4.163 620 HB3 GLU 96 2HB GLU 96 -11.746 2.357 3.750 621 HG2 GLU 96 1HG GLU 96 -11.523 -0.020 4.209 622 HG3 GLU 96 2HG GLU 96 -9.858 0.220 4.675 623 H VAL 97 H VAL 97 -8.219 2.373 3.157 624 HA VAL 97 HA VAL 97 -6.755 -0.134 2.924 625 HB VAL 97 HB VAL 97 -4.965 0.705 1.586 626 HG11 VAL 97 1HG1 VAL 97 -7.457 1.672 0.204 627 HG12 VAL 97 2HG1 VAL 97 -6.993 -0.027 0.345 628 HG13 VAL 97 3HG1 VAL 97 -5.966 1.097 -0.544 629 HG21 VAL 97 3HG2 VAL 97 -4.911 2.999 0.701 630 HG22 VAL 97 1HG2 VAL 97 -4.833 2.952 2.460 631 HG23 VAL 97 2HG2 VAL 97 -6.341 3.382 1.655 632 H THR 98 H THR 98 -4.841 -0.145 4.198 633 HA THR 98 HA THR 98 -4.118 2.330 5.553 634 HB THR 98 HB THR 98 -4.528 -0.257 7.058 635 HG1 THR 98 HG1 THR 98 -6.247 1.730 6.364 636 HG21 THR 98 3HG2 THR 98 -2.746 1.164 7.970 637 HG22 THR 98 1HG2 THR 98 -4.143 1.117 9.047 638 HG23 THR 98 2HG2 THR 98 -3.866 2.527 8.023 639 H ILE 99 H ILE 99 -2.038 2.641 5.179 640 HA ILE 99 HA ILE 99 -0.346 0.292 4.631 641 HB ILE 99 HB ILE 99 1.154 2.194 3.570 642 HG12 ILE 99 1HG1 ILE 99 -0.566 3.969 4.182 643 HG13 ILE 99 2HG1 ILE 99 0.017 3.969 2.523 644 HG21 ILE 99 1HG2 ILE 99 0.242 1.654 1.376 645 HG22 ILE 99 2HG2 ILE 99 -1.183 0.947 2.145 646 HG23 ILE 99 3HG2 ILE 99 0.408 0.224 2.397 647 HD11 ILE 99 3HD1 ILE 99 -2.015 2.884 1.777 648 HD12 ILE 99 1HD1 ILE 99 -2.377 4.369 2.655 649 HD13 ILE 99 2HD1 ILE 99 -2.597 2.809 3.441 650 H HIS 100 H HIS 100 1.162 -0.137 6.063 651 HA HIS 100 HA HIS 100 2.166 2.021 7.786 652 HB2 HIS 100 1HB HIS 100 1.477 -0.485 8.495 653 HB3 HIS 100 2HB HIS 100 3.156 -0.762 8.051 654 HD1 HIS 100 HD1 HIS 100 1.033 0.711 10.691 655 HD2 HIS 100 HD2 HIS 100 5.067 0.569 9.687 656 HE1 HIS 100 HE1 HIS 100 2.266 1.485 12.738 657 HE2 HIS 100 HE2 HIS 100 4.704 1.295 12.147 658 H TYR 101 H TYR 101 4.098 2.917 7.340 659 HA TYR 101 HA TYR 101 5.953 1.464 5.635 660 HB2 TYR 101 1HB TYR 101 6.182 3.325 4.048 661 HB3 TYR 101 2HB TYR 101 4.569 2.632 4.031 662 HD1 TYR 101 HD2 TYR 101 2.761 3.883 5.413 663 HD2 TYR 101 HD1 TYR 101 6.463 5.612 4.243 664 HE1 TYR 101 HE2 TYR 101 1.801 6.125 5.714 665 HE2 TYR 101 HE1 TYR 101 5.515 7.859 4.538 666 HH TYR 101 HH TYR 101 3.370 8.958 4.599 667 H ASN 102 H ASN 102 8.017 1.958 5.853 668 HA ASN 102 HA ASN 102 8.731 3.983 7.867 669 HB2 ASN 102 1HB ASN 102 10.274 1.447 7.245 670 HB3 ASN 102 2HB ASN 102 10.511 2.539 8.611 671 HD21 ASN 102 2HD2 ASN 102 9.873 -0.367 8.332 672 HD22 ASN 102 1HD2 ASN 102 8.512 -0.590 9.386 673 H LYS 103 H LYS 103 11.258 4.580 7.477 674 HA LYS 103 HA LYS 103 11.247 5.299 4.626 675 HB2 LYS 103 1HB LYS 103 12.008 6.985 7.000 676 HB3 LYS 103 2HB LYS 103 12.393 7.429 5.343 677 HG2 LYS 103 1HG LYS 103 10.432 8.590 5.829 678 HG3 LYS 103 2HG LYS 103 9.901 7.206 4.874 679 HD2 LYS 103 1HD LYS 103 9.659 6.112 7.269 680 HD3 LYS 103 2HD LYS 103 9.501 7.799 7.759 681 HE2 LYS 103 1HE LYS 103 7.732 8.011 5.963 682 HE3 LYS 103 2HE LYS 103 7.800 6.260 5.822 683 HZ1 LYS 103 3HZ LYS 103 6.034 7.060 7.319 684 HZ2 LYS 103 1HZ LYS 103 7.215 7.699 8.347 685 HZ3 LYS 103 2HZ LYS 103 7.131 6.025 8.086 686 H LEU 104 H LEU 104 12.578 3.456 4.239 687 HA LEU 104 HA LEU 104 15.133 4.338 3.620 688 HB2 LEU 104 1HB LEU 104 16.423 2.544 4.916 689 HB3 LEU 104 2HB LEU 104 15.994 4.025 5.740 690 HG LEU 104 HG LEU 104 14.137 2.839 6.861 691 HD11 LEU 104 1HD1 LEU 104 13.741 1.078 5.210 692 HD12 LEU 104 2HD1 LEU 104 14.033 0.419 6.820 693 HD13 LEU 104 3HD1 LEU 104 15.307 0.365 5.601 694 HD21 LEU 104 3HD2 LEU 104 16.238 3.082 7.984 695 HD22 LEU 104 1HD2 LEU 104 16.889 1.664 7.163 696 HD23 LEU 104 2HD2 LEU 104 15.581 1.483 8.332 697 H GLN 105 H GLN 105 16.462 2.643 2.600 698 HA GLN 105 HA GLN 105 14.802 0.452 1.551 699 HB2 GLN 105 1HB GLN 105 16.470 0.315 -0.274 700 HB3 GLN 105 2HB GLN 105 15.702 1.894 -0.195 701 HG2 GLN 105 1HG GLN 105 17.637 2.856 0.831 702 HG3 GLN 105 2HG GLN 105 18.393 1.271 0.995 703 HE21 GLN 105 2HE2 GLN 105 19.273 0.280 -0.802 704 HE22 GLN 105 1HE2 GLN 105 19.571 1.128 -2.280 705 H ALA 106 H ALA 106 16.486 0.895 4.061 706 HA ALA 106 HA ALA 106 17.680 -0.334 5.519 707 HB1 ALA 106 3HB ALA 106 16.351 -2.253 4.789 708 HB2 ALA 106 1HB ALA 106 18.007 -2.717 5.182 709 HB3 ALA 106 2HB ALA 106 17.509 -2.563 3.496 710 H ASP 107 H ASP 107 19.812 -1.351 5.830 711 HA ASP 107 HA ASP 107 21.750 -0.609 3.734 712 HB2 ASP 107 1HB ASP 107 21.856 0.226 6.649 713 HB3 ASP 107 2HB ASP 107 23.224 0.347 5.550 714 HA PRO 108 HA PRO 108 23.818 -4.415 4.039 715 HB2 PRO 108 1HB PRO 108 25.825 -3.069 5.819 716 HB3 PRO 108 2HB PRO 108 26.089 -4.254 4.538 717 HG2 PRO 108 1HG PRO 108 26.400 -1.620 4.101 718 HG3 PRO 108 2HG PRO 108 25.778 -2.711 2.851 719 HD2 PRO 108 1HD PRO 108 24.386 -0.596 4.315 720 HD3 PRO 108 2HD PRO 108 23.878 -1.469 2.857 721 H LYS 109 H LYS 109 24.190 -2.855 7.234 722 HA LYS 109 HA LYS 109 24.177 -5.162 8.799 723 HB2 LYS 109 1HB LYS 109 23.483 -3.667 10.652 724 HB3 LYS 109 2HB LYS 109 24.824 -3.015 9.722 725 HG2 LYS 109 1HG LYS 109 23.342 -1.491 8.584 726 HG3 LYS 109 2HG LYS 109 21.936 -2.227 9.355 727 HD2 LYS 109 1HD LYS 109 22.820 -1.521 11.553 728 HD3 LYS 109 2HD LYS 109 24.166 -0.729 10.735 729 HE2 LYS 109 1HE LYS 109 22.611 0.742 9.571 730 HE3 LYS 109 2HE LYS 109 21.249 -0.071 10.336 731 HZ1 LYS 109 3HZ LYS 109 22.079 0.666 12.488 732 HZ2 LYS 109 1HZ LYS 109 21.768 1.978 11.468 733 HZ3 LYS 109 2HZ LYS 109 23.360 1.476 11.735 734 H GLN 110 H GLN 110 21.511 -3.151 7.794 735 HA GLN 110 HA GLN 110 19.496 -4.698 9.160 736 HB2 GLN 110 1HB GLN 110 19.473 -2.287 7.374 737 HB3 GLN 110 2HB GLN 110 18.007 -3.022 7.970 738 HG2 GLN 110 1HG GLN 110 18.605 -2.504 10.202 739 HG3 GLN 110 2HG GLN 110 20.179 -1.926 9.695 740 HE21 GLN 110 2HE2 GLN 110 18.071 -0.548 11.157 741 HE22 GLN 110 1HE2 GLN 110 17.678 0.853 10.220 742 H LEU 111 H LEU 111 20.968 -4.356 6.098 743 HA LEU 111 HA LEU 111 18.871 -5.233 4.453 744 HB2 LEU 111 1HB LEU 111 20.812 -3.876 3.728 745 HB3 LEU 111 2HB LEU 111 21.855 -5.256 3.984 746 HG LEU 111 HG LEU 111 21.204 -4.730 1.587 747 HD11 LEU 111 1HD1 LEU 111 20.598 -7.476 2.653 748 HD12 LEU 111 2HD1 LEU 111 22.187 -6.854 2.213 749 HD13 LEU 111 3HD1 LEU 111 20.955 -7.081 0.970 750 HD21 LEU 111 3HD2 LEU 111 19.037 -5.519 0.819 751 HD22 LEU 111 1HD2 LEU 111 18.848 -4.233 2.012 752 HD23 LEU 111 2HD2 LEU 111 18.580 -5.914 2.475 753 H GLU 112 H GLU 112 21.766 -6.835 5.778 754 HA GLU 112 HA GLU 112 21.291 -9.406 4.743 755 HB2 GLU 112 1HB GLU 112 22.736 -10.166 6.647 756 HB3 GLU 112 2HB GLU 112 23.433 -8.855 5.696 757 HG2 GLU 112 1HG GLU 112 22.995 -7.269 7.343 758 HG3 GLU 112 2HG GLU 112 21.848 -8.318 8.171 759 H VAL 113 H VAL 113 20.025 -7.739 7.518 760 HA VAL 113 HA VAL 113 18.920 -9.913 8.928 761 HB VAL 113 HB VAL 113 18.133 -6.993 8.846 762 HG11 VAL 113 1HG1 VAL 113 16.253 -8.329 9.635 763 HG12 VAL 113 2HG1 VAL 113 16.954 -7.369 10.938 764 HG13 VAL 113 3HG1 VAL 113 17.296 -9.097 10.833 765 HG21 VAL 113 3HG2 VAL 113 19.340 -6.876 10.978 766 HG22 VAL 113 1HG2 VAL 113 20.384 -7.375 9.647 767 HG23 VAL 113 2HG2 VAL 113 19.794 -8.570 10.799 768 H LEU 114 H LEU 114 17.551 -7.689 6.538 769 HA LEU 114 HA LEU 114 15.031 -9.092 6.496 770 HB2 LEU 114 1HB LEU 114 16.142 -6.682 5.128 771 HB3 LEU 114 2HB LEU 114 14.722 -7.462 4.469 772 HG LEU 114 HG LEU 114 13.599 -7.151 6.691 773 HD11 LEU 114 1HD1 LEU 114 15.993 -5.417 7.273 774 HD12 LEU 114 2HD1 LEU 114 15.600 -6.939 8.072 775 HD13 LEU 114 3HD1 LEU 114 14.536 -5.545 8.258 776 HD21 LEU 114 3HD2 LEU 114 13.137 -5.639 4.867 777 HD22 LEU 114 1HD2 LEU 114 14.557 -4.674 5.270 778 HD23 LEU 114 2HD2 LEU 114 13.195 -4.746 6.387 779 H PHE 115 H PHE 115 18.031 -9.417 5.069 780 HA PHE 115 HA PHE 115 17.106 -10.556 2.565 781 HB2 PHE 115 1HB PHE 115 19.237 -9.143 2.922 782 HB3 PHE 115 2HB PHE 115 19.920 -10.619 3.583 783 HD1 PHE 115 HD1 PHE 115 18.343 -9.207 0.544 784 HD2 PHE 115 HD2 PHE 115 20.846 -12.243 2.165 785 HE1 PHE 115 HE1 PHE 115 18.932 -9.934 -1.731 786 HE2 PHE 115 HE2 PHE 115 21.437 -12.976 -0.107 787 HZ PHE 115 HZ PHE 115 20.479 -11.819 -2.060 788 H GLN 116 H GLN 116 16.225 -11.907 4.930 789 HA GLN 116 HA GLN 116 17.666 -14.239 5.485 790 HB2 GLN 116 1HB GLN 116 15.719 -13.566 6.794 791 HB3 GLN 116 2HB GLN 116 14.672 -13.814 5.405 792 HG2 GLN 116 1HG GLN 116 15.227 -16.206 5.441 793 HG3 GLN 116 2HG GLN 116 16.218 -15.935 6.873 794 HE21 GLN 116 2HE2 GLN 116 12.991 -16.060 5.597 795 HE22 GLN 116 1HE2 GLN 116 12.176 -16.128 7.121 796 H GLY 117 H GLY 117 15.895 -13.269 2.687 797 HA2 GLY 117 1HA GLY 117 16.873 -14.948 0.864 798 HA3 GLY 117 2HA GLY 117 15.667 -15.969 1.632 799 HA PRO 118 HA PRO 118 12.915 -12.463 -0.192 800 HB2 PRO 118 1HB PRO 118 14.173 -10.330 -1.311 801 HB3 PRO 118 2HB PRO 118 13.642 -10.374 0.363 802 HG2 PRO 118 1HG PRO 118 16.342 -10.977 -0.791 803 HG3 PRO 118 2HG PRO 118 15.927 -9.945 0.597 804 HD2 PRO 118 1HD PRO 118 16.774 -12.402 1.033 805 HD3 PRO 118 2HD PRO 118 15.377 -11.768 1.931 806 H GLN 119 H GLN 119 15.367 -14.109 -1.542 807 HA GLN 119 HA GLN 119 15.185 -13.321 -4.292 808 HB2 GLN 119 1HB GLN 119 16.423 -15.752 -2.983 809 HB3 GLN 119 2HB GLN 119 16.627 -15.302 -4.670 810 HG2 GLN 119 1HG GLN 119 17.430 -13.543 -2.369 811 HG3 GLN 119 2HG GLN 119 18.518 -14.676 -3.166 812 HE21 GLN 119 2HE2 GLN 119 17.462 -14.244 -5.808 813 HE22 GLN 119 1HE2 GLN 119 17.994 -12.678 -6.311 814 H PHE 120 H PHE 120 15.214 -16.089 -5.322 815 HA PHE 120 HA PHE 120 13.760 -17.501 -6.339 816 HB2 PHE 120 1HB PHE 120 13.193 -18.220 -4.026 817 HB3 PHE 120 2HB PHE 120 11.961 -16.969 -3.953 818 HD1 PHE 120 HD1 PHE 120 12.927 -19.743 -6.269 819 HD2 PHE 120 HD2 PHE 120 9.811 -17.691 -4.223 820 HE1 PHE 120 HE1 PHE 120 11.280 -21.315 -7.203 821 HE2 PHE 120 HE2 PHE 120 8.160 -19.259 -5.154 822 HZ PHE 120 HZ PHE 120 8.895 -21.074 -6.645 823 H THR 121 H THR 121 13.865 -14.744 -6.900 824 HA THR 121 HA THR 121 11.165 -13.842 -7.404 825 HB THR 121 HB THR 121 13.737 -12.574 -8.352 826 HG1 THR 121 HG1 THR 121 14.096 -12.017 -6.351 827 HG21 THR 121 3HG2 THR 121 11.017 -11.397 -7.768 828 HG22 THR 121 1HG2 THR 121 11.663 -11.733 -9.374 829 HG23 THR 121 2HG2 THR 121 12.429 -10.517 -8.352 830 H LEU 122 H LEU 122 10.305 -15.255 -8.898 831 HA LEU 122 HA LEU 122 11.658 -15.789 -11.383 832 HB2 LEU 122 1HB LEU 122 9.389 -16.794 -12.002 833 HB3 LEU 122 2HB LEU 122 10.306 -17.561 -10.723 834 HG LEU 122 HG LEU 122 8.854 -16.204 -9.104 835 HD11 LEU 122 1HD1 LEU 122 7.143 -15.984 -11.571 836 HD12 LEU 122 2HD1 LEU 122 7.935 -14.645 -10.740 837 HD13 LEU 122 3HD1 LEU 122 6.661 -15.557 -9.929 838 HD21 LEU 122 3HD2 LEU 122 7.581 -18.354 -10.786 839 HD22 LEU 122 1HD2 LEU 122 7.099 -17.883 -9.157 840 HD23 LEU 122 2HD2 LEU 122 8.677 -18.619 -9.431 841 H ARG 123 H ARG 123 10.458 -13.107 -10.239 842 HA ARG 123 HA ARG 123 10.339 -11.079 -11.196 843 HB2 ARG 123 1HB ARG 123 10.603 -12.558 -13.813 844 HB3 ARG 123 2HB ARG 123 10.646 -10.811 -13.635 845 HG2 ARG 123 1HG ARG 123 12.606 -12.749 -12.418 846 HG3 ARG 123 2HG ARG 123 12.885 -11.755 -13.848 847 HD2 ARG 123 1HD ARG 123 12.321 -10.720 -11.071 848 HD3 ARG 123 2HD ARG 123 13.908 -10.790 -11.835 849 HE ARG 123 HE ARG 123 12.164 -9.348 -13.495 850 HH11 ARG 123 1HH1 ARG 123 13.761 -9.044 -10.397 851 HH12 ARG 123 2HH1 ARG 123 13.853 -7.315 -10.471 852 HH21 ARG 123 1HH2 ARG 123 12.287 -7.070 -13.600 853 HH22 ARG 123 2HH2 ARG 123 13.010 -6.191 -12.290 854 H HIS 124 H HIS 124 8.070 -11.733 -10.248 855 HA HIS 124 HA HIS 124 6.345 -10.539 -12.278 856 HB2 HIS 124 1HB HIS 124 4.347 -11.660 -11.414 857 HB3 HIS 124 2HB HIS 124 5.502 -12.799 -12.067 858 HD1 HIS 124 HD1 HIS 124 3.937 -14.480 -10.675 859 HD2 HIS 124 HD2 HIS 124 6.359 -11.965 -8.422 860 HE1 HIS 124 HE1 HIS 124 4.007 -15.489 -8.380 861 HE2 HIS 124 HE2 HIS 124 5.615 -14.052 -7.088 862 H TRP 125 H TRP 125 5.478 -8.686 -11.720 863 HA TRP 125 HA TRP 125 6.277 -7.610 -9.167 864 HB2 TRP 125 1HB TRP 125 5.546 -5.453 -10.070 865 HB3 TRP 125 2HB TRP 125 6.623 -6.275 -11.190 866 HD1 TRP 125 HD1 TRP 125 3.067 -4.989 -10.851 867 HE1 TRP 125 HE1 TRP 125 1.897 -5.135 -13.143 868 HE3 TRP 125 HE3 TRP 125 6.586 -7.692 -13.390 869 HZ2 TRP 125 HZ2 TRP 125 2.403 -6.250 -15.683 870 HZ3 TRP 125 HZ3 TRP 125 6.166 -8.255 -15.747 871 HH2 TRP 125 HH2 TRP 125 4.117 -7.550 -16.869 872 H LEU 126 H LEU 126 4.839 -6.424 -7.810 873 HA LEU 126 HA LEU 126 2.164 -7.616 -7.718 874 HB2 LEU 126 1HB LEU 126 3.843 -7.585 -5.739 875 HB3 LEU 126 2HB LEU 126 3.416 -5.921 -5.587 876 HG LEU 126 HG LEU 126 2.299 -7.763 -4.149 877 HD11 LEU 126 1HD1 LEU 126 0.640 -5.631 -5.386 878 HD12 LEU 126 2HD1 LEU 126 1.947 -5.344 -4.247 879 HD13 LEU 126 3HD1 LEU 126 0.546 -6.286 -3.749 880 HD21 LEU 126 3HD2 LEU 126 0.570 -7.802 -6.621 881 HD22 LEU 126 1HD2 LEU 126 0.148 -8.502 -5.063 882 HD23 LEU 126 2HD2 LEU 126 1.501 -9.152 -5.985 883 H LYS 127 H LYS 127 0.408 -6.099 -7.092 884 HA LYS 127 HA LYS 127 0.713 -3.346 -7.703 885 HB2 LYS 127 1HB LYS 127 -0.750 -3.413 -9.751 886 HB3 LYS 127 2HB LYS 127 0.877 -4.038 -9.978 887 HG2 LYS 127 1HG LYS 127 -0.002 -6.328 -9.760 888 HG3 LYS 127 2HG LYS 127 -1.631 -5.668 -9.614 889 HD2 LYS 127 1HD LYS 127 0.200 -5.302 -11.984 890 HD3 LYS 127 2HD LYS 127 -1.137 -6.448 -11.893 891 HE2 LYS 127 1HE LYS 127 -2.698 -4.578 -11.576 892 HE3 LYS 127 2HE LYS 127 -1.352 -3.446 -11.707 893 HZ1 LYS 127 3HZ LYS 127 -2.263 -5.309 -13.828 894 HZ2 LYS 127 1HZ LYS 127 -0.954 -4.249 -13.953 895 HZ3 LYS 127 2HZ LYS 127 -2.523 -3.638 -13.795 896 H VAL 128 H VAL 128 -0.559 -2.592 -6.206 897 HA VAL 128 HA VAL 128 -3.363 -3.172 -6.457 898 HB VAL 128 HB VAL 128 -2.649 -4.649 -4.620 899 HG11 VAL 128 1HG1 VAL 128 -0.821 -3.310 -3.742 900 HG12 VAL 128 2HG1 VAL 128 -1.973 -3.793 -2.498 901 HG13 VAL 128 3HG1 VAL 128 -1.995 -2.144 -3.128 902 HG21 VAL 128 3HG2 VAL 128 -4.442 -2.400 -3.804 903 HG22 VAL 128 1HG2 VAL 128 -4.378 -4.000 -3.066 904 HG23 VAL 128 2HG2 VAL 128 -4.901 -3.823 -4.740 Start of MODEL 12 1 H1 GLY 13 1H GLY 13 14.860 4.522 19.202 2 H2 GLY 13 2H GLY 13 16.398 4.423 19.887 3 H3 GLY 13 3H GLY 13 15.176 5.280 20.678 4 HA2 GLY 13 1HA GLY 13 15.477 3.187 21.771 5 HA3 GLY 13 2HA GLY 13 13.916 3.223 20.965 6 H SER 14 H SER 14 13.932 0.910 20.944 7 HA SER 14 HA SER 14 15.374 -0.148 18.649 8 HB2 SER 14 1HB SER 14 16.047 -2.169 20.047 9 HB3 SER 14 2HB SER 14 16.949 -0.682 20.340 10 HG SER 14 HG SER 14 14.933 -1.878 21.918 11 HA PRO 15 HA PRO 15 11.203 -2.035 19.024 12 HB2 PRO 15 1HB PRO 15 10.089 -0.684 16.876 13 HB3 PRO 15 2HB PRO 15 9.939 -0.199 18.564 14 HG2 PRO 15 1HG PRO 15 11.332 1.157 16.473 15 HG3 PRO 15 2HG PRO 15 11.224 1.613 18.179 16 HD2 PRO 15 1HD PRO 15 13.395 0.211 16.734 17 HD3 PRO 15 2HD PRO 15 13.467 1.189 18.215 18 H GLY 16 H GLY 16 9.836 -2.769 16.828 19 HA2 GLY 16 1HA GLY 16 11.579 -4.611 15.502 20 HA3 GLY 16 2HA GLY 16 9.871 -4.361 15.157 21 H ILE 17 H ILE 17 9.667 -1.834 14.391 22 HA ILE 17 HA ILE 17 11.455 -1.620 12.062 23 HB ILE 17 HB ILE 17 9.619 -0.419 10.941 24 HG12 ILE 17 1HG1 ILE 17 8.107 -1.068 13.476 25 HG13 ILE 17 2HG1 ILE 17 8.475 0.531 12.839 26 HG21 ILE 17 1HG2 ILE 17 8.165 -2.357 10.593 27 HG22 ILE 17 2HG2 ILE 17 8.857 -3.123 12.023 28 HG23 ILE 17 3HG2 ILE 17 9.871 -2.804 10.616 29 HD11 ILE 17 3HD1 ILE 17 6.991 0.194 10.996 30 HD12 ILE 17 1HD1 ILE 17 6.141 -0.156 12.499 31 HD13 ILE 17 2HD1 ILE 17 6.709 -1.479 11.481 32 HA PRO 18 HA PRO 18 12.923 2.192 13.531 33 HB2 PRO 18 1HB PRO 18 12.995 3.804 11.313 34 HB3 PRO 18 2HB PRO 18 14.165 2.535 11.666 35 HG2 PRO 18 1HG PRO 18 11.898 2.537 9.761 36 HG3 PRO 18 2HG PRO 18 13.462 1.714 9.656 37 HD2 PRO 18 1HD PRO 18 11.089 0.508 10.317 38 HD3 PRO 18 2HD PRO 18 12.676 -0.131 10.732 39 H VAL 19 H VAL 19 10.676 3.479 11.066 40 HA VAL 19 HA VAL 19 9.245 4.857 13.199 41 HB VAL 19 HB VAL 19 9.899 5.860 10.456 42 HG11 VAL 19 1HG1 VAL 19 8.328 7.156 12.638 43 HG12 VAL 19 2HG1 VAL 19 7.693 6.510 11.129 44 HG13 VAL 19 3HG1 VAL 19 8.771 7.904 11.104 45 HG21 VAL 19 3HG2 VAL 19 10.816 6.820 13.156 46 HG22 VAL 19 1HG2 VAL 19 11.168 7.613 11.621 47 HG23 VAL 19 2HG2 VAL 19 11.808 6.003 11.950 48 HA PRO 20 HA PRO 20 6.014 2.394 11.272 49 HB2 PRO 20 1HB PRO 20 4.324 2.561 13.329 50 HB3 PRO 20 2HB PRO 20 5.803 1.603 13.429 51 HG2 PRO 20 1HG PRO 20 5.289 4.380 14.445 52 HG3 PRO 20 2HG PRO 20 6.050 3.015 15.288 53 HD2 PRO 20 1HD PRO 20 7.499 4.984 14.055 54 HD3 PRO 20 2HD PRO 20 8.063 3.310 14.210 55 H GLY 21 H GLY 21 4.283 2.889 10.075 56 HA2 GLY 21 1HA GLY 21 2.135 3.765 9.703 57 HA3 GLY 21 2HA GLY 21 2.402 4.905 11.006 58 H LYS 22 H LYS 22 1.192 5.647 8.563 59 HA LYS 22 HA LYS 22 2.861 7.883 8.053 60 HB2 LYS 22 1HB LYS 22 3.880 6.489 6.428 61 HB3 LYS 22 2HB LYS 22 2.327 5.876 5.877 62 HG2 LYS 22 1HG LYS 22 2.899 7.369 4.220 63 HG3 LYS 22 2HG LYS 22 1.828 8.293 5.275 64 HD2 LYS 22 1HD LYS 22 4.796 8.403 5.673 65 HD3 LYS 22 2HD LYS 22 4.039 9.374 4.413 66 HE2 LYS 22 1HE LYS 22 2.606 10.430 6.096 67 HE3 LYS 22 2HE LYS 22 3.365 9.461 7.352 68 HZ1 LYS 22 3HZ LYS 22 5.444 10.534 6.952 69 HZ2 LYS 22 1HZ LYS 22 4.269 11.729 7.179 70 HZ3 LYS 22 2HZ LYS 22 4.826 11.373 5.621 71 H VAL 23 H VAL 23 0.193 6.299 6.189 72 HA VAL 23 HA VAL 23 -1.505 8.599 6.778 73 HB VAL 23 HB VAL 23 -0.152 9.397 4.917 74 HG11 VAL 23 1HG1 VAL 23 0.551 7.243 4.030 75 HG12 VAL 23 2HG1 VAL 23 -0.110 8.277 2.762 76 HG13 VAL 23 3HG1 VAL 23 -1.079 6.958 3.420 77 HG21 VAL 23 3HG2 VAL 23 -2.507 10.043 4.897 78 HG22 VAL 23 1HG2 VAL 23 -2.878 8.618 3.925 79 HG23 VAL 23 2HG2 VAL 23 -1.853 9.895 3.263 80 H THR 24 H THR 24 -3.756 8.231 6.045 81 HA THR 24 HA THR 24 -4.285 5.436 5.376 82 HB THR 24 HB THR 24 -6.412 5.794 6.666 83 HG1 THR 24 HG1 THR 24 -6.219 8.131 6.722 84 HG21 THR 24 3HG2 THR 24 -5.419 5.248 8.768 85 HG22 THR 24 1HG2 THR 24 -3.929 6.082 8.330 86 HG23 THR 24 2HG2 THR 24 -4.371 4.588 7.512 87 H LEU 25 H LEU 25 -5.295 5.181 3.490 88 HA LEU 25 HA LEU 25 -6.906 7.406 2.404 89 HB2 LEU 25 1HB LEU 25 -5.178 5.431 0.897 90 HB3 LEU 25 2HB LEU 25 -6.281 6.554 0.139 91 HG LEU 25 HG LEU 25 -4.186 7.528 -0.127 92 HD11 LEU 25 1HD1 LEU 25 -5.308 8.776 2.369 93 HD12 LEU 25 2HD1 LEU 25 -5.854 9.094 0.723 94 HD13 LEU 25 3HD1 LEU 25 -4.219 9.542 1.212 95 HD21 LEU 25 3HD2 LEU 25 -3.623 6.873 2.754 96 HD22 LEU 25 1HD2 LEU 25 -2.553 7.779 1.687 97 HD23 LEU 25 2HD2 LEU 25 -2.919 6.093 1.337 98 H GLN 26 H GLN 26 -8.004 6.114 0.249 99 HA GLN 26 HA GLN 26 -9.058 3.615 1.175 100 HB2 GLN 26 1HB GLN 26 -11.324 4.169 0.917 101 HB3 GLN 26 2HB GLN 26 -10.613 5.501 1.816 102 HG2 GLN 26 1HG GLN 26 -10.569 6.878 -0.103 103 HG3 GLN 26 2HG GLN 26 -11.047 5.544 -1.147 104 HE21 GLN 26 2HE2 GLN 26 -12.427 6.035 2.013 105 HE22 GLN 26 1HE2 GLN 26 -13.999 6.507 1.464 106 H LYS 27 H LYS 27 -10.184 2.454 -0.497 107 HA LYS 27 HA LYS 27 -8.436 1.964 -2.565 108 HB2 LYS 27 1HB LYS 27 -11.377 1.310 -2.497 109 HB3 LYS 27 2HB LYS 27 -10.182 0.549 -3.513 110 HG2 LYS 27 1HG LYS 27 -10.358 0.388 -0.525 111 HG3 LYS 27 2HG LYS 27 -10.703 -0.895 -1.688 112 HD2 LYS 27 1HD LYS 27 -8.227 -0.284 -2.443 113 HD3 LYS 27 2HD LYS 27 -8.128 0.176 -0.748 114 HE2 LYS 27 1HE LYS 27 -9.060 -2.497 -1.745 115 HE3 LYS 27 2HE LYS 27 -7.434 -2.150 -1.160 116 HZ1 LYS 27 3HZ LYS 27 -8.520 -1.426 0.966 117 HZ2 LYS 27 1HZ LYS 27 -8.611 -3.086 0.622 118 HZ3 LYS 27 2HZ LYS 27 -9.958 -2.094 0.376 119 H ASP 28 H ASP 28 -8.560 2.154 -4.758 120 HA ASP 28 HA ASP 28 -9.881 4.481 -5.876 121 HB2 ASP 28 1HB ASP 28 -7.516 3.720 -6.452 122 HB3 ASP 28 2HB ASP 28 -8.240 2.353 -7.286 123 H ALA 29 H ALA 29 -10.876 3.827 -8.263 124 HA ALA 29 HA ALA 29 -13.240 2.404 -7.736 125 HB1 ALA 29 3HB ALA 29 -13.009 4.063 -9.535 126 HB2 ALA 29 1HB ALA 29 -13.674 2.538 -10.118 127 HB3 ALA 29 2HB ALA 29 -11.984 2.937 -10.423 128 H GLN 30 H GLN 30 -10.110 1.304 -8.542 129 HA GLN 30 HA GLN 30 -10.976 -1.245 -9.625 130 HB2 GLN 30 1HB GLN 30 -8.761 0.434 -9.848 131 HB3 GLN 30 2HB GLN 30 -8.190 -1.055 -9.133 132 HG2 GLN 30 1HG GLN 30 -9.914 -1.045 -11.575 133 HG3 GLN 30 2HG GLN 30 -8.169 -0.900 -11.662 134 HE21 GLN 30 2HE2 GLN 30 -6.882 -2.651 -11.122 135 HE22 GLN 30 1HE2 GLN 30 -7.514 -4.254 -10.985 136 H ASN 31 H ASN 31 -10.747 0.025 -6.668 137 HA ASN 31 HA ASN 31 -10.816 -0.847 -4.556 138 HB2 ASN 31 1HB ASN 31 -12.025 -2.754 -5.539 139 HB3 ASN 31 2HB ASN 31 -10.495 -3.539 -5.877 140 HD21 ASN 31 2HD2 ASN 31 -10.694 -5.297 -4.605 141 HD22 ASN 31 1HD2 ASN 31 -10.845 -5.240 -2.885 142 H LEU 32 H LEU 32 -8.419 0.037 -5.794 143 HA LEU 32 HA LEU 32 -6.540 -1.345 -4.028 144 HB2 LEU 32 1HB LEU 32 -4.807 -1.141 -5.884 145 HB3 LEU 32 2HB LEU 32 -6.027 -2.381 -6.043 146 HG LEU 32 HG LEU 32 -7.306 -0.802 -7.544 147 HD11 LEU 32 1HD1 LEU 32 -4.675 0.660 -7.582 148 HD12 LEU 32 2HD1 LEU 32 -6.202 1.276 -6.948 149 HD13 LEU 32 3HD1 LEU 32 -6.033 0.945 -8.672 150 HD21 LEU 32 3HD2 LEU 32 -6.054 -2.722 -8.366 151 HD22 LEU 32 1HD2 LEU 32 -4.596 -1.731 -8.450 152 HD23 LEU 32 2HD2 LEU 32 -5.974 -1.367 -9.492 153 H ILE 33 H ILE 33 -4.237 -0.002 -4.602 154 HA ILE 33 HA ILE 33 -4.975 2.640 -3.590 155 HB ILE 33 HB ILE 33 -2.269 2.269 -3.129 156 HG12 ILE 33 1HG1 ILE 33 -3.755 -0.294 -2.463 157 HG13 ILE 33 2HG1 ILE 33 -2.564 -0.158 -3.757 158 HG21 ILE 33 1HG2 ILE 33 -4.755 2.032 -1.477 159 HG22 ILE 33 2HG2 ILE 33 -3.590 3.357 -1.555 160 HG23 ILE 33 3HG2 ILE 33 -3.156 1.848 -0.752 161 HD11 ILE 33 3HD1 ILE 33 -0.937 0.573 -1.942 162 HD12 ILE 33 1HD1 ILE 33 -1.451 -1.111 -1.920 163 HD13 ILE 33 2HD1 ILE 33 -2.151 0.037 -0.782 164 H GLY 34 H GLY 34 -3.314 0.989 -6.148 165 HA2 GLY 34 1HA GLY 34 -2.768 2.018 -8.204 166 HA3 GLY 34 2HA GLY 34 -2.809 3.587 -7.411 167 H ILE 35 H ILE 35 -1.044 0.778 -6.249 168 HA ILE 35 HA ILE 35 1.463 2.186 -6.928 169 HB ILE 35 HB ILE 35 2.478 1.167 -4.891 170 HG12 ILE 35 1HG1 ILE 35 0.673 0.656 -3.066 171 HG13 ILE 35 2HG1 ILE 35 -0.348 0.290 -4.449 172 HG21 ILE 35 1HG2 ILE 35 1.383 2.735 -3.274 173 HG22 ILE 35 2HG2 ILE 35 0.225 3.120 -4.547 174 HG23 ILE 35 3HG2 ILE 35 1.941 3.454 -4.781 175 HD11 ILE 35 3HD1 ILE 35 0.945 -1.527 -5.081 176 HD12 ILE 35 1HD1 ILE 35 0.901 -1.617 -3.320 177 HD13 ILE 35 2HD1 ILE 35 2.334 -0.984 -4.130 178 H SER 36 H SER 36 3.371 0.543 -6.634 179 HA SER 36 HA SER 36 2.529 -2.090 -7.575 180 HB2 SER 36 1HB SER 36 4.795 -0.439 -8.652 181 HB3 SER 36 2HB SER 36 4.606 -2.164 -8.976 182 HG SER 36 HG SER 36 2.280 -1.264 -9.441 183 H ILE 37 H ILE 37 3.462 -3.790 -6.724 184 HA ILE 37 HA ILE 37 5.214 -3.287 -4.422 185 HB ILE 37 HB ILE 37 3.402 -5.635 -4.992 186 HG12 ILE 37 1HG1 ILE 37 2.278 -3.536 -4.267 187 HG13 ILE 37 2HG1 ILE 37 2.092 -4.854 -3.117 188 HG21 ILE 37 1HG2 ILE 37 5.383 -6.421 -3.841 189 HG22 ILE 37 2HG2 ILE 37 4.011 -6.424 -2.732 190 HG23 ILE 37 3HG2 ILE 37 5.219 -5.143 -2.635 191 HD11 ILE 37 3HD1 ILE 37 3.994 -2.535 -2.875 192 HD12 ILE 37 1HD1 ILE 37 3.875 -3.877 -1.739 193 HD13 ILE 37 2HD1 ILE 37 2.509 -2.783 -1.958 194 H GLY 38 H GLY 38 7.106 -4.260 -4.184 195 HA2 GLY 38 1HA GLY 38 7.959 -6.526 -5.718 196 HA3 GLY 38 2HA GLY 38 8.715 -5.030 -6.249 197 H GLY 39 H GLY 39 9.317 -7.631 -4.463 198 HA2 GLY 39 1HA GLY 39 10.419 -6.270 -2.124 199 HA3 GLY 39 2HA GLY 39 10.288 -8.009 -2.350 200 H GLY 40 H GLY 40 12.269 -5.238 -2.670 201 HA2 GLY 40 1HA GLY 40 14.630 -5.374 -2.655 202 HA3 GLY 40 2HA GLY 40 14.521 -6.987 -3.344 203 H ALA 41 H ALA 41 15.425 -3.887 -3.995 204 HA ALA 41 HA ALA 41 14.637 -4.006 -6.820 205 HB1 ALA 41 3HB ALA 41 15.730 -1.749 -6.941 206 HB2 ALA 41 1HB ALA 41 15.958 -1.845 -5.198 207 HB3 ALA 41 2HB ALA 41 14.331 -1.852 -5.878 208 H GLN 42 H GLN 42 17.681 -2.867 -5.408 209 HA GLN 42 HA GLN 42 19.116 -4.358 -7.469 210 HB2 GLN 42 1HB GLN 42 19.528 -1.903 -7.055 211 HB3 GLN 42 2HB GLN 42 20.208 -2.344 -5.498 212 HG2 GLN 42 1HG GLN 42 22.006 -1.996 -7.002 213 HG3 GLN 42 2HG GLN 42 21.891 -3.726 -6.701 214 HE21 GLN 42 2HE2 GLN 42 23.112 -2.310 -8.914 215 HE22 GLN 42 1HE2 GLN 42 22.337 -2.886 -10.347 216 H TYR 43 H TYR 43 18.054 -6.052 -5.706 217 HA TYR 43 HA TYR 43 18.454 -7.772 -4.290 218 HB2 TYR 43 1HB TYR 43 20.198 -8.192 -6.020 219 HB3 TYR 43 2HB TYR 43 21.351 -7.299 -5.037 220 HD1 TYR 43 HD1 TYR 43 18.905 -10.094 -4.552 221 HD2 TYR 43 HD2 TYR 43 22.814 -8.585 -3.821 222 HE1 TYR 43 HE1 TYR 43 19.466 -12.154 -3.332 223 HE2 TYR 43 HE2 TYR 43 23.387 -10.640 -2.602 224 HH TYR 43 HH TYR 43 21.517 -13.436 -2.726 225 H CYS 44 H CYS 44 18.477 -5.035 -3.171 226 HA CYS 44 HA CYS 44 19.738 -5.723 -0.647 227 HB2 CYS 44 1HB CYS 44 20.450 -3.335 -2.293 228 HB3 CYS 44 2HB CYS 44 20.563 -3.266 -0.545 229 HG CYS 44 HG CYS 44 22.411 -5.368 -0.366 230 HA PRO 45 HA PRO 45 16.690 -2.328 0.549 231 HB2 PRO 45 1HB PRO 45 15.498 -0.729 -1.263 232 HB3 PRO 45 2HB PRO 45 17.107 -0.379 -0.622 233 HG2 PRO 45 1HG PRO 45 16.341 -1.641 -3.223 234 HG3 PRO 45 2HG PRO 45 17.573 -0.408 -2.897 235 HD2 PRO 45 1HD PRO 45 18.152 -3.051 -3.211 236 HD3 PRO 45 2HD PRO 45 19.112 -1.954 -2.199 237 H CYS 46 H CYS 46 14.894 -3.299 1.189 238 HA CYS 46 HA CYS 46 13.511 -5.154 -0.452 239 HB2 CYS 46 1HB CYS 46 12.771 -3.996 2.241 240 HB3 CYS 46 2HB CYS 46 11.939 -5.339 1.464 241 HG CYS 46 HG CYS 46 14.872 -5.291 3.100 242 H LEU 47 H LEU 47 12.548 -2.071 0.985 243 HA LEU 47 HA LEU 47 11.153 -0.427 0.437 244 HB2 LEU 47 1HB LEU 47 10.935 0.205 -1.945 245 HB3 LEU 47 2HB LEU 47 12.576 0.009 -1.373 246 HG LEU 47 HG LEU 47 12.012 -2.463 -2.446 247 HD11 LEU 47 1HD1 LEU 47 9.932 -1.669 -3.423 248 HD12 LEU 47 2HD1 LEU 47 11.123 -2.038 -4.673 249 HD13 LEU 47 3HD1 LEU 47 10.799 -0.360 -4.229 250 HD21 LEU 47 3HD2 LEU 47 13.280 -0.105 -3.809 251 HD22 LEU 47 1HD2 LEU 47 13.530 -1.806 -4.190 252 HD23 LEU 47 2HD2 LEU 47 14.067 -1.166 -2.641 253 H TYR 48 H TYR 48 10.194 -3.110 -1.694 254 HA TYR 48 HA TYR 48 8.201 -4.067 -2.083 255 HB2 TYR 48 1HB TYR 48 7.170 -2.528 0.303 256 HB3 TYR 48 2HB TYR 48 6.401 -3.921 -0.460 257 HD1 TYR 48 HD1 TYR 48 8.689 -5.677 -0.936 258 HD2 TYR 48 HD2 TYR 48 7.763 -3.279 2.450 259 HE1 TYR 48 HE1 TYR 48 10.021 -7.166 0.469 260 HE2 TYR 48 HE2 TYR 48 9.086 -4.780 3.877 261 HH TYR 48 HH TYR 48 11.191 -7.151 2.588 262 H ILE 49 H ILE 49 8.023 -0.519 -1.584 263 HA ILE 49 HA ILE 49 5.920 -0.555 -3.629 264 HB ILE 49 HB ILE 49 5.700 0.805 -1.446 265 HG12 ILE 49 1HG1 ILE 49 4.341 0.946 -3.648 266 HG13 ILE 49 2HG1 ILE 49 4.175 2.231 -2.461 267 HG21 ILE 49 1HG2 ILE 49 7.853 1.919 -1.491 268 HG22 ILE 49 2HG2 ILE 49 6.538 3.094 -1.531 269 HG23 ILE 49 3HG2 ILE 49 7.421 2.708 -3.011 270 HD11 ILE 49 3HD1 ILE 49 5.756 3.594 -3.765 271 HD12 ILE 49 1HD1 ILE 49 4.316 3.149 -4.687 272 HD13 ILE 49 2HD1 ILE 49 5.840 2.305 -4.969 273 H VAL 50 H VAL 50 6.594 -0.581 -5.606 274 HA VAL 50 HA VAL 50 9.274 0.306 -6.271 275 HB VAL 50 HB VAL 50 7.196 -1.006 -8.030 276 HG11 VAL 50 1HG1 VAL 50 10.163 -0.647 -8.430 277 HG12 VAL 50 2HG1 VAL 50 8.889 0.201 -9.304 278 HG13 VAL 50 3HG1 VAL 50 9.080 -1.542 -9.495 279 HG21 VAL 50 3HG2 VAL 50 7.798 -2.434 -6.155 280 HG22 VAL 50 1HG2 VAL 50 9.509 -2.216 -6.522 281 HG23 VAL 50 2HG2 VAL 50 8.465 -3.068 -7.659 282 H GLN 51 H GLN 51 5.966 1.300 -6.859 283 HA GLN 51 HA GLN 51 6.731 3.795 -7.945 284 HB2 GLN 51 1HB GLN 51 6.305 3.588 -10.200 285 HB3 GLN 51 2HB GLN 51 7.015 2.016 -9.872 286 HG2 GLN 51 1HG GLN 51 4.718 1.107 -9.640 287 HG3 GLN 51 2HG GLN 51 4.096 2.667 -10.153 288 HE21 GLN 51 2HE2 GLN 51 3.836 0.049 -11.396 289 HE22 GLN 51 1HE2 GLN 51 4.465 0.229 -12.999 290 H VAL 52 H VAL 52 4.818 5.030 -8.628 291 HA VAL 52 HA VAL 52 2.280 4.001 -7.626 292 HB VAL 52 HB VAL 52 3.468 5.227 -5.772 293 HG11 VAL 52 1HG1 VAL 52 3.083 7.542 -7.639 294 HG12 VAL 52 2HG1 VAL 52 4.577 6.982 -6.881 295 HG13 VAL 52 3HG1 VAL 52 3.314 7.741 -5.900 296 HG21 VAL 52 3HG2 VAL 52 1.112 4.921 -5.622 297 HG22 VAL 52 1HG2 VAL 52 0.815 6.256 -6.731 298 HG23 VAL 52 2HG2 VAL 52 1.478 6.573 -5.128 299 H PHE 53 H PHE 53 0.451 5.393 -8.283 300 HA PHE 53 HA PHE 53 1.039 6.824 -10.761 301 HB2 PHE 53 1HB PHE 53 -1.463 5.249 -10.118 302 HB3 PHE 53 2HB PHE 53 -1.087 6.041 -11.643 303 HD1 PHE 53 HD2 PHE 53 1.227 5.262 -12.704 304 HD2 PHE 53 HD1 PHE 53 -1.101 2.992 -9.961 305 HE1 PHE 53 HE2 PHE 53 2.316 3.200 -13.489 306 HE2 PHE 53 HE1 PHE 53 -0.013 0.928 -10.739 307 HZ PHE 53 HZ PHE 53 1.698 1.031 -12.507 308 H ASP 54 H ASP 54 0.380 8.810 -10.840 309 HA ASP 54 HA ASP 54 0.145 10.204 -8.498 310 HB2 ASP 54 1HB ASP 54 -0.375 11.145 -11.307 311 HB3 ASP 54 2HB ASP 54 0.098 12.120 -9.941 312 H ASN 55 H ASN 55 -2.395 8.891 -10.330 313 HA ASN 55 HA ASN 55 -4.309 10.898 -9.406 314 HB2 ASN 55 1HB ASN 55 -4.402 8.947 -11.700 315 HB3 ASN 55 2HB ASN 55 -5.847 9.760 -11.109 316 HD21 ASN 55 2HD2 ASN 55 -2.788 10.150 -12.701 317 HD22 ASN 55 1HD2 ASN 55 -3.087 11.737 -13.319 318 H THR 56 H THR 56 -3.049 8.222 -8.266 319 HA THR 56 HA THR 56 -5.601 6.902 -7.616 320 HB THR 56 HB THR 56 -4.363 4.945 -7.123 321 HG1 THR 56 HG1 THR 56 -2.492 5.166 -6.173 322 HG21 THR 56 3HG2 THR 56 -4.472 5.486 -9.531 323 HG22 THR 56 1HG2 THR 56 -3.036 4.548 -9.114 324 HG23 THR 56 2HG2 THR 56 -2.901 6.286 -9.390 325 HA PRO 57 HA PRO 57 -5.812 8.584 -3.621 326 HB2 PRO 57 1HB PRO 57 -5.824 6.272 -2.012 327 HB3 PRO 57 2HB PRO 57 -7.236 7.065 -2.702 328 HG2 PRO 57 1HG PRO 57 -5.730 4.693 -3.691 329 HG3 PRO 57 2HG PRO 57 -7.469 5.022 -3.746 330 HD2 PRO 57 1HD PRO 57 -5.960 5.264 -5.928 331 HD3 PRO 57 2HD PRO 57 -7.271 6.414 -5.595 332 H ALA 58 H ALA 58 -3.624 5.824 -3.854 333 HA ALA 58 HA ALA 58 -1.931 6.326 -1.711 334 HB1 ALA 58 3HB ALA 58 -1.902 4.258 -3.003 335 HB2 ALA 58 1HB ALA 58 -0.290 4.959 -2.873 336 HB3 ALA 58 2HB ALA 58 -1.204 5.120 -4.373 337 H ALA 59 H ALA 59 -1.425 7.353 -5.140 338 HA ALA 59 HA ALA 59 0.824 9.003 -4.365 339 HB1 ALA 59 3HB ALA 59 0.804 8.112 -6.579 340 HB2 ALA 59 1HB ALA 59 0.659 9.862 -6.690 341 HB3 ALA 59 2HB ALA 59 -0.768 8.841 -6.923 342 H LEU 60 H LEU 60 -2.420 9.581 -5.542 343 HA LEU 60 HA LEU 60 -2.662 12.261 -5.704 344 HB2 LEU 60 1HB LEU 60 -4.254 10.283 -6.087 345 HB3 LEU 60 2HB LEU 60 -4.745 10.516 -4.424 346 HG LEU 60 HG LEU 60 -6.334 11.493 -5.951 347 HD11 LEU 60 1HD1 LEU 60 -6.460 13.762 -5.041 348 HD12 LEU 60 2HD1 LEU 60 -4.816 13.595 -4.422 349 HD13 LEU 60 3HD1 LEU 60 -6.102 12.560 -3.799 350 HD21 LEU 60 3HD2 LEU 60 -4.778 11.950 -7.790 351 HD22 LEU 60 1HD2 LEU 60 -4.089 13.284 -6.866 352 HD23 LEU 60 2HD2 LEU 60 -5.770 13.356 -7.395 353 H ASP 61 H ASP 61 -4.002 10.659 -2.815 354 HA ASP 61 HA ASP 61 -3.516 13.128 -1.327 355 HB2 ASP 61 1HB ASP 61 -5.814 12.208 -1.373 356 HB3 ASP 61 2HB ASP 61 -5.228 10.754 -0.572 357 H GLY 62 H GLY 62 -2.550 9.808 -1.460 358 HA2 GLY 62 1HA GLY 62 -1.910 9.563 1.318 359 HA3 GLY 62 2HA GLY 62 -1.510 8.412 0.059 360 H THR 63 H THR 63 0.022 10.166 -1.534 361 HA THR 63 HA THR 63 2.135 10.811 -1.884 362 HB THR 63 HB THR 63 3.291 12.217 -0.369 363 HG1 THR 63 HG1 THR 63 1.705 10.948 1.618 364 HG21 THR 63 3HG2 THR 63 1.335 13.224 -1.297 365 HG22 THR 63 1HG2 THR 63 1.466 13.747 0.384 366 HG23 THR 63 2HG2 THR 63 0.315 12.484 -0.066 367 H VAL 64 H VAL 64 1.364 8.200 -0.810 368 HA VAL 64 HA VAL 64 3.829 7.205 0.358 369 HB VAL 64 HB VAL 64 2.671 4.945 0.204 370 HG11 VAL 64 1HG1 VAL 64 1.771 5.355 2.299 371 HG12 VAL 64 2HG1 VAL 64 1.238 6.978 1.846 372 HG13 VAL 64 3HG1 VAL 64 2.954 6.651 2.084 373 HG21 VAL 64 3HG2 VAL 64 0.238 5.000 0.066 374 HG22 VAL 64 1HG2 VAL 64 0.942 5.590 -1.439 375 HG23 VAL 64 2HG2 VAL 64 0.276 6.730 -0.270 376 H ALA 65 H ALA 65 4.746 8.128 -1.610 377 HA ALA 65 HA ALA 65 4.264 6.687 -4.076 378 HB1 ALA 65 3HB ALA 65 6.086 9.022 -3.545 379 HB2 ALA 65 1HB ALA 65 4.417 9.113 -4.108 380 HB3 ALA 65 2HB ALA 65 5.652 8.375 -5.127 381 H ALA 66 H ALA 66 6.439 6.623 -5.454 382 HA ALA 66 HA ALA 66 7.541 4.188 -4.725 383 HB1 ALA 66 3HB ALA 66 7.321 5.329 -7.014 384 HB2 ALA 66 1HB ALA 66 8.725 4.298 -6.718 385 HB3 ALA 66 2HB ALA 66 8.884 6.051 -6.634 386 H GLY 67 H GLY 67 9.365 3.536 -3.740 387 HA2 GLY 67 1HA GLY 67 11.731 3.908 -3.376 388 HA3 GLY 67 2HA GLY 67 11.361 5.598 -3.084 389 H ASP 68 H ASP 68 8.910 4.215 -1.504 390 HA ASP 68 HA ASP 68 10.481 4.221 0.977 391 HB2 ASP 68 1HB ASP 68 8.138 5.474 0.466 392 HB3 ASP 68 2HB ASP 68 7.546 3.968 1.162 393 H GLU 69 H GLU 69 9.421 2.678 2.728 394 HA GLU 69 HA GLU 69 9.157 0.049 1.443 395 HB2 GLU 69 1HB GLU 69 11.428 0.480 2.477 396 HB3 GLU 69 2HB GLU 69 10.620 0.514 4.039 397 HG2 GLU 69 1HG GLU 69 9.970 -1.754 3.856 398 HG3 GLU 69 2HG GLU 69 10.438 -1.819 2.157 399 H ILE 70 H ILE 70 7.024 -0.169 1.640 400 HA ILE 70 HA ILE 70 5.524 0.586 3.942 401 HB ILE 70 HB ILE 70 4.596 -1.441 1.928 402 HG12 ILE 70 1HG1 ILE 70 5.564 0.361 0.607 403 HG13 ILE 70 2HG1 ILE 70 3.810 0.400 0.491 404 HG21 ILE 70 1HG2 ILE 70 3.140 -1.031 3.816 405 HG22 ILE 70 2HG2 ILE 70 2.412 -0.404 2.337 406 HG23 ILE 70 3HG2 ILE 70 3.167 0.702 3.485 407 HD11 ILE 70 3HD1 ILE 70 3.761 2.222 2.121 408 HD12 ILE 70 1HD1 ILE 70 4.704 2.630 0.687 409 HD13 ILE 70 2HD1 ILE 70 5.523 2.193 2.189 410 H THR 71 H THR 71 5.573 -0.461 5.841 411 HA THR 71 HA THR 71 6.734 -3.120 5.920 412 HB THR 71 HB THR 71 7.620 -1.544 7.500 413 HG1 THR 71 HG1 THR 71 7.221 -3.814 8.139 414 HG21 THR 71 3HG2 THR 71 6.243 -0.610 9.320 415 HG22 THR 71 1HG2 THR 71 4.805 -1.297 8.565 416 HG23 THR 71 2HG2 THR 71 5.725 -0.040 7.735 417 H GLY 72 H GLY 72 3.608 -1.614 6.534 418 HA2 GLY 72 1HA GLY 72 2.474 -4.272 6.853 419 HA3 GLY 72 2HA GLY 72 2.325 -3.202 8.233 420 H VAL 73 H VAL 73 0.221 -4.376 6.834 421 HA VAL 73 HA VAL 73 -1.156 -2.050 5.705 422 HB VAL 73 HB VAL 73 -0.992 -3.254 3.742 423 HG11 VAL 73 1HG1 VAL 73 -0.850 -5.802 5.368 424 HG12 VAL 73 2HG1 VAL 73 0.541 -4.912 4.754 425 HG13 VAL 73 3HG1 VAL 73 -0.592 -5.661 3.628 426 HG21 VAL 73 3HG2 VAL 73 -2.870 -4.875 3.502 427 HG22 VAL 73 1HG2 VAL 73 -3.349 -3.336 4.230 428 HG23 VAL 73 2HG2 VAL 73 -3.105 -4.757 5.251 429 H ASN 74 H ASN 74 -3.043 -1.679 6.808 430 HA ASN 74 HA ASN 74 -4.882 -2.018 8.125 431 HB2 ASN 74 1HB ASN 74 -5.234 -3.738 6.250 432 HB3 ASN 74 2HB ASN 74 -4.671 -4.940 7.391 433 HD21 ASN 74 2HD2 ASN 74 -7.205 -2.803 6.526 434 HD22 ASN 74 1HD2 ASN 74 -8.388 -3.472 7.578 435 H GLY 75 H GLY 75 -2.136 -2.353 9.164 436 HA2 GLY 75 1HA GLY 75 -1.510 -2.486 11.426 437 HA3 GLY 75 2HA GLY 75 -2.867 -3.559 11.717 438 H ARG 76 H ARG 76 -1.877 -5.087 9.176 439 HA ARG 76 HA ARG 76 -0.080 -6.779 10.723 440 HB2 ARG 76 1HB ARG 76 -1.080 -8.285 8.687 441 HB3 ARG 76 2HB ARG 76 -1.749 -8.197 10.299 442 HG2 ARG 76 1HG ARG 76 -3.132 -6.242 9.397 443 HG3 ARG 76 2HG ARG 76 -2.672 -6.845 7.806 444 HD2 ARG 76 1HD ARG 76 -3.777 -8.898 8.150 445 HD3 ARG 76 2HD ARG 76 -3.931 -8.614 9.885 446 HE ARG 76 HE ARG 76 -5.301 -6.555 8.706 447 HH11 ARG 76 1HH1 ARG 76 -5.516 -10.044 8.593 448 HH12 ARG 76 2HH1 ARG 76 -7.230 -10.054 8.345 449 HH21 ARG 76 1HH2 ARG 76 -7.555 -6.564 8.398 450 HH22 ARG 76 2HH2 ARG 76 -8.394 -8.076 8.245 451 H SER 77 H SER 77 1.854 -7.377 9.937 452 HA SER 77 HA SER 77 3.107 -5.865 7.914 453 HB2 SER 77 1HB SER 77 3.997 -8.492 9.124 454 HB3 SER 77 2HB SER 77 5.023 -7.312 8.308 455 HG SER 77 HG SER 77 5.026 -6.096 10.042 456 H ILE 78 H ILE 78 3.880 -6.436 5.903 457 HA ILE 78 HA ILE 78 2.244 -8.423 4.502 458 HB ILE 78 HB ILE 78 3.713 -7.397 2.510 459 HG12 ILE 78 1HG1 ILE 78 3.817 -4.920 2.831 460 HG13 ILE 78 2HG1 ILE 78 3.463 -5.147 4.536 461 HG21 ILE 78 1HG2 ILE 78 1.267 -6.267 3.782 462 HG22 ILE 78 2HG2 ILE 78 1.352 -7.534 2.569 463 HG23 ILE 78 3HG2 ILE 78 1.799 -5.879 2.152 464 HD11 ILE 78 3HD1 ILE 78 5.854 -4.731 3.979 465 HD12 ILE 78 1HD1 ILE 78 5.881 -6.302 3.181 466 HD13 ILE 78 2HD1 ILE 78 5.547 -6.193 4.914 467 H LYS 79 H LYS 79 5.297 -7.714 5.591 468 HA LYS 79 HA LYS 79 7.045 -9.217 4.054 469 HB2 LYS 79 1HB LYS 79 7.271 -7.488 6.063 470 HB3 LYS 79 2HB LYS 79 7.442 -8.952 6.998 471 HG2 LYS 79 1HG LYS 79 9.204 -8.018 4.735 472 HG3 LYS 79 2HG LYS 79 9.608 -8.030 6.447 473 HD2 LYS 79 1HD LYS 79 10.659 -9.950 5.887 474 HD3 LYS 79 2HD LYS 79 9.046 -10.639 6.086 475 HE2 LYS 79 1HE LYS 79 8.643 -10.384 3.683 476 HE3 LYS 79 2HE LYS 79 10.254 -9.697 3.483 477 HZ1 LYS 79 3HZ LYS 79 10.099 -12.076 2.911 478 HZ2 LYS 79 1HZ LYS 79 9.721 -12.424 4.520 479 HZ3 LYS 79 2HZ LYS 79 11.230 -11.765 4.127 480 H GLY 80 H GLY 80 4.727 -10.192 6.423 481 HA2 GLY 80 1HA GLY 80 5.936 -12.652 7.173 482 HA3 GLY 80 2HA GLY 80 4.272 -12.181 7.465 483 H LYS 81 H LYS 81 4.204 -11.749 4.310 484 HA LYS 81 HA LYS 81 3.892 -14.613 3.755 485 HB2 LYS 81 1HB LYS 81 1.745 -14.235 2.611 486 HB3 LYS 81 2HB LYS 81 1.677 -13.892 4.326 487 HG2 LYS 81 1HG LYS 81 1.993 -11.761 2.233 488 HG3 LYS 81 2HG LYS 81 0.430 -12.314 2.825 489 HD2 LYS 81 1HD LYS 81 2.618 -11.095 4.499 490 HD3 LYS 81 2HD LYS 81 1.179 -10.273 3.940 491 HE2 LYS 81 1HE LYS 81 1.237 -12.670 5.770 492 HE3 LYS 81 2HE LYS 81 0.992 -11.004 6.280 493 HZ1 LYS 81 3HZ LYS 81 -1.058 -10.925 5.084 494 HZ2 LYS 81 1HZ LYS 81 -1.078 -12.293 6.078 495 HZ3 LYS 81 2HZ LYS 81 -0.803 -12.460 4.419 496 H THR 82 H THR 82 2.481 -13.221 1.181 497 HA THR 82 HA THR 82 5.014 -13.042 -0.296 498 HB THR 82 HB THR 82 4.133 -14.580 -2.036 499 HG1 THR 82 HG1 THR 82 2.235 -15.465 -0.115 500 HG21 THR 82 3HG2 THR 82 4.376 -15.825 0.706 501 HG22 THR 82 1HG2 THR 82 5.713 -15.426 -0.373 502 HG23 THR 82 2HG2 THR 82 4.553 -16.673 -0.831 503 H LYS 83 H LYS 83 4.614 -12.426 -2.598 504 HA LYS 83 HA LYS 83 3.449 -9.962 -2.787 505 HB2 LYS 83 1HB LYS 83 3.426 -11.638 -5.242 506 HB3 LYS 83 2HB LYS 83 4.062 -10.019 -4.994 507 HG2 LYS 83 1HG LYS 83 5.796 -11.232 -3.536 508 HG3 LYS 83 2HG LYS 83 5.311 -12.649 -4.450 509 HD2 LYS 83 1HD LYS 83 5.775 -11.461 -6.541 510 HD3 LYS 83 2HD LYS 83 6.290 -10.047 -5.617 511 HE2 LYS 83 1HE LYS 83 8.050 -11.377 -4.582 512 HE3 LYS 83 2HE LYS 83 7.539 -12.775 -5.526 513 HZ1 LYS 83 3HZ LYS 83 8.023 -11.480 -7.543 514 HZ2 LYS 83 1HZ LYS 83 9.395 -11.731 -6.589 515 HZ3 LYS 83 2HZ LYS 83 8.628 -10.228 -6.582 516 H VAL 84 H VAL 84 2.094 -12.938 -4.125 517 HA VAL 84 HA VAL 84 -0.258 -11.880 -5.063 518 HB VAL 84 HB VAL 84 0.516 -14.063 -5.720 519 HG11 VAL 84 1HG1 VAL 84 0.394 -15.990 -4.229 520 HG12 VAL 84 2HG1 VAL 84 -0.099 -14.937 -2.904 521 HG13 VAL 84 3HG1 VAL 84 1.507 -14.771 -3.610 522 HG21 VAL 84 3HG2 VAL 84 -1.844 -13.594 -5.892 523 HG22 VAL 84 1HG2 VAL 84 -2.096 -14.224 -4.269 524 HG23 VAL 84 2HG2 VAL 84 -1.559 -15.301 -5.558 525 H GLU 85 H GLU 85 0.463 -13.136 -1.841 526 HA GLU 85 HA GLU 85 -2.218 -12.900 -0.910 527 HB2 GLU 85 1HB GLU 85 0.336 -13.117 0.690 528 HB3 GLU 85 2HB GLU 85 -1.292 -13.421 1.277 529 HG2 GLU 85 1HG GLU 85 -1.489 -15.291 -0.298 530 HG3 GLU 85 2HG GLU 85 0.165 -15.002 -0.824 531 H VAL 86 H VAL 86 0.641 -10.819 -0.770 532 HA VAL 86 HA VAL 86 -0.418 -9.083 1.205 533 HB VAL 86 HB VAL 86 1.342 -7.517 0.630 534 HG11 VAL 86 1HG1 VAL 86 2.365 -10.349 0.610 535 HG12 VAL 86 2HG1 VAL 86 1.840 -9.472 2.049 536 HG13 VAL 86 3HG1 VAL 86 3.249 -8.920 1.143 537 HG21 VAL 86 3HG2 VAL 86 2.988 -7.989 -1.088 538 HG22 VAL 86 1HG2 VAL 86 1.386 -7.709 -1.777 539 HG23 VAL 86 2HG2 VAL 86 2.012 -9.354 -1.639 540 H ALA 87 H ALA 87 -0.271 -8.792 -2.329 541 HA ALA 87 HA ALA 87 -1.779 -6.426 -2.619 542 HB1 ALA 87 3HB ALA 87 -1.733 -8.856 -4.416 543 HB2 ALA 87 1HB ALA 87 -0.613 -7.496 -4.482 544 HB3 ALA 87 2HB ALA 87 -2.319 -7.251 -4.856 545 H LYS 88 H LYS 88 -2.777 -9.819 -2.284 546 HA LYS 88 HA LYS 88 -5.538 -9.443 -2.671 547 HB2 LYS 88 1HB LYS 88 -4.547 -11.648 -2.729 548 HB3 LYS 88 2HB LYS 88 -4.037 -11.505 -1.053 549 HG2 LYS 88 1HG LYS 88 -6.232 -11.666 -0.273 550 HG3 LYS 88 2HG LYS 88 -6.918 -11.403 -1.877 551 HD2 LYS 88 1HD LYS 88 -6.011 -13.508 -2.633 552 HD3 LYS 88 2HD LYS 88 -5.256 -13.782 -1.062 553 HE2 LYS 88 1HE LYS 88 -8.224 -13.509 -1.525 554 HE3 LYS 88 2HE LYS 88 -7.369 -15.042 -1.381 555 HZ1 LYS 88 3HZ LYS 88 -6.650 -14.306 0.858 556 HZ2 LYS 88 1HZ LYS 88 -8.321 -14.509 0.716 557 HZ3 LYS 88 2HZ LYS 88 -7.659 -12.956 0.713 558 H MET 89 H MET 89 -3.600 -9.531 0.315 559 HA MET 89 HA MET 89 -5.536 -9.138 2.204 560 HB2 MET 89 1HB MET 89 -2.752 -8.108 2.033 561 HB3 MET 89 2HB MET 89 -3.753 -7.906 3.466 562 HG2 MET 89 1HG MET 89 -3.083 -10.529 2.168 563 HG3 MET 89 2HG MET 89 -2.307 -9.857 3.585 564 HE1 MET 89 3HE MET 89 -5.258 -9.796 6.175 565 HE2 MET 89 1HE MET 89 -4.910 -8.501 5.030 566 HE3 MET 89 2HE MET 89 -3.590 -9.325 5.856 567 H ILE 90 H ILE 90 -3.927 -6.722 0.223 568 HA ILE 90 HA ILE 90 -5.232 -4.479 1.318 569 HB ILE 90 HB ILE 90 -3.824 -4.934 -1.313 570 HG12 ILE 90 1HG1 ILE 90 -3.083 -3.243 1.078 571 HG13 ILE 90 2HG1 ILE 90 -2.592 -4.922 0.890 572 HG21 ILE 90 1HG2 ILE 90 -5.535 -3.212 -1.670 573 HG22 ILE 90 2HG2 ILE 90 -3.908 -2.537 -1.715 574 HG23 ILE 90 3HG2 ILE 90 -4.917 -2.312 -0.284 575 HD11 ILE 90 3HD1 ILE 90 -0.855 -3.296 0.257 576 HD12 ILE 90 1HD1 ILE 90 -1.909 -2.719 -1.032 577 HD13 ILE 90 2HD1 ILE 90 -1.311 -4.378 -1.059 578 H GLN 91 H GLN 91 -5.947 -6.470 -1.557 579 HA GLN 91 HA GLN 91 -8.230 -5.090 -2.418 580 HB2 GLN 91 1HB GLN 91 -7.858 -8.076 -2.589 581 HB3 GLN 91 2HB GLN 91 -8.758 -7.041 -3.670 582 HG2 GLN 91 1HG GLN 91 -6.752 -6.074 -4.515 583 HG3 GLN 91 2HG GLN 91 -5.781 -6.945 -3.339 584 HE21 GLN 91 2HE2 GLN 91 -5.640 -6.967 -6.248 585 HE22 GLN 91 1HE2 GLN 91 -5.861 -8.612 -6.732 586 H GLU 92 H GLU 92 -7.816 -7.716 -0.122 587 HA GLU 92 HA GLU 92 -10.474 -8.582 -0.037 588 HB2 GLU 92 1HB GLU 92 -8.641 -10.000 0.626 589 HB3 GLU 92 2HB GLU 92 -8.223 -8.919 1.942 590 HG2 GLU 92 1HG GLU 92 -10.134 -9.495 3.168 591 HG3 GLU 92 2HG GLU 92 -10.888 -10.263 1.776 592 H VAL 93 H VAL 93 -8.672 -6.621 2.292 593 HA VAL 93 HA VAL 93 -10.691 -6.196 4.126 594 HB VAL 93 HB VAL 93 -9.537 -4.245 4.911 595 HG11 VAL 93 1HG1 VAL 93 -7.255 -5.139 5.154 596 HG12 VAL 93 2HG1 VAL 93 -7.609 -6.325 3.895 597 HG13 VAL 93 3HG1 VAL 93 -8.501 -6.360 5.418 598 HG21 VAL 93 3HG2 VAL 93 -7.912 -4.283 2.372 599 HG22 VAL 93 1HG2 VAL 93 -7.710 -3.178 3.734 600 HG23 VAL 93 2HG2 VAL 93 -9.179 -3.116 2.756 601 H LYS 94 H LYS 94 -10.157 -4.601 1.048 602 HA LYS 94 HA LYS 94 -11.547 -3.473 -0.339 603 HB2 LYS 94 1HB LYS 94 -13.001 -5.398 0.138 604 HB3 LYS 94 2HB LYS 94 -13.707 -4.524 1.490 605 HG2 LYS 94 1HG LYS 94 -14.429 -2.771 -0.167 606 HG3 LYS 94 2HG LYS 94 -13.939 -3.891 -1.440 607 HD2 LYS 94 1HD LYS 94 -15.987 -4.444 0.707 608 HD3 LYS 94 2HD LYS 94 -16.343 -4.038 -0.971 609 HE2 LYS 94 1HE LYS 94 -14.788 -6.460 -0.066 610 HE3 LYS 94 2HE LYS 94 -16.496 -6.460 -0.495 611 HZ1 LYS 94 3HZ LYS 94 -15.192 -7.207 -2.346 612 HZ2 LYS 94 1HZ LYS 94 -14.229 -5.820 -2.300 613 HZ3 LYS 94 2HZ LYS 94 -15.859 -5.704 -2.726 614 H GLY 95 H GLY 95 -12.060 -1.360 -0.620 615 HA2 GLY 95 1HA GLY 95 -13.534 0.434 -0.193 616 HA3 GLY 95 2HA GLY 95 -13.666 -0.096 1.475 617 H GLU 96 H GLU 96 -11.045 -0.238 2.271 618 HA GLU 96 HA GLU 96 -10.111 2.463 1.858 619 HB2 GLU 96 1HB GLU 96 -9.898 2.913 4.196 620 HB3 GLU 96 2HB GLU 96 -11.553 2.399 3.893 621 HG2 GLU 96 1HG GLU 96 -11.112 0.237 4.739 622 HG3 GLU 96 2HG GLU 96 -9.396 0.554 4.845 623 H VAL 97 H VAL 97 -7.995 2.642 3.307 624 HA VAL 97 HA VAL 97 -6.425 0.204 3.308 625 HB VAL 97 HB VAL 97 -4.638 0.959 1.906 626 HG11 VAL 97 1HG1 VAL 97 -6.652 -0.036 0.787 627 HG12 VAL 97 2HG1 VAL 97 -5.595 0.919 -0.248 628 HG13 VAL 97 3HG1 VAL 97 -7.111 1.611 0.335 629 HG21 VAL 97 3HG2 VAL 97 -4.665 3.322 2.453 630 HG22 VAL 97 1HG2 VAL 97 -6.155 3.535 1.533 631 HG23 VAL 97 2HG2 VAL 97 -4.662 3.090 0.705 632 H THR 98 H THR 98 -4.615 0.357 4.643 633 HA THR 98 HA THR 98 -4.080 2.957 5.877 634 HB THR 98 HB THR 98 -3.704 1.652 8.051 635 HG1 THR 98 HG1 THR 98 -5.632 -0.166 7.198 636 HG21 THR 98 3HG2 THR 98 -6.071 1.775 8.690 637 HG22 THR 98 1HG2 THR 98 -6.520 1.909 6.991 638 HG23 THR 98 2HG2 THR 98 -5.587 3.190 7.759 639 H ILE 99 H ILE 99 -2.040 3.429 5.351 640 HA ILE 99 HA ILE 99 -0.194 1.210 4.842 641 HB ILE 99 HB ILE 99 1.212 3.162 3.792 642 HG12 ILE 99 1HG1 ILE 99 -0.529 4.905 4.480 643 HG13 ILE 99 2HG1 ILE 99 0.028 4.943 2.814 644 HG21 ILE 99 1HG2 ILE 99 -1.142 1.888 2.420 645 HG22 ILE 99 2HG2 ILE 99 0.480 1.215 2.585 646 HG23 ILE 99 3HG2 ILE 99 0.218 2.658 1.605 647 HD11 ILE 99 3HD1 ILE 99 -2.482 3.526 3.586 648 HD12 ILE 99 1HD1 ILE 99 -1.982 4.109 2.000 649 HD13 ILE 99 2HD1 ILE 99 -2.438 5.257 3.265 650 H HIS 100 H HIS 100 1.454 0.850 6.099 651 HA HIS 100 HA HIS 100 2.241 2.951 7.994 652 HB2 HIS 100 1HB HIS 100 2.459 -0.056 8.156 653 HB3 HIS 100 2HB HIS 100 3.305 1.017 9.265 654 HD1 HIS 100 HD1 HIS 100 1.718 -0.447 10.983 655 HD2 HIS 100 HD2 HIS 100 -0.143 2.432 8.631 656 HE1 HIS 100 HE1 HIS 100 -0.490 0.006 12.088 657 HE2 HIS 100 HE2 HIS 100 -1.680 1.574 10.525 658 H TYR 101 H TYR 101 4.021 3.992 7.499 659 HA TYR 101 HA TYR 101 5.866 3.072 5.527 660 HB2 TYR 101 1HB TYR 101 5.465 5.505 7.129 661 HB3 TYR 101 2HB TYR 101 7.145 5.145 6.764 662 HD1 TYR 101 HD2 TYR 101 4.759 4.016 4.292 663 HD2 TYR 101 HD1 TYR 101 7.117 7.329 5.550 664 HE1 TYR 101 HE2 TYR 101 4.516 5.031 2.068 665 HE2 TYR 101 HE1 TYR 101 6.875 8.351 3.329 666 HH TYR 101 HH TYR 101 6.397 7.661 1.029 667 H ASN 102 H ASN 102 8.133 2.893 5.843 668 HA ASN 102 HA ASN 102 9.433 2.715 8.328 669 HB2 ASN 102 1HB ASN 102 8.888 0.633 8.984 670 HB3 ASN 102 2HB ASN 102 8.012 0.337 7.481 671 HD21 ASN 102 2HD2 ASN 102 9.157 -0.571 5.710 672 HD22 ASN 102 1HD2 ASN 102 10.627 -1.456 5.968 673 H LYS 103 H LYS 103 11.724 2.205 8.002 674 HA LYS 103 HA LYS 103 12.501 2.646 5.222 675 HB2 LYS 103 1HB LYS 103 13.682 3.341 7.835 676 HB3 LYS 103 2HB LYS 103 14.819 2.940 6.558 677 HG2 LYS 103 1HG LYS 103 14.389 5.348 6.720 678 HG3 LYS 103 2HG LYS 103 13.931 4.688 5.154 679 HD2 LYS 103 1HD LYS 103 11.786 4.740 7.165 680 HD3 LYS 103 2HD LYS 103 12.369 6.321 6.655 681 HE2 LYS 103 1HE LYS 103 11.956 5.733 4.322 682 HE3 LYS 103 2HE LYS 103 11.411 4.132 4.812 683 HZ1 LYS 103 3HZ LYS 103 10.107 6.721 5.421 684 HZ2 LYS 103 1HZ LYS 103 9.635 5.244 6.099 685 HZ3 LYS 103 2HZ LYS 103 9.512 5.482 4.427 686 H LEU 104 H LEU 104 12.938 0.269 7.798 687 HA LEU 104 HA LEU 104 13.902 -1.564 5.820 688 HB2 LEU 104 1HB LEU 104 15.927 -2.265 7.097 689 HB3 LEU 104 2HB LEU 104 16.040 -0.726 6.287 690 HG LEU 104 HG LEU 104 17.195 -0.702 8.425 691 HD11 LEU 104 1HD1 LEU 104 14.749 1.034 8.391 692 HD12 LEU 104 2HD1 LEU 104 16.331 1.395 7.700 693 HD13 LEU 104 3HD1 LEU 104 16.139 1.271 9.449 694 HD21 LEU 104 3HD2 LEU 104 16.015 -0.844 10.548 695 HD22 LEU 104 1HD2 LEU 104 15.898 -2.351 9.637 696 HD23 LEU 104 2HD2 LEU 104 14.523 -1.245 9.695 697 H GLN 105 H GLN 105 13.299 -3.566 6.157 698 HA GLN 105 HA GLN 105 11.963 -4.225 8.647 699 HB2 GLN 105 1HB GLN 105 12.213 -5.729 6.037 700 HB3 GLN 105 2HB GLN 105 11.327 -6.325 7.432 701 HG2 GLN 105 1HG GLN 105 10.705 -3.776 5.962 702 HG3 GLN 105 2HG GLN 105 9.887 -5.318 5.711 703 HE21 GLN 105 2HE2 GLN 105 10.424 -2.686 7.916 704 HE22 GLN 105 1HE2 GLN 105 9.067 -3.012 8.940 705 H ALA 106 H ALA 106 14.942 -4.615 7.153 706 HA ALA 106 HA ALA 106 15.702 -6.685 9.078 707 HB1 ALA 106 3HB ALA 106 16.934 -7.916 7.386 708 HB2 ALA 106 1HB ALA 106 16.390 -6.782 6.147 709 HB3 ALA 106 2HB ALA 106 15.222 -7.816 6.969 710 H ASP 107 H ASP 107 17.935 -6.906 9.403 711 HA ASP 107 HA ASP 107 19.650 -4.662 8.605 712 HB2 ASP 107 1HB ASP 107 18.819 -4.141 10.871 713 HB3 ASP 107 2HB ASP 107 19.250 -5.753 11.421 714 HA PRO 108 HA PRO 108 22.683 -7.613 7.269 715 HB2 PRO 108 1HB PRO 108 24.147 -6.750 9.747 716 HB3 PRO 108 2HB PRO 108 24.792 -7.099 8.142 717 HG2 PRO 108 1HG PRO 108 24.268 -4.582 8.957 718 HG3 PRO 108 2HG PRO 108 24.085 -5.090 7.270 719 HD2 PRO 108 1HD PRO 108 22.025 -4.319 9.182 720 HD3 PRO 108 2HD PRO 108 21.877 -4.597 7.438 721 H LYS 109 H LYS 109 22.457 -7.586 10.816 722 HA LYS 109 HA LYS 109 23.128 -10.250 11.293 723 HB2 LYS 109 1HB LYS 109 21.947 -9.928 13.463 724 HB3 LYS 109 2HB LYS 109 23.076 -8.632 13.088 725 HG2 LYS 109 1HG LYS 109 21.227 -7.224 12.358 726 HG3 LYS 109 2HG LYS 109 20.088 -8.532 12.676 727 HD2 LYS 109 1HD LYS 109 20.005 -7.005 14.517 728 HD3 LYS 109 2HD LYS 109 20.818 -8.472 15.068 729 HE2 LYS 109 1HE LYS 109 22.979 -7.400 14.803 730 HE3 LYS 109 2HE LYS 109 22.204 -5.949 14.167 731 HZ1 LYS 109 3HZ LYS 109 21.085 -5.678 16.301 732 HZ2 LYS 109 1HZ LYS 109 22.768 -5.673 16.483 733 HZ3 LYS 109 2HZ LYS 109 21.876 -7.045 16.904 734 H GLN 110 H GLN 110 19.940 -8.808 10.852 735 HA GLN 110 HA GLN 110 18.589 -11.333 11.160 736 HB2 GLN 110 1HB GLN 110 17.697 -8.511 10.719 737 HB3 GLN 110 2HB GLN 110 16.580 -9.852 10.729 738 HG2 GLN 110 1HG GLN 110 18.327 -8.967 12.988 739 HG3 GLN 110 2HG GLN 110 16.591 -8.754 12.851 740 HE21 GLN 110 2HE2 GLN 110 15.226 -10.504 13.162 741 HE22 GLN 110 1HE2 GLN 110 15.768 -11.972 13.902 742 H LEU 111 H LEU 111 19.904 -9.412 8.729 743 HA LEU 111 HA LEU 111 18.072 -10.000 6.630 744 HB2 LEU 111 1HB LEU 111 19.434 -7.947 6.732 745 HB3 LEU 111 2HB LEU 111 20.889 -8.909 6.598 746 HG LEU 111 HG LEU 111 20.104 -7.676 4.511 747 HD11 LEU 111 1HD1 LEU 111 21.787 -9.429 4.427 748 HD12 LEU 111 2HD1 LEU 111 20.737 -9.487 3.010 749 HD13 LEU 111 3HD1 LEU 111 20.520 -10.650 4.319 750 HD21 LEU 111 3HD2 LEU 111 18.385 -8.753 3.171 751 HD22 LEU 111 1HD2 LEU 111 17.728 -8.197 4.711 752 HD23 LEU 111 2HD2 LEU 111 18.082 -9.909 4.468 753 H GLU 112 H GLU 112 21.264 -11.189 7.632 754 HA GLU 112 HA GLU 112 21.514 -13.113 5.563 755 HB2 GLU 112 1HB GLU 112 23.200 -14.159 7.057 756 HB3 GLU 112 2HB GLU 112 23.451 -12.431 6.847 757 HG2 GLU 112 1HG GLU 112 22.716 -11.933 8.985 758 HG3 GLU 112 2HG GLU 112 21.885 -13.480 9.156 759 H VAL 113 H VAL 113 19.943 -13.083 8.673 760 HA VAL 113 HA VAL 113 19.361 -15.840 8.902 761 HB VAL 113 HB VAL 113 17.935 -13.422 10.031 762 HG11 VAL 113 1HG1 VAL 113 16.905 -14.951 11.633 763 HG12 VAL 113 2HG1 VAL 113 17.619 -16.324 10.785 764 HG13 VAL 113 3HG1 VAL 113 16.414 -15.318 9.980 765 HG21 VAL 113 3HG2 VAL 113 19.930 -15.321 11.250 766 HG22 VAL 113 1HG2 VAL 113 19.114 -14.006 12.095 767 HG23 VAL 113 2HG2 VAL 113 20.230 -13.649 10.778 768 H LEU 114 H LEU 114 17.671 -13.117 7.442 769 HA LEU 114 HA LEU 114 15.361 -14.582 6.674 770 HB2 LEU 114 1HB LEU 114 16.527 -12.011 5.604 771 HB3 LEU 114 2HB LEU 114 14.959 -12.646 5.172 772 HG LEU 114 HG LEU 114 15.812 -11.688 7.900 773 HD11 LEU 114 1HD1 LEU 114 13.787 -10.601 5.952 774 HD12 LEU 114 2HD1 LEU 114 15.373 -9.908 6.285 775 HD13 LEU 114 3HD1 LEU 114 14.147 -9.953 7.552 776 HD21 LEU 114 3HD2 LEU 114 14.321 -13.581 8.144 777 HD22 LEU 114 1HD2 LEU 114 13.183 -12.862 7.005 778 HD23 LEU 114 2HD2 LEU 114 13.479 -12.090 8.562 779 H PHE 115 H PHE 115 18.531 -14.165 5.431 780 HA PHE 115 HA PHE 115 17.888 -15.126 2.773 781 HB2 PHE 115 1HB PHE 115 19.715 -13.466 3.286 782 HB3 PHE 115 2HB PHE 115 20.593 -14.783 4.051 783 HD1 PHE 115 HD1 PHE 115 18.744 -14.314 0.841 784 HD2 PHE 115 HD2 PHE 115 22.322 -15.577 2.768 785 HE1 PHE 115 HE1 PHE 115 19.704 -14.914 -1.343 786 HE2 PHE 115 HE2 PHE 115 23.285 -16.180 0.588 787 HZ PHE 115 HZ PHE 115 21.976 -15.850 -1.470 788 H GLN 116 H GLN 116 18.328 -16.499 5.778 789 HA GLN 116 HA GLN 116 19.421 -19.022 4.838 790 HB2 GLN 116 1HB GLN 116 18.439 -18.048 7.512 791 HB3 GLN 116 2HB GLN 116 18.870 -19.723 7.220 792 HG2 GLN 116 1HG GLN 116 21.137 -19.091 6.688 793 HG3 GLN 116 2HG GLN 116 20.721 -17.384 6.847 794 HE21 GLN 116 2HE2 GLN 116 21.222 -20.381 8.548 795 HE22 GLN 116 1HE2 GLN 116 21.390 -19.691 10.124 796 H GLY 117 H GLY 117 16.958 -17.987 3.719 797 HA2 GLY 117 1HA GLY 117 15.434 -20.175 3.286 798 HA3 GLY 117 2HA GLY 117 14.775 -19.549 4.797 799 HA PRO 118 HA PRO 118 14.582 -15.679 2.029 800 HB2 PRO 118 1HB PRO 118 15.142 -16.017 -0.615 801 HB3 PRO 118 2HB PRO 118 16.312 -15.491 0.574 802 HG2 PRO 118 1HG PRO 118 15.806 -18.231 -0.521 803 HG3 PRO 118 2HG PRO 118 17.354 -17.397 -0.261 804 HD2 PRO 118 1HD PRO 118 16.518 -19.183 1.499 805 HD3 PRO 118 2HD PRO 118 17.233 -17.649 2.043 806 H GLN 119 H GLN 119 13.917 -18.352 -0.235 807 HA GLN 119 HA GLN 119 12.099 -18.892 -1.479 808 HB2 GLN 119 1HB GLN 119 11.175 -18.583 1.305 809 HB3 GLN 119 2HB GLN 119 9.911 -18.643 0.086 810 HG2 GLN 119 1HG GLN 119 10.343 -20.849 0.974 811 HG3 GLN 119 2HG GLN 119 10.788 -20.770 -0.729 812 HE21 GLN 119 2HE2 GLN 119 12.179 -22.498 -0.604 813 HE22 GLN 119 1HE2 GLN 119 13.696 -22.426 0.223 814 H PHE 120 H PHE 120 12.837 -16.421 -2.196 815 HA PHE 120 HA PHE 120 10.476 -14.735 -2.262 816 HB2 PHE 120 1HB PHE 120 13.172 -14.439 -3.610 817 HB3 PHE 120 2HB PHE 120 11.876 -13.251 -3.692 818 HD1 PHE 120 HD1 PHE 120 10.935 -12.556 -1.290 819 HD2 PHE 120 HD2 PHE 120 14.832 -14.075 -2.074 820 HE1 PHE 120 HE1 PHE 120 11.756 -11.507 0.777 821 HE2 PHE 120 HE2 PHE 120 15.658 -13.026 -0.008 822 HZ PHE 120 HZ PHE 120 14.119 -11.742 1.419 823 H THR 121 H THR 121 9.199 -16.457 -3.212 824 HA THR 121 HA THR 121 9.806 -17.282 -5.914 825 HB THR 121 HB THR 121 8.837 -18.869 -4.282 826 HG1 THR 121 HG1 THR 121 8.460 -19.261 -6.486 827 HG21 THR 121 3HG2 THR 121 6.426 -18.693 -3.731 828 HG22 THR 121 1HG2 THR 121 6.409 -17.085 -4.451 829 HG23 THR 121 2HG2 THR 121 7.394 -17.400 -3.023 830 H LEU 122 H LEU 122 7.768 -17.307 -7.420 831 HA LEU 122 HA LEU 122 6.438 -16.142 -8.827 832 HB2 LEU 122 1HB LEU 122 5.861 -14.409 -6.424 833 HB3 LEU 122 2HB LEU 122 4.944 -14.426 -7.917 834 HG LEU 122 HG LEU 122 5.181 -16.727 -5.979 835 HD11 LEU 122 1HD1 LEU 122 3.831 -14.910 -5.095 836 HD12 LEU 122 2HD1 LEU 122 2.817 -16.286 -5.529 837 HD13 LEU 122 3HD1 LEU 122 2.882 -14.873 -6.581 838 HD21 LEU 122 3HD2 LEU 122 4.941 -17.525 -8.256 839 HD22 LEU 122 1HD2 LEU 122 3.575 -16.442 -8.513 840 HD23 LEU 122 2HD2 LEU 122 3.441 -17.772 -7.364 841 H ARG 123 H ARG 123 8.819 -15.636 -9.443 842 HA ARG 123 HA ARG 123 9.767 -12.987 -9.064 843 HB2 ARG 123 1HB ARG 123 10.519 -15.133 -11.044 844 HB3 ARG 123 2HB ARG 123 11.350 -13.587 -10.931 845 HG2 ARG 123 1HG ARG 123 12.101 -14.059 -8.724 846 HG3 ARG 123 2HG ARG 123 11.071 -15.489 -8.619 847 HD2 ARG 123 1HD ARG 123 13.398 -15.118 -10.502 848 HD3 ARG 123 2HD ARG 123 13.405 -16.093 -9.031 849 HE ARG 123 HE ARG 123 11.557 -16.690 -11.244 850 HH11 ARG 123 1HH1 ARG 123 14.115 -17.684 -9.069 851 HH12 ARG 123 2HH1 ARG 123 13.997 -19.356 -9.505 852 HH21 ARG 123 1HH2 ARG 123 11.410 -18.877 -11.820 853 HH22 ARG 123 2HH2 ARG 123 12.459 -20.036 -11.068 854 H HIS 124 H HIS 124 8.000 -11.714 -9.586 855 HA HIS 124 HA HIS 124 8.105 -10.647 -12.212 856 HB2 HIS 124 1HB HIS 124 5.816 -10.961 -12.896 857 HB3 HIS 124 2HB HIS 124 6.477 -12.550 -12.545 858 HD1 HIS 124 HD1 HIS 124 3.955 -10.057 -11.341 859 HD2 HIS 124 HD2 HIS 124 5.276 -13.886 -10.392 860 HE1 HIS 124 HE1 HIS 124 2.256 -10.982 -9.741 861 HE2 HIS 124 HE2 HIS 124 2.956 -13.371 -9.368 862 H TRP 125 H TRP 125 6.811 -8.621 -12.297 863 HA TRP 125 HA TRP 125 6.963 -7.295 -9.772 864 HB2 TRP 125 1HB TRP 125 6.362 -5.287 -10.949 865 HB3 TRP 125 2HB TRP 125 7.497 -6.187 -11.945 866 HD1 TRP 125 HD1 TRP 125 6.249 -7.682 -14.004 867 HE1 TRP 125 HE1 TRP 125 4.292 -6.946 -15.507 868 HE3 TRP 125 HE3 TRP 125 4.370 -3.924 -11.095 869 HZ2 TRP 125 HZ2 TRP 125 2.230 -5.017 -15.462 870 HZ3 TRP 125 HZ3 TRP 125 2.408 -2.679 -11.897 871 HH2 TRP 125 HH2 TRP 125 1.359 -3.215 -14.038 872 H LEU 126 H LEU 126 5.341 -6.456 -8.527 873 HA LEU 126 HA LEU 126 2.642 -7.516 -9.021 874 HB2 LEU 126 1HB LEU 126 3.641 -8.627 -7.128 875 HB3 LEU 126 2HB LEU 126 4.171 -7.102 -6.446 876 HG LEU 126 HG LEU 126 1.785 -6.476 -6.130 877 HD11 LEU 126 1HD1 LEU 126 0.848 -7.966 -7.844 878 HD12 LEU 126 2HD1 LEU 126 0.088 -8.217 -6.273 879 HD13 LEU 126 3HD1 LEU 126 1.292 -9.362 -6.864 880 HD21 LEU 126 3HD2 LEU 126 3.247 -7.542 -4.381 881 HD22 LEU 126 1HD2 LEU 126 2.441 -9.061 -4.761 882 HD23 LEU 126 2HD2 LEU 126 1.508 -7.701 -4.140 883 H LYS 127 H LYS 127 0.926 -6.123 -7.857 884 HA LYS 127 HA LYS 127 1.591 -3.486 -7.141 885 HB2 LYS 127 1HB LYS 127 0.985 -2.264 -8.962 886 HB3 LYS 127 2HB LYS 127 1.533 -3.698 -9.808 887 HG2 LYS 127 1HG LYS 127 -0.736 -4.480 -10.037 888 HG3 LYS 127 2HG LYS 127 -1.331 -3.134 -9.065 889 HD2 LYS 127 1HD LYS 127 -0.219 -1.643 -10.851 890 HD3 LYS 127 2HD LYS 127 -0.202 -3.104 -11.842 891 HE2 LYS 127 1HE LYS 127 -2.199 -1.995 -12.411 892 HE3 LYS 127 2HE LYS 127 -2.682 -3.298 -11.329 893 HZ1 LYS 127 3HZ LYS 127 -3.827 -1.343 -10.676 894 HZ2 LYS 127 1HZ LYS 127 -2.413 -0.420 -10.664 895 HZ3 LYS 127 2HZ LYS 127 -2.648 -1.620 -9.492 896 H VAL 128 H VAL 128 -0.227 -2.256 -6.479 897 HA VAL 128 HA VAL 128 -2.826 -3.572 -6.666 898 HB VAL 128 HB VAL 128 -2.810 -1.947 -4.308 899 HG11 VAL 128 1HG1 VAL 128 -3.408 -4.858 -4.772 900 HG12 VAL 128 2HG1 VAL 128 -4.546 -3.516 -4.891 901 HG13 VAL 128 3HG1 VAL 128 -3.842 -3.939 -3.331 902 HG21 VAL 128 3HG2 VAL 128 -0.801 -4.170 -4.364 903 HG22 VAL 128 1HG2 VAL 128 -1.590 -3.634 -2.876 904 HG23 VAL 128 2HG2 VAL 128 -0.611 -2.505 -3.808 Start of MODEL 13 1 H1 GLY 13 1H GLY 13 10.223 -9.616 14.338 2 H2 GLY 13 2H GLY 13 9.929 -8.268 15.308 3 H3 GLY 13 3H GLY 13 11.513 -8.668 14.879 4 HA2 GLY 13 1HA GLY 13 11.022 -8.222 12.558 5 HA3 GLY 13 2HA GLY 13 9.381 -7.790 13.017 6 H SER 14 H SER 14 12.761 -6.967 13.711 7 HA SER 14 HA SER 14 12.037 -4.146 13.579 8 HB2 SER 14 1HB SER 14 13.549 -3.780 15.624 9 HB3 SER 14 2HB SER 14 11.948 -4.454 15.925 10 HG SER 14 HG SER 14 14.453 -5.768 15.911 11 HA PRO 15 HA PRO 15 15.870 -5.022 11.233 12 HB2 PRO 15 1HB PRO 15 14.904 -3.247 9.195 13 HB3 PRO 15 2HB PRO 15 15.066 -5.002 9.126 14 HG2 PRO 15 1HG PRO 15 12.663 -3.654 9.115 15 HG3 PRO 15 2HG PRO 15 12.870 -5.341 9.613 16 HD2 PRO 15 1HD PRO 15 12.612 -2.883 11.298 17 HD3 PRO 15 2HD PRO 15 11.952 -4.512 11.564 18 H GLY 16 H GLY 16 14.800 -2.465 12.937 19 HA2 GLY 16 1HA GLY 16 15.972 -0.632 13.735 20 HA3 GLY 16 2HA GLY 16 17.253 -0.983 12.582 21 H ILE 17 H ILE 17 13.846 -0.548 11.859 22 HA ILE 17 HA ILE 17 14.434 1.195 9.698 23 HB ILE 17 HB ILE 17 11.960 1.435 9.508 24 HG12 ILE 17 1HG1 ILE 17 12.075 -0.165 12.052 25 HG13 ILE 17 2HG1 ILE 17 11.147 1.288 11.698 26 HG21 ILE 17 1HG2 ILE 17 11.573 -0.909 8.879 27 HG22 ILE 17 2HG2 ILE 17 13.038 -1.371 9.746 28 HG23 ILE 17 3HG2 ILE 17 13.143 -0.322 8.332 29 HD11 ILE 17 3HD1 ILE 17 10.615 -1.452 10.577 30 HD12 ILE 17 1HD1 ILE 17 9.680 0.006 10.244 31 HD13 ILE 17 2HD1 ILE 17 9.717 -0.664 11.874 32 HA PRO 18 HA PRO 18 14.725 4.965 11.788 33 HB2 PRO 18 1HB PRO 18 14.507 6.685 9.738 34 HB3 PRO 18 2HB PRO 18 15.862 5.562 9.872 35 HG2 PRO 18 1HG PRO 18 13.382 5.336 8.207 36 HG3 PRO 18 2HG PRO 18 15.066 4.996 7.760 37 HD2 PRO 18 1HD PRO 18 13.266 3.074 8.482 38 HD3 PRO 18 2HD PRO 18 15.016 2.910 8.706 39 H VAL 19 H VAL 19 12.689 6.551 9.495 40 HA VAL 19 HA VAL 19 11.093 7.529 11.653 41 HB VAL 19 HB VAL 19 10.973 8.208 8.740 42 HG11 VAL 19 1HG1 VAL 19 10.035 9.678 11.168 43 HG12 VAL 19 2HG1 VAL 19 9.031 8.917 9.937 44 HG13 VAL 19 3HG1 VAL 19 10.020 10.317 9.527 45 HG21 VAL 19 3HG2 VAL 19 12.427 10.114 9.276 46 HG22 VAL 19 1HG2 VAL 19 13.231 8.569 9.552 47 HG23 VAL 19 2HG2 VAL 19 12.605 9.494 10.917 48 HA PRO 20 HA PRO 20 7.821 4.688 10.724 49 HB2 PRO 20 1HB PRO 20 6.114 5.809 12.663 50 HB3 PRO 20 2HB PRO 20 7.259 4.493 12.904 51 HG2 PRO 20 1HG PRO 20 7.397 7.073 14.024 52 HG3 PRO 20 2HG PRO 20 8.649 5.824 14.072 53 HD2 PRO 20 1HD PRO 20 8.416 8.202 12.324 54 HD3 PRO 20 2HD PRO 20 9.858 7.333 12.865 55 H GLY 21 H GLY 21 6.175 4.700 9.307 56 HA2 GLY 21 1HA GLY 21 4.633 7.174 8.990 57 HA3 GLY 21 2HA GLY 21 5.415 6.465 7.585 58 H LYS 22 H LYS 22 2.593 6.937 8.200 59 HA LYS 22 HA LYS 22 1.576 4.591 7.026 60 HB2 LYS 22 1HB LYS 22 0.107 3.808 8.818 61 HB3 LYS 22 2HB LYS 22 1.788 3.690 9.316 62 HG2 LYS 22 1HG LYS 22 1.554 5.737 10.618 63 HG3 LYS 22 2HG LYS 22 -0.130 5.870 10.109 64 HD2 LYS 22 1HD LYS 22 -0.552 3.654 11.160 65 HD3 LYS 22 2HD LYS 22 1.100 3.684 11.779 66 HE2 LYS 22 1HE LYS 22 -1.057 5.704 12.382 67 HE3 LYS 22 2HE LYS 22 -0.498 4.434 13.468 68 HZ1 LYS 22 3HZ LYS 22 1.164 6.665 12.432 69 HZ2 LYS 22 1HZ LYS 22 1.685 5.453 13.491 70 HZ3 LYS 22 2HZ LYS 22 0.512 6.565 13.986 71 H VAL 23 H VAL 23 -0.320 5.103 5.999 72 HA VAL 23 HA VAL 23 -1.733 7.486 6.969 73 HB VAL 23 HB VAL 23 -2.147 8.268 4.685 74 HG11 VAL 23 1HG1 VAL 23 0.782 7.918 5.288 75 HG12 VAL 23 2HG1 VAL 23 -0.263 9.194 5.912 76 HG13 VAL 23 3HG1 VAL 23 0.094 9.111 4.188 77 HG21 VAL 23 3HG2 VAL 23 -1.971 6.158 3.487 78 HG22 VAL 23 1HG2 VAL 23 -0.240 6.098 3.822 79 HG23 VAL 23 2HG2 VAL 23 -0.892 7.369 2.783 80 H THR 24 H THR 24 -3.957 7.504 6.609 81 HA THR 24 HA THR 24 -5.011 4.821 6.101 82 HB THR 24 HB THR 24 -5.550 5.510 8.315 83 HG1 THR 24 HG1 THR 24 -7.890 5.675 8.164 84 HG21 THR 24 3HG2 THR 24 -5.181 7.904 8.118 85 HG22 THR 24 1HG2 THR 24 -6.760 7.586 8.837 86 HG23 THR 24 2HG2 THR 24 -6.643 8.069 7.145 87 H LEU 25 H LEU 25 -5.399 4.734 3.990 88 HA LEU 25 HA LEU 25 -6.999 6.877 2.755 89 HB2 LEU 25 1HB LEU 25 -5.389 4.742 1.364 90 HB3 LEU 25 2HB LEU 25 -6.087 6.184 0.653 91 HG LEU 25 HG LEU 25 -3.929 6.302 2.742 92 HD11 LEU 25 1HD1 LEU 25 -2.331 6.528 0.955 93 HD12 LEU 25 2HD1 LEU 25 -3.605 6.357 -0.251 94 HD13 LEU 25 3HD1 LEU 25 -3.187 4.997 0.792 95 HD21 LEU 25 3HD2 LEU 25 -3.603 8.546 1.873 96 HD22 LEU 25 1HD2 LEU 25 -5.273 8.330 2.389 97 HD23 LEU 25 2HD2 LEU 25 -4.868 8.287 0.674 98 H GLN 26 H GLN 26 -7.876 5.428 0.546 99 HA GLN 26 HA GLN 26 -9.197 3.077 1.513 100 HB2 GLN 26 1HB GLN 26 -11.393 3.883 1.291 101 HB3 GLN 26 2HB GLN 26 -10.517 5.124 2.173 102 HG2 GLN 26 1HG GLN 26 -10.220 6.318 -0.006 103 HG3 GLN 26 2HG GLN 26 -11.363 5.165 -0.695 104 HE21 GLN 26 2HE2 GLN 26 -12.724 5.068 2.004 105 HE22 GLN 26 1HE2 GLN 26 -13.724 6.487 2.005 106 H LYS 27 H LYS 27 -10.307 1.936 -0.192 107 HA LYS 27 HA LYS 27 -8.652 1.490 -2.355 108 HB2 LYS 27 1HB LYS 27 -11.601 0.859 -2.341 109 HB3 LYS 27 2HB LYS 27 -10.360 0.042 -3.234 110 HG2 LYS 27 1HG LYS 27 -10.361 0.082 -0.259 111 HG3 LYS 27 2HG LYS 27 -11.215 -1.141 -1.208 112 HD2 LYS 27 1HD LYS 27 -8.354 -0.478 -1.664 113 HD3 LYS 27 2HD LYS 27 -8.837 -1.678 -0.498 114 HE2 LYS 27 1HE LYS 27 -9.303 -1.696 -3.455 115 HE3 LYS 27 2HE LYS 27 -8.307 -2.805 -2.521 116 HZ1 LYS 27 3HZ LYS 27 -10.406 -3.513 -1.389 117 HZ2 LYS 27 1HZ LYS 27 -10.315 -3.913 -3.032 118 HZ3 LYS 27 2HZ LYS 27 -11.262 -2.611 -2.532 119 H ASP 28 H ASP 28 -8.709 1.919 -4.474 120 HA ASP 28 HA ASP 28 -9.963 4.391 -5.325 121 HB2 ASP 28 1HB ASP 28 -7.598 3.887 -5.880 122 HB3 ASP 28 2HB ASP 28 -8.114 2.460 -6.763 123 H ALA 29 H ALA 29 -10.967 4.262 -7.666 124 HA ALA 29 HA ALA 29 -13.162 2.523 -7.699 125 HB1 ALA 29 3HB ALA 29 -11.843 3.884 -10.044 126 HB2 ALA 29 1HB ALA 29 -13.060 4.605 -8.992 127 HB3 ALA 29 2HB ALA 29 -13.479 3.226 -10.009 128 H GLN 30 H GLN 30 -9.883 2.014 -8.503 129 HA GLN 30 HA GLN 30 -10.320 -0.211 -10.310 130 HB2 GLN 30 1HB GLN 30 -8.283 1.606 -9.805 131 HB3 GLN 30 2HB GLN 30 -7.654 0.078 -9.226 132 HG2 GLN 30 1HG GLN 30 -8.188 -0.922 -11.432 133 HG3 GLN 30 2HG GLN 30 -8.641 0.687 -11.999 134 HE21 GLN 30 2HE2 GLN 30 -6.041 -1.376 -11.010 135 HE22 GLN 30 1HE2 GLN 30 -4.750 -0.370 -11.561 136 H ASN 31 H ASN 31 -10.523 0.272 -7.106 137 HA ASN 31 HA ASN 31 -10.789 -1.105 -5.308 138 HB2 ASN 31 1HB ASN 31 -11.870 -2.614 -6.952 139 HB3 ASN 31 2HB ASN 31 -10.318 -3.339 -7.285 140 HD21 ASN 31 2HD2 ASN 31 -9.589 -4.944 -5.984 141 HD22 ASN 31 1HD2 ASN 31 -10.469 -5.543 -4.624 142 H LEU 32 H LEU 32 -8.295 0.013 -6.072 143 HA LEU 32 HA LEU 32 -6.751 -1.505 -4.142 144 HB2 LEU 32 1HB LEU 32 -4.717 -1.302 -5.723 145 HB3 LEU 32 2HB LEU 32 -5.901 -2.540 -6.029 146 HG LEU 32 HG LEU 32 -6.916 -1.156 -7.802 147 HD11 LEU 32 1HD1 LEU 32 -6.234 1.052 -7.070 148 HD12 LEU 32 2HD1 LEU 32 -5.659 0.738 -8.707 149 HD13 LEU 32 3HD1 LEU 32 -4.542 0.641 -7.346 150 HD21 LEU 32 3HD2 LEU 32 -5.333 -2.892 -8.357 151 HD22 LEU 32 1HD2 LEU 32 -3.990 -1.775 -8.115 152 HD23 LEU 32 2HD2 LEU 32 -5.128 -1.511 -9.434 153 H ILE 33 H ILE 33 -4.289 -0.066 -4.479 154 HA ILE 33 HA ILE 33 -5.276 2.560 -3.650 155 HB ILE 33 HB ILE 33 -2.531 2.183 -2.967 156 HG12 ILE 33 1HG1 ILE 33 -4.347 0.117 -1.734 157 HG13 ILE 33 2HG1 ILE 33 -3.227 -0.257 -3.050 158 HG21 ILE 33 1HG2 ILE 33 -3.999 3.760 -1.901 159 HG22 ILE 33 2HG2 ILE 33 -3.475 2.585 -0.693 160 HG23 ILE 33 3HG2 ILE 33 -5.089 2.465 -1.403 161 HD11 ILE 33 3HD1 ILE 33 -1.363 0.477 -1.634 162 HD12 ILE 33 1HD1 ILE 33 -2.274 -0.832 -0.890 163 HD13 ILE 33 2HD1 ILE 33 -2.494 0.822 -0.325 164 H GLY 34 H GLY 34 -3.261 0.908 -5.925 165 HA2 GLY 34 1HA GLY 34 -2.684 1.921 -7.998 166 HA3 GLY 34 2HA GLY 34 -2.766 3.499 -7.231 167 H ILE 35 H ILE 35 -1.029 0.648 -6.088 168 HA ILE 35 HA ILE 35 1.528 1.991 -6.721 169 HB ILE 35 HB ILE 35 2.430 1.051 -4.570 170 HG12 ILE 35 1HG1 ILE 35 0.394 0.923 -2.839 171 HG13 ILE 35 2HG1 ILE 35 -0.433 0.344 -4.279 172 HG21 ILE 35 1HG2 ILE 35 1.427 2.852 -3.168 173 HG22 ILE 35 2HG2 ILE 35 0.304 3.163 -4.496 174 HG23 ILE 35 3HG2 ILE 35 2.040 3.380 -4.735 175 HD11 ILE 35 3HD1 ILE 35 2.035 -0.845 -3.074 176 HD12 ILE 35 1HD1 ILE 35 1.219 -1.419 -4.527 177 HD13 ILE 35 2HD1 ILE 35 0.399 -1.490 -2.968 178 H SER 36 H SER 36 3.359 0.518 -6.436 179 HA SER 36 HA SER 36 2.777 -2.307 -6.831 180 HB2 SER 36 1HB SER 36 4.368 -0.562 -8.706 181 HB3 SER 36 2HB SER 36 4.649 -2.303 -8.603 182 HG SER 36 HG SER 36 2.270 -2.428 -8.891 183 H ILE 37 H ILE 37 4.020 -3.515 -5.589 184 HA ILE 37 HA ILE 37 6.449 -2.264 -4.447 185 HB ILE 37 HB ILE 37 4.583 -4.118 -2.941 186 HG12 ILE 37 1HG1 ILE 37 4.765 -1.110 -2.777 187 HG13 ILE 37 2HG1 ILE 37 3.440 -2.015 -3.498 188 HG21 ILE 37 1HG2 ILE 37 6.576 -4.235 -1.784 189 HG22 ILE 37 2HG2 ILE 37 5.769 -2.894 -0.974 190 HG23 ILE 37 3HG2 ILE 37 7.018 -2.575 -2.177 191 HD11 ILE 37 3HD1 ILE 37 2.898 -2.978 -1.339 192 HD12 ILE 37 1HD1 ILE 37 2.904 -1.217 -1.251 193 HD13 ILE 37 2HD1 ILE 37 4.263 -2.136 -0.605 194 H GLY 38 H GLY 38 7.430 -4.453 -3.072 195 HA2 GLY 38 1HA GLY 38 7.463 -6.826 -4.650 196 HA3 GLY 38 2HA GLY 38 8.906 -5.847 -4.891 197 H GLY 39 H GLY 39 8.841 -8.464 -3.744 198 HA2 GLY 39 1HA GLY 39 8.872 -8.358 -0.901 199 HA3 GLY 39 2HA GLY 39 9.476 -9.670 -1.896 200 H GLY 40 H GLY 40 10.360 -7.442 0.368 201 HA2 GLY 40 1HA GLY 40 13.089 -7.216 -0.748 202 HA3 GLY 40 2HA GLY 40 12.390 -6.094 0.403 203 H ALA 41 H ALA 41 11.327 -8.698 1.788 204 HA ALA 41 HA ALA 41 13.746 -8.997 3.412 205 HB1 ALA 41 3HB ALA 41 10.881 -9.722 4.028 206 HB2 ALA 41 1HB ALA 41 11.744 -8.297 4.606 207 HB3 ALA 41 2HB ALA 41 12.242 -9.905 5.132 208 H GLN 42 H GLN 42 13.467 -11.399 4.591 209 HA GLN 42 HA GLN 42 14.214 -13.277 2.629 210 HB2 GLN 42 1HB GLN 42 13.193 -13.767 5.435 211 HB3 GLN 42 2HB GLN 42 14.017 -14.954 4.434 212 HG2 GLN 42 1HG GLN 42 15.187 -12.386 5.483 213 HG3 GLN 42 2HG GLN 42 15.523 -14.009 6.078 214 HE21 GLN 42 2HE2 GLN 42 15.551 -15.143 3.372 215 HE22 GLN 42 1HE2 GLN 42 17.042 -14.639 2.659 216 H TYR 43 H TYR 43 13.098 -14.982 1.682 217 HA TYR 43 HA TYR 43 11.349 -16.182 0.860 218 HB2 TYR 43 1HB TYR 43 10.446 -16.443 3.088 219 HB3 TYR 43 2HB TYR 43 9.769 -14.824 3.054 220 HD1 TYR 43 HD2 TYR 43 9.515 -18.145 1.371 221 HD2 TYR 43 HD1 TYR 43 7.572 -14.501 2.393 222 HE1 TYR 43 HE2 TYR 43 7.379 -19.058 0.555 223 HE2 TYR 43 HE1 TYR 43 5.437 -15.403 1.582 224 HH TYR 43 HH TYR 43 4.586 -17.075 0.124 225 H CYS 44 H CYS 44 11.792 -13.008 0.801 226 HA CYS 44 HA CYS 44 11.301 -11.265 -0.485 227 HB2 CYS 44 1HB CYS 44 10.885 -11.689 -2.871 228 HB3 CYS 44 2HB CYS 44 12.208 -12.656 -2.243 229 HG CYS 44 HG CYS 44 9.807 -14.656 -1.898 230 HA PRO 45 HA PRO 45 6.831 -11.829 0.394 231 HB2 PRO 45 1HB PRO 45 6.974 -9.996 2.597 232 HB3 PRO 45 2HB PRO 45 6.667 -11.732 2.645 233 HG2 PRO 45 1HG PRO 45 8.944 -10.495 3.606 234 HG3 PRO 45 2HG PRO 45 8.828 -12.205 3.169 235 HD2 PRO 45 1HD PRO 45 9.980 -9.930 1.628 236 HD3 PRO 45 2HD PRO 45 10.514 -11.622 1.719 237 H CYS 46 H CYS 46 8.021 -8.695 1.519 238 HA CYS 46 HA CYS 46 7.360 -7.151 -0.730 239 HB2 CYS 46 1HB CYS 46 5.059 -7.649 -0.335 240 HB3 CYS 46 2HB CYS 46 5.230 -7.433 1.398 241 HG CYS 46 HG CYS 46 5.127 -4.766 1.442 242 H LEU 47 H LEU 47 7.874 -4.922 -0.352 243 HA LEU 47 HA LEU 47 7.441 -3.580 1.957 244 HB2 LEU 47 1HB LEU 47 9.717 -3.115 2.873 245 HB3 LEU 47 2HB LEU 47 9.052 -4.690 3.230 246 HG LEU 47 HG LEU 47 10.524 -5.411 1.153 247 HD11 LEU 47 1HD1 LEU 47 11.291 -3.184 0.574 248 HD12 LEU 47 2HD1 LEU 47 12.643 -4.173 1.124 249 HD13 LEU 47 3HD1 LEU 47 11.940 -2.966 2.199 250 HD21 LEU 47 3HD2 LEU 47 12.316 -5.951 2.742 251 HD22 LEU 47 1HD2 LEU 47 10.717 -6.297 3.401 252 HD23 LEU 47 2HD2 LEU 47 11.589 -4.854 3.915 253 H TYR 48 H TYR 48 9.894 -3.658 -0.665 254 HA TYR 48 HA TYR 48 9.991 -0.775 -0.552 255 HB2 TYR 48 1HB TYR 48 11.514 -1.011 -2.587 256 HB3 TYR 48 2HB TYR 48 12.092 -1.668 -1.066 257 HD1 TYR 48 HD2 TYR 48 10.343 -2.735 -4.197 258 HD2 TYR 48 HD1 TYR 48 12.974 -3.797 -1.034 259 HE1 TYR 48 HE2 TYR 48 10.794 -4.881 -5.300 260 HE2 TYR 48 HE1 TYR 48 13.441 -5.939 -2.136 261 HH TYR 48 HH TYR 48 12.355 -7.450 -3.737 262 H ILE 49 H ILE 49 8.524 0.481 -1.420 263 HA ILE 49 HA ILE 49 6.759 -0.506 -3.452 264 HB ILE 49 HB ILE 49 5.990 1.071 -1.704 265 HG12 ILE 49 1HG1 ILE 49 5.046 0.890 -4.175 266 HG13 ILE 49 2HG1 ILE 49 4.402 2.062 -3.030 267 HG21 ILE 49 1HG2 ILE 49 7.950 2.481 -1.557 268 HG22 ILE 49 2HG2 ILE 49 6.510 3.446 -1.886 269 HG23 ILE 49 3HG2 ILE 49 7.645 3.086 -3.186 270 HD11 ILE 49 3HD1 ILE 49 6.381 2.573 -5.235 271 HD12 ILE 49 1HD1 ILE 49 5.926 3.760 -4.009 272 HD13 ILE 49 2HD1 ILE 49 4.713 3.139 -5.134 273 H VAL 50 H VAL 50 7.124 -0.538 -5.509 274 HA VAL 50 HA VAL 50 9.615 0.558 -6.503 275 HB VAL 50 HB VAL 50 7.616 -1.253 -7.873 276 HG11 VAL 50 1HG1 VAL 50 9.079 -0.087 -9.442 277 HG12 VAL 50 2HG1 VAL 50 9.452 -1.810 -9.381 278 HG13 VAL 50 3HG1 VAL 50 10.492 -0.653 -8.551 279 HG21 VAL 50 3HG2 VAL 50 10.143 -1.957 -6.383 280 HG22 VAL 50 1HG2 VAL 50 9.133 -3.083 -7.288 281 HG23 VAL 50 2HG2 VAL 50 8.495 -2.287 -5.849 282 H GLN 51 H GLN 51 6.163 1.161 -6.840 283 HA GLN 51 HA GLN 51 6.672 3.384 -8.575 284 HB2 GLN 51 1HB GLN 51 6.510 2.293 -10.523 285 HB3 GLN 51 2HB GLN 51 6.034 0.804 -9.722 286 HG2 GLN 51 1HG GLN 51 3.725 1.536 -9.689 287 HG3 GLN 51 2HG GLN 51 4.181 3.057 -10.456 288 HE21 GLN 51 2HE2 GLN 51 2.370 0.930 -11.333 289 HE22 GLN 51 1HE2 GLN 51 2.943 0.453 -12.888 290 H VAL 52 H VAL 52 5.057 4.838 -8.576 291 HA VAL 52 HA VAL 52 2.397 4.025 -7.677 292 HB VAL 52 HB VAL 52 3.720 5.013 -5.728 293 HG11 VAL 52 1HG1 VAL 52 3.693 7.541 -5.707 294 HG12 VAL 52 2HG1 VAL 52 3.465 7.453 -7.455 295 HG13 VAL 52 3HG1 VAL 52 4.926 6.776 -6.722 296 HG21 VAL 52 3HG2 VAL 52 1.188 6.403 -6.552 297 HG22 VAL 52 1HG2 VAL 52 1.825 6.299 -4.913 298 HG23 VAL 52 2HG2 VAL 52 1.285 4.841 -5.745 299 H PHE 53 H PHE 53 0.768 5.671 -8.251 300 HA PHE 53 HA PHE 53 1.542 6.991 -10.745 301 HB2 PHE 53 1HB PHE 53 -1.215 6.400 -9.649 302 HB3 PHE 53 2HB PHE 53 -0.855 7.062 -11.240 303 HD1 PHE 53 HD1 PHE 53 0.574 5.652 -12.816 304 HD2 PHE 53 HD2 PHE 53 -1.287 4.092 -9.325 305 HE1 PHE 53 HE1 PHE 53 0.796 3.374 -13.716 306 HE2 PHE 53 HE2 PHE 53 -1.074 1.813 -10.221 307 HZ PHE 53 HZ PHE 53 -0.027 1.453 -12.419 308 H ASP 54 H ASP 54 -1.116 8.653 -10.159 309 HA ASP 54 HA ASP 54 0.030 10.460 -8.144 310 HB2 ASP 54 1HB ASP 54 0.587 11.117 -10.575 311 HB3 ASP 54 2HB ASP 54 -1.108 11.583 -10.682 312 H ASN 55 H ASN 55 -2.790 9.366 -9.861 313 HA ASN 55 HA ASN 55 -4.518 11.139 -8.319 314 HB2 ASN 55 1HB ASN 55 -5.092 9.503 -10.802 315 HB3 ASN 55 2HB ASN 55 -6.270 10.493 -9.958 316 HD21 ASN 55 2HD2 ASN 55 -4.536 12.665 -9.378 317 HD22 ASN 55 1HD2 ASN 55 -4.236 13.475 -10.867 318 H THR 56 H THR 56 -3.232 8.174 -8.057 319 HA THR 56 HA THR 56 -5.616 6.773 -7.202 320 HB THR 56 HB THR 56 -4.114 4.936 -6.660 321 HG1 THR 56 HG1 THR 56 -1.956 5.194 -6.531 322 HG21 THR 56 3HG2 THR 56 -3.120 4.543 -8.852 323 HG22 THR 56 1HG2 THR 56 -3.316 6.244 -9.253 324 HG23 THR 56 2HG2 THR 56 -4.736 5.226 -9.009 325 HA PRO 57 HA PRO 57 -5.697 8.297 -3.127 326 HB2 PRO 57 1HB PRO 57 -5.722 5.915 -1.621 327 HB3 PRO 57 2HB PRO 57 -7.132 6.782 -2.214 328 HG2 PRO 57 1HG PRO 57 -5.808 4.370 -3.306 329 HG3 PRO 57 2HG PRO 57 -7.503 4.855 -3.386 330 HD2 PRO 57 1HD PRO 57 -5.825 5.013 -5.503 331 HD3 PRO 57 2HD PRO 57 -7.182 6.130 -5.263 332 H ALA 58 H ALA 58 -3.618 5.498 -3.531 333 HA ALA 58 HA ALA 58 -1.777 5.908 -1.486 334 HB1 ALA 58 3HB ALA 58 -0.262 4.559 -2.824 335 HB2 ALA 58 1HB ALA 58 -1.296 4.797 -4.234 336 HB3 ALA 58 2HB ALA 58 -1.893 3.896 -2.841 337 H ALA 59 H ALA 59 -1.690 7.073 -4.859 338 HA ALA 59 HA ALA 59 0.806 8.424 -4.486 339 HB1 ALA 59 3HB ALA 59 -0.219 7.599 -6.656 340 HB2 ALA 59 1HB ALA 59 0.515 9.203 -6.676 341 HB3 ALA 59 2HB ALA 59 -1.237 9.035 -6.593 342 H LEU 60 H LEU 60 -2.530 9.531 -4.910 343 HA LEU 60 HA LEU 60 -2.025 12.230 -4.790 344 HB2 LEU 60 1HB LEU 60 -4.248 12.591 -4.699 345 HB3 LEU 60 2HB LEU 60 -4.031 11.150 -5.643 346 HG LEU 60 HG LEU 60 -4.660 10.128 -3.215 347 HD11 LEU 60 1HD1 LEU 60 -4.940 12.613 -2.610 348 HD12 LEU 60 2HD1 LEU 60 -6.219 11.482 -2.136 349 HD13 LEU 60 3HD1 LEU 60 -6.431 12.518 -3.552 350 HD21 LEU 60 3HD2 LEU 60 -6.533 11.070 -5.375 351 HD22 LEU 60 1HD2 LEU 60 -6.869 9.805 -4.192 352 HD23 LEU 60 2HD2 LEU 60 -5.606 9.572 -5.405 353 H ASP 61 H ASP 61 -3.792 10.786 -2.098 354 HA ASP 61 HA ASP 61 -2.706 12.875 -0.360 355 HB2 ASP 61 1HB ASP 61 -5.157 12.489 -0.387 356 HB3 ASP 61 2HB ASP 61 -4.893 10.832 0.140 357 H GLY 62 H GLY 62 -2.176 9.842 -1.362 358 HA2 GLY 62 1HA GLY 62 -1.821 8.390 1.060 359 HA3 GLY 62 2HA GLY 62 -1.198 7.918 -0.508 360 H THR 63 H THR 63 0.600 9.793 -1.071 361 HA THR 63 HA THR 63 2.795 10.235 -0.867 362 HB THR 63 HB THR 63 3.612 11.253 1.176 363 HG1 THR 63 HG1 THR 63 1.470 9.887 2.312 364 HG21 THR 63 3HG2 THR 63 0.803 11.968 0.403 365 HG22 THR 63 1HG2 THR 63 2.293 12.581 -0.306 366 HG23 THR 63 2HG2 THR 63 1.864 13.017 1.351 367 H VAL 64 H VAL 64 2.070 7.719 -0.926 368 HA VAL 64 HA VAL 64 4.234 6.376 0.568 369 HB VAL 64 HB VAL 64 3.003 4.245 0.195 370 HG11 VAL 64 1HG1 VAL 64 1.323 6.308 1.609 371 HG12 VAL 64 2HG1 VAL 64 2.767 5.553 2.291 372 HG13 VAL 64 3HG1 VAL 64 1.356 4.567 1.907 373 HG21 VAL 64 3HG2 VAL 64 0.713 4.259 -0.552 374 HG22 VAL 64 1HG2 VAL 64 1.726 5.028 -1.777 375 HG23 VAL 64 2HG2 VAL 64 0.738 6.018 -0.701 376 H ALA 65 H ALA 65 4.971 7.758 -1.503 377 HA ALA 65 HA ALA 65 4.590 6.409 -4.018 378 HB1 ALA 65 3HB ALA 65 4.540 8.860 -3.864 379 HB2 ALA 65 1HB ALA 65 5.784 8.290 -4.977 380 HB3 ALA 65 2HB ALA 65 6.232 8.852 -3.366 381 H ALA 66 H ALA 66 6.630 6.359 -5.451 382 HA ALA 66 HA ALA 66 8.114 4.172 -4.754 383 HB1 ALA 66 3HB ALA 66 7.808 5.199 -7.027 384 HB2 ALA 66 1HB ALA 66 9.433 4.598 -6.678 385 HB3 ALA 66 2HB ALA 66 9.096 6.326 -6.603 386 H GLY 67 H GLY 67 9.394 3.949 -3.039 387 HA2 GLY 67 1HA GLY 67 11.798 4.670 -2.472 388 HA3 GLY 67 2HA GLY 67 11.046 6.235 -2.208 389 H ASP 68 H ASP 68 8.605 4.593 -1.180 390 HA ASP 68 HA ASP 68 9.581 4.555 1.564 391 HB2 ASP 68 1HB ASP 68 6.817 4.458 0.367 392 HB3 ASP 68 2HB ASP 68 7.107 4.185 2.077 393 H GLU 69 H GLU 69 9.061 2.797 3.012 394 HA GLU 69 HA GLU 69 9.164 0.183 1.641 395 HB2 GLU 69 1HB GLU 69 10.261 0.881 4.371 396 HB3 GLU 69 2HB GLU 69 10.499 -0.619 3.490 397 HG2 GLU 69 1HG GLU 69 11.445 1.980 2.358 398 HG3 GLU 69 2HG GLU 69 12.395 1.122 3.566 399 H ILE 70 H ILE 70 7.039 -0.461 1.723 400 HA ILE 70 HA ILE 70 5.363 -0.001 4.002 401 HB ILE 70 HB ILE 70 4.968 -1.699 1.534 402 HG12 ILE 70 1HG1 ILE 70 3.117 0.017 1.160 403 HG13 ILE 70 2HG1 ILE 70 3.843 0.947 2.464 404 HG21 ILE 70 1HG2 ILE 70 3.010 -1.227 3.782 405 HG22 ILE 70 2HG2 ILE 70 3.781 -2.761 3.370 406 HG23 ILE 70 3HG2 ILE 70 2.644 -2.015 2.247 407 HD11 ILE 70 3HD1 ILE 70 4.528 1.757 0.276 408 HD12 ILE 70 1HD1 ILE 70 5.200 0.173 -0.104 409 HD13 ILE 70 2HD1 ILE 70 5.904 1.141 1.191 410 H THR 71 H THR 71 5.488 -1.069 5.832 411 HA THR 71 HA THR 71 6.821 -3.669 5.867 412 HB THR 71 HB THR 71 7.807 -2.070 7.365 413 HG1 THR 71 HG1 THR 71 6.567 -4.333 8.297 414 HG21 THR 71 3HG2 THR 71 5.064 -1.772 8.593 415 HG22 THR 71 1HG2 THR 71 5.923 -0.555 7.649 416 HG23 THR 71 2HG2 THR 71 6.550 -1.058 9.218 417 H GLY 72 H GLY 72 3.672 -2.365 6.031 418 HA2 GLY 72 1HA GLY 72 2.647 -5.015 6.536 419 HA3 GLY 72 2HA GLY 72 2.295 -3.872 7.824 420 H VAL 73 H VAL 73 0.636 -5.380 5.949 421 HA VAL 73 HA VAL 73 -0.722 -3.259 4.453 422 HB VAL 73 HB VAL 73 -1.876 -4.966 3.269 423 HG11 VAL 73 1HG1 VAL 73 0.369 -4.682 2.503 424 HG12 VAL 73 2HG1 VAL 73 -0.090 -6.384 2.396 425 HG13 VAL 73 3HG1 VAL 73 0.952 -5.830 3.710 426 HG21 VAL 73 3HG2 VAL 73 -2.364 -6.412 5.220 427 HG22 VAL 73 1HG2 VAL 73 -0.709 -7.029 5.135 428 HG23 VAL 73 2HG2 VAL 73 -1.830 -7.315 3.800 429 H ASN 74 H ASN 74 -2.685 -2.534 5.111 430 HA ASN 74 HA ASN 74 -4.724 -2.485 6.101 431 HB2 ASN 74 1HB ASN 74 -4.936 -4.427 4.609 432 HB3 ASN 74 2HB ASN 74 -4.373 -5.487 5.891 433 HD21 ASN 74 2HD2 ASN 74 -6.318 -6.669 5.634 434 HD22 ASN 74 1HD2 ASN 74 -7.813 -6.093 6.280 435 H GLY 75 H GLY 75 -2.317 -2.544 7.802 436 HA2 GLY 75 1HA GLY 75 -2.399 -1.953 10.105 437 HA3 GLY 75 2HA GLY 75 -3.723 -3.082 10.316 438 H ARG 76 H ARG 76 -1.782 -4.982 8.595 439 HA ARG 76 HA ARG 76 -0.269 -5.833 10.955 440 HB2 ARG 76 1HB ARG 76 -0.836 -8.141 10.285 441 HB3 ARG 76 2HB ARG 76 -2.220 -7.193 10.781 442 HG2 ARG 76 1HG ARG 76 -2.567 -6.750 8.302 443 HG3 ARG 76 2HG ARG 76 -1.435 -8.077 8.034 444 HD2 ARG 76 1HD ARG 76 -3.663 -8.963 7.970 445 HD3 ARG 76 2HD ARG 76 -2.885 -9.516 9.451 446 HE ARG 76 HE ARG 76 -4.362 -7.114 9.869 447 HH11 ARG 76 1HH1 ARG 76 -4.680 -10.592 9.581 448 HH12 ARG 76 2HH1 ARG 76 -6.179 -10.651 10.449 449 HH21 ARG 76 1HH2 ARG 76 -6.327 -7.193 11.018 450 HH22 ARG 76 2HH2 ARG 76 -7.114 -8.717 11.272 451 H SER 77 H SER 77 1.663 -6.984 10.579 452 HA SER 77 HA SER 77 3.286 -5.972 8.545 453 HB2 SER 77 1HB SER 77 3.702 -8.495 10.167 454 HB3 SER 77 2HB SER 77 4.953 -7.593 9.314 455 HG SER 77 HG SER 77 3.540 -5.973 10.968 456 H ILE 78 H ILE 78 4.279 -6.984 6.713 457 HA ILE 78 HA ILE 78 2.291 -8.495 5.229 458 HB ILE 78 HB ILE 78 3.476 -7.964 3.280 459 HG12 ILE 78 1HG1 ILE 78 5.739 -8.596 4.098 460 HG13 ILE 78 2HG1 ILE 78 5.722 -7.114 3.169 461 HG21 ILE 78 1HG2 ILE 78 3.383 -5.656 3.255 462 HG22 ILE 78 2HG2 ILE 78 4.097 -5.512 4.860 463 HG23 ILE 78 3HG2 ILE 78 2.429 -6.047 4.688 464 HD11 ILE 78 3HD1 ILE 78 5.842 -5.819 5.245 465 HD12 ILE 78 1HD1 ILE 78 7.216 -6.906 5.038 466 HD13 ILE 78 2HD1 ILE 78 5.918 -7.329 6.153 467 H LYS 79 H LYS 79 5.121 -9.088 6.966 468 HA LYS 79 HA LYS 79 6.383 -10.995 5.307 469 HB2 LYS 79 1HB LYS 79 7.603 -9.698 6.947 470 HB3 LYS 79 2HB LYS 79 6.666 -10.405 8.253 471 HG2 LYS 79 1HG LYS 79 7.644 -12.587 7.795 472 HG3 LYS 79 2HG LYS 79 8.535 -11.916 6.429 473 HD2 LYS 79 1HD LYS 79 8.846 -10.964 9.268 474 HD3 LYS 79 2HD LYS 79 9.870 -12.192 8.529 475 HE2 LYS 79 1HE LYS 79 10.526 -10.567 6.798 476 HE3 LYS 79 2HE LYS 79 9.540 -9.342 7.595 477 HZ1 LYS 79 3HZ LYS 79 10.934 -9.526 9.547 478 HZ2 LYS 79 1HZ LYS 79 11.878 -9.159 8.193 479 HZ3 LYS 79 2HZ LYS 79 11.866 -10.730 8.811 480 H GLY 80 H GLY 80 3.593 -11.197 7.124 481 HA2 GLY 80 1HA GLY 80 3.708 -13.885 8.000 482 HA3 GLY 80 2HA GLY 80 2.246 -12.953 7.716 483 H LYS 81 H LYS 81 3.106 -12.427 4.855 484 HA LYS 81 HA LYS 81 2.781 -15.133 3.789 485 HB2 LYS 81 1HB LYS 81 0.880 -14.530 2.405 486 HB3 LYS 81 2HB LYS 81 0.507 -14.309 4.103 487 HG2 LYS 81 1HG LYS 81 1.253 -12.087 2.216 488 HG3 LYS 81 2HG LYS 81 -0.396 -12.544 2.622 489 HD2 LYS 81 1HD LYS 81 1.696 -11.488 4.519 490 HD3 LYS 81 2HD LYS 81 0.300 -10.633 3.915 491 HE2 LYS 81 1HE LYS 81 0.281 -13.048 5.707 492 HE3 LYS 81 2HE LYS 81 -0.147 -11.400 6.154 493 HZ1 LYS 81 3HZ LYS 81 -2.104 -12.745 5.788 494 HZ2 LYS 81 1HZ LYS 81 -1.609 -13.100 4.208 495 HZ3 LYS 81 2HZ LYS 81 -2.018 -11.511 4.634 496 H THR 82 H THR 82 1.930 -13.438 1.220 497 HA THR 82 HA THR 82 4.720 -13.067 0.358 498 HB THR 82 HB THR 82 2.809 -14.429 -1.492 499 HG1 THR 82 HG1 THR 82 2.577 -15.771 0.254 500 HG21 THR 82 3HG2 THR 82 5.780 -14.681 -0.997 501 HG22 THR 82 1HG2 THR 82 5.019 -13.758 -2.293 502 HG23 THR 82 2HG2 THR 82 4.877 -15.516 -2.260 503 H LYS 83 H LYS 83 4.921 -11.923 -1.705 504 HA LYS 83 HA LYS 83 3.720 -9.489 -1.827 505 HB2 LYS 83 1HB LYS 83 4.304 -9.916 -4.462 506 HB3 LYS 83 2HB LYS 83 5.469 -9.444 -3.238 507 HG2 LYS 83 1HG LYS 83 6.308 -11.583 -3.025 508 HG3 LYS 83 2HG LYS 83 4.877 -12.317 -3.752 509 HD2 LYS 83 1HD LYS 83 5.479 -11.433 -5.915 510 HD3 LYS 83 2HD LYS 83 6.846 -10.562 -5.210 511 HE2 LYS 83 1HE LYS 83 8.002 -12.531 -4.742 512 HE3 LYS 83 2HE LYS 83 6.563 -13.525 -4.947 513 HZ1 LYS 83 3HZ LYS 83 7.887 -12.036 -7.140 514 HZ2 LYS 83 1HZ LYS 83 6.603 -13.125 -7.285 515 HZ3 LYS 83 2HZ LYS 83 8.133 -13.678 -6.821 516 H VAL 84 H VAL 84 2.785 -12.264 -3.861 517 HA VAL 84 HA VAL 84 0.739 -11.006 -5.218 518 HB VAL 84 HB VAL 84 1.671 -13.053 -6.026 519 HG11 VAL 84 1HG1 VAL 84 0.585 -14.374 -3.545 520 HG12 VAL 84 2HG1 VAL 84 2.283 -14.044 -3.877 521 HG13 VAL 84 3HG1 VAL 84 1.396 -15.189 -4.883 522 HG21 VAL 84 3HG2 VAL 84 -1.154 -13.503 -5.142 523 HG22 VAL 84 1HG2 VAL 84 -0.328 -14.374 -6.431 524 HG23 VAL 84 2HG2 VAL 84 -0.639 -12.645 -6.592 525 H GLU 85 H GLU 85 0.761 -12.593 -2.097 526 HA GLU 85 HA GLU 85 -2.095 -12.594 -1.825 527 HB2 GLU 85 1HB GLU 85 -0.009 -13.011 0.313 528 HB3 GLU 85 2HB GLU 85 -1.701 -13.486 0.376 529 HG2 GLU 85 1HG GLU 85 -1.306 -15.048 -1.476 530 HG3 GLU 85 2HG GLU 85 0.398 -14.600 -1.465 531 H VAL 86 H VAL 86 0.584 -10.617 -0.630 532 HA VAL 86 HA VAL 86 -0.909 -9.170 1.273 533 HB VAL 86 HB VAL 86 0.906 -7.493 1.184 534 HG11 VAL 86 1HG1 VAL 86 1.794 -10.368 1.278 535 HG12 VAL 86 2HG1 VAL 86 1.173 -9.417 2.631 536 HG13 VAL 86 3HG1 VAL 86 2.723 -9.009 1.898 537 HG21 VAL 86 3HG2 VAL 86 2.015 -9.244 -0.971 538 HG22 VAL 86 1HG2 VAL 86 2.866 -7.913 -0.185 539 HG23 VAL 86 2HG2 VAL 86 1.432 -7.589 -1.162 540 H ALA 87 H ALA 87 -0.152 -8.459 -2.117 541 HA ALA 87 HA ALA 87 -1.524 -6.042 -2.396 542 HB1 ALA 87 3HB ALA 87 -1.347 -8.299 -4.382 543 HB2 ALA 87 1HB ALA 87 -0.210 -6.960 -4.204 544 HB3 ALA 87 2HB ALA 87 -1.865 -6.647 -4.737 545 H LYS 88 H LYS 88 -2.788 -9.377 -2.571 546 HA LYS 88 HA LYS 88 -5.455 -8.641 -3.141 547 HB2 LYS 88 1HB LYS 88 -4.770 -10.935 -3.442 548 HB3 LYS 88 2HB LYS 88 -4.403 -11.087 -1.725 549 HG2 LYS 88 1HG LYS 88 -6.666 -10.893 -1.134 550 HG3 LYS 88 2HG LYS 88 -7.137 -10.400 -2.757 551 HD2 LYS 88 1HD LYS 88 -6.347 -12.621 -3.568 552 HD3 LYS 88 2HD LYS 88 -6.135 -13.107 -1.884 553 HE2 LYS 88 1HE LYS 88 -8.713 -12.282 -3.220 554 HE3 LYS 88 2HE LYS 88 -8.267 -13.909 -2.713 555 HZ1 LYS 88 3HZ LYS 88 -8.769 -11.576 -0.948 556 HZ2 LYS 88 1HZ LYS 88 -8.198 -13.075 -0.407 557 HZ3 LYS 88 2HZ LYS 88 -9.730 -12.954 -1.105 558 H MET 89 H MET 89 -3.757 -9.248 -0.109 559 HA MET 89 HA MET 89 -5.742 -8.909 1.736 560 HB2 MET 89 1HB MET 89 -2.903 -8.004 1.758 561 HB3 MET 89 2HB MET 89 -3.930 -7.969 3.187 562 HG2 MET 89 1HG MET 89 -3.246 -10.382 1.525 563 HG3 MET 89 2HG MET 89 -2.621 -9.984 3.113 564 HE1 MET 89 3HE MET 89 -4.168 -12.715 2.038 565 HE2 MET 89 1HE MET 89 -5.042 -13.135 3.510 566 HE3 MET 89 2HE MET 89 -3.366 -12.601 3.605 567 H ILE 90 H ILE 90 -4.137 -6.540 -0.202 568 HA ILE 90 HA ILE 90 -5.504 -4.301 1.037 569 HB ILE 90 HB ILE 90 -3.461 -4.510 -1.171 570 HG12 ILE 90 1HG1 ILE 90 -3.289 -3.372 1.626 571 HG13 ILE 90 2HG1 ILE 90 -2.712 -4.965 1.151 572 HG21 ILE 90 1HG2 ILE 90 -3.462 -2.243 -1.497 573 HG22 ILE 90 2HG2 ILE 90 -4.241 -1.907 0.054 574 HG23 ILE 90 3HG2 ILE 90 -5.184 -2.565 -1.285 575 HD11 ILE 90 3HD1 ILE 90 -0.896 -3.361 1.314 576 HD12 ILE 90 1HD1 ILE 90 -1.678 -2.340 0.113 577 HD13 ILE 90 2HD1 ILE 90 -1.089 -3.937 -0.341 578 H GLN 91 H GLN 91 -5.886 -6.420 -1.686 579 HA GLN 91 HA GLN 91 -7.807 -4.718 -3.014 580 HB2 GLN 91 1HB GLN 91 -7.099 -7.618 -3.451 581 HB3 GLN 91 2HB GLN 91 -8.132 -6.661 -4.479 582 HG2 GLN 91 1HG GLN 91 -6.279 -5.222 -5.051 583 HG3 GLN 91 2HG GLN 91 -5.226 -6.127 -3.973 584 HE21 GLN 91 2HE2 GLN 91 -7.000 -6.195 -6.969 585 HE22 GLN 91 1HE2 GLN 91 -6.189 -7.561 -7.649 586 H GLU 92 H GLU 92 -7.905 -6.734 -0.294 587 HA GLU 92 HA GLU 92 -10.363 -8.124 -0.980 588 HB2 GLU 92 1HB GLU 92 -8.641 -9.401 0.083 589 HB3 GLU 92 2HB GLU 92 -8.439 -8.205 1.344 590 HG2 GLU 92 1HG GLU 92 -10.584 -8.744 2.272 591 HG3 GLU 92 2HG GLU 92 -10.906 -9.854 0.947 592 H VAL 93 H VAL 93 -9.058 -5.925 1.319 593 HA VAL 93 HA VAL 93 -11.089 -5.045 2.832 594 HB VAL 93 HB VAL 93 -10.053 -2.647 1.995 595 HG11 VAL 93 1HG1 VAL 93 -10.236 -3.384 4.228 596 HG12 VAL 93 2HG1 VAL 93 -8.553 -2.950 3.908 597 HG13 VAL 93 3HG1 VAL 93 -9.030 -4.654 3.942 598 HG21 VAL 93 3HG2 VAL 93 -7.848 -4.689 1.809 599 HG22 VAL 93 1HG2 VAL 93 -7.704 -2.941 1.634 600 HG23 VAL 93 2HG2 VAL 93 -8.569 -3.879 0.414 601 H LYS 94 H LYS 94 -13.093 -4.500 2.420 602 HA LYS 94 HA LYS 94 -13.835 -3.537 -0.189 603 HB2 LYS 94 1HB LYS 94 -15.540 -3.747 2.296 604 HB3 LYS 94 2HB LYS 94 -16.109 -3.543 0.645 605 HG2 LYS 94 1HG LYS 94 -14.754 -5.960 1.815 606 HG3 LYS 94 2HG LYS 94 -16.434 -5.818 1.306 607 HD2 LYS 94 1HD LYS 94 -14.025 -5.624 -0.504 608 HD3 LYS 94 2HD LYS 94 -15.068 -7.033 -0.333 609 HE2 LYS 94 1HE LYS 94 -16.977 -5.632 -1.098 610 HE3 LYS 94 2HE LYS 94 -15.836 -4.323 -1.403 611 HZ1 LYS 94 3HZ LYS 94 -16.305 -5.570 -3.415 612 HZ2 LYS 94 1HZ LYS 94 -15.776 -7.000 -2.686 613 HZ3 LYS 94 2HZ LYS 94 -14.682 -5.746 -2.979 614 H GLY 95 H GLY 95 -12.423 -1.576 -0.099 615 HA2 GLY 95 1HA GLY 95 -13.450 0.586 -0.621 616 HA3 GLY 95 2HA GLY 95 -14.308 0.459 0.902 617 H GLU 96 H GLU 96 -11.728 -0.548 2.213 618 HA GLU 96 HA GLU 96 -10.488 2.111 2.301 619 HB2 GLU 96 1HB GLU 96 -10.376 2.069 4.656 620 HB3 GLU 96 2HB GLU 96 -12.018 1.598 4.247 621 HG2 GLU 96 1HG GLU 96 -11.565 -0.677 4.638 622 HG3 GLU 96 2HG GLU 96 -9.851 -0.389 4.787 623 H VAL 97 H VAL 97 -8.401 1.927 3.601 624 HA VAL 97 HA VAL 97 -6.895 -0.515 3.358 625 HB VAL 97 HB VAL 97 -5.121 0.286 1.936 626 HG11 VAL 97 1HG1 VAL 97 -6.934 -0.771 0.742 627 HG12 VAL 97 2HG1 VAL 97 -6.220 0.512 -0.236 628 HG13 VAL 97 3HG1 VAL 97 -7.759 0.780 0.585 629 HG21 VAL 97 3HG2 VAL 97 -5.141 2.626 2.530 630 HG22 VAL 97 1HG2 VAL 97 -6.668 2.854 1.677 631 HG23 VAL 97 2HG2 VAL 97 -5.209 2.440 0.777 632 H THR 98 H THR 98 -4.892 -0.407 4.496 633 HA THR 98 HA THR 98 -4.172 2.161 5.686 634 HB THR 98 HB THR 98 -3.541 0.609 7.780 635 HG1 THR 98 HG1 THR 98 -5.902 -0.538 6.661 636 HG21 THR 98 3HG2 THR 98 -5.574 1.430 8.876 637 HG22 THR 98 1HG2 THR 98 -6.263 1.825 7.303 638 HG23 THR 98 2HG2 THR 98 -4.834 2.683 7.880 639 H ILE 99 H ILE 99 -2.149 2.572 5.195 640 HA ILE 99 HA ILE 99 -0.379 0.325 4.517 641 HB ILE 99 HB ILE 99 1.004 2.342 3.496 642 HG12 ILE 99 1HG1 ILE 99 -0.787 3.991 4.276 643 HG13 ILE 99 2HG1 ILE 99 -0.248 4.122 2.611 644 HG21 ILE 99 1HG2 ILE 99 0.286 0.397 2.262 645 HG22 ILE 99 2HG2 ILE 99 0.029 1.867 1.318 646 HG23 ILE 99 3HG2 ILE 99 -1.338 1.071 2.105 647 HD11 ILE 99 3HD1 ILE 99 -2.771 2.746 3.483 648 HD12 ILE 99 1HD1 ILE 99 -2.241 3.025 1.825 649 HD13 ILE 99 2HD1 ILE 99 -2.669 4.389 2.858 650 H HIS 100 H HIS 100 1.019 -0.170 6.018 651 HA HIS 100 HA HIS 100 2.097 1.939 7.761 652 HB2 HIS 100 1HB HIS 100 2.038 -1.076 7.987 653 HB3 HIS 100 2HB HIS 100 3.025 -0.073 9.040 654 HD1 HIS 100 HD1 HIS 100 1.898 -0.083 11.235 655 HD2 HIS 100 HD2 HIS 100 -0.823 0.345 8.125 656 HE1 HIS 100 HE1 HIS 100 -0.340 0.215 12.335 657 HE2 HIS 100 HE2 HIS 100 -1.938 0.659 10.441 658 H TYR 101 H TYR 101 4.139 2.680 7.348 659 HA TYR 101 HA TYR 101 5.974 0.958 5.882 660 HB2 TYR 101 1HB TYR 101 6.365 2.652 4.124 661 HB3 TYR 101 2HB TYR 101 4.731 2.005 4.089 662 HD1 TYR 101 HD2 TYR 101 2.829 3.395 4.785 663 HD2 TYR 101 HD1 TYR 101 6.778 4.967 4.625 664 HE1 TYR 101 HE2 TYR 101 1.917 5.676 4.859 665 HE2 TYR 101 HE1 TYR 101 5.876 7.252 4.700 666 HH TYR 101 HH TYR 101 3.713 8.397 4.106 667 H ASN 102 H ASN 102 8.101 1.802 5.664 668 HA ASN 102 HA ASN 102 8.823 4.081 7.350 669 HB2 ASN 102 1HB ASN 102 9.903 1.272 7.595 670 HB3 ASN 102 2HB ASN 102 10.888 2.660 8.063 671 HD21 ASN 102 2HD2 ASN 102 8.023 0.805 8.782 672 HD22 ASN 102 1HD2 ASN 102 7.787 1.432 10.376 673 H LYS 103 H LYS 103 11.609 3.886 6.916 674 HA LYS 103 HA LYS 103 11.713 3.985 3.984 675 HB2 LYS 103 1HB LYS 103 12.996 5.890 5.946 676 HB3 LYS 103 2HB LYS 103 13.327 5.876 4.220 677 HG2 LYS 103 1HG LYS 103 11.759 7.552 4.425 678 HG3 LYS 103 2HG LYS 103 10.772 6.169 3.963 679 HD2 LYS 103 1HD LYS 103 10.661 5.899 6.616 680 HD3 LYS 103 2HD LYS 103 10.917 7.644 6.528 681 HE2 LYS 103 1HE LYS 103 8.999 7.747 4.916 682 HE3 LYS 103 2HE LYS 103 8.697 6.049 5.264 683 HZ1 LYS 103 3HZ LYS 103 7.289 7.404 6.625 684 HZ2 LYS 103 1HZ LYS 103 8.606 8.288 7.206 685 HZ3 LYS 103 2HZ LYS 103 8.437 6.658 7.621 686 H LEU 104 H LEU 104 13.541 3.340 2.987 687 HA LEU 104 HA LEU 104 15.011 1.701 2.568 688 HB2 LEU 104 1HB LEU 104 17.278 2.135 3.346 689 HB3 LEU 104 2HB LEU 104 16.475 3.547 2.727 690 HG LEU 104 HG LEU 104 17.996 3.976 4.625 691 HD11 LEU 104 1HD1 LEU 104 16.300 5.587 4.169 692 HD12 LEU 104 2HD1 LEU 104 16.501 5.426 5.915 693 HD13 LEU 104 3HD1 LEU 104 15.122 4.675 5.112 694 HD21 LEU 104 3HD2 LEU 104 16.000 2.438 6.262 695 HD22 LEU 104 1HD2 LEU 104 17.317 3.419 6.904 696 HD23 LEU 104 2HD2 LEU 104 17.673 1.986 5.940 697 H GLN 105 H GLN 105 16.807 0.222 3.474 698 HA GLN 105 HA GLN 105 16.389 -0.793 6.141 699 HB2 GLN 105 1HB GLN 105 15.976 -3.103 5.463 700 HB3 GLN 105 2HB GLN 105 14.696 -2.060 4.870 701 HG2 GLN 105 1HG GLN 105 15.587 -2.113 2.653 702 HG3 GLN 105 2HG GLN 105 17.028 -2.964 3.204 703 HE21 GLN 105 2HE2 GLN 105 15.082 -3.726 1.186 704 HE22 GLN 105 1HE2 GLN 105 14.459 -5.261 1.681 705 H ALA 106 H ALA 106 18.404 0.515 4.517 706 HA ALA 106 HA ALA 106 20.703 -1.043 5.064 707 HB1 ALA 106 3HB ALA 106 19.896 -0.817 2.161 708 HB2 ALA 106 1HB ALA 106 19.957 -2.303 3.105 709 HB3 ALA 106 2HB ALA 106 21.443 -1.422 2.748 710 H ASP 107 H ASP 107 22.448 0.075 3.191 711 HA ASP 107 HA ASP 107 22.191 2.948 3.823 712 HB2 ASP 107 1HB ASP 107 24.677 1.250 3.457 713 HB3 ASP 107 2HB ASP 107 24.698 2.999 3.637 714 HA PRO 108 HA PRO 108 21.635 4.342 -0.234 715 HB2 PRO 108 1HB PRO 108 24.499 5.233 -0.179 716 HB3 PRO 108 2HB PRO 108 23.080 6.073 -0.813 717 HG2 PRO 108 1HG PRO 108 24.079 6.625 1.621 718 HG3 PRO 108 2HG PRO 108 22.343 6.694 1.280 719 HD2 PRO 108 1HD PRO 108 23.828 4.795 2.941 720 HD3 PRO 108 2HD PRO 108 22.083 5.099 2.870 721 H LYS 109 H LYS 109 25.064 3.310 -0.226 722 HA LYS 109 HA LYS 109 25.057 2.239 -2.819 723 HB2 LYS 109 1HB LYS 109 27.128 1.075 -2.098 724 HB3 LYS 109 2HB LYS 109 27.133 2.793 -1.730 725 HG2 LYS 109 1HG LYS 109 26.552 2.279 0.596 726 HG3 LYS 109 2HG LYS 109 26.549 0.554 0.213 727 HD2 LYS 109 1HD LYS 109 28.924 2.417 -0.016 728 HD3 LYS 109 2HD LYS 109 28.651 1.257 1.282 729 HE2 LYS 109 1HE LYS 109 28.712 -0.569 -0.369 730 HE3 LYS 109 2HE LYS 109 29.043 0.608 -1.637 731 HZ1 LYS 109 3HZ LYS 109 31.065 -0.452 -0.875 732 HZ2 LYS 109 1HZ LYS 109 30.774 0.064 0.709 733 HZ3 LYS 109 2HZ LYS 109 31.092 1.197 -0.503 734 H GLN 110 H GLN 110 24.565 0.733 0.290 735 HA GLN 110 HA GLN 110 24.440 -1.941 -0.723 736 HB2 GLN 110 1HB GLN 110 24.057 -0.701 1.970 737 HB3 GLN 110 2HB GLN 110 23.830 -2.407 1.685 738 HG2 GLN 110 1HG GLN 110 26.359 -0.844 1.382 739 HG3 GLN 110 2HG GLN 110 25.990 -2.055 2.597 740 HE21 GLN 110 2HE2 GLN 110 28.198 -1.994 0.755 741 HE22 GLN 110 1HE2 GLN 110 28.085 -3.425 -0.209 742 H LEU 111 H LEU 111 22.350 0.602 -0.534 743 HA LEU 111 HA LEU 111 19.951 -0.934 -0.009 744 HB2 LEU 111 1HB LEU 111 20.261 1.281 1.007 745 HB3 LEU 111 2HB LEU 111 20.421 1.996 -0.582 746 HG LEU 111 HG LEU 111 18.197 2.304 0.661 747 HD11 LEU 111 1HD1 LEU 111 16.880 2.156 -1.386 748 HD12 LEU 111 2HD1 LEU 111 18.145 1.181 -2.135 749 HD13 LEU 111 3HD1 LEU 111 18.469 2.856 -1.692 750 HD21 LEU 111 3HD2 LEU 111 17.935 -0.002 1.411 751 HD22 LEU 111 1HD2 LEU 111 17.811 -0.541 -0.265 752 HD23 LEU 111 2HD2 LEU 111 16.568 0.507 0.419 753 H GLU 112 H GLU 112 21.275 1.129 -2.597 754 HA GLU 112 HA GLU 112 19.289 0.453 -4.501 755 HB2 GLU 112 1HB GLU 112 20.843 1.442 -6.151 756 HB3 GLU 112 2HB GLU 112 20.616 2.474 -4.744 757 HG2 GLU 112 1HG GLU 112 22.727 1.907 -3.866 758 HG3 GLU 112 2HG GLU 112 22.916 0.577 -5.009 759 H VAL 113 H VAL 113 22.334 -0.986 -3.576 760 HA VAL 113 HA VAL 113 22.587 -2.758 -5.774 761 HB VAL 113 HB VAL 113 24.374 -2.090 -4.060 762 HG11 VAL 113 1HG1 VAL 113 23.161 -2.684 -2.061 763 HG12 VAL 113 2HG1 VAL 113 24.654 -3.615 -2.178 764 HG13 VAL 113 3HG1 VAL 113 23.109 -4.367 -2.575 765 HG21 VAL 113 3HG2 VAL 113 24.075 -4.970 -4.866 766 HG22 VAL 113 1HG2 VAL 113 25.572 -4.203 -4.338 767 HG23 VAL 113 2HG2 VAL 113 24.793 -3.680 -5.833 768 H LEU 114 H LEU 114 20.934 -2.845 -2.741 769 HA LEU 114 HA LEU 114 20.121 -5.589 -2.878 770 HB2 LEU 114 1HB LEU 114 20.308 -4.202 -0.777 771 HB3 LEU 114 2HB LEU 114 18.898 -3.315 -1.300 772 HG LEU 114 HG LEU 114 18.596 -5.154 0.468 773 HD11 LEU 114 1HD1 LEU 114 16.861 -5.160 -1.995 774 HD12 LEU 114 2HD1 LEU 114 16.719 -4.068 -0.618 775 HD13 LEU 114 3HD1 LEU 114 16.405 -5.792 -0.413 776 HD21 LEU 114 3HD2 LEU 114 18.738 -6.894 -1.988 777 HD22 LEU 114 1HD2 LEU 114 18.267 -7.405 -0.367 778 HD23 LEU 114 2HD2 LEU 114 19.919 -6.867 -0.678 779 H PHE 115 H PHE 115 19.033 -2.530 -4.031 780 HA PHE 115 HA PHE 115 16.350 -3.327 -4.655 781 HB2 PHE 115 1HB PHE 115 17.249 -0.956 -4.239 782 HB3 PHE 115 2HB PHE 115 17.848 -1.037 -5.892 783 HD1 PHE 115 HD1 PHE 115 14.734 -1.379 -3.894 784 HD2 PHE 115 HD2 PHE 115 16.471 -0.411 -7.657 785 HE1 PHE 115 HE1 PHE 115 12.538 -0.628 -4.711 786 HE2 PHE 115 HE2 PHE 115 14.279 0.339 -8.481 787 HZ PHE 115 HZ PHE 115 12.307 0.232 -7.007 788 H GLN 116 H GLN 116 19.260 -4.184 -5.987 789 HA GLN 116 HA GLN 116 18.456 -4.276 -8.754 790 HB2 GLN 116 1HB GLN 116 20.744 -5.582 -7.297 791 HB3 GLN 116 2HB GLN 116 20.506 -5.647 -9.035 792 HG2 GLN 116 1HG GLN 116 20.736 -3.228 -9.171 793 HG3 GLN 116 2HG GLN 116 20.942 -3.144 -7.422 794 HE21 GLN 116 2HE2 GLN 116 22.720 -2.325 -9.597 795 HE22 GLN 116 1HE2 GLN 116 24.208 -3.165 -9.328 796 H GLY 117 H GLY 117 16.425 -5.307 -7.730 797 HA2 GLY 117 1HA GLY 117 16.567 -8.180 -8.293 798 HA3 GLY 117 2HA GLY 117 15.970 -7.707 -6.707 799 HA PRO 118 HA PRO 118 11.867 -6.067 -7.966 800 HB2 PRO 118 1HB PRO 118 13.355 -3.639 -8.882 801 HB3 PRO 118 2HB PRO 118 11.845 -3.755 -7.992 802 HG2 PRO 118 1HG PRO 118 14.314 -3.290 -6.853 803 HG3 PRO 118 2HG PRO 118 12.890 -3.895 -5.991 804 HD2 PRO 118 1HD PRO 118 15.334 -5.266 -6.480 805 HD3 PRO 118 2HD PRO 118 13.861 -5.917 -5.739 806 H GLN 119 H GLN 119 11.113 -7.069 -9.727 807 HA GLN 119 HA GLN 119 10.426 -7.327 -11.867 808 HB2 GLN 119 1HB GLN 119 12.217 -4.979 -12.492 809 HB3 GLN 119 2HB GLN 119 11.049 -5.694 -13.596 810 HG2 GLN 119 1HG GLN 119 9.228 -5.056 -12.151 811 HG3 GLN 119 2HG GLN 119 10.360 -4.445 -10.945 812 HE21 GLN 119 2HE2 GLN 119 8.873 -3.891 -14.022 813 HE22 GLN 119 1HE2 GLN 119 9.363 -2.242 -14.193 814 H PHE 120 H PHE 120 13.709 -7.455 -10.994 815 HA PHE 120 HA PHE 120 14.527 -8.825 -13.425 816 HB2 PHE 120 1HB PHE 120 16.158 -7.357 -12.399 817 HB3 PHE 120 2HB PHE 120 15.997 -8.187 -10.856 818 HD1 PHE 120 HD2 PHE 120 16.698 -9.129 -14.400 819 HD2 PHE 120 HD1 PHE 120 17.755 -9.536 -10.300 820 HE1 PHE 120 HE2 PHE 120 18.535 -10.637 -15.026 821 HE2 PHE 120 HE1 PHE 120 19.595 -11.048 -10.921 822 HZ PHE 120 HZ PHE 120 19.984 -11.599 -13.288 823 H THR 121 H THR 121 14.994 -9.699 -10.008 824 HA THR 121 HA THR 121 14.416 -12.481 -10.592 825 HB THR 121 HB THR 121 14.741 -12.691 -8.050 826 HG1 THR 121 HG1 THR 121 16.019 -10.808 -7.265 827 HG21 THR 121 3HG2 THR 121 17.021 -11.629 -9.725 828 HG22 THR 121 1HG2 THR 121 16.479 -13.306 -9.660 829 HG23 THR 121 2HG2 THR 121 17.183 -12.549 -8.230 830 H LEU 122 H LEU 122 13.016 -9.719 -8.958 831 HA LEU 122 HA LEU 122 10.568 -11.135 -8.325 832 HB2 LEU 122 1HB LEU 122 11.374 -8.234 -8.079 833 HB3 LEU 122 2HB LEU 122 9.764 -8.806 -7.703 834 HG LEU 122 HG LEU 122 10.920 -8.554 -5.648 835 HD11 LEU 122 1HD1 LEU 122 10.879 -10.787 -4.724 836 HD12 LEU 122 2HD1 LEU 122 10.939 -11.481 -6.342 837 HD13 LEU 122 3HD1 LEU 122 9.528 -10.556 -5.832 838 HD21 LEU 122 3HD2 LEU 122 13.200 -8.529 -6.526 839 HD22 LEU 122 1HD2 LEU 122 13.123 -10.272 -6.774 840 HD23 LEU 122 2HD2 LEU 122 13.045 -9.608 -5.142 841 H ARG 123 H ARG 123 10.853 -11.597 -10.847 842 HA ARG 123 HA ARG 123 10.033 -9.637 -12.689 843 HB2 ARG 123 1HB ARG 123 9.559 -11.521 -14.209 844 HB3 ARG 123 2HB ARG 123 11.129 -11.673 -13.434 845 HG2 ARG 123 1HG ARG 123 10.161 -13.274 -11.838 846 HG3 ARG 123 2HG ARG 123 8.616 -13.149 -12.680 847 HD2 ARG 123 1HD ARG 123 11.217 -14.119 -13.860 848 HD3 ARG 123 2HD ARG 123 9.844 -15.126 -13.401 849 HE ARG 123 HE ARG 123 8.888 -13.247 -15.205 850 HH11 ARG 123 1HH1 ARG 123 11.209 -15.867 -15.198 851 HH12 ARG 123 2HH1 ARG 123 11.012 -16.212 -16.886 852 HH21 ARG 123 1HH2 ARG 123 8.618 -13.700 -17.411 853 HH22 ARG 123 2HH2 ARG 123 9.523 -14.986 -18.146 854 H HIS 124 H HIS 124 8.258 -11.825 -10.617 855 HA HIS 124 HA HIS 124 5.744 -10.610 -11.494 856 HB2 HIS 124 1HB HIS 124 6.393 -12.934 -9.692 857 HB3 HIS 124 2HB HIS 124 4.801 -12.185 -9.667 858 HD1 HIS 124 HD1 HIS 124 3.244 -12.647 -11.629 859 HD2 HIS 124 HD2 HIS 124 7.003 -14.361 -12.060 860 HE1 HIS 124 HE1 HIS 124 3.050 -14.224 -13.571 861 HE2 HIS 124 HE2 HIS 124 5.379 -15.106 -13.928 862 H TRP 125 H TRP 125 6.005 -8.545 -10.762 863 HA TRP 125 HA TRP 125 6.853 -8.034 -8.055 864 HB2 TRP 125 1HB TRP 125 6.602 -5.659 -8.659 865 HB3 TRP 125 2HB TRP 125 7.577 -6.528 -9.838 866 HD1 TRP 125 HD1 TRP 125 4.115 -4.904 -9.438 867 HE1 TRP 125 HE1 TRP 125 3.152 -4.444 -11.780 868 HE3 TRP 125 HE3 TRP 125 7.698 -7.225 -12.256 869 HZ2 TRP 125 HZ2 TRP 125 3.828 -4.989 -14.464 870 HZ3 TRP 125 HZ3 TRP 125 7.463 -7.207 -14.705 871 HH2 TRP 125 HH2 TRP 125 5.567 -6.111 -15.783 872 H LEU 126 H LEU 126 5.534 -6.299 -6.872 873 HA LEU 126 HA LEU 126 2.871 -7.402 -6.475 874 HB2 LEU 126 1HB LEU 126 4.401 -7.058 -4.582 875 HB3 LEU 126 2HB LEU 126 4.457 -5.349 -4.930 876 HG LEU 126 HG LEU 126 1.895 -6.701 -4.221 877 HD11 LEU 126 1HD1 LEU 126 2.385 -5.865 -1.885 878 HD12 LEU 126 2HD1 LEU 126 4.067 -5.755 -2.403 879 HD13 LEU 126 3HD1 LEU 126 3.241 -7.309 -2.417 880 HD21 LEU 126 3HD2 LEU 126 1.264 -4.496 -3.405 881 HD22 LEU 126 1HD2 LEU 126 1.719 -4.439 -5.108 882 HD23 LEU 126 2HD2 LEU 126 2.844 -3.873 -3.876 883 H LYS 127 H LYS 127 1.018 -6.178 -6.618 884 HA LYS 127 HA LYS 127 1.178 -3.400 -7.375 885 HB2 LYS 127 1HB LYS 127 -0.153 -3.625 -9.403 886 HB3 LYS 127 2HB LYS 127 1.353 -4.514 -9.555 887 HG2 LYS 127 1HG LYS 127 0.200 -6.602 -9.157 888 HG3 LYS 127 2HG LYS 127 -1.314 -5.740 -8.880 889 HD2 LYS 127 1HD LYS 127 0.247 -5.781 -11.461 890 HD3 LYS 127 2HD LYS 127 -1.215 -6.706 -11.128 891 HE2 LYS 127 1HE LYS 127 -2.449 -4.603 -10.801 892 HE3 LYS 127 2HE LYS 127 -0.987 -3.699 -11.193 893 HZ1 LYS 127 3HZ LYS 127 -0.998 -4.758 -13.386 894 HZ2 LYS 127 1HZ LYS 127 -2.404 -3.859 -13.114 895 HZ3 LYS 127 2HZ LYS 127 -2.445 -5.545 -13.006 896 H VAL 128 H VAL 128 -0.289 -2.377 -6.226 897 HA VAL 128 HA VAL 128 -2.986 -3.203 -6.312 898 HB VAL 128 HB VAL 128 -2.209 -4.614 -4.462 899 HG11 VAL 128 1HG1 VAL 128 -0.479 -3.235 -3.525 900 HG12 VAL 128 2HG1 VAL 128 -1.677 -3.654 -2.303 901 HG13 VAL 128 3HG1 VAL 128 -1.679 -2.044 -3.025 902 HG21 VAL 128 3HG2 VAL 128 -4.020 -4.088 -2.976 903 HG22 VAL 128 1HG2 VAL 128 -4.501 -3.898 -4.659 904 HG23 VAL 128 2HG2 VAL 128 -4.144 -2.474 -3.680 Start of MODEL 14 1 H1 GLY 13 1H GLY 13 14.040 -11.656 11.336 2 H2 GLY 13 2H GLY 13 15.351 -10.627 11.618 3 H3 GLY 13 3H GLY 13 14.452 -10.477 10.196 4 HA2 GLY 13 1HA GLY 13 12.503 -9.821 11.476 5 HA3 GLY 13 2HA GLY 13 13.462 -9.955 12.941 6 H SER 14 H SER 14 12.217 -7.610 12.398 7 HA SER 14 HA SER 14 14.238 -5.818 11.276 8 HB2 SER 14 1HB SER 14 11.417 -5.229 12.216 9 HB3 SER 14 2HB SER 14 12.479 -4.117 11.354 10 HG SER 14 HG SER 14 12.444 -5.591 9.590 11 HA PRO 15 HA PRO 15 15.606 -5.516 15.596 12 HB2 PRO 15 1HB PRO 15 17.517 -3.640 14.313 13 HB3 PRO 15 2HB PRO 15 17.829 -5.009 15.384 14 HG2 PRO 15 1HG PRO 15 18.342 -5.190 12.783 15 HG3 PRO 15 2HG PRO 15 17.651 -6.562 13.669 16 HD2 PRO 15 1HD PRO 15 16.301 -4.611 11.847 17 HD3 PRO 15 2HD PRO 15 16.070 -6.365 11.988 18 H GLY 16 H GLY 16 15.174 -2.735 13.415 19 HA2 GLY 16 1HA GLY 16 13.580 -1.296 15.227 20 HA3 GLY 16 2HA GLY 16 15.238 -0.743 15.401 21 H ILE 17 H ILE 17 12.625 0.383 14.252 22 HA ILE 17 HA ILE 17 13.712 1.210 11.645 23 HB ILE 17 HB ILE 17 11.419 1.659 10.924 24 HG12 ILE 17 1HG1 ILE 17 10.780 0.824 13.739 25 HG13 ILE 17 2HG1 ILE 17 10.237 2.237 12.841 26 HG21 ILE 17 1HG2 ILE 17 10.652 -0.660 10.744 27 HG22 ILE 17 2HG2 ILE 17 11.791 -1.130 12.006 28 HG23 ILE 17 3HG2 ILE 17 12.389 -0.515 10.465 29 HD11 ILE 17 3HD1 ILE 17 9.337 -0.590 12.364 30 HD12 ILE 17 1HD1 ILE 17 8.780 0.841 11.496 31 HD13 ILE 17 2HD1 ILE 17 8.430 0.660 13.216 32 HA PRO 18 HA PRO 18 14.011 5.232 13.259 33 HB2 PRO 18 1HB PRO 18 13.854 6.742 11.020 34 HB3 PRO 18 2HB PRO 18 15.233 5.708 11.387 35 HG2 PRO 18 1HG PRO 18 12.985 5.257 9.491 36 HG3 PRO 18 2HG PRO 18 14.690 4.804 9.348 37 HD2 PRO 18 1HD PRO 18 12.648 3.101 10.072 38 HD3 PRO 18 2HD PRO 18 14.359 2.825 10.417 39 H VAL 19 H VAL 19 11.558 5.534 10.679 40 HA VAL 19 HA VAL 19 9.834 6.916 12.555 41 HB VAL 19 HB VAL 19 9.129 8.031 10.246 42 HG11 VAL 19 1HG1 VAL 19 10.520 9.970 10.896 43 HG12 VAL 19 2HG1 VAL 19 11.386 8.927 12.024 44 HG13 VAL 19 3HG1 VAL 19 9.672 9.256 12.268 45 HG21 VAL 19 3HG2 VAL 19 10.801 6.901 8.930 46 HG22 VAL 19 1HG2 VAL 19 12.070 7.516 9.984 47 HG23 VAL 19 2HG2 VAL 19 11.146 8.631 8.978 48 HA PRO 20 HA PRO 20 7.176 3.621 10.830 49 HB2 PRO 20 1HB PRO 20 5.635 4.032 13.227 50 HB3 PRO 20 2HB PRO 20 6.467 2.579 12.687 51 HG2 PRO 20 1HG PRO 20 7.235 4.135 14.841 52 HG3 PRO 20 2HG PRO 20 8.285 3.004 13.975 53 HD2 PRO 20 1HD PRO 20 8.203 5.960 13.857 54 HD3 PRO 20 2HD PRO 20 9.541 4.848 13.530 55 H GLY 21 H GLY 21 5.932 4.481 9.344 56 HA2 GLY 21 1HA GLY 21 4.157 6.725 10.081 57 HA3 GLY 21 2HA GLY 21 4.931 6.589 8.508 58 H LYS 22 H LYS 22 2.084 6.774 9.200 59 HA LYS 22 HA LYS 22 1.201 4.529 7.599 60 HB2 LYS 22 1HB LYS 22 -0.498 3.755 9.115 61 HB3 LYS 22 2HB LYS 22 1.041 3.715 9.955 62 HG2 LYS 22 1HG LYS 22 -0.992 5.918 10.263 63 HG3 LYS 22 2HG LYS 22 -0.884 4.515 11.322 64 HD2 LYS 22 1HD LYS 22 1.343 6.498 10.871 65 HD3 LYS 22 2HD LYS 22 0.224 6.546 12.231 66 HE2 LYS 22 1HE LYS 22 0.999 4.329 12.930 67 HE3 LYS 22 2HE LYS 22 2.120 4.295 11.570 68 HZ1 LYS 22 3HZ LYS 22 3.253 6.218 12.498 69 HZ2 LYS 22 1HZ LYS 22 3.221 4.947 13.615 70 HZ3 LYS 22 2HZ LYS 22 2.171 6.255 13.797 71 H VAL 23 H VAL 23 -0.409 5.108 6.225 72 HA VAL 23 HA VAL 23 -1.984 7.486 6.950 73 HB VAL 23 HB VAL 23 -0.309 8.274 5.368 74 HG11 VAL 23 1HG1 VAL 23 -1.308 6.121 3.520 75 HG12 VAL 23 2HG1 VAL 23 0.275 6.188 4.292 76 HG13 VAL 23 3HG1 VAL 23 -0.170 7.398 3.085 77 HG21 VAL 23 3HG2 VAL 23 -1.745 9.146 3.599 78 HG22 VAL 23 1HG2 VAL 23 -2.529 9.239 5.178 79 HG23 VAL 23 2HG2 VAL 23 -2.989 7.973 4.038 80 H THR 24 H THR 24 -4.153 7.411 6.272 81 HA THR 24 HA THR 24 -4.931 4.785 5.208 82 HB THR 24 HB THR 24 -5.672 5.089 7.528 83 HG1 THR 24 HG1 THR 24 -7.006 4.027 5.779 84 HG21 THR 24 3HG2 THR 24 -7.471 6.731 8.020 85 HG22 THR 24 1HG2 THR 24 -7.197 7.454 6.436 86 HG23 THR 24 2HG2 THR 24 -5.921 7.480 7.652 87 H LEU 25 H LEU 25 -6.041 4.686 3.423 88 HA LEU 25 HA LEU 25 -7.439 7.053 2.396 89 HB2 LEU 25 1HB LEU 25 -5.666 5.179 0.806 90 HB3 LEU 25 2HB LEU 25 -6.732 6.366 0.098 91 HG LEU 25 HG LEU 25 -4.602 7.306 -0.037 92 HD11 LEU 25 1HD1 LEU 25 -4.653 9.245 1.438 93 HD12 LEU 25 2HD1 LEU 25 -5.873 8.455 2.435 94 HD13 LEU 25 3HD1 LEU 25 -6.244 8.890 0.766 95 HD21 LEU 25 3HD2 LEU 25 -3.122 7.510 1.987 96 HD22 LEU 25 1HD2 LEU 25 -3.314 5.886 1.329 97 HD23 LEU 25 2HD2 LEU 25 -4.193 6.358 2.781 98 H GLN 26 H GLN 26 -8.472 5.922 0.137 99 HA GLN 26 HA GLN 26 -9.733 3.430 0.973 100 HB2 GLN 26 1HB GLN 26 -11.114 5.891 -0.089 101 HB3 GLN 26 2HB GLN 26 -11.853 4.295 -0.116 102 HG2 GLN 26 1HG GLN 26 -11.694 4.158 2.292 103 HG3 GLN 26 2HG GLN 26 -10.896 5.722 2.337 104 HE21 GLN 26 2HE2 GLN 26 -13.365 4.832 3.586 105 HE22 GLN 26 1HE2 GLN 26 -14.607 5.894 3.024 106 H LYS 27 H LYS 27 -10.519 2.214 -0.728 107 HA LYS 27 HA LYS 27 -8.829 1.652 -2.792 108 HB2 LYS 27 1HB LYS 27 -11.792 1.317 -3.108 109 HB3 LYS 27 2HB LYS 27 -10.510 0.251 -3.636 110 HG2 LYS 27 1HG LYS 27 -11.203 0.752 -0.766 111 HG3 LYS 27 2HG LYS 27 -11.784 -0.603 -1.731 112 HD2 LYS 27 1HD LYS 27 -9.749 -1.574 -1.829 113 HD3 LYS 27 2HD LYS 27 -8.864 -0.080 -1.612 114 HE2 LYS 27 1HE LYS 27 -9.514 -0.076 0.720 115 HE3 LYS 27 2HE LYS 27 -10.469 -1.537 0.471 116 HZ1 LYS 27 3HZ LYS 27 -8.196 -1.828 1.462 117 HZ2 LYS 27 1HZ LYS 27 -7.566 -1.446 -0.061 118 HZ3 LYS 27 2HZ LYS 27 -8.552 -2.808 0.126 119 H ASP 28 H ASP 28 -8.615 2.103 -4.851 120 HA ASP 28 HA ASP 28 -9.539 4.597 -5.937 121 HB2 ASP 28 1HB ASP 28 -7.269 3.651 -6.342 122 HB3 ASP 28 2HB ASP 28 -7.999 2.311 -7.210 123 H ALA 29 H ALA 29 -10.327 4.352 -8.444 124 HA ALA 29 HA ALA 29 -12.845 3.090 -8.455 125 HB1 ALA 29 3HB ALA 29 -12.270 4.954 -9.947 126 HB2 ALA 29 1HB ALA 29 -12.887 3.568 -10.844 127 HB3 ALA 29 2HB ALA 29 -11.157 3.903 -10.822 128 H GLN 30 H GLN 30 -9.673 1.929 -9.049 129 HA GLN 30 HA GLN 30 -10.544 -0.540 -10.331 130 HB2 GLN 30 1HB GLN 30 -8.278 1.060 -10.336 131 HB3 GLN 30 2HB GLN 30 -7.793 -0.435 -9.567 132 HG2 GLN 30 1HG GLN 30 -9.287 -0.413 -12.158 133 HG3 GLN 30 2HG GLN 30 -7.541 -0.287 -12.085 134 HE21 GLN 30 2HE2 GLN 30 -6.327 -2.050 -11.444 135 HE22 GLN 30 1HE2 GLN 30 -6.990 -3.645 -11.355 136 H ASN 31 H ASN 31 -10.770 0.585 -7.474 137 HA ASN 31 HA ASN 31 -11.086 -0.112 -5.401 138 HB2 ASN 31 1HB ASN 31 -11.984 -2.198 -5.009 139 HB3 ASN 31 2HB ASN 31 -12.395 -1.864 -6.663 140 HD21 ASN 31 2HD2 ASN 31 -10.464 -3.810 -4.548 141 HD22 ASN 31 1HD2 ASN 31 -10.078 -5.023 -5.712 142 H LEU 32 H LEU 32 -8.325 -0.089 -6.576 143 HA LEU 32 HA LEU 32 -7.010 -1.574 -4.404 144 HB2 LEU 32 1HB LEU 32 -4.946 -1.355 -5.965 145 HB3 LEU 32 2HB LEU 32 -6.127 -2.596 -6.259 146 HG LEU 32 HG LEU 32 -7.161 -1.164 -8.009 147 HD11 LEU 32 1HD1 LEU 32 -5.927 0.725 -8.899 148 HD12 LEU 32 2HD1 LEU 32 -4.710 0.547 -7.634 149 HD13 LEU 32 3HD1 LEU 32 -6.358 1.011 -7.211 150 HD21 LEU 32 3HD2 LEU 32 -4.250 -1.829 -8.387 151 HD22 LEU 32 1HD2 LEU 32 -5.426 -1.571 -9.674 152 HD23 LEU 32 2HD2 LEU 32 -5.605 -2.942 -8.580 153 H ILE 33 H ILE 33 -4.435 -0.220 -4.711 154 HA ILE 33 HA ILE 33 -5.317 2.412 -3.796 155 HB ILE 33 HB ILE 33 -2.612 1.825 -3.037 156 HG12 ILE 33 1HG1 ILE 33 -4.690 -0.130 -2.014 157 HG13 ILE 33 2HG1 ILE 33 -3.442 -0.547 -3.191 158 HG21 ILE 33 1HG2 ILE 33 -5.221 2.311 -1.604 159 HG22 ILE 33 2HG2 ILE 33 -3.967 3.499 -1.983 160 HG23 ILE 33 3HG2 ILE 33 -3.656 2.239 -0.787 161 HD11 ILE 33 3HD1 ILE 33 -1.721 -0.099 -1.559 162 HD12 ILE 33 1HD1 ILE 33 -2.897 -1.223 -0.882 163 HD13 ILE 33 2HD1 ILE 33 -2.920 0.470 -0.397 164 H GLY 34 H GLY 34 -3.355 0.736 -6.090 165 HA2 GLY 34 1HA GLY 34 -2.713 1.766 -8.128 166 HA3 GLY 34 2HA GLY 34 -2.744 3.332 -7.330 167 H ILE 35 H ILE 35 -1.121 0.409 -6.191 168 HA ILE 35 HA ILE 35 1.477 1.710 -6.738 169 HB ILE 35 HB ILE 35 2.311 0.745 -4.583 170 HG12 ILE 35 1HG1 ILE 35 0.280 0.555 -2.880 171 HG13 ILE 35 2HG1 ILE 35 -0.580 0.075 -4.336 172 HG21 ILE 35 1HG2 ILE 35 1.295 2.527 -3.179 173 HG22 ILE 35 2HG2 ILE 35 0.185 2.857 -4.512 174 HG23 ILE 35 3HG2 ILE 35 1.922 3.077 -4.732 175 HD11 ILE 35 3HD1 ILE 35 1.867 -1.254 -3.231 176 HD12 ILE 35 1HD1 ILE 35 0.998 -1.738 -4.690 177 HD13 ILE 35 2HD1 ILE 35 0.211 -1.848 -3.115 178 H SER 36 H SER 36 3.284 0.188 -6.347 179 HA SER 36 HA SER 36 2.658 -2.609 -6.877 180 HB2 SER 36 1HB SER 36 4.449 -0.845 -8.532 181 HB3 SER 36 2HB SER 36 4.661 -2.598 -8.490 182 HG SER 36 HG SER 36 2.253 -2.539 -8.921 183 H ILE 37 H ILE 37 3.758 -3.916 -5.621 184 HA ILE 37 HA ILE 37 6.035 -2.788 -4.129 185 HB ILE 37 HB ILE 37 3.654 -4.259 -3.046 186 HG12 ILE 37 1HG1 ILE 37 5.054 -1.746 -2.124 187 HG13 ILE 37 2HG1 ILE 37 3.655 -1.769 -3.190 188 HG21 ILE 37 1HG2 ILE 37 5.557 -5.422 -2.125 189 HG22 ILE 37 2HG2 ILE 37 4.826 -4.412 -0.877 190 HG23 ILE 37 3HG2 ILE 37 6.312 -3.895 -1.675 191 HD11 ILE 37 3HD1 ILE 37 3.013 -1.283 -0.901 192 HD12 ILE 37 1HD1 ILE 37 3.746 -2.792 -0.361 193 HD13 ILE 37 2HD1 ILE 37 2.337 -2.826 -1.421 194 H GLY 38 H GLY 38 7.792 -3.922 -4.071 195 HA2 GLY 38 1HA GLY 38 7.699 -6.833 -3.985 196 HA3 GLY 38 2HA GLY 38 8.644 -6.096 -5.277 197 H GLY 39 H GLY 39 8.838 -7.325 -2.210 198 HA2 GLY 39 1HA GLY 39 10.590 -5.479 -0.950 199 HA3 GLY 39 2HA GLY 39 10.351 -7.157 -0.491 200 H GLY 40 H GLY 40 12.390 -4.905 -2.103 201 HA2 GLY 40 1HA GLY 40 14.588 -5.131 -2.706 202 HA3 GLY 40 2HA GLY 40 14.512 -6.812 -2.205 203 H ALA 41 H ALA 41 15.958 -6.265 -4.327 204 HA ALA 41 HA ALA 41 14.616 -7.786 -6.389 205 HB1 ALA 41 3HB ALA 41 13.981 -5.499 -7.007 206 HB2 ALA 41 1HB ALA 41 15.068 -6.209 -8.200 207 HB3 ALA 41 2HB ALA 41 15.682 -5.035 -7.036 208 H GLN 42 H GLN 42 17.439 -5.871 -5.510 209 HA GLN 42 HA GLN 42 19.311 -7.497 -6.933 210 HB2 GLN 42 1HB GLN 42 19.767 -5.560 -4.646 211 HB3 GLN 42 2HB GLN 42 21.014 -6.223 -5.688 212 HG2 GLN 42 1HG GLN 42 20.578 -3.992 -6.376 213 HG3 GLN 42 2HG GLN 42 19.937 -5.071 -7.610 214 HE21 GLN 42 2HE2 GLN 42 18.572 -3.467 -8.379 215 HE22 GLN 42 1HE2 GLN 42 17.142 -2.990 -7.533 216 H TYR 43 H TYR 43 18.850 -9.618 -6.246 217 HA TYR 43 HA TYR 43 19.103 -11.507 -4.999 218 HB2 TYR 43 1HB TYR 43 21.226 -10.573 -4.131 219 HB3 TYR 43 2HB TYR 43 20.335 -9.726 -2.875 220 HD1 TYR 43 HD2 TYR 43 20.905 -13.178 -4.178 221 HD2 TYR 43 HD1 TYR 43 20.110 -10.727 -0.794 222 HE1 TYR 43 HE2 TYR 43 21.129 -15.138 -2.712 223 HE2 TYR 43 HE1 TYR 43 20.334 -12.681 0.682 224 HH TYR 43 HH TYR 43 20.141 -15.137 0.530 225 H CYS 44 H CYS 44 17.268 -8.919 -4.383 226 HA CYS 44 HA CYS 44 15.143 -8.685 -3.685 227 HB2 CYS 44 1HB CYS 44 15.306 -11.592 -2.863 228 HB3 CYS 44 2HB CYS 44 13.835 -10.629 -2.973 229 HG CYS 44 HG CYS 44 15.635 -12.084 -5.415 230 HA PRO 45 HA PRO 45 16.888 -8.405 0.645 231 HB2 PRO 45 1HB PRO 45 17.234 -5.544 0.107 232 HB3 PRO 45 2HB PRO 45 18.404 -6.708 0.735 233 HG2 PRO 45 1HG PRO 45 18.610 -5.674 -1.733 234 HG3 PRO 45 2HG PRO 45 19.078 -7.350 -1.381 235 HD2 PRO 45 1HD PRO 45 16.533 -6.314 -2.589 236 HD3 PRO 45 2HD PRO 45 17.549 -7.676 -3.113 237 H CYS 46 H CYS 46 15.726 -5.205 -0.185 238 HA CYS 46 HA CYS 46 13.041 -5.622 0.755 239 HB2 CYS 46 1HB CYS 46 14.978 -3.964 2.400 240 HB3 CYS 46 2HB CYS 46 13.237 -3.992 2.630 241 HG CYS 46 HG CYS 46 14.429 -7.064 2.754 242 H LEU 47 H LEU 47 11.828 -3.552 0.686 243 HA LEU 47 HA LEU 47 12.492 -1.036 0.431 244 HB2 LEU 47 1HB LEU 47 12.622 -0.371 -1.929 245 HB3 LEU 47 2HB LEU 47 13.985 -1.355 -1.455 246 HG LEU 47 HG LEU 47 12.575 -3.295 -2.540 247 HD11 LEU 47 1HD1 LEU 47 10.582 -1.940 -2.932 248 HD12 LEU 47 2HD1 LEU 47 11.262 -2.566 -4.434 249 HD13 LEU 47 3HD1 LEU 47 11.517 -0.879 -3.990 250 HD21 LEU 47 3HD2 LEU 47 14.766 -2.568 -3.299 251 HD22 LEU 47 1HD2 LEU 47 14.036 -1.205 -4.148 252 HD23 LEU 47 2HD2 LEU 47 13.697 -2.856 -4.672 253 H TYR 48 H TYR 48 10.694 -3.509 -1.178 254 HA TYR 48 HA TYR 48 8.537 -3.929 -1.456 255 HB2 TYR 48 1HB TYR 48 8.206 -1.807 0.654 256 HB3 TYR 48 2HB TYR 48 6.904 -2.852 0.075 257 HD1 TYR 48 HD1 TYR 48 10.174 -2.828 1.794 258 HD2 TYR 48 HD2 TYR 48 6.742 -5.122 0.783 259 HE1 TYR 48 HE1 TYR 48 10.932 -4.605 3.293 260 HE2 TYR 48 HE2 TYR 48 7.485 -6.908 2.300 261 HH TYR 48 HH TYR 48 9.858 -6.500 4.613 262 H ILE 49 H ILE 49 8.012 -0.351 -1.061 263 HA ILE 49 HA ILE 49 6.307 -0.669 -3.364 264 HB ILE 49 HB ILE 49 5.807 0.846 -1.346 265 HG12 ILE 49 1HG1 ILE 49 4.667 0.678 -3.699 266 HG13 ILE 49 2HG1 ILE 49 4.230 1.981 -2.603 267 HG21 ILE 49 1HG2 ILE 49 7.874 2.129 -1.360 268 HG22 ILE 49 2HG2 ILE 49 6.473 3.178 -1.579 269 HG23 ILE 49 3HG2 ILE 49 7.479 2.749 -2.965 270 HD11 ILE 49 3HD1 ILE 49 5.826 3.448 -3.818 271 HD12 ILE 49 1HD1 ILE 49 4.494 2.858 -4.816 272 HD13 ILE 49 2HD1 ILE 49 6.094 2.131 -4.963 273 H VAL 50 H VAL 50 6.880 -0.558 -5.352 274 HA VAL 50 HA VAL 50 9.505 0.566 -6.033 275 HB VAL 50 HB VAL 50 7.793 -1.296 -7.690 276 HG11 VAL 50 1HG1 VAL 50 10.710 -0.558 -7.891 277 HG12 VAL 50 2HG1 VAL 50 9.425 -0.049 -8.986 278 HG13 VAL 50 3HG1 VAL 50 9.881 -1.750 -8.893 279 HG21 VAL 50 3HG2 VAL 50 9.240 -3.109 -6.945 280 HG22 VAL 50 1HG2 VAL 50 8.394 -2.375 -5.583 281 HG23 VAL 50 2HG2 VAL 50 10.092 -1.999 -5.873 282 H GLN 51 H GLN 51 6.087 0.922 -6.667 283 HA GLN 51 HA GLN 51 6.614 3.076 -8.520 284 HB2 GLN 51 1HB GLN 51 6.495 1.711 -10.312 285 HB3 GLN 51 2HB GLN 51 5.803 0.392 -9.379 286 HG2 GLN 51 1HG GLN 51 3.618 1.500 -9.495 287 HG3 GLN 51 2HG GLN 51 4.324 2.750 -10.516 288 HE21 GLN 51 2HE2 GLN 51 2.178 0.847 -11.045 289 HE22 GLN 51 1HE2 GLN 51 2.655 -0.028 -12.450 290 H VAL 52 H VAL 52 5.062 4.570 -8.493 291 HA VAL 52 HA VAL 52 2.379 3.859 -7.586 292 HB VAL 52 HB VAL 52 3.762 4.831 -5.665 293 HG11 VAL 52 1HG1 VAL 52 3.771 7.363 -5.671 294 HG12 VAL 52 2HG1 VAL 52 3.521 7.256 -7.415 295 HG13 VAL 52 3HG1 VAL 52 4.976 6.566 -6.688 296 HG21 VAL 52 3HG2 VAL 52 1.223 6.212 -6.477 297 HG22 VAL 52 1HG2 VAL 52 1.900 6.190 -4.851 298 HG23 VAL 52 2HG2 VAL 52 1.343 4.691 -5.597 299 H PHE 53 H PHE 53 0.805 5.555 -8.184 300 HA PHE 53 HA PHE 53 1.651 6.895 -10.649 301 HB2 PHE 53 1HB PHE 53 -1.100 6.171 -9.628 302 HB3 PHE 53 2HB PHE 53 -0.801 7.066 -11.114 303 HD1 PHE 53 HD1 PHE 53 -0.531 3.804 -9.468 304 HD2 PHE 53 HD2 PHE 53 0.097 5.989 -13.066 305 HE1 PHE 53 HE1 PHE 53 -0.226 1.690 -10.696 306 HE2 PHE 53 HE2 PHE 53 0.393 3.881 -14.298 307 HZ PHE 53 HZ PHE 53 0.232 1.731 -13.113 308 H ASP 54 H ASP 54 -0.868 8.675 -10.308 309 HA ASP 54 HA ASP 54 0.122 10.382 -8.120 310 HB2 ASP 54 1HB ASP 54 0.890 11.240 -10.300 311 HB3 ASP 54 2HB ASP 54 -0.780 11.360 -10.831 312 H ASN 55 H ASN 55 -2.602 9.164 -9.852 313 HA ASN 55 HA ASN 55 -4.434 10.979 -8.484 314 HB2 ASN 55 1HB ASN 55 -4.798 9.254 -10.934 315 HB3 ASN 55 2HB ASN 55 -6.132 10.072 -10.129 316 HD21 ASN 55 2HD2 ASN 55 -3.256 10.468 -12.032 317 HD22 ASN 55 1HD2 ASN 55 -3.544 12.111 -12.482 318 H THR 56 H THR 56 -3.081 8.046 -8.081 319 HA THR 56 HA THR 56 -5.451 6.612 -7.246 320 HB THR 56 HB THR 56 -3.939 4.790 -6.708 321 HG1 THR 56 HG1 THR 56 -1.778 5.050 -6.556 322 HG21 THR 56 3HG2 THR 56 -2.773 4.506 -8.890 323 HG22 THR 56 1HG2 THR 56 -3.215 6.163 -9.285 324 HG23 THR 56 2HG2 THR 56 -4.472 4.951 -9.040 325 HA PRO 57 HA PRO 57 -5.577 8.244 -3.192 326 HB2 PRO 57 1HB PRO 57 -5.744 5.869 -1.701 327 HB3 PRO 57 2HB PRO 57 -7.107 6.772 -2.361 328 HG2 PRO 57 1HG PRO 57 -5.720 4.370 -3.451 329 HG3 PRO 57 2HG PRO 57 -7.442 4.791 -3.499 330 HD2 PRO 57 1HD PRO 57 -5.896 5.057 -5.660 331 HD3 PRO 57 2HD PRO 57 -7.156 6.253 -5.286 332 H ALA 58 H ALA 58 -3.604 5.354 -3.548 333 HA ALA 58 HA ALA 58 -1.783 5.699 -1.471 334 HB1 ALA 58 3HB ALA 58 -2.009 3.685 -2.868 335 HB2 ALA 58 1HB ALA 58 -0.340 4.236 -2.730 336 HB3 ALA 58 2HB ALA 58 -1.257 4.565 -4.201 337 H ALA 59 H ALA 59 -1.695 6.898 -4.816 338 HA ALA 59 HA ALA 59 0.882 8.119 -4.510 339 HB1 ALA 59 3HB ALA 59 -1.200 8.809 -6.555 340 HB2 ALA 59 1HB ALA 59 -0.229 7.342 -6.650 341 HB3 ALA 59 2HB ALA 59 0.555 8.919 -6.689 342 H LEU 60 H LEU 60 -2.391 9.355 -4.896 343 HA LEU 60 HA LEU 60 -1.770 12.030 -4.838 344 HB2 LEU 60 1HB LEU 60 -3.988 12.487 -4.689 345 HB3 LEU 60 2HB LEU 60 -3.818 11.057 -5.664 346 HG LEU 60 HG LEU 60 -4.438 10.014 -3.237 347 HD11 LEU 60 1HD1 LEU 60 -6.164 12.442 -3.540 348 HD12 LEU 60 2HD1 LEU 60 -4.664 12.495 -2.612 349 HD13 LEU 60 3HD1 LEU 60 -5.966 11.390 -2.133 350 HD21 LEU 60 3HD2 LEU 60 -6.289 11.000 -5.398 351 HD22 LEU 60 1HD2 LEU 60 -6.672 9.759 -4.205 352 HD23 LEU 60 2HD2 LEU 60 -5.411 9.473 -5.407 353 H ASP 61 H ASP 61 -3.579 10.725 -2.105 354 HA ASP 61 HA ASP 61 -2.273 12.719 -0.406 355 HB2 ASP 61 1HB ASP 61 -4.755 12.518 -0.363 356 HB3 ASP 61 2HB ASP 61 -4.588 10.866 0.217 357 H GLY 62 H GLY 62 -2.037 9.628 -1.399 358 HA2 GLY 62 1HA GLY 62 -1.675 8.193 1.037 359 HA3 GLY 62 2HA GLY 62 -1.183 7.641 -0.551 360 H THR 63 H THR 63 0.585 9.873 -0.977 361 HA THR 63 HA THR 63 2.790 10.261 -0.932 362 HB THR 63 HB THR 63 1.997 11.536 1.088 363 HG1 THR 63 HG1 THR 63 4.637 10.645 0.655 364 HG21 THR 63 3HG2 THR 63 3.324 9.269 2.571 365 HG22 THR 63 1HG2 THR 63 1.601 9.640 2.589 366 HG23 THR 63 2HG2 THR 63 2.756 10.781 3.281 367 H VAL 64 H VAL 64 1.909 7.404 -0.792 368 HA VAL 64 HA VAL 64 4.334 6.215 0.337 369 HB VAL 64 HB VAL 64 3.189 4.026 0.031 370 HG11 VAL 64 1HG1 VAL 64 3.306 5.421 2.069 371 HG12 VAL 64 2HG1 VAL 64 1.907 4.340 2.023 372 HG13 VAL 64 3HG1 VAL 64 1.717 6.064 1.667 373 HG21 VAL 64 3HG2 VAL 64 1.565 4.667 -1.701 374 HG22 VAL 64 1HG2 VAL 64 0.789 5.772 -0.567 375 HG23 VAL 64 2HG2 VAL 64 0.749 4.035 -0.271 376 H ALA 65 H ALA 65 5.073 7.502 -1.514 377 HA ALA 65 HA ALA 65 4.636 6.390 -4.153 378 HB1 ALA 65 3HB ALA 65 6.342 8.717 -3.282 379 HB2 ALA 65 1HB ALA 65 4.675 8.811 -3.850 380 HB3 ALA 65 2HB ALA 65 5.953 8.287 -4.948 381 H ALA 66 H ALA 66 6.659 6.292 -5.594 382 HA ALA 66 HA ALA 66 8.073 4.019 -4.844 383 HB1 ALA 66 3HB ALA 66 9.327 4.298 -6.862 384 HB2 ALA 66 1HB ALA 66 8.932 6.017 -6.928 385 HB3 ALA 66 2HB ALA 66 7.666 4.813 -7.170 386 H GLY 67 H GLY 67 9.516 3.841 -3.285 387 HA2 GLY 67 1HA GLY 67 11.923 4.480 -2.851 388 HA3 GLY 67 2HA GLY 67 11.313 6.126 -2.788 389 H ASP 68 H ASP 68 8.901 4.323 -1.478 390 HA ASP 68 HA ASP 68 9.929 4.761 1.232 391 HB2 ASP 68 1HB ASP 68 7.187 4.495 0.091 392 HB3 ASP 68 2HB ASP 68 7.452 4.135 1.784 393 H GLU 69 H GLU 69 9.819 3.183 2.808 394 HA GLU 69 HA GLU 69 9.967 0.467 1.730 395 HB2 GLU 69 1HB GLU 69 11.035 1.693 4.268 396 HB3 GLU 69 2HB GLU 69 10.997 -0.042 4.005 397 HG2 GLU 69 1HG GLU 69 13.174 0.683 3.467 398 HG3 GLU 69 2HG GLU 69 12.368 0.333 1.943 399 H ILE 70 H ILE 70 7.925 -0.259 1.672 400 HA ILE 70 HA ILE 70 5.981 0.263 3.699 401 HB ILE 70 HB ILE 70 5.933 -1.982 1.684 402 HG12 ILE 70 1HG1 ILE 70 6.314 0.152 0.548 403 HG13 ILE 70 2HG1 ILE 70 4.704 -0.471 0.207 404 HG21 ILE 70 1HG2 ILE 70 3.713 -0.569 3.144 405 HG22 ILE 70 2HG2 ILE 70 4.273 -2.216 3.435 406 HG23 ILE 70 3HG2 ILE 70 3.497 -1.806 1.905 407 HD11 ILE 70 3HD1 ILE 70 3.791 1.067 1.891 408 HD12 ILE 70 1HD1 ILE 70 4.614 1.900 0.570 409 HD13 ILE 70 2HD1 ILE 70 5.409 1.721 2.135 410 H THR 71 H THR 71 5.365 -0.977 5.458 411 HA THR 71 HA THR 71 6.976 -3.396 5.919 412 HB THR 71 HB THR 71 7.856 -1.629 7.322 413 HG1 THR 71 HG1 THR 71 6.316 -3.495 8.839 414 HG21 THR 71 3HG2 THR 71 5.854 -0.223 7.458 415 HG22 THR 71 1HG2 THR 71 6.517 -0.561 9.056 416 HG23 THR 71 2HG2 THR 71 5.083 -1.422 8.497 417 H GLY 72 H GLY 72 3.795 -2.034 5.898 418 HA2 GLY 72 1HA GLY 72 2.662 -4.603 6.299 419 HA3 GLY 72 2HA GLY 72 2.515 -3.655 7.766 420 H VAL 73 H VAL 73 0.336 -4.650 6.445 421 HA VAL 73 HA VAL 73 -0.954 -2.239 5.397 422 HB VAL 73 HB VAL 73 -1.119 -3.575 3.517 423 HG11 VAL 73 1HG1 VAL 73 0.242 -5.418 4.482 424 HG12 VAL 73 2HG1 VAL 73 -1.107 -6.010 3.510 425 HG13 VAL 73 3HG1 VAL 73 -1.209 -6.040 5.268 426 HG21 VAL 73 3HG2 VAL 73 -3.263 -4.647 5.319 427 HG22 VAL 73 1HG2 VAL 73 -3.233 -4.877 3.566 428 HG23 VAL 73 2HG2 VAL 73 -3.388 -3.251 4.240 429 H ASN 74 H ASN 74 -2.549 -1.554 6.720 430 HA ASN 74 HA ASN 74 -4.223 -1.529 8.262 431 HB2 ASN 74 1HB ASN 74 -4.656 -4.222 6.984 432 HB3 ASN 74 2HB ASN 74 -5.753 -3.575 8.192 433 HD21 ASN 74 2HD2 ASN 74 -7.455 -3.515 6.757 434 HD22 ASN 74 1HD2 ASN 74 -7.562 -2.332 5.501 435 H GLY 75 H GLY 75 -1.601 -2.516 9.174 436 HA2 GLY 75 1HA GLY 75 -1.114 -2.791 11.490 437 HA3 GLY 75 2HA GLY 75 -2.601 -3.705 11.661 438 H ARG 76 H ARG 76 -1.768 -5.226 9.091 439 HA ARG 76 HA ARG 76 -0.017 -7.080 10.488 440 HB2 ARG 76 1HB ARG 76 -0.936 -8.529 8.512 441 HB3 ARG 76 2HB ARG 76 -1.877 -8.280 9.962 442 HG2 ARG 76 1HG ARG 76 -3.109 -6.506 8.822 443 HG3 ARG 76 2HG ARG 76 -2.169 -6.809 7.362 444 HD2 ARG 76 1HD ARG 76 -3.075 -9.006 7.149 445 HD3 ARG 76 2HD ARG 76 -3.849 -8.899 8.729 446 HE ARG 76 HE ARG 76 -4.935 -6.831 7.362 447 HH11 ARG 76 1HH1 ARG 76 -4.596 -10.244 6.675 448 HH12 ARG 76 2HH1 ARG 76 -6.066 -10.334 5.759 449 HH21 ARG 76 1HH2 ARG 76 -6.864 -6.943 6.153 450 HH22 ARG 76 2HH2 ARG 76 -7.346 -8.450 5.444 451 H SER 77 H SER 77 1.990 -7.327 9.819 452 HA SER 77 HA SER 77 3.179 -5.872 7.756 453 HB2 SER 77 1HB SER 77 4.161 -8.467 8.966 454 HB3 SER 77 2HB SER 77 5.142 -7.237 8.174 455 HG SER 77 HG SER 77 5.225 -7.066 10.452 456 H ILE 78 H ILE 78 3.878 -6.448 5.678 457 HA ILE 78 HA ILE 78 2.190 -8.427 4.391 458 HB ILE 78 HB ILE 78 3.068 -7.700 2.290 459 HG12 ILE 78 1HG1 ILE 78 5.426 -7.288 3.168 460 HG13 ILE 78 2HG1 ILE 78 4.821 -6.189 1.942 461 HG21 ILE 78 1HG2 ILE 78 1.277 -6.388 3.146 462 HG22 ILE 78 2HG2 ILE 78 2.417 -5.304 2.348 463 HG23 ILE 78 3HG2 ILE 78 2.384 -5.410 4.108 464 HD11 ILE 78 3HD1 ILE 78 4.271 -4.585 3.776 465 HD12 ILE 78 1HD1 ILE 78 5.990 -4.914 3.564 466 HD13 ILE 78 2HD1 ILE 78 5.106 -5.671 4.885 467 H LYS 79 H LYS 79 5.390 -8.061 5.502 468 HA LYS 79 HA LYS 79 6.827 -9.840 3.911 469 HB2 LYS 79 1HB LYS 79 7.861 -8.223 5.375 470 HB3 LYS 79 2HB LYS 79 7.160 -8.998 6.783 471 HG2 LYS 79 1HG LYS 79 8.548 -10.964 6.407 472 HG3 LYS 79 2HG LYS 79 9.240 -10.204 4.971 473 HD2 LYS 79 1HD LYS 79 10.699 -9.983 6.949 474 HD3 LYS 79 2HD LYS 79 10.171 -8.421 6.322 475 HE2 LYS 79 1HE LYS 79 8.411 -8.357 8.055 476 HE3 LYS 79 2HE LYS 79 9.019 -9.878 8.701 477 HZ1 LYS 79 3HZ LYS 79 10.478 -7.298 8.581 478 HZ2 LYS 79 1HZ LYS 79 11.154 -8.762 9.097 479 HZ3 LYS 79 2HZ LYS 79 9.886 -8.062 9.966 480 H GLY 80 H GLY 80 4.558 -10.422 6.449 481 HA2 GLY 80 1HA GLY 80 5.474 -12.997 7.220 482 HA3 GLY 80 2HA GLY 80 3.885 -12.324 7.539 483 H LYS 81 H LYS 81 3.664 -11.901 4.465 484 HA LYS 81 HA LYS 81 3.032 -14.715 3.908 485 HB2 LYS 81 1HB LYS 81 0.973 -13.917 2.674 486 HB3 LYS 81 2HB LYS 81 0.914 -13.831 4.424 487 HG2 LYS 81 1HG LYS 81 1.623 -11.457 2.729 488 HG3 LYS 81 2HG LYS 81 -0.044 -11.876 3.118 489 HD2 LYS 81 1HD LYS 81 2.083 -11.442 5.206 490 HD3 LYS 81 2HD LYS 81 1.037 -10.157 4.605 491 HE2 LYS 81 1HE LYS 81 -0.917 -11.299 5.420 492 HE3 LYS 81 2HE LYS 81 0.031 -12.726 5.832 493 HZ1 LYS 81 3HZ LYS 81 0.399 -10.062 7.090 494 HZ2 LYS 81 1HZ LYS 81 1.146 -11.509 7.545 495 HZ3 LYS 81 2HZ LYS 81 -0.521 -11.314 7.760 496 H THR 82 H THR 82 1.915 -12.732 1.409 497 HA THR 82 HA THR 82 4.428 -12.895 -0.050 498 HB THR 82 HB THR 82 2.042 -14.399 -1.126 499 HG1 THR 82 HG1 THR 82 2.574 -15.805 0.384 500 HG21 THR 82 3HG2 THR 82 4.963 -14.400 -1.889 501 HG22 THR 82 1HG2 THR 82 3.653 -13.648 -2.799 502 HG23 THR 82 2HG2 THR 82 3.711 -15.402 -2.623 503 H LYS 83 H LYS 83 4.423 -11.752 -1.999 504 HA LYS 83 HA LYS 83 3.189 -9.329 -2.074 505 HB2 LYS 83 1HB LYS 83 3.612 -10.212 -4.788 506 HB3 LYS 83 2HB LYS 83 4.505 -9.022 -3.857 507 HG2 LYS 83 1HG LYS 83 5.798 -10.880 -2.840 508 HG3 LYS 83 2HG LYS 83 4.979 -11.992 -3.932 509 HD2 LYS 83 1HD LYS 83 7.115 -11.453 -4.865 510 HD3 LYS 83 2HD LYS 83 5.877 -10.654 -5.838 511 HE2 LYS 83 1HE LYS 83 6.406 -8.553 -5.016 512 HE3 LYS 83 2HE LYS 83 7.175 -9.202 -3.569 513 HZ1 LYS 83 3HZ LYS 83 9.002 -9.985 -4.914 514 HZ2 LYS 83 1HZ LYS 83 8.794 -8.326 -5.150 515 HZ3 LYS 83 2HZ LYS 83 8.262 -9.418 -6.325 516 H VAL 84 H VAL 84 2.205 -12.091 -4.112 517 HA VAL 84 HA VAL 84 -0.030 -10.913 -5.214 518 HB VAL 84 HB VAL 84 0.932 -12.884 -6.162 519 HG11 VAL 84 1HG1 VAL 84 1.760 -13.931 -4.134 520 HG12 VAL 84 2HG1 VAL 84 0.799 -15.071 -5.075 521 HG13 VAL 84 3HG1 VAL 84 0.112 -14.311 -3.641 522 HG21 VAL 84 3HG2 VAL 84 -1.047 -14.267 -6.464 523 HG22 VAL 84 1HG2 VAL 84 -1.423 -12.548 -6.545 524 HG23 VAL 84 2HG2 VAL 84 -1.805 -13.464 -5.090 525 H GLU 85 H GLU 85 0.319 -12.697 -2.187 526 HA GLU 85 HA GLU 85 -2.455 -12.881 -1.632 527 HB2 GLU 85 1HB GLU 85 -0.100 -13.041 0.250 528 HB3 GLU 85 2HB GLU 85 -1.743 -13.541 0.623 529 HG2 GLU 85 1HG GLU 85 -1.584 -15.200 -1.215 530 HG3 GLU 85 2HG GLU 85 0.109 -14.761 -1.401 531 H VAL 86 H VAL 86 0.026 -10.502 -0.835 532 HA VAL 86 HA VAL 86 -1.550 -9.233 1.168 533 HB VAL 86 HB VAL 86 0.083 -7.479 1.193 534 HG11 VAL 86 1HG1 VAL 86 1.080 -10.288 1.037 535 HG12 VAL 86 2HG1 VAL 86 0.829 -9.273 2.460 536 HG13 VAL 86 3HG1 VAL 86 2.191 -8.971 1.383 537 HG21 VAL 86 3HG2 VAL 86 1.321 -8.762 -1.218 538 HG22 VAL 86 1HG2 VAL 86 1.993 -7.413 -0.303 539 HG23 VAL 86 2HG2 VAL 86 0.479 -7.210 -1.188 540 H ALA 87 H ALA 87 -0.816 -8.426 -2.189 541 HA ALA 87 HA ALA 87 -2.493 -6.269 -2.603 542 HB1 ALA 87 3HB ALA 87 -2.221 -8.609 -4.488 543 HB2 ALA 87 1HB ALA 87 -1.047 -7.302 -4.336 544 HB3 ALA 87 2HB ALA 87 -2.683 -6.955 -4.893 545 H LYS 88 H LYS 88 -3.319 -9.721 -2.484 546 HA LYS 88 HA LYS 88 -6.063 -9.488 -3.000 547 HB2 LYS 88 1HB LYS 88 -4.957 -11.652 -2.991 548 HB3 LYS 88 2HB LYS 88 -4.636 -11.499 -1.264 549 HG2 LYS 88 1HG LYS 88 -6.908 -11.681 -0.731 550 HG3 LYS 88 2HG LYS 88 -7.402 -11.436 -2.398 551 HD2 LYS 88 1HD LYS 88 -7.631 -13.766 -1.822 552 HD3 LYS 88 2HD LYS 88 -6.347 -13.550 -3.013 553 HE2 LYS 88 1HE LYS 88 -4.705 -13.588 -1.196 554 HE3 LYS 88 2HE LYS 88 -5.999 -13.913 -0.047 555 HZ1 LYS 88 3HZ LYS 88 -6.492 -15.955 -1.291 556 HZ2 LYS 88 1HZ LYS 88 -4.926 -15.956 -0.657 557 HZ3 LYS 88 2HZ LYS 88 -5.170 -15.658 -2.300 558 H MET 89 H MET 89 -4.313 -9.591 0.088 559 HA MET 89 HA MET 89 -6.423 -9.319 1.842 560 HB2 MET 89 1HB MET 89 -3.693 -8.084 2.061 561 HB3 MET 89 2HB MET 89 -4.804 -8.281 3.401 562 HG2 MET 89 1HG MET 89 -4.739 -10.765 2.867 563 HG3 MET 89 2HG MET 89 -3.357 -10.399 1.841 564 HE1 MET 89 3HE MET 89 -1.063 -8.671 4.694 565 HE2 MET 89 1HE MET 89 -2.284 -7.896 3.688 566 HE3 MET 89 2HE MET 89 -1.128 -9.015 2.967 567 H ILE 90 H ILE 90 -4.735 -6.865 0.014 568 HA ILE 90 HA ILE 90 -6.107 -4.650 1.140 569 HB ILE 90 HB ILE 90 -4.417 -4.996 -1.324 570 HG12 ILE 90 1HG1 ILE 90 -3.888 -3.382 1.167 571 HG13 ILE 90 2HG1 ILE 90 -3.517 -5.098 1.078 572 HG21 ILE 90 1HG2 ILE 90 -6.197 -3.172 -1.559 573 HG22 ILE 90 2HG2 ILE 90 -4.514 -2.708 -1.814 574 HG23 ILE 90 3HG2 ILE 90 -5.317 -2.321 -0.284 575 HD11 ILE 90 3HD1 ILE 90 -1.588 -3.623 0.654 576 HD12 ILE 90 1HD1 ILE 90 -2.403 -3.024 -0.788 577 HD13 ILE 90 2HD1 ILE 90 -1.942 -4.722 -0.679 578 H GLN 91 H GLN 91 -6.623 -6.599 -1.813 579 HA GLN 91 HA GLN 91 -8.844 -5.069 -2.703 580 HB2 GLN 91 1HB GLN 91 -8.217 -7.965 -3.275 581 HB3 GLN 91 2HB GLN 91 -9.290 -6.934 -4.183 582 HG2 GLN 91 1HG GLN 91 -6.314 -6.640 -3.966 583 HG3 GLN 91 2HG GLN 91 -7.205 -7.249 -5.354 584 HE21 GLN 91 2HE2 GLN 91 -6.537 -5.737 -6.789 585 HE22 GLN 91 1HE2 GLN 91 -6.960 -4.063 -6.683 586 H GLU 92 H GLU 92 -8.401 -7.643 -0.431 587 HA GLU 92 HA GLU 92 -11.095 -8.555 -0.316 588 HB2 GLU 92 1HB GLU 92 -9.238 -9.971 0.334 589 HB3 GLU 92 2HB GLU 92 -8.774 -8.864 1.603 590 HG2 GLU 92 1HG GLU 92 -9.876 -10.616 2.661 591 HG3 GLU 92 2HG GLU 92 -11.041 -9.307 2.597 592 H VAL 93 H VAL 93 -9.118 -6.513 1.796 593 HA VAL 93 HA VAL 93 -11.278 -5.692 3.464 594 HB VAL 93 HB VAL 93 -9.778 -4.042 4.386 595 HG11 VAL 93 1HG1 VAL 93 -8.340 -6.605 3.719 596 HG12 VAL 93 2HG1 VAL 93 -9.437 -6.335 5.076 597 HG13 VAL 93 3HG1 VAL 93 -7.891 -5.487 5.010 598 HG21 VAL 93 3HG2 VAL 93 -8.847 -3.189 2.281 599 HG22 VAL 93 1HG2 VAL 93 -7.907 -4.678 2.103 600 HG23 VAL 93 2HG2 VAL 93 -7.574 -3.587 3.449 601 H LYS 94 H LYS 94 -12.370 -5.443 1.119 602 HA LYS 94 HA LYS 94 -12.120 -3.296 -0.514 603 HB2 LYS 94 1HB LYS 94 -14.613 -3.477 -0.849 604 HB3 LYS 94 2HB LYS 94 -13.718 -4.979 -1.022 605 HG2 LYS 94 1HG LYS 94 -14.359 -5.592 1.282 606 HG3 LYS 94 2HG LYS 94 -15.321 -4.118 1.375 607 HD2 LYS 94 1HD LYS 94 -16.717 -4.886 -0.461 608 HD3 LYS 94 2HD LYS 94 -15.724 -6.337 -0.628 609 HE2 LYS 94 1HE LYS 94 -16.348 -7.022 1.635 610 HE3 LYS 94 2HE LYS 94 -17.332 -5.570 1.807 611 HZ1 LYS 94 3HZ LYS 94 -18.687 -6.352 -0.060 612 HZ2 LYS 94 1HZ LYS 94 -18.710 -7.437 1.240 613 HZ3 LYS 94 2HZ LYS 94 -17.776 -7.773 -0.128 614 H GLY 95 H GLY 95 -12.379 -1.187 -0.420 615 HA2 GLY 95 1HA GLY 95 -13.865 0.651 0.100 616 HA3 GLY 95 2HA GLY 95 -14.141 -0.094 1.664 617 H GLU 96 H GLU 96 -11.249 -0.638 2.113 618 HA GLU 96 HA GLU 96 -10.369 2.113 2.589 619 HB2 GLU 96 1HB GLU 96 -10.283 1.820 5.004 620 HB3 GLU 96 2HB GLU 96 -11.922 1.607 4.397 621 HG2 GLU 96 1HG GLU 96 -11.731 -0.761 4.540 622 HG3 GLU 96 2HG GLU 96 -10.043 -0.645 4.999 623 H VAL 97 H VAL 97 -8.269 2.354 3.160 624 HA VAL 97 HA VAL 97 -6.587 -0.054 3.306 625 HB VAL 97 HB VAL 97 -4.944 0.780 1.819 626 HG11 VAL 97 1HG1 VAL 97 -7.575 1.449 0.524 627 HG12 VAL 97 2HG1 VAL 97 -6.928 -0.180 0.727 628 HG13 VAL 97 3HG1 VAL 97 -6.079 0.984 -0.288 629 HG21 VAL 97 3HG2 VAL 97 -5.036 2.977 0.753 630 HG22 VAL 97 1HG2 VAL 97 -4.932 3.106 2.509 631 HG23 VAL 97 2HG2 VAL 97 -6.474 3.369 1.695 632 H THR 98 H THR 98 -4.812 0.086 4.649 633 HA THR 98 HA THR 98 -4.074 2.710 5.719 634 HB THR 98 HB THR 98 -4.409 0.245 7.444 635 HG1 THR 98 HG1 THR 98 -6.355 1.538 6.662 636 HG21 THR 98 3HG2 THR 98 -2.592 1.713 8.174 637 HG22 THR 98 1HG2 THR 98 -3.945 1.778 9.303 638 HG23 THR 98 2HG2 THR 98 -3.691 3.092 8.155 639 H ILE 99 H ILE 99 -2.032 2.961 5.073 640 HA ILE 99 HA ILE 99 -0.393 0.563 4.684 641 HB ILE 99 HB ILE 99 1.136 2.421 3.551 642 HG12 ILE 99 1HG1 ILE 99 -0.622 4.204 4.078 643 HG13 ILE 99 2HG1 ILE 99 -0.002 4.143 2.435 644 HG21 ILE 99 1HG2 ILE 99 0.192 1.747 1.388 645 HG22 ILE 99 2HG2 ILE 99 -1.199 1.061 2.228 646 HG23 ILE 99 3HG2 ILE 99 0.407 0.384 2.488 647 HD11 ILE 99 3HD1 ILE 99 -2.011 3.025 1.689 648 HD12 ILE 99 1HD1 ILE 99 -2.402 4.529 2.524 649 HD13 ILE 99 2HD1 ILE 99 -2.619 2.987 3.346 650 H HIS 100 H HIS 100 1.307 0.146 5.887 651 HA HIS 100 HA HIS 100 2.379 2.281 7.602 652 HB2 HIS 100 1HB HIS 100 2.314 -0.705 7.862 653 HB3 HIS 100 2HB HIS 100 3.586 0.207 8.666 654 HD1 HIS 100 HD1 HIS 100 2.997 1.392 10.797 655 HD2 HIS 100 HD2 HIS 100 -0.334 -0.107 8.811 656 HE1 HIS 100 HE1 HIS 100 1.076 1.656 12.402 657 HE2 HIS 100 HE2 HIS 100 -0.937 0.786 11.164 658 H TYR 101 H TYR 101 4.257 3.132 7.105 659 HA TYR 101 HA TYR 101 6.156 1.608 5.479 660 HB2 TYR 101 1HB TYR 101 6.543 3.604 4.046 661 HB3 TYR 101 2HB TYR 101 4.924 2.942 3.871 662 HD1 TYR 101 HD1 TYR 101 2.976 4.169 4.734 663 HD2 TYR 101 HD2 TYR 101 6.899 5.787 5.002 664 HE1 TYR 101 HE1 TYR 101 2.025 6.388 5.203 665 HE2 TYR 101 HE2 TYR 101 5.959 8.006 5.473 666 HH TYR 101 HH TYR 101 3.912 9.241 5.136 667 H ASN 102 H ASN 102 8.303 2.189 5.765 668 HA ASN 102 HA ASN 102 8.882 4.170 7.867 669 HB2 ASN 102 1HB ASN 102 10.162 1.421 7.703 670 HB3 ASN 102 2HB ASN 102 10.462 2.646 8.942 671 HD21 ASN 102 2HD2 ASN 102 9.472 -0.163 9.006 672 HD22 ASN 102 1HD2 ASN 102 8.013 -0.091 9.928 673 H LYS 103 H LYS 103 11.363 4.559 7.879 674 HA LYS 103 HA LYS 103 12.324 4.576 5.108 675 HB2 LYS 103 1HB LYS 103 12.860 6.300 7.485 676 HB3 LYS 103 2HB LYS 103 14.144 6.102 6.306 677 HG2 LYS 103 1HG LYS 103 12.930 8.097 5.814 678 HG3 LYS 103 2HG LYS 103 12.629 6.914 4.546 679 HD2 LYS 103 1HD LYS 103 10.665 6.691 6.642 680 HD3 LYS 103 2HD LYS 103 10.738 8.343 6.027 681 HE2 LYS 103 1HE LYS 103 10.559 7.399 3.717 682 HE3 LYS 103 2HE LYS 103 10.284 5.819 4.447 683 HZ1 LYS 103 3HZ LYS 103 8.211 6.903 3.852 684 HZ2 LYS 103 1HZ LYS 103 8.590 8.218 4.853 685 HZ3 LYS 103 2HZ LYS 103 8.325 6.696 5.532 686 H LEU 104 H LEU 104 14.636 4.198 4.785 687 HA LEU 104 HA LEU 104 16.016 2.405 4.551 688 HB2 LEU 104 1HB LEU 104 17.834 2.458 6.281 689 HB3 LEU 104 2HB LEU 104 17.518 3.921 5.396 690 HG LEU 104 HG LEU 104 18.121 4.354 7.716 691 HD11 LEU 104 1HD1 LEU 104 16.582 5.877 6.513 692 HD12 LEU 104 2HD1 LEU 104 16.457 5.930 8.271 693 HD13 LEU 104 3HD1 LEU 104 15.243 5.068 7.331 694 HD21 LEU 104 3HD2 LEU 104 15.634 2.832 8.441 695 HD22 LEU 104 1HD2 LEU 104 16.601 3.801 9.557 696 HD23 LEU 104 2HD2 LEU 104 17.298 2.370 8.795 697 H GLN 105 H GLN 105 14.012 0.961 4.942 698 HA GLN 105 HA GLN 105 14.272 -0.719 7.275 699 HB2 GLN 105 1HB GLN 105 12.082 -0.258 6.123 700 HB3 GLN 105 2HB GLN 105 12.640 -1.251 4.786 701 HG2 GLN 105 1HG GLN 105 12.769 -3.185 6.230 702 HG3 GLN 105 2HG GLN 105 12.319 -2.204 7.622 703 HE21 GLN 105 2HE2 GLN 105 10.872 -1.761 4.487 704 HE22 GLN 105 1HE2 GLN 105 9.307 -2.371 4.901 705 H ALA 106 H ALA 106 16.630 -0.660 6.307 706 HA ALA 106 HA ALA 106 17.187 -3.366 5.447 707 HB1 ALA 106 3HB ALA 106 18.168 -0.984 3.857 708 HB2 ALA 106 1HB ALA 106 17.021 -2.200 3.296 709 HB3 ALA 106 2HB ALA 106 18.693 -2.653 3.630 710 H ASP 107 H ASP 107 19.856 -3.356 5.266 711 HA ASP 107 HA ASP 107 20.793 -1.813 7.599 712 HB2 ASP 107 1HB ASP 107 21.196 -4.800 7.242 713 HB3 ASP 107 2HB ASP 107 21.900 -3.821 8.523 714 HA PRO 108 HA PRO 108 24.492 -0.695 5.498 715 HB2 PRO 108 1HB PRO 108 25.809 -2.717 7.288 716 HB3 PRO 108 2HB PRO 108 26.385 -1.123 6.800 717 HG2 PRO 108 1HG PRO 108 25.191 -1.491 9.166 718 HG3 PRO 108 2HG PRO 108 24.938 -0.012 8.225 719 HD2 PRO 108 1HD PRO 108 23.066 -2.209 8.781 720 HD3 PRO 108 2HD PRO 108 22.729 -0.558 8.225 721 H LYS 109 H LYS 109 24.508 -4.163 6.257 722 HA LYS 109 HA LYS 109 25.998 -5.056 4.077 723 HB2 LYS 109 1HB LYS 109 24.966 -7.262 4.522 724 HB3 LYS 109 2HB LYS 109 25.574 -6.485 5.975 725 HG2 LYS 109 1HG LYS 109 23.351 -5.874 6.639 726 HG3 LYS 109 2HG LYS 109 22.689 -6.448 5.109 727 HD2 LYS 109 1HD LYS 109 22.219 -8.133 6.692 728 HD3 LYS 109 2HD LYS 109 23.573 -8.733 5.740 729 HE2 LYS 109 1HE LYS 109 24.007 -7.301 8.338 730 HE3 LYS 109 2HE LYS 109 23.636 -9.020 8.296 731 HZ1 LYS 109 3HZ LYS 109 25.992 -8.700 8.385 732 HZ2 LYS 109 1HZ LYS 109 25.971 -7.694 7.028 733 HZ3 LYS 109 2HZ LYS 109 25.594 -9.332 6.869 734 H GLN 110 H GLN 110 22.486 -4.817 4.385 735 HA GLN 110 HA GLN 110 22.079 -5.799 1.707 736 HB2 GLN 110 1HB GLN 110 20.305 -5.144 4.009 737 HB3 GLN 110 2HB GLN 110 19.644 -5.457 2.422 738 HG2 GLN 110 1HG GLN 110 21.338 -7.335 4.019 739 HG3 GLN 110 2HG GLN 110 19.594 -7.412 3.842 740 HE21 GLN 110 2HE2 GLN 110 22.651 -7.911 2.266 741 HE22 GLN 110 1HE2 GLN 110 22.034 -8.792 0.916 742 H LEU 111 H LEU 111 22.479 -2.882 3.277 743 HA LEU 111 HA LEU 111 20.702 -1.315 1.677 744 HB2 LEU 111 1HB LEU 111 21.235 -0.776 4.021 745 HB3 LEU 111 2HB LEU 111 22.907 -0.524 3.583 746 HG LEU 111 HG LEU 111 21.471 1.546 3.960 747 HD11 LEU 111 1HD1 LEU 111 23.631 1.687 2.892 748 HD12 LEU 111 2HD1 LEU 111 22.494 2.783 2.106 749 HD13 LEU 111 3HD1 LEU 111 22.921 1.252 1.339 750 HD21 LEU 111 3HD2 LEU 111 19.483 0.777 2.769 751 HD22 LEU 111 1HD2 LEU 111 20.389 0.765 1.256 752 HD23 LEU 111 2HD2 LEU 111 20.090 2.288 2.093 753 H GLU 112 H GLU 112 24.173 -2.006 1.835 754 HA GLU 112 HA GLU 112 24.908 -0.313 -0.334 755 HB2 GLU 112 1HB GLU 112 26.980 -1.709 -0.394 756 HB3 GLU 112 2HB GLU 112 26.612 -1.056 1.199 757 HG2 GLU 112 1HG GLU 112 25.815 -3.142 1.968 758 HG3 GLU 112 2HG GLU 112 25.824 -3.817 0.341 759 H VAL 113 H VAL 113 23.757 -3.594 -0.053 760 HA VAL 113 HA VAL 113 24.154 -4.467 -2.687 761 HB VAL 113 HB VAL 113 21.983 -5.183 -0.702 762 HG11 VAL 113 1HG1 VAL 113 22.773 -6.602 -3.238 763 HG12 VAL 113 2HG1 VAL 113 21.259 -5.746 -2.951 764 HG13 VAL 113 3HG1 VAL 113 21.638 -7.201 -2.030 765 HG21 VAL 113 3HG2 VAL 113 24.569 -6.555 -1.422 766 HG22 VAL 113 1HG2 VAL 113 23.354 -7.174 -0.302 767 HG23 VAL 113 2HG2 VAL 113 24.226 -5.688 0.076 768 H LEU 114 H LEU 114 21.511 -2.696 -1.162 769 HA LEU 114 HA LEU 114 19.984 -2.401 -3.562 770 HB2 LEU 114 1HB LEU 114 19.912 -0.996 -0.895 771 HB3 LEU 114 2HB LEU 114 18.776 -0.681 -2.185 772 HG LEU 114 HG LEU 114 19.130 -3.367 -0.855 773 HD11 LEU 114 1HD1 LEU 114 17.017 -1.257 -0.426 774 HD12 LEU 114 2HD1 LEU 114 18.257 -1.742 0.731 775 HD13 LEU 114 3HD1 LEU 114 17.000 -2.884 0.255 776 HD21 LEU 114 3HD2 LEU 114 18.280 -3.542 -3.116 777 HD22 LEU 114 1HD2 LEU 114 17.055 -2.321 -2.776 778 HD23 LEU 114 2HD2 LEU 114 16.992 -3.883 -1.961 779 H PHE 115 H PHE 115 22.674 -0.815 -2.161 780 HA PHE 115 HA PHE 115 22.249 1.815 -3.106 781 HB2 PHE 115 1HB PHE 115 23.794 1.351 -1.297 782 HB3 PHE 115 2HB PHE 115 24.797 0.377 -2.358 783 HD1 PHE 115 HD1 PHE 115 23.406 3.838 -2.183 784 HD2 PHE 115 HD2 PHE 115 26.681 1.329 -3.221 785 HE1 PHE 115 HE1 PHE 115 24.737 5.822 -2.772 786 HE2 PHE 115 HE2 PHE 115 28.016 3.306 -3.809 787 HZ PHE 115 HZ PHE 115 27.044 5.555 -3.586 788 H GLN 116 H GLN 116 24.343 -0.785 -4.379 789 HA GLN 116 HA GLN 116 24.546 0.768 -6.865 790 HB2 GLN 116 1HB GLN 116 26.691 0.138 -5.855 791 HB3 GLN 116 2HB GLN 116 26.226 -1.557 -5.909 792 HG2 GLN 116 1HG GLN 116 26.120 -1.429 -8.361 793 HG3 GLN 116 2HG GLN 116 26.657 0.246 -8.278 794 HE21 GLN 116 2HE2 GLN 116 28.491 -0.319 -6.057 795 HE22 GLN 116 1HE2 GLN 116 29.839 -1.138 -6.766 796 H GLY 117 H GLY 117 24.347 -2.648 -5.886 797 HA2 GLY 117 1HA GLY 117 22.402 -3.926 -6.715 798 HA3 GLY 117 2HA GLY 117 22.632 -3.100 -8.252 799 HA PRO 118 HA PRO 118 26.691 -5.759 -7.618 800 HB2 PRO 118 1HB PRO 118 26.265 -7.784 -5.768 801 HB3 PRO 118 2HB PRO 118 27.179 -6.310 -5.478 802 HG2 PRO 118 1HG PRO 118 24.329 -6.936 -4.833 803 HG3 PRO 118 2HG PRO 118 25.544 -6.088 -3.852 804 HD2 PRO 118 1HD PRO 118 23.707 -4.695 -5.138 805 HD3 PRO 118 2HD PRO 118 25.400 -4.149 -5.146 806 H GLN 119 H GLN 119 23.574 -7.339 -7.028 807 HA GLN 119 HA GLN 119 23.807 -8.819 -9.495 808 HB2 GLN 119 1HB GLN 119 23.397 -11.014 -8.389 809 HB3 GLN 119 2HB GLN 119 24.979 -10.337 -8.034 810 HG2 GLN 119 1HG GLN 119 24.180 -9.576 -5.864 811 HG3 GLN 119 2HG GLN 119 22.579 -10.221 -6.221 812 HE21 GLN 119 2HE2 GLN 119 22.268 -12.444 -6.233 813 HE22 GLN 119 1HE2 GLN 119 23.392 -13.531 -5.498 814 H PHE 120 H PHE 120 21.847 -9.141 -10.392 815 HA PHE 120 HA PHE 120 19.493 -9.321 -8.704 816 HB2 PHE 120 1HB PHE 120 18.256 -7.614 -10.017 817 HB3 PHE 120 2HB PHE 120 19.587 -6.926 -9.098 818 HD1 PHE 120 HD2 PHE 120 21.569 -6.073 -10.227 819 HD2 PHE 120 HD1 PHE 120 18.272 -7.630 -12.423 820 HE1 PHE 120 HE2 PHE 120 22.437 -5.019 -12.273 821 HE2 PHE 120 HE1 PHE 120 19.135 -6.575 -14.471 822 HZ PHE 120 HZ PHE 120 21.219 -5.270 -14.397 823 H THR 121 H THR 121 17.638 -10.165 -9.871 824 HA THR 121 HA THR 121 17.934 -11.111 -12.540 825 HB THR 121 HB THR 121 19.467 -12.705 -11.570 826 HG1 THR 121 HG1 THR 121 17.747 -13.441 -13.100 827 HG21 THR 121 3HG2 THR 121 17.254 -13.427 -9.645 828 HG22 THR 121 1HG2 THR 121 18.750 -12.586 -9.239 829 HG23 THR 121 2HG2 THR 121 18.802 -14.259 -9.793 830 H LEU 122 H LEU 122 16.287 -11.256 -9.450 831 HA LEU 122 HA LEU 122 13.841 -12.156 -10.790 832 HB2 LEU 122 1HB LEU 122 14.660 -13.450 -8.833 833 HB3 LEU 122 2HB LEU 122 14.480 -12.016 -7.842 834 HG LEU 122 HG LEU 122 12.038 -12.043 -8.329 835 HD11 LEU 122 1HD1 LEU 122 12.665 -14.715 -9.577 836 HD12 LEU 122 2HD1 LEU 122 12.113 -13.276 -10.433 837 HD13 LEU 122 3HD1 LEU 122 11.054 -14.067 -9.268 838 HD21 LEU 122 3HD2 LEU 122 13.153 -14.556 -7.092 839 HD22 LEU 122 1HD2 LEU 122 11.534 -13.904 -6.840 840 HD23 LEU 122 2HD2 LEU 122 12.943 -13.007 -6.274 841 H ARG 123 H ARG 123 12.779 -10.418 -11.555 842 HA ARG 123 HA ARG 123 12.196 -8.263 -9.642 843 HB2 ARG 123 1HB ARG 123 13.881 -7.502 -11.304 844 HB3 ARG 123 2HB ARG 123 12.745 -7.877 -12.593 845 HG2 ARG 123 1HG ARG 123 11.164 -6.234 -11.559 846 HG3 ARG 123 2HG ARG 123 12.463 -5.773 -10.460 847 HD2 ARG 123 1HD ARG 123 12.606 -5.641 -13.468 848 HD3 ARG 123 2HD ARG 123 12.267 -4.271 -12.413 849 HE ARG 123 HE ARG 123 14.644 -5.281 -11.506 850 HH11 ARG 123 1HH1 ARG 123 13.460 -4.094 -14.575 851 HH12 ARG 123 2HH1 ARG 123 15.007 -3.513 -15.095 852 HH21 ARG 123 1HH2 ARG 123 16.690 -4.519 -12.185 853 HH22 ARG 123 2HH2 ARG 123 16.852 -3.756 -13.735 854 H HIS 124 H HIS 124 10.201 -9.281 -9.205 855 HA HIS 124 HA HIS 124 8.170 -8.419 -11.085 856 HB2 HIS 124 1HB HIS 124 6.924 -10.471 -11.129 857 HB3 HIS 124 2HB HIS 124 8.566 -10.836 -11.630 858 HD1 HIS 124 HD1 HIS 124 5.989 -12.212 -9.669 859 HD2 HIS 124 HD2 HIS 124 10.094 -11.822 -9.158 860 HE1 HIS 124 HE1 HIS 124 6.618 -13.924 -7.943 861 HE2 HIS 124 HE2 HIS 124 9.129 -13.804 -7.806 862 H TRP 125 H TRP 125 6.688 -7.314 -10.020 863 HA TRP 125 HA TRP 125 6.619 -7.632 -7.096 864 HB2 TRP 125 1HB TRP 125 5.904 -5.193 -7.113 865 HB3 TRP 125 2HB TRP 125 7.571 -5.519 -7.572 866 HD1 TRP 125 HD1 TRP 125 4.176 -4.881 -9.362 867 HE1 TRP 125 HE1 TRP 125 4.660 -3.548 -11.511 868 HE3 TRP 125 HE3 TRP 125 9.278 -4.739 -9.090 869 HZ2 TRP 125 HZ2 TRP 125 6.912 -2.565 -12.902 870 HZ3 TRP 125 HZ3 TRP 125 10.520 -3.585 -10.869 871 HH2 TRP 125 HH2 TRP 125 9.362 -2.521 -12.736 872 H LEU 126 H LEU 126 4.540 -6.480 -6.209 873 HA LEU 126 HA LEU 126 2.252 -7.711 -7.553 874 HB2 LEU 126 1HB LEU 126 1.070 -7.467 -5.488 875 HB3 LEU 126 2HB LEU 126 2.652 -8.118 -5.118 876 HG LEU 126 HG LEU 126 3.085 -5.446 -4.839 877 HD11 LEU 126 1HD1 LEU 126 1.276 -4.517 -3.529 878 HD12 LEU 126 2HD1 LEU 126 0.324 -5.980 -3.771 879 HD13 LEU 126 3HD1 LEU 126 0.708 -4.942 -5.143 880 HD21 LEU 126 3HD2 LEU 126 3.878 -7.071 -3.299 881 HD22 LEU 126 1HD2 LEU 126 2.235 -7.510 -2.835 882 HD23 LEU 126 2HD2 LEU 126 2.883 -5.933 -2.390 883 H LYS 127 H LYS 127 0.187 -6.326 -7.289 884 HA LYS 127 HA LYS 127 0.691 -3.548 -8.012 885 HB2 LYS 127 1HB LYS 127 -0.828 -5.477 -9.783 886 HB3 LYS 127 2HB LYS 127 -0.628 -3.756 -10.068 887 HG2 LYS 127 1HG LYS 127 1.736 -4.047 -10.410 888 HG3 LYS 127 2HG LYS 127 1.617 -5.755 -9.999 889 HD2 LYS 127 1HD LYS 127 1.733 -5.470 -12.414 890 HD3 LYS 127 2HD LYS 127 0.165 -6.120 -11.943 891 HE2 LYS 127 1HE LYS 127 0.502 -3.169 -12.269 892 HE3 LYS 127 2HE LYS 127 0.333 -4.182 -13.698 893 HZ1 LYS 127 3HZ LYS 127 -1.772 -5.006 -12.796 894 HZ2 LYS 127 1HZ LYS 127 -1.800 -3.328 -12.997 895 HZ3 LYS 127 2HZ LYS 127 -1.611 -3.994 -11.456 896 H VAL 128 H VAL 128 -0.497 -2.903 -6.174 897 HA VAL 128 HA VAL 128 -3.348 -3.307 -6.548 898 HB VAL 128 HB VAL 128 -2.662 -4.793 -4.715 899 HG11 VAL 128 1HG1 VAL 128 -1.992 -3.942 -2.577 900 HG12 VAL 128 2HG1 VAL 128 -1.976 -2.297 -3.215 901 HG13 VAL 128 3HG1 VAL 128 -0.821 -3.489 -3.816 902 HG21 VAL 128 3HG2 VAL 128 -4.435 -2.525 -3.905 903 HG22 VAL 128 1HG2 VAL 128 -4.397 -4.132 -3.179 904 HG23 VAL 128 2HG2 VAL 128 -4.900 -3.937 -4.855 Start of MODEL 15 1 H1 GLY 13 1H GLY 13 17.391 -6.414 6.730 2 H2 GLY 13 2H GLY 13 17.704 -5.080 7.717 3 H3 GLY 13 3H GLY 13 16.767 -4.896 6.324 4 HA2 GLY 13 1HA GLY 13 15.066 -6.360 7.275 5 HA3 GLY 13 2HA GLY 13 16.028 -6.443 8.743 6 H SER 14 H SER 14 16.055 -4.712 10.148 7 HA SER 14 HA SER 14 14.746 -2.231 9.371 8 HB2 SER 14 1HB SER 14 13.837 -3.839 11.778 9 HB3 SER 14 2HB SER 14 13.252 -2.238 11.324 10 HG SER 14 HG SER 14 12.604 -3.276 9.279 11 HA PRO 15 HA PRO 15 18.390 -1.796 12.216 12 HB2 PRO 15 1HB PRO 15 20.098 -0.560 10.569 13 HB3 PRO 15 2HB PRO 15 19.853 -2.308 10.495 14 HG2 PRO 15 1HG PRO 15 18.798 -0.169 8.704 15 HG3 PRO 15 2HG PRO 15 19.352 -1.802 8.298 16 HD2 PRO 15 1HD PRO 15 16.693 -1.016 8.613 17 HD3 PRO 15 2HD PRO 15 17.287 -2.686 8.638 18 H GLY 16 H GLY 16 16.455 -0.299 12.905 19 HA2 GLY 16 1HA GLY 16 15.914 1.766 13.767 20 HA3 GLY 16 2HA GLY 16 17.500 2.329 13.256 21 H ILE 17 H ILE 17 14.208 1.730 12.194 22 HA ILE 17 HA ILE 17 14.512 2.726 9.576 23 HB ILE 17 HB ILE 17 12.021 2.951 9.591 24 HG12 ILE 17 1HG1 ILE 17 12.316 1.925 12.419 25 HG13 ILE 17 2HG1 ILE 17 11.687 3.498 11.938 26 HG21 ILE 17 1HG2 ILE 17 13.172 0.342 10.545 27 HG22 ILE 17 2HG2 ILE 17 13.151 0.935 8.882 28 HG23 ILE 17 3HG2 ILE 17 11.637 0.548 9.702 29 HD11 ILE 17 3HD1 ILE 17 9.900 1.967 12.551 30 HD12 ILE 17 1HD1 ILE 17 10.427 0.841 11.301 31 HD13 ILE 17 2HD1 ILE 17 9.796 2.425 10.852 32 HA PRO 18 HA PRO 18 14.751 7.044 9.710 33 HB2 PRO 18 1HB PRO 18 12.752 7.808 7.954 34 HB3 PRO 18 2HB PRO 18 14.328 7.200 7.448 35 HG2 PRO 18 1HG PRO 18 11.753 5.716 7.755 36 HG3 PRO 18 2HG PRO 18 12.920 5.666 6.424 37 HD2 PRO 18 1HD PRO 18 12.911 3.750 8.214 38 HD3 PRO 18 2HD PRO 18 14.459 4.411 7.678 39 H VAL 19 H VAL 19 11.347 7.221 9.002 40 HA VAL 19 HA VAL 19 10.696 7.758 11.779 41 HB VAL 19 HB VAL 19 8.878 9.233 10.492 42 HG11 VAL 19 1HG1 VAL 19 10.265 11.201 11.033 43 HG12 VAL 19 2HG1 VAL 19 11.650 10.131 11.249 44 HG13 VAL 19 3HG1 VAL 19 10.264 10.011 12.334 45 HG21 VAL 19 3HG2 VAL 19 11.361 9.490 8.833 46 HG22 VAL 19 1HG2 VAL 19 9.919 10.494 8.699 47 HG23 VAL 19 2HG2 VAL 19 9.841 8.778 8.303 48 HA PRO 20 HA PRO 20 7.614 4.639 11.171 49 HB2 PRO 20 1HB PRO 20 5.786 6.261 12.807 50 HB3 PRO 20 2HB PRO 20 6.401 4.635 13.103 51 HG2 PRO 20 1HG PRO 20 7.248 6.720 14.545 52 HG3 PRO 20 2HG PRO 20 8.352 5.413 14.075 53 HD2 PRO 20 1HD PRO 20 8.032 8.143 12.882 54 HD3 PRO 20 2HD PRO 20 9.509 7.218 13.213 55 H GLY 21 H GLY 21 6.377 4.370 9.449 56 HA2 GLY 21 1HA GLY 21 4.844 6.688 8.453 57 HA3 GLY 21 2HA GLY 21 5.629 5.518 7.407 58 H LYS 22 H LYS 22 2.777 6.406 8.867 59 HA LYS 22 HA LYS 22 1.497 3.955 7.925 60 HB2 LYS 22 1HB LYS 22 0.887 5.136 10.644 61 HB3 LYS 22 2HB LYS 22 0.091 3.756 9.908 62 HG2 LYS 22 1HG LYS 22 1.503 2.622 11.245 63 HG3 LYS 22 2HG LYS 22 2.603 2.853 9.887 64 HD2 LYS 22 1HD LYS 22 3.767 3.426 11.900 65 HD3 LYS 22 2HD LYS 22 3.449 4.914 11.008 66 HE2 LYS 22 1HE LYS 22 1.612 5.456 12.455 67 HE3 LYS 22 2HE LYS 22 1.727 3.895 13.263 68 HZ1 LYS 22 3HZ LYS 22 3.780 6.040 13.324 69 HZ2 LYS 22 1HZ LYS 22 3.909 4.536 14.090 70 HZ3 LYS 22 2HZ LYS 22 2.728 5.638 14.582 71 H VAL 23 H VAL 23 0.154 4.740 6.393 72 HA VAL 23 HA VAL 23 -1.521 7.026 7.201 73 HB VAL 23 HB VAL 23 -1.523 7.959 4.975 74 HG11 VAL 23 1HG1 VAL 23 0.800 8.700 4.781 75 HG12 VAL 23 2HG1 VAL 23 1.291 7.416 5.887 76 HG13 VAL 23 3HG1 VAL 23 0.243 8.716 6.456 77 HG21 VAL 23 3HG2 VAL 23 -0.120 7.120 3.171 78 HG22 VAL 23 1HG2 VAL 23 -1.291 5.903 3.679 79 HG23 VAL 23 2HG2 VAL 23 0.392 5.767 4.186 80 H THR 24 H THR 24 -3.657 7.032 6.338 81 HA THR 24 HA THR 24 -4.451 4.435 5.218 82 HB THR 24 HB THR 24 -5.217 4.566 7.529 83 HG1 THR 24 HG1 THR 24 -6.574 3.532 5.981 84 HG21 THR 24 3HG2 THR 24 -6.908 6.226 8.205 85 HG22 THR 24 1HG2 THR 24 -6.696 7.052 6.661 86 HG23 THR 24 2HG2 THR 24 -5.361 6.976 7.812 87 H LEU 25 H LEU 25 -5.461 4.492 3.374 88 HA LEU 25 HA LEU 25 -6.695 7.007 2.478 89 HB2 LEU 25 1HB LEU 25 -5.255 4.961 0.776 90 HB3 LEU 25 2HB LEU 25 -6.098 6.367 0.175 91 HG LEU 25 HG LEU 25 -3.844 6.938 0.063 92 HD11 LEU 25 1HD1 LEU 25 -4.838 8.063 2.669 93 HD12 LEU 25 2HD1 LEU 25 -5.190 8.693 1.059 94 HD13 LEU 25 3HD1 LEU 25 -3.538 8.725 1.677 95 HD21 LEU 25 3HD2 LEU 25 -2.264 6.655 1.928 96 HD22 LEU 25 1HD2 LEU 25 -2.908 5.125 1.334 97 HD23 LEU 25 2HD2 LEU 25 -3.521 5.817 2.836 98 H GLN 26 H GLN 26 -7.928 6.156 0.254 99 HA GLN 26 HA GLN 26 -9.518 3.846 1.025 100 HB2 GLN 26 1HB GLN 26 -10.548 6.552 0.215 101 HB3 GLN 26 2HB GLN 26 -11.538 5.097 0.130 102 HG2 GLN 26 1HG GLN 26 -11.456 4.775 2.448 103 HG3 GLN 26 2HG GLN 26 -10.143 5.927 2.637 104 HE21 GLN 26 2HE2 GLN 26 -12.660 5.844 4.002 105 HE22 GLN 26 1HE2 GLN 26 -13.458 7.345 3.670 106 H LYS 27 H LYS 27 -10.102 2.566 -0.542 107 HA LYS 27 HA LYS 27 -8.542 2.156 -2.720 108 HB2 LYS 27 1HB LYS 27 -11.477 1.521 -2.688 109 HB3 LYS 27 2HB LYS 27 -10.237 0.700 -3.601 110 HG2 LYS 27 1HG LYS 27 -10.456 0.732 -0.608 111 HG3 LYS 27 2HG LYS 27 -10.962 -0.584 -1.668 112 HD2 LYS 27 1HD LYS 27 -8.498 -0.388 -2.534 113 HD3 LYS 27 2HD LYS 27 -8.232 0.327 -0.950 114 HE2 LYS 27 1HE LYS 27 -7.817 -2.033 -0.824 115 HE3 LYS 27 2HE LYS 27 -9.274 -1.640 0.089 116 HZ1 LYS 27 3HZ LYS 27 -10.597 -2.362 -1.813 117 HZ2 LYS 27 1HZ LYS 27 -9.600 -3.610 -1.255 118 HZ3 LYS 27 2HZ LYS 27 -9.193 -2.755 -2.661 119 H ASP 28 H ASP 28 -8.619 2.494 -4.879 120 HA ASP 28 HA ASP 28 -9.903 4.949 -5.752 121 HB2 ASP 28 1HB ASP 28 -7.492 4.335 -6.292 122 HB3 ASP 28 2HB ASP 28 -8.125 3.083 -7.350 123 H ALA 29 H ALA 29 -10.523 4.466 -8.389 124 HA ALA 29 HA ALA 29 -13.019 3.170 -8.204 125 HB1 ALA 29 3HB ALA 29 -13.152 3.485 -10.618 126 HB2 ALA 29 1HB ALA 29 -11.429 3.853 -10.676 127 HB3 ALA 29 2HB ALA 29 -12.535 4.937 -9.833 128 H GLN 30 H GLN 30 -9.861 2.000 -8.777 129 HA GLN 30 HA GLN 30 -10.771 -0.471 -10.014 130 HB2 GLN 30 1HB GLN 30 -8.780 0.947 -10.764 131 HB3 GLN 30 2HB GLN 30 -7.981 0.243 -9.384 132 HG2 GLN 30 1HG GLN 30 -8.231 -1.967 -10.269 133 HG3 GLN 30 2HG GLN 30 -9.191 -1.348 -11.613 134 HE21 GLN 30 2HE2 GLN 30 -6.425 0.369 -10.409 135 HE22 GLN 30 1HE2 GLN 30 -5.390 0.057 -11.755 136 H ASN 31 H ASN 31 -10.783 0.541 -7.015 137 HA ASN 31 HA ASN 31 -11.023 -0.551 -5.018 138 HB2 ASN 31 1HB ASN 31 -12.020 -2.359 -6.349 139 HB3 ASN 31 2HB ASN 31 -10.432 -3.050 -6.609 140 HD21 ASN 31 2HD2 ASN 31 -10.727 -4.977 -5.616 141 HD22 ASN 31 1HD2 ASN 31 -11.044 -5.171 -3.923 142 H LEU 32 H LEU 32 -8.318 0.169 -6.341 143 HA LEU 32 HA LEU 32 -6.714 -1.152 -4.268 144 HB2 LEU 32 1HB LEU 32 -4.778 -1.049 -5.903 145 HB3 LEU 32 2HB LEU 32 -5.998 -2.263 -6.185 146 HG LEU 32 HG LEU 32 -6.995 -0.792 -7.944 147 HD11 LEU 32 1HD1 LEU 32 -6.150 1.360 -7.262 148 HD12 LEU 32 2HD1 LEU 32 -5.556 0.978 -8.879 149 HD13 LEU 32 3HD1 LEU 32 -4.488 0.812 -7.486 150 HD21 LEU 32 3HD2 LEU 32 -5.548 -2.653 -8.503 151 HD22 LEU 32 1HD2 LEU 32 -4.126 -1.631 -8.295 152 HD23 LEU 32 2HD2 LEU 32 -5.265 -1.301 -9.601 153 H ILE 33 H ILE 33 -4.314 0.089 -4.543 154 HA ILE 33 HA ILE 33 -5.094 2.807 -3.745 155 HB ILE 33 HB ILE 33 -2.419 2.208 -2.984 156 HG12 ILE 33 1HG1 ILE 33 -4.424 0.152 -2.016 157 HG13 ILE 33 2HG1 ILE 33 -3.161 -0.181 -3.203 158 HG21 ILE 33 1HG2 ILE 33 -3.804 3.827 -1.891 159 HG22 ILE 33 2HG2 ILE 33 -3.382 2.573 -0.725 160 HG23 ILE 33 3HG2 ILE 33 -4.986 2.590 -1.463 161 HD11 ILE 33 3HD1 ILE 33 -2.509 -0.947 -0.998 162 HD12 ILE 33 1HD1 ILE 33 -2.751 0.666 -0.328 163 HD13 ILE 33 2HD1 ILE 33 -1.469 0.382 -1.505 164 H GLY 34 H GLY 34 -3.150 0.988 -5.966 165 HA2 GLY 34 1HA GLY 34 -2.412 1.935 -8.019 166 HA3 GLY 34 2HA GLY 34 -2.417 3.527 -7.265 167 H ILE 35 H ILE 35 -0.925 0.532 -6.101 168 HA ILE 35 HA ILE 35 1.722 1.817 -6.395 169 HB ILE 35 HB ILE 35 2.368 0.728 -4.238 170 HG12 ILE 35 1HG1 ILE 35 0.197 0.448 -2.724 171 HG13 ILE 35 2HG1 ILE 35 -0.531 0.024 -4.268 172 HG21 ILE 35 1HG2 ILE 35 1.223 2.421 -2.808 173 HG22 ILE 35 2HG2 ILE 35 0.252 2.855 -4.218 174 HG23 ILE 35 3HG2 ILE 35 2.005 3.062 -4.252 175 HD11 ILE 35 3HD1 ILE 35 1.899 -1.292 -3.109 176 HD12 ILE 35 1HD1 ILE 35 1.025 -1.774 -4.568 177 HD13 ILE 35 2HD1 ILE 35 0.250 -1.914 -2.988 178 H SER 36 H SER 36 3.478 0.172 -5.899 179 HA SER 36 HA SER 36 2.788 -2.547 -6.668 180 HB2 SER 36 1HB SER 36 4.801 -0.805 -8.076 181 HB3 SER 36 2HB SER 36 4.875 -2.571 -8.142 182 HG SER 36 HG SER 36 2.441 -2.137 -8.646 183 H ILE 37 H ILE 37 3.758 -4.010 -5.503 184 HA ILE 37 HA ILE 37 5.831 -3.086 -3.615 185 HB ILE 37 HB ILE 37 3.736 -5.208 -3.142 186 HG12 ILE 37 1HG1 ILE 37 2.781 -2.962 -3.125 187 HG13 ILE 37 2HG1 ILE 37 2.789 -3.654 -1.507 188 HG21 ILE 37 1HG2 ILE 37 4.544 -5.220 -0.825 189 HG22 ILE 37 2HG2 ILE 37 5.831 -4.105 -1.284 190 HG23 ILE 37 3HG2 ILE 37 5.788 -5.731 -1.965 191 HD11 ILE 37 3HD1 ILE 37 3.414 -1.331 -1.422 192 HD12 ILE 37 1HD1 ILE 37 4.708 -1.607 -2.587 193 HD13 ILE 37 2HD1 ILE 37 4.796 -2.337 -0.985 194 H GLY 38 H GLY 38 7.577 -4.302 -3.254 195 HA2 GLY 38 1HA GLY 38 7.854 -7.046 -3.730 196 HA3 GLY 38 2HA GLY 38 8.510 -6.162 -5.101 197 H GLY 39 H GLY 39 9.397 -7.594 -2.322 198 HA2 GLY 39 1HA GLY 39 11.319 -5.654 -1.402 199 HA3 GLY 39 2HA GLY 39 11.207 -7.336 -0.896 200 H GLY 40 H GLY 40 13.597 -5.795 -1.632 201 HA2 GLY 40 1HA GLY 40 14.612 -7.647 -3.643 202 HA3 GLY 40 2HA GLY 40 14.596 -5.956 -4.109 203 H ALA 41 H ALA 41 15.352 -7.371 -0.928 204 HA ALA 41 HA ALA 41 17.970 -6.064 -1.058 205 HB1 ALA 41 3HB ALA 41 16.669 -7.615 1.174 206 HB2 ALA 41 1HB ALA 41 16.760 -5.862 1.028 207 HB3 ALA 41 2HB ALA 41 18.229 -6.804 1.278 208 H GLN 42 H GLN 42 16.541 -9.093 -1.557 209 HA GLN 42 HA GLN 42 18.837 -10.274 -2.643 210 HB2 GLN 42 1HB GLN 42 19.504 -10.505 -0.267 211 HB3 GLN 42 2HB GLN 42 18.017 -11.382 0.056 212 HG2 GLN 42 1HG GLN 42 18.735 -13.130 -1.523 213 HG3 GLN 42 2HG GLN 42 20.250 -12.261 -1.759 214 HE21 GLN 42 2HE2 GLN 42 18.356 -14.181 0.414 215 HE22 GLN 42 1HE2 GLN 42 19.613 -14.501 1.557 216 H TYR 43 H TYR 43 16.128 -11.485 -0.667 217 HA TYR 43 HA TYR 43 15.077 -12.800 -3.069 218 HB2 TYR 43 1HB TYR 43 15.476 -14.098 -0.893 219 HB3 TYR 43 2HB TYR 43 14.090 -13.222 -0.250 220 HD1 TYR 43 HD2 TYR 43 14.973 -15.133 -3.337 221 HD2 TYR 43 HD1 TYR 43 12.071 -14.342 -0.329 222 HE1 TYR 43 HE2 TYR 43 13.485 -16.808 -4.340 223 HE2 TYR 43 HE1 TYR 43 10.573 -16.017 -1.327 224 HH TYR 43 HH TYR 43 10.196 -17.150 -3.399 225 H CYS 44 H CYS 44 13.494 -11.422 -0.162 226 HA CYS 44 HA CYS 44 12.199 -9.430 -1.858 227 HB2 CYS 44 1HB CYS 44 10.668 -11.370 -0.154 228 HB3 CYS 44 2HB CYS 44 9.964 -9.987 -0.976 229 HG CYS 44 HG CYS 44 11.537 -11.616 -3.261 230 HA PRO 45 HA PRO 45 12.415 -7.822 2.547 231 HB2 PRO 45 1HB PRO 45 15.170 -7.521 3.052 232 HB3 PRO 45 2HB PRO 45 14.095 -8.718 3.774 233 HG2 PRO 45 1HG PRO 45 16.228 -9.268 2.052 234 HG3 PRO 45 2HG PRO 45 14.916 -10.377 2.466 235 HD2 PRO 45 1HD PRO 45 15.225 -8.636 0.060 236 HD3 PRO 45 2HD PRO 45 14.581 -10.286 0.184 237 H CYS 46 H CYS 46 12.814 -5.641 3.158 238 HA CYS 46 HA CYS 46 13.305 -3.440 2.957 239 HB2 CYS 46 1HB CYS 46 15.392 -4.346 0.972 240 HB3 CYS 46 2HB CYS 46 15.283 -2.739 1.680 241 HG CYS 46 HG CYS 46 17.239 -3.603 3.201 242 H LEU 47 H LEU 47 13.401 -1.594 1.394 243 HA LEU 47 HA LEU 47 12.288 -0.286 -0.026 244 HB2 LEU 47 1HB LEU 47 12.029 -1.264 -2.442 245 HB3 LEU 47 2HB LEU 47 13.577 -0.750 -1.814 246 HG LEU 47 HG LEU 47 12.896 -3.615 -1.472 247 HD11 LEU 47 1HD1 LEU 47 13.586 -4.148 -3.750 248 HD12 LEU 47 2HD1 LEU 47 13.671 -2.429 -4.138 249 HD13 LEU 47 3HD1 LEU 47 12.117 -3.170 -3.754 250 HD21 LEU 47 3HD2 LEU 47 15.385 -2.138 -2.318 251 HD22 LEU 47 1HD2 LEU 47 15.270 -3.863 -1.970 252 HD23 LEU 47 2HD2 LEU 47 15.011 -2.686 -0.684 253 H TYR 48 H TYR 48 10.942 -3.408 -1.107 254 HA TYR 48 HA TYR 48 8.832 -4.073 -1.453 255 HB2 TYR 48 1HB TYR 48 8.035 -2.064 0.646 256 HB3 TYR 48 2HB TYR 48 7.154 -3.514 0.163 257 HD1 TYR 48 HD1 TYR 48 8.430 -5.765 0.430 258 HD2 TYR 48 HD2 TYR 48 9.510 -2.176 2.429 259 HE1 TYR 48 HE1 TYR 48 9.703 -7.063 2.071 260 HE2 TYR 48 HE2 TYR 48 10.776 -3.467 4.075 261 HH TYR 48 HH TYR 48 10.825 -5.730 4.998 262 H ILE 49 H ILE 49 8.433 -0.440 -1.027 263 HA ILE 49 HA ILE 49 6.487 -0.755 -3.169 264 HB ILE 49 HB ILE 49 6.118 0.707 -1.067 265 HG12 ILE 49 1HG1 ILE 49 4.796 0.497 -3.314 266 HG13 ILE 49 2HG1 ILE 49 4.395 1.774 -2.176 267 HG21 ILE 49 1HG2 ILE 49 8.114 2.074 -1.223 268 HG22 ILE 49 2HG2 ILE 49 6.663 3.070 -1.348 269 HG23 ILE 49 3HG2 ILE 49 7.590 2.674 -2.797 270 HD11 ILE 49 3HD1 ILE 49 6.035 2.009 -4.692 271 HD12 ILE 49 1HD1 ILE 49 5.827 3.310 -3.517 272 HD13 ILE 49 2HD1 ILE 49 4.429 2.677 -4.392 273 H VAL 50 H VAL 50 7.068 -0.749 -5.144 274 HA VAL 50 HA VAL 50 9.682 0.365 -5.866 275 HB VAL 50 HB VAL 50 7.973 -1.619 -7.382 276 HG11 VAL 50 1HG1 VAL 50 9.524 -0.422 -8.825 277 HG12 VAL 50 2HG1 VAL 50 10.025 -2.103 -8.632 278 HG13 VAL 50 3HG1 VAL 50 10.861 -0.827 -7.747 279 HG21 VAL 50 3HG2 VAL 50 10.340 -2.107 -5.577 280 HG22 VAL 50 1HG2 VAL 50 9.530 -3.325 -6.562 281 HG23 VAL 50 2HG2 VAL 50 8.665 -2.542 -5.240 282 H GLN 51 H GLN 51 6.289 0.801 -6.474 283 HA GLN 51 HA GLN 51 6.847 2.978 -8.257 284 HB2 GLN 51 1HB GLN 51 6.679 1.832 -10.170 285 HB3 GLN 51 2HB GLN 51 6.182 0.372 -9.331 286 HG2 GLN 51 1HG GLN 51 3.898 1.035 -9.379 287 HG3 GLN 51 2HG GLN 51 4.316 2.625 -10.014 288 HE21 GLN 51 2HE2 GLN 51 2.585 0.504 -11.071 289 HE22 GLN 51 1HE2 GLN 51 3.180 0.177 -12.655 290 H VAL 52 H VAL 52 5.227 4.433 -8.347 291 HA VAL 52 HA VAL 52 2.568 3.663 -7.405 292 HB VAL 52 HB VAL 52 3.915 4.773 -5.535 293 HG11 VAL 52 1HG1 VAL 52 3.594 7.114 -7.386 294 HG12 VAL 52 2HG1 VAL 52 5.075 6.496 -6.651 295 HG13 VAL 52 3HG1 VAL 52 3.856 7.297 -5.652 296 HG21 VAL 52 3HG2 VAL 52 1.580 4.574 -5.293 297 HG22 VAL 52 1HG2 VAL 52 1.282 5.850 -6.469 298 HG23 VAL 52 2HG2 VAL 52 1.978 6.245 -4.898 299 H PHE 53 H PHE 53 0.940 5.271 -8.102 300 HA PHE 53 HA PHE 53 1.742 6.452 -10.649 301 HB2 PHE 53 1HB PHE 53 -1.011 5.979 -9.494 302 HB3 PHE 53 2HB PHE 53 -0.685 6.655 -11.088 303 HD1 PHE 53 HD2 PHE 53 0.741 5.224 -12.686 304 HD2 PHE 53 HD1 PHE 53 -1.215 3.681 -9.239 305 HE1 PHE 53 HE2 PHE 53 0.879 2.955 -13.628 306 HE2 PHE 53 HE1 PHE 53 -1.080 1.410 -10.172 307 HZ PHE 53 HZ PHE 53 -0.033 1.044 -12.371 308 H ASP 54 H ASP 54 -0.805 8.286 -10.193 309 HA ASP 54 HA ASP 54 0.518 10.215 -8.411 310 HB2 ASP 54 1HB ASP 54 1.084 10.680 -10.783 311 HB3 ASP 54 2HB ASP 54 -0.627 10.905 -11.116 312 H ASN 55 H ASN 55 -2.451 9.134 -9.875 313 HA ASN 55 HA ASN 55 -3.984 11.216 -8.537 314 HB2 ASN 55 1HB ASN 55 -4.710 9.373 -10.821 315 HB3 ASN 55 2HB ASN 55 -5.833 10.498 -10.064 316 HD21 ASN 55 2HD2 ASN 55 -2.984 10.183 -12.034 317 HD22 ASN 55 1HD2 ASN 55 -2.996 11.798 -12.647 318 H THR 56 H THR 56 -2.885 8.269 -7.943 319 HA THR 56 HA THR 56 -5.359 6.986 -7.134 320 HB THR 56 HB THR 56 -3.981 5.048 -6.655 321 HG1 THR 56 HG1 THR 56 -1.908 5.236 -6.239 322 HG21 THR 56 3HG2 THR 56 -4.528 5.429 -9.004 323 HG22 THR 56 1HG2 THR 56 -2.952 4.658 -8.831 324 HG23 THR 56 2HG2 THR 56 -3.054 6.379 -9.187 325 HA PRO 57 HA PRO 57 -5.433 8.584 -3.081 326 HB2 PRO 57 1HB PRO 57 -5.566 6.154 -1.639 327 HB3 PRO 57 2HB PRO 57 -6.931 7.116 -2.198 328 HG2 PRO 57 1HG PRO 57 -5.684 4.705 -3.418 329 HG3 PRO 57 2HG PRO 57 -7.380 5.209 -3.407 330 HD2 PRO 57 1HD PRO 57 -5.887 5.463 -5.600 331 HD3 PRO 57 2HD PRO 57 -7.073 6.711 -5.154 332 H ALA 58 H ALA 58 -3.454 5.692 -3.498 333 HA ALA 58 HA ALA 58 -1.671 6.008 -1.375 334 HB1 ALA 58 3HB ALA 58 -1.168 4.774 -4.071 335 HB2 ALA 58 1HB ALA 58 -1.851 3.964 -2.663 336 HB3 ALA 58 2HB ALA 58 -0.186 4.535 -2.626 337 H ALA 59 H ALA 59 -1.253 7.057 -4.805 338 HA ALA 59 HA ALA 59 1.242 8.376 -4.213 339 HB1 ALA 59 3HB ALA 59 -0.650 8.651 -6.552 340 HB2 ALA 59 1HB ALA 59 0.756 7.593 -6.458 341 HB3 ALA 59 2HB ALA 59 0.974 9.339 -6.466 342 H LEU 60 H LEU 60 -1.953 9.435 -5.086 343 HA LEU 60 HA LEU 60 -1.919 12.117 -4.966 344 HB2 LEU 60 1HB LEU 60 -3.726 10.292 -5.350 345 HB3 LEU 60 2HB LEU 60 -4.093 10.526 -3.656 346 HG LEU 60 HG LEU 60 -5.619 11.726 -5.126 347 HD11 LEU 60 1HD1 LEU 60 -3.878 13.543 -3.474 348 HD12 LEU 60 2HD1 LEU 60 -5.239 12.583 -2.894 349 HD13 LEU 60 3HD1 LEU 60 -5.513 13.905 -4.029 350 HD21 LEU 60 3HD2 LEU 60 -3.943 12.141 -6.910 351 HD22 LEU 60 1HD2 LEU 60 -3.249 13.411 -5.902 352 HD23 LEU 60 2HD2 LEU 60 -4.908 13.558 -6.485 353 H ASP 61 H ASP 61 -3.261 10.400 -2.148 354 HA ASP 61 HA ASP 61 -2.439 12.662 -0.485 355 HB2 ASP 61 1HB ASP 61 -4.825 12.026 -0.492 356 HB3 ASP 61 2HB ASP 61 -4.390 10.443 0.145 357 H GLY 62 H GLY 62 -2.058 9.204 -0.791 358 HA2 GLY 62 1HA GLY 62 -1.292 8.741 1.921 359 HA3 GLY 62 2HA GLY 62 -1.131 7.608 0.592 360 H THR 63 H THR 63 0.481 9.761 -0.791 361 HA THR 63 HA THR 63 2.651 9.988 -1.319 362 HB THR 63 HB THR 63 2.406 11.781 0.346 363 HG1 THR 63 HG1 THR 63 4.953 10.494 0.358 364 HG21 THR 63 3HG2 THR 63 3.366 11.527 2.580 365 HG22 THR 63 1HG2 THR 63 3.630 9.812 2.272 366 HG23 THR 63 2HG2 THR 63 1.989 10.449 2.350 367 H VAL 64 H VAL 64 1.885 7.324 -0.717 368 HA VAL 64 HA VAL 64 4.329 6.191 0.400 369 HB VAL 64 HB VAL 64 3.192 3.975 0.086 370 HG11 VAL 64 1HG1 VAL 64 1.710 5.935 1.797 371 HG12 VAL 64 2HG1 VAL 64 3.374 5.445 2.111 372 HG13 VAL 64 3HG1 VAL 64 2.080 4.241 2.143 373 HG21 VAL 64 3HG2 VAL 64 1.515 4.661 -1.581 374 HG22 VAL 64 1HG2 VAL 64 0.772 5.726 -0.389 375 HG23 VAL 64 2HG2 VAL 64 0.758 3.979 -0.140 376 H ALA 65 H ALA 65 5.139 7.397 -1.438 377 HA ALA 65 HA ALA 65 4.684 6.308 -4.081 378 HB1 ALA 65 3HB ALA 65 6.472 8.566 -3.184 379 HB2 ALA 65 1HB ALA 65 4.805 8.730 -3.739 380 HB3 ALA 65 2HB ALA 65 6.054 8.169 -4.850 381 H ALA 66 H ALA 66 6.598 5.977 -5.511 382 HA ALA 66 HA ALA 66 8.000 3.739 -4.648 383 HB1 ALA 66 3HB ALA 66 8.734 5.560 -6.929 384 HB2 ALA 66 1HB ALA 66 7.491 4.316 -6.998 385 HB3 ALA 66 2HB ALA 66 9.176 3.865 -6.744 386 H GLY 67 H GLY 67 9.388 3.789 -3.005 387 HA2 GLY 67 1HA GLY 67 11.892 4.486 -2.862 388 HA3 GLY 67 2HA GLY 67 11.182 6.089 -2.733 389 H ASP 68 H ASP 68 8.908 4.374 -1.275 390 HA ASP 68 HA ASP 68 10.159 4.638 1.369 391 HB2 ASP 68 1HB ASP 68 7.300 4.546 0.432 392 HB3 ASP 68 2HB ASP 68 7.701 4.174 2.098 393 H GLU 69 H GLU 69 9.151 2.879 2.961 394 HA GLU 69 HA GLU 69 9.301 0.305 1.539 395 HB2 GLU 69 1HB GLU 69 10.339 0.868 4.322 396 HB3 GLU 69 2HB GLU 69 10.394 -0.679 3.492 397 HG2 GLU 69 1HG GLU 69 11.837 0.369 1.764 398 HG3 GLU 69 2HG GLU 69 11.869 1.834 2.744 399 H ILE 70 H ILE 70 7.902 -1.289 2.145 400 HA ILE 70 HA ILE 70 5.740 -0.482 4.002 401 HB ILE 70 HB ILE 70 5.413 -2.358 1.665 402 HG12 ILE 70 1HG1 ILE 70 6.042 -0.106 0.851 403 HG13 ILE 70 2HG1 ILE 70 4.407 -0.564 0.394 404 HG21 ILE 70 1HG2 ILE 70 3.774 -2.625 3.425 405 HG22 ILE 70 2HG2 ILE 70 3.022 -1.925 1.992 406 HG23 ILE 70 3HG2 ILE 70 3.410 -0.901 3.373 407 HD11 ILE 70 3HD1 ILE 70 3.546 0.808 2.239 408 HD12 ILE 70 1HD1 ILE 70 4.461 1.737 1.050 409 HD13 ILE 70 2HD1 ILE 70 5.197 1.314 2.599 410 H THR 71 H THR 71 5.624 -1.775 5.791 411 HA THR 71 HA THR 71 6.875 -4.421 5.578 412 HB THR 71 HB THR 71 8.001 -3.132 7.256 413 HG1 THR 71 HG1 THR 71 6.389 -4.747 8.888 414 HG21 THR 71 3HG2 THR 71 6.678 -2.484 9.364 415 HG22 THR 71 1HG2 THR 71 5.253 -2.573 8.328 416 HG23 THR 71 2HG2 THR 71 6.561 -1.432 7.948 417 H GLY 72 H GLY 72 3.847 -2.808 6.329 418 HA2 GLY 72 1HA GLY 72 2.642 -5.458 6.384 419 HA3 GLY 72 2HA GLY 72 2.448 -4.494 7.841 420 H VAL 73 H VAL 73 0.471 -5.573 6.202 421 HA VAL 73 HA VAL 73 -0.856 -3.187 5.119 422 HB VAL 73 HB VAL 73 -2.261 -4.645 3.848 423 HG11 VAL 73 1HG1 VAL 73 -0.695 -5.860 2.455 424 HG12 VAL 73 2HG1 VAL 73 0.533 -5.720 3.720 425 HG13 VAL 73 3HG1 VAL 73 -0.061 -4.273 2.896 426 HG21 VAL 73 3HG2 VAL 73 -0.950 -7.014 5.177 427 HG22 VAL 73 1HG2 VAL 73 -2.254 -7.052 3.990 428 HG23 VAL 73 2HG2 VAL 73 -2.548 -6.382 5.596 429 H ASN 74 H ASN 74 -2.777 -2.581 6.070 430 HA ASN 74 HA ASN 74 -4.599 -2.629 7.442 431 HB2 ASN 74 1HB ASN 74 -4.604 -5.003 6.199 432 HB3 ASN 74 2HB ASN 74 -4.384 -5.563 7.846 433 HD21 ASN 74 2HD2 ASN 74 -6.236 -2.771 6.837 434 HD22 ASN 74 1HD2 ASN 74 -7.749 -3.400 7.365 435 H GLY 75 H GLY 75 -1.716 -2.727 8.476 436 HA2 GLY 75 1HA GLY 75 -1.081 -2.168 10.697 437 HA3 GLY 75 2HA GLY 75 -2.426 -3.127 11.292 438 H ARG 76 H ARG 76 -1.360 -5.225 9.169 439 HA ARG 76 HA ARG 76 0.530 -6.432 11.034 440 HB2 ARG 76 1HB ARG 76 -0.564 -8.517 9.883 441 HB3 ARG 76 2HB ARG 76 -1.334 -7.719 11.234 442 HG2 ARG 76 1HG ARG 76 -2.626 -6.393 9.514 443 HG3 ARG 76 2HG ARG 76 -2.017 -7.545 8.326 444 HD2 ARG 76 1HD ARG 76 -3.116 -9.349 9.370 445 HD3 ARG 76 2HD ARG 76 -3.457 -8.404 10.816 446 HE ARG 76 HE ARG 76 -4.873 -7.015 9.168 447 HH11 ARG 76 1HH1 ARG 76 -4.388 -10.468 8.960 448 HH12 ARG 76 2HH1 ARG 76 -5.971 -10.780 8.318 449 HH21 ARG 76 1HH2 ARG 76 -6.949 -7.406 8.298 450 HH22 ARG 76 2HH2 ARG 76 -7.429 -9.041 7.950 451 H SER 77 H SER 77 2.306 -7.436 10.250 452 HA SER 77 HA SER 77 3.599 -6.458 8.037 453 HB2 SER 77 1HB SER 77 4.052 -9.114 9.403 454 HB3 SER 77 2HB SER 77 5.226 -8.247 8.415 455 HG SER 77 HG SER 77 5.589 -7.799 10.594 456 H ILE 78 H ILE 78 4.060 -7.132 5.969 457 HA ILE 78 HA ILE 78 1.915 -8.666 4.745 458 HB ILE 78 HB ILE 78 2.537 -7.860 2.686 459 HG12 ILE 78 1HG1 ILE 78 4.959 -8.598 2.883 460 HG13 ILE 78 2HG1 ILE 78 4.678 -7.132 1.956 461 HG21 ILE 78 1HG2 ILE 78 3.702 -5.574 4.196 462 HG22 ILE 78 2HG2 ILE 78 2.058 -6.082 4.554 463 HG23 ILE 78 3HG2 ILE 78 2.485 -5.575 2.919 464 HD11 ILE 78 3HD1 ILE 78 5.613 -7.221 4.816 465 HD12 ILE 78 1HD1 ILE 78 5.421 -5.780 3.818 466 HD13 ILE 78 2HD1 ILE 78 6.647 -6.979 3.406 467 H LYS 79 H LYS 79 5.189 -9.013 5.662 468 HA LYS 79 HA LYS 79 6.078 -10.959 3.849 469 HB2 LYS 79 1HB LYS 79 7.541 -9.574 5.253 470 HB3 LYS 79 2HB LYS 79 6.941 -10.392 6.686 471 HG2 LYS 79 1HG LYS 79 7.914 -12.491 5.893 472 HG3 LYS 79 2HG LYS 79 8.501 -11.672 4.447 473 HD2 LYS 79 1HD LYS 79 10.270 -11.923 6.120 474 HD3 LYS 79 2HD LYS 79 9.902 -10.224 5.819 475 HE2 LYS 79 1HE LYS 79 10.199 -10.674 8.206 476 HE3 LYS 79 2HE LYS 79 8.561 -10.136 7.849 477 HZ1 LYS 79 3HZ LYS 79 7.801 -12.409 7.975 478 HZ2 LYS 79 1HZ LYS 79 8.616 -12.007 9.400 479 HZ3 LYS 79 2HZ LYS 79 9.374 -12.967 8.235 480 H GLY 80 H GLY 80 3.865 -11.107 6.386 481 HA2 GLY 80 1HA GLY 80 4.125 -13.762 7.241 482 HA3 GLY 80 2HA GLY 80 2.653 -12.807 7.298 483 H LYS 81 H LYS 81 2.671 -12.396 4.309 484 HA LYS 81 HA LYS 81 1.950 -15.175 3.642 485 HB2 LYS 81 1HB LYS 81 0.174 -14.198 2.104 486 HB3 LYS 81 2HB LYS 81 -0.140 -14.164 3.827 487 HG2 LYS 81 1HG LYS 81 1.022 -11.796 2.443 488 HG3 LYS 81 2HG LYS 81 -0.710 -12.102 2.404 489 HD2 LYS 81 1HD LYS 81 0.822 -12.023 4.982 490 HD3 LYS 81 2HD LYS 81 0.231 -10.548 4.220 491 HE2 LYS 81 1HE LYS 81 -1.374 -11.250 5.858 492 HE3 LYS 81 2HE LYS 81 -2.060 -11.518 4.261 493 HZ1 LYS 81 3HZ LYS 81 -2.439 -13.351 5.852 494 HZ2 LYS 81 1HZ LYS 81 -0.775 -13.645 5.885 495 HZ3 LYS 81 2HZ LYS 81 -1.646 -13.843 4.449 496 H THR 82 H THR 82 1.418 -12.975 1.071 497 HA THR 82 HA THR 82 3.937 -13.445 -0.233 498 HB THR 82 HB THR 82 1.606 -14.961 -1.409 499 HG1 THR 82 HG1 THR 82 1.811 -16.296 0.233 500 HG21 THR 82 3HG2 THR 82 4.591 -15.278 -1.736 501 HG22 THR 82 1HG2 THR 82 3.525 -14.431 -2.855 502 HG23 THR 82 2HG2 THR 82 3.343 -16.168 -2.609 503 H LYS 83 H LYS 83 3.952 -12.366 -2.292 504 HA LYS 83 HA LYS 83 2.736 -10.002 -2.557 505 HB2 LYS 83 1HB LYS 83 2.895 -11.370 -5.159 506 HB3 LYS 83 2HB LYS 83 3.653 -9.883 -4.629 507 HG2 LYS 83 1HG LYS 83 5.255 -11.294 -3.365 508 HG3 LYS 83 2HG LYS 83 4.596 -12.675 -4.226 509 HD2 LYS 83 1HD LYS 83 5.118 -11.640 -6.358 510 HD3 LYS 83 2HD LYS 83 5.745 -10.213 -5.531 511 HE2 LYS 83 1HE LYS 83 6.838 -12.906 -4.938 512 HE3 LYS 83 2HE LYS 83 7.371 -12.032 -6.370 513 HZ1 LYS 83 3HZ LYS 83 8.764 -11.704 -4.337 514 HZ2 LYS 83 1HZ LYS 83 7.462 -10.888 -3.639 515 HZ3 LYS 83 2HZ LYS 83 8.194 -10.276 -5.037 516 H VAL 84 H VAL 84 1.552 -12.874 -4.246 517 HA VAL 84 HA VAL 84 -0.719 -11.794 -5.370 518 HB VAL 84 HB VAL 84 0.151 -13.927 -6.051 519 HG11 VAL 84 1HG1 VAL 84 0.921 -14.659 -3.810 520 HG12 VAL 84 2HG1 VAL 84 0.039 -15.907 -4.689 521 HG13 VAL 84 3HG1 VAL 84 -0.754 -15.015 -3.392 522 HG21 VAL 84 3HG2 VAL 84 -2.185 -13.526 -6.436 523 HG22 VAL 84 1HG2 VAL 84 -2.574 -14.169 -4.844 524 HG23 VAL 84 2HG2 VAL 84 -1.911 -15.232 -6.085 525 H GLU 85 H GLU 85 -0.218 -12.865 -2.104 526 HA GLU 85 HA GLU 85 -3.075 -12.991 -1.490 527 HB2 GLU 85 1HB GLU 85 -0.675 -13.410 0.302 528 HB3 GLU 85 2HB GLU 85 -2.329 -13.877 0.639 529 HG2 GLU 85 1HG GLU 85 -2.195 -15.417 -1.324 530 HG3 GLU 85 2HG GLU 85 -0.482 -15.037 -1.416 531 H VAL 86 H VAL 86 -0.319 -11.171 -1.283 532 HA VAL 86 HA VAL 86 -0.904 -9.468 0.900 533 HB VAL 86 HB VAL 86 1.220 -10.183 -0.863 534 HG11 VAL 86 1HG1 VAL 86 0.933 -8.149 -2.000 535 HG12 VAL 86 2HG1 VAL 86 2.414 -8.120 -1.044 536 HG13 VAL 86 3HG1 VAL 86 0.987 -7.239 -0.486 537 HG21 VAL 86 3HG2 VAL 86 2.593 -9.135 0.975 538 HG22 VAL 86 1HG2 VAL 86 1.542 -10.490 1.371 539 HG23 VAL 86 2HG2 VAL 86 1.049 -8.852 1.788 540 H ALA 87 H ALA 87 -0.940 -9.085 -2.658 541 HA ALA 87 HA ALA 87 -2.146 -6.494 -2.660 542 HB1 ALA 87 3HB ALA 87 -2.136 -8.672 -4.755 543 HB2 ALA 87 1HB ALA 87 -1.017 -7.316 -4.631 544 HB3 ALA 87 2HB ALA 87 -2.714 -7.024 -5.009 545 H LYS 88 H LYS 88 -3.331 -9.799 -2.545 546 HA LYS 88 HA LYS 88 -6.061 -9.303 -2.917 547 HB2 LYS 88 1HB LYS 88 -5.105 -11.562 -2.912 548 HB3 LYS 88 2HB LYS 88 -4.783 -11.420 -1.189 549 HG2 LYS 88 1HG LYS 88 -7.059 -11.408 -0.667 550 HG3 LYS 88 2HG LYS 88 -7.531 -11.140 -2.336 551 HD2 LYS 88 1HD LYS 88 -7.963 -13.422 -1.898 552 HD3 LYS 88 2HD LYS 88 -6.488 -13.360 -2.866 553 HE2 LYS 88 1HE LYS 88 -6.049 -14.909 -1.150 554 HE3 LYS 88 2HE LYS 88 -5.225 -13.418 -0.699 555 HZ1 LYS 88 3HZ LYS 88 -6.374 -14.382 1.189 556 HZ2 LYS 88 1HZ LYS 88 -7.845 -14.325 0.357 557 HZ3 LYS 88 2HZ LYS 88 -7.060 -12.892 0.783 558 H MET 89 H MET 89 -4.199 -9.607 0.102 559 HA MET 89 HA MET 89 -6.039 -9.058 2.002 560 HB2 MET 89 1HB MET 89 -3.206 -8.199 1.761 561 HB3 MET 89 2HB MET 89 -4.154 -7.873 3.208 562 HG2 MET 89 1HG MET 89 -3.717 -10.587 1.999 563 HG3 MET 89 2HG MET 89 -2.831 -9.913 3.346 564 HE1 MET 89 3HE MET 89 -5.531 -9.634 6.133 565 HE2 MET 89 1HE MET 89 -5.076 -8.370 4.989 566 HE3 MET 89 2HE MET 89 -3.837 -9.399 5.707 567 H ILE 90 H ILE 90 -4.203 -6.635 0.213 568 HA ILE 90 HA ILE 90 -5.365 -4.352 1.327 569 HB ILE 90 HB ILE 90 -4.045 -4.867 -1.324 570 HG12 ILE 90 1HG1 ILE 90 -2.631 -4.999 0.670 571 HG13 ILE 90 2HG1 ILE 90 -2.187 -3.622 -0.333 572 HG21 ILE 90 1HG2 ILE 90 -4.684 -2.111 -0.304 573 HG22 ILE 90 2HG2 ILE 90 -5.716 -2.966 -1.452 574 HG23 ILE 90 3HG2 ILE 90 -4.043 -2.589 -1.885 575 HD11 ILE 90 3HD1 ILE 90 -2.127 -2.996 1.985 576 HD12 ILE 90 1HD1 ILE 90 -3.785 -3.546 2.215 577 HD13 ILE 90 2HD1 ILE 90 -3.455 -2.153 1.187 578 H GLN 91 H GLN 91 -6.217 -6.071 -1.709 579 HA GLN 91 HA GLN 91 -8.277 -4.182 -2.265 580 HB2 GLN 91 1HB GLN 91 -8.603 -5.357 -4.263 581 HB3 GLN 91 2HB GLN 91 -6.886 -5.455 -3.950 582 HG2 GLN 91 1HG GLN 91 -7.478 -7.715 -2.850 583 HG3 GLN 91 2HG GLN 91 -8.963 -7.581 -3.774 584 HE21 GLN 91 2HE2 GLN 91 -5.853 -6.381 -4.847 585 HE22 GLN 91 1HE2 GLN 91 -5.665 -7.492 -6.153 586 H GLU 92 H GLU 92 -8.109 -7.174 -0.552 587 HA GLU 92 HA GLU 92 -10.793 -8.024 -0.863 588 HB2 GLU 92 1HB GLU 92 -9.003 -9.530 -0.159 589 HB3 GLU 92 2HB GLU 92 -8.804 -8.626 1.329 590 HG2 GLU 92 1HG GLU 92 -10.037 -10.561 1.838 591 HG3 GLU 92 2HG GLU 92 -11.152 -9.207 1.878 592 H VAL 93 H VAL 93 -9.145 -6.410 1.854 593 HA VAL 93 HA VAL 93 -11.265 -6.135 3.576 594 HB VAL 93 HB VAL 93 -10.176 -4.233 4.601 595 HG11 VAL 93 1HG1 VAL 93 -8.181 -6.253 3.596 596 HG12 VAL 93 2HG1 VAL 93 -9.221 -6.423 5.009 597 HG13 VAL 93 3HG1 VAL 93 -7.956 -5.195 4.990 598 HG21 VAL 93 3HG2 VAL 93 -8.223 -3.147 3.639 599 HG22 VAL 93 1HG2 VAL 93 -9.624 -2.957 2.578 600 HG23 VAL 93 2HG2 VAL 93 -8.372 -4.137 2.184 601 H LYS 94 H LYS 94 -10.487 -4.087 0.818 602 HA LYS 94 HA LYS 94 -11.836 -2.928 -0.588 603 HB2 LYS 94 1HB LYS 94 -13.287 -4.952 -0.234 604 HB3 LYS 94 2HB LYS 94 -14.143 -4.054 1.004 605 HG2 LYS 94 1HG LYS 94 -13.931 -3.000 -1.791 606 HG3 LYS 94 2HG LYS 94 -15.140 -4.206 -1.362 607 HD2 LYS 94 1HD LYS 94 -14.818 -1.498 -0.071 608 HD3 LYS 94 2HD LYS 94 -16.040 -1.928 -1.268 609 HE2 LYS 94 1HE LYS 94 -15.740 -3.101 1.495 610 HE3 LYS 94 2HE LYS 94 -16.987 -1.980 0.962 611 HZ1 LYS 94 3HZ LYS 94 -17.774 -3.666 -0.593 612 HZ2 LYS 94 1HZ LYS 94 -17.815 -4.229 1.001 613 HZ3 LYS 94 2HZ LYS 94 -16.592 -4.744 -0.041 614 H GLY 95 H GLY 95 -12.406 -0.833 -0.718 615 HA2 GLY 95 1HA GLY 95 -13.647 1.064 -0.134 616 HA3 GLY 95 2HA GLY 95 -13.936 0.365 1.447 617 H GLU 96 H GLU 96 -11.077 -0.178 1.927 618 HA GLU 96 HA GLU 96 -9.983 2.505 2.094 619 HB2 GLU 96 1HB GLU 96 -9.691 2.370 4.490 620 HB3 GLU 96 2HB GLU 96 -11.394 2.132 4.109 621 HG2 GLU 96 1HG GLU 96 -11.067 -0.279 4.237 622 HG3 GLU 96 2HG GLU 96 -9.402 -0.030 4.695 623 H VAL 97 H VAL 97 -7.836 2.276 3.355 624 HA VAL 97 HA VAL 97 -6.485 -0.268 2.944 625 HB VAL 97 HB VAL 97 -4.638 0.583 1.682 626 HG11 VAL 97 1HG1 VAL 97 -5.607 1.060 -0.439 627 HG12 VAL 97 2HG1 VAL 97 -7.090 1.654 0.306 628 HG13 VAL 97 3HG1 VAL 97 -6.676 -0.061 0.401 629 HG21 VAL 97 3HG2 VAL 97 -4.494 2.797 2.655 630 HG22 VAL 97 1HG2 VAL 97 -5.959 3.283 1.804 631 HG23 VAL 97 2HG2 VAL 97 -4.500 2.892 0.895 632 H THR 98 H THR 98 -4.547 -0.450 4.149 633 HA THR 98 HA THR 98 -3.804 1.811 5.836 634 HB THR 98 HB THR 98 -3.527 -0.320 7.575 635 HG1 THR 98 HG1 THR 98 -6.188 -0.608 6.995 636 HG21 THR 98 3HG2 THR 98 -5.387 0.724 8.799 637 HG22 THR 98 1HG2 THR 98 -5.814 1.644 7.358 638 HG23 THR 98 2HG2 THR 98 -4.272 1.931 8.163 639 H ILE 99 H ILE 99 -1.773 2.152 5.192 640 HA ILE 99 HA ILE 99 -0.012 -0.142 4.694 641 HB ILE 99 HB ILE 99 1.586 1.822 3.955 642 HG12 ILE 99 1HG1 ILE 99 -0.211 3.536 4.629 643 HG13 ILE 99 2HG1 ILE 99 0.586 3.744 3.079 644 HG21 ILE 99 1HG2 ILE 99 -0.655 0.705 2.292 645 HG22 ILE 99 2HG2 ILE 99 0.962 0.033 2.512 646 HG23 ILE 99 3HG2 ILE 99 0.748 1.552 1.638 647 HD11 ILE 99 3HD1 ILE 99 -2.100 2.453 3.424 648 HD12 ILE 99 1HD1 ILE 99 -1.314 2.889 1.910 649 HD13 ILE 99 2HD1 ILE 99 -1.845 4.149 3.026 650 H HIS 100 H HIS 100 1.882 -0.434 5.783 651 HA HIS 100 HA HIS 100 2.357 1.337 8.087 652 HB2 HIS 100 1HB HIS 100 1.089 -1.076 8.318 653 HB3 HIS 100 2HB HIS 100 2.769 -1.543 8.497 654 HD1 HIS 100 HD1 HIS 100 -0.020 0.015 10.324 655 HD2 HIS 100 HD2 HIS 100 4.088 -0.437 10.772 656 HE1 HIS 100 HE1 HIS 100 0.456 0.514 12.740 657 HE2 HIS 100 HE2 HIS 100 2.913 0.047 13.022 658 H TYR 101 H TYR 101 4.428 1.954 8.049 659 HA TYR 101 HA TYR 101 6.391 0.204 8.776 660 HB2 TYR 101 1HB TYR 101 6.299 -0.484 6.296 661 HB3 TYR 101 2HB TYR 101 7.087 1.045 5.970 662 HD1 TYR 101 HD1 TYR 101 8.295 0.112 9.085 663 HD2 TYR 101 HD2 TYR 101 8.625 -0.996 4.990 664 HE1 TYR 101 HE1 TYR 101 10.447 -0.967 9.557 665 HE2 TYR 101 HE2 TYR 101 10.789 -2.067 5.455 666 HH TYR 101 HH TYR 101 12.612 -1.903 7.147 667 H ASN 102 H ASN 102 7.322 2.535 6.359 668 HA ASN 102 HA ASN 102 8.301 4.363 8.367 669 HB2 ASN 102 1HB ASN 102 10.616 3.763 8.215 670 HB3 ASN 102 2HB ASN 102 9.717 2.264 8.481 671 HD21 ASN 102 2HD2 ASN 102 12.333 2.458 7.367 672 HD22 ASN 102 1HD2 ASN 102 12.258 1.819 5.759 673 H LYS 103 H LYS 103 9.668 6.087 7.356 674 HA LYS 103 HA LYS 103 8.818 6.571 4.615 675 HB2 LYS 103 1HB LYS 103 8.486 8.314 7.037 676 HB3 LYS 103 2HB LYS 103 8.421 8.961 5.400 677 HG2 LYS 103 1HG LYS 103 6.571 6.980 6.682 678 HG3 LYS 103 2HG LYS 103 6.206 8.553 5.988 679 HD2 LYS 103 1HD LYS 103 7.089 7.584 3.820 680 HD3 LYS 103 2HD LYS 103 6.965 6.020 4.608 681 HE2 LYS 103 1HE LYS 103 4.721 6.036 4.658 682 HE3 LYS 103 2HE LYS 103 4.623 7.784 4.758 683 HZ1 LYS 103 3HZ LYS 103 5.310 6.231 2.323 684 HZ2 LYS 103 1HZ LYS 103 5.251 7.917 2.414 685 HZ3 LYS 103 2HZ LYS 103 3.838 7.012 2.612 686 H LEU 104 H LEU 104 10.358 7.042 3.351 687 HA LEU 104 HA LEU 104 12.448 8.884 3.897 688 HB2 LEU 104 1HB LEU 104 14.359 7.388 3.750 689 HB3 LEU 104 2HB LEU 104 13.408 7.022 5.173 690 HG LEU 104 HG LEU 104 13.646 5.406 2.629 691 HD11 LEU 104 1HD1 LEU 104 14.217 4.710 5.499 692 HD12 LEU 104 2HD1 LEU 104 15.434 5.223 4.328 693 HD13 LEU 104 3HD1 LEU 104 14.549 3.717 4.079 694 HD21 LEU 104 3HD2 LEU 104 11.780 4.989 4.955 695 HD22 LEU 104 1HD2 LEU 104 12.142 3.769 3.728 696 HD23 LEU 104 2HD2 LEU 104 11.335 5.270 3.263 697 H GLN 105 H GLN 105 10.437 8.563 2.049 698 HA GLN 105 HA GLN 105 10.689 7.114 -0.180 699 HB2 GLN 105 1HB GLN 105 9.618 9.030 -1.424 700 HB3 GLN 105 2HB GLN 105 8.803 8.531 0.051 701 HG2 GLN 105 1HG GLN 105 9.731 10.412 1.245 702 HG3 GLN 105 2HG GLN 105 10.668 10.883 -0.171 703 HE21 GLN 105 2HE2 GLN 105 9.628 11.817 -1.918 704 HE22 GLN 105 1HE2 GLN 105 8.029 12.463 -1.802 705 H ALA 106 H ALA 106 12.586 6.643 -0.988 706 HA ALA 106 HA ALA 106 14.670 8.552 -1.355 707 HB1 ALA 106 3HB ALA 106 15.880 6.610 -2.303 708 HB2 ALA 106 1HB ALA 106 14.397 5.669 -2.177 709 HB3 ALA 106 2HB ALA 106 15.173 6.288 -0.717 710 H ASP 107 H ASP 107 15.868 8.429 -3.568 711 HA ASP 107 HA ASP 107 13.896 8.897 -5.717 712 HB2 ASP 107 1HB ASP 107 16.298 10.640 -5.052 713 HB3 ASP 107 2HB ASP 107 15.248 10.849 -6.447 714 HA PRO 108 HA PRO 108 15.935 6.188 -8.452 715 HB2 PRO 108 1HB PRO 108 17.089 8.649 -9.734 716 HB3 PRO 108 2HB PRO 108 16.472 7.182 -10.500 717 HG2 PRO 108 1HG PRO 108 14.955 9.389 -10.271 718 HG3 PRO 108 2HG PRO 108 14.264 7.762 -10.151 719 HD2 PRO 108 1HD PRO 108 14.578 9.793 -8.068 720 HD3 PRO 108 2HD PRO 108 13.605 8.311 -8.049 721 H LYS 109 H LYS 109 18.153 8.935 -7.888 722 HA LYS 109 HA LYS 109 20.534 7.481 -8.070 723 HB2 LYS 109 1HB LYS 109 21.547 9.400 -6.845 724 HB3 LYS 109 2HB LYS 109 20.579 9.874 -8.233 725 HG2 LYS 109 1HG LYS 109 18.723 10.423 -6.714 726 HG3 LYS 109 2HG LYS 109 19.737 9.985 -5.340 727 HD2 LYS 109 1HD LYS 109 20.492 12.124 -7.326 728 HD3 LYS 109 2HD LYS 109 19.561 12.457 -5.869 729 HE2 LYS 109 1HE LYS 109 21.710 12.926 -5.179 730 HE3 LYS 109 2HE LYS 109 21.518 11.256 -4.656 731 HZ1 LYS 109 3HZ LYS 109 22.886 12.141 -7.137 732 HZ2 LYS 109 1HZ LYS 109 22.721 10.539 -6.627 733 HZ3 LYS 109 2HZ LYS 109 23.649 11.620 -5.725 734 H GLN 110 H GLN 110 18.706 8.392 -5.167 735 HA GLN 110 HA GLN 110 20.569 7.024 -3.467 736 HB2 GLN 110 1HB GLN 110 19.405 8.077 -1.680 737 HB3 GLN 110 2HB GLN 110 19.769 9.244 -2.919 738 HG2 GLN 110 1HG GLN 110 17.522 9.101 -3.714 739 HG3 GLN 110 2HG GLN 110 17.160 7.929 -2.445 740 HE21 GLN 110 2HE2 GLN 110 16.999 8.620 -0.314 741 HE22 GLN 110 1HE2 GLN 110 16.829 10.290 0.099 742 H LEU 111 H LEU 111 17.842 6.323 -5.087 743 HA LEU 111 HA LEU 111 16.678 4.507 -3.161 744 HB2 LEU 111 1HB LEU 111 15.199 5.816 -4.492 745 HB3 LEU 111 2HB LEU 111 16.003 5.349 -5.964 746 HG LEU 111 HG LEU 111 13.688 4.364 -5.496 747 HD11 LEU 111 1HD1 LEU 111 14.244 2.170 -6.416 748 HD12 LEU 111 2HD1 LEU 111 15.949 2.457 -6.066 749 HD13 LEU 111 3HD1 LEU 111 15.108 3.465 -7.244 750 HD21 LEU 111 3HD2 LEU 111 13.591 2.411 -4.052 751 HD22 LEU 111 1HD2 LEU 111 14.054 3.849 -3.142 752 HD23 LEU 111 2HD2 LEU 111 15.276 2.657 -3.588 753 H GLU 112 H GLU 112 18.409 4.371 -6.262 754 HA GLU 112 HA GLU 112 18.537 1.554 -6.413 755 HB2 GLU 112 1HB GLU 112 20.421 1.912 -7.956 756 HB3 GLU 112 2HB GLU 112 19.067 2.968 -8.336 757 HG2 GLU 112 1HG GLU 112 20.142 4.850 -7.446 758 HG3 GLU 112 2HG GLU 112 21.358 3.866 -6.635 759 H VAL 113 H VAL 113 20.156 3.885 -4.490 760 HA VAL 113 HA VAL 113 22.452 2.530 -3.683 761 HB VAL 113 HB VAL 113 20.645 4.425 -2.178 762 HG11 VAL 113 1HG1 VAL 113 23.405 3.510 -1.398 763 HG12 VAL 113 2HG1 VAL 113 21.907 3.088 -0.569 764 HG13 VAL 113 3HG1 VAL 113 22.458 4.764 -0.600 765 HG21 VAL 113 3HG2 VAL 113 22.384 6.059 -2.688 766 HG22 VAL 113 1HG2 VAL 113 21.716 5.343 -4.154 767 HG23 VAL 113 2HG2 VAL 113 23.292 4.823 -3.557 768 H LEU 114 H LEU 114 19.120 2.276 -2.604 769 HA LEU 114 HA LEU 114 19.716 0.301 -0.593 770 HB2 LEU 114 1HB LEU 114 17.200 1.521 -1.672 771 HB3 LEU 114 2HB LEU 114 17.124 0.089 -0.673 772 HG LEU 114 HG LEU 114 18.314 1.361 1.130 773 HD11 LEU 114 1HD1 LEU 114 17.791 3.720 -0.671 774 HD12 LEU 114 2HD1 LEU 114 19.374 3.062 -0.255 775 HD13 LEU 114 3HD1 LEU 114 18.366 3.792 0.994 776 HD21 LEU 114 3HD2 LEU 114 15.899 1.064 1.157 777 HD22 LEU 114 1HD2 LEU 114 15.699 2.511 0.169 778 HD23 LEU 114 2HD2 LEU 114 16.349 2.643 1.803 779 H PHE 115 H PHE 115 19.038 0.343 -3.952 780 HA PHE 115 HA PHE 115 18.360 -2.526 -3.917 781 HB2 PHE 115 1HB PHE 115 16.670 -0.901 -4.864 782 HB3 PHE 115 2HB PHE 115 17.820 -0.556 -6.147 783 HD1 PHE 115 HD1 PHE 115 16.626 -3.703 -4.524 784 HD2 PHE 115 HD2 PHE 115 17.136 -1.494 -8.125 785 HE1 PHE 115 HE1 PHE 115 15.736 -5.602 -5.811 786 HE2 PHE 115 HE2 PHE 115 16.249 -3.390 -9.416 787 HZ PHE 115 HZ PHE 115 15.548 -5.448 -8.261 788 H GLN 116 H GLN 116 21.020 -1.598 -3.678 789 HA GLN 116 HA GLN 116 23.099 -2.137 -4.409 790 HB2 GLN 116 1HB GLN 116 21.655 -3.555 -6.654 791 HB3 GLN 116 2HB GLN 116 23.385 -3.652 -6.355 792 HG2 GLN 116 1HG GLN 116 23.019 -4.739 -4.249 793 HG3 GLN 116 2HG GLN 116 21.278 -4.498 -4.380 794 HE21 GLN 116 2HE2 GLN 116 21.224 -5.135 -7.219 795 HE22 GLN 116 1HE2 GLN 116 21.426 -6.845 -7.339 796 H GLY 117 H GLY 117 21.658 -1.906 -7.662 797 HA2 GLY 117 1HA GLY 117 22.079 0.874 -7.975 798 HA3 GLY 117 2HA GLY 117 23.451 -0.013 -8.637 799 HA PRO 118 HA PRO 118 21.212 -1.561 -12.222 800 HB2 PRO 118 1HB PRO 118 20.742 -4.221 -11.554 801 HB3 PRO 118 2HB PRO 118 22.204 -3.591 -12.300 802 HG2 PRO 118 1HG PRO 118 21.663 -4.114 -9.413 803 HG3 PRO 118 2HG PRO 118 23.098 -4.530 -10.376 804 HD2 PRO 118 1HD PRO 118 23.191 -2.416 -8.823 805 HD3 PRO 118 2HD PRO 118 23.795 -2.284 -10.493 806 H GLN 119 H GLN 119 19.102 -1.500 -12.835 807 HA GLN 119 HA GLN 119 17.064 -2.069 -10.789 808 HB2 GLN 119 1HB GLN 119 17.042 0.237 -11.689 809 HB3 GLN 119 2HB GLN 119 16.799 -0.410 -13.303 810 HG2 GLN 119 1HG GLN 119 14.666 -1.380 -12.581 811 HG3 GLN 119 2HG GLN 119 14.908 -0.686 -10.979 812 HE21 GLN 119 2HE2 GLN 119 14.211 -0.026 -14.314 813 HE22 GLN 119 1HE2 GLN 119 13.649 1.592 -14.083 814 H PHE 120 H PHE 120 15.980 -3.904 -11.035 815 HA PHE 120 HA PHE 120 15.242 -4.946 -13.608 816 HB2 PHE 120 1HB PHE 120 16.503 -7.058 -13.386 817 HB3 PHE 120 2HB PHE 120 17.587 -5.676 -13.513 818 HD1 PHE 120 HD2 PHE 120 18.807 -4.877 -11.523 819 HD2 PHE 120 HD1 PHE 120 16.436 -8.403 -11.426 820 HE1 PHE 120 HE2 PHE 120 19.927 -5.566 -9.442 821 HE2 PHE 120 HE1 PHE 120 17.549 -9.103 -9.346 822 HZ PHE 120 HZ PHE 120 19.298 -7.682 -8.351 823 H THR 121 H THR 121 14.077 -7.077 -13.335 824 HA THR 121 HA THR 121 13.213 -7.542 -10.576 825 HB THR 121 HB THR 121 11.418 -6.250 -11.549 826 HG1 THR 121 HG1 THR 121 10.116 -7.550 -10.546 827 HG21 THR 121 3HG2 THR 121 10.145 -7.071 -13.503 828 HG22 THR 121 1HG2 THR 121 11.367 -8.322 -13.744 829 HG23 THR 121 2HG2 THR 121 11.800 -6.620 -13.909 830 H LEU 122 H LEU 122 13.493 -9.565 -10.006 831 HA LEU 122 HA LEU 122 13.426 -11.656 -12.084 832 HB2 LEU 122 1HB LEU 122 15.029 -11.591 -9.524 833 HB3 LEU 122 2HB LEU 122 14.933 -12.966 -10.603 834 HG LEU 122 HG LEU 122 16.117 -10.282 -11.300 835 HD11 LEU 122 1HD1 LEU 122 17.476 -11.502 -9.691 836 HD12 LEU 122 2HD1 LEU 122 18.254 -11.468 -11.273 837 HD13 LEU 122 3HD1 LEU 122 17.434 -12.929 -10.726 838 HD21 LEU 122 3HD2 LEU 122 16.917 -11.426 -13.323 839 HD22 LEU 122 1HD2 LEU 122 15.156 -11.359 -13.250 840 HD23 LEU 122 2HD2 LEU 122 15.998 -12.859 -12.860 841 H ARG 123 H ARG 123 12.604 -10.751 -8.791 842 HA ARG 123 HA ARG 123 11.246 -13.278 -8.337 843 HB2 ARG 123 1HB ARG 123 12.705 -12.072 -6.624 844 HB3 ARG 123 2HB ARG 123 11.386 -10.926 -6.458 845 HG2 ARG 123 1HG ARG 123 11.237 -12.522 -4.691 846 HG3 ARG 123 2HG ARG 123 9.902 -12.804 -5.806 847 HD2 ARG 123 1HD ARG 123 12.482 -14.329 -5.990 848 HD3 ARG 123 2HD ARG 123 11.175 -14.844 -4.930 849 HE ARG 123 HE ARG 123 9.809 -14.784 -7.114 850 HH11 ARG 123 1HH1 ARG 123 13.203 -15.635 -6.911 851 HH12 ARG 123 2HH1 ARG 123 13.128 -16.749 -8.239 852 HH21 ARG 123 1HH2 ARG 123 9.717 -16.260 -8.860 853 HH22 ARG 123 2HH2 ARG 123 11.151 -17.114 -9.339 854 H HIS 124 H HIS 124 10.467 -10.580 -9.914 855 HA HIS 124 HA HIS 124 8.529 -9.780 -10.772 856 HB2 HIS 124 1HB HIS 124 7.254 -11.966 -9.135 857 HB3 HIS 124 2HB HIS 124 6.350 -10.889 -10.189 858 HD1 HIS 124 HD1 HIS 124 6.557 -11.274 -12.737 859 HD2 HIS 124 HD2 HIS 124 8.760 -13.938 -10.432 860 HE1 HIS 124 HE1 HIS 124 7.244 -13.111 -14.302 861 HE2 HIS 124 HE2 HIS 124 8.370 -14.816 -12.830 862 H TRP 125 H TRP 125 7.102 -8.175 -10.344 863 HA TRP 125 HA TRP 125 6.992 -7.245 -7.559 864 HB2 TRP 125 1HB TRP 125 6.343 -5.690 -10.073 865 HB3 TRP 125 2HB TRP 125 6.490 -5.044 -8.447 866 HD1 TRP 125 HD1 TRP 125 8.222 -4.510 -11.328 867 HE1 TRP 125 HE1 TRP 125 10.768 -4.295 -11.055 868 HE3 TRP 125 HE3 TRP 125 8.750 -6.777 -6.775 869 HZ2 TRP 125 HZ2 TRP 125 12.739 -4.994 -9.165 870 HZ3 TRP 125 HZ3 TRP 125 11.002 -6.957 -5.803 871 HH2 TRP 125 HH2 TRP 125 12.957 -6.088 -6.978 872 H LEU 126 H LEU 126 4.984 -6.485 -6.722 873 HA LEU 126 HA LEU 126 2.612 -7.533 -8.133 874 HB2 LEU 126 1HB LEU 126 1.563 -7.883 -6.038 875 HB3 LEU 126 2HB LEU 126 3.184 -8.522 -5.881 876 HG LEU 126 HG LEU 126 3.500 -5.960 -4.982 877 HD11 LEU 126 1HD1 LEU 126 0.826 -6.938 -3.994 878 HD12 LEU 126 2HD1 LEU 126 1.084 -5.557 -5.062 879 HD13 LEU 126 3HD1 LEU 126 1.699 -5.523 -3.409 880 HD21 LEU 126 3HD2 LEU 126 4.432 -7.922 -3.955 881 HD22 LEU 126 1HD2 LEU 126 2.827 -8.460 -3.470 882 HD23 LEU 126 2HD2 LEU 126 3.525 -7.019 -2.743 883 H LYS 127 H LYS 127 0.581 -6.217 -7.483 884 HA LYS 127 HA LYS 127 1.110 -3.413 -7.076 885 HB2 LYS 127 1HB LYS 127 0.059 -2.692 -9.158 886 HB3 LYS 127 2HB LYS 127 1.481 -3.663 -9.488 887 HG2 LYS 127 1HG LYS 127 0.038 -5.597 -9.941 888 HG3 LYS 127 2HG LYS 127 -1.379 -4.587 -9.656 889 HD2 LYS 127 1HD LYS 127 0.702 -4.131 -11.795 890 HD3 LYS 127 2HD LYS 127 -0.892 -4.839 -12.051 891 HE2 LYS 127 1HE LYS 127 -0.334 -2.044 -11.055 892 HE3 LYS 127 2HE LYS 127 -0.848 -2.477 -12.684 893 HZ1 LYS 127 3HZ LYS 127 -2.412 -2.867 -10.191 894 HZ2 LYS 127 1HZ LYS 127 -2.906 -3.370 -11.730 895 HZ3 LYS 127 2HZ LYS 127 -2.717 -1.723 -11.396 896 H VAL 128 H VAL 128 -0.546 -2.438 -6.090 897 HA VAL 128 HA VAL 128 -3.238 -3.339 -6.407 898 HB VAL 128 HB VAL 128 -2.336 -4.904 -4.686 899 HG11 VAL 128 1HG1 VAL 128 -2.075 -4.001 -2.395 900 HG12 VAL 128 2HG1 VAL 128 -2.056 -2.381 -3.104 901 HG13 VAL 128 3HG1 VAL 128 -0.800 -3.548 -3.525 902 HG21 VAL 128 3HG2 VAL 128 -4.712 -4.399 -4.918 903 HG22 VAL 128 1HG2 VAL 128 -4.529 -3.076 -3.766 904 HG23 VAL 128 2HG2 VAL 128 -4.263 -4.744 -3.249 Start of MODEL 16 1 H1 GLY 13 1H GLY 13 13.876 -13.076 10.923 2 H2 GLY 13 2H GLY 13 15.546 -13.334 10.941 3 H3 GLY 13 3H GLY 13 14.930 -11.804 10.564 4 HA2 GLY 13 1HA GLY 13 14.721 -13.172 13.185 5 HA3 GLY 13 2HA GLY 13 15.791 -11.829 12.811 6 H SER 14 H SER 14 15.074 -10.035 13.724 7 HA SER 14 HA SER 14 12.231 -9.666 14.201 8 HB2 SER 14 1HB SER 14 14.557 -7.886 14.972 9 HB3 SER 14 2HB SER 14 12.910 -7.793 15.594 10 HG SER 14 HG SER 14 13.361 -9.324 16.954 11 HA PRO 15 HA PRO 15 11.911 -7.063 10.575 12 HB2 PRO 15 1HB PRO 15 9.327 -6.348 10.885 13 HB3 PRO 15 2HB PRO 15 9.798 -7.968 10.356 14 HG2 PRO 15 1HG PRO 15 8.950 -7.030 13.064 15 HG3 PRO 15 2HG PRO 15 8.527 -8.526 12.214 16 HD2 PRO 15 1HD PRO 15 10.446 -8.363 14.166 17 HD3 PRO 15 2HD PRO 15 10.445 -9.585 12.880 18 H GLY 16 H GLY 16 13.432 -5.761 12.182 19 HA2 GLY 16 1HA GLY 16 12.247 -3.556 13.564 20 HA3 GLY 16 2HA GLY 16 13.958 -3.776 13.227 21 H ILE 17 H ILE 17 11.646 -1.642 12.824 22 HA ILE 17 HA ILE 17 12.614 -0.821 10.170 23 HB ILE 17 HB ILE 17 10.404 0.373 9.941 24 HG12 ILE 17 1HG1 ILE 17 9.780 -1.335 12.346 25 HG13 ILE 17 2HG1 ILE 17 9.664 0.415 12.201 26 HG21 ILE 17 1HG2 ILE 17 9.234 -1.647 9.198 27 HG22 ILE 17 2HG2 ILE 17 10.405 -2.633 10.073 28 HG23 ILE 17 3HG2 ILE 17 10.932 -1.634 8.715 29 HD11 ILE 17 3HD1 ILE 17 7.948 -1.575 10.760 30 HD12 ILE 17 1HD1 ILE 17 7.827 0.180 10.643 31 HD13 ILE 17 2HD1 ILE 17 7.483 -0.629 12.173 32 HA PRO 18 HA PRO 18 14.047 3.063 11.642 33 HB2 PRO 18 1HB PRO 18 12.622 4.834 10.060 34 HB3 PRO 18 2HB PRO 18 14.083 3.986 9.545 35 HG2 PRO 18 1HG PRO 18 11.208 3.233 9.124 36 HG3 PRO 18 2HG PRO 18 12.521 3.259 7.939 37 HD2 PRO 18 1HD PRO 18 11.825 0.984 8.971 38 HD3 PRO 18 2HD PRO 18 13.540 1.357 8.897 39 H VAL 19 H VAL 19 10.941 4.383 10.711 40 HA VAL 19 HA VAL 19 10.018 4.345 13.470 41 HB VAL 19 HB VAL 19 10.128 6.665 11.570 42 HG11 VAL 19 1HG1 VAL 19 8.681 7.902 13.101 43 HG12 VAL 19 2HG1 VAL 19 8.412 6.416 14.014 44 HG13 VAL 19 3HG1 VAL 19 7.865 6.536 12.343 45 HG21 VAL 19 3HG2 VAL 19 11.107 7.831 13.486 46 HG22 VAL 19 1HG2 VAL 19 12.032 6.391 13.067 47 HG23 VAL 19 2HG2 VAL 19 10.945 6.368 14.455 48 HA PRO 20 HA PRO 20 6.616 2.392 11.362 49 HB2 PRO 20 1HB PRO 20 4.962 2.611 13.600 50 HB3 PRO 20 2HB PRO 20 5.972 1.236 13.174 51 HG2 PRO 20 1HG PRO 20 6.378 3.331 15.197 52 HG3 PRO 20 2HG PRO 20 7.058 1.699 15.117 53 HD2 PRO 20 1HD PRO 20 8.438 4.032 14.571 54 HD3 PRO 20 2HD PRO 20 8.912 2.416 14.018 55 H GLY 21 H GLY 21 5.408 3.451 9.994 56 HA2 GLY 21 1HA GLY 21 3.855 5.769 10.961 57 HA3 GLY 21 2HA GLY 21 4.692 5.808 9.414 58 H LYS 22 H LYS 22 1.968 6.269 9.559 59 HA LYS 22 HA LYS 22 0.967 4.131 7.900 60 HB2 LYS 22 1HB LYS 22 -1.069 3.778 9.294 61 HB3 LYS 22 2HB LYS 22 0.409 3.198 10.045 62 HG2 LYS 22 1HG LYS 22 0.500 5.164 11.461 63 HG3 LYS 22 2HG LYS 22 -0.935 5.818 10.674 64 HD2 LYS 22 1HD LYS 22 -0.868 3.202 12.174 65 HD3 LYS 22 2HD LYS 22 -1.372 4.737 12.881 66 HE2 LYS 22 1HE LYS 22 -3.160 4.919 11.232 67 HE3 LYS 22 2HE LYS 22 -2.648 3.401 10.498 68 HZ1 LYS 22 3HZ LYS 22 -3.627 3.710 13.281 69 HZ2 LYS 22 1HZ LYS 22 -3.177 2.257 12.544 70 HZ3 LYS 22 2HZ LYS 22 -4.531 3.106 11.989 71 H VAL 23 H VAL 23 -0.405 4.917 6.376 72 HA VAL 23 HA VAL 23 -2.015 7.258 7.145 73 HB VAL 23 HB VAL 23 -2.067 8.030 4.785 74 HG11 VAL 23 1HG1 VAL 23 0.164 9.053 4.780 75 HG12 VAL 23 2HG1 VAL 23 0.651 7.943 6.056 76 HG13 VAL 23 3HG1 VAL 23 -0.614 9.129 6.361 77 HG21 VAL 23 3HG2 VAL 23 -1.422 5.969 3.653 78 HG22 VAL 23 1HG2 VAL 23 0.192 6.083 4.348 79 HG23 VAL 23 2HG2 VAL 23 -0.359 7.304 3.196 80 H THR 24 H THR 24 -4.151 7.302 6.283 81 HA THR 24 HA THR 24 -5.013 4.658 5.338 82 HB THR 24 HB THR 24 -5.672 4.911 7.666 83 HG1 THR 24 HG1 THR 24 -7.109 3.851 6.184 84 HG21 THR 24 3HG2 THR 24 -7.152 7.380 6.755 85 HG22 THR 24 1HG2 THR 24 -5.768 7.330 7.847 86 HG23 THR 24 2HG2 THR 24 -7.309 6.628 8.341 87 H LEU 25 H LEU 25 -6.132 4.618 3.556 88 HA LEU 25 HA LEU 25 -7.310 7.098 2.514 89 HB2 LEU 25 1HB LEU 25 -5.728 5.124 0.874 90 HB3 LEU 25 2HB LEU 25 -6.307 6.701 0.383 91 HG LEU 25 HG LEU 25 -4.373 6.528 2.645 92 HD11 LEU 25 1HD1 LEU 25 -2.506 6.584 1.097 93 HD12 LEU 25 2HD1 LEU 25 -3.610 6.401 -0.266 94 HD13 LEU 25 3HD1 LEU 25 -3.432 5.095 0.907 95 HD21 LEU 25 3HD2 LEU 25 -5.394 8.666 2.096 96 HD22 LEU 25 1HD2 LEU 25 -4.841 8.517 0.428 97 HD23 LEU 25 2HD2 LEU 25 -3.668 8.688 1.734 98 H GLN 26 H GLN 26 -8.227 6.091 0.132 99 HA GLN 26 HA GLN 26 -9.769 3.727 0.812 100 HB2 GLN 26 1HB GLN 26 -10.877 6.359 -0.111 101 HB3 GLN 26 2HB GLN 26 -11.752 4.852 -0.347 102 HG2 GLN 26 1HG GLN 26 -11.825 4.462 2.014 103 HG3 GLN 26 2HG GLN 26 -10.804 5.859 2.312 104 HE21 GLN 26 2HE2 GLN 26 -13.452 5.251 3.316 105 HE22 GLN 26 1HE2 GLN 26 -14.477 6.554 2.827 106 H LYS 27 H LYS 27 -10.278 2.442 -0.810 107 HA LYS 27 HA LYS 27 -8.529 2.088 -2.887 108 HB2 LYS 27 1HB LYS 27 -11.439 1.305 -2.994 109 HB3 LYS 27 2HB LYS 27 -10.115 0.552 -3.853 110 HG2 LYS 27 1HG LYS 27 -10.538 0.520 -0.880 111 HG3 LYS 27 2HG LYS 27 -10.848 -0.810 -2.000 112 HD2 LYS 27 1HD LYS 27 -8.376 -0.460 -2.664 113 HD3 LYS 27 2HD LYS 27 -8.259 0.348 -1.110 114 HE2 LYS 27 1HE LYS 27 -7.643 -1.935 -0.807 115 HE3 LYS 27 2HE LYS 27 -9.200 -1.654 -0.030 116 HZ1 LYS 27 3HZ LYS 27 -9.195 -3.719 -1.257 117 HZ2 LYS 27 1HZ LYS 27 -8.787 -2.909 -2.688 118 HZ3 LYS 27 2HZ LYS 27 -10.290 -2.635 -1.962 119 H ASP 28 H ASP 28 -8.617 2.383 -5.124 120 HA ASP 28 HA ASP 28 -10.025 4.767 -6.006 121 HB2 ASP 28 1HB ASP 28 -8.629 4.721 -7.899 122 HB3 ASP 28 2HB ASP 28 -7.594 4.138 -6.603 123 H ALA 29 H ALA 29 -10.537 4.078 -8.693 124 HA ALA 29 HA ALA 29 -13.019 2.753 -8.465 125 HB1 ALA 29 3HB ALA 29 -11.404 3.319 -10.944 126 HB2 ALA 29 1HB ALA 29 -12.566 4.413 -10.196 127 HB3 ALA 29 2HB ALA 29 -13.113 2.890 -10.897 128 H GLN 30 H GLN 30 -9.814 1.564 -8.974 129 HA GLN 30 HA GLN 30 -10.716 -0.938 -10.122 130 HB2 GLN 30 1HB GLN 30 -8.380 0.650 -10.125 131 HB3 GLN 30 2HB GLN 30 -7.971 -0.932 -9.525 132 HG2 GLN 30 1HG GLN 30 -9.090 -1.888 -11.559 133 HG3 GLN 30 2HG GLN 30 -9.202 -0.236 -12.170 134 HE21 GLN 30 2HE2 GLN 30 -7.099 -2.886 -11.444 135 HE22 GLN 30 1HE2 GLN 30 -5.698 -2.261 -12.240 136 H ASN 31 H ASN 31 -10.638 0.297 -7.147 137 HA ASN 31 HA ASN 31 -10.935 -0.647 -5.075 138 HB2 ASN 31 1HB ASN 31 -12.109 -2.457 -6.171 139 HB3 ASN 31 2HB ASN 31 -10.597 -3.241 -6.573 140 HD21 ASN 31 2HD2 ASN 31 -10.774 -5.105 -5.500 141 HD22 ASN 31 1HD2 ASN 31 -10.955 -5.251 -3.787 142 H LEU 32 H LEU 32 -8.310 0.023 -6.321 143 HA LEU 32 HA LEU 32 -6.699 -1.366 -4.295 144 HB2 LEU 32 1HB LEU 32 -4.772 -1.241 -5.951 145 HB3 LEU 32 2HB LEU 32 -6.004 -2.442 -6.236 146 HG LEU 32 HG LEU 32 -7.033 -0.900 -7.927 147 HD11 LEU 32 1HD1 LEU 32 -5.658 0.870 -8.864 148 HD12 LEU 32 2HD1 LEU 32 -4.446 0.604 -7.611 149 HD13 LEU 32 3HD1 LEU 32 -6.049 1.197 -7.176 150 HD21 LEU 32 3HD2 LEU 32 -5.632 -2.790 -8.562 151 HD22 LEU 32 1HD2 LEU 32 -4.199 -1.770 -8.430 152 HD23 LEU 32 2HD2 LEU 32 -5.415 -1.428 -9.660 153 H ILE 33 H ILE 33 -4.291 -0.072 -4.647 154 HA ILE 33 HA ILE 33 -5.108 2.580 -3.734 155 HB ILE 33 HB ILE 33 -2.396 1.951 -3.056 156 HG12 ILE 33 1HG1 ILE 33 -4.449 -0.027 -2.024 157 HG13 ILE 33 2HG1 ILE 33 -3.222 -0.415 -3.230 158 HG21 ILE 33 1HG2 ILE 33 -4.952 2.467 -1.554 159 HG22 ILE 33 2HG2 ILE 33 -3.657 3.613 -1.914 160 HG23 ILE 33 3HG2 ILE 33 -3.383 2.307 -0.761 161 HD11 ILE 33 3HD1 ILE 33 -1.474 0.001 -1.621 162 HD12 ILE 33 1HD1 ILE 33 -2.636 -1.139 -0.947 163 HD13 ILE 33 2HD1 ILE 33 -2.652 0.544 -0.426 164 H GLY 34 H GLY 34 -3.260 0.881 -6.103 165 HA2 GLY 34 1HA GLY 34 -2.739 1.975 -8.159 166 HA3 GLY 34 2HA GLY 34 -2.602 3.496 -7.287 167 H ILE 35 H ILE 35 -1.092 0.508 -6.205 168 HA ILE 35 HA ILE 35 1.506 1.737 -6.866 169 HB ILE 35 HB ILE 35 2.421 0.731 -4.774 170 HG12 ILE 35 1HG1 ILE 35 0.514 0.507 -2.963 171 HG13 ILE 35 2HG1 ILE 35 -0.469 0.097 -4.362 172 HG21 ILE 35 1HG2 ILE 35 2.044 3.068 -4.847 173 HG22 ILE 35 2HG2 ILE 35 1.484 2.484 -3.279 174 HG23 ILE 35 3HG2 ILE 35 0.319 2.857 -4.550 175 HD11 ILE 35 3HD1 ILE 35 2.039 -1.325 -3.529 176 HD12 ILE 35 1HD1 ILE 35 0.994 -1.750 -4.886 177 HD13 ILE 35 2HD1 ILE 35 0.388 -1.874 -3.234 178 H SER 36 H SER 36 3.317 0.126 -6.499 179 HA SER 36 HA SER 36 2.571 -2.599 -7.231 180 HB2 SER 36 1HB SER 36 4.521 -0.817 -8.677 181 HB3 SER 36 2HB SER 36 4.639 -2.577 -8.762 182 HG SER 36 HG SER 36 2.228 -2.304 -9.250 183 H ILE 37 H ILE 37 3.555 -4.060 -6.034 184 HA ILE 37 HA ILE 37 5.581 -3.078 -4.153 185 HB ILE 37 HB ILE 37 3.856 -5.559 -4.024 186 HG12 ILE 37 1HG1 ILE 37 2.658 -3.454 -3.593 187 HG13 ILE 37 2HG1 ILE 37 2.777 -4.434 -2.137 188 HG21 ILE 37 1HG2 ILE 37 4.744 -5.894 -1.770 189 HG22 ILE 37 2HG2 ILE 37 5.860 -4.549 -2.011 190 HG23 ILE 37 3HG2 ILE 37 6.012 -6.009 -2.991 191 HD11 ILE 37 3HD1 ILE 37 4.438 -2.016 -2.812 192 HD12 ILE 37 1HD1 ILE 37 4.654 -3.026 -1.382 193 HD13 ILE 37 2HD1 ILE 37 3.158 -2.120 -1.605 194 H GLY 38 H GLY 38 7.480 -4.111 -3.782 195 HA2 GLY 38 1HA GLY 38 8.261 -6.368 -5.468 196 HA3 GLY 38 2HA GLY 38 9.205 -4.885 -5.589 197 H GLY 39 H GLY 39 10.380 -7.271 -4.752 198 HA2 GLY 39 1HA GLY 39 10.368 -7.251 -1.839 199 HA3 GLY 39 2HA GLY 39 11.155 -8.436 -2.868 200 H GLY 40 H GLY 40 11.985 -6.564 -0.526 201 HA2 GLY 40 1HA GLY 40 14.554 -5.938 -1.835 202 HA3 GLY 40 2HA GLY 40 13.727 -4.657 -0.980 203 H ALA 41 H ALA 41 13.378 -7.754 0.448 204 HA ALA 41 HA ALA 41 14.879 -6.994 2.738 205 HB1 ALA 41 3HB ALA 41 14.473 -9.250 3.563 206 HB2 ALA 41 1HB ALA 41 13.912 -9.744 1.964 207 HB3 ALA 41 2HB ALA 41 12.999 -8.551 2.889 208 H GLN 42 H GLN 42 15.522 -10.017 0.993 209 HA GLN 42 HA GLN 42 18.184 -9.097 0.298 210 HB2 GLN 42 1HB GLN 42 19.205 -11.213 1.244 211 HB3 GLN 42 2HB GLN 42 18.719 -10.001 2.418 212 HG2 GLN 42 1HG GLN 42 16.687 -11.258 2.883 213 HG3 GLN 42 2HG GLN 42 17.163 -12.470 1.696 214 HE21 GLN 42 2HE2 GLN 42 16.653 -12.703 4.565 215 HE22 GLN 42 1HE2 GLN 42 18.090 -13.383 5.244 216 H TYR 43 H TYR 43 15.941 -11.864 0.284 217 HA TYR 43 HA TYR 43 17.000 -12.715 -2.294 218 HB2 TYR 43 1HB TYR 43 14.771 -13.930 -0.647 219 HB3 TYR 43 2HB TYR 43 15.550 -14.657 -2.048 220 HD1 TYR 43 HD2 TYR 43 18.291 -14.602 -1.734 221 HD2 TYR 43 HD1 TYR 43 15.387 -14.863 1.362 222 HE1 TYR 43 HE2 TYR 43 19.960 -15.644 -0.261 223 HE2 TYR 43 HE1 TYR 43 17.049 -15.903 2.842 224 HH TYR 43 HH TYR 43 20.366 -15.922 2.163 225 H CYS 44 H CYS 44 14.968 -10.443 -1.308 226 HA CYS 44 HA CYS 44 13.699 -8.976 -2.460 227 HB2 CYS 44 1HB CYS 44 15.071 -9.578 -4.444 228 HB3 CYS 44 2HB CYS 44 13.939 -10.872 -4.794 229 HG CYS 44 HG CYS 44 13.243 -7.522 -4.870 230 HA PRO 45 HA PRO 45 10.111 -11.825 -1.774 231 HB2 PRO 45 1HB PRO 45 9.715 -10.608 0.824 232 HB3 PRO 45 2HB PRO 45 10.021 -12.306 0.445 233 HG2 PRO 45 1HG PRO 45 11.804 -10.707 1.744 234 HG3 PRO 45 2HG PRO 45 12.281 -12.082 0.732 235 HD2 PRO 45 1HD PRO 45 12.234 -9.162 0.052 236 HD3 PRO 45 2HD PRO 45 13.477 -10.382 -0.308 237 H CYS 46 H CYS 46 9.738 -9.037 0.303 238 HA CYS 46 HA CYS 46 8.452 -7.363 -1.661 239 HB2 CYS 46 1HB CYS 46 6.875 -8.405 0.715 240 HB3 CYS 46 2HB CYS 46 6.328 -7.185 -0.427 241 HG CYS 46 HG CYS 46 7.133 -9.756 -2.204 242 H LEU 47 H LEU 47 8.361 -5.186 -0.892 243 HA LEU 47 HA LEU 47 7.583 -4.356 1.510 244 HB2 LEU 47 1HB LEU 47 9.457 -3.619 2.836 245 HB3 LEU 47 2HB LEU 47 9.505 -5.354 2.627 246 HG LEU 47 HG LEU 47 11.131 -4.277 0.591 247 HD11 LEU 47 1HD1 LEU 47 11.683 -3.060 3.288 248 HD12 LEU 47 2HD1 LEU 47 11.224 -2.188 1.824 249 HD13 LEU 47 3HD1 LEU 47 12.772 -3.034 1.902 250 HD21 LEU 47 3HD2 LEU 47 12.891 -5.440 1.815 251 HD22 LEU 47 1HD2 LEU 47 11.422 -6.411 1.709 252 HD23 LEU 47 2HD2 LEU 47 11.826 -5.581 3.215 253 H TYR 48 H TYR 48 10.087 -3.574 -0.903 254 HA TYR 48 HA TYR 48 9.532 -0.764 -0.749 255 HB2 TYR 48 1HB TYR 48 11.019 -2.398 -2.806 256 HB3 TYR 48 2HB TYR 48 10.832 -0.650 -2.908 257 HD1 TYR 48 HD1 TYR 48 12.000 0.819 -1.343 258 HD2 TYR 48 HD2 TYR 48 12.466 -3.393 -1.204 259 HE1 TYR 48 HE1 TYR 48 13.985 1.097 0.084 260 HE2 TYR 48 HE2 TYR 48 14.442 -3.142 0.220 261 HH TYR 48 HH TYR 48 15.210 -0.317 1.810 262 H ILE 49 H ILE 49 8.345 0.502 -2.069 263 HA ILE 49 HA ILE 49 6.506 -0.827 -3.911 264 HB ILE 49 HB ILE 49 5.533 0.714 -2.281 265 HG12 ILE 49 1HG1 ILE 49 4.805 0.577 -4.837 266 HG13 ILE 49 2HG1 ILE 49 4.004 1.643 -3.688 267 HG21 ILE 49 1HG2 ILE 49 7.223 2.824 -3.586 268 HG22 ILE 49 2HG2 ILE 49 7.423 2.184 -1.952 269 HG23 ILE 49 3HG2 ILE 49 5.979 3.111 -2.368 270 HD11 ILE 49 3HD1 ILE 49 6.119 2.394 -5.687 271 HD12 ILE 49 1HD1 ILE 49 5.472 3.482 -4.458 272 HD13 ILE 49 2HD1 ILE 49 4.412 2.839 -5.715 273 H VAL 50 H VAL 50 6.893 -0.838 -6.016 274 HA VAL 50 HA VAL 50 9.403 0.264 -6.916 275 HB VAL 50 HB VAL 50 7.388 -1.351 -8.484 276 HG11 VAL 50 1HG1 VAL 50 9.301 -1.922 -9.904 277 HG12 VAL 50 2HG1 VAL 50 10.327 -0.853 -8.948 278 HG13 VAL 50 3HG1 VAL 50 8.995 -0.185 -9.892 279 HG21 VAL 50 3HG2 VAL 50 8.763 -3.300 -7.930 280 HG22 VAL 50 1HG2 VAL 50 8.085 -2.557 -6.481 281 HG23 VAL 50 2HG2 VAL 50 9.777 -2.291 -6.897 282 H GLN 51 H GLN 51 6.013 0.978 -7.365 283 HA GLN 51 HA GLN 51 6.567 3.427 -8.680 284 HB2 GLN 51 1HB GLN 51 6.070 3.035 -10.872 285 HB3 GLN 51 2HB GLN 51 6.708 1.447 -10.487 286 HG2 GLN 51 1HG GLN 51 4.353 0.746 -10.011 287 HG3 GLN 51 2HG GLN 51 3.844 2.278 -10.700 288 HE21 GLN 51 2HE2 GLN 51 2.755 1.219 -12.318 289 HE22 GLN 51 1HE2 GLN 51 3.583 0.490 -13.637 290 H VAL 52 H VAL 52 4.721 4.677 -8.987 291 HA VAL 52 HA VAL 52 2.181 3.637 -8.002 292 HB VAL 52 HB VAL 52 3.474 4.655 -6.066 293 HG11 VAL 52 1HG1 VAL 52 3.365 7.161 -5.945 294 HG12 VAL 52 2HG1 VAL 52 3.030 7.150 -7.680 295 HG13 VAL 52 3HG1 VAL 52 4.557 6.501 -7.073 296 HG21 VAL 52 3HG2 VAL 52 1.531 5.876 -5.188 297 HG22 VAL 52 1HG2 VAL 52 1.078 4.355 -5.957 298 HG23 VAL 52 2HG2 VAL 52 0.825 5.877 -6.806 299 H PHE 53 H PHE 53 0.411 5.165 -8.483 300 HA PHE 53 HA PHE 53 1.062 6.968 -10.687 301 HB2 PHE 53 1HB PHE 53 -1.501 5.470 -10.120 302 HB3 PHE 53 2HB PHE 53 -1.330 6.691 -11.372 303 HD1 PHE 53 HD2 PHE 53 -0.296 3.320 -10.305 304 HD2 PHE 53 HD1 PHE 53 -0.256 6.204 -13.433 305 HE1 PHE 53 HE2 PHE 53 0.501 1.600 -11.877 306 HE2 PHE 53 HE1 PHE 53 0.539 4.491 -15.008 307 HZ PHE 53 HZ PHE 53 0.918 2.188 -14.231 308 H ASP 54 H ASP 54 0.647 8.990 -10.385 309 HA ASP 54 HA ASP 54 0.748 9.921 -7.761 310 HB2 ASP 54 1HB ASP 54 1.819 11.008 -9.708 311 HB3 ASP 54 2HB ASP 54 0.234 11.554 -10.242 312 H ASN 55 H ASN 55 -2.008 9.349 -9.626 313 HA ASN 55 HA ASN 55 -3.621 11.278 -8.144 314 HB2 ASN 55 1HB ASN 55 -3.924 10.014 -10.825 315 HB3 ASN 55 2HB ASN 55 -5.377 10.472 -9.950 316 HD21 ASN 55 2HD2 ASN 55 -2.317 12.150 -9.782 317 HD22 ASN 55 1HD2 ASN 55 -2.854 13.578 -10.581 318 H THR 56 H THR 56 -2.650 8.215 -7.819 319 HA THR 56 HA THR 56 -5.254 7.087 -7.153 320 HB THR 56 HB THR 56 -4.116 5.018 -6.785 321 HG1 THR 56 HG1 THR 56 -2.159 5.004 -5.996 322 HG21 THR 56 3HG2 THR 56 -4.298 5.699 -9.134 323 HG22 THR 56 1HG2 THR 56 -2.871 4.702 -8.846 324 HG23 THR 56 2HG2 THR 56 -2.699 6.452 -9.023 325 HA PRO 57 HA PRO 57 -5.354 8.328 -2.986 326 HB2 PRO 57 1HB PRO 57 -5.499 5.825 -1.676 327 HB3 PRO 57 2HB PRO 57 -6.860 6.820 -2.190 328 HG2 PRO 57 1HG PRO 57 -5.631 4.464 -3.526 329 HG3 PRO 57 2HG PRO 57 -7.314 5.004 -3.520 330 HD2 PRO 57 1HD PRO 57 -5.740 5.335 -5.662 331 HD3 PRO 57 2HD PRO 57 -6.960 6.543 -5.211 332 H ALA 58 H ALA 58 -3.395 5.450 -3.508 333 HA ALA 58 HA ALA 58 -1.631 5.615 -1.383 334 HB1 ALA 58 3HB ALA 58 -0.993 4.725 -4.182 335 HB2 ALA 58 1HB ALA 58 -1.772 3.735 -2.949 336 HB3 ALA 58 2HB ALA 58 -0.117 4.288 -2.713 337 H ALA 59 H ALA 59 -1.222 7.030 -4.660 338 HA ALA 59 HA ALA 59 1.239 8.297 -3.865 339 HB1 ALA 59 3HB ALA 59 0.899 7.677 -6.164 340 HB2 ALA 59 1HB ALA 59 1.116 9.418 -6.030 341 HB3 ALA 59 2HB ALA 59 -0.501 8.745 -6.282 342 H LEU 60 H LEU 60 -2.028 9.474 -4.637 343 HA LEU 60 HA LEU 60 -1.497 12.155 -4.448 344 HB2 LEU 60 1HB LEU 60 -3.695 12.559 -4.519 345 HB3 LEU 60 2HB LEU 60 -3.470 11.092 -5.422 346 HG LEU 60 HG LEU 60 -4.295 10.133 -3.033 347 HD11 LEU 60 1HD1 LEU 60 -5.920 12.613 -3.473 348 HD12 LEU 60 2HD1 LEU 60 -4.493 12.627 -2.436 349 HD13 LEU 60 3HD1 LEU 60 -5.859 11.567 -2.046 350 HD21 LEU 60 3HD2 LEU 60 -6.018 11.160 -5.276 351 HD22 LEU 60 1HD2 LEU 60 -6.450 9.895 -4.127 352 HD23 LEU 60 2HD2 LEU 60 -5.143 9.631 -5.282 353 H ASP 61 H ASP 61 -3.435 10.714 -1.864 354 HA ASP 61 HA ASP 61 -2.421 12.794 -0.074 355 HB2 ASP 61 1HB ASP 61 -4.869 12.402 -0.196 356 HB3 ASP 61 2HB ASP 61 -4.622 10.750 0.351 357 H GLY 62 H GLY 62 -1.880 9.732 -1.043 358 HA2 GLY 62 1HA GLY 62 -1.464 8.425 1.510 359 HA3 GLY 62 2HA GLY 62 -1.004 7.790 -0.060 360 H THR 63 H THR 63 0.758 9.539 -0.963 361 HA THR 63 HA THR 63 2.921 10.011 -1.035 362 HB THR 63 HB THR 63 3.230 10.365 1.885 363 HG1 THR 63 HG1 THR 63 1.187 11.251 1.723 364 HG21 THR 63 3HG2 THR 63 3.817 11.935 -0.602 365 HG22 THR 63 1HG2 THR 63 4.957 10.941 0.300 366 HG23 THR 63 2HG2 THR 63 4.310 12.418 1.025 367 H VAL 64 H VAL 64 2.343 7.477 -1.090 368 HA VAL 64 HA VAL 64 4.621 6.202 0.272 369 HB VAL 64 HB VAL 64 3.347 4.041 0.115 370 HG11 VAL 64 1HG1 VAL 64 3.441 5.337 2.210 371 HG12 VAL 64 2HG1 VAL 64 1.928 4.444 2.038 372 HG13 VAL 64 3HG1 VAL 64 1.967 6.186 1.728 373 HG21 VAL 64 3HG2 VAL 64 0.944 5.780 -0.377 374 HG22 VAL 64 1HG2 VAL 64 1.019 4.017 -0.348 375 HG23 VAL 64 2HG2 VAL 64 1.792 4.916 -1.662 376 H ALA 65 H ALA 65 5.136 7.469 -1.905 377 HA ALA 65 HA ALA 65 4.392 6.081 -4.314 378 HB1 ALA 65 3HB ALA 65 4.385 8.527 -4.214 379 HB2 ALA 65 1HB ALA 65 5.465 7.924 -5.470 380 HB3 ALA 65 2HB ALA 65 6.129 8.516 -3.947 381 H ALA 66 H ALA 66 6.349 6.227 -6.015 382 HA ALA 66 HA ALA 66 7.662 3.857 -5.713 383 HB1 ALA 66 3HB ALA 66 8.950 4.442 -7.643 384 HB2 ALA 66 1HB ALA 66 8.662 6.161 -7.367 385 HB3 ALA 66 2HB ALA 66 7.326 5.108 -7.825 386 H GLY 67 H GLY 67 9.150 3.198 -4.343 387 HA2 GLY 67 1HA GLY 67 11.546 3.299 -3.890 388 HA3 GLY 67 2HA GLY 67 11.377 5.039 -3.740 389 H ASP 68 H ASP 68 8.726 4.317 -2.236 390 HA ASP 68 HA ASP 68 10.015 4.456 0.345 391 HB2 ASP 68 1HB ASP 68 7.136 4.624 -0.527 392 HB3 ASP 68 2HB ASP 68 7.607 4.598 1.163 393 H GLU 69 H GLU 69 9.456 3.069 2.133 394 HA GLU 69 HA GLU 69 9.100 0.300 1.246 395 HB2 GLU 69 1HB GLU 69 10.043 1.263 3.952 396 HB3 GLU 69 2HB GLU 69 10.158 -0.364 3.302 397 HG2 GLU 69 1HG GLU 69 11.749 0.435 1.617 398 HG3 GLU 69 2HG GLU 69 11.648 2.054 2.308 399 H ILE 70 H ILE 70 7.193 -0.648 1.567 400 HA ILE 70 HA ILE 70 5.481 0.306 3.761 401 HB ILE 70 HB ILE 70 4.736 -1.419 1.383 402 HG12 ILE 70 1HG1 ILE 70 3.194 0.623 0.966 403 HG13 ILE 70 2HG1 ILE 70 4.307 1.490 2.015 404 HG21 ILE 70 1HG2 ILE 70 2.431 -1.203 2.179 405 HG22 ILE 70 2HG2 ILE 70 3.006 -0.331 3.599 406 HG23 ILE 70 3HG2 ILE 70 3.454 -2.020 3.362 407 HD11 ILE 70 3HD1 ILE 70 5.062 0.059 -0.518 408 HD12 ILE 70 1HD1 ILE 70 6.133 1.015 0.504 409 HD13 ILE 70 2HD1 ILE 70 4.807 1.797 -0.360 410 H THR 71 H THR 71 6.159 -0.777 5.517 411 HA THR 71 HA THR 71 7.150 -3.462 5.296 412 HB THR 71 HB THR 71 8.358 -2.076 6.784 413 HG1 THR 71 HG1 THR 71 6.979 -4.237 7.756 414 HG21 THR 71 3HG2 THR 71 6.601 -0.417 7.237 415 HG22 THR 71 1HG2 THR 71 7.397 -0.954 8.714 416 HG23 THR 71 2HG2 THR 71 5.796 -1.571 8.302 417 H GLY 72 H GLY 72 4.046 -2.102 5.910 418 HA2 GLY 72 1HA GLY 72 3.042 -4.786 6.279 419 HA3 GLY 72 2HA GLY 72 2.860 -3.765 7.699 420 H VAL 73 H VAL 73 0.906 -5.070 6.116 421 HA VAL 73 HA VAL 73 -0.592 -2.859 4.915 422 HB VAL 73 HB VAL 73 -2.060 -4.505 3.991 423 HG11 VAL 73 1HG1 VAL 73 -0.572 -5.959 2.730 424 HG12 VAL 73 2HG1 VAL 73 0.747 -5.553 3.840 425 HG13 VAL 73 3HG1 VAL 73 0.039 -4.303 2.810 426 HG21 VAL 73 3HG2 VAL 73 -0.613 -6.628 5.569 427 HG22 VAL 73 1HG2 VAL 73 -2.021 -6.843 4.523 428 HG23 VAL 73 2HG2 VAL 73 -2.175 -5.925 6.025 429 H ASN 74 H ASN 74 -2.403 -2.084 5.913 430 HA ASN 74 HA ASN 74 -4.102 -1.858 7.400 431 HB2 ASN 74 1HB ASN 74 -4.265 -4.380 6.434 432 HB3 ASN 74 2HB ASN 74 -4.137 -4.708 8.161 433 HD21 ASN 74 2HD2 ASN 74 -6.381 -5.144 6.398 434 HD22 ASN 74 1HD2 ASN 74 -7.697 -4.239 7.060 435 H GLY 75 H GLY 75 -1.192 -2.044 8.333 436 HA2 GLY 75 1HA GLY 75 -0.454 -1.288 10.469 437 HA3 GLY 75 2HA GLY 75 -1.815 -2.124 11.198 438 H ARG 76 H ARG 76 -1.044 -4.509 9.344 439 HA ARG 76 HA ARG 76 0.872 -5.616 11.233 440 HB2 ARG 76 1HB ARG 76 -0.075 -7.766 10.261 441 HB3 ARG 76 2HB ARG 76 -1.121 -6.846 11.314 442 HG2 ARG 76 1HG ARG 76 -2.117 -5.859 9.236 443 HG3 ARG 76 2HG ARG 76 -1.201 -7.056 8.320 444 HD2 ARG 76 1HD ARG 76 -3.226 -7.668 10.469 445 HD3 ARG 76 2HD ARG 76 -3.521 -7.751 8.736 446 HE ARG 76 HE ARG 76 -1.319 -9.374 9.636 447 HH11 ARG 76 1HH1 ARG 76 -4.771 -9.233 9.059 448 HH12 ARG 76 2HH1 ARG 76 -4.957 -10.956 8.973 449 HH21 ARG 76 1HH2 ARG 76 -1.558 -11.647 9.512 450 HH22 ARG 76 2HH2 ARG 76 -3.126 -12.333 9.229 451 H SER 77 H SER 77 2.781 -6.415 10.541 452 HA SER 77 HA SER 77 3.971 -5.542 8.209 453 HB2 SER 77 1HB SER 77 4.721 -8.005 9.802 454 HB3 SER 77 2HB SER 77 5.781 -7.093 8.728 455 HG SER 77 HG SER 77 4.751 -6.383 11.251 456 H ILE 78 H ILE 78 4.351 -6.355 6.196 457 HA ILE 78 HA ILE 78 2.360 -8.206 5.210 458 HB ILE 78 HB ILE 78 2.965 -7.623 3.057 459 HG12 ILE 78 1HG1 ILE 78 5.398 -8.274 3.358 460 HG13 ILE 78 2HG1 ILE 78 5.093 -6.936 2.262 461 HG21 ILE 78 1HG2 ILE 78 2.358 -5.644 4.603 462 HG22 ILE 78 2HG2 ILE 78 2.926 -5.319 2.968 463 HG23 ILE 78 3HG2 ILE 78 4.026 -5.145 4.335 464 HD11 ILE 78 3HD1 ILE 78 6.020 -6.677 5.116 465 HD12 ILE 78 1HD1 ILE 78 5.772 -5.354 3.975 466 HD13 ILE 78 2HD1 ILE 78 7.042 -6.543 3.682 467 H LYS 79 H LYS 79 5.366 -8.365 6.533 468 HA LYS 79 HA LYS 79 6.853 -10.151 5.013 469 HB2 LYS 79 1HB LYS 79 7.748 -8.680 6.736 470 HB3 LYS 79 2HB LYS 79 6.877 -9.564 7.974 471 HG2 LYS 79 1HG LYS 79 8.241 -11.551 7.482 472 HG3 LYS 79 2HG LYS 79 9.119 -10.625 6.264 473 HD2 LYS 79 1HD LYS 79 9.693 -8.990 8.105 474 HD3 LYS 79 2HD LYS 79 9.059 -10.181 9.239 475 HE2 LYS 79 1HE LYS 79 11.462 -10.400 9.070 476 HE3 LYS 79 2HE LYS 79 10.677 -11.823 8.389 477 HZ1 LYS 79 3HZ LYS 79 11.039 -10.958 6.186 478 HZ2 LYS 79 1HZ LYS 79 12.511 -11.017 7.015 479 HZ3 LYS 79 2HZ LYS 79 11.720 -9.537 6.808 480 H GLY 80 H GLY 80 4.091 -10.726 6.900 481 HA2 GLY 80 1HA GLY 80 4.602 -13.405 7.682 482 HA3 GLY 80 2HA GLY 80 3.025 -12.642 7.565 483 H LYS 81 H LYS 81 3.647 -11.969 4.636 484 HA LYS 81 HA LYS 81 3.563 -14.658 3.508 485 HB2 LYS 81 1HB LYS 81 1.498 -14.233 2.257 486 HB3 LYS 81 2HB LYS 81 1.226 -14.203 3.990 487 HG2 LYS 81 1HG LYS 81 1.594 -11.716 2.344 488 HG3 LYS 81 2HG LYS 81 0.023 -12.457 2.642 489 HD2 LYS 81 1HD LYS 81 1.913 -11.566 4.806 490 HD3 LYS 81 2HD LYS 81 0.605 -10.582 4.173 491 HE2 LYS 81 1HE LYS 81 0.402 -13.217 5.630 492 HE3 LYS 81 2HE LYS 81 -0.151 -11.643 6.192 493 HZ1 LYS 81 3HZ LYS 81 -1.270 -13.150 3.893 494 HZ2 LYS 81 1HZ LYS 81 -1.795 -11.630 4.418 495 HZ3 LYS 81 2HZ LYS 81 -1.992 -12.983 5.410 496 H THR 82 H THR 82 2.281 -12.960 1.101 497 HA THR 82 HA THR 82 4.843 -11.975 0.102 498 HB THR 82 HB THR 82 4.519 -13.295 -2.025 499 HG1 THR 82 HG1 THR 82 2.716 -14.759 -0.345 500 HG21 THR 82 3HG2 THR 82 6.239 -13.903 -0.408 501 HG22 THR 82 1HG2 THR 82 5.530 -15.347 -1.132 502 HG23 THR 82 2HG2 THR 82 5.067 -14.860 0.499 503 H LYS 83 H LYS 83 4.554 -11.176 -2.202 504 HA LYS 83 HA LYS 83 2.977 -8.952 -2.181 505 HB2 LYS 83 1HB LYS 83 3.260 -9.489 -4.866 506 HB3 LYS 83 2HB LYS 83 4.405 -8.624 -3.859 507 HG2 LYS 83 1HG LYS 83 5.792 -10.466 -3.628 508 HG3 LYS 83 2HG LYS 83 4.509 -11.605 -4.038 509 HD2 LYS 83 1HD LYS 83 5.818 -9.667 -5.946 510 HD3 LYS 83 2HD LYS 83 6.155 -11.397 -5.845 511 HE2 LYS 83 1HE LYS 83 3.619 -11.682 -6.229 512 HE3 LYS 83 2HE LYS 83 3.669 -10.009 -6.781 513 HZ1 LYS 83 3HZ LYS 83 5.202 -12.278 -7.901 514 HZ2 LYS 83 1HZ LYS 83 5.373 -10.665 -8.388 515 HZ3 LYS 83 2HZ LYS 83 3.907 -11.474 -8.633 516 H VAL 84 H VAL 84 2.272 -11.936 -4.012 517 HA VAL 84 HA VAL 84 -0.094 -11.112 -5.148 518 HB VAL 84 HB VAL 84 1.068 -13.059 -5.926 519 HG11 VAL 84 1HG1 VAL 84 0.387 -14.359 -3.296 520 HG12 VAL 84 2HG1 VAL 84 1.985 -13.788 -3.769 521 HG13 VAL 84 3HG1 VAL 84 1.227 -15.115 -4.649 522 HG21 VAL 84 3HG2 VAL 84 -1.323 -12.989 -6.275 523 HG22 VAL 84 1HG2 VAL 84 -1.576 -13.826 -4.747 524 HG23 VAL 84 2HG2 VAL 84 -0.758 -14.647 -6.076 525 H GLU 85 H GLU 85 0.536 -12.473 -1.987 526 HA GLU 85 HA GLU 85 -2.228 -12.836 -1.324 527 HB2 GLU 85 1HB GLU 85 0.186 -12.857 0.483 528 HB3 GLU 85 2HB GLU 85 -1.399 -13.531 0.833 529 HG2 GLU 85 1HG GLU 85 -1.100 -15.139 -0.994 530 HG3 GLU 85 2HG GLU 85 0.503 -14.476 -1.293 531 H VAL 86 H VAL 86 0.242 -10.398 -0.689 532 HA VAL 86 HA VAL 86 -1.275 -9.030 1.296 533 HB VAL 86 HB VAL 86 0.321 -7.202 1.062 534 HG11 VAL 86 1HG1 VAL 86 1.490 -9.973 1.140 535 HG12 VAL 86 2HG1 VAL 86 0.982 -8.981 2.513 536 HG13 VAL 86 3HG1 VAL 86 2.397 -8.525 1.562 537 HG21 VAL 86 3HG2 VAL 86 2.246 -7.424 -0.447 538 HG22 VAL 86 1HG2 VAL 86 0.717 -7.202 -1.305 539 HG23 VAL 86 2HG2 VAL 86 1.447 -8.807 -1.200 540 H ALA 87 H ALA 87 -0.750 -8.439 -2.159 541 HA ALA 87 HA ALA 87 -2.467 -6.301 -2.618 542 HB1 ALA 87 3HB ALA 87 -1.117 -7.373 -4.367 543 HB2 ALA 87 1HB ALA 87 -2.804 -7.188 -4.848 544 HB3 ALA 87 2HB ALA 87 -2.197 -8.767 -4.341 545 H LYS 88 H LYS 88 -3.234 -9.731 -2.167 546 HA LYS 88 HA LYS 88 -6.027 -9.551 -2.540 547 HB2 LYS 88 1HB LYS 88 -4.867 -11.692 -2.521 548 HB3 LYS 88 2HB LYS 88 -4.452 -11.468 -0.827 549 HG2 LYS 88 1HG LYS 88 -6.696 -11.668 -0.161 550 HG3 LYS 88 2HG LYS 88 -7.282 -11.541 -1.821 551 HD2 LYS 88 1HD LYS 88 -6.168 -13.634 -2.380 552 HD3 LYS 88 2HD LYS 88 -5.603 -13.788 -0.717 553 HE2 LYS 88 1HE LYS 88 -8.499 -13.692 -1.556 554 HE3 LYS 88 2HE LYS 88 -7.601 -15.169 -1.210 555 HZ1 LYS 88 3HZ LYS 88 -8.904 -14.469 0.687 556 HZ2 LYS 88 1HZ LYS 88 -8.125 -12.971 0.713 557 HZ3 LYS 88 2HZ LYS 88 -7.256 -14.381 1.050 558 H MET 89 H MET 89 -4.048 -9.534 0.402 559 HA MET 89 HA MET 89 -5.958 -9.114 2.331 560 HB2 MET 89 1HB MET 89 -3.216 -7.916 2.119 561 HB3 MET 89 2HB MET 89 -4.170 -7.884 3.586 562 HG2 MET 89 1HG MET 89 -4.205 -10.379 3.502 563 HG3 MET 89 2HG MET 89 -3.070 -10.291 2.159 564 HE1 MET 89 3HE MET 89 -3.405 -8.235 5.539 565 HE2 MET 89 1HE MET 89 -2.207 -9.075 6.522 566 HE3 MET 89 2HE MET 89 -3.651 -9.925 5.973 567 H ILE 90 H ILE 90 -4.415 -6.780 0.240 568 HA ILE 90 HA ILE 90 -5.713 -4.497 1.297 569 HB ILE 90 HB ILE 90 -4.159 -5.036 -1.224 570 HG12 ILE 90 1HG1 ILE 90 -3.544 -3.191 1.078 571 HG13 ILE 90 2HG1 ILE 90 -3.143 -4.903 1.121 572 HG21 ILE 90 1HG2 ILE 90 -5.936 -3.280 -1.611 573 HG22 ILE 90 2HG2 ILE 90 -4.269 -2.774 -1.884 574 HG23 ILE 90 3HG2 ILE 90 -5.108 -2.299 -0.398 575 HD11 ILE 90 3HD1 ILE 90 -2.163 -2.979 -0.967 576 HD12 ILE 90 1HD1 ILE 90 -1.666 -4.655 -0.744 577 HD13 ILE 90 2HD1 ILE 90 -1.262 -3.446 0.475 578 H GLN 91 H GLN 91 -6.364 -6.485 -1.631 579 HA GLN 91 HA GLN 91 -8.624 -5.002 -2.435 580 HB2 GLN 91 1HB GLN 91 -7.716 -7.812 -2.982 581 HB3 GLN 91 2HB GLN 91 -9.207 -7.174 -3.639 582 HG2 GLN 91 1HG GLN 91 -8.014 -5.447 -4.807 583 HG3 GLN 91 2HG GLN 91 -6.506 -5.962 -4.071 584 HE21 GLN 91 2HE2 GLN 91 -8.992 -8.126 -5.251 585 HE22 GLN 91 1HE2 GLN 91 -8.069 -8.776 -6.558 586 H GLU 92 H GLU 92 -8.202 -7.605 -0.153 587 HA GLU 92 HA GLU 92 -10.858 -8.437 0.131 588 HB2 GLU 92 1HB GLU 92 -9.210 -9.814 1.050 589 HB3 GLU 92 2HB GLU 92 -8.440 -8.510 1.916 590 HG2 GLU 92 1HG GLU 92 -10.282 -8.410 3.475 591 HG3 GLU 92 2HG GLU 92 -11.156 -9.631 2.557 592 H VAL 93 H VAL 93 -8.985 -6.052 1.913 593 HA VAL 93 HA VAL 93 -11.208 -5.144 3.475 594 HB VAL 93 HB VAL 93 -9.758 -3.460 4.354 595 HG11 VAL 93 1HG1 VAL 93 -9.339 -5.679 5.170 596 HG12 VAL 93 2HG1 VAL 93 -7.807 -4.816 5.036 597 HG13 VAL 93 3HG1 VAL 93 -8.256 -6.013 3.817 598 HG21 VAL 93 3HG2 VAL 93 -8.809 -2.665 2.220 599 HG22 VAL 93 1HG2 VAL 93 -7.798 -4.116 2.153 600 HG23 VAL 93 2HG2 VAL 93 -7.564 -2.943 3.452 601 H LYS 94 H LYS 94 -11.988 -5.130 0.858 602 HA LYS 94 HA LYS 94 -11.565 -2.983 -0.761 603 HB2 LYS 94 1HB LYS 94 -13.867 -3.375 -1.642 604 HB3 LYS 94 2HB LYS 94 -12.882 -4.824 -1.523 605 HG2 LYS 94 1HG LYS 94 -14.027 -5.338 0.633 606 HG3 LYS 94 2HG LYS 94 -15.102 -3.975 0.321 607 HD2 LYS 94 1HD LYS 94 -14.739 -6.316 -1.544 608 HD3 LYS 94 2HD LYS 94 -16.032 -6.188 -0.355 609 HE2 LYS 94 1HE LYS 94 -15.537 -4.218 -2.582 610 HE3 LYS 94 2HE LYS 94 -16.721 -5.520 -2.635 611 HZ1 LYS 94 3HZ LYS 94 -17.827 -4.522 -0.717 612 HZ2 LYS 94 1HZ LYS 94 -17.760 -3.449 -2.022 613 HZ3 LYS 94 2HZ LYS 94 -16.708 -3.255 -0.717 614 H GLY 95 H GLY 95 -12.147 -0.940 -0.904 615 HA2 GLY 95 1HA GLY 95 -13.783 0.809 -0.571 616 HA3 GLY 95 2HA GLY 95 -14.142 0.093 0.993 617 H GLU 96 H GLU 96 -11.304 -0.334 1.648 618 HA GLU 96 HA GLU 96 -10.341 2.406 1.855 619 HB2 GLU 96 1HB GLU 96 -10.114 2.321 4.249 620 HB3 GLU 96 2HB GLU 96 -11.792 1.990 3.828 621 HG2 GLU 96 1HG GLU 96 -11.449 -0.348 4.126 622 HG3 GLU 96 2HG GLU 96 -9.743 -0.114 4.413 623 H VAL 97 H VAL 97 -8.274 2.336 3.216 624 HA VAL 97 HA VAL 97 -6.693 -0.078 3.000 625 HB VAL 97 HB VAL 97 -4.891 0.779 1.694 626 HG11 VAL 97 1HG1 VAL 97 -5.826 1.076 -0.485 627 HG12 VAL 97 2HG1 VAL 97 -7.369 1.587 0.199 628 HG13 VAL 97 3HG1 VAL 97 -6.821 -0.080 0.402 629 HG21 VAL 97 3HG2 VAL 97 -4.897 3.034 0.701 630 HG22 VAL 97 1HG2 VAL 97 -4.848 3.059 2.465 631 HG23 VAL 97 2HG2 VAL 97 -6.357 3.405 1.620 632 H THR 98 H THR 98 -4.897 -0.051 4.356 633 HA THR 98 HA THR 98 -4.124 2.479 5.589 634 HB THR 98 HB THR 98 -4.553 -0.052 7.192 635 HG1 THR 98 HG1 THR 98 -6.520 1.029 6.568 636 HG21 THR 98 3HG2 THR 98 -2.722 1.346 8.024 637 HG22 THR 98 1HG2 THR 98 -4.096 1.376 9.128 638 HG23 THR 98 2HG2 THR 98 -3.800 2.742 8.054 639 H ILE 99 H ILE 99 -2.017 2.727 5.206 640 HA ILE 99 HA ILE 99 -0.408 0.318 4.699 641 HB ILE 99 HB ILE 99 1.248 2.221 3.842 642 HG12 ILE 99 1HG1 ILE 99 -0.495 4.007 4.385 643 HG13 ILE 99 2HG1 ILE 99 0.235 4.058 2.787 644 HG21 ILE 99 1HG2 ILE 99 -0.998 1.065 2.211 645 HG22 ILE 99 2HG2 ILE 99 0.561 0.309 2.548 646 HG23 ILE 99 3HG2 ILE 99 0.485 1.776 1.568 647 HD11 ILE 99 3HD1 ILE 99 -2.130 4.498 2.651 648 HD12 ILE 99 1HD1 ILE 99 -2.486 2.971 3.453 649 HD13 ILE 99 2HD1 ILE 99 -1.753 2.974 1.849 650 H HIS 100 H HIS 100 1.140 -0.240 6.058 651 HA HIS 100 HA HIS 100 2.070 1.725 8.039 652 HB2 HIS 100 1HB HIS 100 1.384 -0.933 8.355 653 HB3 HIS 100 2HB HIS 100 3.131 -1.008 8.180 654 HD1 HIS 100 HD1 HIS 100 4.143 -1.168 10.419 655 HD2 HIS 100 HD2 HIS 100 0.888 1.410 10.374 656 HE1 HIS 100 HE1 HIS 100 4.001 -0.218 12.743 657 HE2 HIS 100 HE2 HIS 100 1.898 1.169 12.740 658 H TYR 101 H TYR 101 3.941 2.721 7.585 659 HA TYR 101 HA TYR 101 5.647 1.460 5.554 660 HB2 TYR 101 1HB TYR 101 6.151 3.762 4.710 661 HB3 TYR 101 2HB TYR 101 4.494 3.231 4.456 662 HD1 TYR 101 HD2 TYR 101 6.600 5.296 6.738 663 HD2 TYR 101 HD1 TYR 101 2.718 4.562 5.161 664 HE1 TYR 101 HE2 TYR 101 5.782 7.352 7.811 665 HE2 TYR 101 HE1 TYR 101 1.895 6.610 6.229 666 HH TYR 101 HH TYR 101 4.016 8.937 7.653 667 H ASN 102 H ASN 102 7.816 2.147 5.458 668 HA ASN 102 HA ASN 102 8.945 3.317 7.880 669 HB2 ASN 102 1HB ASN 102 10.844 1.601 7.520 670 HB3 ASN 102 2HB ASN 102 9.403 1.064 8.349 671 HD21 ASN 102 2HD2 ASN 102 11.513 -0.351 6.818 672 HD22 ASN 102 1HD2 ASN 102 10.673 -1.263 5.619 673 H LYS 103 H LYS 103 10.980 4.422 7.473 674 HA LYS 103 HA LYS 103 11.142 5.223 4.649 675 HB2 LYS 103 1HB LYS 103 11.251 6.982 7.094 676 HB3 LYS 103 2HB LYS 103 11.459 7.536 5.437 677 HG2 LYS 103 1HG LYS 103 8.984 6.476 6.755 678 HG3 LYS 103 2HG LYS 103 9.240 8.048 5.999 679 HD2 LYS 103 1HD LYS 103 9.622 6.738 3.844 680 HD3 LYS 103 2HD LYS 103 8.914 5.370 4.694 681 HE2 LYS 103 1HE LYS 103 6.919 6.747 5.169 682 HE3 LYS 103 2HE LYS 103 7.607 8.035 4.192 683 HZ1 LYS 103 3HZ LYS 103 6.032 6.731 2.935 684 HZ2 LYS 103 1HZ LYS 103 6.914 5.318 3.233 685 HZ3 LYS 103 2HZ LYS 103 7.588 6.553 2.290 686 H LEU 104 H LEU 104 12.957 5.690 7.703 687 HA LEU 104 HA LEU 104 15.060 6.548 7.954 688 HB2 LEU 104 1HB LEU 104 16.708 4.644 6.828 689 HB3 LEU 104 2HB LEU 104 16.113 4.683 8.474 690 HG LEU 104 HG LEU 104 14.118 3.366 7.514 691 HD11 LEU 104 1HD1 LEU 104 14.420 2.103 5.606 692 HD12 LEU 104 2HD1 LEU 104 16.133 2.526 5.495 693 HD13 LEU 104 3HD1 LEU 104 14.899 3.746 5.157 694 HD21 LEU 104 3HD2 LEU 104 16.833 2.149 7.848 695 HD22 LEU 104 1HD2 LEU 104 15.310 1.260 7.860 696 HD23 LEU 104 2HD2 LEU 104 15.638 2.455 9.111 697 H GLN 105 H GLN 105 16.300 4.915 5.178 698 HA GLN 105 HA GLN 105 16.155 7.117 3.420 699 HB2 GLN 105 1HB GLN 105 17.824 7.975 5.046 700 HB3 GLN 105 2HB GLN 105 18.853 6.601 4.682 701 HG2 GLN 105 1HG GLN 105 19.068 7.362 2.376 702 HG3 GLN 105 2HG GLN 105 18.010 8.729 2.726 703 HE21 GLN 105 2HE2 GLN 105 21.157 7.341 3.214 704 HE22 GLN 105 1HE2 GLN 105 21.913 8.770 3.836 705 H ALA 106 H ALA 106 15.314 5.098 2.455 706 HA ALA 106 HA ALA 106 17.446 3.957 0.845 707 HB1 ALA 106 3HB ALA 106 16.791 1.693 1.115 708 HB2 ALA 106 1HB ALA 106 15.445 2.152 2.164 709 HB3 ALA 106 2HB ALA 106 17.105 2.380 2.717 710 H ASP 107 H ASP 107 16.560 2.556 -0.874 711 HA ASP 107 HA ASP 107 14.093 2.759 -2.077 712 HB2 ASP 107 1HB ASP 107 14.236 5.176 -2.094 713 HB3 ASP 107 2HB ASP 107 15.935 5.132 -2.529 714 HA PRO 108 HA PRO 108 16.028 0.064 -5.171 715 HB2 PRO 108 1HB PRO 108 15.523 2.492 -6.876 716 HB3 PRO 108 2HB PRO 108 15.417 0.793 -7.322 717 HG2 PRO 108 1HG PRO 108 13.234 2.183 -6.624 718 HG3 PRO 108 2HG PRO 108 13.423 0.475 -6.183 719 HD2 PRO 108 1HD PRO 108 13.443 2.841 -4.459 720 HD3 PRO 108 2HD PRO 108 13.321 1.129 -4.007 721 H LYS 109 H LYS 109 16.901 3.503 -5.276 722 HA LYS 109 HA LYS 109 19.472 3.201 -6.402 723 HB2 LYS 109 1HB LYS 109 19.912 5.469 -5.504 724 HB3 LYS 109 2HB LYS 109 18.395 5.370 -6.384 725 HG2 LYS 109 1HG LYS 109 17.167 5.295 -4.298 726 HG3 LYS 109 2HG LYS 109 18.674 5.287 -3.381 727 HD2 LYS 109 1HD LYS 109 18.096 7.512 -3.265 728 HD3 LYS 109 2HD LYS 109 19.120 7.516 -4.697 729 HE2 LYS 109 1HE LYS 109 16.113 7.311 -4.754 730 HE3 LYS 109 2HE LYS 109 17.004 8.817 -4.938 731 HZ1 LYS 109 3HZ LYS 109 16.386 7.939 -7.075 732 HZ2 LYS 109 1HZ LYS 109 17.146 6.468 -6.747 733 HZ3 LYS 109 2HZ LYS 109 18.067 7.875 -6.918 734 H GLN 110 H GLN 110 18.471 3.503 -3.015 735 HA GLN 110 HA GLN 110 21.165 3.132 -2.051 736 HB2 GLN 110 1HB GLN 110 18.506 3.685 -0.803 737 HB3 GLN 110 2HB GLN 110 19.913 3.328 0.164 738 HG2 GLN 110 1HG GLN 110 19.597 5.608 -1.746 739 HG3 GLN 110 2HG GLN 110 19.546 5.694 0.007 740 HE21 GLN 110 2HE2 GLN 110 21.317 7.039 -1.870 741 HE22 GLN 110 1HE2 GLN 110 22.925 6.591 -1.420 742 H LEU 111 H LEU 111 18.562 1.270 -2.921 743 HA LEU 111 HA LEU 111 18.705 -0.777 -0.937 744 HB2 LEU 111 1HB LEU 111 16.617 -0.208 -2.113 745 HB3 LEU 111 2HB LEU 111 17.367 -0.629 -3.641 746 HG LEU 111 HG LEU 111 15.714 -2.301 -2.568 747 HD11 LEU 111 1HD1 LEU 111 18.419 -3.257 -3.493 748 HD12 LEU 111 2HD1 LEU 111 17.077 -2.789 -4.538 749 HD13 LEU 111 3HD1 LEU 111 16.927 -4.198 -3.489 750 HD21 LEU 111 3HD2 LEU 111 16.688 -2.299 -0.332 751 HD22 LEU 111 1HD2 LEU 111 18.199 -2.939 -0.981 752 HD23 LEU 111 2HD2 LEU 111 16.729 -3.914 -1.041 753 H GLU 112 H GLU 112 19.774 -0.415 -4.305 754 HA GLU 112 HA GLU 112 21.090 -2.931 -4.443 755 HB2 GLU 112 1HB GLU 112 22.253 -1.931 -6.404 756 HB3 GLU 112 2HB GLU 112 20.502 -1.748 -6.473 757 HG2 GLU 112 1HG GLU 112 20.610 0.520 -5.897 758 HG3 GLU 112 2HG GLU 112 22.291 0.385 -5.382 759 H VAL 113 H VAL 113 21.996 0.254 -3.323 760 HA VAL 113 HA VAL 113 24.777 -0.230 -2.975 761 HB VAL 113 HB VAL 113 22.954 1.727 -1.556 762 HG11 VAL 113 1HG1 VAL 113 25.001 2.963 -1.012 763 HG12 VAL 113 2HG1 VAL 113 25.964 1.655 -1.699 764 HG13 VAL 113 3HG1 VAL 113 24.978 1.365 -0.266 765 HG21 VAL 113 3HG2 VAL 113 23.003 2.076 -3.950 766 HG22 VAL 113 1HG2 VAL 113 24.766 2.081 -3.932 767 HG23 VAL 113 2HG2 VAL 113 23.873 3.369 -3.124 768 H LEU 114 H LEU 114 21.918 -0.899 -1.165 769 HA LEU 114 HA LEU 114 23.194 -1.506 1.326 770 HB2 LEU 114 1HB LEU 114 20.773 -0.816 0.978 771 HB3 LEU 114 2HB LEU 114 20.488 -2.414 0.327 772 HG LEU 114 HG LEU 114 21.576 -2.084 3.110 773 HD11 LEU 114 1HD1 LEU 114 19.588 -0.676 2.984 774 HD12 LEU 114 2HD1 LEU 114 19.275 -2.125 3.942 775 HD13 LEU 114 3HD1 LEU 114 18.675 -2.013 2.287 776 HD21 LEU 114 3HD2 LEU 114 21.591 -4.324 2.140 777 HD22 LEU 114 1HD2 LEU 114 19.869 -4.190 1.779 778 HD23 LEU 114 2HD2 LEU 114 20.420 -4.219 3.454 779 H PHE 115 H PHE 115 22.474 -3.075 -1.645 780 HA PHE 115 HA PHE 115 23.261 -5.686 -0.544 781 HB2 PHE 115 1HB PHE 115 21.096 -5.267 -1.914 782 HB3 PHE 115 2HB PHE 115 22.169 -5.211 -3.305 783 HD1 PHE 115 HD2 PHE 115 20.945 -7.322 -0.543 784 HD2 PHE 115 HD1 PHE 115 23.037 -7.225 -4.246 785 HE1 PHE 115 HE2 PHE 115 20.854 -9.778 -0.656 786 HE2 PHE 115 HE1 PHE 115 22.951 -9.679 -4.364 787 HZ PHE 115 HZ PHE 115 21.859 -10.958 -2.567 788 H GLN 116 H GLN 116 25.149 -3.621 -0.905 789 HA GLN 116 HA GLN 116 27.278 -3.325 -1.589 790 HB2 GLN 116 1HB GLN 116 27.578 -5.740 -1.438 791 HB3 GLN 116 2HB GLN 116 26.915 -5.945 -3.052 792 HG2 GLN 116 1HG GLN 116 29.317 -6.120 -3.113 793 HG3 GLN 116 2HG GLN 116 28.799 -4.673 -3.973 794 HE21 GLN 116 2HE2 GLN 116 30.774 -3.665 -3.750 795 HE22 GLN 116 1HE2 GLN 116 31.346 -3.051 -2.240 796 H GLY 117 H GLY 117 25.801 -4.852 -4.477 797 HA2 GLY 117 1HA GLY 117 25.667 -2.358 -5.885 798 HA3 GLY 117 2HA GLY 117 27.049 -3.325 -6.383 799 HA PRO 118 HA PRO 118 24.682 -6.366 -8.716 800 HB2 PRO 118 1HB PRO 118 24.198 -8.431 -6.875 801 HB3 PRO 118 2HB PRO 118 25.578 -8.295 -7.957 802 HG2 PRO 118 1HG PRO 118 25.355 -7.482 -5.100 803 HG3 PRO 118 2HG PRO 118 26.695 -8.294 -5.937 804 HD2 PRO 118 1HD PRO 118 26.882 -5.721 -5.430 805 HD3 PRO 118 2HD PRO 118 27.340 -6.319 -7.042 806 H GLN 119 H GLN 119 22.704 -5.510 -9.125 807 HA GLN 119 HA GLN 119 20.732 -5.297 -7.021 808 HB2 GLN 119 1HB GLN 119 19.285 -4.369 -8.888 809 HB3 GLN 119 2HB GLN 119 20.720 -3.449 -8.475 810 HG2 GLN 119 1HG GLN 119 20.615 -3.405 -10.805 811 HG3 GLN 119 2HG GLN 119 21.847 -4.605 -10.433 812 HE21 GLN 119 2HE2 GLN 119 21.505 -6.729 -10.980 813 HE22 GLN 119 1HE2 GLN 119 20.170 -7.249 -11.950 814 H PHE 120 H PHE 120 18.375 -5.950 -7.817 815 HA PHE 120 HA PHE 120 18.396 -8.499 -9.194 816 HB2 PHE 120 1HB PHE 120 17.008 -9.503 -7.259 817 HB3 PHE 120 2HB PHE 120 18.756 -9.434 -7.094 818 HD1 PHE 120 HD1 PHE 120 15.598 -7.806 -6.058 819 HD2 PHE 120 HD2 PHE 120 19.768 -8.251 -5.337 820 HE1 PHE 120 HE1 PHE 120 15.349 -6.637 -3.908 821 HE2 PHE 120 HE2 PHE 120 19.525 -7.083 -3.188 822 HZ PHE 120 HZ PHE 120 17.314 -6.275 -2.469 823 H THR 121 H THR 121 16.754 -8.626 -10.495 824 HA THR 121 HA THR 121 14.106 -7.907 -9.699 825 HB THR 121 HB THR 121 14.763 -5.693 -10.360 826 HG1 THR 121 HG1 THR 121 13.105 -5.332 -11.690 827 HG21 THR 121 3HG2 THR 121 15.602 -5.161 -12.610 828 HG22 THR 121 1HG2 THR 121 15.691 -6.885 -12.975 829 HG23 THR 121 2HG2 THR 121 16.717 -6.197 -11.716 830 H LEU 122 H LEU 122 13.691 -10.045 -10.072 831 HA LEU 122 HA LEU 122 14.518 -11.348 -12.485 832 HB2 LEU 122 1HB LEU 122 12.720 -12.251 -10.236 833 HB3 LEU 122 2HB LEU 122 13.151 -13.262 -11.600 834 HG LEU 122 HG LEU 122 15.573 -12.969 -10.904 835 HD11 LEU 122 1HD1 LEU 122 14.293 -11.926 -8.382 836 HD12 LEU 122 2HD1 LEU 122 15.311 -11.006 -9.488 837 HD13 LEU 122 3HD1 LEU 122 15.993 -12.353 -8.579 838 HD21 LEU 122 3HD2 LEU 122 13.688 -14.336 -8.994 839 HD22 LEU 122 1HD2 LEU 122 15.414 -14.663 -9.152 840 HD23 LEU 122 2HD2 LEU 122 14.325 -15.010 -10.494 841 H ARG 123 H ARG 123 11.219 -11.446 -11.189 842 HA ARG 123 HA ARG 123 10.059 -9.920 -13.264 843 HB2 ARG 123 1HB ARG 123 8.959 -11.628 -14.562 844 HB3 ARG 123 2HB ARG 123 10.692 -11.907 -14.603 845 HG2 ARG 123 1HG ARG 123 10.538 -13.749 -13.154 846 HG3 ARG 123 2HG ARG 123 8.889 -13.337 -12.680 847 HD2 ARG 123 1HD ARG 123 9.774 -14.245 -15.416 848 HD3 ARG 123 2HD ARG 123 8.925 -15.228 -14.223 849 HE ARG 123 HE ARG 123 7.502 -12.833 -14.847 850 HH11 ARG 123 1HH1 ARG 123 8.179 -16.069 -16.000 851 HH12 ARG 123 2HH1 ARG 123 6.707 -16.186 -16.912 852 HH21 ARG 123 1HH2 ARG 123 5.567 -12.989 -16.024 853 HH22 ARG 123 2HH2 ARG 123 5.211 -14.436 -16.914 854 H HIS 124 H HIS 124 9.930 -11.183 -10.275 855 HA HIS 124 HA HIS 124 7.070 -11.692 -10.269 856 HB2 HIS 124 1HB HIS 124 7.379 -12.217 -7.834 857 HB3 HIS 124 2HB HIS 124 8.265 -13.255 -8.934 858 HD1 HIS 124 HD1 HIS 124 10.810 -13.276 -8.733 859 HD2 HIS 124 HD2 HIS 124 8.973 -10.557 -6.189 860 HE1 HIS 124 HE1 HIS 124 12.586 -12.576 -7.102 861 HE2 HIS 124 HE2 HIS 124 11.365 -11.157 -5.413 862 H TRP 125 H TRP 125 6.204 -9.745 -10.737 863 HA TRP 125 HA TRP 125 6.811 -7.500 -8.942 864 HB2 TRP 125 1HB TRP 125 5.824 -6.078 -10.706 865 HB3 TRP 125 2HB TRP 125 7.172 -7.036 -11.309 866 HD1 TRP 125 HD1 TRP 125 6.483 -9.218 -12.862 867 HE1 TRP 125 HE1 TRP 125 4.490 -9.521 -14.464 868 HE3 TRP 125 HE3 TRP 125 3.474 -5.473 -11.122 869 HZ2 TRP 125 HZ2 TRP 125 1.980 -8.321 -14.929 870 HZ3 TRP 125 HZ3 TRP 125 1.300 -5.113 -12.204 871 HH2 TRP 125 HH2 TRP 125 0.567 -6.507 -14.068 872 H LEU 126 H LEU 126 4.957 -6.075 -8.386 873 HA LEU 126 HA LEU 126 2.476 -7.622 -8.028 874 HB2 LEU 126 1HB LEU 126 4.108 -7.390 -6.013 875 HB3 LEU 126 2HB LEU 126 3.552 -5.759 -5.947 876 HG LEU 126 HG LEU 126 2.555 -7.620 -4.448 877 HD11 LEU 126 1HD1 LEU 126 2.004 -5.280 -4.542 878 HD12 LEU 126 2HD1 LEU 126 0.610 -6.299 -4.201 879 HD13 LEU 126 3HD1 LEU 126 0.835 -5.611 -5.810 880 HD21 LEU 126 3HD2 LEU 126 0.844 -7.884 -6.923 881 HD22 LEU 126 1HD2 LEU 126 0.483 -8.567 -5.342 882 HD23 LEU 126 2HD2 LEU 126 1.882 -9.133 -6.249 883 H LYS 127 H LYS 127 0.618 -6.220 -7.485 884 HA LYS 127 HA LYS 127 0.789 -3.421 -8.062 885 HB2 LYS 127 1HB LYS 127 -0.838 -3.499 -9.937 886 HB3 LYS 127 2HB LYS 127 0.708 -4.229 -10.340 887 HG2 LYS 127 1HG LYS 127 -0.209 -6.434 -10.131 888 HG3 LYS 127 2HG LYS 127 -1.726 -5.792 -9.502 889 HD2 LYS 127 1HD LYS 127 -2.141 -4.673 -11.638 890 HD3 LYS 127 2HD LYS 127 -0.619 -5.302 -12.267 891 HE2 LYS 127 1HE LYS 127 -2.456 -6.657 -13.061 892 HE3 LYS 127 2HE LYS 127 -1.457 -7.593 -11.952 893 HZ1 LYS 127 3HZ LYS 127 -4.003 -6.253 -11.222 894 HZ2 LYS 127 1HZ LYS 127 -3.070 -7.240 -10.215 895 HZ3 LYS 127 2HZ LYS 127 -3.841 -7.898 -11.568 896 H VAL 128 H VAL 128 -0.494 -2.543 -6.588 897 HA VAL 128 HA VAL 128 -3.250 -3.218 -6.624 898 HB VAL 128 HB VAL 128 -2.476 -4.794 -4.899 899 HG11 VAL 128 1HG1 VAL 128 -1.798 -4.033 -2.725 900 HG12 VAL 128 2HG1 VAL 128 -1.807 -2.359 -3.292 901 HG13 VAL 128 3HG1 VAL 128 -0.644 -3.513 -3.956 902 HG21 VAL 128 3HG2 VAL 128 -4.275 -2.604 -3.954 903 HG22 VAL 128 1HG2 VAL 128 -4.187 -4.233 -3.284 904 HG23 VAL 128 2HG2 VAL 128 -4.732 -3.991 -4.943 Start of MODEL 17 1 H1 GLY 13 1H GLY 13 12.162 -11.627 16.006 2 H2 GLY 13 2H GLY 13 10.926 -12.769 15.845 3 H3 GLY 13 3H GLY 13 10.641 -11.326 16.679 4 HA2 GLY 13 1HA GLY 13 11.232 -11.558 13.785 5 HA3 GLY 13 2HA GLY 13 9.646 -11.262 14.480 6 H SER 14 H SER 14 9.488 -9.279 13.353 7 HA SER 14 HA SER 14 11.107 -7.148 14.572 8 HB2 SER 14 1HB SER 14 10.868 -5.911 12.391 9 HB3 SER 14 2HB SER 14 11.868 -7.360 12.300 10 HG SER 14 HG SER 14 9.118 -7.521 11.737 11 HA PRO 15 HA PRO 15 6.754 -6.098 15.437 12 HB2 PRO 15 1HB PRO 15 7.153 -5.161 17.926 13 HB3 PRO 15 2HB PRO 15 7.038 -6.892 17.586 14 HG2 PRO 15 1HG PRO 15 9.461 -5.210 18.064 15 HG3 PRO 15 2HG PRO 15 9.109 -6.855 18.623 16 HD2 PRO 15 1HD PRO 15 10.704 -6.250 16.458 17 HD3 PRO 15 2HD PRO 15 9.866 -7.796 16.684 18 H GLY 16 H GLY 16 9.721 -4.267 15.641 19 HA2 GLY 16 1HA GLY 16 8.170 -1.764 15.454 20 HA3 GLY 16 2HA GLY 16 9.754 -1.882 16.204 21 H ILE 17 H ILE 17 8.307 -0.648 13.641 22 HA ILE 17 HA ILE 17 10.346 -1.372 11.691 23 HB ILE 17 HB ILE 17 9.050 0.056 10.127 24 HG12 ILE 17 1HG1 ILE 17 7.192 0.371 12.488 25 HG13 ILE 17 2HG1 ILE 17 8.073 1.646 11.651 26 HG21 ILE 17 1HG2 ILE 17 7.556 -2.110 11.573 27 HG22 ILE 17 2HG2 ILE 17 8.649 -2.293 10.200 28 HG23 ILE 17 3HG2 ILE 17 7.106 -1.461 9.996 29 HD11 ILE 17 3HD1 ILE 17 5.913 -0.046 10.424 30 HD12 ILE 17 1HD1 ILE 17 6.755 1.304 9.661 31 HD13 ILE 17 2HD1 ILE 17 5.702 1.590 11.047 32 HA PRO 18 HA PRO 18 13.212 1.687 12.457 33 HB2 PRO 18 1HB PRO 18 13.701 2.850 10.007 34 HB3 PRO 18 2HB PRO 18 14.336 1.281 10.513 35 HG2 PRO 18 1HG PRO 18 11.950 1.905 8.832 36 HG3 PRO 18 2HG PRO 18 13.177 0.648 8.612 37 HD2 PRO 18 1HD PRO 18 10.791 0.078 9.610 38 HD3 PRO 18 2HD PRO 18 12.232 -0.726 10.229 39 H VAL 19 H VAL 19 11.595 3.470 9.852 40 HA VAL 19 HA VAL 19 10.880 5.545 11.765 41 HB VAL 19 HB VAL 19 10.512 6.684 9.327 42 HG11 VAL 19 1HG1 VAL 19 11.672 7.680 11.230 43 HG12 VAL 19 2HG1 VAL 19 12.623 7.860 9.756 44 HG13 VAL 19 3HG1 VAL 19 13.055 6.627 10.941 45 HG21 VAL 19 3HG2 VAL 19 12.502 6.170 7.982 46 HG22 VAL 19 1HG2 VAL 19 11.433 4.776 8.148 47 HG23 VAL 19 2HG2 VAL 19 12.904 4.877 9.112 48 HA PRO 20 HA PRO 20 6.954 3.320 11.005 49 HB2 PRO 20 1HB PRO 20 6.113 5.223 13.094 50 HB3 PRO 20 2HB PRO 20 5.902 3.475 13.017 51 HG2 PRO 20 1HG PRO 20 7.711 4.662 14.644 52 HG3 PRO 20 2HG PRO 20 7.944 3.049 13.951 53 HD2 PRO 20 1HD PRO 20 9.264 5.602 13.254 54 HD3 PRO 20 2HD PRO 20 9.832 3.939 13.049 55 H GLY 21 H GLY 21 5.654 3.873 9.458 56 HA2 GLY 21 1HA GLY 21 4.505 6.570 9.405 57 HA3 GLY 21 2HA GLY 21 5.241 5.928 7.938 58 H LYS 22 H LYS 22 2.386 6.624 8.744 59 HA LYS 22 HA LYS 22 1.147 4.327 7.544 60 HB2 LYS 22 1HB LYS 22 -0.433 3.987 9.481 61 HB3 LYS 22 2HB LYS 22 1.216 3.439 9.752 62 HG2 LYS 22 1HG LYS 22 1.681 5.519 10.982 63 HG3 LYS 22 2HG LYS 22 -0.004 6.001 10.761 64 HD2 LYS 22 1HD LYS 22 -0.736 4.034 11.999 65 HD3 LYS 22 2HD LYS 22 0.941 3.519 12.191 66 HE2 LYS 22 1HE LYS 22 1.429 5.517 13.481 67 HE3 LYS 22 2HE LYS 22 -0.215 6.100 13.236 68 HZ1 LYS 22 3HZ LYS 22 0.541 3.634 14.703 69 HZ2 LYS 22 1HZ LYS 22 -1.037 4.194 14.465 70 HZ3 LYS 22 2HZ LYS 22 0.045 5.089 15.406 71 H VAL 23 H VAL 23 -0.554 4.946 6.385 72 HA VAL 23 HA VAL 23 -2.052 7.312 7.232 73 HB VAL 23 HB VAL 23 -0.504 8.189 5.588 74 HG11 VAL 23 1HG1 VAL 23 0.131 6.158 4.460 75 HG12 VAL 23 2HG1 VAL 23 -0.446 7.337 3.279 76 HG13 VAL 23 3HG1 VAL 23 -1.487 6.000 3.775 77 HG21 VAL 23 3HG2 VAL 23 -2.015 9.059 3.904 78 HG22 VAL 23 1HG2 VAL 23 -2.795 9.045 5.488 79 HG23 VAL 23 2HG2 VAL 23 -3.194 7.803 4.297 80 H THR 24 H THR 24 -4.264 7.258 6.590 81 HA THR 24 HA THR 24 -5.068 4.620 5.582 82 HB THR 24 HB THR 24 -5.812 4.869 7.859 83 HG1 THR 24 HG1 THR 24 -7.860 4.264 7.487 84 HG21 THR 24 3HG2 THR 24 -7.184 7.406 6.966 85 HG22 THR 24 1HG2 THR 24 -5.791 7.299 8.040 86 HG23 THR 24 2HG2 THR 24 -7.347 6.653 8.551 87 H LEU 25 H LEU 25 -6.043 4.530 3.713 88 HA LEU 25 HA LEU 25 -7.289 6.960 2.613 89 HB2 LEU 25 1HB LEU 25 -5.763 4.902 1.033 90 HB3 LEU 25 2HB LEU 25 -6.314 6.477 0.498 91 HG LEU 25 HG LEU 25 -4.315 6.223 2.712 92 HD11 LEU 25 1HD1 LEU 25 -3.697 6.383 -0.229 93 HD12 LEU 25 2HD1 LEU 25 -3.512 4.942 0.772 94 HD13 LEU 25 3HD1 LEU 25 -2.539 6.373 1.102 95 HD21 LEU 25 3HD2 LEU 25 -4.862 8.363 0.671 96 HD22 LEU 25 1HD2 LEU 25 -3.727 8.459 2.013 97 HD23 LEU 25 2HD2 LEU 25 -5.456 8.366 2.330 98 H GLN 26 H GLN 26 -8.220 5.957 0.292 99 HA GLN 26 HA GLN 26 -9.825 3.639 0.968 100 HB2 GLN 26 1HB GLN 26 -10.844 6.282 -0.025 101 HB3 GLN 26 2HB GLN 26 -11.763 4.792 -0.214 102 HG2 GLN 26 1HG GLN 26 -11.889 4.483 2.136 103 HG3 GLN 26 2HG GLN 26 -10.766 5.804 2.421 104 HE21 GLN 26 2HE2 GLN 26 -13.447 5.420 3.438 105 HE22 GLN 26 1HE2 GLN 26 -14.369 6.789 2.922 106 H LYS 27 H LYS 27 -10.354 2.356 -0.662 107 HA LYS 27 HA LYS 27 -8.488 1.885 -2.604 108 HB2 LYS 27 1HB LYS 27 -11.419 1.193 -2.790 109 HB3 LYS 27 2HB LYS 27 -10.136 0.450 -3.714 110 HG2 LYS 27 1HG LYS 27 -10.502 0.292 -0.739 111 HG3 LYS 27 2HG LYS 27 -10.826 -0.986 -1.914 112 HD2 LYS 27 1HD LYS 27 -8.303 -0.417 -2.550 113 HD3 LYS 27 2HD LYS 27 -8.280 0.010 -0.848 114 HE2 LYS 27 1HE LYS 27 -9.185 -2.619 -1.966 115 HE3 LYS 27 2HE LYS 27 -7.618 -2.311 -1.217 116 HZ1 LYS 27 3HZ LYS 27 -8.948 -3.239 0.443 117 HZ2 LYS 27 1HZ LYS 27 -10.282 -2.270 0.055 118 HZ3 LYS 27 2HZ LYS 27 -8.925 -1.581 0.789 119 H ASP 28 H ASP 28 -8.398 2.056 -4.785 120 HA ASP 28 HA ASP 28 -9.648 4.371 -6.005 121 HB2 ASP 28 1HB ASP 28 -7.225 3.822 -6.336 122 HB3 ASP 28 2HB ASP 28 -7.706 2.346 -7.160 123 H ALA 29 H ALA 29 -10.258 3.743 -8.521 124 HA ALA 29 HA ALA 29 -12.657 2.302 -8.377 125 HB1 ALA 29 3HB ALA 29 -11.004 2.913 -10.823 126 HB2 ALA 29 1HB ALA 29 -12.170 4.003 -10.078 127 HB3 ALA 29 2HB ALA 29 -12.715 2.491 -10.799 128 H GLN 30 H GLN 30 -9.429 1.228 -8.770 129 HA GLN 30 HA GLN 30 -10.163 -1.315 -9.953 130 HB2 GLN 30 1HB GLN 30 -7.944 0.417 -9.894 131 HB3 GLN 30 2HB GLN 30 -7.442 -1.146 -9.305 132 HG2 GLN 30 1HG GLN 30 -9.092 -1.112 -11.749 133 HG3 GLN 30 2HG GLN 30 -7.453 -0.501 -11.884 134 HE21 GLN 30 2HE2 GLN 30 -5.719 -1.896 -11.560 135 HE22 GLN 30 1HE2 GLN 30 -5.912 -3.616 -11.610 136 H ASN 31 H ASN 31 -10.305 -0.103 -6.998 137 HA ASN 31 HA ASN 31 -10.527 -0.996 -4.909 138 HB2 ASN 31 1HB ASN 31 -11.655 -2.864 -6.015 139 HB3 ASN 31 2HB ASN 31 -10.108 -3.637 -6.305 140 HD21 ASN 31 2HD2 ASN 31 -10.544 -5.464 -5.182 141 HD22 ASN 31 1HD2 ASN 31 -10.683 -5.513 -3.459 142 H LEU 32 H LEU 32 -7.991 -0.159 -5.975 143 HA LEU 32 HA LEU 32 -6.322 -1.491 -3.981 144 HB2 LEU 32 1HB LEU 32 -4.391 -1.207 -5.636 145 HB3 LEU 32 2HB LEU 32 -5.521 -2.505 -5.906 146 HG LEU 32 HG LEU 32 -6.691 -1.071 -7.595 147 HD11 LEU 32 1HD1 LEU 32 -5.482 0.808 -8.559 148 HD12 LEU 32 2HD1 LEU 32 -4.246 0.660 -7.310 149 HD13 LEU 32 3HD1 LEU 32 -5.893 1.110 -6.872 150 HD21 LEU 32 3HD2 LEU 32 -3.800 -1.710 -8.126 151 HD22 LEU 32 1HD2 LEU 32 -5.050 -1.469 -9.347 152 HD23 LEU 32 2HD2 LEU 32 -5.151 -2.840 -8.242 153 H ILE 33 H ILE 33 -3.997 -0.058 -4.274 154 HA ILE 33 HA ILE 33 -4.986 2.568 -3.465 155 HB ILE 33 HB ILE 33 -2.256 2.294 -2.798 156 HG12 ILE 33 1HG1 ILE 33 -3.901 -0.026 -1.766 157 HG13 ILE 33 2HG1 ILE 33 -2.730 -0.198 -3.084 158 HG21 ILE 33 1HG2 ILE 33 -3.720 3.668 -1.557 159 HG22 ILE 33 2HG2 ILE 33 -3.304 2.340 -0.471 160 HG23 ILE 33 3HG2 ILE 33 -4.867 2.351 -1.301 161 HD11 ILE 33 3HD1 ILE 33 -0.984 0.648 -1.507 162 HD12 ILE 33 1HD1 ILE 33 -1.705 -0.889 -1.039 163 HD13 ILE 33 2HD1 ILE 33 -2.188 0.593 -0.219 164 H GLY 34 H GLY 34 -2.919 0.964 -5.773 165 HA2 GLY 34 1HA GLY 34 -2.518 2.043 -7.881 166 HA3 GLY 34 2HA GLY 34 -2.564 3.602 -7.065 167 H ILE 35 H ILE 35 -0.736 0.879 -5.816 168 HA ILE 35 HA ILE 35 1.747 2.333 -6.537 169 HB ILE 35 HB ILE 35 2.750 1.286 -4.492 170 HG12 ILE 35 1HG1 ILE 35 0.804 0.839 -2.729 171 HG13 ILE 35 2HG1 ILE 35 -0.064 0.389 -4.188 172 HG21 ILE 35 1HG2 ILE 35 0.479 3.220 -4.116 173 HG22 ILE 35 2HG2 ILE 35 2.161 3.609 -4.477 174 HG23 ILE 35 3HG2 ILE 35 1.734 2.900 -2.920 175 HD11 ILE 35 3HD1 ILE 35 2.507 -0.829 -3.246 176 HD12 ILE 35 1HD1 ILE 35 1.618 -1.273 -4.704 177 HD13 ILE 35 2HD1 ILE 35 0.898 -1.540 -3.118 178 H SER 36 H SER 36 3.683 0.906 -6.382 179 HA SER 36 HA SER 36 3.169 -1.866 -7.111 180 HB2 SER 36 1HB SER 36 4.823 0.058 -8.737 181 HB3 SER 36 2HB SER 36 4.914 -1.696 -8.915 182 HG SER 36 HG SER 36 2.442 -1.334 -8.989 183 H ILE 37 H ILE 37 4.403 -3.207 -6.144 184 HA ILE 37 HA ILE 37 6.547 -2.130 -4.456 185 HB ILE 37 HB ILE 37 5.177 -4.812 -4.274 186 HG12 ILE 37 1HG1 ILE 37 3.627 -3.006 -3.755 187 HG13 ILE 37 2HG1 ILE 37 4.069 -3.858 -2.280 188 HG21 ILE 37 1HG2 ILE 37 7.138 -3.444 -2.438 189 HG22 ILE 37 2HG2 ILE 37 7.404 -4.923 -3.361 190 HG23 ILE 37 3HG2 ILE 37 6.242 -4.907 -2.035 191 HD11 ILE 37 3HD1 ILE 37 5.664 -2.071 -1.751 192 HD12 ILE 37 1HD1 ILE 37 4.010 -1.480 -1.898 193 HD13 ILE 37 2HD1 ILE 37 5.160 -1.213 -3.207 194 H GLY 38 H GLY 38 8.561 -2.606 -4.730 195 HA2 GLY 38 1HA GLY 38 9.340 -4.340 -6.950 196 HA3 GLY 38 2HA GLY 38 10.372 -3.171 -6.132 197 H GLY 39 H GLY 39 10.230 -6.253 -6.686 198 HA2 GLY 39 1HA GLY 39 10.171 -7.475 -4.137 199 HA3 GLY 39 2HA GLY 39 10.786 -8.190 -5.618 200 H GLY 40 H GLY 40 11.646 -7.499 -2.555 201 HA2 GLY 40 1HA GLY 40 14.248 -6.405 -3.039 202 HA3 GLY 40 2HA GLY 40 13.651 -7.068 -1.531 203 H ALA 41 H ALA 41 13.097 -9.559 -3.565 204 HA ALA 41 HA ALA 41 15.829 -10.557 -3.527 205 HB1 ALA 41 3HB ALA 41 15.378 -12.428 -2.076 206 HB2 ALA 41 1HB ALA 41 13.701 -11.921 -1.886 207 HB3 ALA 41 2HB ALA 41 15.003 -10.930 -1.231 208 H GLN 42 H GLN 42 15.529 -13.167 -3.948 209 HA GLN 42 HA GLN 42 14.002 -13.317 -6.426 210 HB2 GLN 42 1HB GLN 42 15.921 -15.246 -5.112 211 HB3 GLN 42 2HB GLN 42 15.090 -15.568 -6.627 212 HG2 GLN 42 1HG GLN 42 16.204 -13.693 -7.673 213 HG3 GLN 42 2HG GLN 42 16.984 -13.280 -6.146 214 HE21 GLN 42 2HE2 GLN 42 18.126 -14.005 -8.749 215 HE22 GLN 42 1HE2 GLN 42 19.153 -15.363 -8.446 216 H TYR 43 H TYR 43 14.276 -15.055 -3.349 217 HA TYR 43 HA TYR 43 11.943 -16.654 -3.878 218 HB2 TYR 43 1HB TYR 43 13.698 -16.342 -1.446 219 HB3 TYR 43 2HB TYR 43 12.305 -17.411 -1.490 220 HD1 TYR 43 HD2 TYR 43 12.286 -19.280 -3.209 221 HD2 TYR 43 HD1 TYR 43 15.783 -17.051 -2.269 222 HE1 TYR 43 HE2 TYR 43 13.677 -21.068 -4.160 223 HE2 TYR 43 HE1 TYR 43 17.183 -18.833 -3.218 224 HH TYR 43 HH TYR 43 17.080 -21.180 -3.722 225 H CYS 44 H CYS 44 12.745 -13.904 -1.801 226 HA CYS 44 HA CYS 44 9.867 -13.600 -1.237 227 HB2 CYS 44 1HB CYS 44 12.193 -12.824 0.535 228 HB3 CYS 44 2HB CYS 44 10.489 -12.602 0.915 229 HG CYS 44 HG CYS 44 11.088 -14.712 2.466 230 HA PRO 45 HA PRO 45 11.518 -9.787 -3.340 231 HB2 PRO 45 1HB PRO 45 9.507 -10.234 -5.399 232 HB3 PRO 45 2HB PRO 45 11.261 -10.101 -5.561 233 HG2 PRO 45 1HG PRO 45 10.007 -12.413 -5.946 234 HG3 PRO 45 2HG PRO 45 11.601 -12.352 -5.201 235 HD2 PRO 45 1HD PRO 45 8.912 -12.556 -3.856 236 HD3 PRO 45 2HD PRO 45 10.365 -13.555 -3.600 237 H CYS 46 H CYS 46 10.408 -8.983 -1.383 238 HA CYS 46 HA CYS 46 8.423 -7.094 -2.373 239 HB2 CYS 46 1HB CYS 46 8.096 -8.568 0.262 240 HB3 CYS 46 2HB CYS 46 7.055 -7.283 -0.337 241 HG CYS 46 HG CYS 46 7.036 -9.469 -2.683 242 H LEU 47 H LEU 47 9.247 -5.117 -1.921 243 HA LEU 47 HA LEU 47 10.136 -4.411 0.709 244 HB2 LEU 47 1HB LEU 47 12.060 -4.351 -1.616 245 HB3 LEU 47 2HB LEU 47 12.268 -3.342 -0.198 246 HG LEU 47 HG LEU 47 12.244 -6.319 -0.281 247 HD11 LEU 47 1HD1 LEU 47 14.285 -5.304 -1.211 248 HD12 LEU 47 2HD1 LEU 47 14.603 -6.145 0.304 249 HD13 LEU 47 3HD1 LEU 47 14.493 -4.383 0.281 250 HD21 LEU 47 3HD2 LEU 47 11.273 -5.564 1.745 251 HD22 LEU 47 1HD2 LEU 47 12.553 -4.376 1.977 252 HD23 LEU 47 2HD2 LEU 47 12.918 -6.100 2.101 253 H TYR 48 H TYR 48 11.336 -2.976 -2.083 254 HA TYR 48 HA TYR 48 10.681 -0.352 -1.416 255 HB2 TYR 48 1HB TYR 48 11.162 -1.209 -4.258 256 HB3 TYR 48 2HB TYR 48 11.661 0.275 -3.464 257 HD1 TYR 48 HD1 TYR 48 13.668 0.318 -2.060 258 HD2 TYR 48 HD2 TYR 48 12.451 -3.239 -4.051 259 HE1 TYR 48 HE1 TYR 48 15.893 -0.657 -1.674 260 HE2 TYR 48 HE2 TYR 48 14.668 -4.223 -3.666 261 HH TYR 48 HH TYR 48 16.975 -2.808 -1.555 262 H ILE 49 H ILE 49 9.109 1.099 -2.107 263 HA ILE 49 HA ILE 49 7.063 0.044 -3.918 264 HB ILE 49 HB ILE 49 6.303 1.232 -1.850 265 HG12 ILE 49 1HG1 ILE 49 5.061 1.197 -4.152 266 HG13 ILE 49 2HG1 ILE 49 4.466 2.218 -2.845 267 HG21 ILE 49 1HG2 ILE 49 6.451 3.660 -1.726 268 HG22 ILE 49 2HG2 ILE 49 7.455 3.667 -3.179 269 HG23 ILE 49 3HG2 ILE 49 8.048 2.908 -1.697 270 HD11 ILE 49 3HD1 ILE 49 6.081 3.070 -5.235 271 HD12 ILE 49 1HD1 ILE 49 5.697 4.122 -3.870 272 HD13 ILE 49 2HD1 ILE 49 4.399 3.466 -4.875 273 H VAL 50 H VAL 50 7.610 0.182 -5.968 274 HA VAL 50 HA VAL 50 9.852 1.822 -6.721 275 HB VAL 50 HB VAL 50 8.216 -0.108 -8.373 276 HG11 VAL 50 1HG1 VAL 50 10.094 -0.064 -9.943 277 HG12 VAL 50 2HG1 VAL 50 10.881 1.177 -8.969 278 HG13 VAL 50 3HG1 VAL 50 9.356 1.530 -9.782 279 HG21 VAL 50 3HG2 VAL 50 10.109 -1.626 -8.042 280 HG22 VAL 50 1HG2 VAL 50 9.357 -1.182 -6.511 281 HG23 VAL 50 2HG2 VAL 50 10.879 -0.434 -6.995 282 H GLN 51 H GLN 51 6.391 2.010 -7.096 283 HA GLN 51 HA GLN 51 6.603 4.502 -8.460 284 HB2 GLN 51 1HB GLN 51 6.125 3.981 -10.614 285 HB3 GLN 51 2HB GLN 51 6.811 2.418 -10.194 286 HG2 GLN 51 1HG GLN 51 4.532 1.621 -9.661 287 HG3 GLN 51 2HG GLN 51 3.900 3.158 -10.226 288 HE21 GLN 51 2HE2 GLN 51 3.448 0.441 -11.190 289 HE22 GLN 51 1HE2 GLN 51 3.870 0.473 -12.864 290 H VAL 52 H VAL 52 4.653 5.543 -8.642 291 HA VAL 52 HA VAL 52 2.257 4.220 -7.651 292 HB VAL 52 HB VAL 52 3.409 5.338 -5.719 293 HG11 VAL 52 1HG1 VAL 52 3.236 7.819 -5.597 294 HG12 VAL 52 2HG1 VAL 52 2.832 7.820 -7.315 295 HG13 VAL 52 3HG1 VAL 52 4.405 7.223 -6.778 296 HG21 VAL 52 3HG2 VAL 52 1.054 4.911 -5.597 297 HG22 VAL 52 1HG2 VAL 52 0.700 6.374 -6.513 298 HG23 VAL 52 2HG2 VAL 52 1.387 6.494 -4.893 299 H PHE 53 H PHE 53 0.327 5.580 -8.166 300 HA PHE 53 HA PHE 53 0.851 7.243 -10.505 301 HB2 PHE 53 1HB PHE 53 -1.534 5.499 -9.896 302 HB3 PHE 53 2HB PHE 53 -1.462 6.629 -11.240 303 HD1 PHE 53 HD2 PHE 53 0.048 6.220 -13.117 304 HD2 PHE 53 HD1 PHE 53 -0.357 3.419 -9.940 305 HE1 PHE 53 HE2 PHE 53 1.127 4.499 -14.502 306 HE2 PHE 53 HE1 PHE 53 0.725 1.691 -11.321 307 HZ PHE 53 HZ PHE 53 1.466 2.232 -13.605 308 H ASP 54 H ASP 54 0.188 9.173 -10.483 309 HA ASP 54 HA ASP 54 0.111 10.565 -8.121 310 HB2 ASP 54 1HB ASP 54 0.910 11.545 -10.167 311 HB3 ASP 54 2HB ASP 54 -0.689 11.450 -10.891 312 H ASN 55 H ASN 55 -2.619 9.337 -9.841 313 HA ASN 55 HA ASN 55 -4.435 11.131 -8.431 314 HB2 ASN 55 1HB ASN 55 -4.801 9.529 -10.956 315 HB3 ASN 55 2HB ASN 55 -6.144 10.288 -10.106 316 HD21 ASN 55 2HD2 ASN 55 -3.342 10.791 -12.056 317 HD22 ASN 55 1HD2 ASN 55 -3.601 12.473 -12.359 318 H THR 56 H THR 56 -3.062 8.387 -7.777 319 HA THR 56 HA THR 56 -5.482 6.867 -7.120 320 HB THR 56 HB THR 56 -4.026 5.020 -6.601 321 HG1 THR 56 HG1 THR 56 -1.787 6.719 -7.095 322 HG21 THR 56 3HG2 THR 56 -4.414 5.462 -8.992 323 HG22 THR 56 1HG2 THR 56 -2.847 4.707 -8.696 324 HG23 THR 56 2HG2 THR 56 -2.940 6.440 -9.024 325 HA PRO 57 HA PRO 57 -5.770 8.384 -3.031 326 HB2 PRO 57 1HB PRO 57 -5.693 5.942 -1.608 327 HB3 PRO 57 2HB PRO 57 -7.136 6.765 -2.193 328 HG2 PRO 57 1HG PRO 57 -5.618 4.511 -3.416 329 HG3 PRO 57 2HG PRO 57 -7.361 4.820 -3.412 330 HD2 PRO 57 1HD PRO 57 -5.902 5.269 -5.594 331 HD3 PRO 57 2HD PRO 57 -7.210 6.382 -5.134 332 H ALA 58 H ALA 58 -3.525 5.713 -3.511 333 HA ALA 58 HA ALA 58 -1.794 6.081 -1.373 334 HB1 ALA 58 3HB ALA 58 -1.774 4.140 -2.863 335 HB2 ALA 58 1HB ALA 58 -0.169 4.840 -2.664 336 HB3 ALA 58 2HB ALA 58 -1.085 5.137 -4.141 337 H ALA 59 H ALA 59 -1.319 7.329 -4.723 338 HA ALA 59 HA ALA 59 0.906 8.962 -3.900 339 HB1 ALA 59 3HB ALA 59 0.621 10.005 -6.159 340 HB2 ALA 59 1HB ALA 59 -0.778 8.953 -6.406 341 HB3 ALA 59 2HB ALA 59 0.832 8.257 -6.179 342 H LEU 60 H LEU 60 -2.352 9.628 -4.979 343 HA LEU 60 HA LEU 60 -2.633 12.301 -4.816 344 HB2 LEU 60 1HB LEU 60 -4.198 10.327 -5.377 345 HB3 LEU 60 2HB LEU 60 -4.667 10.403 -3.694 346 HG LEU 60 HG LEU 60 -6.292 11.487 -5.095 347 HD11 LEU 60 1HD1 LEU 60 -4.764 13.488 -3.444 348 HD12 LEU 60 2HD1 LEU 60 -6.001 12.373 -2.862 349 HD13 LEU 60 3HD1 LEU 60 -6.433 13.658 -3.992 350 HD21 LEU 60 3HD2 LEU 60 -4.697 12.104 -6.891 351 HD22 LEU 60 1HD2 LEU 60 -4.137 13.435 -5.881 352 HD23 LEU 60 2HD2 LEU 60 -5.808 13.401 -6.445 353 H ASP 61 H ASP 61 -3.885 10.341 -2.124 354 HA ASP 61 HA ASP 61 -3.515 12.657 -0.377 355 HB2 ASP 61 1HB ASP 61 -5.778 11.639 -0.639 356 HB3 ASP 61 2HB ASP 61 -5.162 10.173 0.108 357 H GLY 62 H GLY 62 -2.427 9.407 -0.841 358 HA2 GLY 62 1HA GLY 62 -1.926 8.814 1.914 359 HA3 GLY 62 2HA GLY 62 -1.430 7.853 0.539 360 H THR 63 H THR 63 0.142 9.867 -0.687 361 HA THR 63 HA THR 63 2.246 10.636 -0.797 362 HB THR 63 HB THR 63 3.283 11.765 1.036 363 HG1 THR 63 HG1 THR 63 1.623 10.112 2.596 364 HG21 THR 63 3HG2 THR 63 0.295 12.003 1.010 365 HG22 THR 63 1HG2 THR 63 1.456 12.936 0.072 366 HG23 THR 63 2HG2 THR 63 1.353 13.164 1.820 367 H VAL 64 H VAL 64 1.525 7.879 -0.271 368 HA VAL 64 HA VAL 64 4.023 6.747 0.765 369 HB VAL 64 HB VAL 64 2.933 4.547 0.354 370 HG11 VAL 64 1HG1 VAL 64 1.205 6.433 1.943 371 HG12 VAL 64 2HG1 VAL 64 2.715 5.718 2.518 372 HG13 VAL 64 3HG1 VAL 64 1.336 4.681 2.145 373 HG21 VAL 64 3HG2 VAL 64 0.524 6.199 -0.379 374 HG22 VAL 64 1HG2 VAL 64 0.605 4.439 -0.284 375 HG23 VAL 64 2HG2 VAL 64 1.522 5.304 -1.522 376 H ALA 65 H ALA 65 4.623 8.206 -1.315 377 HA ALA 65 HA ALA 65 4.163 6.854 -3.820 378 HB1 ALA 65 3HB ALA 65 5.683 9.391 -3.259 379 HB2 ALA 65 1HB ALA 65 3.968 9.288 -3.656 380 HB3 ALA 65 2HB ALA 65 5.178 8.798 -4.841 381 H ALA 66 H ALA 66 6.237 7.166 -5.350 382 HA ALA 66 HA ALA 66 7.778 4.937 -4.842 383 HB1 ALA 66 3HB ALA 66 7.386 6.028 -7.043 384 HB2 ALA 66 1HB ALA 66 9.063 5.561 -6.756 385 HB3 ALA 66 2HB ALA 66 8.578 7.247 -6.595 386 H GLY 67 H GLY 67 9.654 4.518 -3.838 387 HA2 GLY 67 1HA GLY 67 11.908 5.296 -3.268 388 HA3 GLY 67 2HA GLY 67 11.180 6.822 -2.796 389 H ASP 68 H ASP 68 8.953 4.866 -1.651 390 HA ASP 68 HA ASP 68 10.293 4.613 0.950 391 HB2 ASP 68 1HB ASP 68 7.389 4.732 0.139 392 HB3 ASP 68 2HB ASP 68 7.894 4.274 1.758 393 H GLU 69 H GLU 69 9.267 2.695 2.280 394 HA GLU 69 HA GLU 69 9.112 0.294 0.561 395 HB2 GLU 69 1HB GLU 69 9.995 0.252 3.442 396 HB3 GLU 69 2HB GLU 69 10.224 -0.982 2.214 397 HG2 GLU 69 1HG GLU 69 11.588 1.694 2.203 398 HG3 GLU 69 2HG GLU 69 12.282 0.223 2.873 399 H ILE 70 H ILE 70 7.443 -1.173 1.070 400 HA ILE 70 HA ILE 70 5.479 -0.145 3.014 401 HB ILE 70 HB ILE 70 5.021 -2.121 0.778 402 HG12 ILE 70 1HG1 ILE 70 5.496 0.089 -0.123 403 HG13 ILE 70 2HG1 ILE 70 3.793 -0.299 -0.330 404 HG21 ILE 70 1HG2 ILE 70 3.502 -2.452 2.650 405 HG22 ILE 70 2HG2 ILE 70 2.645 -1.799 1.254 406 HG23 ILE 70 3HG2 ILE 70 3.062 -0.745 2.604 407 HD11 ILE 70 3HD1 ILE 70 3.253 1.090 1.600 408 HD12 ILE 70 1HD1 ILE 70 4.080 1.999 0.334 409 HD13 ILE 70 2HD1 ILE 70 4.960 1.491 1.776 410 H THR 71 H THR 71 5.408 -1.161 4.910 411 HA THR 71 HA THR 71 6.520 -3.882 5.025 412 HB THR 71 HB THR 71 7.957 -2.265 6.138 413 HG1 THR 71 HG1 THR 71 6.554 -4.116 7.765 414 HG21 THR 71 3HG2 THR 71 5.622 -1.679 7.959 415 HG22 THR 71 1HG2 THR 71 6.203 -0.606 6.684 416 HG23 THR 71 2HG2 THR 71 7.242 -0.985 8.056 417 H GLY 72 H GLY 72 3.600 -2.339 5.200 418 HA2 GLY 72 1HA GLY 72 2.458 -4.681 6.421 419 HA3 GLY 72 2HA GLY 72 2.287 -3.245 7.416 420 H VAL 73 H VAL 73 0.359 -4.999 6.122 421 HA VAL 73 HA VAL 73 -1.026 -3.133 4.323 422 HB VAL 73 HB VAL 73 -2.212 -4.995 3.426 423 HG11 VAL 73 1HG1 VAL 73 0.653 -5.767 3.799 424 HG12 VAL 73 2HG1 VAL 73 -0.008 -4.752 2.513 425 HG13 VAL 73 3HG1 VAL 73 -0.443 -6.461 2.604 426 HG21 VAL 73 3HG2 VAL 73 -0.893 -6.784 5.462 427 HG22 VAL 73 1HG2 VAL 73 -2.066 -7.262 4.232 428 HG23 VAL 73 2HG2 VAL 73 -2.561 -6.206 5.557 429 H ASN 74 H ASN 74 -3.055 -2.412 4.959 430 HA ASN 74 HA ASN 74 -5.051 -2.326 6.060 431 HB2 ASN 74 1HB ASN 74 -5.268 -4.501 4.995 432 HB3 ASN 74 2HB ASN 74 -4.422 -5.270 6.320 433 HD21 ASN 74 2HD2 ASN 74 -6.939 -2.819 6.575 434 HD22 ASN 74 1HD2 ASN 74 -8.063 -3.856 7.361 435 H GLY 75 H GLY 75 -2.502 -1.958 7.612 436 HA2 GLY 75 1HA GLY 75 -2.343 -1.087 9.800 437 HA3 GLY 75 2HA GLY 75 -3.762 -2.017 10.249 438 H ARG 76 H ARG 76 -2.239 -4.367 8.814 439 HA ARG 76 HA ARG 76 -0.660 -5.119 11.141 440 HB2 ARG 76 1HB ARG 76 -1.099 -7.424 10.016 441 HB3 ARG 76 2HB ARG 76 -2.349 -6.676 10.980 442 HG2 ARG 76 1HG ARG 76 -3.295 -5.780 8.840 443 HG3 ARG 76 2HG ARG 76 -2.138 -6.801 7.990 444 HD2 ARG 76 1HD ARG 76 -3.128 -8.780 8.799 445 HD3 ARG 76 2HD ARG 76 -4.055 -7.911 10.022 446 HE ARG 76 HE ARG 76 -5.224 -6.876 7.999 447 HH11 ARG 76 1HH1 ARG 76 -3.973 -10.153 8.041 448 HH12 ARG 76 2HH1 ARG 76 -5.115 -10.726 6.873 449 HH21 ARG 76 1HH2 ARG 76 -6.730 -7.641 6.489 450 HH22 ARG 76 2HH2 ARG 76 -6.685 -9.305 5.988 451 H SER 77 H SER 77 1.105 -6.806 10.474 452 HA SER 77 HA SER 77 2.844 -5.521 8.587 453 HB2 SER 77 1HB SER 77 3.615 -6.680 10.681 454 HB3 SER 77 2HB SER 77 3.192 -8.216 9.927 455 HG SER 77 HG SER 77 5.197 -6.364 9.183 456 H ILE 78 H ILE 78 4.063 -7.079 6.991 457 HA ILE 78 HA ILE 78 1.991 -8.460 5.390 458 HB ILE 78 HB ILE 78 3.155 -8.001 3.413 459 HG12 ILE 78 1HG1 ILE 78 5.428 -8.609 4.238 460 HG13 ILE 78 2HG1 ILE 78 5.419 -7.176 3.220 461 HG21 ILE 78 1HG2 ILE 78 3.068 -5.711 3.251 462 HG22 ILE 78 2HG2 ILE 78 3.828 -5.468 4.823 463 HG23 ILE 78 3HG2 ILE 78 2.153 -5.996 4.733 464 HD11 ILE 78 3HD1 ILE 78 5.619 -7.231 6.223 465 HD12 ILE 78 1HD1 ILE 78 5.556 -5.774 5.232 466 HD13 ILE 78 2HD1 ILE 78 6.921 -6.882 5.084 467 H LYS 79 H LYS 79 4.621 -8.855 7.353 468 HA LYS 79 HA LYS 79 6.255 -10.687 5.983 469 HB2 LYS 79 1HB LYS 79 6.639 -9.149 8.065 470 HB3 LYS 79 2HB LYS 79 6.079 -10.533 8.972 471 HG2 LYS 79 1HG LYS 79 8.397 -10.603 7.052 472 HG3 LYS 79 2HG LYS 79 8.564 -10.299 8.778 473 HD2 LYS 79 1HD LYS 79 7.350 -12.791 7.594 474 HD3 LYS 79 2HD LYS 79 9.033 -12.647 8.098 475 HE2 LYS 79 1HE LYS 79 8.336 -12.208 10.381 476 HE3 LYS 79 2HE LYS 79 6.643 -12.254 9.895 477 HZ1 LYS 79 3HZ LYS 79 7.389 -14.331 10.918 478 HZ2 LYS 79 1HZ LYS 79 8.531 -14.538 9.686 479 HZ3 LYS 79 2HZ LYS 79 6.878 -14.566 9.324 480 H GLY 80 H GLY 80 3.273 -11.067 7.618 481 HA2 GLY 80 1HA GLY 80 3.554 -13.783 8.405 482 HA3 GLY 80 2HA GLY 80 2.044 -12.905 8.226 483 H LYS 81 H LYS 81 2.984 -12.284 5.327 484 HA LYS 81 HA LYS 81 2.643 -14.946 4.190 485 HB2 LYS 81 1HB LYS 81 0.750 -14.333 2.807 486 HB3 LYS 81 2HB LYS 81 0.350 -14.123 4.499 487 HG2 LYS 81 1HG LYS 81 1.187 -11.863 2.712 488 HG3 LYS 81 2HG LYS 81 -0.488 -12.349 2.946 489 HD2 LYS 81 1HD LYS 81 1.270 -11.680 5.275 490 HD3 LYS 81 2HD LYS 81 0.470 -10.418 4.347 491 HE2 LYS 81 1HE LYS 81 -0.943 -10.895 6.187 492 HE3 LYS 81 2HE LYS 81 -1.695 -11.635 4.780 493 HZ1 LYS 81 3HZ LYS 81 -0.008 -13.115 6.724 494 HZ2 LYS 81 1HZ LYS 81 -0.932 -13.774 5.470 495 HZ3 LYS 81 2HZ LYS 81 -1.693 -13.051 6.792 496 H THR 82 H THR 82 1.850 -13.349 1.630 497 HA THR 82 HA THR 82 4.555 -12.534 0.918 498 HB THR 82 HB THR 82 4.436 -15.007 0.600 499 HG1 THR 82 HG1 THR 82 5.439 -14.935 -1.387 500 HG21 THR 82 3HG2 THR 82 2.100 -15.241 0.007 501 HG22 THR 82 1HG2 THR 82 3.109 -15.874 -1.294 502 HG23 THR 82 2HG2 THR 82 2.349 -14.291 -1.457 503 H LYS 83 H LYS 83 4.558 -12.029 -1.508 504 HA LYS 83 HA LYS 83 3.312 -9.694 -1.957 505 HB2 LYS 83 1HB LYS 83 3.523 -10.740 -4.517 506 HB3 LYS 83 2HB LYS 83 4.802 -9.932 -3.620 507 HG2 LYS 83 1HG LYS 83 5.768 -11.909 -2.947 508 HG3 LYS 83 2HG LYS 83 4.313 -12.847 -3.274 509 HD2 LYS 83 1HD LYS 83 4.656 -12.411 -5.697 510 HD3 LYS 83 2HD LYS 83 6.182 -11.612 -5.291 511 HE2 LYS 83 1HE LYS 83 7.086 -13.583 -4.388 512 HE3 LYS 83 2HE LYS 83 5.526 -14.396 -4.409 513 HZ1 LYS 83 3HZ LYS 83 7.069 -13.580 -6.811 514 HZ2 LYS 83 1HZ LYS 83 5.588 -14.405 -6.806 515 HZ3 LYS 83 2HZ LYS 83 6.970 -15.154 -6.188 516 H VAL 84 H VAL 84 2.093 -12.699 -3.533 517 HA VAL 84 HA VAL 84 -0.112 -11.521 -4.689 518 HB VAL 84 HB VAL 84 0.628 -13.651 -5.455 519 HG11 VAL 84 1HG1 VAL 84 0.028 -14.684 -2.693 520 HG12 VAL 84 2HG1 VAL 84 1.620 -14.506 -3.430 521 HG13 VAL 84 3HG1 VAL 84 0.477 -15.683 -4.073 522 HG21 VAL 84 3HG2 VAL 84 -1.412 -14.967 -5.404 523 HG22 VAL 84 1HG2 VAL 84 -1.747 -13.255 -5.654 524 HG23 VAL 84 2HG2 VAL 84 -2.007 -13.980 -4.071 525 H GLU 85 H GLU 85 0.299 -12.873 -1.482 526 HA GLU 85 HA GLU 85 -2.494 -12.744 -0.863 527 HB2 GLU 85 1HB GLU 85 -0.112 -13.229 0.921 528 HB3 GLU 85 2HB GLU 85 -1.794 -13.466 1.370 529 HG2 GLU 85 1HG GLU 85 -1.929 -15.109 -0.545 530 HG3 GLU 85 2HG GLU 85 -0.176 -15.000 -0.634 531 H VAL 86 H VAL 86 0.325 -10.703 -0.297 532 HA VAL 86 HA VAL 86 -0.934 -9.088 1.679 533 HB VAL 86 HB VAL 86 0.872 -7.469 1.331 534 HG11 VAL 86 1HG1 VAL 86 2.770 -8.994 1.872 535 HG12 VAL 86 2HG1 VAL 86 1.707 -10.349 1.506 536 HG13 VAL 86 3HG1 VAL 86 1.321 -9.262 2.842 537 HG21 VAL 86 3HG2 VAL 86 1.211 -7.624 -1.044 538 HG22 VAL 86 1HG2 VAL 86 1.755 -9.294 -0.874 539 HG23 VAL 86 2HG2 VAL 86 2.716 -7.980 -0.191 540 H ALA 87 H ALA 87 -0.412 -8.590 -1.814 541 HA ALA 87 HA ALA 87 -1.904 -6.206 -2.054 542 HB1 ALA 87 3HB ALA 87 -0.520 -7.016 -3.870 543 HB2 ALA 87 1HB ALA 87 -2.185 -6.804 -4.409 544 HB3 ALA 87 2HB ALA 87 -1.565 -8.424 -4.072 545 H LYS 88 H LYS 88 -2.853 -9.607 -2.054 546 HA LYS 88 HA LYS 88 -5.581 -9.277 -2.599 547 HB2 LYS 88 1HB LYS 88 -4.511 -11.470 -2.595 548 HB3 LYS 88 2HB LYS 88 -4.253 -11.355 -0.861 549 HG2 LYS 88 1HG LYS 88 -6.544 -11.497 -0.417 550 HG3 LYS 88 2HG LYS 88 -6.979 -11.222 -2.104 551 HD2 LYS 88 1HD LYS 88 -5.821 -13.348 -2.666 552 HD3 LYS 88 2HD LYS 88 -5.613 -13.644 -0.940 553 HE2 LYS 88 1HE LYS 88 -8.267 -13.261 -2.319 554 HE3 LYS 88 2HE LYS 88 -7.562 -14.824 -1.919 555 HZ1 LYS 88 3HZ LYS 88 -9.164 -14.164 -0.260 556 HZ2 LYS 88 1HZ LYS 88 -8.341 -12.714 0.031 557 HZ3 LYS 88 2HZ LYS 88 -7.622 -14.192 0.422 558 H MET 89 H MET 89 -3.894 -9.524 0.523 559 HA MET 89 HA MET 89 -5.945 -9.145 2.277 560 HB2 MET 89 1HB MET 89 -3.098 -8.309 2.328 561 HB3 MET 89 2HB MET 89 -4.159 -7.992 3.694 562 HG2 MET 89 1HG MET 89 -3.673 -10.688 2.464 563 HG3 MET 89 2HG MET 89 -2.893 -10.067 3.895 564 HE1 MET 89 3HE MET 89 -4.480 -12.852 3.726 565 HE2 MET 89 1HE MET 89 -5.334 -12.827 5.268 566 HE3 MET 89 2HE MET 89 -3.657 -12.294 5.183 567 H ILE 90 H ILE 90 -4.143 -6.707 0.509 568 HA ILE 90 HA ILE 90 -5.366 -4.470 1.701 569 HB ILE 90 HB ILE 90 -3.791 -4.884 -0.820 570 HG12 ILE 90 1HG1 ILE 90 -3.332 -3.190 1.641 571 HG13 ILE 90 2HG1 ILE 90 -2.761 -4.843 1.456 572 HG21 ILE 90 1HG2 ILE 90 -4.845 -2.186 0.022 573 HG22 ILE 90 2HG2 ILE 90 -5.558 -3.147 -1.271 574 HG23 ILE 90 3HG2 ILE 90 -3.892 -2.581 -1.416 575 HD11 ILE 90 3HD1 ILE 90 -1.977 -2.559 -0.320 576 HD12 ILE 90 1HD1 ILE 90 -1.320 -4.193 -0.341 577 HD13 ILE 90 2HD1 ILE 90 -1.034 -3.143 1.048 578 H GLN 91 H GLN 91 -6.080 -6.129 -1.411 579 HA GLN 91 HA GLN 91 -8.288 -4.346 -1.867 580 HB2 GLN 91 1HB GLN 91 -8.560 -5.510 -3.932 581 HB3 GLN 91 2HB GLN 91 -6.851 -5.239 -3.678 582 HG2 GLN 91 1HG GLN 91 -6.700 -7.556 -2.818 583 HG3 GLN 91 2HG GLN 91 -8.370 -7.801 -3.309 584 HE21 GLN 91 2HE2 GLN 91 -8.000 -6.075 -5.679 585 HE22 GLN 91 1HE2 GLN 91 -7.124 -7.040 -6.812 586 H GLU 92 H GLU 92 -7.875 -7.337 -0.271 587 HA GLU 92 HA GLU 92 -10.362 -8.568 -0.666 588 HB2 GLU 92 1HB GLU 92 -8.512 -9.767 0.304 589 HB3 GLU 92 2HB GLU 92 -8.442 -8.655 1.661 590 HG2 GLU 92 1HG GLU 92 -10.559 -9.440 2.475 591 HG3 GLU 92 2HG GLU 92 -10.755 -10.465 1.061 592 H VAL 93 H VAL 93 -9.246 -6.554 2.019 593 HA VAL 93 HA VAL 93 -11.640 -6.371 3.407 594 HB VAL 93 HB VAL 93 -10.782 -4.424 4.516 595 HG11 VAL 93 1HG1 VAL 93 -9.715 -6.501 5.116 596 HG12 VAL 93 2HG1 VAL 93 -8.531 -5.195 5.159 597 HG13 VAL 93 3HG1 VAL 93 -8.554 -6.321 3.800 598 HG21 VAL 93 3HG2 VAL 93 -8.816 -3.198 3.759 599 HG22 VAL 93 1HG2 VAL 93 -10.094 -3.136 2.544 600 HG23 VAL 93 2HG2 VAL 93 -8.718 -4.217 2.324 601 H LYS 94 H LYS 94 -10.659 -4.854 0.488 602 HA LYS 94 HA LYS 94 -11.421 -3.227 -0.863 603 HB2 LYS 94 1HB LYS 94 -13.730 -3.411 -1.558 604 HB3 LYS 94 2HB LYS 94 -13.020 -5.000 -1.339 605 HG2 LYS 94 1HG LYS 94 -14.181 -5.227 0.795 606 HG3 LYS 94 2HG LYS 94 -14.881 -3.621 0.584 607 HD2 LYS 94 1HD LYS 94 -16.057 -4.355 -1.397 608 HD3 LYS 94 2HD LYS 94 -15.285 -5.938 -1.304 609 HE2 LYS 94 1HE LYS 94 -17.099 -4.779 0.807 610 HE3 LYS 94 2HE LYS 94 -17.610 -5.913 -0.439 611 HZ1 LYS 94 3HZ LYS 94 -15.992 -7.509 0.448 612 HZ2 LYS 94 1HZ LYS 94 -17.154 -7.074 1.595 613 HZ3 LYS 94 2HZ LYS 94 -15.600 -6.423 1.685 614 H GLY 95 H GLY 95 -12.455 -1.205 -1.182 615 HA2 GLY 95 1HA GLY 95 -13.766 0.630 -0.553 616 HA3 GLY 95 2HA GLY 95 -13.988 -0.095 1.030 617 H GLU 96 H GLU 96 -11.398 -0.435 1.894 618 HA GLU 96 HA GLU 96 -10.363 2.288 1.943 619 HB2 GLU 96 1HB GLU 96 -10.231 2.309 4.327 620 HB3 GLU 96 2HB GLU 96 -11.882 1.864 3.900 621 HG2 GLU 96 1HG GLU 96 -11.458 -0.418 4.342 622 HG3 GLU 96 2HG GLU 96 -9.744 -0.136 4.536 623 H VAL 97 H VAL 97 -8.314 2.223 3.363 624 HA VAL 97 HA VAL 97 -6.778 -0.231 3.196 625 HB VAL 97 HB VAL 97 -4.924 0.624 1.946 626 HG11 VAL 97 1HG1 VAL 97 -5.802 0.919 -0.260 627 HG12 VAL 97 2HG1 VAL 97 -7.364 1.428 0.384 628 HG13 VAL 97 3HG1 VAL 97 -6.818 -0.239 0.601 629 HG21 VAL 97 3HG2 VAL 97 -4.897 2.874 0.962 630 HG22 VAL 97 1HG2 VAL 97 -4.925 2.903 2.726 631 HG23 VAL 97 2HG2 VAL 97 -6.397 3.242 1.816 632 H THR 98 H THR 98 -4.932 -0.180 4.554 633 HA THR 98 HA THR 98 -4.330 2.333 5.908 634 HB THR 98 HB THR 98 -4.675 -0.272 7.415 635 HG1 THR 98 HG1 THR 98 -6.435 1.775 6.773 636 HG21 THR 98 3HG2 THR 98 -2.991 1.243 8.361 637 HG22 THR 98 1HG2 THR 98 -4.411 1.126 9.402 638 HG23 THR 98 2HG2 THR 98 -4.179 2.547 8.382 639 H ILE 99 H ILE 99 -2.342 2.638 5.114 640 HA ILE 99 HA ILE 99 -0.637 0.336 4.583 641 HB ILE 99 HB ILE 99 0.896 2.347 3.729 642 HG12 ILE 99 1HG1 ILE 99 -0.958 3.991 4.478 643 HG13 ILE 99 2HG1 ILE 99 -0.238 4.204 2.890 644 HG21 ILE 99 1HG2 ILE 99 -1.393 1.149 2.191 645 HG22 ILE 99 2HG2 ILE 99 0.228 0.478 2.378 646 HG23 ILE 99 3HG2 ILE 99 -0.007 1.983 1.484 647 HD11 ILE 99 3HD1 ILE 99 -2.143 3.270 1.820 648 HD12 ILE 99 1HD1 ILE 99 -2.689 4.492 2.968 649 HD13 ILE 99 2HD1 ILE 99 -2.833 2.782 3.366 650 H HIS 100 H HIS 100 1.179 -0.135 5.609 651 HA HIS 100 HA HIS 100 2.247 1.819 7.542 652 HB2 HIS 100 1HB HIS 100 2.116 -1.184 7.603 653 HB3 HIS 100 2HB HIS 100 3.400 -0.352 8.467 654 HD1 HIS 100 HD1 HIS 100 2.552 -1.008 10.780 655 HD2 HIS 100 HD2 HIS 100 -0.262 1.046 8.512 656 HE1 HIS 100 HE1 HIS 100 0.704 -0.415 12.374 657 HE2 HIS 100 HE2 HIS 100 -0.901 0.976 11.019 658 H TYR 101 H TYR 101 4.112 2.715 6.868 659 HA TYR 101 HA TYR 101 5.754 1.128 5.025 660 HB2 TYR 101 1HB TYR 101 6.289 3.194 3.767 661 HB3 TYR 101 2HB TYR 101 4.598 2.734 3.666 662 HD1 TYR 101 HD1 TYR 101 6.971 5.194 5.006 663 HD2 TYR 101 HD2 TYR 101 2.872 4.134 4.597 664 HE1 TYR 101 HE1 TYR 101 6.322 7.472 5.663 665 HE2 TYR 101 HE2 TYR 101 2.212 6.408 5.258 666 HH TYR 101 HH TYR 101 4.518 8.976 5.529 667 H ASN 102 H ASN 102 7.955 1.641 4.915 668 HA ASN 102 HA ASN 102 9.121 3.120 7.130 669 HB2 ASN 102 1HB ASN 102 10.694 1.224 7.483 670 HB3 ASN 102 2HB ASN 102 9.055 0.838 7.966 671 HD21 ASN 102 2HD2 ASN 102 11.317 -0.892 7.207 672 HD22 ASN 102 1HD2 ASN 102 10.759 -1.856 5.885 673 H LYS 103 H LYS 103 11.675 3.044 6.690 674 HA LYS 103 HA LYS 103 12.105 3.239 3.801 675 HB2 LYS 103 1HB LYS 103 12.897 5.213 5.933 676 HB3 LYS 103 2HB LYS 103 13.471 5.279 4.264 677 HG2 LYS 103 1HG LYS 103 11.649 6.374 3.684 678 HG3 LYS 103 2HG LYS 103 10.653 5.021 4.202 679 HD2 LYS 103 1HD LYS 103 10.766 5.939 6.521 680 HD3 LYS 103 2HD LYS 103 11.565 7.363 5.859 681 HE2 LYS 103 1HE LYS 103 9.530 7.485 4.277 682 HE3 LYS 103 2HE LYS 103 8.766 6.392 5.425 683 HZ1 LYS 103 3HZ LYS 103 9.908 9.044 6.113 684 HZ2 LYS 103 1HZ LYS 103 9.105 7.999 7.170 685 HZ3 LYS 103 2HZ LYS 103 8.266 8.717 5.895 686 H LEU 104 H LEU 104 13.075 1.109 4.110 687 HA LEU 104 HA LEU 104 15.832 1.348 3.797 688 HB2 LEU 104 1HB LEU 104 16.454 -0.328 5.660 689 HB3 LEU 104 2HB LEU 104 16.327 1.377 6.042 690 HG LEU 104 HG LEU 104 14.057 0.926 6.979 691 HD11 LEU 104 1HD1 LEU 104 13.435 -1.356 7.509 692 HD12 LEU 104 2HD1 LEU 104 14.858 -1.960 6.658 693 HD13 LEU 104 3HD1 LEU 104 13.575 -1.149 5.760 694 HD21 LEU 104 3HD2 LEU 104 16.003 1.114 8.410 695 HD22 LEU 104 1HD2 LEU 104 16.374 -0.592 8.162 696 HD23 LEU 104 2HD2 LEU 104 14.912 -0.127 9.028 697 H GLN 105 H GLN 105 16.851 -0.652 3.173 698 HA GLN 105 HA GLN 105 14.886 -2.583 2.185 699 HB2 GLN 105 1HB GLN 105 16.669 -3.388 0.715 700 HB3 GLN 105 2HB GLN 105 16.477 -1.649 0.544 701 HG2 GLN 105 1HG GLN 105 18.423 -1.266 1.929 702 HG3 GLN 105 2HG GLN 105 18.590 -2.997 2.211 703 HE21 GLN 105 2HE2 GLN 105 20.490 -1.142 1.050 704 HE22 GLN 105 1HE2 GLN 105 20.848 -1.740 -0.534 705 H ALA 106 H ALA 106 16.173 -2.196 4.931 706 HA ALA 106 HA ALA 106 16.589 -3.496 6.731 707 HB1 ALA 106 3HB ALA 106 14.825 -4.931 5.929 708 HB2 ALA 106 1HB ALA 106 16.128 -5.906 6.603 709 HB3 ALA 106 2HB ALA 106 15.949 -5.765 4.856 710 H ASP 107 H ASP 107 18.012 -5.615 7.331 711 HA ASP 107 HA ASP 107 20.521 -5.493 5.779 712 HB2 ASP 107 1HB ASP 107 20.746 -3.885 7.641 713 HB3 ASP 107 2HB ASP 107 20.246 -5.122 8.785 714 HA PRO 108 HA PRO 108 20.476 -9.866 5.594 715 HB2 PRO 108 1HB PRO 108 22.846 -9.652 7.430 716 HB3 PRO 108 2HB PRO 108 22.585 -10.762 6.082 717 HG2 PRO 108 1HG PRO 108 24.005 -8.516 5.759 718 HG3 PRO 108 2HG PRO 108 22.937 -9.122 4.483 719 HD2 PRO 108 1HD PRO 108 22.653 -6.733 6.163 720 HD3 PRO 108 2HD PRO 108 21.811 -7.154 4.658 721 H LYS 109 H LYS 109 21.414 -8.908 8.921 722 HA LYS 109 HA LYS 109 20.298 -11.088 10.252 723 HB2 LYS 109 1HB LYS 109 20.294 -9.634 12.258 724 HB3 LYS 109 2HB LYS 109 21.820 -9.596 11.386 725 HG2 LYS 109 1HG LYS 109 21.292 -7.444 10.459 726 HG3 LYS 109 2HG LYS 109 19.661 -7.513 11.120 727 HD2 LYS 109 1HD LYS 109 21.074 -6.071 12.473 728 HD3 LYS 109 2HD LYS 109 20.582 -7.495 13.389 729 HE2 LYS 109 1HE LYS 109 22.749 -8.526 12.956 730 HE3 LYS 109 2HE LYS 109 23.238 -7.117 12.015 731 HZ1 LYS 109 3HZ LYS 109 22.559 -7.127 14.906 732 HZ2 LYS 109 1HZ LYS 109 23.004 -5.764 14.011 733 HZ3 LYS 109 2HZ LYS 109 24.114 -7.016 14.254 734 H GLN 110 H GLN 110 18.830 -7.931 9.595 735 HA GLN 110 HA GLN 110 16.343 -8.730 10.776 736 HB2 GLN 110 1HB GLN 110 15.729 -6.444 10.553 737 HB3 GLN 110 2HB GLN 110 17.331 -6.564 11.227 738 HG2 GLN 110 1HG GLN 110 18.263 -6.086 9.069 739 HG3 GLN 110 2HG GLN 110 16.628 -5.890 8.435 740 HE21 GLN 110 2HE2 GLN 110 17.442 -4.878 11.644 741 HE22 GLN 110 1HE2 GLN 110 17.376 -3.176 11.347 742 H LEU 111 H LEU 111 17.765 -8.751 7.822 743 HA LEU 111 HA LEU 111 15.436 -8.327 6.198 744 HB2 LEU 111 1HB LEU 111 17.554 -7.647 5.367 745 HB3 LEU 111 2HB LEU 111 18.263 -9.202 5.703 746 HG LEU 111 HG LEU 111 17.871 -8.609 3.263 747 HD11 LEU 111 1HD1 LEU 111 16.595 -11.146 4.265 748 HD12 LEU 111 2HD1 LEU 111 18.310 -10.901 3.935 749 HD13 LEU 111 3HD1 LEU 111 17.141 -10.843 2.616 750 HD21 LEU 111 3HD2 LEU 111 15.695 -7.577 3.479 751 HD22 LEU 111 1HD2 LEU 111 15.000 -9.102 4.031 752 HD23 LEU 111 2HD2 LEU 111 15.609 -8.954 2.381 753 H GLU 112 H GLU 112 17.359 -11.092 7.321 754 HA GLU 112 HA GLU 112 15.826 -13.085 6.014 755 HB2 GLU 112 1HB GLU 112 16.806 -14.623 7.720 756 HB3 GLU 112 2HB GLU 112 18.006 -13.641 6.887 757 HG2 GLU 112 1HG GLU 112 18.283 -12.225 8.739 758 HG3 GLU 112 2HG GLU 112 16.842 -12.860 9.530 759 H VAL 113 H VAL 113 15.464 -11.291 8.959 760 HA VAL 113 HA VAL 113 13.463 -12.731 10.257 761 HB VAL 113 HB VAL 113 13.977 -9.753 10.147 762 HG11 VAL 113 1HG1 VAL 113 12.206 -11.290 12.036 763 HG12 VAL 113 2HG1 VAL 113 11.679 -10.125 10.822 764 HG13 VAL 113 3HG1 VAL 113 12.650 -9.591 12.195 765 HG21 VAL 113 3HG2 VAL 113 14.695 -11.837 12.204 766 HG22 VAL 113 1HG2 VAL 113 15.029 -10.109 12.322 767 HG23 VAL 113 2HG2 VAL 113 15.805 -11.073 11.064 768 H LEU 114 H LEU 114 13.234 -10.196 7.791 769 HA LEU 114 HA LEU 114 10.369 -10.430 7.604 770 HB2 LEU 114 1HB LEU 114 12.460 -8.813 6.214 771 HB3 LEU 114 2HB LEU 114 10.888 -8.988 5.467 772 HG LEU 114 HG LEU 114 9.866 -8.054 7.560 773 HD11 LEU 114 1HD1 LEU 114 11.297 -6.836 9.105 774 HD12 LEU 114 2HD1 LEU 114 12.728 -7.415 8.251 775 HD13 LEU 114 3HD1 LEU 114 11.688 -8.556 9.103 776 HD21 LEU 114 3HD2 LEU 114 10.208 -6.675 5.592 777 HD22 LEU 114 1HD2 LEU 114 11.855 -6.313 6.112 778 HD23 LEU 114 2HD2 LEU 114 10.484 -5.740 7.062 779 H PHE 115 H PHE 115 13.046 -12.039 6.349 780 HA PHE 115 HA PHE 115 12.023 -12.718 3.763 781 HB2 PHE 115 1HB PHE 115 14.453 -12.682 4.507 782 HB3 PHE 115 2HB PHE 115 14.105 -14.179 5.364 783 HD1 PHE 115 HD2 PHE 115 14.380 -12.620 2.045 784 HD2 PHE 115 HD1 PHE 115 13.970 -16.254 4.220 785 HE1 PHE 115 HE2 PHE 115 14.902 -13.896 0.006 786 HE2 PHE 115 HE1 PHE 115 14.496 -17.536 2.187 787 HZ PHE 115 HZ PHE 115 14.964 -16.356 0.078 788 H GLN 116 H GLN 116 12.143 -14.300 6.916 789 HA GLN 116 HA GLN 116 11.084 -16.780 5.931 790 HB2 GLN 116 1HB GLN 116 11.535 -15.788 8.732 791 HB3 GLN 116 2HB GLN 116 11.044 -17.422 8.315 792 HG2 GLN 116 1HG GLN 116 13.122 -17.740 7.080 793 HG3 GLN 116 2HG GLN 116 13.614 -16.096 7.483 794 HE21 GLN 116 2HE2 GLN 116 11.927 -18.194 9.704 795 HE22 GLN 116 1HE2 GLN 116 13.248 -18.414 10.796 796 H GLY 117 H GLY 117 9.288 -15.180 5.068 797 HA2 GLY 117 1HA GLY 117 6.964 -16.208 6.473 798 HA3 GLY 117 2HA GLY 117 7.053 -14.450 6.409 799 HA PRO 118 HA PRO 118 6.050 -13.955 1.989 800 HB2 PRO 118 1HB PRO 118 9.043 -13.757 1.874 801 HB3 PRO 118 2HB PRO 118 7.841 -12.847 0.977 802 HG2 PRO 118 1HG PRO 118 8.962 -11.810 3.135 803 HG3 PRO 118 2HG PRO 118 7.237 -11.562 2.800 804 HD2 PRO 118 1HD PRO 118 8.517 -13.205 4.876 805 HD3 PRO 118 2HD PRO 118 6.866 -12.566 4.785 806 H GLN 119 H GLN 119 8.162 -14.557 0.061 807 HA GLN 119 HA GLN 119 8.949 -16.158 -1.305 808 HB2 GLN 119 1HB GLN 119 10.002 -17.048 0.796 809 HB3 GLN 119 2HB GLN 119 8.615 -18.110 0.978 810 HG2 GLN 119 1HG GLN 119 9.152 -19.229 -1.094 811 HG3 GLN 119 2HG GLN 119 10.477 -18.106 -1.388 812 HE21 GLN 119 2HE2 GLN 119 9.755 -19.330 1.787 813 HE22 GLN 119 1HE2 GLN 119 11.145 -20.344 1.931 814 H PHE 120 H PHE 120 7.503 -18.956 -0.162 815 HA PHE 120 HA PHE 120 5.891 -20.307 -0.968 816 HB2 PHE 120 1HB PHE 120 4.548 -17.698 -1.667 817 HB3 PHE 120 2HB PHE 120 3.816 -19.266 -1.987 818 HD1 PHE 120 HD2 PHE 120 4.914 -16.948 0.639 819 HD2 PHE 120 HD1 PHE 120 2.879 -20.578 -0.231 820 HE1 PHE 120 HE2 PHE 120 4.024 -16.990 2.930 821 HE2 PHE 120 HE1 PHE 120 1.983 -20.629 2.059 822 HZ PHE 120 HZ PHE 120 2.557 -18.833 3.642 823 H THR 121 H THR 121 6.202 -17.654 -3.335 824 HA THR 121 HA THR 121 7.181 -19.627 -5.274 825 HB THR 121 HB THR 121 5.887 -18.455 -7.068 826 HG1 THR 121 HG1 THR 121 3.898 -17.433 -5.679 827 HG21 THR 121 3HG2 THR 121 4.213 -19.711 -4.891 828 HG22 THR 121 1HG2 THR 121 5.077 -20.573 -6.163 829 HG23 THR 121 2HG2 THR 121 3.730 -19.512 -6.576 830 H LEU 122 H LEU 122 8.942 -18.918 -6.401 831 HA LEU 122 HA LEU 122 9.945 -16.280 -5.738 832 HB2 LEU 122 1HB LEU 122 11.967 -17.019 -7.047 833 HB3 LEU 122 2HB LEU 122 11.598 -17.939 -5.606 834 HG LEU 122 HG LEU 122 10.463 -19.614 -7.199 835 HD11 LEU 122 1HD1 LEU 122 11.383 -19.673 -9.459 836 HD12 LEU 122 2HD1 LEU 122 12.187 -18.130 -9.173 837 HD13 LEU 122 3HD1 LEU 122 10.426 -18.217 -9.190 838 HD21 LEU 122 3HD2 LEU 122 13.448 -19.228 -7.214 839 HD22 LEU 122 1HD2 LEU 122 12.603 -20.722 -7.617 840 HD23 LEU 122 2HD2 LEU 122 12.508 -20.068 -5.982 841 H ARG 123 H ARG 123 11.058 -15.045 -7.590 842 HA ARG 123 HA ARG 123 10.814 -13.715 -9.427 843 HB2 ARG 123 1HB ARG 123 10.378 -16.146 -10.488 844 HB3 ARG 123 2HB ARG 123 8.775 -15.466 -10.718 845 HG2 ARG 123 1HG ARG 123 9.935 -15.054 -12.716 846 HG3 ARG 123 2HG ARG 123 9.917 -13.511 -11.858 847 HD2 ARG 123 1HD ARG 123 12.114 -13.927 -12.802 848 HD3 ARG 123 2HD ARG 123 12.188 -13.955 -11.039 849 HE ARG 123 HE ARG 123 11.786 -16.562 -12.117 850 HH11 ARG 123 1HH1 ARG 123 14.247 -14.128 -11.559 851 HH12 ARG 123 2HH1 ARG 123 15.545 -15.276 -11.503 852 HH21 ARG 123 1HH2 ARG 123 13.488 -18.073 -12.031 853 HH22 ARG 123 2HH2 ARG 123 15.111 -17.523 -11.757 854 H HIS 124 H HIS 124 8.504 -13.080 -10.939 855 HA HIS 124 HA HIS 124 6.550 -11.940 -10.896 856 HB2 HIS 124 1HB HIS 124 6.116 -13.707 -8.511 857 HB3 HIS 124 2HB HIS 124 4.937 -12.483 -8.955 858 HD1 HIS 124 HD1 HIS 124 3.057 -13.683 -10.005 859 HD2 HIS 124 HD2 HIS 124 6.726 -15.152 -11.287 860 HE1 HIS 124 HE1 HIS 124 2.519 -15.448 -11.711 861 HE2 HIS 124 HE2 HIS 124 4.747 -16.440 -12.335 862 H TRP 125 H TRP 125 6.293 -9.881 -10.531 863 HA TRP 125 HA TRP 125 7.443 -8.665 -8.152 864 HB2 TRP 125 1HB TRP 125 6.942 -6.520 -9.292 865 HB3 TRP 125 2HB TRP 125 7.928 -7.591 -10.281 866 HD1 TRP 125 HD1 TRP 125 4.564 -5.852 -10.201 867 HE1 TRP 125 HE1 TRP 125 3.380 -6.203 -12.459 868 HE3 TRP 125 HE3 TRP 125 7.707 -9.336 -12.240 869 HZ2 TRP 125 HZ2 TRP 125 3.731 -7.750 -14.789 870 HZ3 TRP 125 HZ3 TRP 125 7.207 -10.200 -14.488 871 HH2 TRP 125 HH2 TRP 125 5.258 -9.421 -15.733 872 H LEU 126 H LEU 126 6.054 -6.750 -7.286 873 HA LEU 126 HA LEU 126 3.352 -7.779 -6.767 874 HB2 LEU 126 1HB LEU 126 4.682 -8.289 -4.874 875 HB3 LEU 126 2HB LEU 126 5.445 -6.720 -4.900 876 HG LEU 126 HG LEU 126 3.337 -5.682 -4.184 877 HD11 LEU 126 1HD1 LEU 126 2.344 -8.508 -3.825 878 HD12 LEU 126 2HD1 LEU 126 1.869 -7.459 -5.156 879 HD13 LEU 126 3HD1 LEU 126 1.464 -7.015 -3.499 880 HD21 LEU 126 3HD2 LEU 126 5.016 -6.350 -2.540 881 HD22 LEU 126 1HD2 LEU 126 4.273 -7.942 -2.418 882 HD23 LEU 126 2HD2 LEU 126 3.385 -6.511 -1.892 883 H LYS 127 H LYS 127 1.737 -6.243 -6.462 884 HA LYS 127 HA LYS 127 2.267 -3.493 -6.054 885 HB2 LYS 127 1HB LYS 127 1.517 -2.556 -8.062 886 HB3 LYS 127 2HB LYS 127 2.633 -3.808 -8.569 887 HG2 LYS 127 1HG LYS 127 0.864 -5.231 -9.239 888 HG3 LYS 127 2HG LYS 127 -0.343 -4.220 -8.444 889 HD2 LYS 127 1HD LYS 127 1.350 -3.374 -10.795 890 HD3 LYS 127 2HD LYS 127 -0.312 -3.948 -10.904 891 HE2 LYS 127 1HE LYS 127 0.600 -1.497 -9.393 892 HE3 LYS 127 2HE LYS 127 -0.163 -1.493 -10.979 893 HZ1 LYS 127 3HZ LYS 127 -1.376 -2.250 -8.381 894 HZ2 LYS 127 1HZ LYS 127 -2.093 -2.636 -9.867 895 HZ3 LYS 127 2HZ LYS 127 -1.847 -1.022 -9.439 896 H VAL 128 H VAL 128 0.300 -2.259 -5.809 897 HA VAL 128 HA VAL 128 -2.218 -3.447 -6.265 898 HB VAL 128 HB VAL 128 -1.894 -4.563 -4.189 899 HG11 VAL 128 1HG1 VAL 128 -1.589 -3.352 -2.089 900 HG12 VAL 128 2HG1 VAL 128 -1.267 -1.887 -3.022 901 HG13 VAL 128 3HG1 VAL 128 -0.198 -3.284 -3.168 902 HG21 VAL 128 3HG2 VAL 128 -3.746 -2.247 -3.771 903 HG22 VAL 128 1HG2 VAL 128 -3.807 -3.812 -2.960 904 HG23 VAL 128 2HG2 VAL 128 -4.115 -3.705 -4.691 Start of MODEL 18 1 H1 GLY 13 1H GLY 13 7.845 -10.177 15.020 2 H2 GLY 13 2H GLY 13 8.339 -8.759 14.247 3 H3 GLY 13 3H GLY 13 7.015 -8.730 15.293 4 HA2 GLY 13 1HA GLY 13 8.440 -9.269 17.165 5 HA3 GLY 13 2HA GLY 13 9.819 -9.284 16.075 6 H SER 14 H SER 14 10.972 -7.581 16.823 7 HA SER 14 HA SER 14 9.657 -4.950 16.703 8 HB2 SER 14 1HB SER 14 11.767 -5.779 18.710 9 HB3 SER 14 2HB SER 14 10.955 -4.216 18.626 10 HG SER 14 HG SER 14 10.195 -6.189 20.062 11 HA PRO 15 HA PRO 15 13.348 -4.905 13.949 12 HB2 PRO 15 1HB PRO 15 12.183 -3.585 11.903 13 HB3 PRO 15 2HB PRO 15 12.021 -5.331 12.117 14 HG2 PRO 15 1HG PRO 15 10.089 -3.153 12.773 15 HG3 PRO 15 2HG PRO 15 9.781 -4.763 12.099 16 HD2 PRO 15 1HD PRO 15 9.424 -4.090 14.742 17 HD3 PRO 15 2HD PRO 15 9.720 -5.739 14.161 18 H GLY 16 H GLY 16 14.740 -3.195 13.477 19 HA2 GLY 16 1HA GLY 16 14.336 -0.843 15.093 20 HA3 GLY 16 2HA GLY 16 15.770 -1.238 14.159 21 H ILE 17 H ILE 17 12.368 -0.400 13.602 22 HA ILE 17 HA ILE 17 13.273 1.408 11.469 23 HB ILE 17 HB ILE 17 11.051 1.095 10.422 24 HG12 ILE 17 1HG1 ILE 17 10.734 -0.890 12.674 25 HG13 ILE 17 2HG1 ILE 17 9.658 0.424 12.206 26 HG21 ILE 17 1HG2 ILE 17 11.527 -1.146 9.528 27 HG22 ILE 17 2HG2 ILE 17 12.684 -1.407 10.835 28 HG23 ILE 17 3HG2 ILE 17 12.976 -0.145 9.638 29 HD11 ILE 17 3HD1 ILE 17 10.140 -2.100 10.645 30 HD12 ILE 17 1HD1 ILE 17 9.069 -0.781 10.172 31 HD13 ILE 17 2HD1 ILE 17 8.717 -1.727 11.619 32 HA PRO 18 HA PRO 18 12.250 4.620 13.990 33 HB2 PRO 18 1HB PRO 18 11.563 6.604 12.228 34 HB3 PRO 18 2HB PRO 18 13.211 6.047 12.523 35 HG2 PRO 18 1HG PRO 18 11.375 5.410 10.275 36 HG3 PRO 18 2HG PRO 18 13.136 5.620 10.270 37 HD2 PRO 18 1HD PRO 18 11.895 3.195 10.197 38 HD3 PRO 18 2HD PRO 18 13.513 3.446 10.852 39 H VAL 19 H VAL 19 9.852 5.562 11.560 40 HA VAL 19 HA VAL 19 7.834 5.536 13.675 41 HB VAL 19 HB VAL 19 8.070 7.158 11.198 42 HG11 VAL 19 1HG1 VAL 19 5.927 7.190 13.284 43 HG12 VAL 19 2HG1 VAL 19 5.764 6.649 11.616 44 HG13 VAL 19 3HG1 VAL 19 6.079 8.348 11.964 45 HG21 VAL 19 3HG2 VAL 19 9.590 7.875 12.943 46 HG22 VAL 19 1HG2 VAL 19 8.255 7.938 14.092 47 HG23 VAL 19 2HG2 VAL 19 8.302 9.061 12.734 48 HA PRO 20 HA PRO 20 6.282 2.330 10.926 49 HB2 PRO 20 1HB PRO 20 5.089 1.060 13.148 50 HB3 PRO 20 2HB PRO 20 6.622 0.671 12.381 51 HG2 PRO 20 1HG PRO 20 6.283 1.701 14.963 52 HG3 PRO 20 2HG PRO 20 7.805 1.602 14.064 53 HD2 PRO 20 1HD PRO 20 5.989 3.924 14.457 54 HD3 PRO 20 2HD PRO 20 7.751 3.886 14.242 55 H GLY 21 H GLY 21 4.574 2.721 9.762 56 HA2 GLY 21 1HA GLY 21 2.080 2.320 9.856 57 HA3 GLY 21 2HA GLY 21 2.080 3.549 11.110 58 H LYS 22 H LYS 22 1.795 5.530 10.570 59 HA LYS 22 HA LYS 22 2.226 7.500 9.494 60 HB2 LYS 22 1HB LYS 22 2.764 5.847 7.051 61 HB3 LYS 22 2HB LYS 22 2.639 7.599 7.012 62 HG2 LYS 22 1HG LYS 22 4.637 5.991 8.595 63 HG3 LYS 22 2HG LYS 22 4.959 6.903 7.121 64 HD2 LYS 22 1HD LYS 22 4.057 8.062 9.760 65 HD3 LYS 22 2HD LYS 22 5.692 8.123 9.111 66 HE2 LYS 22 1HE LYS 22 3.259 9.361 7.829 67 HE3 LYS 22 2HE LYS 22 4.461 10.228 8.777 68 HZ1 LYS 22 3HZ LYS 22 4.934 10.517 6.473 69 HZ2 LYS 22 1HZ LYS 22 4.901 8.851 6.183 70 HZ3 LYS 22 2HZ LYS 22 6.135 9.524 7.123 71 H VAL 23 H VAL 23 0.442 5.766 6.773 72 HA VAL 23 HA VAL 23 -1.575 7.809 7.470 73 HB VAL 23 HB VAL 23 -1.846 8.485 5.139 74 HG11 VAL 23 1HG1 VAL 23 0.999 8.663 6.088 75 HG12 VAL 23 2HG1 VAL 23 -0.320 9.728 6.576 76 HG13 VAL 23 3HG1 VAL 23 0.242 9.725 4.902 77 HG21 VAL 23 3HG2 VAL 23 -1.128 6.506 3.966 78 HG22 VAL 23 1HG2 VAL 23 0.507 6.684 4.600 79 HG23 VAL 23 2HG2 VAL 23 -0.137 7.875 3.471 80 H THR 24 H THR 24 -3.675 7.542 6.482 81 HA THR 24 HA THR 24 -4.227 4.829 5.539 82 HB THR 24 HB THR 24 -4.815 4.747 7.873 83 HG1 THR 24 HG1 THR 24 -6.345 3.950 6.123 84 HG21 THR 24 3HG2 THR 24 -6.487 6.240 8.868 85 HG22 THR 24 1HG2 THR 24 -6.546 7.167 7.369 86 HG23 THR 24 2HG2 THR 24 -5.065 7.131 8.324 87 H LEU 25 H LEU 25 -5.149 4.935 3.654 88 HA LEU 25 HA LEU 25 -6.844 7.244 2.964 89 HB2 LEU 25 1HB LEU 25 -5.088 5.491 1.234 90 HB3 LEU 25 2HB LEU 25 -6.295 6.565 0.567 91 HG LEU 25 HG LEU 25 -4.244 7.689 0.349 92 HD11 LEU 25 1HD1 LEU 25 -6.056 9.097 1.149 93 HD12 LEU 25 2HD1 LEU 25 -4.495 9.659 1.741 94 HD13 LEU 25 3HD1 LEU 25 -5.578 8.778 2.816 95 HD21 LEU 25 3HD2 LEU 25 -2.892 6.355 1.846 96 HD22 LEU 25 1HD2 LEU 25 -3.702 7.061 3.244 97 HD23 LEU 25 2HD2 LEU 25 -2.694 8.070 2.207 98 H GLN 26 H GLN 26 -7.974 6.068 0.637 99 HA GLN 26 HA GLN 26 -9.040 3.513 1.495 100 HB2 GLN 26 1HB GLN 26 -11.285 4.109 1.297 101 HB3 GLN 26 2HB GLN 26 -10.562 5.444 2.180 102 HG2 GLN 26 1HG GLN 26 -10.415 6.690 0.049 103 HG3 GLN 26 2HG GLN 26 -11.311 5.385 -0.725 104 HE21 GLN 26 2HE2 GLN 26 -12.837 5.000 1.839 105 HE22 GLN 26 1HE2 GLN 26 -14.030 6.256 1.809 106 H LYS 27 H LYS 27 -9.768 2.244 -0.153 107 HA LYS 27 HA LYS 27 -8.323 1.861 -2.345 108 HB2 LYS 27 1HB LYS 27 -11.297 1.429 -2.293 109 HB3 LYS 27 2HB LYS 27 -10.170 0.653 -3.374 110 HG2 LYS 27 1HG LYS 27 -10.318 0.303 -0.394 111 HG3 LYS 27 2HG LYS 27 -10.808 -0.862 -1.629 112 HD2 LYS 27 1HD LYS 27 -8.332 -0.497 -2.439 113 HD3 LYS 27 2HD LYS 27 -8.110 -0.039 -0.754 114 HE2 LYS 27 1HE LYS 27 -9.317 -2.626 -1.679 115 HE3 LYS 27 2HE LYS 27 -7.643 -2.417 -1.165 116 HZ1 LYS 27 3HZ LYS 27 -8.661 -1.509 0.973 117 HZ2 LYS 27 1HZ LYS 27 -8.722 -3.184 0.712 118 HZ3 LYS 27 2HZ LYS 27 -10.097 -2.235 0.455 119 H ASP 28 H ASP 28 -8.336 2.181 -4.445 120 HA ASP 28 HA ASP 28 -9.417 4.614 -5.568 121 HB2 ASP 28 1HB ASP 28 -7.143 3.958 -6.127 122 HB3 ASP 28 2HB ASP 28 -7.685 2.376 -6.658 123 H ALA 29 H ALA 29 -10.346 4.219 -7.975 124 HA ALA 29 HA ALA 29 -12.813 2.938 -7.736 125 HB1 ALA 29 3HB ALA 29 -12.322 4.715 -9.366 126 HB2 ALA 29 1HB ALA 29 -13.080 3.305 -10.107 127 HB3 ALA 29 2HB ALA 29 -11.348 3.571 -10.288 128 H GLN 30 H GLN 30 -9.700 1.661 -8.598 129 HA GLN 30 HA GLN 30 -10.854 -0.812 -9.641 130 HB2 GLN 30 1HB GLN 30 -8.714 0.489 -10.484 131 HB3 GLN 30 2HB GLN 30 -7.991 -0.461 -9.217 132 HG2 GLN 30 1HG GLN 30 -8.563 -2.496 -10.247 133 HG3 GLN 30 2HG GLN 30 -9.642 -1.687 -11.384 134 HE21 GLN 30 2HE2 GLN 30 -6.357 -2.356 -10.537 135 HE22 GLN 30 1HE2 GLN 30 -5.655 -1.836 -12.021 136 H ASN 31 H ASN 31 -10.848 0.222 -6.832 137 HA ASN 31 HA ASN 31 -10.817 -0.495 -4.733 138 HB2 ASN 31 1HB ASN 31 -11.567 -2.676 -4.308 139 HB3 ASN 31 2HB ASN 31 -12.312 -2.158 -5.790 140 HD21 ASN 31 2HD2 ASN 31 -10.110 -4.366 -4.333 141 HD22 ASN 31 1HD2 ASN 31 -9.952 -5.407 -5.695 142 H LEU 32 H LEU 32 -8.282 -0.135 -6.003 143 HA LEU 32 HA LEU 32 -6.700 -1.660 -4.049 144 HB2 LEU 32 1HB LEU 32 -4.781 -1.400 -5.744 145 HB3 LEU 32 2HB LEU 32 -5.986 -2.629 -6.028 146 HG LEU 32 HG LEU 32 -7.099 -1.134 -7.667 147 HD11 LEU 32 1HD1 LEU 32 -6.258 1.009 -6.809 148 HD12 LEU 32 2HD1 LEU 32 -5.930 0.797 -8.528 149 HD13 LEU 32 3HD1 LEU 32 -4.638 0.572 -7.349 150 HD21 LEU 32 3HD2 LEU 32 -5.593 -2.867 -8.407 151 HD22 LEU 32 1HD2 LEU 32 -4.207 -1.802 -8.170 152 HD23 LEU 32 2HD2 LEU 32 -5.400 -1.434 -9.415 153 H ILE 33 H ILE 33 -4.240 -0.320 -4.393 154 HA ILE 33 HA ILE 33 -5.036 2.305 -3.373 155 HB ILE 33 HB ILE 33 -2.267 1.667 -2.905 156 HG12 ILE 33 1HG1 ILE 33 -4.277 -0.270 -1.720 157 HG13 ILE 33 2HG1 ILE 33 -3.157 -0.683 -3.018 158 HG21 ILE 33 1HG2 ILE 33 -4.675 2.173 -1.179 159 HG22 ILE 33 2HG2 ILE 33 -3.474 3.353 -1.711 160 HG23 ILE 33 3HG2 ILE 33 -3.021 2.085 -0.570 161 HD11 ILE 33 3HD1 ILE 33 -2.415 0.179 -0.221 162 HD12 ILE 33 1HD1 ILE 33 -1.279 -0.216 -1.513 163 HD13 ILE 33 2HD1 ILE 33 -2.347 -1.461 -0.865 164 H GLY 34 H GLY 34 -3.205 0.683 -5.833 165 HA2 GLY 34 1HA GLY 34 -2.636 1.765 -7.870 166 HA3 GLY 34 2HA GLY 34 -2.609 3.307 -7.023 167 H ILE 35 H ILE 35 -1.005 0.285 -6.108 168 HA ILE 35 HA ILE 35 1.602 1.610 -6.568 169 HB ILE 35 HB ILE 35 2.446 0.601 -4.464 170 HG12 ILE 35 1HG1 ILE 35 0.506 0.173 -2.744 171 HG13 ILE 35 2HG1 ILE 35 -0.430 -0.177 -4.187 172 HG21 ILE 35 1HG2 ILE 35 1.899 2.926 -4.500 173 HG22 ILE 35 2HG2 ILE 35 1.382 2.250 -2.956 174 HG23 ILE 35 3HG2 ILE 35 0.194 2.576 -4.218 175 HD11 ILE 35 3HD1 ILE 35 2.091 -1.587 -3.375 176 HD12 ILE 35 1HD1 ILE 35 1.094 -1.954 -4.787 177 HD13 ILE 35 2HD1 ILE 35 0.446 -2.190 -3.162 178 H SER 36 H SER 36 3.397 0.056 -6.286 179 HA SER 36 HA SER 36 2.722 -2.688 -6.999 180 HB2 SER 36 1HB SER 36 4.539 -0.853 -8.550 181 HB3 SER 36 2HB SER 36 4.682 -2.609 -8.646 182 HG SER 36 HG SER 36 2.217 -2.316 -8.962 183 H ILE 37 H ILE 37 3.813 -4.105 -5.895 184 HA ILE 37 HA ILE 37 6.019 -3.115 -4.212 185 HB ILE 37 HB ILE 37 4.255 -5.515 -3.744 186 HG12 ILE 37 1HG1 ILE 37 3.049 -3.399 -3.436 187 HG13 ILE 37 2HG1 ILE 37 3.287 -4.226 -1.902 188 HG21 ILE 37 1HG2 ILE 37 5.298 -5.629 -1.537 189 HG22 ILE 37 2HG2 ILE 37 6.378 -4.308 -1.986 190 HG23 ILE 37 3HG2 ILE 37 6.475 -5.852 -2.831 191 HD11 ILE 37 3HD1 ILE 37 4.849 -1.868 -2.925 192 HD12 ILE 37 1HD1 ILE 37 5.172 -2.722 -1.417 193 HD13 ILE 37 2HD1 ILE 37 3.647 -1.864 -1.635 194 H GLY 38 H GLY 38 7.965 -3.713 -4.695 195 HA2 GLY 38 1HA GLY 38 8.478 -6.408 -5.751 196 HA3 GLY 38 2HA GLY 38 9.163 -5.010 -6.576 197 H GLY 39 H GLY 39 11.247 -6.078 -6.068 198 HA2 GLY 39 1HA GLY 39 12.009 -5.722 -3.240 199 HA3 GLY 39 2HA GLY 39 12.758 -6.874 -4.332 200 H GLY 40 H GLY 40 13.281 -4.035 -2.783 201 HA2 GLY 40 1HA GLY 40 14.991 -2.844 -4.762 202 HA3 GLY 40 2HA GLY 40 14.871 -2.391 -3.070 203 H ALA 41 H ALA 41 17.287 -2.259 -3.514 204 HA ALA 41 HA ALA 41 18.469 -4.742 -2.556 205 HB1 ALA 41 3HB ALA 41 18.687 -4.922 -4.976 206 HB2 ALA 41 1HB ALA 41 20.264 -4.732 -4.209 207 HB3 ALA 41 2HB ALA 41 19.510 -3.363 -5.027 208 H GLN 42 H GLN 42 20.200 -1.988 -3.956 209 HA GLN 42 HA GLN 42 21.017 -1.210 -1.236 210 HB2 GLN 42 1HB GLN 42 22.816 -1.634 -3.623 211 HB3 GLN 42 2HB GLN 42 23.320 -0.810 -2.157 212 HG2 GLN 42 1HG GLN 42 22.990 -2.820 -0.867 213 HG3 GLN 42 2HG GLN 42 22.353 -3.657 -2.283 214 HE21 GLN 42 2HE2 GLN 42 24.687 -4.266 -0.590 215 HE22 GLN 42 1HE2 GLN 42 26.035 -4.317 -1.671 216 H TYR 43 H TYR 43 21.641 -0.168 -4.585 217 HA TYR 43 HA TYR 43 20.745 2.534 -3.864 218 HB2 TYR 43 1HB TYR 43 23.356 1.829 -5.216 219 HB3 TYR 43 2HB TYR 43 22.698 3.454 -5.131 220 HD1 TYR 43 HD1 TYR 43 22.581 4.625 -2.949 221 HD2 TYR 43 HD2 TYR 43 24.475 0.838 -3.357 222 HE1 TYR 43 HE1 TYR 43 23.751 4.986 -0.817 223 HE2 TYR 43 HE2 TYR 43 25.644 1.185 -1.224 224 HH TYR 43 HH TYR 43 26.355 3.041 0.193 225 H CYS 44 H CYS 44 19.294 0.628 -5.384 226 HA CYS 44 HA CYS 44 19.094 2.165 -7.826 227 HB2 CYS 44 1HB CYS 44 19.991 -0.654 -7.781 228 HB3 CYS 44 2HB CYS 44 18.848 -0.207 -9.039 229 HG CYS 44 HG CYS 44 21.589 1.734 -8.572 230 HA PRO 45 HA PRO 45 14.967 0.107 -7.523 231 HB2 PRO 45 1HB PRO 45 14.608 -2.410 -6.557 232 HB3 PRO 45 2HB PRO 45 15.141 -2.066 -8.200 233 HG2 PRO 45 1HG PRO 45 16.643 -3.229 -5.997 234 HG3 PRO 45 2HG PRO 45 17.060 -3.145 -7.714 235 HD2 PRO 45 1HD PRO 45 17.968 -1.462 -5.518 236 HD3 PRO 45 2HD PRO 45 18.572 -1.558 -7.179 237 H CYS 46 H CYS 46 13.230 0.382 -6.151 238 HA CYS 46 HA CYS 46 13.927 1.136 -3.461 239 HB2 CYS 46 1HB CYS 46 11.237 1.167 -4.837 240 HB3 CYS 46 2HB CYS 46 11.664 2.015 -3.353 241 HG CYS 46 HG CYS 46 13.802 3.375 -4.967 242 H LEU 47 H LEU 47 12.960 0.305 -1.549 243 HA LEU 47 HA LEU 47 12.402 -2.491 -1.760 244 HB2 LEU 47 1HB LEU 47 13.503 -0.737 0.239 245 HB3 LEU 47 2HB LEU 47 12.292 -1.819 0.919 246 HG LEU 47 HG LEU 47 14.490 -2.798 -0.859 247 HD11 LEU 47 1HD1 LEU 47 15.646 -3.530 1.190 248 HD12 LEU 47 2HD1 LEU 47 14.477 -2.624 2.151 249 HD13 LEU 47 3HD1 LEU 47 15.567 -1.775 1.053 250 HD21 LEU 47 3HD2 LEU 47 12.517 -4.171 -0.632 251 HD22 LEU 47 1HD2 LEU 47 12.705 -4.165 1.120 252 HD23 LEU 47 2HD2 LEU 47 13.926 -4.939 0.107 253 H TYR 48 H TYR 48 10.683 -3.505 -1.372 254 HA TYR 48 HA TYR 48 8.498 -3.957 -1.350 255 HB2 TYR 48 1HB TYR 48 8.276 -1.522 0.419 256 HB3 TYR 48 2HB TYR 48 7.048 -2.776 0.224 257 HD1 TYR 48 HD1 TYR 48 8.450 -5.235 0.270 258 HD2 TYR 48 HD2 TYR 48 9.246 -1.727 2.534 259 HE1 TYR 48 HE1 TYR 48 9.580 -6.593 1.957 260 HE2 TYR 48 HE2 TYR 48 10.370 -3.084 4.247 261 HH TYR 48 HH TYR 48 10.426 -5.381 5.041 262 H ILE 49 H ILE 49 8.172 -0.337 -1.409 263 HA ILE 49 HA ILE 49 6.447 -0.814 -3.702 264 HB ILE 49 HB ILE 49 5.771 0.823 -1.943 265 HG12 ILE 49 1HG1 ILE 49 5.916 1.438 -4.877 266 HG13 ILE 49 2HG1 ILE 49 4.580 0.771 -3.950 267 HG21 ILE 49 1HG2 ILE 49 7.875 1.988 -1.604 268 HG22 ILE 49 2HG2 ILE 49 6.627 3.114 -2.140 269 HG23 ILE 49 3HG2 ILE 49 7.851 2.548 -3.276 270 HD11 ILE 49 3HD1 ILE 49 5.595 3.574 -3.749 271 HD12 ILE 49 1HD1 ILE 49 4.216 2.891 -2.892 272 HD13 ILE 49 2HD1 ILE 49 4.170 3.050 -4.647 273 H VAL 50 H VAL 50 7.053 -0.739 -5.704 274 HA VAL 50 HA VAL 50 9.631 0.515 -6.352 275 HB VAL 50 HB VAL 50 9.449 -0.839 -8.494 276 HG11 VAL 50 1HG1 VAL 50 10.965 -1.455 -6.692 277 HG12 VAL 50 2HG1 VAL 50 10.258 -2.901 -7.413 278 HG13 VAL 50 3HG1 VAL 50 9.663 -2.308 -5.864 279 HG21 VAL 50 3HG2 VAL 50 7.078 -1.351 -8.408 280 HG22 VAL 50 1HG2 VAL 50 7.310 -2.260 -6.914 281 HG23 VAL 50 2HG2 VAL 50 8.029 -2.837 -8.418 282 H GLN 51 H GLN 51 6.237 0.822 -6.855 283 HA GLN 51 HA GLN 51 6.657 2.997 -8.682 284 HB2 GLN 51 1HB GLN 51 6.471 1.801 -10.567 285 HB3 GLN 51 2HB GLN 51 6.069 0.340 -9.675 286 HG2 GLN 51 1HG GLN 51 3.720 1.054 -9.606 287 HG3 GLN 51 2HG GLN 51 4.139 2.495 -10.526 288 HE21 GLN 51 2HE2 GLN 51 2.314 0.310 -11.145 289 HE22 GLN 51 1HE2 GLN 51 2.838 -0.324 -12.661 290 H VAL 52 H VAL 52 4.987 4.398 -8.700 291 HA VAL 52 HA VAL 52 2.400 3.545 -7.632 292 HB VAL 52 HB VAL 52 3.773 4.746 -5.844 293 HG11 VAL 52 1HG1 VAL 52 4.867 6.486 -6.917 294 HG12 VAL 52 2HG1 VAL 52 3.540 7.304 -6.071 295 HG13 VAL 52 3HG1 VAL 52 3.419 6.975 -7.801 296 HG21 VAL 52 3HG2 VAL 52 1.441 4.506 -5.520 297 HG22 VAL 52 1HG2 VAL 52 1.088 5.777 -6.688 298 HG23 VAL 52 2HG2 VAL 52 1.848 6.182 -5.147 299 H PHE 53 H PHE 53 0.682 5.065 -8.292 300 HA PHE 53 HA PHE 53 1.317 6.190 -10.912 301 HB2 PHE 53 1HB PHE 53 -1.361 5.632 -9.624 302 HB3 PHE 53 2HB PHE 53 -1.124 6.230 -11.265 303 HD1 PHE 53 HD2 PHE 53 0.310 4.778 -12.834 304 HD2 PHE 53 HD1 PHE 53 -1.417 3.337 -9.226 305 HE1 PHE 53 HE2 PHE 53 0.546 2.467 -13.644 306 HE2 PHE 53 HE1 PHE 53 -1.190 1.027 -10.033 307 HZ PHE 53 HZ PHE 53 -0.207 0.590 -12.246 308 H ASP 54 H ASP 54 -1.248 7.958 -10.487 309 HA ASP 54 HA ASP 54 0.094 9.970 -8.799 310 HB2 ASP 54 1HB ASP 54 0.377 10.441 -11.236 311 HB3 ASP 54 2HB ASP 54 -1.371 10.607 -11.359 312 H ASN 55 H ASN 55 -2.951 8.858 -10.126 313 HA ASN 55 HA ASN 55 -4.417 10.724 -8.443 314 HB2 ASN 55 1HB ASN 55 -5.057 9.338 -10.995 315 HB3 ASN 55 2HB ASN 55 -6.384 9.732 -9.910 316 HD21 ASN 55 2HD2 ASN 55 -3.446 11.602 -10.349 317 HD22 ASN 55 1HD2 ASN 55 -4.217 12.961 -11.071 318 H THR 56 H THR 56 -3.115 8.000 -7.908 319 HA THR 56 HA THR 56 -5.432 6.533 -6.934 320 HB THR 56 HB THR 56 -3.854 4.775 -6.365 321 HG1 THR 56 HG1 THR 56 -1.698 5.082 -6.373 322 HG21 THR 56 3HG2 THR 56 -4.578 4.815 -8.660 323 HG22 THR 56 1HG2 THR 56 -2.885 4.340 -8.596 324 HG23 THR 56 2HG2 THR 56 -3.317 5.978 -9.067 325 HA PRO 57 HA PRO 57 -5.438 8.546 -3.069 326 HB2 PRO 57 1HB PRO 57 -5.503 6.278 -1.380 327 HB3 PRO 57 2HB PRO 57 -6.895 7.143 -2.022 328 HG2 PRO 57 1HG PRO 57 -5.598 4.651 -3.014 329 HG3 PRO 57 2HG PRO 57 -7.310 5.102 -3.008 330 HD2 PRO 57 1HD PRO 57 -5.880 5.184 -5.255 331 HD3 PRO 57 2HD PRO 57 -7.091 6.438 -4.903 332 H ALA 58 H ALA 58 -3.426 5.674 -3.310 333 HA ALA 58 HA ALA 58 -1.521 6.108 -1.352 334 HB1 ALA 58 3HB ALA 58 -0.032 4.738 -2.779 335 HB2 ALA 58 1HB ALA 58 -1.206 4.874 -4.084 336 HB3 ALA 58 2HB ALA 58 -1.639 4.044 -2.588 337 H ALA 59 H ALA 59 -1.283 7.065 -4.815 338 HA ALA 59 HA ALA 59 1.117 8.603 -4.359 339 HB1 ALA 59 3HB ALA 59 -0.797 8.482 -6.688 340 HB2 ALA 59 1HB ALA 59 0.724 7.606 -6.511 341 HB3 ALA 59 2HB ALA 59 0.736 9.358 -6.687 342 H LEU 60 H LEU 60 -2.158 9.384 -5.325 343 HA LEU 60 HA LEU 60 -2.307 12.052 -5.478 344 HB2 LEU 60 1HB LEU 60 -4.007 10.107 -5.608 345 HB3 LEU 60 2HB LEU 60 -4.335 10.479 -3.937 346 HG LEU 60 HG LEU 60 -5.973 11.416 -5.511 347 HD11 LEU 60 1HD1 LEU 60 -4.408 13.452 -3.933 348 HD12 LEU 60 2HD1 LEU 60 -5.724 12.441 -3.337 349 HD13 LEU 60 3HD1 LEU 60 -6.043 13.678 -4.552 350 HD21 LEU 60 3HD2 LEU 60 -5.469 12.952 -7.137 351 HD22 LEU 60 1HD2 LEU 60 -4.009 11.966 -7.166 352 HD23 LEU 60 2HD2 LEU 60 -4.012 13.509 -6.314 353 H ASP 61 H ASP 61 -3.490 10.561 -2.487 354 HA ASP 61 HA ASP 61 -3.023 13.119 -1.165 355 HB2 ASP 61 1HB ASP 61 -5.308 12.194 -1.126 356 HB3 ASP 61 2HB ASP 61 -4.708 10.782 -0.260 357 H GLY 62 H GLY 62 -2.180 9.736 -0.958 358 HA2 GLY 62 1HA GLY 62 -1.515 9.752 1.803 359 HA3 GLY 62 2HA GLY 62 -1.005 8.542 0.638 360 H THR 63 H THR 63 0.819 9.122 -0.738 361 HA THR 63 HA THR 63 2.674 10.763 -1.084 362 HB THR 63 HB THR 63 2.490 11.661 1.313 363 HG1 THR 63 HG1 THR 63 4.872 11.026 -0.064 364 HG21 THR 63 3HG2 THR 63 4.158 9.200 1.841 365 HG22 THR 63 1HG2 THR 63 2.565 9.547 2.510 366 HG23 THR 63 2HG2 THR 63 3.948 10.542 2.967 367 H VAL 64 H VAL 64 1.806 7.774 -0.388 368 HA VAL 64 HA VAL 64 4.303 6.521 0.000 369 HB VAL 64 HB VAL 64 1.660 5.865 0.491 370 HG11 VAL 64 1HG1 VAL 64 1.306 4.700 -1.526 371 HG12 VAL 64 2HG1 VAL 64 1.454 3.545 -0.204 372 HG13 VAL 64 3HG1 VAL 64 2.800 3.795 -1.317 373 HG21 VAL 64 3HG2 VAL 64 4.289 4.624 0.939 374 HG22 VAL 64 1HG2 VAL 64 2.805 3.972 1.648 375 HG23 VAL 64 2HG2 VAL 64 3.313 5.623 2.013 376 H ALA 65 H ALA 65 5.005 7.779 -1.894 377 HA ALA 65 HA ALA 65 4.463 6.559 -4.471 378 HB1 ALA 65 3HB ALA 65 5.938 8.298 -5.373 379 HB2 ALA 65 1HB ALA 65 6.298 8.836 -3.733 380 HB3 ALA 65 2HB ALA 65 4.658 8.978 -4.369 381 H ALA 66 H ALA 66 6.555 6.242 -5.857 382 HA ALA 66 HA ALA 66 7.765 3.930 -4.881 383 HB1 ALA 66 3HB ALA 66 8.836 5.694 -7.074 384 HB2 ALA 66 1HB ALA 66 7.492 4.568 -7.272 385 HB3 ALA 66 2HB ALA 66 9.098 3.962 -6.862 386 H GLY 67 H GLY 67 9.415 3.597 -3.531 387 HA2 GLY 67 1HA GLY 67 11.805 4.277 -3.130 388 HA3 GLY 67 2HA GLY 67 11.165 5.901 -2.940 389 H ASP 68 H ASP 68 8.760 4.414 -1.578 390 HA ASP 68 HA ASP 68 9.916 4.670 1.080 391 HB2 ASP 68 1HB ASP 68 7.107 4.458 0.063 392 HB3 ASP 68 2HB ASP 68 7.464 4.295 1.762 393 H GLU 69 H GLU 69 9.868 3.066 2.634 394 HA GLU 69 HA GLU 69 9.842 0.378 1.523 395 HB2 GLU 69 1HB GLU 69 10.716 1.431 4.214 396 HB3 GLU 69 2HB GLU 69 10.721 -0.272 3.789 397 HG2 GLU 69 1HG GLU 69 12.925 0.458 3.501 398 HG3 GLU 69 2HG GLU 69 12.256 0.341 1.878 399 H ILE 70 H ILE 70 7.694 -0.022 1.225 400 HA ILE 70 HA ILE 70 5.852 0.423 3.452 401 HB ILE 70 HB ILE 70 5.305 -0.586 0.653 402 HG12 ILE 70 1HG1 ILE 70 4.847 2.083 2.008 403 HG13 ILE 70 2HG1 ILE 70 5.964 1.753 0.692 404 HG21 ILE 70 1HG2 ILE 70 3.363 0.129 2.854 405 HG22 ILE 70 2HG2 ILE 70 3.683 -1.494 2.244 406 HG23 ILE 70 3HG2 ILE 70 2.933 -0.290 1.196 407 HD11 ILE 70 3HD1 ILE 70 3.744 2.929 0.163 408 HD12 ILE 70 1HD1 ILE 70 3.019 1.331 0.373 409 HD13 ILE 70 2HD1 ILE 70 4.248 1.576 -0.870 410 H THR 71 H THR 71 6.216 -1.045 5.007 411 HA THR 71 HA THR 71 6.619 -3.830 4.214 412 HB THR 71 HB THR 71 8.409 -2.818 5.546 413 HG1 THR 71 HG1 THR 71 6.897 -4.845 6.859 414 HG21 THR 71 3HG2 THR 71 7.093 -1.214 6.831 415 HG22 THR 71 1HG2 THR 71 8.034 -2.250 7.907 416 HG23 THR 71 2HG2 THR 71 6.306 -2.534 7.696 417 H GLY 72 H GLY 72 4.039 -2.014 5.157 418 HA2 GLY 72 1HA GLY 72 2.847 -4.352 6.489 419 HA3 GLY 72 2HA GLY 72 2.631 -2.748 7.157 420 H VAL 73 H VAL 73 0.995 -5.001 5.772 421 HA VAL 73 HA VAL 73 -0.495 -3.406 3.844 422 HB VAL 73 HB VAL 73 -0.275 -5.466 2.817 423 HG11 VAL 73 1HG1 VAL 73 1.099 -6.391 4.717 424 HG12 VAL 73 2HG1 VAL 73 0.065 -7.572 3.918 425 HG13 VAL 73 3HG1 VAL 73 -0.411 -6.895 5.474 426 HG21 VAL 73 3HG2 VAL 73 -2.219 -6.940 3.399 427 HG22 VAL 73 1HG2 VAL 73 -2.628 -5.250 3.078 428 HG23 VAL 73 2HG2 VAL 73 -2.538 -5.834 4.742 429 H ASN 74 H ASN 74 -2.328 -2.451 4.545 430 HA ASN 74 HA ASN 74 -4.186 -1.966 5.761 431 HB2 ASN 74 1HB ASN 74 -4.057 -4.929 6.334 432 HB3 ASN 74 2HB ASN 74 -5.406 -3.904 6.786 433 HD21 ASN 74 2HD2 ASN 74 -5.389 -6.181 5.050 434 HD22 ASN 74 1HD2 ASN 74 -5.946 -5.641 3.507 435 H GLY 75 H GLY 75 -1.439 -2.019 6.999 436 HA2 GLY 75 1HA GLY 75 -0.956 -0.949 9.074 437 HA3 GLY 75 2HA GLY 75 -2.373 -1.722 9.762 438 H ARG 76 H ARG 76 -1.358 -4.335 8.377 439 HA ARG 76 HA ARG 76 0.542 -4.971 10.495 440 HB2 ARG 76 1HB ARG 76 -0.362 -7.317 9.923 441 HB3 ARG 76 2HB ARG 76 -1.332 -6.242 10.897 442 HG2 ARG 76 1HG ARG 76 -2.467 -5.604 8.708 443 HG3 ARG 76 2HG ARG 76 -1.687 -7.037 8.037 444 HD2 ARG 76 1HD ARG 76 -2.778 -8.444 9.662 445 HD3 ARG 76 2HD ARG 76 -3.460 -7.036 10.474 446 HE ARG 76 HE ARG 76 -4.317 -8.179 7.924 447 HH11 ARG 76 1HH1 ARG 76 -4.674 -5.677 10.351 448 HH12 ARG 76 2HH1 ARG 76 -6.272 -5.233 9.842 449 HH21 ARG 76 1HH2 ARG 76 -6.429 -7.594 7.254 450 HH22 ARG 76 2HH2 ARG 76 -7.273 -6.327 8.089 451 H SER 77 H SER 77 2.384 -6.133 10.009 452 HA SER 77 HA SER 77 3.749 -5.463 7.732 453 HB2 SER 77 1HB SER 77 4.209 -7.863 9.507 454 HB3 SER 77 2HB SER 77 5.396 -7.162 8.405 455 HG SER 77 HG SER 77 4.419 -5.202 9.914 456 H ILE 78 H ILE 78 4.330 -6.431 5.814 457 HA ILE 78 HA ILE 78 2.296 -8.197 4.714 458 HB ILE 78 HB ILE 78 3.065 -7.695 2.591 459 HG12 ILE 78 1HG1 ILE 78 5.437 -8.353 2.987 460 HG13 ILE 78 2HG1 ILE 78 5.253 -6.949 1.948 461 HG21 ILE 78 1HG2 ILE 78 2.153 -5.690 3.382 462 HG22 ILE 78 2HG2 ILE 78 3.641 -5.227 2.562 463 HG23 ILE 78 3HG2 ILE 78 3.593 -5.308 4.323 464 HD11 ILE 78 3HD1 ILE 78 5.806 -5.502 3.844 465 HD12 ILE 78 1HD1 ILE 78 7.095 -6.648 3.477 466 HD13 ILE 78 2HD1 ILE 78 6.027 -6.928 4.854 467 H LYS 79 H LYS 79 5.319 -8.465 6.127 468 HA LYS 79 HA LYS 79 6.633 -10.338 4.529 469 HB2 LYS 79 1HB LYS 79 7.801 -8.958 6.113 470 HB3 LYS 79 2HB LYS 79 6.901 -9.650 7.451 471 HG2 LYS 79 1HG LYS 79 7.987 -11.794 7.102 472 HG3 LYS 79 2HG LYS 79 8.838 -11.153 5.698 473 HD2 LYS 79 1HD LYS 79 10.284 -11.201 7.668 474 HD3 LYS 79 2HD LYS 79 10.001 -9.548 7.123 475 HE2 LYS 79 1HE LYS 79 9.872 -9.714 9.556 476 HE3 LYS 79 2HE LYS 79 8.319 -9.250 8.864 477 HZ1 LYS 79 3HZ LYS 79 9.065 -11.990 9.736 478 HZ2 LYS 79 1HZ LYS 79 7.567 -11.530 9.103 479 HZ3 LYS 79 2HZ LYS 79 8.076 -10.922 10.595 480 H GLY 80 H GLY 80 4.163 -10.742 6.933 481 HA2 GLY 80 1HA GLY 80 4.617 -13.517 7.415 482 HA3 GLY 80 2HA GLY 80 3.161 -12.617 7.811 483 H LYS 81 H LYS 81 3.265 -11.831 4.762 484 HA LYS 81 HA LYS 81 1.798 -14.240 3.897 485 HB2 LYS 81 1HB LYS 81 1.580 -11.415 2.819 486 HB3 LYS 81 2HB LYS 81 0.614 -12.787 2.309 487 HG2 LYS 81 1HG LYS 81 -0.749 -11.482 3.665 488 HG3 LYS 81 2HG LYS 81 -0.267 -12.852 4.677 489 HD2 LYS 81 1HD LYS 81 1.566 -11.416 5.572 490 HD3 LYS 81 2HD LYS 81 0.857 -10.058 4.703 491 HE2 LYS 81 1HE LYS 81 -1.087 -10.077 6.013 492 HE3 LYS 81 2HE LYS 81 -0.773 -11.700 6.615 493 HZ1 LYS 81 3HZ LYS 81 -0.354 -9.928 8.257 494 HZ2 LYS 81 1HZ LYS 81 0.892 -9.330 7.280 495 HZ3 LYS 81 2HZ LYS 81 1.010 -10.880 7.953 496 H THR 82 H THR 82 2.103 -12.248 1.409 497 HA THR 82 HA THR 82 4.715 -12.329 0.481 498 HB THR 82 HB THR 82 4.419 -14.788 0.341 499 HG1 THR 82 HG1 THR 82 5.787 -14.195 -1.211 500 HG21 THR 82 3HG2 THR 82 2.878 -15.707 -1.366 501 HG22 THR 82 1HG2 THR 82 2.182 -14.100 -1.560 502 HG23 THR 82 2HG2 THR 82 2.039 -14.942 -0.015 503 H LYS 83 H LYS 83 4.683 -11.897 -1.952 504 HA LYS 83 HA LYS 83 3.428 -9.486 -2.293 505 HB2 LYS 83 1HB LYS 83 3.925 -10.875 -4.822 506 HB3 LYS 83 2HB LYS 83 4.635 -9.394 -4.193 507 HG2 LYS 83 1HG LYS 83 6.010 -10.858 -2.683 508 HG3 LYS 83 2HG LYS 83 5.466 -12.222 -3.638 509 HD2 LYS 83 1HD LYS 83 7.590 -11.555 -4.486 510 HD3 LYS 83 2HD LYS 83 6.373 -11.050 -5.659 511 HE2 LYS 83 1HE LYS 83 6.508 -8.789 -4.960 512 HE3 LYS 83 2HE LYS 83 7.443 -9.219 -3.527 513 HZ1 LYS 83 3HZ LYS 83 8.368 -9.481 -6.335 514 HZ2 LYS 83 1HZ LYS 83 9.260 -9.892 -4.957 515 HZ3 LYS 83 2HZ LYS 83 8.845 -8.279 -5.247 516 H VAL 84 H VAL 84 2.464 -12.544 -3.838 517 HA VAL 84 HA VAL 84 0.245 -11.497 -5.152 518 HB VAL 84 HB VAL 84 1.280 -13.612 -5.771 519 HG11 VAL 84 1HG1 VAL 84 0.072 -14.705 -3.238 520 HG12 VAL 84 2HG1 VAL 84 1.790 -14.458 -3.540 521 HG13 VAL 84 3HG1 VAL 84 0.891 -15.644 -4.487 522 HG21 VAL 84 3HG2 VAL 84 -0.767 -14.895 -6.113 523 HG22 VAL 84 1HG2 VAL 84 -0.968 -13.180 -6.465 524 HG23 VAL 84 2HG2 VAL 84 -1.584 -13.846 -4.955 525 H GLU 85 H GLU 85 0.555 -12.908 -1.949 526 HA GLU 85 HA GLU 85 -2.239 -13.022 -1.433 527 HB2 GLU 85 1HB GLU 85 0.140 -13.214 0.410 528 HB3 GLU 85 2HB GLU 85 -1.519 -13.522 0.903 529 HG2 GLU 85 1HG GLU 85 -1.532 -15.241 -1.008 530 HG3 GLU 85 2HG GLU 85 0.219 -15.087 -0.957 531 H VAL 86 H VAL 86 0.325 -10.760 -0.478 532 HA VAL 86 HA VAL 86 -1.172 -9.200 1.270 533 HB VAL 86 HB VAL 86 0.420 -7.416 0.903 534 HG11 VAL 86 1HG1 VAL 86 1.504 -10.202 1.078 535 HG12 VAL 86 2HG1 VAL 86 1.244 -9.037 2.381 536 HG13 VAL 86 3HG1 VAL 86 2.554 -8.798 1.220 537 HG21 VAL 86 3HG2 VAL 86 1.461 -9.055 -1.379 538 HG22 VAL 86 1HG2 VAL 86 2.238 -7.622 -0.709 539 HG23 VAL 86 2HG2 VAL 86 0.663 -7.486 -1.490 540 H ALA 87 H ALA 87 -0.758 -8.797 -2.233 541 HA ALA 87 HA ALA 87 -2.341 -6.562 -2.674 542 HB1 ALA 87 3HB ALA 87 -2.709 -7.359 -4.903 543 HB2 ALA 87 1HB ALA 87 -2.287 -9.009 -4.432 544 HB3 ALA 87 2HB ALA 87 -1.057 -7.746 -4.420 545 H LYS 88 H LYS 88 -3.386 -9.958 -2.316 546 HA LYS 88 HA LYS 88 -6.149 -9.448 -2.644 547 HB2 LYS 88 1HB LYS 88 -5.340 -11.715 -2.757 548 HB3 LYS 88 2HB LYS 88 -4.800 -11.638 -1.084 549 HG2 LYS 88 1HG LYS 88 -7.038 -11.447 -0.307 550 HG3 LYS 88 2HG LYS 88 -7.644 -11.274 -1.943 551 HD2 LYS 88 1HD LYS 88 -8.069 -13.508 -1.176 552 HD3 LYS 88 2HD LYS 88 -6.851 -13.516 -2.457 553 HE2 LYS 88 1HE LYS 88 -5.095 -13.672 -0.814 554 HE3 LYS 88 2HE LYS 88 -6.269 -13.614 0.493 555 HZ1 LYS 88 3HZ LYS 88 -7.206 -15.696 -0.314 556 HZ2 LYS 88 1HZ LYS 88 -5.569 -15.877 0.068 557 HZ3 LYS 88 2HZ LYS 88 -6.050 -15.760 -1.546 558 H MET 89 H MET 89 -4.135 -9.767 0.267 559 HA MET 89 HA MET 89 -5.990 -9.336 2.226 560 HB2 MET 89 1HB MET 89 -3.168 -8.387 2.077 561 HB3 MET 89 2HB MET 89 -4.136 -8.377 3.546 562 HG2 MET 89 1HG MET 89 -3.385 -10.777 1.908 563 HG3 MET 89 2HG MET 89 -2.756 -10.319 3.470 564 HE1 MET 89 3HE MET 89 -4.876 -13.538 4.232 565 HE2 MET 89 1HE MET 89 -3.271 -12.808 4.309 566 HE3 MET 89 2HE MET 89 -3.983 -13.212 2.746 567 H ILE 90 H ILE 90 -4.163 -6.918 0.433 568 HA ILE 90 HA ILE 90 -5.300 -4.613 1.518 569 HB ILE 90 HB ILE 90 -4.088 -5.209 -1.170 570 HG12 ILE 90 1HG1 ILE 90 -2.636 -5.198 0.841 571 HG13 ILE 90 2HG1 ILE 90 -2.201 -3.953 -0.324 572 HG21 ILE 90 1HG2 ILE 90 -4.110 -2.911 -1.767 573 HG22 ILE 90 2HG2 ILE 90 -4.830 -2.452 -0.217 574 HG23 ILE 90 3HG2 ILE 90 -5.770 -3.380 -1.387 575 HD11 ILE 90 3HD1 ILE 90 -3.749 -3.551 2.227 576 HD12 ILE 90 1HD1 ILE 90 -3.380 -2.292 1.050 577 HD13 ILE 90 2HD1 ILE 90 -2.074 -3.090 1.925 578 H GLN 91 H GLN 91 -6.225 -6.333 -1.496 579 HA GLN 91 HA GLN 91 -8.395 -4.623 -2.053 580 HB2 GLN 91 1HB GLN 91 -7.723 -7.396 -3.013 581 HB3 GLN 91 2HB GLN 91 -9.056 -6.447 -3.640 582 HG2 GLN 91 1HG GLN 91 -7.463 -4.697 -4.319 583 HG3 GLN 91 2HG GLN 91 -6.143 -5.724 -3.761 584 HE21 GLN 91 2HE2 GLN 91 -5.233 -5.843 -5.812 585 HE22 GLN 91 1HE2 GLN 91 -5.940 -6.782 -7.078 586 H GLU 92 H GLU 92 -8.113 -7.374 0.016 587 HA GLU 92 HA GLU 92 -10.767 -8.286 0.016 588 HB2 GLU 92 1HB GLU 92 -9.120 -9.690 0.945 589 HB3 GLU 92 2HB GLU 92 -8.533 -8.444 2.022 590 HG2 GLU 92 1HG GLU 92 -10.557 -8.566 3.327 591 HG3 GLU 92 2HG GLU 92 -11.233 -9.741 2.206 592 H VAL 93 H VAL 93 -9.100 -6.033 2.130 593 HA VAL 93 HA VAL 93 -11.424 -5.329 3.630 594 HB VAL 93 HB VAL 93 -10.080 -3.618 4.673 595 HG11 VAL 93 1HG1 VAL 93 -9.659 -5.901 5.372 596 HG12 VAL 93 2HG1 VAL 93 -8.162 -4.967 5.422 597 HG13 VAL 93 3HG1 VAL 93 -8.457 -6.092 4.093 598 HG21 VAL 93 3HG2 VAL 93 -9.021 -2.731 2.612 599 HG22 VAL 93 1HG2 VAL 93 -7.958 -4.143 2.592 600 HG23 VAL 93 2HG2 VAL 93 -7.869 -2.995 3.930 601 H LYS 94 H LYS 94 -12.467 -5.172 1.346 602 HA LYS 94 HA LYS 94 -12.130 -3.230 -0.501 603 HB2 LYS 94 1HB LYS 94 -14.588 -3.403 -0.928 604 HB3 LYS 94 2HB LYS 94 -13.752 -4.945 -0.833 605 HG2 LYS 94 1HG LYS 94 -14.570 -5.285 1.423 606 HG3 LYS 94 2HG LYS 94 -15.346 -3.700 1.401 607 HD2 LYS 94 1HD LYS 94 -16.006 -5.940 -0.508 608 HD3 LYS 94 2HD LYS 94 -16.898 -5.608 0.977 609 HE2 LYS 94 1HE LYS 94 -16.557 -3.720 -1.350 610 HE3 LYS 94 2HE LYS 94 -18.011 -4.636 -0.968 611 HZ1 LYS 94 3HZ LYS 94 -18.157 -3.433 1.134 612 HZ2 LYS 94 1HZ LYS 94 -18.194 -2.374 -0.183 613 HZ3 LYS 94 2HZ LYS 94 -16.784 -2.533 0.731 614 H GLY 95 H GLY 95 -12.254 -1.103 -0.624 615 HA2 GLY 95 1HA GLY 95 -13.748 0.795 -0.477 616 HA3 GLY 95 2HA GLY 95 -14.198 0.244 1.128 617 H GLU 96 H GLU 96 -11.392 -0.295 1.914 618 HA GLU 96 HA GLU 96 -10.558 2.494 2.187 619 HB2 GLU 96 1HB GLU 96 -10.322 2.267 4.571 620 HB3 GLU 96 2HB GLU 96 -11.971 1.869 4.114 621 HG2 GLU 96 1HG GLU 96 -11.457 -0.485 4.232 622 HG3 GLU 96 2HG GLU 96 -9.801 -0.125 4.667 623 H VAL 97 H VAL 97 -8.479 2.391 3.674 624 HA VAL 97 HA VAL 97 -6.611 0.394 2.743 625 HB VAL 97 HB VAL 97 -6.725 3.238 1.776 626 HG11 VAL 97 1HG1 VAL 97 -4.327 1.448 1.679 627 HG12 VAL 97 2HG1 VAL 97 -4.514 2.882 2.689 628 HG13 VAL 97 3HG1 VAL 97 -4.487 3.038 0.932 629 HG21 VAL 97 3HG2 VAL 97 -7.789 1.459 0.469 630 HG22 VAL 97 1HG2 VAL 97 -6.226 0.655 0.321 631 HG23 VAL 97 2HG2 VAL 97 -6.470 2.250 -0.396 632 H THR 98 H THR 98 -5.007 0.143 4.235 633 HA THR 98 HA THR 98 -4.286 2.449 5.907 634 HB THR 98 HB THR 98 -4.507 -0.399 6.914 635 HG1 THR 98 HG1 THR 98 -6.081 1.600 8.025 636 HG21 THR 98 3HG2 THR 98 -2.752 0.875 8.036 637 HG22 THR 98 1HG2 THR 98 -4.116 0.609 9.123 638 HG23 THR 98 2HG2 THR 98 -3.890 2.182 8.357 639 H ILE 99 H ILE 99 -2.200 2.944 5.542 640 HA ILE 99 HA ILE 99 -0.458 0.789 4.566 641 HB ILE 99 HB ILE 99 1.065 2.800 3.894 642 HG12 ILE 99 1HG1 ILE 99 -0.438 4.562 4.817 643 HG13 ILE 99 2HG1 ILE 99 -0.019 4.759 3.122 644 HG21 ILE 99 1HG2 ILE 99 -1.338 1.941 2.291 645 HG22 ILE 99 2HG2 ILE 99 0.233 1.141 2.355 646 HG23 ILE 99 3HG2 ILE 99 0.088 2.743 1.633 647 HD11 ILE 99 3HD1 ILE 99 -2.142 4.368 2.399 648 HD12 ILE 99 1HD1 ILE 99 -2.440 5.149 3.953 649 HD13 ILE 99 2HD1 ILE 99 -2.564 3.396 3.808 650 H HIS 100 H HIS 100 1.064 0.101 5.785 651 HA HIS 100 HA HIS 100 2.166 1.889 7.847 652 HB2 HIS 100 1HB HIS 100 1.537 -1.002 7.827 653 HB3 HIS 100 2HB HIS 100 3.081 -0.567 8.546 654 HD1 HIS 100 HD1 HIS 100 -0.238 1.286 8.877 655 HD2 HIS 100 HD2 HIS 100 2.575 -0.724 11.184 656 HE1 HIS 100 HE1 HIS 100 -0.978 1.583 11.259 657 HE2 HIS 100 HE2 HIS 100 0.642 0.215 12.618 658 H TYR 101 H TYR 101 3.883 2.807 6.903 659 HA TYR 101 HA TYR 101 5.896 0.968 5.823 660 HB2 TYR 101 1HB TYR 101 6.515 2.531 4.097 661 HB3 TYR 101 2HB TYR 101 4.794 2.200 3.971 662 HD1 TYR 101 HD1 TYR 101 3.153 3.933 4.510 663 HD2 TYR 101 HD2 TYR 101 7.330 4.716 4.685 664 HE1 TYR 101 HE1 TYR 101 2.697 6.348 4.511 665 HE2 TYR 101 HE2 TYR 101 6.883 7.131 4.693 666 HH TYR 101 HH TYR 101 5.065 8.662 3.937 667 H ASN 102 H ASN 102 8.089 1.935 5.841 668 HA ASN 102 HA ASN 102 8.455 3.813 8.061 669 HB2 ASN 102 1HB ASN 102 9.613 1.034 7.842 670 HB3 ASN 102 2HB ASN 102 10.361 2.275 8.840 671 HD21 ASN 102 2HD2 ASN 102 7.573 0.231 8.429 672 HD22 ASN 102 1HD2 ASN 102 6.967 0.413 10.034 673 H LYS 103 H LYS 103 10.665 4.655 8.145 674 HA LYS 103 HA LYS 103 11.787 5.032 5.505 675 HB2 LYS 103 1HB LYS 103 12.645 6.229 8.135 676 HB3 LYS 103 2HB LYS 103 12.906 6.878 6.518 677 HG2 LYS 103 1HG LYS 103 10.137 6.516 7.581 678 HG3 LYS 103 2HG LYS 103 11.099 7.921 8.040 679 HD2 LYS 103 1HD LYS 103 9.953 8.685 6.212 680 HD3 LYS 103 2HD LYS 103 11.479 8.178 5.511 681 HE2 LYS 103 1HE LYS 103 10.365 6.021 4.890 682 HE3 LYS 103 2HE LYS 103 8.841 6.726 5.419 683 HZ1 LYS 103 3HZ LYS 103 8.953 7.082 3.116 684 HZ2 LYS 103 1HZ LYS 103 10.568 7.595 3.183 685 HZ3 LYS 103 2HZ LYS 103 9.346 8.577 3.812 686 H LEU 104 H LEU 104 14.141 4.985 5.302 687 HA LEU 104 HA LEU 104 16.142 4.025 5.333 688 HB2 LEU 104 1HB LEU 104 17.121 3.483 7.644 689 HB3 LEU 104 2HB LEU 104 16.793 5.149 7.185 690 HG LEU 104 HG LEU 104 14.470 4.429 8.448 691 HD11 LEU 104 1HD1 LEU 104 15.159 2.367 9.235 692 HD12 LEU 104 2HD1 LEU 104 15.358 3.455 10.613 693 HD13 LEU 104 3HD1 LEU 104 16.761 2.957 9.668 694 HD21 LEU 104 3HD2 LEU 104 15.268 5.787 10.296 695 HD22 LEU 104 1HD2 LEU 104 15.680 6.516 8.746 696 HD23 LEU 104 2HD2 LEU 104 16.919 5.676 9.682 697 H GLN 105 H GLN 105 14.327 2.005 7.690 698 HA GLN 105 HA GLN 105 14.591 -0.210 8.181 699 HB2 GLN 105 1HB GLN 105 14.491 -0.083 5.228 700 HB3 GLN 105 2HB GLN 105 15.207 -1.547 5.880 701 HG2 GLN 105 1HG GLN 105 12.850 -1.862 5.455 702 HG3 GLN 105 2HG GLN 105 13.189 -1.971 7.178 703 HE21 GLN 105 2HE2 GLN 105 13.067 1.083 5.518 704 HE22 GLN 105 1HE2 GLN 105 11.585 1.628 6.214 705 H ALA 106 H ALA 106 16.605 1.007 9.032 706 HA ALA 106 HA ALA 106 18.785 0.941 9.628 707 HB1 ALA 106 3HB ALA 106 18.577 -1.501 9.510 708 HB2 ALA 106 1HB ALA 106 20.177 -0.943 9.020 709 HB3 ALA 106 2HB ALA 106 19.004 -1.439 7.800 710 H ASP 107 H ASP 107 20.934 0.053 7.712 711 HA ASP 107 HA ASP 107 20.746 2.292 5.794 712 HB2 ASP 107 1HB ASP 107 23.032 1.715 7.694 713 HB3 ASP 107 2HB ASP 107 23.192 2.760 6.288 714 HA PRO 108 HA PRO 108 21.852 -0.237 2.438 715 HB2 PRO 108 1HB PRO 108 24.555 1.062 2.554 716 HB3 PRO 108 2HB PRO 108 23.569 0.661 1.145 717 HG2 PRO 108 1HG PRO 108 23.596 3.140 2.162 718 HG3 PRO 108 2HG PRO 108 22.125 2.432 1.476 719 HD2 PRO 108 1HD PRO 108 22.756 3.059 4.273 720 HD3 PRO 108 2HD PRO 108 21.183 2.734 3.522 721 H LYS 109 H LYS 109 24.837 0.056 4.397 722 HA LYS 109 HA LYS 109 25.855 -2.497 3.910 723 HB2 LYS 109 1HB LYS 109 27.133 -2.174 6.008 724 HB3 LYS 109 2HB LYS 109 27.216 -0.786 4.934 725 HG2 LYS 109 1HG LYS 109 25.675 0.430 6.301 726 HG3 LYS 109 2HG LYS 109 25.332 -0.998 7.278 727 HD2 LYS 109 1HD LYS 109 26.800 0.380 8.544 728 HD3 LYS 109 2HD LYS 109 27.751 -0.981 7.960 729 HE2 LYS 109 1HE LYS 109 27.681 1.634 6.488 730 HE3 LYS 109 2HE LYS 109 28.779 1.370 7.836 731 HZ1 LYS 109 3HZ LYS 109 28.703 -0.150 5.285 732 HZ2 LYS 109 1HZ LYS 109 29.668 -0.567 6.611 733 HZ3 LYS 109 2HZ LYS 109 29.915 0.900 5.811 734 H GLN 110 H GLN 110 23.729 -1.381 6.417 735 HA GLN 110 HA GLN 110 23.581 -3.876 7.829 736 HB2 GLN 110 1HB GLN 110 22.349 -1.162 8.099 737 HB3 GLN 110 2HB GLN 110 21.814 -2.493 9.096 738 HG2 GLN 110 1HG GLN 110 23.953 -2.701 10.059 739 HG3 GLN 110 2HG GLN 110 24.639 -1.549 8.935 740 HE21 GLN 110 2HE2 GLN 110 22.445 0.299 9.096 741 HE22 GLN 110 1HE2 GLN 110 22.546 1.065 10.639 742 H LEU 111 H LEU 111 21.901 -2.180 5.393 743 HA LEU 111 HA LEU 111 19.317 -3.268 5.747 744 HB2 LEU 111 1HB LEU 111 19.777 -1.127 4.642 745 HB3 LEU 111 2HB LEU 111 20.641 -1.954 3.368 746 HG LEU 111 HG LEU 111 18.279 -1.130 2.860 747 HD11 LEU 111 1HD1 LEU 111 19.463 -2.678 1.412 748 HD12 LEU 111 2HD1 LEU 111 17.745 -3.077 1.493 749 HD13 LEU 111 3HD1 LEU 111 18.920 -4.033 2.398 750 HD21 LEU 111 3HD2 LEU 111 16.437 -2.508 3.563 751 HD22 LEU 111 1HD2 LEU 111 17.298 -1.910 4.983 752 HD23 LEU 111 2HD2 LEU 111 17.528 -3.576 4.447 753 H GLU 112 H GLU 112 21.983 -3.953 3.500 754 HA GLU 112 HA GLU 112 20.744 -6.128 2.196 755 HB2 GLU 112 1HB GLU 112 23.083 -6.726 1.533 756 HB3 GLU 112 2HB GLU 112 22.642 -5.055 1.188 757 HG2 GLU 112 1HG GLU 112 23.921 -4.228 2.942 758 HG3 GLU 112 2HG GLU 112 24.023 -5.808 3.723 759 H VAL 113 H VAL 113 22.609 -5.858 5.146 760 HA VAL 113 HA VAL 113 23.004 -8.607 5.650 761 HB VAL 113 HB VAL 113 22.761 -6.266 7.551 762 HG11 VAL 113 1HG1 VAL 113 23.679 -9.077 8.138 763 HG12 VAL 113 2HG1 VAL 113 22.211 -8.311 8.746 764 HG13 VAL 113 3HG1 VAL 113 23.791 -7.705 9.242 765 HG21 VAL 113 3HG2 VAL 113 25.154 -7.779 6.522 766 HG22 VAL 113 1HG2 VAL 113 25.192 -6.444 7.673 767 HG23 VAL 113 2HG2 VAL 113 24.651 -6.165 6.017 768 H LEU 114 H LEU 114 20.425 -6.356 6.438 769 HA LEU 114 HA LEU 114 18.793 -8.222 7.843 770 HB2 LEU 114 1HB LEU 114 18.598 -5.769 8.072 771 HB3 LEU 114 2HB LEU 114 18.051 -5.665 6.415 772 HG LEU 114 HG LEU 114 16.045 -6.991 7.014 773 HD11 LEU 114 1HD1 LEU 114 15.506 -7.302 9.387 774 HD12 LEU 114 2HD1 LEU 114 17.113 -6.719 9.820 775 HD13 LEU 114 3HD1 LEU 114 16.936 -8.217 8.908 776 HD21 LEU 114 3HD2 LEU 114 15.963 -4.553 6.987 777 HD22 LEU 114 1HD2 LEU 114 16.482 -4.510 8.673 778 HD23 LEU 114 2HD2 LEU 114 14.919 -5.210 8.249 779 H PHE 115 H PHE 115 19.233 -7.269 4.535 780 HA PHE 115 HA PHE 115 16.875 -8.608 3.544 781 HB2 PHE 115 1HB PHE 115 17.933 -6.564 2.518 782 HB3 PHE 115 2HB PHE 115 19.266 -7.585 2.000 783 HD1 PHE 115 HD2 PHE 115 15.544 -7.453 1.800 784 HD2 PHE 115 HD1 PHE 115 19.206 -8.414 -0.144 785 HE1 PHE 115 HE2 PHE 115 14.307 -7.982 -0.259 786 HE2 PHE 115 HE1 PHE 115 17.975 -8.942 -2.208 787 HZ PHE 115 HZ PHE 115 15.522 -8.727 -2.267 788 H GLN 116 H GLN 116 19.926 -9.551 4.515 789 HA GLN 116 HA GLN 116 20.935 -11.564 4.672 790 HB2 GLN 116 1HB GLN 116 18.799 -12.657 4.862 791 HB3 GLN 116 2HB GLN 116 18.542 -12.559 3.126 792 HG2 GLN 116 1HG GLN 116 20.432 -14.072 2.767 793 HG3 GLN 116 2HG GLN 116 20.662 -14.185 4.510 794 HE21 GLN 116 2HE2 GLN 116 18.650 -15.053 1.824 795 HE22 GLN 116 1HE2 GLN 116 17.721 -16.258 2.645 796 H GLY 117 H GLY 117 19.504 -11.583 1.402 797 HA2 GLY 117 1HA GLY 117 21.029 -10.995 -0.474 798 HA3 GLY 117 2HA GLY 117 22.242 -11.969 0.353 799 HA PRO 118 HA PRO 118 18.599 -15.060 -0.668 800 HB2 PRO 118 1HB PRO 118 17.031 -14.107 -2.749 801 HB3 PRO 118 2HB PRO 118 16.579 -14.119 -1.049 802 HG2 PRO 118 1HG PRO 118 17.744 -11.916 -2.698 803 HG3 PRO 118 2HG PRO 118 16.464 -11.843 -1.467 804 HD2 PRO 118 1HD PRO 118 18.915 -11.057 -0.861 805 HD3 PRO 118 2HD PRO 118 17.984 -12.042 0.290 806 H GLN 119 H GLN 119 19.271 -16.700 -1.896 807 HA GLN 119 HA GLN 119 20.620 -16.148 -4.435 808 HB2 GLN 119 1HB GLN 119 21.280 -18.536 -4.346 809 HB3 GLN 119 2HB GLN 119 21.802 -17.639 -2.927 810 HG2 GLN 119 1HG GLN 119 19.916 -18.549 -1.663 811 HG3 GLN 119 2HG GLN 119 19.407 -19.455 -3.085 812 HE21 GLN 119 2HE2 GLN 119 22.145 -20.080 -3.880 813 HE22 GLN 119 1HE2 GLN 119 22.692 -21.298 -2.785 814 H PHE 120 H PHE 120 17.607 -16.487 -3.459 815 HA PHE 120 HA PHE 120 16.734 -17.803 -5.945 816 HB2 PHE 120 1HB PHE 120 16.228 -19.175 -3.939 817 HB3 PHE 120 2HB PHE 120 15.342 -17.825 -3.249 818 HD1 PHE 120 HD1 PHE 120 15.384 -20.051 -6.232 819 HD2 PHE 120 HD2 PHE 120 13.069 -17.674 -3.573 820 HE1 PHE 120 HE1 PHE 120 13.324 -20.880 -7.290 821 HE2 PHE 120 HE2 PHE 120 11.003 -18.497 -4.624 822 HZ PHE 120 HZ PHE 120 11.129 -20.104 -6.487 823 H THR 121 H THR 121 16.771 -15.737 -6.952 824 HA THR 121 HA THR 121 14.813 -13.800 -5.910 825 HB THR 121 HB THR 121 17.186 -13.190 -7.676 826 HG1 THR 121 HG1 THR 121 17.249 -13.829 -5.155 827 HG21 THR 121 3HG2 THR 121 15.336 -11.587 -7.848 828 HG22 THR 121 1HG2 THR 121 16.735 -10.867 -7.050 829 HG23 THR 121 2HG2 THR 121 15.346 -11.387 -6.097 830 H LEU 122 H LEU 122 12.987 -14.054 -7.030 831 HA LEU 122 HA LEU 122 13.150 -14.200 -9.968 832 HB2 LEU 122 1HB LEU 122 10.908 -14.889 -8.062 833 HB3 LEU 122 2HB LEU 122 10.685 -14.772 -9.794 834 HG LEU 122 HG LEU 122 12.397 -16.601 -10.049 835 HD11 LEU 122 1HD1 LEU 122 12.860 -18.005 -8.116 836 HD12 LEU 122 2HD1 LEU 122 12.012 -16.861 -7.077 837 HD13 LEU 122 3HD1 LEU 122 13.499 -16.377 -7.892 838 HD21 LEU 122 3HD2 LEU 122 9.916 -17.250 -8.472 839 HD22 LEU 122 1HD2 LEU 122 10.835 -18.378 -9.467 840 HD23 LEU 122 2HD2 LEU 122 10.001 -17.018 -10.217 841 H ARG 123 H ARG 123 12.714 -12.360 -11.058 842 HA ARG 123 HA ARG 123 11.837 -10.064 -9.543 843 HB2 ARG 123 1HB ARG 123 13.632 -9.848 -11.222 844 HB3 ARG 123 2HB ARG 123 12.488 -10.278 -12.488 845 HG2 ARG 123 1HG ARG 123 11.180 -8.286 -12.014 846 HG3 ARG 123 2HG ARG 123 12.276 -7.863 -10.699 847 HD2 ARG 123 1HD ARG 123 14.111 -7.644 -12.291 848 HD3 ARG 123 2HD ARG 123 13.031 -8.096 -13.608 849 HE ARG 123 HE ARG 123 11.760 -5.978 -12.601 850 HH11 ARG 123 1HH1 ARG 123 15.139 -6.440 -13.373 851 HH12 ARG 123 2HH1 ARG 123 15.413 -4.775 -13.768 852 HH21 ARG 123 1HH2 ARG 123 12.104 -3.789 -13.142 853 HH22 ARG 123 2HH2 ARG 123 13.683 -3.266 -13.638 854 H HIS 124 H HIS 124 9.730 -10.538 -8.998 855 HA HIS 124 HA HIS 124 7.864 -9.852 -11.118 856 HB2 HIS 124 1HB HIS 124 6.264 -11.593 -10.558 857 HB3 HIS 124 2HB HIS 124 7.790 -12.328 -11.017 858 HD1 HIS 124 HD1 HIS 124 5.257 -12.362 -8.431 859 HD2 HIS 124 HD2 HIS 124 9.302 -13.282 -8.674 860 HE1 HIS 124 HE1 HIS 124 5.754 -13.768 -6.410 861 HE2 HIS 124 HE2 HIS 124 8.146 -14.484 -6.694 862 H TRP 125 H TRP 125 6.582 -8.281 -10.455 863 HA TRP 125 HA TRP 125 6.445 -7.786 -7.561 864 HB2 TRP 125 1HB TRP 125 6.358 -5.375 -8.101 865 HB3 TRP 125 2HB TRP 125 7.848 -6.129 -8.651 866 HD1 TRP 125 HD1 TRP 125 4.888 -4.170 -9.866 867 HE1 TRP 125 HE1 TRP 125 5.118 -3.725 -12.390 868 HE3 TRP 125 HE3 TRP 125 8.788 -7.315 -10.899 869 HZ2 TRP 125 HZ2 TRP 125 6.728 -4.594 -14.532 870 HZ3 TRP 125 HZ3 TRP 125 9.609 -7.448 -13.214 871 HH2 TRP 125 HH2 TRP 125 8.598 -6.117 -14.990 872 H LEU 126 H LEU 126 4.554 -6.919 -6.714 873 HA LEU 126 HA LEU 126 2.168 -7.729 -8.177 874 HB2 LEU 126 1HB LEU 126 1.039 -7.698 -6.094 875 HB3 LEU 126 2HB LEU 126 2.607 -8.417 -5.791 876 HG LEU 126 HG LEU 126 3.110 -5.804 -5.244 877 HD11 LEU 126 1HD1 LEU 126 1.311 -4.945 -3.873 878 HD12 LEU 126 2HD1 LEU 126 0.316 -6.344 -4.266 879 HD13 LEU 126 3HD1 LEU 126 0.753 -5.194 -5.528 880 HD21 LEU 126 3HD2 LEU 126 2.164 -8.024 -3.464 881 HD22 LEU 126 1HD2 LEU 126 2.841 -6.514 -2.856 882 HD23 LEU 126 2HD2 LEU 126 3.825 -7.581 -3.856 883 H LYS 127 H LYS 127 0.210 -6.262 -7.748 884 HA LYS 127 HA LYS 127 0.864 -3.446 -7.904 885 HB2 LYS 127 1HB LYS 127 -0.473 -3.219 -10.032 886 HB3 LYS 127 2HB LYS 127 1.088 -4.007 -10.211 887 HG2 LYS 127 1HG LYS 127 0.007 -6.181 -10.280 888 HG3 LYS 127 2HG LYS 127 -1.565 -5.424 -10.026 889 HD2 LYS 127 1HD LYS 127 -1.293 -4.197 -12.141 890 HD3 LYS 127 2HD LYS 127 0.254 -5.006 -12.397 891 HE2 LYS 127 1HE LYS 127 -1.490 -6.109 -13.672 892 HE3 LYS 127 2HE LYS 127 -0.897 -7.176 -12.400 893 HZ1 LYS 127 3HZ LYS 127 -2.826 -6.628 -11.070 894 HZ2 LYS 127 1HZ LYS 127 -3.315 -7.212 -12.578 895 HZ3 LYS 127 2HZ LYS 127 -3.381 -5.557 -12.251 896 H VAL 128 H VAL 128 -0.338 -3.046 -6.095 897 HA VAL 128 HA VAL 128 -3.205 -3.375 -6.481 898 HB VAL 128 HB VAL 128 -2.476 -5.008 -4.791 899 HG11 VAL 128 1HG1 VAL 128 -0.644 -3.800 -3.778 900 HG12 VAL 128 2HG1 VAL 128 -1.826 -4.321 -2.577 901 HG13 VAL 128 3HG1 VAL 128 -1.785 -2.633 -3.104 902 HG21 VAL 128 3HG2 VAL 128 -4.202 -4.481 -3.177 903 HG22 VAL 128 1HG2 VAL 128 -4.724 -4.193 -4.834 904 HG23 VAL 128 2HG2 VAL 128 -4.274 -2.832 -3.806 Start of MODEL 19 1 H1 GLY 13 1H GLY 13 10.058 -10.643 21.467 2 H2 GLY 13 2H GLY 13 10.586 -9.111 21.944 3 H3 GLY 13 3H GLY 13 11.609 -10.443 22.111 4 HA2 GLY 13 1HA GLY 13 12.263 -9.108 20.219 5 HA3 GLY 13 2HA GLY 13 11.732 -10.709 19.728 6 H SER 14 H SER 14 11.719 -7.845 18.541 7 HA SER 14 HA SER 14 9.092 -8.141 17.306 8 HB2 SER 14 1HB SER 14 10.085 -5.521 18.463 9 HB3 SER 14 2HB SER 14 8.588 -5.750 17.562 10 HG SER 14 HG SER 14 9.216 -7.057 20.005 11 HA PRO 15 HA PRO 15 11.168 -7.054 13.482 12 HB2 PRO 15 1HB PRO 15 9.090 -4.925 13.198 13 HB3 PRO 15 2HB PRO 15 9.608 -6.148 12.033 14 HG2 PRO 15 1HG PRO 15 7.308 -6.427 13.331 15 HG3 PRO 15 2HG PRO 15 8.356 -7.828 13.041 16 HD2 PRO 15 1HD PRO 15 7.912 -6.283 15.554 17 HD3 PRO 15 2HD PRO 15 8.195 -8.021 15.332 18 H GLY 16 H GLY 16 9.875 -4.251 15.277 19 HA2 GLY 16 1HA GLY 16 10.949 -2.411 16.137 20 HA3 GLY 16 2HA GLY 16 12.467 -3.256 15.874 21 H ILE 17 H ILE 17 9.915 -1.570 14.074 22 HA ILE 17 HA ILE 17 11.755 -0.977 11.941 23 HB ILE 17 HB ILE 17 9.904 0.223 10.891 24 HG12 ILE 17 1HG1 ILE 17 8.398 -0.406 13.435 25 HG13 ILE 17 2HG1 ILE 17 8.826 1.189 12.825 26 HG21 ILE 17 1HG2 ILE 17 8.384 -1.712 10.642 27 HG22 ILE 17 2HG2 ILE 17 9.219 -2.488 11.987 28 HG23 ILE 17 3HG2 ILE 17 10.094 -2.119 10.500 29 HD11 ILE 17 3HD1 ILE 17 6.929 -0.739 11.515 30 HD12 ILE 17 1HD1 ILE 17 7.362 0.859 10.910 31 HD13 ILE 17 2HD1 ILE 17 6.487 0.700 12.432 32 HA PRO 18 HA PRO 18 13.622 2.574 13.378 33 HB2 PRO 18 1HB PRO 18 13.612 4.238 11.193 34 HB3 PRO 18 2HB PRO 18 14.688 2.850 11.374 35 HG2 PRO 18 1HG PRO 18 12.134 3.077 9.851 36 HG3 PRO 18 2HG PRO 18 13.639 2.261 9.402 37 HD2 PRO 18 1HD PRO 18 11.500 0.929 10.318 38 HD3 PRO 18 2HD PRO 18 13.141 0.393 10.679 39 H VAL 19 H VAL 19 11.530 4.329 11.144 40 HA VAL 19 HA VAL 19 10.228 5.601 13.413 41 HB VAL 19 HB VAL 19 10.928 6.668 10.691 42 HG11 VAL 19 1HG1 VAL 19 9.217 7.965 12.782 43 HG12 VAL 19 2HG1 VAL 19 8.660 7.307 11.245 44 HG13 VAL 19 3HG1 VAL 19 9.745 8.697 11.266 45 HG21 VAL 19 3HG2 VAL 19 11.628 7.600 13.468 46 HG22 VAL 19 1HG2 VAL 19 12.104 8.399 11.968 47 HG23 VAL 19 2HG2 VAL 19 12.711 6.786 12.339 48 HA PRO 20 HA PRO 20 6.671 3.433 11.790 49 HB2 PRO 20 1HB PRO 20 4.915 4.490 13.580 50 HB3 PRO 20 2HB PRO 20 6.029 3.179 13.971 51 HG2 PRO 20 1HG PRO 20 6.296 6.106 14.530 52 HG3 PRO 20 2HG PRO 20 6.633 4.729 15.598 53 HD2 PRO 20 1HD PRO 20 8.599 6.029 14.281 54 HD3 PRO 20 2HD PRO 20 8.665 4.284 14.590 55 H GLY 21 H GLY 21 5.274 3.956 10.246 56 HA2 GLY 21 1HA GLY 21 4.222 6.676 10.067 57 HA3 GLY 21 2HA GLY 21 5.182 6.097 8.712 58 H LYS 22 H LYS 22 2.277 6.818 9.007 59 HA LYS 22 HA LYS 22 1.268 4.640 7.441 60 HB2 LYS 22 1HB LYS 22 -0.651 4.127 8.922 61 HB3 LYS 22 2HB LYS 22 0.892 3.665 9.624 62 HG2 LYS 22 1HG LYS 22 0.864 5.652 11.032 63 HG3 LYS 22 2HG LYS 22 -0.662 6.154 10.306 64 HD2 LYS 22 1HD LYS 22 -1.745 4.143 11.170 65 HD3 LYS 22 2HD LYS 22 -0.215 3.613 11.870 66 HE2 LYS 22 1HE LYS 22 -0.182 5.598 13.299 67 HE3 LYS 22 2HE LYS 22 -1.707 6.133 12.596 68 HZ1 LYS 22 3HZ LYS 22 -2.743 4.111 13.464 69 HZ2 LYS 22 1HZ LYS 22 -2.081 5.051 14.701 70 HZ3 LYS 22 2HZ LYS 22 -1.281 3.659 14.181 71 H VAL 23 H VAL 23 -0.251 5.333 6.054 72 HA VAL 23 HA VAL 23 -1.857 7.664 6.845 73 HB VAL 23 HB VAL 23 -1.820 8.672 4.678 74 HG11 VAL 23 1HG1 VAL 23 0.523 9.309 4.409 75 HG12 VAL 23 2HG1 VAL 23 1.001 7.965 5.448 76 HG13 VAL 23 3HG1 VAL 23 0.037 9.288 6.104 77 HG21 VAL 23 3HG2 VAL 23 -0.577 7.844 2.767 78 HG22 VAL 23 1HG2 VAL 23 -1.752 6.639 3.306 79 HG23 VAL 23 2HG2 VAL 23 -0.046 6.438 3.703 80 H THR 24 H THR 24 -3.980 7.709 5.736 81 HA THR 24 HA THR 24 -4.736 5.017 4.847 82 HB THR 24 HB THR 24 -5.466 5.293 7.165 83 HG1 THR 24 HG1 THR 24 -6.786 4.139 5.595 84 HG21 THR 24 3HG2 THR 24 -7.097 7.622 6.140 85 HG22 THR 24 1HG2 THR 24 -5.711 7.727 7.227 86 HG23 THR 24 2HG2 THR 24 -7.191 6.928 7.760 87 H LEU 25 H LEU 25 -5.926 4.892 3.091 88 HA LEU 25 HA LEU 25 -7.146 7.333 1.996 89 HB2 LEU 25 1HB LEU 25 -5.610 5.209 0.486 90 HB3 LEU 25 2HB LEU 25 -6.567 6.459 -0.270 91 HG LEU 25 HG LEU 25 -4.336 7.152 -0.466 92 HD11 LEU 25 1HD1 LEU 25 -4.217 9.197 0.850 93 HD12 LEU 25 2HD1 LEU 25 -5.498 8.598 1.903 94 HD13 LEU 25 3HD1 LEU 25 -5.838 8.935 0.206 95 HD21 LEU 25 3HD2 LEU 25 -3.339 5.622 1.130 96 HD22 LEU 25 1HD2 LEU 25 -3.989 6.568 2.468 97 HD23 LEU 25 2HD2 LEU 25 -2.769 7.265 1.406 98 H GLN 26 H GLN 26 -8.376 6.331 -0.150 99 HA GLN 26 HA GLN 26 -9.940 4.053 0.764 100 HB2 GLN 26 1HB GLN 26 -10.967 6.696 -0.211 101 HB3 GLN 26 2HB GLN 26 -11.930 5.231 -0.371 102 HG2 GLN 26 1HG GLN 26 -11.896 4.890 2.002 103 HG3 GLN 26 2HG GLN 26 -10.811 6.255 2.214 104 HE21 GLN 26 2HE2 GLN 26 -13.424 5.784 3.364 105 HE22 GLN 26 1HE2 GLN 26 -14.423 7.112 2.881 106 H LYS 27 H LYS 27 -10.454 2.638 -0.677 107 HA LYS 27 HA LYS 27 -8.901 2.004 -2.782 108 HB2 LYS 27 1HB LYS 27 -11.861 1.476 -2.726 109 HB3 LYS 27 2HB LYS 27 -10.672 0.580 -3.632 110 HG2 LYS 27 1HG LYS 27 -10.890 0.711 -0.642 111 HG3 LYS 27 2HG LYS 27 -11.327 -0.651 -1.678 112 HD2 LYS 27 1HD LYS 27 -8.878 -0.410 -2.507 113 HD3 LYS 27 2HD LYS 27 -8.639 0.401 -0.972 114 HE2 LYS 27 1HE LYS 27 -8.109 -1.859 -0.592 115 HE3 LYS 27 2HE LYS 27 -9.702 -1.603 0.117 116 HZ1 LYS 27 3HZ LYS 27 -9.171 -2.801 -2.551 117 HZ2 LYS 27 1HZ LYS 27 -10.701 -2.575 -1.861 118 HZ3 LYS 27 2HZ LYS 27 -9.605 -3.656 -1.153 119 H ASP 28 H ASP 28 -8.849 2.165 -4.888 120 HA ASP 28 HA ASP 28 -9.867 4.539 -6.160 121 HB2 ASP 28 1HB ASP 28 -7.583 3.781 -6.580 122 HB3 ASP 28 2HB ASP 28 -8.168 2.221 -7.129 123 H ALA 29 H ALA 29 -10.671 4.052 -8.599 124 HA ALA 29 HA ALA 29 -13.179 2.851 -8.495 125 HB1 ALA 29 3HB ALA 29 -13.164 2.972 -10.931 126 HB2 ALA 29 1HB ALA 29 -11.421 3.242 -10.917 127 HB3 ALA 29 2HB ALA 29 -12.506 4.447 -10.224 128 H GLN 30 H GLN 30 -10.019 1.483 -9.174 129 HA GLN 30 HA GLN 30 -11.169 -1.077 -9.962 130 HB2 GLN 30 1HB GLN 30 -9.037 0.128 -10.931 131 HB3 GLN 30 2HB GLN 30 -8.301 -0.688 -9.578 132 HG2 GLN 30 1HG GLN 30 -8.903 -2.819 -10.393 133 HG3 GLN 30 2HG GLN 30 -9.953 -2.109 -11.623 134 HE21 GLN 30 2HE2 GLN 30 -6.698 -2.769 -10.675 135 HE22 GLN 30 1HE2 GLN 30 -5.965 -2.389 -12.187 136 H ASN 31 H ASN 31 -11.041 0.247 -7.189 137 HA ASN 31 HA ASN 31 -11.327 -0.585 -5.084 138 HB2 ASN 31 1HB ASN 31 -12.233 -2.616 -6.222 139 HB3 ASN 31 2HB ASN 31 -10.618 -3.290 -6.243 140 HD21 ASN 31 2HD2 ASN 31 -11.164 -5.043 -5.047 141 HD22 ASN 31 1HD2 ASN 31 -11.603 -4.949 -3.385 142 H LEU 32 H LEU 32 -8.568 0.001 -6.434 143 HA LEU 32 HA LEU 32 -6.986 -1.269 -4.297 144 HB2 LEU 32 1HB LEU 32 -5.050 -1.127 -6.005 145 HB3 LEU 32 2HB LEU 32 -6.229 -2.399 -6.176 146 HG LEU 32 HG LEU 32 -7.374 -1.017 -7.925 147 HD11 LEU 32 1HD1 LEU 32 -6.144 0.790 -8.976 148 HD12 LEU 32 2HD1 LEU 32 -4.863 0.641 -7.774 149 HD13 LEU 32 3HD1 LEU 32 -6.471 1.172 -7.286 150 HD21 LEU 32 3HD2 LEU 32 -5.732 -1.538 -9.658 151 HD22 LEU 32 1HD2 LEU 32 -5.906 -2.857 -8.499 152 HD23 LEU 32 2HD2 LEU 32 -4.508 -1.783 -8.412 153 H ILE 33 H ILE 33 -4.563 -0.064 -4.629 154 HA ILE 33 HA ILE 33 -5.277 2.675 -3.905 155 HB ILE 33 HB ILE 33 -2.629 2.077 -3.105 156 HG12 ILE 33 1HG1 ILE 33 -4.633 0.028 -2.124 157 HG13 ILE 33 2HG1 ILE 33 -3.404 -0.332 -3.347 158 HG21 ILE 33 1HG2 ILE 33 -5.251 2.467 -1.671 159 HG22 ILE 33 2HG2 ILE 33 -4.012 3.681 -2.011 160 HG23 ILE 33 3HG2 ILE 33 -3.688 2.393 -0.849 161 HD11 ILE 33 3HD1 ILE 33 -1.660 0.198 -1.703 162 HD12 ILE 33 1HD1 ILE 33 -2.722 -1.091 -1.137 163 HD13 ILE 33 2HD1 ILE 33 -2.899 0.542 -0.496 164 H GLY 34 H GLY 34 -3.246 0.754 -6.021 165 HA2 GLY 34 1HA GLY 34 -2.445 1.586 -8.087 166 HA3 GLY 34 2HA GLY 34 -2.619 3.229 -7.478 167 H ILE 35 H ILE 35 -0.897 0.541 -5.917 168 HA ILE 35 HA ILE 35 1.646 2.000 -6.402 169 HB ILE 35 HB ILE 35 2.428 1.025 -4.228 170 HG12 ILE 35 1HG1 ILE 35 0.474 0.625 -2.575 171 HG13 ILE 35 2HG1 ILE 35 -0.498 0.371 -4.013 172 HG21 ILE 35 1HG2 ILE 35 1.310 2.752 -2.861 173 HG22 ILE 35 2HG2 ILE 35 0.190 3.026 -4.198 174 HG23 ILE 35 3HG2 ILE 35 1.913 3.347 -4.407 175 HD11 ILE 35 3HD1 ILE 35 1.904 -1.245 -3.213 176 HD12 ILE 35 1HD1 ILE 35 0.930 -1.492 -4.666 177 HD13 ILE 35 2HD1 ILE 35 0.213 -1.729 -3.074 178 H SER 36 H SER 36 3.508 0.558 -5.778 179 HA SER 36 HA SER 36 3.193 -2.237 -6.438 180 HB2 SER 36 1HB SER 36 4.761 -0.304 -8.130 181 HB3 SER 36 2HB SER 36 5.140 -2.029 -8.093 182 HG SER 36 HG SER 36 2.693 -2.132 -8.414 183 H ILE 37 H ILE 37 4.222 -3.260 -4.959 184 HA ILE 37 HA ILE 37 6.535 -1.956 -3.684 185 HB ILE 37 HB ILE 37 4.870 -2.362 -2.038 186 HG12 ILE 37 1HG1 ILE 37 7.013 -4.490 -1.869 187 HG13 ILE 37 2HG1 ILE 37 7.141 -2.831 -1.296 188 HG21 ILE 37 1HG2 ILE 37 4.781 -5.225 -2.958 189 HG22 ILE 37 2HG2 ILE 37 3.542 -4.003 -3.249 190 HG23 ILE 37 3HG2 ILE 37 3.882 -4.541 -1.604 191 HD11 ILE 37 3HD1 ILE 37 5.334 -3.307 0.326 192 HD12 ILE 37 1HD1 ILE 37 6.778 -4.293 0.568 193 HD13 ILE 37 2HD1 ILE 37 5.353 -4.988 -0.204 194 H GLY 38 H GLY 38 8.481 -2.758 -3.920 195 HA2 GLY 38 1HA GLY 38 8.704 -5.424 -5.177 196 HA3 GLY 38 2HA GLY 38 9.749 -4.073 -5.588 197 H GLY 39 H GLY 39 10.122 -6.862 -4.415 198 HA2 GLY 39 1HA GLY 39 11.611 -6.059 -2.004 199 HA3 GLY 39 2HA GLY 39 10.957 -7.666 -2.280 200 H GLY 40 H GLY 40 13.675 -7.083 -1.577 201 HA2 GLY 40 1HA GLY 40 14.968 -8.905 -3.180 202 HA3 GLY 40 2HA GLY 40 15.237 -7.370 -3.984 203 H ALA 41 H ALA 41 16.012 -9.361 -1.262 204 HA ALA 41 HA ALA 41 18.503 -7.914 -1.000 205 HB1 ALA 41 3HB ALA 41 18.356 -7.720 1.440 206 HB2 ALA 41 1HB ALA 41 16.696 -8.307 1.386 207 HB3 ALA 41 2HB ALA 41 17.109 -6.765 0.640 208 H GLN 42 H GLN 42 20.059 -9.162 0.313 209 HA GLN 42 HA GLN 42 20.136 -11.797 -0.658 210 HB2 GLN 42 1HB GLN 42 21.794 -10.515 1.517 211 HB3 GLN 42 2HB GLN 42 22.180 -12.025 0.703 212 HG2 GLN 42 1HG GLN 42 22.308 -10.806 -1.431 213 HG3 GLN 42 2HG GLN 42 22.008 -9.303 -0.566 214 HE21 GLN 42 2HE2 GLN 42 24.293 -10.109 -2.163 215 HE22 GLN 42 1HE2 GLN 42 25.671 -9.986 -1.128 216 H TYR 43 H TYR 43 18.975 -13.431 -0.013 217 HA TYR 43 HA TYR 43 18.070 -15.067 1.257 218 HB2 TYR 43 1HB TYR 43 20.162 -15.068 2.538 219 HB3 TYR 43 2HB TYR 43 19.555 -13.769 3.556 220 HD1 TYR 43 HD1 TYR 43 18.577 -17.210 2.467 221 HD2 TYR 43 HD2 TYR 43 18.660 -14.343 5.607 222 HE1 TYR 43 HE1 TYR 43 17.618 -18.874 4.000 223 HE2 TYR 43 HE2 TYR 43 17.699 -15.999 7.150 224 HH TYR 43 HH TYR 43 16.330 -18.057 7.018 225 H CYS 44 H CYS 44 17.394 -11.838 1.632 226 HA CYS 44 HA CYS 44 14.895 -12.388 3.017 227 HB2 CYS 44 1HB CYS 44 16.917 -10.370 4.002 228 HB3 CYS 44 2HB CYS 44 15.289 -10.569 4.635 229 HG CYS 44 HG CYS 44 16.514 -13.510 4.826 230 HA PRO 45 HA PRO 45 14.494 -9.276 -0.453 231 HB2 PRO 45 1HB PRO 45 12.066 -10.906 -0.907 232 HB3 PRO 45 2HB PRO 45 13.269 -10.328 -2.066 233 HG2 PRO 45 1HG PRO 45 13.205 -12.888 -1.372 234 HG3 PRO 45 2HG PRO 45 14.754 -12.052 -1.578 235 HD2 PRO 45 1HD PRO 45 13.279 -12.697 0.960 236 HD3 PRO 45 2HD PRO 45 15.006 -12.898 0.585 237 H CYS 46 H CYS 46 11.812 -8.712 -1.065 238 HA CYS 46 HA CYS 46 10.255 -7.162 -0.488 239 HB2 CYS 46 1HB CYS 46 10.865 -7.832 2.404 240 HB3 CYS 46 2HB CYS 46 9.470 -6.942 1.806 241 HG CYS 46 HG CYS 46 9.937 -10.213 2.091 242 H LEU 47 H LEU 47 10.511 -4.964 -0.513 243 HA LEU 47 HA LEU 47 12.507 -3.767 1.256 244 HB2 LEU 47 1HB LEU 47 12.348 -3.035 -1.664 245 HB3 LEU 47 2HB LEU 47 13.471 -2.414 -0.476 246 HG LEU 47 HG LEU 47 13.435 -5.295 -1.232 247 HD11 LEU 47 1HD1 LEU 47 14.958 -3.073 -2.569 248 HD12 LEU 47 2HD1 LEU 47 13.648 -4.019 -3.280 249 HD13 LEU 47 3HD1 LEU 47 15.178 -4.798 -2.869 250 HD21 LEU 47 3HD2 LEU 47 14.674 -4.713 0.778 251 HD22 LEU 47 1HD2 LEU 47 15.546 -3.460 -0.104 252 HD23 LEU 47 2HD2 LEU 47 15.791 -5.157 -0.512 253 H TYR 48 H TYR 48 10.982 -2.278 -1.507 254 HA TYR 48 HA TYR 48 9.353 -0.622 0.267 255 HB2 TYR 48 1HB TYR 48 10.356 1.452 -0.641 256 HB3 TYR 48 2HB TYR 48 11.518 0.486 0.258 257 HD1 TYR 48 HD2 TYR 48 10.512 1.624 -3.098 258 HD2 TYR 48 HD1 TYR 48 13.435 -0.479 -0.836 259 HE1 TYR 48 HE2 TYR 48 12.038 1.686 -5.023 260 HE2 TYR 48 HE1 TYR 48 14.970 -0.421 -2.755 261 HH TYR 48 HH TYR 48 14.417 1.541 -5.496 262 H ILE 49 H ILE 49 8.247 1.153 -1.101 263 HA ILE 49 HA ILE 49 6.924 -0.152 -3.303 264 HB ILE 49 HB ILE 49 5.623 1.215 -1.734 265 HG12 ILE 49 1HG1 ILE 49 5.254 1.079 -4.391 266 HG13 ILE 49 2HG1 ILE 49 4.154 1.924 -3.314 267 HG21 ILE 49 1HG2 ILE 49 5.796 3.639 -1.716 268 HG22 ILE 49 2HG2 ILE 49 7.145 3.554 -2.850 269 HG23 ILE 49 3HG2 ILE 49 7.318 2.893 -1.220 270 HD11 ILE 49 3HD1 ILE 49 5.445 4.019 -3.807 271 HD12 ILE 49 1HD1 ILE 49 4.568 3.332 -5.179 272 HD13 ILE 49 2HD1 ILE 49 6.310 3.103 -5.041 273 H VAL 50 H VAL 50 7.430 0.025 -5.365 274 HA VAL 50 HA VAL 50 9.746 1.703 -5.996 275 HB VAL 50 HB VAL 50 8.670 -0.612 -7.607 276 HG11 VAL 50 1HG1 VAL 50 10.922 -0.660 -8.561 277 HG12 VAL 50 2HG1 VAL 50 11.365 0.739 -7.583 278 HG13 VAL 50 3HG1 VAL 50 10.134 0.893 -8.837 279 HG21 VAL 50 3HG2 VAL 50 9.232 -1.414 -5.383 280 HG22 VAL 50 1HG2 VAL 50 10.814 -0.640 -5.484 281 HG23 VAL 50 2HG2 VAL 50 10.418 -1.981 -6.559 282 H GLN 51 H GLN 51 6.360 1.452 -6.648 283 HA GLN 51 HA GLN 51 6.585 3.468 -8.695 284 HB2 GLN 51 1HB GLN 51 6.608 1.946 -10.366 285 HB3 GLN 51 2HB GLN 51 6.069 0.641 -9.321 286 HG2 GLN 51 1HG GLN 51 3.784 1.490 -9.473 287 HG3 GLN 51 2HG GLN 51 4.331 2.744 -10.585 288 HE21 GLN 51 2HE2 GLN 51 2.405 0.582 -10.944 289 HE22 GLN 51 1HE2 GLN 51 2.950 -0.321 -12.307 290 H VAL 52 H VAL 52 4.948 4.814 -8.568 291 HA VAL 52 HA VAL 52 2.371 3.834 -7.575 292 HB VAL 52 HB VAL 52 3.633 5.106 -5.776 293 HG11 VAL 52 1HG1 VAL 52 3.239 7.336 -7.737 294 HG12 VAL 52 2HG1 VAL 52 4.729 6.828 -6.932 295 HG13 VAL 52 3HG1 VAL 52 3.446 7.627 -6.010 296 HG21 VAL 52 3HG2 VAL 52 1.657 6.474 -5.139 297 HG22 VAL 52 1HG2 VAL 52 1.278 4.808 -5.581 298 HG23 VAL 52 2HG2 VAL 52 0.973 6.111 -6.724 299 H PHE 53 H PHE 53 0.600 5.272 -8.316 300 HA PHE 53 HA PHE 53 1.238 6.301 -10.961 301 HB2 PHE 53 1HB PHE 53 -1.386 5.650 -9.618 302 HB3 PHE 53 2HB PHE 53 -1.284 6.411 -11.202 303 HD1 PHE 53 HD1 PHE 53 -0.154 3.389 -9.337 304 HD2 PHE 53 HD2 PHE 53 -1.082 5.122 -13.111 305 HE1 PHE 53 HE1 PHE 53 0.102 1.186 -10.409 306 HE2 PHE 53 HE2 PHE 53 -0.836 2.923 -14.184 307 HZ PHE 53 HZ PHE 53 -0.243 0.953 -12.833 308 H ASP 54 H ASP 54 -1.350 8.074 -10.581 309 HA ASP 54 HA ASP 54 -0.120 10.151 -8.908 310 HB2 ASP 54 1HB ASP 54 0.455 10.507 -11.306 311 HB3 ASP 54 2HB ASP 54 -1.258 10.645 -11.663 312 H ASN 55 H ASN 55 -2.995 8.962 -10.479 313 HA ASN 55 HA ASN 55 -4.646 10.823 -8.971 314 HB2 ASN 55 1HB ASN 55 -5.266 9.158 -11.415 315 HB3 ASN 55 2HB ASN 55 -6.473 10.093 -10.535 316 HD21 ASN 55 2HD2 ASN 55 -3.726 10.215 -12.632 317 HD22 ASN 55 1HD2 ASN 55 -3.844 11.891 -13.021 318 H THR 56 H THR 56 -3.362 7.902 -8.563 319 HA THR 56 HA THR 56 -5.705 6.510 -7.628 320 HB THR 56 HB THR 56 -4.126 4.793 -6.886 321 HG1 THR 56 HG1 THR 56 -2.022 5.173 -6.726 322 HG21 THR 56 3HG2 THR 56 -3.093 4.256 -9.063 323 HG22 THR 56 1HG2 THR 56 -3.517 5.868 -9.628 324 HG23 THR 56 2HG2 THR 56 -4.788 4.720 -9.207 325 HA PRO 57 HA PRO 57 -5.935 8.389 -3.688 326 HB2 PRO 57 1HB PRO 57 -6.009 6.085 -2.070 327 HB3 PRO 57 2HB PRO 57 -7.402 6.913 -2.762 328 HG2 PRO 57 1HG PRO 57 -5.954 4.502 -3.735 329 HG3 PRO 57 2HG PRO 57 -7.685 4.877 -3.806 330 HD2 PRO 57 1HD PRO 57 -6.143 5.072 -5.979 331 HD3 PRO 57 2HD PRO 57 -7.430 6.256 -5.664 332 H ALA 58 H ALA 58 -3.840 5.588 -3.908 333 HA ALA 58 HA ALA 58 -2.077 6.081 -1.810 334 HB1 ALA 58 3HB ALA 58 -2.189 4.000 -3.101 335 HB2 ALA 58 1HB ALA 58 -0.546 4.631 -2.989 336 HB3 ALA 58 2HB ALA 58 -1.473 4.841 -4.475 337 H ALA 59 H ALA 59 -1.884 7.088 -5.236 338 HA ALA 59 HA ALA 59 0.600 8.475 -4.821 339 HB1 ALA 59 3HB ALA 59 -1.364 8.829 -7.072 340 HB2 ALA 59 1HB ALA 59 -0.178 7.529 -6.996 341 HB3 ALA 59 2HB ALA 59 0.359 9.203 -7.073 342 H LEU 60 H LEU 60 -2.688 9.514 -5.575 343 HA LEU 60 HA LEU 60 -2.278 12.207 -5.612 344 HB2 LEU 60 1HB LEU 60 -4.513 12.530 -5.540 345 HB3 LEU 60 2HB LEU 60 -4.254 11.034 -6.383 346 HG LEU 60 HG LEU 60 -4.871 10.166 -3.890 347 HD11 LEU 60 1HD1 LEU 60 -6.687 12.492 -4.405 348 HD12 LEU 60 2HD1 LEU 60 -5.211 12.673 -3.456 349 HD13 LEU 60 3HD1 LEU 60 -6.479 11.557 -2.918 350 HD21 LEU 60 3HD2 LEU 60 -6.745 10.909 -6.127 351 HD22 LEU 60 1HD2 LEU 60 -7.077 9.736 -4.850 352 HD23 LEU 60 2HD2 LEU 60 -5.797 9.428 -6.028 353 H ASP 61 H ASP 61 -4.047 10.991 -2.809 354 HA ASP 61 HA ASP 61 -2.935 13.209 -1.249 355 HB2 ASP 61 1HB ASP 61 -5.383 12.839 -1.215 356 HB3 ASP 61 2HB ASP 61 -5.125 11.228 -0.568 357 H GLY 62 H GLY 62 -2.595 10.030 -1.930 358 HA2 GLY 62 1HA GLY 62 -2.220 8.877 0.644 359 HA3 GLY 62 2HA GLY 62 -1.713 8.157 -0.871 360 H THR 63 H THR 63 0.022 10.389 -1.497 361 HA THR 63 HA THR 63 2.249 10.691 -1.541 362 HB THR 63 HB THR 63 1.581 12.297 0.214 363 HG1 THR 63 HG1 THR 63 4.142 11.075 0.502 364 HG21 THR 63 3HG2 THR 63 2.138 11.827 2.555 365 HG22 THR 63 1HG2 THR 63 2.515 10.160 2.123 366 HG23 THR 63 2HG2 THR 63 0.866 10.759 1.963 367 H VAL 64 H VAL 64 1.464 7.946 -1.326 368 HA VAL 64 HA VAL 64 3.793 6.844 0.080 369 HB VAL 64 HB VAL 64 2.737 4.667 -0.001 370 HG11 VAL 64 1HG1 VAL 64 2.280 5.950 1.888 371 HG12 VAL 64 2HG1 VAL 64 0.688 5.379 1.370 372 HG13 VAL 64 3HG1 VAL 64 1.209 7.032 1.006 373 HG21 VAL 64 3HG2 VAL 64 0.378 6.046 -1.310 374 HG22 VAL 64 1HG2 VAL 64 0.449 4.365 -0.765 375 HG23 VAL 64 2HG2 VAL 64 1.465 4.907 -2.109 376 H ALA 65 H ALA 65 4.528 8.123 -1.824 377 HA ALA 65 HA ALA 65 4.369 6.825 -4.397 378 HB1 ALA 65 3HB ALA 65 5.905 9.286 -3.572 379 HB2 ALA 65 1HB ALA 65 4.268 9.266 -4.229 380 HB3 ALA 65 2HB ALA 65 5.624 8.738 -5.225 381 H ALA 66 H ALA 66 6.407 6.638 -5.685 382 HA ALA 66 HA ALA 66 7.834 4.485 -4.814 383 HB1 ALA 66 3HB ALA 66 7.629 5.320 -7.146 384 HB2 ALA 66 1HB ALA 66 9.258 4.802 -6.700 385 HB3 ALA 66 2HB ALA 66 8.866 6.520 -6.767 386 H GLY 67 H GLY 67 9.282 4.189 -3.289 387 HA2 GLY 67 1HA GLY 67 11.632 4.937 -2.687 388 HA3 GLY 67 2HA GLY 67 10.885 6.503 -2.413 389 H ASP 68 H ASP 68 8.428 5.171 -1.311 390 HA ASP 68 HA ASP 68 9.319 5.195 1.426 391 HB2 ASP 68 1HB ASP 68 6.694 4.878 0.065 392 HB3 ASP 68 2HB ASP 68 6.824 4.358 1.724 393 H GLU 69 H GLU 69 9.324 3.484 2.885 394 HA GLU 69 HA GLU 69 9.635 0.883 1.564 395 HB2 GLU 69 1HB GLU 69 11.552 1.949 2.845 396 HB3 GLU 69 2HB GLU 69 10.619 1.665 4.305 397 HG2 GLU 69 1HG GLU 69 10.863 -0.632 4.170 398 HG3 GLU 69 2HG GLU 69 11.251 -0.588 2.447 399 H ILE 70 H ILE 70 8.203 -0.695 1.961 400 HA ILE 70 HA ILE 70 6.081 -0.014 3.879 401 HB ILE 70 HB ILE 70 5.779 -1.778 1.452 402 HG12 ILE 70 1HG1 ILE 70 5.570 1.190 1.808 403 HG13 ILE 70 2HG1 ILE 70 6.406 0.298 0.550 404 HG21 ILE 70 1HG2 ILE 70 3.759 -0.334 3.173 405 HG22 ILE 70 2HG2 ILE 70 4.088 -2.067 3.204 406 HG23 ILE 70 3HG2 ILE 70 3.393 -1.327 1.761 407 HD11 ILE 70 3HD1 ILE 70 4.419 -0.137 -0.606 408 HD12 ILE 70 1HD1 ILE 70 4.307 1.557 -0.102 409 HD13 ILE 70 2HD1 ILE 70 3.418 0.304 0.777 410 H THR 71 H THR 71 6.493 -1.088 5.669 411 HA THR 71 HA THR 71 7.566 -3.783 5.548 412 HB THR 71 HB THR 71 8.701 -2.305 7.052 413 HG1 THR 71 HG1 THR 71 7.290 -4.472 8.039 414 HG21 THR 71 3HG2 THR 71 6.805 -0.737 7.419 415 HG22 THR 71 1HG2 THR 71 7.654 -1.173 8.901 416 HG23 THR 71 2HG2 THR 71 6.096 -1.912 8.526 417 H GLY 72 H GLY 72 4.490 -2.305 5.938 418 HA2 GLY 72 1HA GLY 72 3.356 -4.915 6.491 419 HA3 GLY 72 2HA GLY 72 3.116 -3.737 7.764 420 H VAL 73 H VAL 73 1.203 -5.145 6.077 421 HA VAL 73 HA VAL 73 -0.079 -2.919 4.683 422 HB VAL 73 HB VAL 73 -0.021 -4.541 3.044 423 HG11 VAL 73 1HG1 VAL 73 1.251 -6.162 4.455 424 HG12 VAL 73 2HG1 VAL 73 0.054 -6.935 3.414 425 HG13 VAL 73 3HG1 VAL 73 -0.284 -6.716 5.128 426 HG21 VAL 73 3HG2 VAL 73 -2.336 -5.382 4.751 427 HG22 VAL 73 1HG2 VAL 73 -2.108 -5.879 3.072 428 HG23 VAL 73 2HG2 VAL 73 -2.357 -4.174 3.461 429 H ASN 74 H ASN 74 -1.747 -2.037 5.765 430 HA ASN 74 HA ASN 74 -3.497 -1.752 7.181 431 HB2 ASN 74 1HB ASN 74 -3.918 -4.450 5.999 432 HB3 ASN 74 2HB ASN 74 -4.969 -3.959 7.319 433 HD21 ASN 74 2HD2 ASN 74 -6.758 -3.928 5.975 434 HD22 ASN 74 1HD2 ASN 74 -7.014 -2.671 4.817 435 H GLY 75 H GLY 75 -0.968 -2.754 8.364 436 HA2 GLY 75 1HA GLY 75 -0.635 -2.681 10.730 437 HA3 GLY 75 2HA GLY 75 -2.166 -3.510 10.935 438 H ARG 76 H ARG 76 -1.239 -5.433 8.664 439 HA ARG 76 HA ARG 76 0.365 -7.091 10.436 440 HB2 ARG 76 1HB ARG 76 -0.379 -8.907 8.912 441 HB3 ARG 76 2HB ARG 76 -1.669 -8.154 9.814 442 HG2 ARG 76 1HG ARG 76 -2.128 -6.781 7.788 443 HG3 ARG 76 2HG ARG 76 -0.972 -7.790 6.917 444 HD2 ARG 76 1HD ARG 76 -3.212 -8.611 6.534 445 HD3 ARG 76 2HD ARG 76 -2.313 -9.777 7.502 446 HE ARG 76 HE ARG 76 -3.820 -7.944 9.101 447 HH11 ARG 76 1HH1 ARG 76 -4.026 -10.917 7.257 448 HH12 ARG 76 2HH1 ARG 76 -5.416 -11.493 8.115 449 HH21 ARG 76 1HH2 ARG 76 -5.624 -8.718 10.245 450 HH22 ARG 76 2HH2 ARG 76 -6.318 -10.251 9.823 451 H SER 77 H SER 77 2.368 -7.760 9.871 452 HA SER 77 HA SER 77 3.759 -6.370 7.836 453 HB2 SER 77 1HB SER 77 4.600 -8.856 9.347 454 HB3 SER 77 2HB SER 77 5.667 -7.760 8.470 455 HG SER 77 HG SER 77 4.153 -6.399 10.246 456 H ILE 78 H ILE 78 4.771 -7.225 5.949 457 HA ILE 78 HA ILE 78 3.160 -9.246 4.608 458 HB ILE 78 HB ILE 78 4.131 -8.603 2.562 459 HG12 ILE 78 1HG1 ILE 78 6.511 -8.579 3.368 460 HG13 ILE 78 2HG1 ILE 78 6.117 -7.254 2.288 461 HG21 ILE 78 1HG2 ILE 78 3.916 -6.107 2.562 462 HG22 ILE 78 2HG2 ILE 78 3.781 -6.188 4.321 463 HG23 ILE 78 3HG2 ILE 78 2.574 -6.976 3.305 464 HD11 ILE 78 3HD1 ILE 78 6.392 -7.102 5.276 465 HD12 ILE 78 1HD1 ILE 78 5.914 -5.762 4.233 466 HD13 ILE 78 2HD1 ILE 78 7.520 -6.475 4.075 467 H LYS 79 H LYS 79 5.553 -9.257 6.651 468 HA LYS 79 HA LYS 79 7.368 -11.132 5.506 469 HB2 LYS 79 1HB LYS 79 8.163 -9.698 7.247 470 HB3 LYS 79 2HB LYS 79 6.864 -10.182 8.325 471 HG2 LYS 79 1HG LYS 79 9.118 -11.152 8.850 472 HG3 LYS 79 2HG LYS 79 7.817 -12.329 8.660 473 HD2 LYS 79 1HD LYS 79 8.561 -12.687 6.316 474 HD3 LYS 79 2HD LYS 79 9.930 -11.618 6.629 475 HE2 LYS 79 1HE LYS 79 10.837 -13.110 8.232 476 HE3 LYS 79 2HE LYS 79 9.359 -14.072 8.271 477 HZ1 LYS 79 3HZ LYS 79 11.260 -15.020 6.951 478 HZ2 LYS 79 1HZ LYS 79 11.004 -13.781 5.831 479 HZ3 LYS 79 2HZ LYS 79 9.783 -14.908 6.132 480 H GLY 80 H GLY 80 6.236 -12.903 4.750 481 HA2 GLY 80 1HA GLY 80 6.144 -15.186 5.906 482 HA3 GLY 80 2HA GLY 80 4.815 -14.466 6.794 483 H LYS 81 H LYS 81 3.848 -13.011 4.305 484 HA LYS 81 HA LYS 81 2.195 -15.287 3.512 485 HB2 LYS 81 1HB LYS 81 0.603 -13.695 2.873 486 HB3 LYS 81 2HB LYS 81 1.388 -12.962 4.262 487 HG2 LYS 81 1HG LYS 81 1.566 -12.223 1.379 488 HG3 LYS 81 2HG LYS 81 1.249 -11.208 2.784 489 HD2 LYS 81 1HD LYS 81 3.463 -11.003 3.297 490 HD3 LYS 81 2HD LYS 81 3.893 -12.545 2.585 491 HE2 LYS 81 1HE LYS 81 3.498 -11.513 0.336 492 HE3 LYS 81 2HE LYS 81 3.330 -9.959 1.150 493 HZ1 LYS 81 3HZ LYS 81 5.584 -10.341 2.094 494 HZ2 LYS 81 1HZ LYS 81 5.567 -10.165 0.409 495 HZ3 LYS 81 2HZ LYS 81 5.729 -11.699 1.098 496 H THR 82 H THR 82 1.355 -13.979 1.064 497 HA THR 82 HA THR 82 3.643 -14.286 -0.742 498 HB THR 82 HB THR 82 0.912 -15.334 -1.483 499 HG1 THR 82 HG1 THR 82 1.465 -16.550 0.314 500 HG21 THR 82 3HG2 THR 82 2.147 -16.653 -3.100 501 HG22 THR 82 1HG2 THR 82 3.678 -16.076 -2.441 502 HG23 THR 82 2HG2 THR 82 2.592 -14.953 -3.260 503 H LYS 83 H LYS 83 3.594 -12.763 -2.368 504 HA LYS 83 HA LYS 83 2.509 -10.340 -2.279 505 HB2 LYS 83 1HB LYS 83 2.461 -11.660 -4.962 506 HB3 LYS 83 2HB LYS 83 3.006 -10.047 -4.531 507 HG2 LYS 83 1HG LYS 83 4.751 -11.511 -3.159 508 HG3 LYS 83 2HG LYS 83 4.432 -12.607 -4.490 509 HD2 LYS 83 1HD LYS 83 5.250 -9.721 -4.796 510 HD3 LYS 83 2HD LYS 83 6.336 -11.103 -4.949 511 HE2 LYS 83 1HE LYS 83 3.857 -10.815 -6.627 512 HE3 LYS 83 2HE LYS 83 5.403 -10.113 -7.105 513 HZ1 LYS 83 3HZ LYS 83 5.084 -12.279 -8.101 514 HZ2 LYS 83 1HZ LYS 83 4.899 -12.991 -6.577 515 HZ3 LYS 83 2HZ LYS 83 6.385 -12.315 -7.021 516 H VAL 84 H VAL 84 0.996 -12.946 -4.095 517 HA VAL 84 HA VAL 84 -1.264 -11.690 -4.962 518 HB VAL 84 HB VAL 84 -0.663 -13.854 -5.769 519 HG11 VAL 84 1HG1 VAL 84 0.361 -14.723 -3.727 520 HG12 VAL 84 2HG1 VAL 84 -0.792 -15.869 -4.410 521 HG13 VAL 84 3HG1 VAL 84 -1.237 -14.902 -3.003 522 HG21 VAL 84 3HG2 VAL 84 -3.004 -13.323 -5.860 523 HG22 VAL 84 1HG2 VAL 84 -3.234 -13.979 -4.242 524 HG23 VAL 84 2HG2 VAL 84 -2.783 -15.048 -5.571 525 H GLU 85 H GLU 85 -0.581 -12.939 -1.779 526 HA GLU 85 HA GLU 85 -3.286 -12.790 -0.858 527 HB2 GLU 85 1HB GLU 85 -0.732 -13.128 0.708 528 HB3 GLU 85 2HB GLU 85 -2.361 -13.427 1.295 529 HG2 GLU 85 1HG GLU 85 -2.593 -15.186 -0.438 530 HG3 GLU 85 2HG GLU 85 -0.904 -14.936 -0.853 531 H VAL 86 H VAL 86 -0.417 -10.740 -0.685 532 HA VAL 86 HA VAL 86 -1.528 -9.048 1.339 533 HB VAL 86 HB VAL 86 0.315 -7.456 0.793 534 HG11 VAL 86 1HG1 VAL 86 1.402 -10.225 1.101 535 HG12 VAL 86 2HG1 VAL 86 0.399 -9.480 2.369 536 HG13 VAL 86 3HG1 VAL 86 1.924 -8.728 1.895 537 HG21 VAL 86 3HG2 VAL 86 1.149 -9.631 -1.103 538 HG22 VAL 86 1HG2 VAL 86 2.162 -8.279 -0.588 539 HG23 VAL 86 2HG2 VAL 86 0.702 -7.976 -1.542 540 H ALA 87 H ALA 87 -1.171 -8.701 -2.183 541 HA ALA 87 HA ALA 87 -2.614 -6.287 -2.402 542 HB1 ALA 87 3HB ALA 87 -1.374 -7.195 -4.282 543 HB2 ALA 87 1HB ALA 87 -3.064 -6.939 -4.713 544 HB3 ALA 87 2HB ALA 87 -2.478 -8.569 -4.372 545 H LYS 88 H LYS 88 -3.605 -9.657 -2.093 546 HA LYS 88 HA LYS 88 -6.375 -9.298 -2.444 547 HB2 LYS 88 1HB LYS 88 -5.361 -11.522 -2.408 548 HB3 LYS 88 2HB LYS 88 -4.948 -11.312 -0.709 549 HG2 LYS 88 1HG LYS 88 -7.186 -11.358 -0.060 550 HG3 LYS 88 2HG LYS 88 -7.761 -11.142 -1.701 551 HD2 LYS 88 1HD LYS 88 -8.104 -13.423 -1.023 552 HD3 LYS 88 2HD LYS 88 -6.870 -13.342 -2.285 553 HE2 LYS 88 1HE LYS 88 -5.139 -13.471 -0.602 554 HE3 LYS 88 2HE LYS 88 -6.349 -13.541 0.671 555 HZ1 LYS 88 3HZ LYS 88 -5.516 -15.737 0.137 556 HZ2 LYS 88 1HZ LYS 88 -5.987 -15.555 -1.475 557 HZ3 LYS 88 2HZ LYS 88 -7.153 -15.618 -0.254 558 H MET 89 H MET 89 -4.400 -9.352 0.510 559 HA MET 89 HA MET 89 -6.210 -8.821 2.469 560 HB2 MET 89 1HB MET 89 -3.494 -7.596 2.087 561 HB3 MET 89 2HB MET 89 -4.393 -7.483 3.586 562 HG2 MET 89 1HG MET 89 -4.306 -9.864 3.865 563 HG3 MET 89 2HG MET 89 -3.551 -10.062 2.283 564 HE1 MET 89 3HE MET 89 -0.673 -11.017 4.781 565 HE2 MET 89 1HE MET 89 -1.652 -11.547 3.413 566 HE3 MET 89 2HE MET 89 -2.395 -11.331 4.998 567 H ILE 90 H ILE 90 -4.687 -6.465 0.350 568 HA ILE 90 HA ILE 90 -6.077 -4.199 1.249 569 HB ILE 90 HB ILE 90 -4.746 -4.834 -1.383 570 HG12 ILE 90 1HG1 ILE 90 -3.270 -4.739 0.568 571 HG13 ILE 90 2HG1 ILE 90 -2.959 -3.395 -0.524 572 HG21 ILE 90 1HG2 ILE 90 -5.687 -2.124 -0.467 573 HG22 ILE 90 2HG2 ILE 90 -6.478 -3.106 -1.701 574 HG23 ILE 90 3HG2 ILE 90 -4.835 -2.512 -1.968 575 HD11 ILE 90 3HD1 ILE 90 -4.472 -3.298 2.074 576 HD12 ILE 90 1HD1 ILE 90 -4.309 -1.945 0.954 577 HD13 ILE 90 2HD1 ILE 90 -2.880 -2.618 1.738 578 H GLN 91 H GLN 91 -6.703 -6.288 -1.605 579 HA GLN 91 HA GLN 91 -8.980 -4.914 -2.480 580 HB2 GLN 91 1HB GLN 91 -8.323 -7.835 -2.866 581 HB3 GLN 91 2HB GLN 91 -9.436 -6.887 -3.824 582 HG2 GLN 91 1HG GLN 91 -6.478 -6.394 -3.640 583 HG3 GLN 91 2HG GLN 91 -7.289 -7.254 -4.943 584 HE21 GLN 91 2HE2 GLN 91 -6.558 -5.797 -6.477 585 HE22 GLN 91 1HE2 GLN 91 -7.218 -4.206 -6.615 586 H GLU 92 H GLU 92 -8.598 -7.446 -0.105 587 HA GLU 92 HA GLU 92 -11.251 -8.422 -0.125 588 HB2 GLU 92 1HB GLU 92 -9.417 -9.768 0.694 589 HB3 GLU 92 2HB GLU 92 -9.074 -8.597 1.957 590 HG2 GLU 92 1HG GLU 92 -11.093 -9.112 3.096 591 HG3 GLU 92 2HG GLU 92 -11.662 -10.093 1.752 592 H VAL 93 H VAL 93 -9.557 -6.395 2.246 593 HA VAL 93 HA VAL 93 -11.705 -5.864 3.914 594 HB VAL 93 HB VAL 93 -10.520 -3.937 4.742 595 HG11 VAL 93 1HG1 VAL 93 -8.320 -4.929 5.200 596 HG12 VAL 93 2HG1 VAL 93 -8.612 -6.125 3.936 597 HG13 VAL 93 3HG1 VAL 93 -9.632 -6.094 5.375 598 HG21 VAL 93 3HG2 VAL 93 -8.717 -4.137 2.326 599 HG22 VAL 93 1HG2 VAL 93 -8.544 -3.000 3.665 600 HG23 VAL 93 2HG2 VAL 93 -9.939 -2.892 2.587 601 H LYS 94 H LYS 94 -10.725 -4.294 0.957 602 HA LYS 94 HA LYS 94 -11.520 -2.643 -0.329 603 HB2 LYS 94 1HB LYS 94 -13.786 -2.887 -1.107 604 HB3 LYS 94 2HB LYS 94 -13.033 -4.460 -0.918 605 HG2 LYS 94 1HG LYS 94 -14.247 -4.774 1.187 606 HG3 LYS 94 2HG LYS 94 -15.022 -3.205 0.959 607 HD2 LYS 94 1HD LYS 94 -16.061 -3.980 -1.088 608 HD3 LYS 94 2HD LYS 94 -15.216 -5.522 -0.962 609 HE2 LYS 94 1HE LYS 94 -16.396 -6.004 1.119 610 HE3 LYS 94 2HE LYS 94 -17.234 -4.457 1.005 611 HZ1 LYS 94 3HZ LYS 94 -18.595 -6.298 0.211 612 HZ2 LYS 94 1HZ LYS 94 -17.441 -6.663 -0.971 613 HZ3 LYS 94 2HZ LYS 94 -18.275 -5.196 -1.030 614 H GLY 95 H GLY 95 -12.808 -0.722 -0.623 615 HA2 GLY 95 1HA GLY 95 -14.127 1.058 0.156 616 HA3 GLY 95 2HA GLY 95 -14.099 0.351 1.762 617 H GLU 96 H GLU 96 -11.358 0.051 2.137 618 HA GLU 96 HA GLU 96 -10.234 2.693 1.859 619 HB2 GLU 96 1HB GLU 96 -9.895 3.012 4.217 620 HB3 GLU 96 2HB GLU 96 -11.608 2.724 3.933 621 HG2 GLU 96 1HG GLU 96 -11.415 0.475 4.661 622 HG3 GLU 96 2HG GLU 96 -9.675 0.598 4.778 623 H VAL 97 H VAL 97 -8.117 2.650 3.200 624 HA VAL 97 HA VAL 97 -6.719 0.094 3.071 625 HB VAL 97 HB VAL 97 -4.952 0.814 1.635 626 HG11 VAL 97 1HG1 VAL 97 -7.438 1.828 0.269 627 HG12 VAL 97 2HG1 VAL 97 -7.075 0.114 0.503 628 HG13 VAL 97 3HG1 VAL 97 -6.005 1.114 -0.477 629 HG21 VAL 97 3HG2 VAL 97 -4.815 3.049 0.658 630 HG22 VAL 97 1HG2 VAL 97 -4.756 3.109 2.419 631 HG23 VAL 97 2HG2 VAL 97 -6.243 3.534 1.570 632 H THR 98 H THR 98 -4.816 0.082 4.386 633 HA THR 98 HA THR 98 -4.055 2.624 5.620 634 HB THR 98 HB THR 98 -4.416 0.113 7.265 635 HG1 THR 98 HG1 THR 98 -6.472 0.736 6.894 636 HG21 THR 98 3HG2 THR 98 -4.141 1.641 9.156 637 HG22 THR 98 1HG2 THR 98 -3.942 2.995 8.043 638 HG23 THR 98 2HG2 THR 98 -2.736 1.708 8.091 639 H ILE 99 H ILE 99 -2.043 2.850 4.913 640 HA ILE 99 HA ILE 99 -0.346 0.508 4.513 641 HB ILE 99 HB ILE 99 1.242 2.477 3.704 642 HG12 ILE 99 1HG1 ILE 99 -0.622 4.144 4.372 643 HG13 ILE 99 2HG1 ILE 99 0.201 4.370 2.840 644 HG21 ILE 99 1HG2 ILE 99 0.319 2.186 1.406 645 HG22 ILE 99 2HG2 ILE 99 -0.971 1.214 2.134 646 HG23 ILE 99 3HG2 ILE 99 0.712 0.698 2.278 647 HD11 ILE 99 3HD1 ILE 99 -2.461 3.012 3.139 648 HD12 ILE 99 1HD1 ILE 99 -1.652 3.449 1.635 649 HD13 ILE 99 2HD1 ILE 99 -2.236 4.710 2.725 650 H HIS 100 H HIS 100 1.734 0.307 5.422 651 HA HIS 100 HA HIS 100 2.339 2.156 7.631 652 HB2 HIS 100 1HB HIS 100 2.348 -0.851 7.654 653 HB3 HIS 100 2HB HIS 100 3.387 0.054 8.749 654 HD1 HIS 100 HD1 HIS 100 2.248 1.336 10.672 655 HD2 HIS 100 HD2 HIS 100 -0.393 -0.741 8.226 656 HE1 HIS 100 HE1 HIS 100 0.058 1.327 11.897 657 HE2 HIS 100 HE2 HIS 100 -1.478 -0.078 10.479 658 H TYR 101 H TYR 101 4.348 2.922 7.666 659 HA TYR 101 HA TYR 101 6.253 1.805 5.722 660 HB2 TYR 101 1HB TYR 101 5.613 4.696 6.285 661 HB3 TYR 101 2HB TYR 101 6.974 4.158 5.297 662 HD1 TYR 101 HD1 TYR 101 6.622 3.115 3.170 663 HD2 TYR 101 HD2 TYR 101 3.350 4.466 5.503 664 HE1 TYR 101 HE1 TYR 101 5.135 2.817 1.246 665 HE2 TYR 101 HE2 TYR 101 1.859 4.171 3.588 666 HH TYR 101 HH TYR 101 1.894 3.899 1.222 667 H ASN 102 H ASN 102 8.393 1.988 6.050 668 HA ASN 102 HA ASN 102 9.367 3.180 8.529 669 HB2 ASN 102 1HB ASN 102 11.060 1.330 8.588 670 HB3 ASN 102 2HB ASN 102 9.430 0.822 8.980 671 HD21 ASN 102 2HD2 ASN 102 11.835 -0.610 7.939 672 HD22 ASN 102 1HD2 ASN 102 11.301 -1.409 6.507 673 H LYS 103 H LYS 103 11.613 3.902 8.352 674 HA LYS 103 HA LYS 103 12.661 4.110 5.630 675 HB2 LYS 103 1HB LYS 103 12.206 6.269 7.654 676 HB3 LYS 103 2HB LYS 103 13.511 6.417 6.492 677 HG2 LYS 103 1HG LYS 103 11.736 7.581 5.603 678 HG3 LYS 103 2HG LYS 103 11.765 6.083 4.696 679 HD2 LYS 103 1HD LYS 103 9.972 5.260 6.257 680 HD3 LYS 103 2HD LYS 103 9.875 6.907 6.892 681 HE2 LYS 103 1HE LYS 103 9.512 7.663 4.509 682 HE3 LYS 103 2HE LYS 103 9.315 5.964 4.088 683 HZ1 LYS 103 3HZ LYS 103 7.612 7.610 5.858 684 HZ2 LYS 103 1HZ LYS 103 7.524 5.921 5.836 685 HZ3 LYS 103 2HZ LYS 103 7.171 6.807 4.435 686 H LEU 104 H LEU 104 14.341 2.673 5.898 687 HA LEU 104 HA LEU 104 16.649 3.776 7.158 688 HB2 LEU 104 1HB LEU 104 17.156 2.163 8.775 689 HB3 LEU 104 2HB LEU 104 15.480 2.564 9.061 690 HG LEU 104 HG LEU 104 16.611 0.038 7.871 691 HD11 LEU 104 1HD1 LEU 104 14.955 0.682 10.291 692 HD12 LEU 104 2HD1 LEU 104 16.614 0.078 10.250 693 HD13 LEU 104 3HD1 LEU 104 15.286 -0.956 9.729 694 HD21 LEU 104 3HD2 LEU 104 13.726 0.898 7.966 695 HD22 LEU 104 1HD2 LEU 104 14.285 -0.740 7.620 696 HD23 LEU 104 2HD2 LEU 104 14.694 0.580 6.520 697 H GLN 105 H GLN 105 18.596 2.518 6.628 698 HA GLN 105 HA GLN 105 18.081 0.676 4.402 699 HB2 GLN 105 1HB GLN 105 20.361 2.649 4.669 700 HB3 GLN 105 2HB GLN 105 20.195 1.470 3.376 701 HG2 GLN 105 1HG GLN 105 18.228 3.674 3.953 702 HG3 GLN 105 2HG GLN 105 19.499 3.751 2.736 703 HE21 GLN 105 2HE2 GLN 105 18.005 4.030 1.091 704 HE22 GLN 105 1HE2 GLN 105 17.024 2.732 0.507 705 H ALA 106 H ALA 106 18.108 -0.991 5.945 706 HA ALA 106 HA ALA 106 20.386 -1.485 7.593 707 HB1 ALA 106 3HB ALA 106 18.135 -2.245 8.197 708 HB2 ALA 106 1HB ALA 106 19.278 -3.588 8.127 709 HB3 ALA 106 2HB ALA 106 18.135 -3.334 6.809 710 H ASP 107 H ASP 107 21.370 -3.815 7.422 711 HA ASP 107 HA ASP 107 22.385 -4.050 4.648 712 HB2 ASP 107 1HB ASP 107 23.867 -4.325 7.278 713 HB3 ASP 107 2HB ASP 107 24.529 -4.864 5.742 714 HA PRO 108 HA PRO 108 21.242 -8.314 4.259 715 HB2 PRO 108 1HB PRO 108 24.198 -8.772 4.545 716 HB3 PRO 108 2HB PRO 108 23.051 -9.564 3.461 717 HG2 PRO 108 1HG PRO 108 24.597 -7.559 2.602 718 HG3 PRO 108 2HG PRO 108 22.929 -7.742 2.037 719 HD2 PRO 108 1HD PRO 108 24.087 -5.699 3.804 720 HD3 PRO 108 2HD PRO 108 22.563 -5.668 2.898 721 H LYS 109 H LYS 109 23.952 -7.920 6.521 722 HA LYS 109 HA LYS 109 23.352 -10.033 8.248 723 HB2 LYS 109 1HB LYS 109 24.761 -8.779 9.886 724 HB3 LYS 109 2HB LYS 109 25.513 -8.995 8.312 725 HG2 LYS 109 1HG LYS 109 24.939 -6.705 7.712 726 HG3 LYS 109 2HG LYS 109 24.128 -6.486 9.264 727 HD2 LYS 109 1HD LYS 109 27.062 -7.095 8.884 728 HD3 LYS 109 2HD LYS 109 26.385 -5.506 9.242 729 HE2 LYS 109 1HE LYS 109 25.437 -6.452 11.338 730 HE3 LYS 109 2HE LYS 109 26.278 -7.960 10.989 731 HZ1 LYS 109 3HZ LYS 109 28.377 -6.779 11.087 732 HZ2 LYS 109 1HZ LYS 109 27.517 -6.578 12.530 733 HZ3 LYS 109 2HZ LYS 109 27.576 -5.324 11.399 734 H GLN 110 H GLN 110 22.440 -6.620 8.503 735 HA GLN 110 HA GLN 110 21.039 -7.069 10.984 736 HB2 GLN 110 1HB GLN 110 21.809 -4.670 9.393 737 HB3 GLN 110 2HB GLN 110 20.718 -4.548 10.752 738 HG2 GLN 110 1HG GLN 110 23.517 -5.596 10.837 739 HG3 GLN 110 2HG GLN 110 22.993 -4.004 11.356 740 HE21 GLN 110 2HE2 GLN 110 21.846 -3.779 13.264 741 HE22 GLN 110 1HE2 GLN 110 21.754 -5.043 14.440 742 H LEU 111 H LEU 111 20.390 -7.135 7.743 743 HA LEU 111 HA LEU 111 17.752 -5.999 7.856 744 HB2 LEU 111 1HB LEU 111 19.243 -5.684 5.913 745 HB3 LEU 111 2HB LEU 111 19.238 -7.407 5.634 746 HG LEU 111 HG LEU 111 17.784 -5.973 4.112 747 HD11 LEU 111 1HD1 LEU 111 17.540 -8.370 4.192 748 HD12 LEU 111 2HD1 LEU 111 15.955 -7.604 4.068 749 HD13 LEU 111 3HD1 LEU 111 16.510 -8.244 5.616 750 HD21 LEU 111 3HD2 LEU 111 16.042 -5.889 6.573 751 HD22 LEU 111 1HD2 LEU 111 15.573 -5.372 4.953 752 HD23 LEU 111 2HD2 LEU 111 16.846 -4.512 5.818 753 H GLU 112 H GLU 112 19.320 -9.162 7.527 754 HA GLU 112 HA GLU 112 16.952 -10.714 7.407 755 HB2 GLU 112 1HB GLU 112 18.377 -12.604 8.040 756 HB3 GLU 112 2HB GLU 112 19.157 -11.626 6.802 757 HG2 GLU 112 1HG GLU 112 20.697 -10.741 8.288 758 HG3 GLU 112 2HG GLU 112 19.722 -11.172 9.693 759 H VAL 113 H VAL 113 18.616 -9.105 9.939 760 HA VAL 113 HA VAL 113 17.569 -10.429 12.193 761 HB VAL 113 HB VAL 113 18.422 -7.551 11.809 762 HG11 VAL 113 1HG1 VAL 113 16.942 -7.736 13.744 763 HG12 VAL 113 2HG1 VAL 113 18.606 -7.407 14.227 764 HG13 VAL 113 3HG1 VAL 113 17.946 -9.034 14.388 765 HG21 VAL 113 3HG2 VAL 113 20.178 -9.187 11.420 766 HG22 VAL 113 1HG2 VAL 113 19.860 -9.917 12.993 767 HG23 VAL 113 2HG2 VAL 113 20.485 -8.269 12.897 768 H LEU 114 H LEU 114 16.351 -7.901 10.104 769 HA LEU 114 HA LEU 114 13.967 -7.450 11.672 770 HB2 LEU 114 1HB LEU 114 15.150 -5.743 10.180 771 HB3 LEU 114 2HB LEU 114 14.479 -6.610 8.816 772 HG LEU 114 HG LEU 114 12.679 -5.501 10.955 773 HD11 LEU 114 1HD1 LEU 114 12.440 -3.473 9.598 774 HD12 LEU 114 2HD1 LEU 114 13.735 -4.032 8.539 775 HD13 LEU 114 3HD1 LEU 114 14.079 -3.647 10.226 776 HD21 LEU 114 3HD2 LEU 114 11.063 -5.439 9.130 777 HD22 LEU 114 1HD2 LEU 114 11.723 -7.064 9.324 778 HD23 LEU 114 2HD2 LEU 114 12.287 -6.033 8.009 779 H PHE 115 H PHE 115 15.048 -9.395 9.021 780 HA PHE 115 HA PHE 115 12.387 -10.225 8.213 781 HB2 PHE 115 1HB PHE 115 14.553 -9.945 6.780 782 HB3 PHE 115 2HB PHE 115 14.950 -11.546 7.381 783 HD1 PHE 115 HD1 PHE 115 12.246 -9.673 5.649 784 HD2 PHE 115 HD2 PHE 115 14.196 -13.414 6.220 785 HE1 PHE 115 HE1 PHE 115 10.923 -10.638 3.815 786 HE2 PHE 115 HE2 PHE 115 12.871 -14.385 4.389 787 HZ PHE 115 HZ PHE 115 11.234 -12.996 3.183 788 H GLN 116 H GLN 116 14.295 -10.849 10.740 789 HA GLN 116 HA GLN 116 14.232 -12.287 12.459 790 HB2 GLN 116 1HB GLN 116 11.766 -12.345 11.969 791 HB3 GLN 116 2HB GLN 116 12.053 -13.797 11.022 792 HG2 GLN 116 1HG GLN 116 11.261 -14.349 13.244 793 HG3 GLN 116 2HG GLN 116 12.906 -14.934 13.004 794 HE21 GLN 116 2HE2 GLN 116 14.580 -14.024 14.175 795 HE22 GLN 116 1HE2 GLN 116 14.313 -12.976 15.525 796 H GLY 117 H GLY 117 13.369 -14.635 9.897 797 HA2 GLY 117 1HA GLY 117 15.960 -15.674 9.541 798 HA3 GLY 117 2HA GLY 117 15.193 -16.552 10.858 799 HA PRO 118 HA PRO 118 11.983 -18.759 8.347 800 HB2 PRO 118 1HB PRO 118 10.650 -16.067 8.276 801 HB3 PRO 118 2HB PRO 118 9.917 -17.660 8.394 802 HG2 PRO 118 1HG PRO 118 10.342 -16.107 10.557 803 HG3 PRO 118 2HG PRO 118 10.394 -17.876 10.623 804 HD2 PRO 118 1HD PRO 118 12.560 -15.979 10.961 805 HD3 PRO 118 2HD PRO 118 12.574 -17.735 11.202 806 H GLN 119 H GLN 119 11.968 -19.170 6.212 807 HA GLN 119 HA GLN 119 13.559 -17.558 4.479 808 HB2 GLN 119 1HB GLN 119 11.930 -20.048 3.990 809 HB3 GLN 119 2HB GLN 119 12.921 -19.280 2.757 810 HG2 GLN 119 1HG GLN 119 14.890 -19.568 4.241 811 HG3 GLN 119 2HG GLN 119 13.863 -20.474 5.350 812 HE21 GLN 119 2HE2 GLN 119 15.100 -22.320 5.123 813 HE22 GLN 119 1HE2 GLN 119 15.064 -23.292 3.694 814 H PHE 120 H PHE 120 12.394 -17.706 2.006 815 HA PHE 120 HA PHE 120 10.147 -15.830 2.283 816 HB2 PHE 120 1HB PHE 120 11.246 -14.314 0.696 817 HB3 PHE 120 2HB PHE 120 12.234 -14.547 2.135 818 HD1 PHE 120 HD2 PHE 120 14.295 -15.859 2.030 819 HD2 PHE 120 HD1 PHE 120 11.969 -15.104 -1.453 820 HE1 PHE 120 HE2 PHE 120 16.193 -16.533 0.619 821 HE2 PHE 120 HE1 PHE 120 13.862 -15.778 -2.868 822 HZ PHE 120 HZ PHE 120 15.976 -16.491 -1.833 823 H THR 121 H THR 121 9.147 -15.302 0.187 824 HA THR 121 HA THR 121 9.587 -17.230 -1.963 825 HB THR 121 HB THR 121 7.715 -18.131 -0.630 826 HG1 THR 121 HG1 THR 121 7.711 -17.735 -3.197 827 HG21 THR 121 3HG2 THR 121 5.569 -16.889 -0.542 828 HG22 THR 121 1HG2 THR 121 6.402 -15.477 -1.190 829 HG23 THR 121 2HG2 THR 121 6.860 -16.123 0.384 830 H LEU 122 H LEU 122 10.299 -14.463 -1.514 831 HA LEU 122 HA LEU 122 8.532 -13.009 -3.360 832 HB2 LEU 122 1HB LEU 122 10.438 -12.008 -1.247 833 HB3 LEU 122 2HB LEU 122 9.681 -10.960 -2.424 834 HG LEU 122 HG LEU 122 8.464 -10.724 -0.412 835 HD11 LEU 122 1HD1 LEU 122 6.932 -12.574 -2.220 836 HD12 LEU 122 2HD1 LEU 122 7.081 -10.827 -2.393 837 HD13 LEU 122 3HD1 LEU 122 6.233 -11.506 -1.005 838 HD21 LEU 122 3HD2 LEU 122 7.467 -12.597 0.805 839 HD22 LEU 122 1HD2 LEU 122 9.226 -12.713 0.752 840 HD23 LEU 122 2HD2 LEU 122 8.243 -13.728 -0.304 841 H ARG 123 H ARG 123 9.279 -12.472 -5.306 842 HA ARG 123 HA ARG 123 12.157 -12.109 -5.677 843 HB2 ARG 123 1HB ARG 123 11.585 -14.429 -6.359 844 HB3 ARG 123 2HB ARG 123 10.441 -13.781 -7.520 845 HG2 ARG 123 1HG ARG 123 12.466 -14.414 -8.646 846 HG3 ARG 123 2HG ARG 123 12.294 -12.661 -8.688 847 HD2 ARG 123 1HD ARG 123 13.929 -14.047 -6.586 848 HD3 ARG 123 2HD ARG 123 14.604 -13.625 -8.157 849 HE ARG 123 HE ARG 123 13.672 -11.268 -7.420 850 HH11 ARG 123 1HH1 ARG 123 15.361 -13.643 -5.484 851 HH12 ARG 123 2HH1 ARG 123 16.137 -12.457 -4.483 852 HH21 ARG 123 1HH2 ARG 123 14.691 -9.711 -6.104 853 HH22 ARG 123 2HH2 ARG 123 15.768 -10.223 -4.842 854 H HIS 124 H HIS 124 9.315 -12.193 -7.835 855 HA HIS 124 HA HIS 124 10.009 -9.615 -8.952 856 HB2 HIS 124 1HB HIS 124 9.046 -11.456 -10.334 857 HB3 HIS 124 2HB HIS 124 7.558 -11.339 -9.408 858 HD1 HIS 124 HD1 HIS 124 9.621 -9.370 -11.887 859 HD2 HIS 124 HD2 HIS 124 5.786 -9.436 -10.295 860 HE1 HIS 124 HE1 HIS 124 8.294 -7.741 -13.261 861 HE2 HIS 124 HE2 HIS 124 6.017 -7.689 -12.185 862 H TRP 125 H TRP 125 8.691 -7.743 -8.813 863 HA TRP 125 HA TRP 125 7.567 -7.301 -6.230 864 HB2 TRP 125 1HB TRP 125 6.969 -5.028 -7.356 865 HB3 TRP 125 2HB TRP 125 8.654 -5.429 -7.055 866 HD1 TRP 125 HD1 TRP 125 6.132 -5.133 -9.943 867 HE1 TRP 125 HE1 TRP 125 7.458 -4.891 -12.141 868 HE3 TRP 125 HE3 TRP 125 10.852 -5.912 -8.134 869 HZ2 TRP 125 HZ2 TRP 125 10.150 -5.010 -12.986 870 HZ3 TRP 125 HZ3 TRP 125 12.746 -5.828 -9.702 871 HH2 TRP 125 HH2 TRP 125 12.399 -5.387 -12.078 872 H LEU 126 H LEU 126 5.435 -6.084 -6.043 873 HA LEU 126 HA LEU 126 3.370 -7.322 -7.740 874 HB2 LEU 126 1HB LEU 126 2.087 -7.984 -5.862 875 HB3 LEU 126 2HB LEU 126 3.717 -8.517 -5.530 876 HG LEU 126 HG LEU 126 3.632 -6.016 -4.373 877 HD11 LEU 126 1HD1 LEU 126 1.214 -5.900 -4.700 878 HD12 LEU 126 2HD1 LEU 126 1.627 -5.999 -2.989 879 HD13 LEU 126 3HD1 LEU 126 1.021 -7.424 -3.833 880 HD21 LEU 126 3HD2 LEU 126 3.637 -7.259 -2.272 881 HD22 LEU 126 1HD2 LEU 126 4.685 -8.015 -3.473 882 HD23 LEU 126 2HD2 LEU 126 3.098 -8.698 -3.134 883 H LYS 127 H LYS 127 1.178 -6.181 -7.297 884 HA LYS 127 HA LYS 127 1.539 -3.421 -6.507 885 HB2 LYS 127 1HB LYS 127 0.970 -2.442 -8.531 886 HB3 LYS 127 2HB LYS 127 2.033 -3.743 -9.018 887 HG2 LYS 127 1HG LYS 127 0.368 -3.909 -10.581 888 HG3 LYS 127 2HG LYS 127 -0.190 -5.061 -9.371 889 HD2 LYS 127 1HD LYS 127 -2.026 -3.651 -10.161 890 HD3 LYS 127 2HD LYS 127 -1.705 -3.373 -8.451 891 HE2 LYS 127 1HE LYS 127 -0.420 -1.354 -9.047 892 HE3 LYS 127 2HE LYS 127 -0.803 -1.629 -10.744 893 HZ1 LYS 127 3HZ LYS 127 -2.309 -0.020 -9.843 894 HZ2 LYS 127 1HZ LYS 127 -2.729 -1.044 -8.554 895 HZ3 LYS 127 2HZ LYS 127 -3.171 -1.442 -10.143 896 H VAL 128 H VAL 128 -0.281 -2.402 -5.867 897 HA VAL 128 HA VAL 128 -2.849 -3.468 -6.562 898 HB VAL 128 HB VAL 128 -2.611 -4.669 -4.523 899 HG11 VAL 128 1HG1 VAL 128 -1.912 -2.066 -3.226 900 HG12 VAL 128 2HG1 VAL 128 -0.867 -3.473 -3.439 901 HG13 VAL 128 3HG1 VAL 128 -2.268 -3.568 -2.372 902 HG21 VAL 128 3HG2 VAL 128 -4.366 -2.290 -4.051 903 HG22 VAL 128 1HG2 VAL 128 -4.511 -3.882 -3.304 904 HG23 VAL 128 2HG2 VAL 128 -4.778 -3.694 -5.036 Start of MODEL 20 1 H1 GLY 13 1H GLY 13 18.787 -10.938 15.073 2 H2 GLY 13 2H GLY 13 17.307 -10.144 15.251 3 H3 GLY 13 3H GLY 13 18.714 -9.251 14.974 4 HA2 GLY 13 1HA GLY 13 18.943 -10.254 12.781 5 HA3 GLY 13 2HA GLY 13 17.455 -11.142 13.069 6 H SER 14 H SER 14 17.920 -9.360 10.920 7 HA SER 14 HA SER 14 16.858 -7.755 9.733 8 HB2 SER 14 1HB SER 14 14.947 -7.568 12.072 9 HB3 SER 14 2HB SER 14 14.678 -6.926 10.452 10 HG SER 14 HG SER 14 15.341 -9.582 10.455 11 HA PRO 15 HA PRO 15 19.070 -4.284 11.357 12 HB2 PRO 15 1HB PRO 15 18.731 -2.602 9.261 13 HB3 PRO 15 2HB PRO 15 19.840 -3.976 9.215 14 HG2 PRO 15 1HG PRO 15 17.072 -3.739 8.104 15 HG3 PRO 15 2HG PRO 15 18.511 -4.477 7.376 16 HD2 PRO 15 1HD PRO 15 16.551 -5.928 8.576 17 HD3 PRO 15 2HD PRO 15 18.250 -6.439 8.549 18 H GLY 16 H GLY 16 15.742 -4.355 10.683 19 HA2 GLY 16 1HA GLY 16 14.024 -3.216 11.737 20 HA3 GLY 16 2HA GLY 16 15.222 -2.202 12.527 21 H ILE 17 H ILE 17 12.677 -1.547 11.082 22 HA ILE 17 HA ILE 17 13.538 -0.194 8.695 23 HB ILE 17 HB ILE 17 11.244 0.750 8.638 24 HG12 ILE 17 1HG1 ILE 17 10.870 -0.891 11.150 25 HG13 ILE 17 2HG1 ILE 17 10.793 0.864 11.022 26 HG21 ILE 17 1HG2 ILE 17 11.786 -1.319 7.518 27 HG22 ILE 17 2HG2 ILE 17 10.138 -1.371 8.150 28 HG23 ILE 17 3HG2 ILE 17 11.433 -2.232 8.986 29 HD11 ILE 17 3HD1 ILE 17 8.580 -0.150 11.172 30 HD12 ILE 17 1HD1 ILE 17 8.901 -1.059 9.696 31 HD13 ILE 17 2HD1 ILE 17 8.811 0.701 9.645 32 HA PRO 18 HA PRO 18 14.819 3.672 10.275 33 HB2 PRO 18 1HB PRO 18 13.629 5.429 8.542 34 HB3 PRO 18 2HB PRO 18 15.046 4.462 8.128 35 HG2 PRO 18 1HG PRO 18 12.161 3.940 7.535 36 HG3 PRO 18 2HG PRO 18 13.559 3.801 6.461 37 HD2 PRO 18 1HD PRO 18 12.492 1.652 7.598 38 HD3 PRO 18 2HD PRO 18 14.244 1.788 7.423 39 H VAL 19 H VAL 19 11.871 5.054 9.046 40 HA VAL 19 HA VAL 19 10.903 5.465 11.757 41 HB VAL 19 HB VAL 19 10.531 7.060 9.262 42 HG11 VAL 19 1HG1 VAL 19 9.175 8.597 10.567 43 HG12 VAL 19 2HG1 VAL 19 9.263 7.485 11.933 44 HG13 VAL 19 3HG1 VAL 19 8.450 6.997 10.448 45 HG21 VAL 19 3HG2 VAL 19 11.806 7.760 11.890 46 HG22 VAL 19 1HG2 VAL 19 11.626 8.851 10.515 47 HG23 VAL 19 2HG2 VAL 19 12.656 7.427 10.382 48 HA PRO 20 HA PRO 20 7.495 2.974 10.260 49 HB2 PRO 20 1HB PRO 20 6.419 2.699 12.810 50 HB3 PRO 20 2HB PRO 20 7.687 1.687 12.120 51 HG2 PRO 20 1HG PRO 20 7.925 3.491 14.301 52 HG3 PRO 20 2HG PRO 20 9.218 2.569 13.520 53 HD2 PRO 20 1HD PRO 20 8.407 5.399 13.128 54 HD3 PRO 20 2HD PRO 20 9.996 4.644 12.928 55 H GLY 21 H GLY 21 5.339 3.291 9.764 56 HA2 GLY 21 1HA GLY 21 3.583 4.974 11.166 57 HA3 GLY 21 2HA GLY 21 4.298 5.895 9.852 58 H LYS 22 H LYS 22 1.718 5.725 9.687 59 HA LYS 22 HA LYS 22 1.293 4.010 7.388 60 HB2 LYS 22 1HB LYS 22 -0.818 3.101 8.247 61 HB3 LYS 22 2HB LYS 22 0.543 2.590 9.236 62 HG2 LYS 22 1HG LYS 22 -0.042 4.070 10.980 63 HG3 LYS 22 2HG LYS 22 -1.183 4.939 9.957 64 HD2 LYS 22 1HD LYS 22 -2.622 2.989 9.862 65 HD3 LYS 22 2HD LYS 22 -1.463 2.065 10.820 66 HE2 LYS 22 1HE LYS 22 -2.829 4.577 11.768 67 HE3 LYS 22 2HE LYS 22 -3.404 2.949 12.114 68 HZ1 LYS 22 3HZ LYS 22 -1.322 2.491 13.246 69 HZ2 LYS 22 1HZ LYS 22 -2.087 3.830 13.934 70 HZ3 LYS 22 2HZ LYS 22 -0.762 4.049 12.906 71 H VAL 23 H VAL 23 -0.243 4.821 5.967 72 HA VAL 23 HA VAL 23 -1.745 7.167 6.932 73 HB VAL 23 HB VAL 23 -1.782 8.098 4.651 74 HG11 VAL 23 1HG1 VAL 23 0.588 8.819 4.571 75 HG12 VAL 23 2HG1 VAL 23 0.949 7.615 5.808 76 HG13 VAL 23 3HG1 VAL 23 -0.144 8.950 6.169 77 HG21 VAL 23 3HG2 VAL 23 0.217 5.944 3.968 78 HG22 VAL 23 1HG2 VAL 23 -0.266 7.282 2.920 79 HG23 VAL 23 2HG2 VAL 23 -1.440 6.041 3.372 80 H THR 24 H THR 24 -3.920 7.252 6.424 81 HA THR 24 HA THR 24 -4.939 4.732 5.324 82 HB THR 24 HB THR 24 -5.588 5.000 7.644 83 HG1 THR 24 HG1 THR 24 -7.111 4.223 5.903 84 HG21 THR 24 3HG2 THR 24 -5.509 7.432 7.838 85 HG22 THR 24 1HG2 THR 24 -7.074 6.818 8.369 86 HG23 THR 24 2HG2 THR 24 -6.915 7.574 6.784 87 H LEU 25 H LEU 25 -5.803 4.799 3.438 88 HA LEU 25 HA LEU 25 -7.200 7.231 2.554 89 HB2 LEU 25 1HB LEU 25 -5.480 5.361 0.914 90 HB3 LEU 25 2HB LEU 25 -6.520 6.587 0.226 91 HG LEU 25 HG LEU 25 -4.374 7.508 0.162 92 HD11 LEU 25 1HD1 LEU 25 -4.440 9.400 1.672 93 HD12 LEU 25 2HD1 LEU 25 -5.642 8.584 2.668 94 HD13 LEU 25 3HD1 LEU 25 -6.043 9.061 1.018 95 HD21 LEU 25 3HD2 LEU 25 -2.906 7.616 2.179 96 HD22 LEU 25 1HD2 LEU 25 -3.155 5.998 1.525 97 HD23 LEU 25 2HD2 LEU 25 -4.020 6.507 2.974 98 H GLN 26 H GLN 26 -8.242 6.187 0.219 99 HA GLN 26 HA GLN 26 -9.802 3.885 1.080 100 HB2 GLN 26 1HB GLN 26 -10.866 6.514 0.083 101 HB3 GLN 26 2HB GLN 26 -11.800 5.026 -0.039 102 HG2 GLN 26 1HG GLN 26 -11.795 4.750 2.329 103 HG3 GLN 26 2HG GLN 26 -10.680 6.094 2.527 104 HE21 GLN 26 2HE2 GLN 26 -13.297 5.704 3.692 105 HE22 GLN 26 1HE2 GLN 26 -14.261 7.055 3.191 106 H LYS 27 H LYS 27 -10.355 2.529 -0.424 107 HA LYS 27 HA LYS 27 -8.707 1.954 -2.502 108 HB2 LYS 27 1HB LYS 27 -11.649 1.336 -2.518 109 HB3 LYS 27 2HB LYS 27 -10.373 0.400 -3.257 110 HG2 LYS 27 1HG LYS 27 -10.403 0.844 -0.307 111 HG3 LYS 27 2HG LYS 27 -11.389 -0.413 -1.045 112 HD2 LYS 27 1HD LYS 27 -8.843 -0.651 -2.180 113 HD3 LYS 27 2HD LYS 27 -8.590 -0.425 -0.456 114 HE2 LYS 27 1HE LYS 27 -8.821 -2.775 -0.905 115 HE3 LYS 27 2HE LYS 27 -10.235 -2.213 -0.014 116 HZ1 LYS 27 3HZ LYS 27 -11.467 -2.112 -2.089 117 HZ2 LYS 27 1HZ LYS 27 -10.850 -3.671 -1.851 118 HZ3 LYS 27 2HZ LYS 27 -10.104 -2.624 -2.952 119 H ASP 28 H ASP 28 -8.648 2.192 -4.622 120 HA ASP 28 HA ASP 28 -9.835 4.530 -5.834 121 HB2 ASP 28 1HB ASP 28 -7.478 3.960 -6.225 122 HB3 ASP 28 2HB ASP 28 -7.942 2.402 -6.886 123 H ALA 29 H ALA 29 -10.583 4.057 -8.311 124 HA ALA 29 HA ALA 29 -12.963 2.557 -8.197 125 HB1 ALA 29 3HB ALA 29 -11.413 3.418 -10.637 126 HB2 ALA 29 1HB ALA 29 -12.610 4.388 -9.781 127 HB3 ALA 29 2HB ALA 29 -13.101 2.908 -10.603 128 H GLN 30 H GLN 30 -9.705 1.650 -8.792 129 HA GLN 30 HA GLN 30 -10.353 -0.875 -10.044 130 HB2 GLN 30 1HB GLN 30 -8.147 0.881 -9.751 131 HB3 GLN 30 2HB GLN 30 -7.675 -0.712 -9.241 132 HG2 GLN 30 1HG GLN 30 -8.542 -1.568 -11.429 133 HG3 GLN 30 2HG GLN 30 -8.730 0.116 -11.919 134 HE21 GLN 30 2HE2 GLN 30 -6.475 -2.415 -11.150 135 HE22 GLN 30 1HE2 GLN 30 -5.069 -1.628 -11.773 136 H ASN 31 H ASN 31 -10.807 0.204 -7.165 137 HA ASN 31 HA ASN 31 -10.984 -0.504 -5.070 138 HB2 ASN 31 1HB ASN 31 -11.819 -2.635 -4.714 139 HB3 ASN 31 2HB ASN 31 -12.290 -2.251 -6.343 140 HD21 ASN 31 2HD2 ASN 31 -10.549 -4.382 -4.327 141 HD22 ASN 31 1HD2 ASN 31 -10.058 -5.485 -5.557 142 H LEU 32 H LEU 32 -8.358 -0.089 -6.099 143 HA LEU 32 HA LEU 32 -6.893 -1.512 -3.982 144 HB2 LEU 32 1HB LEU 32 -4.873 -1.302 -5.605 145 HB3 LEU 32 2HB LEU 32 -6.031 -2.572 -5.863 146 HG LEU 32 HG LEU 32 -7.119 -1.172 -7.605 147 HD11 LEU 32 1HD1 LEU 32 -4.676 0.555 -7.260 148 HD12 LEU 32 2HD1 LEU 32 -6.340 1.020 -6.908 149 HD13 LEU 32 3HD1 LEU 32 -5.852 0.683 -8.569 150 HD21 LEU 32 3HD2 LEU 32 -4.219 -1.845 -8.032 151 HD22 LEU 32 1HD2 LEU 32 -5.420 -1.603 -9.300 152 HD23 LEU 32 2HD2 LEU 32 -5.580 -2.958 -8.182 153 H ILE 33 H ILE 33 -4.433 -0.180 -4.258 154 HA ILE 33 HA ILE 33 -5.279 2.494 -3.456 155 HB ILE 33 HB ILE 33 -2.540 2.008 -2.839 156 HG12 ILE 33 1HG1 ILE 33 -4.429 -0.062 -1.701 157 HG13 ILE 33 2HG1 ILE 33 -3.259 -0.411 -2.980 158 HG21 ILE 33 1HG2 ILE 33 -5.082 2.404 -1.279 159 HG22 ILE 33 2HG2 ILE 33 -3.846 3.605 -1.671 160 HG23 ILE 33 3HG2 ILE 33 -3.490 2.319 -0.516 161 HD11 ILE 33 3HD1 ILE 33 -1.445 0.219 -1.448 162 HD12 ILE 33 1HD1 ILE 33 -2.420 -1.105 -0.812 163 HD13 ILE 33 2HD1 ILE 33 -2.630 0.526 -0.178 164 H GLY 34 H GLY 34 -3.250 0.786 -5.742 165 HA2 GLY 34 1HA GLY 34 -2.683 1.780 -7.832 166 HA3 GLY 34 2HA GLY 34 -2.809 3.373 -7.095 167 H ILE 35 H ILE 35 -0.978 0.638 -5.803 168 HA ILE 35 HA ILE 35 1.530 2.021 -6.541 169 HB ILE 35 HB ILE 35 2.477 1.101 -4.384 170 HG12 ILE 35 1HG1 ILE 35 0.541 0.993 -2.594 171 HG13 ILE 35 2HG1 ILE 35 -0.420 0.508 -3.985 172 HG21 ILE 35 1HG2 ILE 35 0.383 3.238 -4.361 173 HG22 ILE 35 2HG2 ILE 35 2.124 3.423 -4.596 174 HG23 ILE 35 3HG2 ILE 35 1.490 2.947 -3.020 175 HD11 ILE 35 3HD1 ILE 35 2.074 -0.864 -3.044 176 HD12 ILE 35 1HD1 ILE 35 1.038 -1.371 -4.381 177 HD13 ILE 35 2HD1 ILE 35 0.422 -1.397 -2.726 178 H SER 36 H SER 36 3.408 0.549 -6.075 179 HA SER 36 HA SER 36 2.854 -2.265 -6.587 180 HB2 SER 36 1HB SER 36 4.618 -0.466 -8.237 181 HB3 SER 36 2HB SER 36 4.930 -2.202 -8.137 182 HG SER 36 HG SER 36 2.544 -2.309 -8.653 183 H ILE 37 H ILE 37 3.908 -3.496 -5.203 184 HA ILE 37 HA ILE 37 6.198 -2.279 -3.785 185 HB ILE 37 HB ILE 37 4.455 -4.521 -2.716 186 HG12 ILE 37 1HG1 ILE 37 4.266 -1.570 -2.090 187 HG13 ILE 37 2HG1 ILE 37 3.132 -2.454 -3.102 188 HG21 ILE 37 1HG2 ILE 37 6.640 -2.843 -1.554 189 HG22 ILE 37 2HG2 ILE 37 6.355 -4.579 -1.401 190 HG23 ILE 37 3HG2 ILE 37 5.353 -3.442 -0.510 191 HD11 ILE 37 3HD1 ILE 37 2.515 -3.844 -1.192 192 HD12 ILE 37 1HD1 ILE 37 2.250 -2.131 -0.864 193 HD13 ILE 37 2HD1 ILE 37 3.654 -2.955 -0.180 194 H GLY 38 H GLY 38 7.234 -4.595 -2.681 195 HA2 GLY 38 1HA GLY 38 7.711 -6.722 -4.420 196 HA3 GLY 38 2HA GLY 38 8.935 -5.485 -4.712 197 H GLY 39 H GLY 39 8.396 -8.227 -3.000 198 HA2 GLY 39 1HA GLY 39 9.801 -7.184 -0.643 199 HA3 GLY 39 2HA GLY 39 8.670 -8.525 -0.584 200 H GLY 40 H GLY 40 11.421 -8.296 0.339 201 HA2 GLY 40 1HA GLY 40 13.095 -9.942 -1.230 202 HA3 GLY 40 2HA GLY 40 13.196 -9.749 0.517 203 H ALA 41 H ALA 41 11.493 -10.972 1.785 204 HA ALA 41 HA ALA 41 10.152 -12.719 2.301 205 HB1 ALA 41 3HB ALA 41 8.964 -12.270 0.206 206 HB2 ALA 41 1HB ALA 41 9.020 -13.992 0.580 207 HB3 ALA 41 2HB ALA 41 10.092 -13.322 -0.650 208 H GLN 42 H GLN 42 12.187 -13.853 -0.384 209 HA GLN 42 HA GLN 42 12.592 -16.406 0.809 210 HB2 GLN 42 1HB GLN 42 12.596 -15.987 -1.637 211 HB3 GLN 42 2HB GLN 42 14.096 -15.090 -1.458 212 HG2 GLN 42 1HG GLN 42 15.197 -17.116 -0.635 213 HG3 GLN 42 2HG GLN 42 13.693 -18.010 -0.858 214 HE21 GLN 42 2HE2 GLN 42 14.620 -19.415 -2.321 215 HE22 GLN 42 1HE2 GLN 42 15.024 -18.937 -3.932 216 H TYR 43 H TYR 43 13.385 -15.807 2.874 217 HA TYR 43 HA TYR 43 15.045 -15.925 4.409 218 HB2 TYR 43 1HB TYR 43 17.014 -15.855 2.118 219 HB3 TYR 43 2HB TYR 43 17.341 -16.353 3.775 220 HD1 TYR 43 HD2 TYR 43 15.462 -18.227 4.565 221 HD2 TYR 43 HD1 TYR 43 16.935 -17.595 0.625 222 HE1 TYR 43 HE2 TYR 43 14.861 -20.534 3.974 223 HE2 TYR 43 HE1 TYR 43 16.332 -19.900 0.023 224 HH TYR 43 HH TYR 43 14.356 -21.856 2.020 225 H CYS 44 H CYS 44 14.934 -13.400 2.100 226 HA CYS 44 HA CYS 44 16.257 -11.607 4.016 227 HB2 CYS 44 1HB CYS 44 16.674 -11.585 1.019 228 HB3 CYS 44 2HB CYS 44 17.349 -10.423 2.156 229 HG CYS 44 HG CYS 44 19.547 -11.801 1.858 230 HA PRO 45 HA PRO 45 12.105 -9.924 2.761 231 HB2 PRO 45 1HB PRO 45 12.002 -9.338 5.652 232 HB3 PRO 45 2HB PRO 45 10.801 -10.119 4.618 233 HG2 PRO 45 1HG PRO 45 12.174 -11.561 6.348 234 HG3 PRO 45 2HG PRO 45 11.873 -12.190 4.723 235 HD2 PRO 45 1HD PRO 45 14.349 -10.837 5.783 236 HD3 PRO 45 2HD PRO 45 14.214 -12.371 4.889 237 H CYS 46 H CYS 46 11.445 -7.802 4.735 238 HA CYS 46 HA CYS 46 11.459 -5.548 4.681 239 HB2 CYS 46 1HB CYS 46 14.316 -5.791 3.699 240 HB3 CYS 46 2HB CYS 46 13.538 -4.303 4.229 241 HG CYS 46 HG CYS 46 15.068 -6.609 6.020 242 H LEU 47 H LEU 47 10.141 -4.718 3.234 243 HA LEU 47 HA LEU 47 10.551 -5.388 0.432 244 HB2 LEU 47 1HB LEU 47 8.138 -4.414 1.934 245 HB3 LEU 47 2HB LEU 47 8.175 -4.725 0.206 246 HG LEU 47 HG LEU 47 8.952 -7.075 0.879 247 HD11 LEU 47 1HD1 LEU 47 9.357 -6.677 3.224 248 HD12 LEU 47 2HD1 LEU 47 8.062 -7.858 3.022 249 HD13 LEU 47 3HD1 LEU 47 7.678 -6.190 3.449 250 HD21 LEU 47 3HD2 LEU 47 6.860 -6.508 -0.185 251 HD22 LEU 47 1HD2 LEU 47 6.154 -6.161 1.391 252 HD23 LEU 47 2HD2 LEU 47 6.657 -7.806 0.994 253 H TYR 48 H TYR 48 9.663 -3.820 -1.116 254 HA TYR 48 HA TYR 48 10.279 -1.039 -0.404 255 HB2 TYR 48 1HB TYR 48 11.642 -0.880 -2.555 256 HB3 TYR 48 2HB TYR 48 12.395 -1.722 -1.209 257 HD1 TYR 48 HD2 TYR 48 10.769 -2.170 -4.495 258 HD2 TYR 48 HD1 TYR 48 12.954 -4.041 -1.358 259 HE1 TYR 48 HE2 TYR 48 11.147 -4.129 -5.933 260 HE2 TYR 48 HE1 TYR 48 13.338 -6.004 -2.787 261 HH TYR 48 HH TYR 48 12.740 -5.996 -6.127 262 H ILE 49 H ILE 49 9.336 0.524 -1.776 263 HA ILE 49 HA ILE 49 7.143 -0.546 -3.392 264 HB ILE 49 HB ILE 49 6.688 1.188 -1.616 265 HG12 ILE 49 1HG1 ILE 49 5.399 0.775 -3.928 266 HG13 ILE 49 2HG1 ILE 49 4.882 1.989 -2.760 267 HG21 ILE 49 1HG2 ILE 49 7.166 3.529 -2.143 268 HG22 ILE 49 2HG2 ILE 49 8.086 3.009 -3.556 269 HG23 ILE 49 3HG2 ILE 49 8.641 2.582 -1.934 270 HD11 ILE 49 3HD1 ILE 49 6.204 3.670 -4.049 271 HD12 ILE 49 1HD1 ILE 49 4.844 2.967 -4.933 272 HD13 ILE 49 2HD1 ILE 49 6.488 2.424 -5.267 273 H VAL 50 H VAL 50 7.113 -0.444 -5.519 274 HA VAL 50 HA VAL 50 9.602 0.351 -6.801 275 HB VAL 50 HB VAL 50 7.302 -1.231 -7.953 276 HG11 VAL 50 1HG1 VAL 50 8.957 -1.990 -9.596 277 HG12 VAL 50 2HG1 VAL 50 10.158 -0.918 -8.875 278 HG13 VAL 50 3HG1 VAL 50 8.727 -0.243 -9.656 279 HG21 VAL 50 3HG2 VAL 50 9.844 -2.203 -6.655 280 HG22 VAL 50 1HG2 VAL 50 8.670 -3.217 -7.494 281 HG23 VAL 50 2HG2 VAL 50 8.210 -2.374 -6.015 282 H GLN 51 H GLN 51 6.133 1.112 -6.941 283 HA GLN 51 HA GLN 51 6.690 3.446 -8.500 284 HB2 GLN 51 1HB GLN 51 6.183 2.777 -10.578 285 HB3 GLN 51 2HB GLN 51 6.258 1.123 -9.991 286 HG2 GLN 51 1HG GLN 51 3.894 1.105 -9.576 287 HG3 GLN 51 2HG GLN 51 3.771 2.810 -9.993 288 HE21 GLN 51 2HE2 GLN 51 2.449 0.480 -11.143 289 HE22 GLN 51 1HE2 GLN 51 2.832 0.517 -12.827 290 H VAL 52 H VAL 52 4.999 4.859 -8.575 291 HA VAL 52 HA VAL 52 2.407 4.020 -7.546 292 HB VAL 52 HB VAL 52 3.785 5.048 -5.665 293 HG11 VAL 52 1HG1 VAL 52 4.949 6.798 -6.728 294 HG12 VAL 52 2HG1 VAL 52 3.749 7.580 -5.686 295 HG13 VAL 52 3HG1 VAL 52 3.466 7.456 -7.422 296 HG21 VAL 52 3HG2 VAL 52 1.230 6.437 -6.411 297 HG22 VAL 52 1HG2 VAL 52 1.925 6.331 -4.795 298 HG23 VAL 52 2HG2 VAL 52 1.346 4.874 -5.607 299 H PHE 53 H PHE 53 0.733 5.606 -8.117 300 HA PHE 53 HA PHE 53 1.427 6.932 -10.629 301 HB2 PHE 53 1HB PHE 53 -1.285 6.305 -9.441 302 HB3 PHE 53 2HB PHE 53 -1.005 7.013 -11.030 303 HD1 PHE 53 HD2 PHE 53 0.316 5.670 -12.726 304 HD2 PHE 53 HD1 PHE 53 -1.250 3.981 -9.149 305 HE1 PHE 53 HE2 PHE 53 0.545 3.415 -13.687 306 HE2 PHE 53 HE1 PHE 53 -1.025 1.728 -10.107 307 HZ PHE 53 HZ PHE 53 -0.127 1.443 -12.381 308 H ASP 54 H ASP 54 -1.123 8.670 -10.110 309 HA ASP 54 HA ASP 54 0.043 10.409 -8.050 310 HB2 ASP 54 1HB ASP 54 0.651 11.180 -10.356 311 HB3 ASP 54 2HB ASP 54 -1.061 11.460 -10.651 312 H ASN 55 H ASN 55 -2.823 9.365 -9.721 313 HA ASN 55 HA ASN 55 -4.468 11.075 -8.017 314 HB2 ASN 55 1HB ASN 55 -5.087 9.683 -10.621 315 HB3 ASN 55 2HB ASN 55 -6.325 10.433 -9.617 316 HD21 ASN 55 2HD2 ASN 55 -3.620 10.968 -11.713 317 HD22 ASN 55 1HD2 ASN 55 -3.832 12.674 -11.889 318 H THR 56 H THR 56 -3.165 8.180 -7.833 319 HA THR 56 HA THR 56 -5.511 6.689 -7.031 320 HB THR 56 HB THR 56 -3.936 4.866 -6.535 321 HG1 THR 56 HG1 THR 56 -1.745 5.148 -6.733 322 HG21 THR 56 3HG2 THR 56 -3.374 6.166 -9.188 323 HG22 THR 56 1HG2 THR 56 -4.736 5.109 -8.825 324 HG23 THR 56 2HG2 THR 56 -3.093 4.475 -8.786 325 HA PRO 57 HA PRO 57 -5.527 8.312 -3.049 326 HB2 PRO 57 1HB PRO 57 -5.772 5.981 -1.490 327 HB3 PRO 57 2HB PRO 57 -7.105 6.890 -2.200 328 HG2 PRO 57 1HG PRO 57 -5.743 4.435 -3.199 329 HG3 PRO 57 2HG PRO 57 -7.458 4.874 -3.275 330 HD2 PRO 57 1HD PRO 57 -5.882 5.062 -5.428 331 HD3 PRO 57 2HD PRO 57 -7.141 6.275 -5.106 332 H ALA 58 H ALA 58 -3.590 5.421 -3.395 333 HA ALA 58 HA ALA 58 -1.745 5.750 -1.334 334 HB1 ALA 58 3HB ALA 58 -0.303 4.333 -2.652 335 HB2 ALA 58 1HB ALA 58 -1.267 4.670 -4.092 336 HB3 ALA 58 2HB ALA 58 -1.968 3.762 -2.751 337 H ALA 59 H ALA 59 -1.684 6.935 -4.683 338 HA ALA 59 HA ALA 59 0.858 8.209 -4.395 339 HB1 ALA 59 3HB ALA 59 0.506 9.004 -6.562 340 HB2 ALA 59 1HB ALA 59 -1.249 8.939 -6.396 341 HB3 ALA 59 2HB ALA 59 -0.324 7.448 -6.520 342 H LEU 60 H LEU 60 -2.439 9.481 -4.741 343 HA LEU 60 HA LEU 60 -1.562 12.094 -4.580 344 HB2 LEU 60 1HB LEU 60 -3.572 12.796 -5.059 345 HB3 LEU 60 2HB LEU 60 -3.614 11.173 -5.658 346 HG LEU 60 HG LEU 60 -5.704 11.563 -4.859 347 HD11 LEU 60 1HD1 LEU 60 -5.481 10.169 -2.634 348 HD12 LEU 60 2HD1 LEU 60 -3.848 9.975 -3.335 349 HD13 LEU 60 3HD1 LEU 60 -5.279 9.519 -4.273 350 HD21 LEU 60 3HD2 LEU 60 -4.356 12.877 -2.542 351 HD22 LEU 60 1HD2 LEU 60 -6.031 12.318 -2.443 352 HD23 LEU 60 2HD2 LEU 60 -5.575 13.535 -3.635 353 H ASP 61 H ASP 61 -3.689 10.840 -2.065 354 HA ASP 61 HA ASP 61 -2.596 12.889 -0.286 355 HB2 ASP 61 1HB ASP 61 -5.098 12.449 -0.484 356 HB3 ASP 61 2HB ASP 61 -4.806 10.900 0.294 357 H GLY 62 H GLY 62 -1.908 10.026 -1.402 358 HA2 GLY 62 1HA GLY 62 -1.630 8.411 0.984 359 HA3 GLY 62 2HA GLY 62 -0.996 8.022 -0.603 360 H THR 63 H THR 63 0.876 9.531 -1.210 361 HA THR 63 HA THR 63 2.957 10.356 -0.965 362 HB THR 63 HB THR 63 3.774 11.352 1.028 363 HG1 THR 63 HG1 THR 63 1.778 9.827 2.376 364 HG21 THR 63 3HG2 THR 63 1.807 12.723 1.738 365 HG22 THR 63 1HG2 THR 63 0.796 11.633 0.785 366 HG23 THR 63 2HG2 THR 63 2.035 12.605 -0.009 367 H VAL 64 H VAL 64 2.061 7.594 -0.687 368 HA VAL 64 HA VAL 64 4.490 6.366 0.422 369 HB VAL 64 HB VAL 64 3.348 4.200 -0.034 370 HG11 VAL 64 1HG1 VAL 64 1.651 6.101 1.574 371 HG12 VAL 64 2HG1 VAL 64 3.160 5.382 2.145 372 HG13 VAL 64 3HG1 VAL 64 1.778 4.348 1.774 373 HG21 VAL 64 3HG2 VAL 64 1.956 5.104 -1.897 374 HG22 VAL 64 1HG2 VAL 64 0.950 5.896 -0.685 375 HG23 VAL 64 2HG2 VAL 64 1.060 4.133 -0.722 376 H ALA 65 H ALA 65 5.183 7.838 -1.578 377 HA ALA 65 HA ALA 65 4.720 6.643 -4.154 378 HB1 ALA 65 3HB ALA 65 4.659 9.063 -3.904 379 HB2 ALA 65 1HB ALA 65 5.923 8.576 -5.032 380 HB3 ALA 65 2HB ALA 65 6.346 9.062 -3.391 381 H ALA 66 H ALA 66 6.745 6.753 -5.663 382 HA ALA 66 HA ALA 66 8.189 4.453 -5.077 383 HB1 ALA 66 3HB ALA 66 8.921 6.584 -7.075 384 HB2 ALA 66 1HB ALA 66 7.726 5.314 -7.343 385 HB3 ALA 66 2HB ALA 66 9.423 4.893 -7.099 386 H GLY 67 H GLY 67 10.069 4.038 -4.099 387 HA2 GLY 67 1HA GLY 67 12.377 4.743 -3.670 388 HA3 GLY 67 2HA GLY 67 11.743 6.346 -3.333 389 H ASP 68 H ASP 68 9.434 4.723 -1.962 390 HA ASP 68 HA ASP 68 10.775 4.652 0.637 391 HB2 ASP 68 1HB ASP 68 7.877 4.724 -0.190 392 HB3 ASP 68 2HB ASP 68 8.367 4.383 1.461 393 H GLU 69 H GLU 69 9.466 2.929 2.115 394 HA GLU 69 HA GLU 69 9.424 0.369 0.683 395 HB2 GLU 69 1HB GLU 69 10.740 0.878 3.354 396 HB3 GLU 69 2HB GLU 69 10.571 -0.694 2.587 397 HG2 GLU 69 1HG GLU 69 11.955 0.104 0.712 398 HG3 GLU 69 2HG GLU 69 12.173 1.636 1.555 399 H ILE 70 H ILE 70 8.167 -1.295 1.757 400 HA ILE 70 HA ILE 70 6.057 -0.158 3.486 401 HB ILE 70 HB ILE 70 5.586 -2.258 1.369 402 HG12 ILE 70 1HG1 ILE 70 6.228 -0.127 0.301 403 HG13 ILE 70 2HG1 ILE 70 4.550 -0.549 -0.015 404 HG21 ILE 70 1HG2 ILE 70 3.218 -1.730 1.736 405 HG22 ILE 70 2HG2 ILE 70 3.680 -0.591 3.001 406 HG23 ILE 70 3HG2 ILE 70 4.004 -2.314 3.202 407 HD11 ILE 70 3HD1 ILE 70 4.766 1.808 0.429 408 HD12 ILE 70 1HD1 ILE 70 5.534 1.469 1.980 409 HD13 ILE 70 2HD1 ILE 70 3.848 1.027 1.719 410 H THR 71 H THR 71 5.331 -1.492 5.166 411 HA THR 71 HA THR 71 6.716 -4.076 5.401 412 HB THR 71 HB THR 71 8.001 -2.522 6.718 413 HG1 THR 71 HG1 THR 71 6.399 -4.394 8.094 414 HG21 THR 71 3HG2 THR 71 6.329 -0.788 7.067 415 HG22 THR 71 1HG2 THR 71 7.018 -1.295 8.609 416 HG23 THR 71 2HG2 THR 71 5.417 -1.859 8.132 417 H GLY 72 H GLY 72 3.722 -2.643 5.334 418 HA2 GLY 72 1HA GLY 72 2.546 -4.992 6.534 419 HA3 GLY 72 2HA GLY 72 2.266 -3.528 7.448 420 H VAL 73 H VAL 73 0.503 -5.404 5.954 421 HA VAL 73 HA VAL 73 -0.692 -3.638 3.965 422 HB VAL 73 HB VAL 73 -0.472 -5.656 2.866 423 HG11 VAL 73 1HG1 VAL 73 -0.478 -7.844 3.902 424 HG12 VAL 73 2HG1 VAL 73 -0.988 -7.150 5.440 425 HG13 VAL 73 3HG1 VAL 73 0.614 -6.790 4.802 426 HG21 VAL 73 3HG2 VAL 73 -2.853 -5.191 2.992 427 HG22 VAL 73 1HG2 VAL 73 -2.942 -6.110 4.493 428 HG23 VAL 73 2HG2 VAL 73 -2.546 -6.928 2.980 429 H ASN 74 H ASN 74 -2.338 -2.456 4.716 430 HA ASN 74 HA ASN 74 -4.147 -1.750 5.899 431 HB2 ASN 74 1HB ASN 74 -5.087 -3.744 4.613 432 HB3 ASN 74 2HB ASN 74 -4.933 -4.659 6.108 433 HD21 ASN 74 2HD2 ASN 74 -7.082 -4.980 6.434 434 HD22 ASN 74 1HD2 ASN 74 -8.195 -3.711 6.803 435 H GLY 75 H GLY 75 -1.729 -2.466 7.379 436 HA2 GLY 75 1HA GLY 75 -1.432 -1.870 9.665 437 HA3 GLY 75 2HA GLY 75 -3.002 -2.567 10.016 438 H ARG 76 H ARG 76 -2.126 -5.023 8.333 439 HA ARG 76 HA ARG 76 -0.728 -6.269 10.550 440 HB2 ARG 76 1HB ARG 76 -1.522 -8.351 9.503 441 HB3 ARG 76 2HB ARG 76 -2.813 -7.299 10.011 442 HG2 ARG 76 1HG ARG 76 -2.859 -6.505 7.606 443 HG3 ARG 76 2HG ARG 76 -1.852 -7.904 7.241 444 HD2 ARG 76 1HD ARG 76 -4.601 -7.937 8.484 445 HD3 ARG 76 2HD ARG 76 -4.182 -8.436 6.847 446 HE ARG 76 HE ARG 76 -2.913 -9.840 9.078 447 HH11 ARG 76 1HH1 ARG 76 -5.313 -9.835 6.525 448 HH12 ARG 76 2HH1 ARG 76 -5.533 -11.553 6.557 449 HH21 ARG 76 1HH2 ARG 76 -3.201 -12.113 9.113 450 HH22 ARG 76 2HH2 ARG 76 -4.325 -12.848 8.014 451 H SER 77 H SER 77 1.145 -7.445 10.255 452 HA SER 77 HA SER 77 2.977 -6.442 8.401 453 HB2 SER 77 1HB SER 77 3.170 -9.068 9.887 454 HB3 SER 77 2HB SER 77 4.506 -8.096 9.275 455 HG SER 77 HG SER 77 3.764 -6.421 10.740 456 H ILE 78 H ILE 78 4.003 -7.381 6.609 457 HA ILE 78 HA ILE 78 2.241 -9.087 5.023 458 HB ILE 78 HB ILE 78 3.536 -8.550 3.119 459 HG12 ILE 78 1HG1 ILE 78 5.782 -8.807 4.089 460 HG13 ILE 78 2HG1 ILE 78 5.643 -7.328 3.151 461 HG21 ILE 78 1HG2 ILE 78 3.625 -6.027 3.208 462 HG22 ILE 78 2HG2 ILE 78 3.151 -6.169 4.902 463 HG23 ILE 78 3HG2 ILE 78 2.088 -6.775 3.633 464 HD11 ILE 78 3HD1 ILE 78 5.622 -7.562 6.149 465 HD12 ILE 78 1HD1 ILE 78 5.387 -6.063 5.251 466 HD13 ILE 78 2HD1 ILE 78 6.921 -6.925 5.144 467 H LYS 79 H LYS 79 5.032 -9.353 6.911 468 HA LYS 79 HA LYS 79 6.600 -11.128 5.420 469 HB2 LYS 79 1HB LYS 79 7.523 -9.800 7.201 470 HB3 LYS 79 2HB LYS 79 6.481 -10.576 8.382 471 HG2 LYS 79 1HG LYS 79 7.643 -12.686 8.056 472 HG3 LYS 79 2HG LYS 79 8.650 -11.953 6.809 473 HD2 LYS 79 1HD LYS 79 8.558 -11.025 9.674 474 HD3 LYS 79 2HD LYS 79 9.755 -12.150 9.035 475 HE2 LYS 79 1HE LYS 79 10.413 -10.414 7.381 476 HE3 LYS 79 2HE LYS 79 9.306 -9.296 8.176 477 HZ1 LYS 79 3HZ LYS 79 11.656 -10.606 9.429 478 HZ2 LYS 79 1HZ LYS 79 10.583 -9.563 10.216 479 HZ3 LYS 79 2HZ LYS 79 11.553 -8.983 8.961 480 H GLY 80 H GLY 80 3.852 -11.687 7.452 481 HA2 GLY 80 1HA GLY 80 4.345 -14.441 7.966 482 HA3 GLY 80 2HA GLY 80 2.810 -13.610 8.155 483 H LYS 81 H LYS 81 3.284 -12.792 5.141 484 HA LYS 81 HA LYS 81 2.465 -15.364 4.016 485 HB2 LYS 81 1HB LYS 81 0.521 -14.396 2.889 486 HB3 LYS 81 2HB LYS 81 0.370 -14.271 4.632 487 HG2 LYS 81 1HG LYS 81 1.305 -12.005 2.898 488 HG3 LYS 81 2HG LYS 81 -0.388 -12.285 3.296 489 HD2 LYS 81 1HD LYS 81 1.726 -11.990 5.411 490 HD3 LYS 81 2HD LYS 81 0.892 -10.609 4.713 491 HE2 LYS 81 1HE LYS 81 -1.213 -11.382 5.511 492 HE3 LYS 81 2HE LYS 81 -0.529 -12.937 5.977 493 HZ1 LYS 81 3HZ LYS 81 -0.909 -11.312 7.822 494 HZ2 LYS 81 1HZ LYS 81 0.347 -10.376 7.185 495 HZ3 LYS 81 2HZ LYS 81 0.650 -11.948 7.738 496 H THR 82 H THR 82 1.612 -13.386 1.623 497 HA THR 82 HA THR 82 4.344 -13.103 0.621 498 HB THR 82 HB THR 82 3.737 -14.238 -1.517 499 HG1 THR 82 HG1 THR 82 1.545 -15.328 -0.051 500 HG21 THR 82 3HG2 THR 82 3.571 -15.979 0.945 501 HG22 THR 82 1HG2 THR 82 5.055 -15.415 0.177 502 HG23 THR 82 2HG2 THR 82 3.985 -16.525 -0.679 503 H LYS 83 H LYS 83 4.497 -11.889 -1.341 504 HA LYS 83 HA LYS 83 3.261 -9.462 -1.305 505 HB2 LYS 83 1HB LYS 83 3.883 -9.790 -3.988 506 HB3 LYS 83 2HB LYS 83 4.966 -9.205 -2.738 507 HG2 LYS 83 1HG LYS 83 5.908 -11.337 -2.424 508 HG3 LYS 83 2HG LYS 83 4.668 -12.104 -3.419 509 HD2 LYS 83 1HD LYS 83 5.513 -10.879 -5.373 510 HD3 LYS 83 2HD LYS 83 6.764 -10.149 -4.359 511 HE2 LYS 83 1HE LYS 83 7.660 -12.333 -3.857 512 HE3 LYS 83 2HE LYS 83 6.387 -13.095 -4.803 513 HZ1 LYS 83 3HZ LYS 83 8.579 -11.375 -5.802 514 HZ2 LYS 83 1HZ LYS 83 7.261 -11.854 -6.747 515 HZ3 LYS 83 2HZ LYS 83 8.326 -13.012 -6.134 516 H VAL 84 H VAL 84 2.416 -12.091 -3.575 517 HA VAL 84 HA VAL 84 0.354 -10.807 -4.857 518 HB VAL 84 HB VAL 84 1.374 -12.835 -5.689 519 HG11 VAL 84 1HG1 VAL 84 0.014 -14.216 -3.384 520 HG12 VAL 84 2HG1 VAL 84 1.751 -13.998 -3.594 521 HG13 VAL 84 3HG1 VAL 84 0.850 -15.022 -4.712 522 HG21 VAL 84 3HG2 VAL 84 -0.833 -12.272 -6.454 523 HG22 VAL 84 1HG2 VAL 84 -1.543 -13.162 -5.111 524 HG23 VAL 84 2HG2 VAL 84 -0.641 -14.021 -6.358 525 H GLU 85 H GLU 85 0.294 -12.717 -1.885 526 HA GLU 85 HA GLU 85 -2.532 -12.727 -1.626 527 HB2 GLU 85 1HB GLU 85 -0.391 -13.202 0.449 528 HB3 GLU 85 2HB GLU 85 -2.098 -13.573 0.646 529 HG2 GLU 85 1HG GLU 85 -1.907 -15.106 -1.304 530 HG3 GLU 85 2HG GLU 85 -0.171 -14.824 -1.286 531 H VAL 86 H VAL 86 0.021 -10.598 -0.418 532 HA VAL 86 HA VAL 86 -1.704 -9.307 1.456 533 HB VAL 86 HB VAL 86 0.034 -7.651 1.739 534 HG11 VAL 86 1HG1 VAL 86 1.366 -10.333 1.515 535 HG12 VAL 86 2HG1 VAL 86 0.177 -9.954 2.770 536 HG13 VAL 86 3HG1 VAL 86 1.688 -9.049 2.686 537 HG21 VAL 86 3HG2 VAL 86 1.483 -9.041 -0.487 538 HG22 VAL 86 1HG2 VAL 86 2.149 -7.771 0.539 539 HG23 VAL 86 2HG2 VAL 86 0.804 -7.411 -0.546 540 H ALA 87 H ALA 87 -0.521 -8.418 -1.764 541 HA ALA 87 HA ALA 87 -1.982 -6.082 -2.175 542 HB1 ALA 87 3HB ALA 87 -1.446 -8.275 -4.171 543 HB2 ALA 87 1HB ALA 87 -0.399 -6.901 -3.821 544 HB3 ALA 87 2HB ALA 87 -1.982 -6.638 -4.556 545 H LYS 88 H LYS 88 -3.017 -9.462 -2.376 546 HA LYS 88 HA LYS 88 -5.679 -8.952 -3.158 547 HB2 LYS 88 1HB LYS 88 -4.821 -11.197 -3.271 548 HB3 LYS 88 2HB LYS 88 -4.539 -11.221 -1.538 549 HG2 LYS 88 1HG LYS 88 -6.842 -11.223 -1.077 550 HG3 LYS 88 2HG LYS 88 -7.258 -10.836 -2.743 551 HD2 LYS 88 1HD LYS 88 -6.339 -12.983 -3.452 552 HD3 LYS 88 2HD LYS 88 -5.984 -13.388 -1.772 553 HE2 LYS 88 1HE LYS 88 -8.713 -12.867 -2.951 554 HE3 LYS 88 2HE LYS 88 -8.060 -14.441 -2.502 555 HZ1 LYS 88 3HZ LYS 88 -9.419 -13.804 -0.732 556 HZ2 LYS 88 1HZ LYS 88 -8.849 -12.211 -0.720 557 HZ3 LYS 88 2HZ LYS 88 -7.856 -13.472 -0.184 558 H MET 89 H MET 89 -4.182 -9.387 0.021 559 HA MET 89 HA MET 89 -6.416 -9.080 1.623 560 HB2 MET 89 1HB MET 89 -3.565 -8.294 2.131 561 HB3 MET 89 2HB MET 89 -4.794 -8.322 3.383 562 HG2 MET 89 1HG MET 89 -5.142 -10.722 2.875 563 HG3 MET 89 2HG MET 89 -3.793 -10.645 1.758 564 HE1 MET 89 3HE MET 89 -2.570 -12.750 4.859 565 HE2 MET 89 1HE MET 89 -2.835 -12.766 3.116 566 HE3 MET 89 2HE MET 89 -4.209 -12.664 4.215 567 H ILE 90 H ILE 90 -4.290 -6.612 0.278 568 HA ILE 90 HA ILE 90 -5.497 -4.365 1.437 569 HB ILE 90 HB ILE 90 -4.007 -4.737 -1.147 570 HG12 ILE 90 1HG1 ILE 90 -2.743 -4.922 0.972 571 HG13 ILE 90 2HG1 ILE 90 -2.221 -3.556 -0.007 572 HG21 ILE 90 1HG2 ILE 90 -3.995 -2.411 -1.555 573 HG22 ILE 90 2HG2 ILE 90 -4.794 -2.065 -0.017 574 HG23 ILE 90 3HG2 ILE 90 -5.685 -2.869 -1.312 575 HD11 ILE 90 3HD1 ILE 90 -4.012 -3.431 2.411 576 HD12 ILE 90 1HD1 ILE 90 -3.542 -2.055 1.413 577 HD13 ILE 90 2HD1 ILE 90 -2.321 -2.941 2.326 578 H GLN 91 H GLN 91 -6.096 -5.814 -1.797 579 HA GLN 91 HA GLN 91 -8.212 -3.993 -2.336 580 HB2 GLN 91 1HB GLN 91 -8.520 -5.238 -4.364 581 HB3 GLN 91 2HB GLN 91 -6.807 -5.020 -4.084 582 HG2 GLN 91 1HG GLN 91 -6.759 -7.325 -3.147 583 HG3 GLN 91 2HG GLN 91 -8.426 -7.515 -3.675 584 HE21 GLN 91 2HE2 GLN 91 -5.120 -7.189 -4.673 585 HE22 GLN 91 1HE2 GLN 91 -5.355 -7.690 -6.311 586 H GLU 92 H GLU 92 -8.040 -7.029 -0.724 587 HA GLU 92 HA GLU 92 -10.674 -7.957 -1.134 588 HB2 GLU 92 1HB GLU 92 -8.887 -9.395 -0.340 589 HB3 GLU 92 2HB GLU 92 -8.738 -8.453 1.128 590 HG2 GLU 92 1HG GLU 92 -9.918 -10.414 1.658 591 HG3 GLU 92 2HG GLU 92 -11.070 -9.092 1.658 592 H VAL 93 H VAL 93 -9.220 -6.241 1.612 593 HA VAL 93 HA VAL 93 -11.280 -6.313 3.389 594 HB VAL 93 HB VAL 93 -10.417 -4.289 4.442 595 HG11 VAL 93 1HG1 VAL 93 -8.282 -6.140 3.396 596 HG12 VAL 93 2HG1 VAL 93 -9.289 -6.396 4.823 597 HG13 VAL 93 3HG1 VAL 93 -8.120 -5.075 4.794 598 HG21 VAL 93 3HG2 VAL 93 -8.541 -3.058 3.461 599 HG22 VAL 93 1HG2 VAL 93 -9.988 -2.936 2.458 600 HG23 VAL 93 2HG2 VAL 93 -8.679 -4.021 1.988 601 H LYS 94 H LYS 94 -11.062 -4.123 0.644 602 HA LYS 94 HA LYS 94 -12.705 -3.009 -0.477 603 HB2 LYS 94 1HB LYS 94 -14.134 -4.930 -0.094 604 HB3 LYS 94 2HB LYS 94 -14.511 -4.371 1.526 605 HG2 LYS 94 1HG LYS 94 -16.391 -3.868 0.214 606 HG3 LYS 94 2HG LYS 94 -15.550 -2.337 0.450 607 HD2 LYS 94 1HD LYS 94 -14.541 -2.552 -1.763 608 HD3 LYS 94 2HD LYS 94 -15.370 -4.088 -1.999 609 HE2 LYS 94 1HE LYS 94 -16.681 -1.403 -1.602 610 HE3 LYS 94 2HE LYS 94 -16.540 -2.272 -3.130 611 HZ1 LYS 94 3HZ LYS 94 -18.705 -2.629 -2.221 612 HZ2 LYS 94 1HZ LYS 94 -18.069 -3.131 -0.737 613 HZ3 LYS 94 2HZ LYS 94 -17.847 -4.080 -2.115 614 H GLY 95 H GLY 95 -12.838 -0.859 -0.388 615 HA2 GLY 95 1HA GLY 95 -14.134 0.996 0.442 616 HA3 GLY 95 2HA GLY 95 -14.032 0.297 2.047 617 H GLU 96 H GLU 96 -11.418 -0.078 2.526 618 HA GLU 96 HA GLU 96 -10.253 2.563 2.171 619 HB2 GLU 96 1HB GLU 96 -9.864 2.832 4.531 620 HB3 GLU 96 2HB GLU 96 -11.583 2.554 4.272 621 HG2 GLU 96 1HG GLU 96 -11.356 0.268 4.926 622 HG3 GLU 96 2HG GLU 96 -9.620 0.427 5.060 623 H VAL 97 H VAL 97 -8.121 2.537 3.488 624 HA VAL 97 HA VAL 97 -6.679 0.017 3.321 625 HB VAL 97 HB VAL 97 -4.916 0.796 1.891 626 HG11 VAL 97 1HG1 VAL 97 -5.982 1.020 -0.231 627 HG12 VAL 97 2HG1 VAL 97 -7.461 1.626 0.514 628 HG13 VAL 97 3HG1 VAL 97 -6.968 -0.053 0.762 629 HG21 VAL 97 3HG2 VAL 97 -4.899 3.016 0.860 630 HG22 VAL 97 1HG2 VAL 97 -4.825 3.110 2.620 631 HG23 VAL 97 2HG2 VAL 97 -6.339 3.449 1.781 632 H THR 98 H THR 98 -4.808 0.002 4.615 633 HA THR 98 HA THR 98 -3.887 2.545 5.723 634 HB THR 98 HB THR 98 -3.412 1.177 7.898 635 HG1 THR 98 HG1 THR 98 -5.777 -0.145 7.055 636 HG21 THR 98 3HG2 THR 98 -5.559 1.900 8.852 637 HG22 THR 98 1HG2 THR 98 -6.181 2.173 7.225 638 HG23 THR 98 2HG2 THR 98 -4.839 3.144 7.832 639 H ILE 99 H ILE 99 -1.992 2.639 4.696 640 HA ILE 99 HA ILE 99 -0.422 0.236 4.253 641 HB ILE 99 HB ILE 99 1.203 2.150 3.315 642 HG12 ILE 99 1HG1 ILE 99 -0.560 3.888 4.042 643 HG13 ILE 99 2HG1 ILE 99 0.140 4.031 2.440 644 HG21 ILE 99 1HG2 ILE 99 0.269 1.752 1.096 645 HG22 ILE 99 2HG2 ILE 99 -1.162 1.026 1.836 646 HG23 ILE 99 3HG2 ILE 99 0.419 0.265 2.035 647 HD11 ILE 99 3HD1 ILE 99 -2.494 2.694 2.945 648 HD12 ILE 99 1HD1 ILE 99 -1.813 3.207 1.403 649 HD13 ILE 99 2HD1 ILE 99 -2.323 4.410 2.590 650 H HIS 100 H HIS 100 0.910 -0.454 5.787 651 HA HIS 100 HA HIS 100 2.148 1.497 7.577 652 HB2 HIS 100 1HB HIS 100 1.826 -1.475 7.623 653 HB3 HIS 100 2HB HIS 100 3.217 -0.786 8.452 654 HD1 HIS 100 HD1 HIS 100 2.809 -0.259 10.820 655 HD2 HIS 100 HD2 HIS 100 -0.696 -0.128 8.590 656 HE1 HIS 100 HE1 HIS 100 0.974 0.197 12.476 657 HE2 HIS 100 HE2 HIS 100 -1.153 0.133 11.126 658 H TYR 101 H TYR 101 4.100 2.266 7.183 659 HA TYR 101 HA TYR 101 5.758 0.892 5.184 660 HB2 TYR 101 1HB TYR 101 6.177 3.168 4.170 661 HB3 TYR 101 2HB TYR 101 4.548 2.538 3.943 662 HD1 TYR 101 HD1 TYR 101 6.462 4.694 6.335 663 HD2 TYR 101 HD2 TYR 101 2.774 3.950 4.356 664 HE1 TYR 101 HE1 TYR 101 5.533 6.745 7.315 665 HE2 TYR 101 HE2 TYR 101 1.836 5.998 5.329 666 HH TYR 101 HH TYR 101 3.792 8.340 6.916 667 H ASN 102 H ASN 102 7.772 2.551 4.903 668 HA ASN 102 HA ASN 102 8.644 3.680 7.405 669 HB2 ASN 102 1HB ASN 102 10.767 2.448 7.471 670 HB3 ASN 102 2HB ASN 102 9.400 1.362 7.647 671 HD21 ASN 102 2HD2 ASN 102 12.042 2.328 5.631 672 HD22 ASN 102 1HD2 ASN 102 11.964 0.995 4.535 673 H LYS 103 H LYS 103 10.589 5.056 7.047 674 HA LYS 103 HA LYS 103 10.469 6.084 4.305 675 HB2 LYS 103 1HB LYS 103 10.197 7.705 6.842 676 HB3 LYS 103 2HB LYS 103 10.238 8.356 5.210 677 HG2 LYS 103 1HG LYS 103 8.107 6.613 6.421 678 HG3 LYS 103 2HG LYS 103 7.970 8.310 5.955 679 HD2 LYS 103 1HD LYS 103 8.709 7.348 3.614 680 HD3 LYS 103 2HD LYS 103 8.015 5.867 4.265 681 HE2 LYS 103 1HE LYS 103 5.915 6.968 4.679 682 HE3 LYS 103 2HE LYS 103 6.586 8.508 4.174 683 HZ1 LYS 103 3HZ LYS 103 5.309 7.661 2.388 684 HZ2 LYS 103 1HZ LYS 103 6.061 6.147 2.471 685 HZ3 LYS 103 2HZ LYS 103 6.936 7.492 1.938 686 H LEU 104 H LEU 104 12.401 6.236 3.491 687 HA LEU 104 HA LEU 104 14.475 7.730 4.679 688 HB2 LEU 104 1HB LEU 104 16.114 6.116 5.158 689 HB3 LEU 104 2HB LEU 104 14.663 5.539 5.943 690 HG LEU 104 HG LEU 104 16.006 4.444 3.479 691 HD11 LEU 104 1HD1 LEU 104 16.031 2.390 4.817 692 HD12 LEU 104 2HD1 LEU 104 15.263 3.260 6.145 693 HD13 LEU 104 3HD1 LEU 104 16.883 3.712 5.613 694 HD21 LEU 104 3HD2 LEU 104 13.275 3.749 4.551 695 HD22 LEU 104 1HD2 LEU 104 14.168 2.796 3.364 696 HD23 LEU 104 2HD2 LEU 104 13.652 4.435 2.967 697 H GLN 105 H GLN 105 16.442 7.686 3.241 698 HA GLN 105 HA GLN 105 15.803 6.703 0.561 699 HB2 GLN 105 1HB GLN 105 15.247 9.139 0.755 700 HB3 GLN 105 2HB GLN 105 16.937 9.453 1.117 701 HG2 GLN 105 1HG GLN 105 17.586 8.619 -1.062 702 HG3 GLN 105 2HG GLN 105 15.910 8.215 -1.425 703 HE21 GLN 105 2HE2 GLN 105 14.937 10.662 -0.094 704 HE22 GLN 105 1HE2 GLN 105 15.268 11.950 -1.201 705 H ALA 106 H ALA 106 17.241 5.035 0.983 706 HA ALA 106 HA ALA 106 19.990 5.612 1.669 707 HB1 ALA 106 3HB ALA 106 20.289 3.193 1.596 708 HB2 ALA 106 1HB ALA 106 18.674 3.002 0.913 709 HB3 ALA 106 2HB ALA 106 18.869 3.616 2.555 710 H ASP 107 H ASP 107 21.553 4.051 0.213 711 HA ASP 107 HA ASP 107 21.121 4.924 -2.580 712 HB2 ASP 107 1HB ASP 107 23.721 5.000 -1.014 713 HB3 ASP 107 2HB ASP 107 23.591 5.284 -2.745 714 HA PRO 108 HA PRO 108 21.512 0.846 -4.078 715 HB2 PRO 108 1HB PRO 108 24.187 1.706 -5.119 716 HB3 PRO 108 2HB PRO 108 22.949 0.724 -5.904 717 HG2 PRO 108 1HG PRO 108 23.200 3.335 -6.438 718 HG3 PRO 108 2HG PRO 108 21.617 2.545 -6.392 719 HD2 PRO 108 1HD PRO 108 22.777 4.497 -4.531 720 HD3 PRO 108 2HD PRO 108 21.084 4.011 -4.741 721 H LYS 109 H LYS 109 24.769 1.929 -3.084 722 HA LYS 109 HA LYS 109 25.759 -0.503 -2.171 723 HB2 LYS 109 1HB LYS 109 27.314 0.875 -0.798 724 HB3 LYS 109 2HB LYS 109 27.213 1.393 -2.474 725 HG2 LYS 109 1HG LYS 109 25.769 3.233 -1.850 726 HG3 LYS 109 2HG LYS 109 25.738 2.676 -0.178 727 HD2 LYS 109 1HD LYS 109 27.281 4.500 -0.336 728 HD3 LYS 109 2HD LYS 109 28.207 3.021 -0.092 729 HE2 LYS 109 1HE LYS 109 28.752 2.930 -2.444 730 HE3 LYS 109 2HE LYS 109 27.726 4.327 -2.765 731 HZ1 LYS 109 3HZ LYS 109 30.010 5.005 -2.662 732 HZ2 LYS 109 1HZ LYS 109 30.209 4.303 -1.134 733 HZ3 LYS 109 2HZ LYS 109 29.195 5.644 -1.327 734 H GLN 110 H GLN 110 24.110 2.018 -0.312 735 HA GLN 110 HA GLN 110 24.186 0.467 2.114 736 HB2 GLN 110 1HB GLN 110 23.287 3.224 1.414 737 HB3 GLN 110 2HB GLN 110 23.040 2.536 3.001 738 HG2 GLN 110 1HG GLN 110 25.647 3.070 1.634 739 HG3 GLN 110 2HG GLN 110 24.992 3.886 3.041 740 HE21 GLN 110 2HE2 GLN 110 25.053 2.871 5.040 741 HE22 GLN 110 1HE2 GLN 110 26.030 1.478 5.341 742 H LEU 111 H LEU 111 22.269 0.626 -0.497 743 HA LEU 111 HA LEU 111 19.743 0.299 0.876 744 HB2 LEU 111 1HB LEU 111 19.894 1.662 -1.161 745 HB3 LEU 111 2HB LEU 111 20.491 0.282 -2.049 746 HG LEU 111 HG LEU 111 18.040 0.967 -2.375 747 HD11 LEU 111 1HD1 LEU 111 18.671 -1.884 -1.634 748 HD12 LEU 111 2HD1 LEU 111 18.923 -1.135 -3.210 749 HD13 LEU 111 3HD1 LEU 111 17.287 -1.347 -2.586 750 HD21 LEU 111 3HD2 LEU 111 17.747 -0.474 0.256 751 HD22 LEU 111 1HD2 LEU 111 16.449 0.150 -0.762 752 HD23 LEU 111 2HD2 LEU 111 17.564 1.268 0.024 753 H GLU 112 H GLU 112 21.893 -1.488 -1.307 754 HA GLU 112 HA GLU 112 20.503 -3.957 -1.136 755 HB2 GLU 112 1HB GLU 112 22.492 -4.923 -2.167 756 HB3 GLU 112 2HB GLU 112 22.068 -3.413 -2.969 757 HG2 GLU 112 1HG GLU 112 23.812 -2.245 -1.943 758 HG3 GLU 112 2HG GLU 112 24.060 -3.518 -0.748 759 H VAL 113 H VAL 113 22.801 -2.359 0.908 760 HA VAL 113 HA VAL 113 23.782 -4.659 2.247 761 HB VAL 113 HB VAL 113 24.778 -2.298 2.231 762 HG11 VAL 113 1HG1 VAL 113 22.836 -1.091 3.004 763 HG12 VAL 113 2HG1 VAL 113 24.182 -0.886 4.127 764 HG13 VAL 113 3HG1 VAL 113 22.863 -1.990 4.518 765 HG21 VAL 113 3HG2 VAL 113 25.735 -4.137 3.479 766 HG22 VAL 113 1HG2 VAL 113 24.606 -3.844 4.800 767 HG23 VAL 113 2HG2 VAL 113 25.835 -2.640 4.409 768 H LEU 114 H LEU 114 21.042 -2.597 2.630 769 HA LEU 114 HA LEU 114 20.175 -3.730 5.126 770 HB2 LEU 114 1HB LEU 114 19.675 -1.389 4.306 771 HB3 LEU 114 2HB LEU 114 18.574 -2.101 3.147 772 HG LEU 114 HG LEU 114 18.194 -2.651 6.071 773 HD11 LEU 114 1HD1 LEU 114 16.761 -0.677 6.232 774 HD12 LEU 114 2HD1 LEU 114 17.246 -0.192 4.607 775 HD13 LEU 114 3HD1 LEU 114 18.436 -0.230 5.906 776 HD21 LEU 114 3HD2 LEU 114 16.844 -3.891 4.454 777 HD22 LEU 114 1HD2 LEU 114 16.294 -2.374 3.741 778 HD23 LEU 114 2HD2 LEU 114 15.844 -2.784 5.397 779 H PHE 115 H PHE 115 19.630 -4.230 1.713 780 HA PHE 115 HA PHE 115 17.367 -5.981 2.088 781 HB2 PHE 115 1HB PHE 115 17.682 -4.606 0.045 782 HB3 PHE 115 2HB PHE 115 19.110 -5.554 -0.353 783 HD1 PHE 115 HD1 PHE 115 15.450 -5.816 0.190 784 HD2 PHE 115 HD2 PHE 115 18.926 -7.538 -1.566 785 HE1 PHE 115 HE1 PHE 115 14.037 -7.432 -1.012 786 HE2 PHE 115 HE2 PHE 115 17.520 -9.157 -2.772 787 HZ PHE 115 HZ PHE 115 15.071 -9.105 -2.497 788 H GLN 116 H GLN 116 20.783 -6.358 1.301 789 HA GLN 116 HA GLN 116 22.206 -8.092 1.275 790 HB2 GLN 116 1HB GLN 116 21.534 -8.283 3.620 791 HB3 GLN 116 2HB GLN 116 20.269 -9.403 3.154 792 HG2 GLN 116 1HG GLN 116 21.819 -11.056 2.532 793 HG3 GLN 116 2HG GLN 116 23.161 -9.914 2.559 794 HE21 GLN 116 2HE2 GLN 116 24.015 -9.265 4.525 795 HE22 GLN 116 1HE2 GLN 116 23.724 -10.138 5.988 796 H GLY 117 H GLY 117 22.083 -8.604 -0.727 797 HA2 GLY 117 1HA GLY 117 21.423 -11.011 -1.762 798 HA3 GLY 117 2HA GLY 117 19.915 -10.098 -1.899 799 HA PRO 118 HA PRO 118 23.010 -7.081 -3.896 800 HB2 PRO 118 1HB PRO 118 25.502 -8.040 -4.432 801 HB3 PRO 118 2HB PRO 118 25.087 -7.143 -2.987 802 HG2 PRO 118 1HG PRO 118 25.261 -10.105 -3.405 803 HG3 PRO 118 2HG PRO 118 25.907 -9.124 -2.069 804 HD2 PRO 118 1HD PRO 118 23.640 -10.430 -1.734 805 HD3 PRO 118 2HD PRO 118 23.790 -8.750 -1.174 806 H GLN 119 H GLN 119 22.337 -6.875 -5.910 807 HA GLN 119 HA GLN 119 22.112 -7.123 -8.147 808 HB2 GLN 119 1HB GLN 119 24.269 -9.218 -7.872 809 HB3 GLN 119 2HB GLN 119 23.670 -8.578 -9.395 810 HG2 GLN 119 1HG GLN 119 24.468 -6.359 -8.787 811 HG3 GLN 119 2HG GLN 119 25.048 -6.986 -7.245 812 HE21 GLN 119 2HE2 GLN 119 25.941 -9.502 -8.454 813 HE22 GLN 119 1HE2 GLN 119 27.399 -9.124 -9.302 814 H PHE 120 H PHE 120 20.753 -8.895 -6.078 815 HA PHE 120 HA PHE 120 19.780 -10.916 -7.981 816 HB2 PHE 120 1HB PHE 120 19.640 -10.821 -4.965 817 HB3 PHE 120 2HB PHE 120 18.722 -11.970 -5.932 818 HD1 PHE 120 HD1 PHE 120 20.072 -13.436 -7.565 819 HD2 PHE 120 HD2 PHE 120 21.788 -11.351 -4.279 820 HE1 PHE 120 HE1 PHE 120 22.004 -14.954 -7.618 821 HE2 PHE 120 HE2 PHE 120 23.726 -12.865 -4.326 822 HZ PHE 120 HZ PHE 120 23.833 -14.667 -6.000 823 H THR 121 H THR 121 19.076 -8.245 -8.270 824 HA THR 121 HA THR 121 16.384 -7.934 -7.251 825 HB THR 121 HB THR 121 16.433 -5.835 -8.670 826 HG1 THR 121 HG1 THR 121 18.335 -5.244 -9.625 827 HG21 THR 121 3HG2 THR 121 16.931 -5.780 -6.284 828 HG22 THR 121 1HG2 THR 121 17.949 -4.637 -7.159 829 HG23 THR 121 2HG2 THR 121 18.617 -6.176 -6.615 830 H LEU 122 H LEU 122 15.279 -6.674 -9.586 831 HA LEU 122 HA LEU 122 13.965 -7.188 -11.356 832 HB2 LEU 122 1HB LEU 122 16.176 -7.525 -12.448 833 HB3 LEU 122 2HB LEU 122 16.107 -9.220 -12.007 834 HG LEU 122 HG LEU 122 14.063 -9.456 -13.410 835 HD11 LEU 122 1HD1 LEU 122 14.727 -6.641 -14.253 836 HD12 LEU 122 2HD1 LEU 122 13.301 -7.148 -13.347 837 HD13 LEU 122 3HD1 LEU 122 13.528 -7.690 -15.010 838 HD21 LEU 122 3HD2 LEU 122 16.504 -8.396 -14.825 839 HD22 LEU 122 1HD2 LEU 122 15.235 -9.382 -15.551 840 HD23 LEU 122 2HD2 LEU 122 16.257 -10.055 -14.281 841 H ARG 123 H ARG 123 13.079 -8.212 -9.097 842 HA ARG 123 HA ARG 123 12.380 -11.017 -9.597 843 HB2 ARG 123 1HB ARG 123 11.896 -9.284 -7.160 844 HB3 ARG 123 2HB ARG 123 11.532 -10.999 -7.285 845 HG2 ARG 123 1HG ARG 123 13.912 -11.483 -7.576 846 HG3 ARG 123 2HG ARG 123 14.274 -9.763 -7.440 847 HD2 ARG 123 1HD ARG 123 13.347 -9.759 -5.169 848 HD3 ARG 123 2HD ARG 123 13.002 -11.481 -5.313 849 HE ARG 123 HE ARG 123 15.760 -10.797 -5.789 850 HH11 ARG 123 1HH1 ARG 123 13.389 -11.655 -3.348 851 HH12 ARG 123 2HH1 ARG 123 14.579 -12.229 -2.226 852 HH21 ARG 123 1HH2 ARG 123 17.309 -11.564 -4.312 853 HH22 ARG 123 2HH2 ARG 123 16.803 -12.180 -2.772 854 H HIS 124 H HIS 124 10.011 -11.567 -9.157 855 HA HIS 124 HA HIS 124 8.376 -9.857 -10.759 856 HB2 HIS 124 1HB HIS 124 8.127 -12.383 -10.563 857 HB3 HIS 124 2HB HIS 124 7.377 -12.096 -8.996 858 HD1 HIS 124 HD1 HIS 124 4.948 -11.351 -8.983 859 HD2 HIS 124 HD2 HIS 124 6.611 -11.422 -12.791 860 HE1 HIS 124 HE1 HIS 124 3.028 -11.005 -10.568 861 HE2 HIS 124 HE2 HIS 124 4.069 -10.965 -12.861 862 H TRP 125 H TRP 125 7.384 -8.090 -10.119 863 HA TRP 125 HA TRP 125 7.589 -7.358 -7.339 864 HB2 TRP 125 1HB TRP 125 6.672 -5.783 -9.749 865 HB3 TRP 125 2HB TRP 125 6.914 -5.116 -8.138 866 HD1 TRP 125 HD1 TRP 125 9.543 -5.309 -7.192 867 HE1 TRP 125 HE1 TRP 125 11.738 -5.025 -8.501 868 HE3 TRP 125 HE3 TRP 125 7.763 -6.038 -11.930 869 HZ2 TRP 125 HZ2 TRP 125 12.601 -5.100 -11.187 870 HZ3 TRP 125 HZ3 TRP 125 9.341 -5.914 -13.812 871 HH2 TRP 125 HH2 TRP 125 11.709 -5.453 -13.447 872 H LEU 126 H LEU 126 5.771 -5.835 -6.604 873 HA LEU 126 HA LEU 126 3.285 -7.402 -6.596 874 HB2 LEU 126 1HB LEU 126 4.483 -7.187 -4.463 875 HB3 LEU 126 2HB LEU 126 4.463 -5.446 -4.604 876 HG LEU 126 HG LEU 126 1.903 -6.963 -4.462 877 HD11 LEU 126 1HD1 LEU 126 1.952 -6.703 -2.020 878 HD12 LEU 126 2HD1 LEU 126 3.625 -6.166 -2.137 879 HD13 LEU 126 3HD1 LEU 126 3.191 -7.806 -2.610 880 HD21 LEU 126 3HD2 LEU 126 1.780 -4.587 -4.976 881 HD22 LEU 126 1HD2 LEU 126 2.698 -4.229 -3.518 882 HD23 LEU 126 2HD2 LEU 126 1.089 -4.932 -3.392 883 H LYS 127 H LYS 127 1.265 -6.171 -6.569 884 HA LYS 127 HA LYS 127 1.389 -3.359 -7.132 885 HB2 LYS 127 1HB LYS 127 0.224 -3.461 -9.275 886 HB3 LYS 127 2HB LYS 127 1.791 -4.246 -9.359 887 HG2 LYS 127 1HG LYS 127 0.700 -6.426 -9.187 888 HG3 LYS 127 2HG LYS 127 -0.872 -5.628 -9.115 889 HD2 LYS 127 1HD LYS 127 -0.293 -4.567 -11.333 890 HD3 LYS 127 2HD LYS 127 1.083 -5.668 -11.402 891 HE2 LYS 127 1HE LYS 127 -0.765 -6.591 -12.647 892 HE3 LYS 127 2HE LYS 127 -0.463 -7.573 -11.216 893 HZ1 LYS 127 3HZ LYS 127 -2.575 -5.496 -11.445 894 HZ2 LYS 127 1HZ LYS 127 -2.314 -6.511 -10.117 895 HZ3 LYS 127 2HZ LYS 127 -2.831 -7.160 -11.590 896 H VAL 128 H VAL 128 -0.128 -2.497 -5.962 897 HA VAL 128 HA VAL 128 -2.828 -3.401 -6.300 898 HB VAL 128 HB VAL 128 -2.189 -4.642 -4.310 899 HG11 VAL 128 1HG1 VAL 128 -1.651 -1.976 -3.059 900 HG12 VAL 128 2HG1 VAL 128 -0.468 -3.238 -3.402 901 HG13 VAL 128 3HG1 VAL 128 -1.731 -3.516 -2.203 902 HG21 VAL 128 3HG2 VAL 128 -4.120 -2.419 -3.783 903 HG22 VAL 128 1HG2 VAL 128 -4.040 -3.954 -2.920 904 HG23 VAL 128 2HG2 VAL 128 -4.462 -3.927 -4.630
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