NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
459784 | 2e7b | 11230 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 20.137 -18.184 -12.782 2 HA2 GLY 1 1HA GLY 1 20.040 -18.082 -10.258 3 HA3 GLY 1 2HA GLY 1 21.542 -17.477 -10.941 4 H SER 2 H SER 2 22.185 -15.635 -10.072 5 HA SER 2 HA SER 2 20.133 -13.718 -9.174 6 HB2 SER 2 1HB SER 2 22.871 -14.232 -7.987 7 HB3 SER 2 2HB SER 2 21.753 -12.977 -7.453 8 HG SER 2 HG SER 2 21.847 -15.336 -6.498 9 H SER 3 H SER 3 21.128 -11.437 -8.951 10 HA SER 3 HA SER 3 22.133 -10.719 -11.553 11 HB2 SER 3 1HB SER 3 20.396 -9.411 -10.229 12 HB3 SER 3 2HB SER 3 21.723 -8.863 -9.205 13 HG SER 3 HG SER 3 21.661 -8.544 -12.023 14 H GLY 4 H GLY 4 23.264 -10.122 -8.218 15 HA2 GLY 4 1HA GLY 4 25.969 -10.736 -8.862 16 HA3 GLY 4 2HA GLY 4 25.720 -8.997 -8.815 17 H SER 5 H SER 5 24.129 -11.413 -6.791 18 HA SER 5 HA SER 5 23.882 -11.467 -4.513 19 HB2 SER 5 1HB SER 5 26.896 -11.206 -4.658 20 HB3 SER 5 2HB SER 5 25.972 -11.885 -3.318 21 HG SER 5 HG SER 5 26.723 -13.033 -5.679 22 H SER 6 H SER 6 23.358 -8.932 -5.418 23 HA SER 6 HA SER 6 24.837 -6.858 -4.263 24 HB2 SER 6 1HB SER 6 22.934 -6.713 -5.983 25 HB3 SER 6 2HB SER 6 21.841 -6.770 -4.600 26 HG SER 6 HG SER 6 23.577 -4.755 -5.423 27 H GLY 7 H GLY 7 21.747 -8.205 -3.073 28 HA2 GLY 7 1HA GLY 7 22.131 -8.889 -0.573 29 HA3 GLY 7 2HA GLY 7 22.383 -7.157 -0.411 30 HA PRO 8 HA PRO 8 17.754 -8.505 -0.499 31 HB2 PRO 8 1HB PRO 8 17.308 -9.082 2.116 32 HB3 PRO 8 2HB PRO 8 17.768 -10.306 0.927 33 HG2 PRO 8 1HG PRO 8 19.473 -8.876 2.929 34 HG3 PRO 8 2HG PRO 8 19.472 -10.592 2.483 35 HD2 PRO 8 1HD PRO 8 21.301 -8.839 1.527 36 HD3 PRO 8 2HD PRO 8 20.726 -10.228 0.583 37 H VAL 9 H VAL 9 16.064 -7.173 0.269 38 HA VAL 9 HA VAL 9 17.002 -4.678 1.508 39 HB VAL 9 HB VAL 9 14.431 -5.114 -0.013 40 HG11 VAL 9 1HG1 VAL 9 15.704 -2.457 0.240 41 HG12 VAL 9 2HG1 VAL 9 13.997 -2.905 0.246 42 HG13 VAL 9 3HG1 VAL 9 14.974 -3.128 1.698 43 HG21 VAL 9 1HG2 VAL 9 16.208 -5.516 -1.553 44 HG22 VAL 9 2HG2 VAL 9 15.605 -3.886 -1.856 45 HG23 VAL 9 3HG2 VAL 9 17.110 -4.118 -0.967 46 H ARG 10 H ARG 10 16.775 -4.913 3.667 47 HA ARG 10 HA ARG 10 14.713 -6.364 4.935 48 HB2 ARG 10 1HB ARG 10 16.796 -4.420 5.821 49 HB3 ARG 10 2HB ARG 10 15.478 -4.789 6.925 50 HG2 ARG 10 1HG ARG 10 17.205 -6.263 7.498 51 HG3 ARG 10 2HG ARG 10 16.057 -7.231 6.572 52 HD2 ARG 10 1HD ARG 10 17.448 -6.914 4.564 53 HD3 ARG 10 2HD ARG 10 18.607 -6.003 5.531 54 HE ARG 10 HE ARG 10 19.456 -7.985 6.267 55 HH11 ARG 10 2HH1 ARG 10 16.222 -8.531 5.099 56 HH12 ARG 10 1HH1 ARG 10 16.299 -10.250 5.303 57 HH21 ARG 10 2HH2 ARG 10 19.569 -10.246 6.540 58 HH22 ARG 10 1HH2 ARG 10 18.203 -11.225 6.124 59 H PHE 11 H PHE 11 13.115 -5.412 6.454 60 HA PHE 11 HA PHE 11 11.874 -3.029 5.249 61 HB2 PHE 11 1HB PHE 11 10.763 -5.560 6.349 62 HB3 PHE 11 2HB PHE 11 9.825 -4.092 6.601 63 HD1 PHE 11 2HD PHE 11 9.309 -2.670 4.522 64 HD2 PHE 11 1HD PHE 11 10.601 -6.722 4.354 65 HE1 PHE 11 2HE PHE 11 8.396 -2.864 2.246 66 HE2 PHE 11 1HE PHE 11 9.691 -6.922 2.077 67 HZ PHE 11 HZ PHE 11 8.585 -4.992 1.020 68 H GLN 12 H GLN 12 13.001 -1.536 6.536 69 HA GLN 12 HA GLN 12 13.245 -1.641 9.321 70 HB2 GLN 12 1HB GLN 12 14.425 -0.085 7.669 71 HB3 GLN 12 2HB GLN 12 12.980 0.915 7.748 72 HG2 GLN 12 1HG GLN 12 14.668 1.764 9.245 73 HG3 GLN 12 2HG GLN 12 13.288 1.162 10.162 74 HE21 GLN 12 1HE2 GLN 12 15.213 1.371 11.748 75 HE22 GLN 12 2HE2 GLN 12 16.097 -0.088 12.022 76 H GLU 13 H GLU 13 10.889 0.186 7.360 77 HA GLU 13 HA GLU 13 8.995 -0.032 9.597 78 HB2 GLU 13 1HB GLU 13 9.956 2.428 8.220 79 HB3 GLU 13 2HB GLU 13 8.257 2.355 8.669 80 HG2 GLU 13 1HG GLU 13 10.358 1.710 10.687 81 HG3 GLU 13 2HG GLU 13 9.987 3.389 10.298 82 H ALA 14 H ALA 14 8.290 -1.831 8.175 83 HA ALA 14 HA ALA 14 7.245 -1.441 5.603 84 HB1 ALA 14 1HB ALA 14 7.078 -3.645 5.761 85 HB2 ALA 14 2HB ALA 14 7.385 -3.560 7.496 86 HB3 ALA 14 3HB ALA 14 5.733 -3.459 6.887 87 H LEU 15 H LEU 15 4.735 -2.102 5.330 88 HA LEU 15 HA LEU 15 3.296 0.214 6.137 89 HB2 LEU 15 1HB LEU 15 2.114 -2.306 5.000 90 HB3 LEU 15 2HB LEU 15 1.473 -0.668 4.899 91 HG LEU 15 HG LEU 15 4.109 -1.258 3.636 92 HD11 LEU 15 1HD1 LEU 15 1.666 -1.669 2.005 93 HD12 LEU 15 2HD1 LEU 15 2.184 -2.985 3.057 94 HD13 LEU 15 3HD1 LEU 15 3.280 -2.357 1.827 95 HD21 LEU 15 1HD2 LEU 15 2.186 0.316 2.163 96 HD22 LEU 15 2HD2 LEU 15 3.799 0.749 2.730 97 HD23 LEU 15 3HD2 LEU 15 2.408 0.938 3.798 98 H LYS 16 H LYS 16 1.754 0.492 7.680 99 HA LYS 16 HA LYS 16 1.294 -1.772 9.510 100 HB2 LYS 16 1HB LYS 16 1.709 1.154 10.059 101 HB3 LYS 16 2HB LYS 16 0.873 0.127 11.216 102 HG2 LYS 16 1HG LYS 16 3.560 -0.665 10.179 103 HG3 LYS 16 2HG LYS 16 3.416 0.536 11.465 104 HD2 LYS 16 1HD LYS 16 2.464 -0.991 12.948 105 HD3 LYS 16 2HD LYS 16 2.000 -2.100 11.656 106 HE2 LYS 16 1HE LYS 16 3.817 -3.192 12.543 107 HE3 LYS 16 2HE LYS 16 4.582 -2.250 11.266 108 HZ1 LYS 16 1HZ LYS 16 5.379 -2.267 13.825 109 HZ2 LYS 16 2HZ LYS 16 4.387 -0.897 13.812 110 HZ3 LYS 16 3HZ LYS 16 5.692 -1.007 12.741 111 H ASP 17 H ASP 17 -0.758 -1.556 10.791 112 HA ASP 17 HA ASP 17 -2.980 -1.544 9.153 113 HB2 ASP 17 1HB ASP 17 -2.960 -0.917 12.112 114 HB3 ASP 17 2HB ASP 17 -4.324 -1.529 11.181 115 H LEU 18 H LEU 18 -4.331 -0.043 8.363 116 HA LEU 18 HA LEU 18 -3.895 2.749 9.196 117 HB2 LEU 18 1HB LEU 18 -4.375 1.476 6.559 118 HB3 LEU 18 2HB LEU 18 -5.079 3.068 6.835 119 HG LEU 18 HG LEU 18 -2.161 2.587 7.317 120 HD11 LEU 18 1HD1 LEU 18 -2.272 1.829 5.123 121 HD12 LEU 18 2HD1 LEU 18 -1.916 3.547 4.943 122 HD13 LEU 18 3HD1 LEU 18 -3.559 2.956 4.694 123 HD21 LEU 18 1HD2 LEU 18 -2.037 4.977 6.782 124 HD22 LEU 18 2HD2 LEU 18 -3.124 4.663 8.135 125 HD23 LEU 18 3HD2 LEU 18 -3.783 5.007 6.535 126 H GLU 19 H GLU 19 -5.663 4.085 9.538 127 HA GLU 19 HA GLU 19 -8.274 2.723 9.662 128 HB2 GLU 19 1HB GLU 19 -7.117 3.267 11.882 129 HB3 GLU 19 2HB GLU 19 -7.437 4.954 11.504 130 HG2 GLU 19 1HG GLU 19 -9.830 4.488 11.419 131 HG3 GLU 19 2HG GLU 19 -9.513 2.793 11.789 132 H VAL 20 H VAL 20 -9.547 3.507 8.123 133 HA VAL 20 HA VAL 20 -9.798 6.408 7.842 134 HB VAL 20 HB VAL 20 -8.371 6.079 6.033 135 HG11 VAL 20 1HG1 VAL 20 -8.216 3.672 6.107 136 HG12 VAL 20 2HG1 VAL 20 -9.849 3.514 5.456 137 HG13 VAL 20 3HG1 VAL 20 -8.561 4.186 4.456 138 HG21 VAL 20 1HG2 VAL 20 -10.572 7.148 5.447 139 HG22 VAL 20 2HG2 VAL 20 -9.680 6.466 4.086 140 HG23 VAL 20 3HG2 VAL 20 -11.058 5.597 4.762 141 H LEU 21 H LEU 21 -11.799 7.099 6.962 142 HA LEU 21 HA LEU 21 -13.922 5.095 7.249 143 HB2 LEU 21 1HB LEU 21 -13.850 7.273 8.597 144 HB3 LEU 21 2HB LEU 21 -14.312 8.067 7.093 145 HG LEU 21 HG LEU 21 -15.982 5.818 8.125 146 HD11 LEU 21 1HD1 LEU 21 -16.358 6.879 10.046 147 HD12 LEU 21 2HD1 LEU 21 -17.202 8.094 9.088 148 HD13 LEU 21 3HD1 LEU 21 -15.505 8.327 9.509 149 HD21 LEU 21 1HD2 LEU 21 -16.276 8.159 6.314 150 HD22 LEU 21 2HD2 LEU 21 -17.701 7.575 7.174 151 HD23 LEU 21 3HD2 LEU 21 -16.810 6.492 6.103 152 H GLU 22 H GLU 22 -15.561 4.876 5.709 153 HA GLU 22 HA GLU 22 -14.793 5.028 3.030 154 HB2 GLU 22 1HB GLU 22 -16.480 3.462 3.673 155 HB3 GLU 22 2HB GLU 22 -17.511 4.738 4.304 156 HG2 GLU 22 1HG GLU 22 -17.517 5.618 1.879 157 HG3 GLU 22 2HG GLU 22 -16.950 4.001 1.464 158 H GLY 23 H GLY 23 -14.684 6.672 1.655 159 HA2 GLY 23 1HA GLY 23 -16.063 8.482 0.611 160 HA3 GLY 23 2HA GLY 23 -16.290 9.081 2.247 161 H GLY 24 H GLY 24 -13.227 7.776 1.214 162 HA2 GLY 24 1HA GLY 24 -12.129 10.389 0.595 163 HA3 GLY 24 2HA GLY 24 -11.571 9.691 2.109 164 H ALA 25 H ALA 25 -9.455 9.393 1.525 165 HA ALA 25 HA ALA 25 -8.987 7.247 -0.418 166 HB1 ALA 25 1HB ALA 25 -6.890 8.540 -1.116 167 HB2 ALA 25 2HB ALA 25 -8.443 9.090 -1.746 168 HB3 ALA 25 3HB ALA 25 -7.681 9.947 -0.406 169 H ALA 26 H ALA 26 -7.226 5.924 0.026 170 HA ALA 26 HA ALA 26 -6.023 6.316 2.687 171 HB1 ALA 26 1HB ALA 26 -7.569 4.308 2.229 172 HB2 ALA 26 2HB ALA 26 -6.202 3.654 1.325 173 HB3 ALA 26 3HB ALA 26 -6.030 4.019 3.042 174 H THR 27 H THR 27 -3.924 6.743 2.721 175 HA THR 27 HA THR 27 -2.272 5.874 0.438 176 HB THR 27 HB THR 27 -1.837 8.324 2.157 177 HG1 THR 27 1HG THR 27 -2.277 9.222 -0.135 178 HG21 THR 27 1HG2 THR 27 0.139 7.056 1.019 179 HG22 THR 27 2HG2 THR 27 0.027 8.810 0.870 180 HG23 THR 27 3HG2 THR 27 -0.494 7.776 -0.460 181 H LEU 28 H LEU 28 -1.093 4.184 1.068 182 HA LEU 28 HA LEU 28 -0.268 3.851 3.814 183 HB2 LEU 28 1HB LEU 28 0.520 2.194 1.427 184 HB3 LEU 28 2HB LEU 28 0.600 1.731 3.126 185 HG LEU 28 HG LEU 28 -1.988 2.046 3.049 186 HD11 LEU 28 1HD1 LEU 28 -2.810 2.636 1.074 187 HD12 LEU 28 2HD1 LEU 28 -2.327 1.051 0.469 188 HD13 LEU 28 3HD1 LEU 28 -1.243 2.430 0.291 189 HD21 LEU 28 1HD2 LEU 28 -0.570 -0.281 1.757 190 HD22 LEU 28 2HD2 LEU 28 -2.233 -0.304 2.345 191 HD23 LEU 28 3HD2 LEU 28 -0.900 -0.071 3.476 192 H ARG 29 H ARG 29 1.972 3.460 4.427 193 HA ARG 29 HA ARG 29 3.996 4.622 2.676 194 HB2 ARG 29 1HB ARG 29 3.050 5.796 5.240 195 HB3 ARG 29 2HB ARG 29 4.780 5.829 4.925 196 HG2 ARG 29 1HG ARG 29 4.285 6.940 2.746 197 HG3 ARG 29 2HG ARG 29 2.597 7.047 3.252 198 HD2 ARG 29 1HD ARG 29 4.960 8.245 4.697 199 HD3 ARG 29 2HD ARG 29 3.805 9.127 3.698 200 HE ARG 29 HE ARG 29 2.323 7.823 5.629 201 HH11 ARG 29 2HH1 ARG 29 4.844 10.222 5.530 202 HH12 ARG 29 1HH1 ARG 29 4.331 11.010 6.985 203 HH21 ARG 29 2HH2 ARG 29 1.638 8.851 7.546 204 HH22 ARG 29 1HH2 ARG 29 2.508 10.229 8.132 205 H CYS 30 H CYS 30 6.073 3.890 3.062 206 HA CYS 30 HA CYS 30 6.745 2.368 5.393 207 HB2 CYS 30 1HB CYS 30 7.143 0.230 4.250 208 HB3 CYS 30 2HB CYS 30 5.443 0.679 4.189 209 HG CYS 30 HG CYS 30 5.377 1.343 1.554 210 H VAL 31 H VAL 31 8.887 2.435 5.728 211 HA VAL 31 HA VAL 31 10.558 3.492 3.554 212 HB VAL 31 HB VAL 31 11.029 3.501 6.538 213 HG11 VAL 31 1HG1 VAL 31 13.042 4.677 6.159 214 HG12 VAL 31 2HG1 VAL 31 13.081 3.290 5.068 215 HG13 VAL 31 3HG1 VAL 31 12.682 4.892 4.446 216 HG21 VAL 31 1HG2 VAL 31 9.355 5.110 5.153 217 HG22 VAL 31 2HG2 VAL 31 10.215 5.602 6.613 218 HG23 VAL 31 3HG2 VAL 31 10.861 6.019 5.026 219 H LEU 32 H LEU 32 12.111 2.282 2.677 220 HA LEU 32 HA LEU 32 12.509 -0.418 3.634 221 HB2 LEU 32 1HB LEU 32 13.839 0.982 1.322 222 HB3 LEU 32 2HB LEU 32 13.790 -0.754 1.623 223 HG LEU 32 HG LEU 32 11.253 0.776 1.187 224 HD11 LEU 32 1HD1 LEU 32 13.367 0.244 -0.779 225 HD12 LEU 32 2HD1 LEU 32 12.039 1.403 -0.819 226 HD13 LEU 32 3HD1 LEU 32 11.752 -0.281 -1.255 227 HD21 LEU 32 1HD2 LEU 32 10.480 -1.383 0.366 228 HD22 LEU 32 2HD2 LEU 32 11.137 -1.530 1.997 229 HD23 LEU 32 3HD2 LEU 32 12.088 -2.065 0.610 230 H SER 33 H SER 33 14.651 -1.331 3.961 231 HA SER 33 HA SER 33 16.200 0.223 5.757 232 HB2 SER 33 1HB SER 33 15.894 -2.340 5.689 233 HB3 SER 33 2HB SER 33 17.167 -2.323 4.468 234 HG SER 33 HG SER 33 18.402 -2.400 6.182 235 H SER 34 H SER 34 16.359 -0.348 2.350 236 HA SER 34 HA SER 34 18.669 1.436 2.179 237 HB2 SER 34 1HB SER 34 19.325 -1.073 2.053 238 HB3 SER 34 2HB SER 34 18.591 -1.025 0.450 239 HG SER 34 HG SER 34 20.936 0.134 1.373 240 H VAL 35 H VAL 35 18.828 2.585 0.225 241 HA VAL 35 HA VAL 35 16.312 3.069 -1.059 242 HB VAL 35 HB VAL 35 18.967 4.158 -1.969 243 HG11 VAL 35 1HG1 VAL 35 16.359 4.497 -2.877 244 HG12 VAL 35 2HG1 VAL 35 16.708 5.957 -1.950 245 HG13 VAL 35 3HG1 VAL 35 17.760 5.486 -3.285 246 HG21 VAL 35 1HG2 VAL 35 18.222 6.113 -0.392 247 HG22 VAL 35 2HG2 VAL 35 17.375 4.825 0.465 248 HG23 VAL 35 3HG2 VAL 35 19.124 4.741 0.251 249 H ALA 36 H ALA 36 15.536 1.771 -2.582 250 HA ALA 36 HA ALA 36 17.229 1.052 -4.838 251 HB1 ALA 36 1HB ALA 36 17.563 -1.041 -4.173 252 HB2 ALA 36 2HB ALA 36 16.494 -0.831 -2.786 253 HB3 ALA 36 3HB ALA 36 15.829 -1.312 -4.347 254 H ALA 37 H ALA 37 16.054 0.467 -6.720 255 HA ALA 37 HA ALA 37 13.251 0.218 -6.830 256 HB1 ALA 37 1HB ALA 37 14.240 2.924 -6.675 257 HB2 ALA 37 2HB ALA 37 13.375 2.646 -8.187 258 HB3 ALA 37 3HB ALA 37 12.580 2.329 -6.645 259 HA PRO 38 HA PRO 38 11.792 1.442 -8.588 260 HB2 PRO 38 1HB PRO 38 10.196 -0.082 -10.169 261 HB3 PRO 38 2HB PRO 38 11.001 1.382 -10.745 262 HG2 PRO 38 1HG PRO 38 11.798 -1.482 -11.096 263 HG3 PRO 38 2HG PRO 38 11.819 -0.162 -12.280 264 HD2 PRO 38 1HD PRO 38 14.048 -0.997 -10.989 265 HD3 PRO 38 2HD PRO 38 13.805 0.692 -11.479 266 H VAL 39 H VAL 39 9.732 0.337 -7.799 267 HA VAL 39 HA VAL 39 10.466 -2.132 -6.368 268 HB VAL 39 HB VAL 39 8.521 0.030 -5.548 269 HG11 VAL 39 1HG1 VAL 39 8.440 -1.281 -3.402 270 HG12 VAL 39 2HG1 VAL 39 7.644 -2.042 -4.781 271 HG13 VAL 39 3HG1 VAL 39 9.236 -2.598 -4.263 272 HG21 VAL 39 1HG2 VAL 39 11.086 -0.803 -4.208 273 HG22 VAL 39 2HG2 VAL 39 10.975 0.537 -5.349 274 HG23 VAL 39 3HG2 VAL 39 10.074 0.592 -3.834 275 H LYS 40 H LYS 40 8.622 -3.562 -5.815 276 HA LYS 40 HA LYS 40 6.670 -3.624 -8.021 277 HB2 LYS 40 1HB LYS 40 8.470 -5.498 -7.689 278 HB3 LYS 40 2HB LYS 40 7.391 -6.048 -6.413 279 HG2 LYS 40 1HG LYS 40 5.732 -6.645 -7.881 280 HG3 LYS 40 2HG LYS 40 6.276 -5.516 -9.124 281 HD2 LYS 40 1HD LYS 40 8.034 -6.916 -9.786 282 HD3 LYS 40 2HD LYS 40 7.950 -7.869 -8.302 283 HE2 LYS 40 1HE LYS 40 5.531 -8.408 -9.161 284 HE3 LYS 40 2HE LYS 40 6.208 -7.955 -10.724 285 HZ1 LYS 40 1HZ LYS 40 6.339 -10.371 -10.161 286 HZ2 LYS 40 2HZ LYS 40 7.449 -9.978 -8.947 287 HZ3 LYS 40 3HZ LYS 40 7.819 -9.660 -10.567 288 H TRP 41 H TRP 41 4.535 -3.788 -7.573 289 HA TRP 41 HA TRP 41 3.774 -3.976 -4.731 290 HB2 TRP 41 1HB TRP 41 2.925 -2.086 -6.867 291 HB3 TRP 41 2HB TRP 41 1.697 -2.613 -5.719 292 HD1 TRP 41 HD TRP 41 4.774 -0.415 -6.006 293 HE1 TRP 41 1HE TRP 41 5.043 0.945 -3.837 294 HE3 TRP 41 3HE TRP 41 1.232 -2.740 -3.145 295 HZ2 TRP 41 2HZ TRP 41 3.905 1.021 -1.255 296 HZ3 TRP 41 3HZ TRP 41 0.885 -1.964 -0.836 297 HH2 TRP 41 HH TRP 41 2.196 -0.122 0.087 298 H CYS 42 H CYS 42 2.387 -5.542 -4.212 299 HA CYS 42 HA CYS 42 0.701 -6.702 -6.319 300 HB2 CYS 42 1HB CYS 42 1.324 -8.894 -5.855 301 HB3 CYS 42 2HB CYS 42 2.856 -8.038 -5.728 302 HG CYS 42 HG CYS 42 2.641 -10.023 -3.721 303 H TYR 43 H TYR 43 -1.280 -7.519 -5.643 304 HA TYR 43 HA TYR 43 -1.956 -7.294 -2.806 305 HB2 TYR 43 1HB TYR 43 -2.785 -5.220 -3.344 306 HB3 TYR 43 2HB TYR 43 -3.092 -5.658 -5.021 307 HD1 TYR 43 2HD TYR 43 -4.359 -6.099 -1.561 308 HD2 TYR 43 1HD TYR 43 -5.239 -6.321 -5.718 309 HE1 TYR 43 2HE TYR 43 -6.740 -6.421 -1.034 310 HE2 TYR 43 1HE TYR 43 -7.622 -6.642 -5.203 311 HH TYR 43 HH TYR 43 -8.983 -5.969 -2.308 312 H GLY 44 H GLY 44 -2.532 -9.336 -2.386 313 HA2 GLY 44 1HA GLY 44 -4.066 -11.093 -2.333 314 HA3 GLY 44 2HA GLY 44 -4.838 -10.429 -3.766 315 H ASN 45 H ASN 45 -4.343 -11.245 -5.735 316 HA ASN 45 HA ASN 45 -2.293 -13.361 -5.802 317 HB2 ASN 45 1HB ASN 45 -5.035 -13.188 -6.951 318 HB3 ASN 45 2HB ASN 45 -3.812 -14.036 -7.893 319 HD21 ASN 45 1HD2 ASN 45 -3.049 -15.986 -7.199 320 HD22 ASN 45 2HD2 ASN 45 -3.725 -16.849 -5.863 321 H ASN 46 H ASN 46 -3.989 -11.065 -7.942 322 HA ASN 46 HA ASN 46 -1.937 -11.142 -9.927 323 HB2 ASN 46 1HB ASN 46 -4.438 -9.566 -9.498 324 HB3 ASN 46 2HB ASN 46 -3.251 -8.957 -10.648 325 HD21 ASN 46 1HD2 ASN 46 -3.095 -9.873 -12.610 326 HD22 ASN 46 2HD2 ASN 46 -4.044 -11.215 -13.141 327 H VAL 47 H VAL 47 -0.761 -9.181 -10.649 328 HA VAL 47 HA VAL 47 0.425 -7.851 -8.334 329 HB VAL 47 HB VAL 47 1.863 -8.983 -10.059 330 HG11 VAL 47 1HG1 VAL 47 1.885 -8.387 -12.224 331 HG12 VAL 47 2HG1 VAL 47 0.295 -7.704 -11.877 332 HG13 VAL 47 3HG1 VAL 47 1.724 -6.670 -11.856 333 HG21 VAL 47 1HG2 VAL 47 3.457 -7.008 -10.239 334 HG22 VAL 47 2HG2 VAL 47 2.218 -6.069 -9.408 335 HG23 VAL 47 3HG2 VAL 47 2.943 -7.468 -8.616 336 H LEU 48 H LEU 48 0.327 -5.700 -7.962 337 HA LEU 48 HA LEU 48 -1.691 -4.180 -9.292 338 HB2 LEU 48 1HB LEU 48 0.362 -3.436 -7.218 339 HB3 LEU 48 2HB LEU 48 -0.877 -2.331 -7.811 340 HG LEU 48 HG LEU 48 -1.452 -4.935 -6.401 341 HD11 LEU 48 1HD1 LEU 48 -0.289 -3.292 -4.956 342 HD12 LEU 48 2HD1 LEU 48 -1.940 -3.634 -4.441 343 HD13 LEU 48 3HD1 LEU 48 -1.576 -2.135 -5.294 344 HD21 LEU 48 1HD2 LEU 48 -3.476 -4.597 -7.278 345 HD22 LEU 48 2HD2 LEU 48 -3.073 -2.961 -7.799 346 HD23 LEU 48 3HD2 LEU 48 -3.612 -3.252 -6.144 347 H ARG 49 H ARG 49 -1.465 -2.331 -10.562 348 HA ARG 49 HA ARG 49 1.228 -1.782 -11.603 349 HB2 ARG 49 1HB ARG 49 -1.289 -2.240 -13.205 350 HB3 ARG 49 2HB ARG 49 0.149 -1.478 -13.870 351 HG2 ARG 49 1HG ARG 49 1.358 -3.426 -13.857 352 HG3 ARG 49 2HG ARG 49 0.405 -4.135 -12.553 353 HD2 ARG 49 1HD ARG 49 -1.329 -4.734 -13.976 354 HD3 ARG 49 2HD ARG 49 -0.849 -3.569 -15.209 355 HE ARG 49 HE ARG 49 1.167 -5.522 -14.852 356 HH11 ARG 49 2HH1 ARG 49 -1.996 -5.065 -16.234 357 HH12 ARG 49 1HH1 ARG 49 -1.787 -6.287 -17.444 358 HH21 ARG 49 2HH2 ARG 49 1.454 -7.133 -16.441 359 HH22 ARG 49 1HH2 ARG 49 0.175 -7.463 -17.561 360 HA PRO 50 HA PRO 50 0.219 2.439 -10.896 361 HB2 PRO 50 1HB PRO 50 1.902 3.615 -12.672 362 HB3 PRO 50 2HB PRO 50 2.459 2.871 -11.168 363 HG2 PRO 50 1HG PRO 50 2.469 1.760 -13.948 364 HG3 PRO 50 2HG PRO 50 3.732 1.678 -12.706 365 HD2 PRO 50 1HD PRO 50 2.060 -0.389 -13.222 366 HD3 PRO 50 2HD PRO 50 2.708 -0.066 -11.601 367 H GLY 51 H GLY 51 -1.428 3.670 -11.561 368 HA2 GLY 51 1HA GLY 51 -1.823 4.453 -14.262 369 HA3 GLY 51 2HA GLY 51 -2.947 3.173 -13.829 370 H ASP 52 H ASP 52 -4.811 4.354 -13.878 371 HA ASP 52 HA ASP 52 -5.014 6.883 -12.506 372 HB2 ASP 52 1HB ASP 52 -6.271 6.222 -14.632 373 HB3 ASP 52 2HB ASP 52 -7.308 5.254 -13.588 374 H LYS 53 H LYS 53 -6.632 3.725 -12.137 375 HA LYS 53 HA LYS 53 -7.997 4.225 -9.793 376 HB2 LYS 53 1HB LYS 53 -8.216 2.175 -11.188 377 HB3 LYS 53 2HB LYS 53 -6.677 1.612 -10.548 378 HG2 LYS 53 1HG LYS 53 -8.086 0.503 -9.158 379 HG3 LYS 53 2HG LYS 53 -7.903 1.999 -8.239 380 HD2 LYS 53 1HD LYS 53 -9.964 2.838 -9.442 381 HD3 LYS 53 2HD LYS 53 -10.186 1.187 -10.027 382 HE2 LYS 53 1HE LYS 53 -9.819 1.701 -7.105 383 HE3 LYS 53 2HE LYS 53 -11.391 1.978 -7.854 384 HZ1 LYS 53 1HZ LYS 53 -11.060 -0.385 -8.774 385 HZ2 LYS 53 2HZ LYS 53 -11.520 -0.203 -7.157 386 HZ3 LYS 53 3HZ LYS 53 -9.910 -0.550 -7.545 387 H TYR 54 H TYR 54 -4.724 2.861 -10.123 388 HA TYR 54 HA TYR 54 -4.249 3.562 -7.301 389 HB2 TYR 54 1HB TYR 54 -2.857 1.448 -8.958 390 HB3 TYR 54 2HB TYR 54 -2.557 1.796 -7.259 391 HD1 TYR 54 1HD TYR 54 -4.145 1.110 -5.547 392 HD2 TYR 54 2HD TYR 54 -4.847 0.247 -9.654 393 HE1 TYR 54 1HE TYR 54 -5.882 -0.509 -4.904 394 HE2 TYR 54 2HE TYR 54 -6.587 -1.373 -9.023 395 HH TYR 54 HH TYR 54 -8.084 -1.475 -6.247 396 H SER 55 H SER 55 -2.209 4.439 -6.733 397 HA SER 55 HA SER 55 -0.589 5.462 -8.958 398 HB2 SER 55 1HB SER 55 -2.236 7.202 -8.132 399 HB3 SER 55 2HB SER 55 -1.373 7.174 -6.594 400 HG SER 55 HG SER 55 -0.558 8.816 -7.912 401 H LEU 56 H LEU 56 1.304 4.479 -8.643 402 HA LEU 56 HA LEU 56 2.327 4.162 -5.917 403 HB2 LEU 56 1HB LEU 56 3.578 3.062 -8.413 404 HB3 LEU 56 2HB LEU 56 3.780 2.513 -6.751 405 HG LEU 56 HG LEU 56 1.088 2.303 -8.015 406 HD11 LEU 56 1HD1 LEU 56 1.809 1.004 -9.662 407 HD12 LEU 56 2HD1 LEU 56 2.338 -0.152 -8.440 408 HD13 LEU 56 3HD1 LEU 56 3.465 1.056 -9.058 409 HD21 LEU 56 1HD2 LEU 56 2.601 1.100 -5.776 410 HD22 LEU 56 2HD2 LEU 56 1.475 0.047 -6.634 411 HD23 LEU 56 3HD2 LEU 56 0.897 1.539 -5.891 412 H ARG 57 H ARG 57 4.141 5.150 -5.192 413 HA ARG 57 HA ARG 57 5.774 6.684 -7.073 414 HB2 ARG 57 1HB ARG 57 4.134 7.790 -4.844 415 HB3 ARG 57 2HB ARG 57 5.718 8.498 -5.130 416 HG2 ARG 57 1HG ARG 57 3.662 8.190 -7.298 417 HG3 ARG 57 2HG ARG 57 3.765 9.618 -6.265 418 HD2 ARG 57 1HD ARG 57 6.262 9.632 -6.983 419 HD3 ARG 57 2HD ARG 57 5.706 8.610 -8.307 420 HE ARG 57 HE ARG 57 5.243 11.427 -7.979 421 HH11 ARG 57 2HH1 ARG 57 4.091 8.487 -9.445 422 HH12 ARG 57 1HH1 ARG 57 3.245 9.301 -10.720 423 HH21 ARG 57 2HH2 ARG 57 4.133 12.510 -9.652 424 HH22 ARG 57 1HH2 ARG 57 3.271 11.589 -10.837 425 H GLN 58 H GLN 58 7.902 6.693 -6.587 426 HA GLN 58 HA GLN 58 8.701 5.610 -3.966 427 HB2 GLN 58 1HB GLN 58 9.035 3.919 -5.690 428 HB3 GLN 58 2HB GLN 58 9.960 5.059 -6.658 429 HG2 GLN 58 1HG GLN 58 10.798 4.246 -3.895 430 HG3 GLN 58 2HG GLN 58 11.268 3.345 -5.335 431 HE21 GLN 58 1HE2 GLN 58 12.963 4.728 -3.456 432 HE22 GLN 58 2HE2 GLN 58 13.825 5.926 -4.354 433 H GLU 59 H GLU 59 10.196 6.731 -2.865 434 HA GLU 59 HA GLU 59 12.065 8.484 -4.173 435 HB2 GLU 59 1HB GLU 59 9.653 9.542 -2.776 436 HB3 GLU 59 2HB GLU 59 11.173 10.399 -2.562 437 HG2 GLU 59 1HG GLU 59 9.719 9.870 -5.137 438 HG3 GLU 59 2HG GLU 59 9.989 11.424 -4.351 439 H GLY 60 H GLY 60 13.893 8.130 -3.112 440 HA2 GLY 60 1HA GLY 60 15.338 7.509 -1.428 441 HA3 GLY 60 2HA GLY 60 14.452 8.712 -0.503 442 H ALA 61 H ALA 61 14.417 5.298 -1.454 443 HA ALA 61 HA ALA 61 13.395 3.480 -0.484 444 HB1 ALA 61 1HB ALA 61 15.327 3.402 0.804 445 HB2 ALA 61 2HB ALA 61 14.902 4.856 1.709 446 HB3 ALA 61 3HB ALA 61 14.040 3.347 2.009 447 H MET 62 H MET 62 11.426 5.253 -0.938 448 HA MET 62 HA MET 62 9.674 4.815 1.352 449 HB2 MET 62 1HB MET 62 10.764 7.203 1.296 450 HB3 MET 62 2HB MET 62 9.574 7.501 0.037 451 HG2 MET 62 1HG MET 62 7.818 6.733 1.660 452 HG3 MET 62 2HG MET 62 9.071 6.743 2.899 453 HE1 MET 62 1HE MET 62 7.751 9.716 4.358 454 HE2 MET 62 2HE MET 62 6.417 9.060 3.409 455 HE3 MET 62 3HE MET 62 7.562 7.970 4.192 456 H LEU 63 H LEU 63 7.731 4.103 0.733 457 HA LEU 63 HA LEU 63 7.016 4.370 -2.111 458 HB2 LEU 63 1HB LEU 63 6.182 2.273 -0.111 459 HB3 LEU 63 2HB LEU 63 5.658 2.347 -1.792 460 HG LEU 63 HG LEU 63 7.352 0.651 -1.536 461 HD11 LEU 63 1HD1 LEU 63 9.146 2.444 -2.859 462 HD12 LEU 63 2HD1 LEU 63 7.486 2.809 -3.331 463 HD13 LEU 63 3HD1 LEU 63 8.125 1.179 -3.544 464 HD21 LEU 63 1HD2 LEU 63 8.383 2.073 0.458 465 HD22 LEU 63 2HD2 LEU 63 9.464 2.610 -0.829 466 HD23 LEU 63 3HD2 LEU 63 9.332 0.893 -0.446 467 H GLU 64 H GLU 64 4.721 4.545 -2.616 468 HA GLU 64 HA GLU 64 2.952 5.424 -0.493 469 HB2 GLU 64 1HB GLU 64 4.152 7.482 -1.063 470 HB3 GLU 64 2HB GLU 64 3.730 7.270 -2.757 471 HG2 GLU 64 1HG GLU 64 1.555 7.411 -0.731 472 HG3 GLU 64 2HG GLU 64 2.371 8.892 -1.228 473 H LEU 65 H LEU 65 1.229 4.204 -0.890 474 HA LEU 65 HA LEU 65 0.308 3.944 -3.677 475 HB2 LEU 65 1HB LEU 65 0.850 1.787 -3.020 476 HB3 LEU 65 2HB LEU 65 0.280 2.041 -1.372 477 HG LEU 65 HG LEU 65 -2.044 1.998 -2.200 478 HD11 LEU 65 1HD1 LEU 65 -2.476 2.275 -4.354 479 HD12 LEU 65 2HD1 LEU 65 -1.675 0.744 -4.705 480 HD13 LEU 65 3HD1 LEU 65 -0.752 2.246 -4.726 481 HD21 LEU 65 1HD2 LEU 65 -0.743 -0.490 -3.213 482 HD22 LEU 65 2HD2 LEU 65 -2.191 -0.299 -2.224 483 HD23 LEU 65 3HD2 LEU 65 -0.596 -0.062 -1.508 484 H VAL 66 H VAL 66 -1.371 5.227 -4.045 485 HA VAL 66 HA VAL 66 -3.212 5.877 -1.868 486 HB VAL 66 HB VAL 66 -3.083 7.028 -4.659 487 HG11 VAL 66 1HG1 VAL 66 -5.278 7.302 -3.754 488 HG12 VAL 66 2HG1 VAL 66 -4.630 7.837 -2.203 489 HG13 VAL 66 3HG1 VAL 66 -4.447 8.852 -3.634 490 HG21 VAL 66 1HG2 VAL 66 -2.330 8.989 -2.867 491 HG22 VAL 66 2HG2 VAL 66 -1.515 7.545 -2.266 492 HG23 VAL 66 3HG2 VAL 66 -1.253 8.079 -3.926 493 H VAL 67 H VAL 67 -5.406 5.475 -1.942 494 HA VAL 67 HA VAL 67 -6.385 3.822 -4.171 495 HB VAL 67 HB VAL 67 -6.928 3.282 -1.248 496 HG11 VAL 67 1HG1 VAL 67 -7.885 1.944 -3.769 497 HG12 VAL 67 2HG1 VAL 67 -7.994 1.201 -2.172 498 HG13 VAL 67 3HG1 VAL 67 -8.857 2.701 -2.509 499 HG21 VAL 67 1HG2 VAL 67 -4.654 2.658 -1.919 500 HG22 VAL 67 2HG2 VAL 67 -5.641 1.239 -1.569 501 HG23 VAL 67 3HG2 VAL 67 -5.312 1.694 -3.241 502 H ARG 68 H ARG 68 -7.865 5.076 -5.117 503 HA ARG 68 HA ARG 68 -9.509 6.886 -3.560 504 HB2 ARG 68 1HB ARG 68 -9.055 6.399 -6.476 505 HB3 ARG 68 2HB ARG 68 -10.508 7.248 -5.967 506 HG2 ARG 68 1HG ARG 68 -7.789 8.117 -5.057 507 HG3 ARG 68 2HG ARG 68 -8.464 8.640 -6.601 508 HD2 ARG 68 1HD ARG 68 -10.453 9.490 -5.371 509 HD3 ARG 68 2HD ARG 68 -9.637 9.088 -3.860 510 HE ARG 68 HE ARG 68 -7.879 10.687 -5.236 511 HH11 ARG 68 2HH1 ARG 68 -11.143 10.978 -4.060 512 HH12 ARG 68 1HH1 ARG 68 -11.041 12.691 -3.819 513 HH21 ARG 68 2HH2 ARG 68 -7.733 12.942 -4.922 514 HH22 ARG 68 1HH2 ARG 68 -9.102 13.807 -4.310 515 H ASN 69 H ASN 69 -11.887 6.954 -3.965 516 HA ASN 69 HA ASN 69 -13.939 5.997 -3.755 517 HB2 ASN 69 1HB ASN 69 -12.885 3.762 -5.490 518 HB3 ASN 69 2HB ASN 69 -14.549 4.316 -5.336 519 HD21 ASN 69 1HD2 ASN 69 -11.640 4.616 -7.021 520 HD22 ASN 69 2HD2 ASN 69 -12.072 5.958 -8.021 521 H LEU 70 H LEU 70 -12.275 5.502 -1.644 522 HA LEU 70 HA LEU 70 -11.767 2.916 -0.867 523 HB2 LEU 70 1HB LEU 70 -12.475 5.405 0.599 524 HB3 LEU 70 2HB LEU 70 -12.453 3.887 1.493 525 HG LEU 70 HG LEU 70 -10.093 4.844 -0.107 526 HD11 LEU 70 1HD1 LEU 70 -9.289 5.410 2.333 527 HD12 LEU 70 2HD1 LEU 70 -11.015 5.649 2.604 528 HD13 LEU 70 3HD1 LEU 70 -10.179 6.588 1.367 529 HD21 LEU 70 1HD2 LEU 70 -10.488 2.412 0.791 530 HD22 LEU 70 2HD2 LEU 70 -9.988 3.123 2.325 531 HD23 LEU 70 3HD2 LEU 70 -8.906 3.178 0.933 532 H ARG 71 H ARG 71 -12.959 1.179 -0.438 533 HA ARG 71 HA ARG 71 -15.797 1.543 0.243 534 HB2 ARG 71 1HB ARG 71 -14.593 -0.266 -1.835 535 HB3 ARG 71 2HB ARG 71 -16.146 -0.634 -1.098 536 HG2 ARG 71 1HG ARG 71 -16.991 1.554 -1.863 537 HG3 ARG 71 2HG ARG 71 -15.447 1.836 -2.671 538 HD2 ARG 71 1HD ARG 71 -16.678 0.989 -4.408 539 HD3 ARG 71 2HD ARG 71 -15.964 -0.492 -3.770 540 HE ARG 71 HE ARG 71 -18.057 -1.199 -3.188 541 HH11 ARG 71 2HH1 ARG 71 -18.140 2.238 -3.739 542 HH12 ARG 71 1HH1 ARG 71 -19.864 2.350 -3.599 543 HH21 ARG 71 2HH2 ARG 71 -20.327 -1.063 -3.002 544 HH22 ARG 71 1HH2 ARG 71 -21.106 0.472 -3.179 545 HA PRO 72 HA PRO 72 -15.097 -1.254 3.552 546 HB2 PRO 72 1HB PRO 72 -17.520 -2.465 3.737 547 HB3 PRO 72 2HB PRO 72 -17.241 -0.793 4.237 548 HG2 PRO 72 1HG PRO 72 -18.419 -1.838 1.691 549 HG3 PRO 72 2HG PRO 72 -18.951 -0.475 2.693 550 HD2 PRO 72 1HD PRO 72 -17.505 -0.141 0.428 551 HD3 PRO 72 2HD PRO 72 -17.361 0.949 1.822 552 H GLN 73 H GLN 73 -15.554 -2.307 0.405 553 HA GLN 73 HA GLN 73 -15.217 -5.134 1.144 554 HB2 GLN 73 1HB GLN 73 -15.851 -4.147 -1.624 555 HB3 GLN 73 2HB GLN 73 -16.118 -5.746 -0.941 556 HG2 GLN 73 1HG GLN 73 -17.565 -3.296 0.019 557 HG3 GLN 73 2HG GLN 73 -18.164 -4.324 -1.281 558 HE21 GLN 73 1HE2 GLN 73 -17.694 -6.809 -0.458 559 HE22 GLN 73 2HE2 GLN 73 -18.524 -7.150 1.018 560 H ASP 74 H ASP 74 -13.463 -2.480 0.258 561 HA ASP 74 HA ASP 74 -11.594 -3.788 -1.515 562 HB2 ASP 74 1HB ASP 74 -12.031 -1.403 -1.793 563 HB3 ASP 74 2HB ASP 74 -11.485 -1.091 -0.148 564 H SER 75 H SER 75 -11.888 -3.110 1.889 565 HA SER 75 HA SER 75 -9.311 -3.276 2.803 566 HB2 SER 75 1HB SER 75 -11.800 -4.477 4.035 567 HB3 SER 75 2HB SER 75 -10.268 -4.273 4.883 568 HG SER 75 HG SER 75 -11.998 -2.276 3.875 569 H GLY 76 H GLY 76 -7.768 -4.691 2.334 570 HA2 GLY 76 1HA GLY 76 -8.366 -7.549 2.534 571 HA3 GLY 76 2HA GLY 76 -7.696 -6.965 1.018 572 H ARG 77 H ARG 77 -5.713 -7.872 1.022 573 HA ARG 77 HA ARG 77 -3.937 -7.153 3.259 574 HB2 ARG 77 1HB ARG 77 -4.493 -9.559 3.303 575 HB3 ARG 77 2HB ARG 77 -3.875 -9.721 1.665 576 HG2 ARG 77 1HG ARG 77 -1.649 -9.115 2.418 577 HG3 ARG 77 2HG ARG 77 -2.255 -8.880 4.059 578 HD2 ARG 77 1HD ARG 77 -2.746 -11.497 2.735 579 HD3 ARG 77 2HD ARG 77 -1.114 -11.144 3.303 580 HE ARG 77 HE ARG 77 -2.978 -10.576 5.341 581 HH11 ARG 77 2HH1 ARG 77 -1.526 -13.259 3.663 582 HH12 ARG 77 1HH1 ARG 77 -1.688 -14.351 4.999 583 HH21 ARG 77 2HH2 ARG 77 -3.197 -12.004 7.106 584 HH22 ARG 77 1HH2 ARG 77 -2.640 -13.636 6.956 585 H TYR 78 H TYR 78 -2.917 -5.442 2.323 586 HA TYR 78 HA TYR 78 -1.861 -5.688 -0.379 587 HB2 TYR 78 1HB TYR 78 -1.478 -3.329 1.453 588 HB3 TYR 78 2HB TYR 78 -1.462 -3.363 -0.307 589 HD1 TYR 78 1HD TYR 78 -3.553 -3.449 -1.569 590 HD2 TYR 78 2HD TYR 78 -3.557 -3.246 2.681 591 HE1 TYR 78 1HE TYR 78 -5.933 -2.827 -1.607 592 HE2 TYR 78 2HE TYR 78 -5.937 -2.624 2.655 593 HH TYR 78 HH TYR 78 -7.769 -2.495 -0.372 594 H SER 79 H SER 79 -0.032 -6.815 -0.544 595 HA SER 79 HA SER 79 2.105 -6.289 1.417 596 HB2 SER 79 1HB SER 79 2.967 -8.569 0.801 597 HB3 SER 79 2HB SER 79 1.402 -8.583 1.614 598 HG SER 79 HG SER 79 2.059 -9.470 -0.855 599 H CYS 80 H CYS 80 3.964 -5.478 0.679 600 HA CYS 80 HA CYS 80 4.251 -5.107 -2.207 601 HB2 CYS 80 1HB CYS 80 4.461 -3.079 -0.947 602 HB3 CYS 80 2HB CYS 80 5.615 -3.816 0.158 603 HG CYS 80 HG CYS 80 6.121 -2.418 -2.841 604 H SER 81 H SER 81 5.585 -6.324 -3.359 605 HA SER 81 HA SER 81 7.471 -8.069 -1.971 606 HB2 SER 81 1HB SER 81 6.625 -8.046 -4.879 607 HB3 SER 81 2HB SER 81 7.623 -9.275 -4.102 608 HG SER 81 HG SER 81 5.143 -8.708 -2.959 609 H PHE 82 H PHE 82 9.396 -7.178 -1.599 610 HA PHE 82 HA PHE 82 10.940 -6.192 -3.845 611 HB2 PHE 82 1HB PHE 82 9.639 -4.248 -2.674 612 HB3 PHE 82 2HB PHE 82 10.863 -4.428 -1.421 613 HD1 PHE 82 1HD PHE 82 11.114 -4.655 -5.129 614 HD2 PHE 82 2HD PHE 82 12.265 -2.606 -1.581 615 HE1 PHE 82 1HE PHE 82 12.654 -3.255 -6.441 616 HE2 PHE 82 2HE PHE 82 13.807 -1.202 -2.887 617 HZ PHE 82 HZ PHE 82 14.002 -1.525 -5.321 618 H GLY 83 H GLY 83 12.919 -7.017 -3.713 619 HA2 GLY 83 1HA GLY 83 14.958 -7.599 -2.751 620 HA3 GLY 83 2HA GLY 83 14.296 -7.201 -1.172 621 H ASP 84 H ASP 84 14.767 -8.990 -0.021 622 HA ASP 84 HA ASP 84 14.020 -11.602 -1.130 623 HB2 ASP 84 1HB ASP 84 16.312 -11.433 -0.310 624 HB3 ASP 84 2HB ASP 84 15.730 -10.901 1.265 625 H GLN 85 H GLN 85 13.237 -9.319 1.362 626 HA GLN 85 HA GLN 85 11.407 -11.230 2.627 627 HB2 GLN 85 1HB GLN 85 12.334 -8.497 3.524 628 HB3 GLN 85 2HB GLN 85 11.201 -9.510 4.409 629 HG2 GLN 85 1HG GLN 85 13.847 -10.651 3.690 630 HG3 GLN 85 2HG GLN 85 13.765 -9.464 4.991 631 HE21 GLN 85 1HE2 GLN 85 13.633 -10.352 6.910 632 HE22 GLN 85 2HE2 GLN 85 12.824 -11.826 7.305 633 H THR 86 H THR 86 9.231 -10.493 3.178 634 HA THR 86 HA THR 86 8.186 -8.448 1.339 635 HB THR 86 HB THR 86 6.769 -11.056 1.901 636 HG1 THR 86 1HG THR 86 7.491 -11.722 -0.113 637 HG21 THR 86 1HG2 THR 86 5.180 -9.428 1.297 638 HG22 THR 86 2HG2 THR 86 5.520 -10.299 -0.199 639 HG23 THR 86 3HG2 THR 86 6.245 -8.717 0.085 640 H THR 87 H THR 87 6.464 -7.241 2.084 641 HA THR 87 HA THR 87 5.803 -7.614 4.932 642 HB THR 87 HB THR 87 7.010 -5.518 4.465 643 HG1 THR 87 1HG THR 87 4.349 -4.763 5.018 644 HG21 THR 87 1HG2 THR 87 5.051 -3.932 3.240 645 HG22 THR 87 2HG2 THR 87 5.159 -5.396 2.261 646 HG23 THR 87 3HG2 THR 87 6.602 -4.428 2.563 647 H SER 88 H SER 88 3.636 -6.859 5.587 648 HA SER 88 HA SER 88 1.601 -6.706 3.538 649 HB2 SER 88 1HB SER 88 1.868 -9.126 3.721 650 HB3 SER 88 2HB SER 88 1.674 -9.037 5.472 651 HG SER 88 HG SER 88 -0.333 -7.979 3.828 652 H ALA 89 H ALA 89 -0.159 -5.600 4.215 653 HA ALA 89 HA ALA 89 -0.546 -5.187 7.093 654 HB1 ALA 89 1HB ALA 89 -0.860 -2.777 6.754 655 HB2 ALA 89 2HB ALA 89 0.774 -3.294 6.338 656 HB3 ALA 89 3HB ALA 89 -0.397 -2.962 5.062 657 H THR 90 H THR 90 -2.660 -3.884 7.433 658 HA THR 90 HA THR 90 -4.678 -4.725 5.462 659 HB THR 90 HB THR 90 -4.936 -4.973 8.466 660 HG1 THR 90 1HG THR 90 -4.914 -7.183 8.049 661 HG21 THR 90 1HG2 THR 90 -7.148 -5.524 8.216 662 HG22 THR 90 2HG2 THR 90 -6.934 -6.081 6.556 663 HG23 THR 90 3HG2 THR 90 -6.983 -4.354 6.908 664 H LEU 91 H LEU 91 -6.326 -3.309 5.087 665 HA LEU 91 HA LEU 91 -6.088 -0.686 6.383 666 HB2 LEU 91 1HB LEU 91 -5.880 -0.829 3.913 667 HB3 LEU 91 2HB LEU 91 -7.538 -1.422 3.845 668 HG LEU 91 HG LEU 91 -8.331 0.715 4.753 669 HD11 LEU 91 1HD1 LEU 91 -6.498 1.432 6.080 670 HD12 LEU 91 2HD1 LEU 91 -6.698 2.620 4.793 671 HD13 LEU 91 3HD1 LEU 91 -5.406 1.423 4.695 672 HD21 LEU 91 1HD2 LEU 91 -8.311 0.501 2.375 673 HD22 LEU 91 2HD2 LEU 91 -6.585 0.862 2.301 674 HD23 LEU 91 3HD2 LEU 91 -7.730 2.118 2.774 675 H THR 92 H THR 92 -7.888 0.388 7.208 676 HA THR 92 HA THR 92 -10.221 -1.338 7.723 677 HB THR 92 HB THR 92 -9.187 0.924 9.445 678 HG1 THR 92 1HG THR 92 -7.830 -0.648 9.966 679 HG21 THR 92 1HG2 THR 92 -11.043 -1.043 10.579 680 HG22 THR 92 2HG2 THR 92 -11.743 -0.035 9.312 681 HG23 THR 92 3HG2 THR 92 -11.018 0.713 10.735 682 H VAL 93 H VAL 93 -11.966 -0.741 6.631 683 HA VAL 93 HA VAL 93 -12.429 2.136 6.180 684 HB VAL 93 HB VAL 93 -13.199 -0.119 4.321 685 HG11 VAL 93 1HG1 VAL 93 -13.302 2.753 3.555 686 HG12 VAL 93 2HG1 VAL 93 -14.274 1.394 2.987 687 HG13 VAL 93 3HG1 VAL 93 -14.594 2.109 4.567 688 HG21 VAL 93 1HG2 VAL 93 -11.421 0.410 2.964 689 HG22 VAL 93 2HG2 VAL 93 -11.281 2.049 3.601 690 HG23 VAL 93 3HG2 VAL 93 -10.712 0.681 4.556 691 H THR 94 H THR 94 -14.083 2.793 7.373 692 HA THR 94 HA THR 94 -16.182 0.908 8.128 693 HB THR 94 HB THR 94 -15.924 3.772 9.043 694 HG1 THR 94 1HG THR 94 -14.618 1.427 9.936 695 HG21 THR 94 1HG2 THR 94 -18.036 2.254 9.371 696 HG22 THR 94 2HG2 THR 94 -17.433 3.236 10.706 697 HG23 THR 94 3HG2 THR 94 -17.059 1.515 10.638 698 H ALA 95 H ALA 95 -18.147 0.899 7.243 699 HA ALA 95 HA ALA 95 -18.763 2.500 4.994 700 HB1 ALA 95 1HB ALA 95 -19.964 0.621 4.763 701 HB2 ALA 95 2HB ALA 95 -20.057 0.347 6.503 702 HB3 ALA 95 3HB ALA 95 -21.172 1.471 5.727 703 H LEU 96 H LEU 96 -19.440 4.531 4.952 704 HA LEU 96 HA LEU 96 -19.843 6.269 6.940 705 HB2 LEU 96 1HB LEU 96 -21.101 6.034 4.257 706 HB3 LEU 96 2HB LEU 96 -21.729 7.253 5.364 707 HG LEU 96 HG LEU 96 -18.796 7.156 4.820 708 HD11 LEU 96 1HD1 LEU 96 -19.074 8.601 2.888 709 HD12 LEU 96 2HD1 LEU 96 -20.827 8.453 3.007 710 HD13 LEU 96 3HD1 LEU 96 -19.848 7.041 2.610 711 HD21 LEU 96 1HD2 LEU 96 -19.509 8.672 6.515 712 HD22 LEU 96 2HD2 LEU 96 -20.801 9.301 5.493 713 HD23 LEU 96 3HD2 LEU 96 -19.116 9.625 5.084 714 HA PRO 97 HA PRO 97 -23.331 5.058 9.336 715 HB2 PRO 97 1HB PRO 97 -23.961 7.461 10.430 716 HB3 PRO 97 2HB PRO 97 -22.554 6.517 10.931 717 HG2 PRO 97 1HG PRO 97 -22.702 8.848 9.059 718 HG3 PRO 97 2HG PRO 97 -21.513 8.508 10.330 719 HD2 PRO 97 1HD PRO 97 -21.022 8.029 7.711 720 HD3 PRO 97 2HD PRO 97 -20.336 7.031 9.009 721 H SER 98 H SER 98 -23.519 6.950 6.593 722 HA SER 98 HA SER 98 -25.209 7.641 5.235 723 HB2 SER 98 1HB SER 98 -25.815 5.141 5.818 724 HB3 SER 98 2HB SER 98 -27.155 5.889 6.687 725 HG SER 98 HG SER 98 -27.357 7.092 4.527 726 H GLY 99 H GLY 99 -24.755 9.397 7.228 727 HA2 GLY 99 1HA GLY 99 -27.100 10.011 8.751 728 HA3 GLY 99 2HA GLY 99 -25.686 11.037 8.556 729 HA PRO 100 HA PRO 100 -29.156 13.132 6.371 730 HB2 PRO 100 1HB PRO 100 -28.444 15.625 7.175 731 HB3 PRO 100 2HB PRO 100 -29.452 14.552 8.152 732 HG2 PRO 100 1HG PRO 100 -26.519 15.107 8.365 733 HG3 PRO 100 2HG PRO 100 -27.727 14.966 9.655 734 HD2 PRO 100 1HD PRO 100 -26.033 12.952 9.019 735 HD3 PRO 100 2HD PRO 100 -27.678 12.662 9.621 736 H SER 101 H SER 101 -25.902 12.811 5.985 737 HA SER 101 HA SER 101 -25.027 14.905 4.424 738 HB2 SER 101 1HB SER 101 -24.403 11.987 3.922 739 HB3 SER 101 2HB SER 101 -23.411 13.372 3.468 740 HG SER 101 HG SER 101 -22.518 12.797 5.333 741 H SER 102 H SER 102 -25.195 15.505 2.308 742 HA SER 102 HA SER 102 -27.548 14.830 0.913 743 HB2 SER 102 1HB SER 102 -26.611 16.192 -0.922 744 HB3 SER 102 2HB SER 102 -26.448 17.002 0.636 745 HG SER 102 HG SER 102 -24.534 16.322 -1.101 746 H GLY 103 H GLY 103 -24.159 14.239 -0.057 747 HA2 GLY 103 1HA GLY 103 -23.310 12.184 -0.855 748 HA3 GLY 103 2HA GLY 103 -24.958 11.625 -1.100 Start of MODEL 2 1 H1 GLY 1 H GLY 1 40.139 -3.070 6.609 2 HA2 GLY 1 1HA GLY 1 37.739 -4.007 6.240 3 HA3 GLY 1 2HA GLY 1 38.568 -4.442 7.728 4 H SER 2 H SER 2 36.182 -2.313 6.286 5 HA SER 2 HA SER 2 35.364 -1.340 8.914 6 HB2 SER 2 1HB SER 2 35.537 0.040 6.668 7 HB3 SER 2 2HB SER 2 33.920 -0.609 6.397 8 HG SER 2 HG SER 2 34.101 1.474 7.554 9 H SER 3 H SER 3 32.939 -1.234 9.295 10 HA SER 3 HA SER 3 31.825 -3.596 9.836 11 HB2 SER 3 1HB SER 3 29.656 -2.568 9.847 12 HB3 SER 3 2HB SER 3 30.823 -1.329 10.307 13 HG SER 3 HG SER 3 29.925 -0.245 8.744 14 H GLY 4 H GLY 4 31.443 -5.383 8.719 15 HA2 GLY 4 1HA GLY 4 30.650 -5.110 5.884 16 HA3 GLY 4 2HA GLY 4 31.677 -6.407 6.476 17 H SER 5 H SER 5 28.681 -5.799 5.415 18 HA SER 5 HA SER 5 27.534 -7.983 7.021 19 HB2 SER 5 1HB SER 5 25.452 -6.901 7.211 20 HB3 SER 5 2HB SER 5 26.624 -5.623 7.530 21 HG SER 5 HG SER 5 24.737 -5.587 5.739 22 H SER 6 H SER 6 25.446 -8.803 5.856 23 HA SER 6 HA SER 6 25.610 -8.707 2.963 24 HB2 SER 6 1HB SER 6 26.473 -11.066 4.571 25 HB3 SER 6 2HB SER 6 25.562 -11.368 3.091 26 HG SER 6 HG SER 6 27.897 -11.257 2.843 27 H GLY 7 H GLY 7 23.603 -8.627 2.211 28 HA2 GLY 7 1HA GLY 7 21.536 -10.338 2.565 29 HA3 GLY 7 2HA GLY 7 21.376 -9.258 3.942 30 HA PRO 8 HA PRO 8 19.531 -7.511 -0.117 31 HB2 PRO 8 1HB PRO 8 16.926 -8.188 0.242 32 HB3 PRO 8 2HB PRO 8 18.073 -9.211 -0.632 33 HG2 PRO 8 1HG PRO 8 17.118 -9.424 2.197 34 HG3 PRO 8 2HG PRO 8 17.353 -10.707 0.996 35 HD2 PRO 8 1HD PRO 8 19.152 -10.198 2.954 36 HD3 PRO 8 2HD PRO 8 19.629 -10.797 1.353 37 H VAL 9 H VAL 9 17.442 -6.034 -0.118 38 HA VAL 9 HA VAL 9 17.861 -4.042 1.840 39 HB VAL 9 HB VAL 9 15.477 -4.336 0.008 40 HG11 VAL 9 1HG1 VAL 9 16.600 -1.752 1.008 41 HG12 VAL 9 2HG1 VAL 9 14.974 -2.117 0.426 42 HG13 VAL 9 3HG1 VAL 9 15.492 -2.685 2.014 43 HG21 VAL 9 1HG2 VAL 9 18.207 -3.924 -0.632 44 HG22 VAL 9 2HG2 VAL 9 16.810 -3.882 -1.709 45 HG23 VAL 9 3HG2 VAL 9 17.352 -2.406 -0.911 46 H ARG 10 H ARG 10 17.411 -4.449 3.922 47 HA ARG 10 HA ARG 10 15.224 -6.089 4.758 48 HB2 ARG 10 1HB ARG 10 17.521 -5.520 5.936 49 HB3 ARG 10 2HB ARG 10 16.587 -4.202 6.630 50 HG2 ARG 10 1HG ARG 10 14.898 -6.055 7.267 51 HG3 ARG 10 2HG ARG 10 16.259 -7.147 6.999 52 HD2 ARG 10 1HD ARG 10 17.515 -5.417 8.535 53 HD3 ARG 10 2HD ARG 10 15.879 -5.051 9.081 54 HE ARG 10 HE ARG 10 16.267 -7.834 9.124 55 HH11 ARG 10 2HH1 ARG 10 17.294 -4.950 10.781 56 HH12 ARG 10 1HH1 ARG 10 17.576 -5.758 12.287 57 HH21 ARG 10 2HH2 ARG 10 16.634 -8.910 11.101 58 HH22 ARG 10 1HH2 ARG 10 17.201 -8.011 12.468 59 H PHE 11 H PHE 11 13.296 -5.499 5.708 60 HA PHE 11 HA PHE 11 12.276 -2.911 4.942 61 HB2 PHE 11 1HB PHE 11 11.123 -5.449 5.981 62 HB3 PHE 11 2HB PHE 11 10.215 -3.970 6.278 63 HD1 PHE 11 2HD PHE 11 9.954 -2.423 4.141 64 HD2 PHE 11 1HD PHE 11 10.687 -6.615 4.057 65 HE1 PHE 11 2HE PHE 11 9.023 -2.537 1.866 66 HE2 PHE 11 1HE PHE 11 9.759 -6.735 1.782 67 HZ PHE 11 HZ PHE 11 8.924 -4.695 0.684 68 H GLN 12 H GLN 12 13.281 -1.390 6.226 69 HA GLN 12 HA GLN 12 13.624 -1.584 9.011 70 HB2 GLN 12 1HB GLN 12 14.854 0.003 7.563 71 HB3 GLN 12 2HB GLN 12 13.370 0.917 7.332 72 HG2 GLN 12 1HG GLN 12 13.307 1.243 9.820 73 HG3 GLN 12 2HG GLN 12 14.927 0.550 9.875 74 HE21 GLN 12 1HE2 GLN 12 13.023 3.142 8.424 75 HE22 GLN 12 2HE2 GLN 12 14.324 4.273 8.302 76 H GLU 13 H GLU 13 11.229 0.313 7.166 77 HA GLU 13 HA GLU 13 9.384 0.011 9.437 78 HB2 GLU 13 1HB GLU 13 9.977 2.516 7.862 79 HB3 GLU 13 2HB GLU 13 8.550 2.336 8.874 80 HG2 GLU 13 1HG GLU 13 9.837 2.196 10.841 81 HG3 GLU 13 2HG GLU 13 11.332 1.966 9.936 82 H ALA 14 H ALA 14 8.861 -1.818 7.842 83 HA ALA 14 HA ALA 14 7.675 -1.407 5.370 84 HB1 ALA 14 1HB ALA 14 7.346 -3.610 5.434 85 HB2 ALA 14 2HB ALA 14 8.103 -3.574 7.026 86 HB3 ALA 14 3HB ALA 14 6.347 -3.499 6.883 87 H LEU 15 H LEU 15 5.260 -1.904 4.953 88 HA LEU 15 HA LEU 15 3.720 0.245 5.694 89 HB2 LEU 15 1HB LEU 15 2.800 -2.525 4.944 90 HB3 LEU 15 2HB LEU 15 1.762 -1.102 4.992 91 HG LEU 15 HG LEU 15 4.183 -1.056 3.252 92 HD11 LEU 15 1HD1 LEU 15 1.913 -1.942 1.762 93 HD12 LEU 15 2HD1 LEU 15 2.248 -3.091 3.056 94 HD13 LEU 15 3HD1 LEU 15 3.512 -2.675 1.898 95 HD21 LEU 15 1HD2 LEU 15 1.575 -0.057 2.344 96 HD22 LEU 15 2HD2 LEU 15 3.167 0.702 2.290 97 HD23 LEU 15 3HD2 LEU 15 2.221 0.742 3.778 98 H LYS 16 H LYS 16 1.582 0.127 6.906 99 HA LYS 16 HA LYS 16 1.723 -1.558 9.294 100 HB2 LYS 16 1HB LYS 16 1.425 1.451 9.359 101 HB3 LYS 16 2HB LYS 16 1.252 0.387 10.749 102 HG2 LYS 16 1HG LYS 16 3.530 -0.146 10.770 103 HG3 LYS 16 2HG LYS 16 3.776 0.467 9.133 104 HD2 LYS 16 1HD LYS 16 2.912 2.251 11.393 105 HD3 LYS 16 2HD LYS 16 4.613 1.912 11.066 106 HE2 LYS 16 1HE LYS 16 4.439 2.850 8.867 107 HE3 LYS 16 2HE LYS 16 2.690 3.012 9.022 108 HZ1 LYS 16 1HZ LYS 16 4.633 4.429 10.760 109 HZ2 LYS 16 2HZ LYS 16 2.964 4.683 10.672 110 HZ3 LYS 16 3HZ LYS 16 3.953 5.106 9.366 111 H ASP 17 H ASP 17 -0.331 -1.199 10.661 112 HA ASP 17 HA ASP 17 -2.578 -1.633 8.931 113 HB2 ASP 17 1HB ASP 17 -3.828 -2.040 10.993 114 HB3 ASP 17 2HB ASP 17 -2.294 -2.906 11.019 115 H LEU 18 H LEU 18 -3.926 -0.151 8.173 116 HA LEU 18 HA LEU 18 -4.153 2.411 9.611 117 HB2 LEU 18 1HB LEU 18 -3.955 1.827 6.680 118 HB3 LEU 18 2HB LEU 18 -4.738 3.298 7.254 119 HG LEU 18 HG LEU 18 -2.559 3.795 8.473 120 HD11 LEU 18 1HD1 LEU 18 -1.309 1.877 8.515 121 HD12 LEU 18 2HD1 LEU 18 -0.616 2.684 7.108 122 HD13 LEU 18 3HD1 LEU 18 -1.795 1.391 6.891 123 HD21 LEU 18 1HD2 LEU 18 -1.727 3.890 5.715 124 HD22 LEU 18 2HD2 LEU 18 -2.203 5.204 6.791 125 HD23 LEU 18 3HD2 LEU 18 -3.429 4.325 5.876 126 H GLU 19 H GLU 19 -6.192 3.452 9.566 127 HA GLU 19 HA GLU 19 -8.447 1.835 8.614 128 HB2 GLU 19 1HB GLU 19 -8.284 1.263 10.940 129 HB3 GLU 19 2HB GLU 19 -8.112 2.952 11.398 130 HG2 GLU 19 1HG GLU 19 -10.571 2.134 9.951 131 HG3 GLU 19 2HG GLU 19 -10.398 1.672 11.643 132 H VAL 20 H VAL 20 -9.798 3.013 7.439 133 HA VAL 20 HA VAL 20 -10.210 5.835 8.091 134 HB VAL 20 HB VAL 20 -9.461 4.852 5.335 135 HG11 VAL 20 1HG1 VAL 20 -11.156 6.488 5.052 136 HG12 VAL 20 2HG1 VAL 20 -10.452 7.529 6.290 137 HG13 VAL 20 3HG1 VAL 20 -9.619 7.297 4.752 138 HG21 VAL 20 1HG2 VAL 20 -7.460 5.108 6.499 139 HG22 VAL 20 2HG2 VAL 20 -7.661 6.661 5.690 140 HG23 VAL 20 3HG2 VAL 20 -8.052 6.503 7.402 141 H LEU 21 H LEU 21 -12.123 6.748 7.072 142 HA LEU 21 HA LEU 21 -14.258 4.801 6.950 143 HB2 LEU 21 1HB LEU 21 -14.198 7.209 8.028 144 HB3 LEU 21 2HB LEU 21 -14.696 7.695 6.409 145 HG LEU 21 HG LEU 21 -16.544 5.853 6.791 146 HD11 LEU 21 1HD1 LEU 21 -15.343 5.452 9.108 147 HD12 LEU 21 2HD1 LEU 21 -17.094 5.326 8.938 148 HD13 LEU 21 3HD1 LEU 21 -16.376 6.794 9.603 149 HD21 LEU 21 1HD2 LEU 21 -18.049 7.567 7.344 150 HD22 LEU 21 2HD2 LEU 21 -16.745 8.373 6.471 151 HD23 LEU 21 3HD2 LEU 21 -16.824 8.475 8.231 152 H GLU 22 H GLU 22 -15.573 4.370 5.203 153 HA GLU 22 HA GLU 22 -14.474 4.283 2.676 154 HB2 GLU 22 1HB GLU 22 -16.546 3.520 1.906 155 HB3 GLU 22 2HB GLU 22 -16.549 3.080 3.607 156 HG2 GLU 22 1HG GLU 22 -18.013 4.846 4.162 157 HG3 GLU 22 2HG GLU 22 -17.806 5.607 2.585 158 H GLY 23 H GLY 23 -15.378 5.341 0.669 159 HA2 GLY 23 1HA GLY 23 -15.753 7.222 -0.597 160 HA3 GLY 23 2HA GLY 23 -16.595 7.891 0.793 161 H GLY 24 H GLY 24 -13.217 6.879 0.721 162 HA2 GLY 24 1HA GLY 24 -12.367 9.685 0.678 163 HA3 GLY 24 2HA GLY 24 -11.948 8.717 2.084 164 H ALA 25 H ALA 25 -9.744 8.803 1.787 165 HA ALA 25 HA ALA 25 -8.731 7.113 -0.375 166 HB1 ALA 25 1HB ALA 25 -8.026 9.971 0.078 167 HB2 ALA 25 2HB ALA 25 -6.777 8.862 -0.491 168 HB3 ALA 25 3HB ALA 25 -8.251 9.089 -1.433 169 H ALA 26 H ALA 26 -6.892 5.959 0.132 170 HA ALA 26 HA ALA 26 -5.957 6.213 2.917 171 HB1 ALA 26 1HB ALA 26 -6.886 3.914 1.399 172 HB2 ALA 26 2HB ALA 26 -5.310 3.649 2.146 173 HB3 ALA 26 3HB ALA 26 -6.689 4.118 3.140 174 H THR 27 H THR 27 -3.974 7.020 3.017 175 HA THR 27 HA THR 27 -2.109 6.507 0.804 176 HB THR 27 HB THR 27 -1.788 8.569 2.986 177 HG1 THR 27 1HG THR 27 -2.435 9.926 0.987 178 HG21 THR 27 1HG2 THR 27 -0.518 8.253 0.264 179 HG22 THR 27 2HG2 THR 27 0.267 7.992 1.821 180 HG23 THR 27 3HG2 THR 27 -0.257 9.611 1.357 181 H LEU 28 H LEU 28 -0.964 4.712 1.212 182 HA LEU 28 HA LEU 28 -0.087 4.115 3.924 183 HB2 LEU 28 1HB LEU 28 0.346 2.552 1.384 184 HB3 LEU 28 2HB LEU 28 0.644 1.989 3.027 185 HG LEU 28 HG LEU 28 -1.863 2.310 3.407 186 HD11 LEU 28 1HD1 LEU 28 -1.717 2.547 0.414 187 HD12 LEU 28 2HD1 LEU 28 -2.500 3.632 1.562 188 HD13 LEU 28 3HD1 LEU 28 -3.174 2.031 1.263 189 HD21 LEU 28 1HD2 LEU 28 -1.522 0.199 1.369 190 HD22 LEU 28 2HD2 LEU 28 -2.151 0.102 3.014 191 HD23 LEU 28 3HD2 LEU 28 -0.410 0.159 2.738 192 H ARG 29 H ARG 29 2.100 3.776 4.488 193 HA ARG 29 HA ARG 29 4.114 4.768 2.608 194 HB2 ARG 29 1HB ARG 29 3.388 5.960 5.242 195 HB3 ARG 29 2HB ARG 29 5.088 5.927 4.791 196 HG2 ARG 29 1HG ARG 29 4.595 7.165 2.761 197 HG3 ARG 29 2HG ARG 29 2.876 7.158 3.160 198 HD2 ARG 29 1HD ARG 29 3.593 8.294 5.351 199 HD3 ARG 29 2HD ARG 29 5.121 8.602 4.527 200 HE ARG 29 HE ARG 29 4.089 10.264 3.357 201 HH11 ARG 29 2HH1 ARG 29 1.657 8.106 4.603 202 HH12 ARG 29 1HH1 ARG 29 0.330 9.084 4.069 203 HH21 ARG 29 2HH2 ARG 29 2.350 11.559 2.649 204 HH22 ARG 29 1HH2 ARG 29 0.725 11.047 2.957 205 H CYS 30 H CYS 30 6.254 4.079 3.057 206 HA CYS 30 HA CYS 30 6.846 2.391 5.286 207 HB2 CYS 30 1HB CYS 30 7.239 0.322 4.013 208 HB3 CYS 30 2HB CYS 30 5.545 0.796 3.967 209 HG CYS 30 HG CYS 30 5.384 1.360 1.389 210 H VAL 31 H VAL 31 9.017 2.184 5.591 211 HA VAL 31 HA VAL 31 10.748 3.340 3.503 212 HB VAL 31 HB VAL 31 11.161 3.371 6.496 213 HG11 VAL 31 1HG1 VAL 31 12.811 4.651 4.320 214 HG12 VAL 31 2HG1 VAL 31 13.114 4.727 6.057 215 HG13 VAL 31 3HG1 VAL 31 13.255 3.191 5.203 216 HG21 VAL 31 1HG2 VAL 31 10.567 5.649 4.610 217 HG22 VAL 31 2HG2 VAL 31 9.390 4.897 5.687 218 HG23 VAL 31 3HG2 VAL 31 10.778 5.754 6.358 219 H LEU 32 H LEU 32 12.676 2.338 3.009 220 HA LEU 32 HA LEU 32 12.989 -0.384 4.085 221 HB2 LEU 32 1HB LEU 32 14.025 0.697 1.472 222 HB3 LEU 32 2HB LEU 32 14.055 -0.980 2.013 223 HG LEU 32 HG LEU 32 11.442 -0.676 2.047 224 HD11 LEU 32 1HD1 LEU 32 12.016 1.827 1.289 225 HD12 LEU 32 2HD1 LEU 32 10.536 0.991 0.821 226 HD13 LEU 32 3HD1 LEU 32 11.898 1.062 -0.296 227 HD21 LEU 32 1HD2 LEU 32 11.496 -1.284 -0.458 228 HD22 LEU 32 2HD2 LEU 32 12.322 -2.342 0.686 229 HD23 LEU 32 3HD2 LEU 32 13.249 -1.197 -0.285 230 H SER 33 H SER 33 15.160 -1.197 4.356 231 HA SER 33 HA SER 33 16.812 0.436 5.859 232 HB2 SER 33 1HB SER 33 17.000 -1.965 6.011 233 HB3 SER 33 2HB SER 33 17.484 -2.081 4.319 234 HG SER 33 HG SER 33 18.978 -1.474 6.533 235 H SER 34 H SER 34 16.836 -0.192 2.403 236 HA SER 34 HA SER 34 18.756 2.005 2.079 237 HB2 SER 34 1HB SER 34 18.889 -0.542 0.454 238 HB3 SER 34 2HB SER 34 20.029 0.804 0.432 239 HG SER 34 HG SER 34 21.031 -0.151 1.997 240 H VAL 35 H VAL 35 18.862 2.638 -0.336 241 HA VAL 35 HA VAL 35 16.108 3.009 -1.220 242 HB VAL 35 HB VAL 35 18.553 4.242 -2.473 243 HG11 VAL 35 1HG1 VAL 35 15.950 4.267 -3.263 244 HG12 VAL 35 2HG1 VAL 35 16.036 5.733 -2.284 245 HG13 VAL 35 3HG1 VAL 35 17.130 5.518 -3.651 246 HG21 VAL 35 1HG2 VAL 35 17.423 4.724 0.162 247 HG22 VAL 35 2HG2 VAL 35 18.945 5.279 -0.534 248 HG23 VAL 35 3HG2 VAL 35 17.458 6.175 -0.840 249 H ALA 36 H ALA 36 15.366 1.365 -2.421 250 HA ALA 36 HA ALA 36 16.901 0.634 -4.813 251 HB1 ALA 36 1HB ALA 36 16.224 -1.114 -2.591 252 HB2 ALA 36 2HB ALA 36 15.646 -1.724 -4.141 253 HB3 ALA 36 3HB ALA 36 17.357 -1.358 -3.921 254 H ALA 37 H ALA 37 15.714 0.563 -6.627 255 HA ALA 37 HA ALA 37 12.909 -0.045 -6.618 256 HB1 ALA 37 1HB ALA 37 13.749 2.710 -6.427 257 HB2 ALA 37 2HB ALA 37 12.824 2.421 -7.901 258 HB3 ALA 37 3HB ALA 37 12.130 2.017 -6.331 259 HA PRO 38 HA PRO 38 11.304 1.141 -8.272 260 HB2 PRO 38 1HB PRO 38 9.728 -0.428 -9.829 261 HB3 PRO 38 2HB PRO 38 10.422 1.097 -10.393 262 HG2 PRO 38 1HG PRO 38 11.365 -1.704 -10.869 263 HG3 PRO 38 2HG PRO 38 11.257 -0.350 -12.010 264 HD2 PRO 38 1HD PRO 38 13.586 -1.089 -10.844 265 HD3 PRO 38 2HD PRO 38 13.224 0.596 -11.270 266 H VAL 39 H VAL 39 9.352 -0.103 -7.425 267 HA VAL 39 HA VAL 39 10.272 -2.595 -6.147 268 HB VAL 39 HB VAL 39 8.239 -0.653 -5.046 269 HG11 VAL 39 1HG1 VAL 39 9.594 -3.075 -3.869 270 HG12 VAL 39 2HG1 VAL 39 8.612 -1.933 -2.949 271 HG13 VAL 39 3HG1 VAL 39 7.881 -2.887 -4.240 272 HG21 VAL 39 1HG2 VAL 39 10.668 -0.851 -3.519 273 HG22 VAL 39 2HG2 VAL 39 11.019 -0.337 -5.170 274 HG23 VAL 39 3HG2 VAL 39 9.879 0.579 -4.184 275 H LYS 40 H LYS 40 8.620 -4.182 -5.650 276 HA LYS 40 HA LYS 40 6.480 -4.178 -7.668 277 HB2 LYS 40 1HB LYS 40 8.343 -6.014 -7.513 278 HB3 LYS 40 2HB LYS 40 7.359 -6.636 -6.195 279 HG2 LYS 40 1HG LYS 40 5.445 -6.808 -7.715 280 HG3 LYS 40 2HG LYS 40 6.452 -6.209 -9.035 281 HD2 LYS 40 1HD LYS 40 7.980 -8.152 -8.635 282 HD3 LYS 40 2HD LYS 40 6.791 -8.776 -7.490 283 HE2 LYS 40 1HE LYS 40 5.170 -9.064 -9.188 284 HE3 LYS 40 2HE LYS 40 6.103 -8.110 -10.341 285 HZ1 LYS 40 1HZ LYS 40 6.330 -10.897 -9.656 286 HZ2 LYS 40 2HZ LYS 40 7.815 -10.089 -9.689 287 HZ3 LYS 40 3HZ LYS 40 6.820 -10.084 -11.057 288 H TRP 41 H TRP 41 4.484 -3.851 -6.969 289 HA TRP 41 HA TRP 41 3.885 -4.227 -4.129 290 HB2 TRP 41 1HB TRP 41 2.635 -2.628 -6.336 291 HB3 TRP 41 2HB TRP 41 1.686 -3.042 -4.911 292 HD1 TRP 41 HD TRP 41 5.036 -1.268 -5.742 293 HE1 TRP 41 1HE TRP 41 5.404 0.585 -3.994 294 HE3 TRP 41 3HE TRP 41 0.971 -2.142 -2.768 295 HZ2 TRP 41 2HZ TRP 41 4.138 1.548 -1.662 296 HZ3 TRP 41 3HZ TRP 41 0.622 -0.710 -0.797 297 HH2 TRP 41 HH TRP 41 2.174 1.096 -0.258 298 H CYS 42 H CYS 42 1.989 -5.334 -3.444 299 HA CYS 42 HA CYS 42 0.707 -7.075 -5.415 300 HB2 CYS 42 1HB CYS 42 2.552 -8.397 -4.502 301 HB3 CYS 42 2HB CYS 42 1.998 -8.067 -2.865 302 HG CYS 42 HG CYS 42 1.145 -10.505 -4.864 303 H TYR 43 H TYR 43 -1.425 -7.183 -5.127 304 HA TYR 43 HA TYR 43 -2.514 -6.477 -2.482 305 HB2 TYR 43 1HB TYR 43 -3.064 -4.583 -3.707 306 HB3 TYR 43 2HB TYR 43 -3.272 -5.484 -5.204 307 HD1 TYR 43 2HD TYR 43 -4.796 -5.558 -1.784 308 HD2 TYR 43 1HD TYR 43 -5.432 -5.489 -5.990 309 HE1 TYR 43 2HE TYR 43 -7.227 -5.603 -1.412 310 HE2 TYR 43 1HE TYR 43 -7.864 -5.532 -5.630 311 HH TYR 43 HH TYR 43 -9.455 -4.838 -3.727 312 H GLY 44 H GLY 44 -3.181 -8.396 -1.709 313 HA2 GLY 44 1HA GLY 44 -4.534 -10.240 -1.471 314 HA3 GLY 44 2HA GLY 44 -5.462 -9.652 -2.843 315 H ASN 45 H ASN 45 -4.880 -10.303 -4.950 316 HA ASN 45 HA ASN 45 -3.033 -12.595 -5.051 317 HB2 ASN 45 1HB ASN 45 -4.572 -13.536 -6.822 318 HB3 ASN 45 2HB ASN 45 -5.230 -13.520 -5.189 319 HD21 ASN 45 1HD2 ASN 45 -6.075 -13.089 -8.243 320 HD22 ASN 45 2HD2 ASN 45 -7.321 -11.904 -8.077 321 H ASN 46 H ASN 46 -4.795 -10.329 -7.173 322 HA ASN 46 HA ASN 46 -2.959 -10.542 -9.314 323 HB2 ASN 46 1HB ASN 46 -5.000 -8.412 -8.646 324 HB3 ASN 46 2HB ASN 46 -4.094 -8.467 -10.156 325 HD21 ASN 46 1HD2 ASN 46 -6.868 -8.537 -10.036 326 HD22 ASN 46 2HD2 ASN 46 -7.409 -10.079 -10.595 327 H VAL 47 H VAL 47 -1.584 -8.812 -10.146 328 HA VAL 47 HA VAL 47 -0.073 -7.573 -7.976 329 HB VAL 47 HB VAL 47 1.072 -8.925 -9.764 330 HG11 VAL 47 1HG1 VAL 47 1.019 -6.612 -11.597 331 HG12 VAL 47 2HG1 VAL 47 1.078 -8.341 -11.948 332 HG13 VAL 47 3HG1 VAL 47 -0.454 -7.579 -11.519 333 HG21 VAL 47 1HG2 VAL 47 1.871 -6.614 -8.452 334 HG22 VAL 47 2HG2 VAL 47 2.920 -7.797 -9.233 335 HG23 VAL 47 3HG2 VAL 47 2.386 -6.370 -10.121 336 H LEU 48 H LEU 48 -0.093 -5.457 -7.560 337 HA LEU 48 HA LEU 48 -1.915 -3.730 -8.886 338 HB2 LEU 48 1HB LEU 48 0.246 -3.220 -6.856 339 HB3 LEU 48 2HB LEU 48 -0.836 -1.964 -7.453 340 HG LEU 48 HG LEU 48 -1.682 -4.434 -5.939 341 HD11 LEU 48 1HD1 LEU 48 -1.538 -3.281 -4.030 342 HD12 LEU 48 2HD1 LEU 48 -2.152 -1.801 -4.765 343 HD13 LEU 48 3HD1 LEU 48 -0.446 -2.220 -4.919 344 HD21 LEU 48 1HD2 LEU 48 -3.695 -2.527 -5.869 345 HD22 LEU 48 2HD2 LEU 48 -3.686 -4.017 -6.812 346 HD23 LEU 48 3HD2 LEU 48 -3.133 -2.508 -7.540 347 H ARG 49 H ARG 49 -1.583 -2.097 -10.335 348 HA ARG 49 HA ARG 49 1.154 -1.701 -11.333 349 HB2 ARG 49 1HB ARG 49 -1.282 -1.931 -13.106 350 HB3 ARG 49 2HB ARG 49 0.389 -1.740 -13.622 351 HG2 ARG 49 1HG ARG 49 0.694 -3.982 -12.260 352 HG3 ARG 49 2HG ARG 49 -1.026 -4.145 -12.617 353 HD2 ARG 49 1HD ARG 49 0.350 -5.233 -14.320 354 HD3 ARG 49 2HD ARG 49 -0.572 -3.890 -14.995 355 HE ARG 49 HE ARG 49 2.061 -3.125 -14.178 356 HH11 ARG 49 2HH1 ARG 49 0.204 -4.587 -16.734 357 HH12 ARG 49 1HH1 ARG 49 1.339 -4.171 -17.974 358 HH21 ARG 49 2HH2 ARG 49 3.564 -2.571 -15.802 359 HH22 ARG 49 1HH2 ARG 49 3.251 -3.025 -17.443 360 HA PRO 50 HA PRO 50 0.227 2.582 -10.930 361 HB2 PRO 50 1HB PRO 50 2.070 3.589 -12.650 362 HB3 PRO 50 2HB PRO 50 2.494 2.932 -11.065 363 HG2 PRO 50 1HG PRO 50 2.665 1.638 -13.760 364 HG3 PRO 50 2HG PRO 50 3.833 1.604 -12.426 365 HD2 PRO 50 1HD PRO 50 2.135 -0.445 -12.929 366 HD3 PRO 50 2HD PRO 50 2.677 -0.034 -11.289 367 H GLY 51 H GLY 51 -1.149 4.008 -11.845 368 HA2 GLY 51 1HA GLY 51 -1.380 4.521 -14.604 369 HA3 GLY 51 2HA GLY 51 -2.608 3.349 -14.146 370 H ASP 52 H ASP 52 -4.488 4.113 -13.438 371 HA ASP 52 HA ASP 52 -4.600 6.939 -12.615 372 HB2 ASP 52 1HB ASP 52 -6.795 5.248 -13.832 373 HB3 ASP 52 2HB ASP 52 -6.918 6.953 -13.404 374 H LYS 53 H LYS 53 -6.455 3.924 -12.153 375 HA LYS 53 HA LYS 53 -7.821 4.589 -9.872 376 HB2 LYS 53 1HB LYS 53 -7.820 2.404 -11.301 377 HB3 LYS 53 2HB LYS 53 -6.627 1.850 -10.133 378 HG2 LYS 53 1HG LYS 53 -9.181 2.995 -9.127 379 HG3 LYS 53 2HG LYS 53 -9.184 1.365 -9.806 380 HD2 LYS 53 1HD LYS 53 -7.790 0.535 -8.156 381 HD3 LYS 53 2HD LYS 53 -7.129 2.126 -7.772 382 HE2 LYS 53 1HE LYS 53 -8.982 2.731 -6.514 383 HE3 LYS 53 2HE LYS 53 -10.023 1.540 -7.291 384 HZ1 LYS 53 1HZ LYS 53 -8.969 -0.205 -6.102 385 HZ2 LYS 53 2HZ LYS 53 -9.364 0.990 -4.972 386 HZ3 LYS 53 3HZ LYS 53 -7.767 0.824 -5.504 387 H TYR 54 H TYR 54 -4.585 3.120 -10.047 388 HA TYR 54 HA TYR 54 -4.205 3.783 -7.207 389 HB2 TYR 54 1HB TYR 54 -2.635 1.859 -8.936 390 HB3 TYR 54 2HB TYR 54 -2.403 2.127 -7.212 391 HD1 TYR 54 1HD TYR 54 -4.257 1.486 -5.625 392 HD2 TYR 54 2HD TYR 54 -4.257 0.337 -9.721 393 HE1 TYR 54 1HE TYR 54 -5.903 -0.271 -5.125 394 HE2 TYR 54 2HE TYR 54 -5.905 -1.423 -9.233 395 HH TYR 54 HH TYR 54 -6.899 -2.603 -7.566 396 H SER 55 H SER 55 -1.890 4.342 -6.635 397 HA SER 55 HA SER 55 -0.434 5.752 -8.723 398 HB2 SER 55 1HB SER 55 -2.142 7.348 -7.711 399 HB3 SER 55 2HB SER 55 -1.223 7.230 -6.210 400 HG SER 55 HG SER 55 0.628 7.789 -7.757 401 H LEU 56 H LEU 56 1.469 4.753 -8.497 402 HA LEU 56 HA LEU 56 2.606 4.527 -5.789 403 HB2 LEU 56 1HB LEU 56 3.191 2.884 -8.248 404 HB3 LEU 56 2HB LEU 56 3.999 2.708 -6.692 405 HG LEU 56 HG LEU 56 1.629 2.224 -5.776 406 HD11 LEU 56 1HD1 LEU 56 -0.078 2.001 -7.183 407 HD12 LEU 56 2HD1 LEU 56 0.871 1.015 -8.296 408 HD13 LEU 56 3HD1 LEU 56 0.939 2.774 -8.400 409 HD21 LEU 56 1HD2 LEU 56 3.681 0.651 -6.395 410 HD22 LEU 56 2HD2 LEU 56 2.517 0.034 -7.568 411 HD23 LEU 56 3HD2 LEU 56 2.133 0.009 -5.846 412 H ARG 57 H ARG 57 4.485 5.518 -5.350 413 HA ARG 57 HA ARG 57 6.134 6.494 -7.567 414 HB2 ARG 57 1HB ARG 57 4.660 8.348 -6.898 415 HB3 ARG 57 2HB ARG 57 5.228 8.198 -5.240 416 HG2 ARG 57 1HG ARG 57 7.289 9.102 -5.719 417 HG3 ARG 57 2HG ARG 57 7.196 8.672 -7.428 418 HD2 ARG 57 1HD ARG 57 5.211 10.344 -7.474 419 HD3 ARG 57 2HD ARG 57 5.909 10.948 -5.972 420 HE ARG 57 HE ARG 57 7.681 11.818 -7.168 421 HH11 ARG 57 2HH1 ARG 57 5.726 9.795 -9.219 422 HH12 ARG 57 1HH1 ARG 57 6.495 10.312 -10.683 423 HH21 ARG 57 2HH2 ARG 57 8.701 12.507 -9.088 424 HH22 ARG 57 1HH2 ARG 57 8.187 11.854 -10.607 425 H GLN 58 H GLN 58 8.312 7.128 -6.890 426 HA GLN 58 HA GLN 58 9.154 5.740 -4.432 427 HB2 GLN 58 1HB GLN 58 9.918 4.415 -6.253 428 HB3 GLN 58 2HB GLN 58 10.470 5.828 -7.142 429 HG2 GLN 58 1HG GLN 58 12.434 4.913 -6.350 430 HG3 GLN 58 2HG GLN 58 12.082 6.173 -5.167 431 HE21 GLN 58 1HE2 GLN 58 13.533 4.915 -3.812 432 HE22 GLN 58 2HE2 GLN 58 12.902 3.574 -2.924 433 H GLU 59 H GLU 59 10.392 6.850 -3.038 434 HA GLU 59 HA GLU 59 11.882 9.184 -3.915 435 HB2 GLU 59 1HB GLU 59 9.486 9.878 -3.300 436 HB3 GLU 59 2HB GLU 59 9.934 9.503 -1.642 437 HG2 GLU 59 1HG GLU 59 11.517 11.219 -1.557 438 HG3 GLU 59 2HG GLU 59 11.550 11.394 -3.310 439 H GLY 60 H GLY 60 13.829 8.588 -3.182 440 HA2 GLY 60 1HA GLY 60 15.408 7.599 -1.783 441 HA3 GLY 60 2HA GLY 60 14.789 8.842 -0.706 442 H ALA 61 H ALA 61 14.140 5.515 -1.777 443 HA ALA 61 HA ALA 61 13.265 3.712 -0.689 444 HB1 ALA 61 1HB ALA 61 14.002 3.581 1.780 445 HB2 ALA 61 2HB ALA 61 15.241 3.582 0.524 446 HB3 ALA 61 3HB ALA 61 14.901 5.057 1.428 447 H MET 62 H MET 62 11.334 5.542 -1.079 448 HA MET 62 HA MET 62 9.651 5.156 1.267 449 HB2 MET 62 1HB MET 62 10.848 7.517 1.155 450 HB3 MET 62 2HB MET 62 9.557 7.862 0.011 451 HG2 MET 62 1HG MET 62 7.889 7.348 1.676 452 HG3 MET 62 2HG MET 62 9.142 6.872 2.821 453 HE1 MET 62 1HE MET 62 10.380 8.023 4.109 454 HE2 MET 62 2HE MET 62 10.765 9.744 4.115 455 HE3 MET 62 3HE MET 62 9.321 9.161 4.943 456 H LEU 63 H LEU 63 7.978 4.071 0.471 457 HA LEU 63 HA LEU 63 6.985 4.753 -2.210 458 HB2 LEU 63 1HB LEU 63 6.603 2.275 -0.539 459 HB3 LEU 63 2HB LEU 63 5.845 2.551 -2.105 460 HG LEU 63 HG LEU 63 7.662 1.128 -2.531 461 HD11 LEU 63 1HD1 LEU 63 7.443 3.343 -3.881 462 HD12 LEU 63 2HD1 LEU 63 8.848 2.305 -4.115 463 HD13 LEU 63 3HD1 LEU 63 8.975 3.746 -3.107 464 HD21 LEU 63 1HD2 LEU 63 9.827 2.757 -1.448 465 HD22 LEU 63 2HD2 LEU 63 9.543 1.021 -1.329 466 HD23 LEU 63 3HD2 LEU 63 8.736 2.125 -0.214 467 H GLU 64 H GLU 64 4.942 5.462 -2.522 468 HA GLU 64 HA GLU 64 3.133 5.519 -0.204 469 HB2 GLU 64 1HB GLU 64 4.177 7.734 -0.477 470 HB3 GLU 64 2HB GLU 64 3.604 7.795 -2.137 471 HG2 GLU 64 1HG GLU 64 1.279 7.670 -1.283 472 HG3 GLU 64 2HG GLU 64 1.921 7.769 0.355 473 H LEU 65 H LEU 65 1.485 4.247 -0.737 474 HA LEU 65 HA LEU 65 0.523 4.238 -3.510 475 HB2 LEU 65 1HB LEU 65 1.000 2.050 -2.834 476 HB3 LEU 65 2HB LEU 65 0.289 2.295 -1.240 477 HG LEU 65 HG LEU 65 -1.919 2.588 -2.681 478 HD11 LEU 65 1HD1 LEU 65 -0.557 0.508 -4.329 479 HD12 LEU 65 2HD1 LEU 65 -0.398 2.210 -4.764 480 HD13 LEU 65 3HD1 LEU 65 -1.994 1.465 -4.686 481 HD21 LEU 65 1HD2 LEU 65 -1.163 0.834 -0.908 482 HD22 LEU 65 2HD2 LEU 65 -0.940 -0.210 -2.312 483 HD23 LEU 65 3HD2 LEU 65 -2.527 0.481 -1.969 484 H VAL 66 H VAL 66 -1.182 5.453 -3.952 485 HA VAL 66 HA VAL 66 -3.057 6.120 -1.788 486 HB VAL 66 HB VAL 66 -2.728 7.479 -4.466 487 HG11 VAL 66 1HG1 VAL 66 -4.084 8.669 -2.085 488 HG12 VAL 66 2HG1 VAL 66 -4.297 9.033 -3.799 489 HG13 VAL 66 3HG1 VAL 66 -4.961 7.545 -3.122 490 HG21 VAL 66 1HG2 VAL 66 -1.665 9.293 -3.166 491 HG22 VAL 66 2HG2 VAL 66 -1.702 8.260 -1.738 492 HG23 VAL 66 3HG2 VAL 66 -0.733 7.796 -3.137 493 H VAL 67 H VAL 67 -5.202 5.666 -1.933 494 HA VAL 67 HA VAL 67 -6.156 4.347 -4.386 495 HB VAL 67 HB VAL 67 -6.705 3.449 -1.554 496 HG11 VAL 67 1HG1 VAL 67 -8.628 3.322 -3.220 497 HG12 VAL 67 2HG1 VAL 67 -7.665 2.107 -4.064 498 HG13 VAL 67 3HG1 VAL 67 -8.178 1.828 -2.400 499 HG21 VAL 67 1HG2 VAL 67 -5.568 1.393 -2.221 500 HG22 VAL 67 2HG2 VAL 67 -5.250 2.077 -3.815 501 HG23 VAL 67 3HG2 VAL 67 -4.501 2.788 -2.385 502 H ARG 68 H ARG 68 -7.761 5.497 -5.216 503 HA ARG 68 HA ARG 68 -9.358 7.224 -3.491 504 HB2 ARG 68 1HB ARG 68 -9.053 7.002 -6.482 505 HB3 ARG 68 2HB ARG 68 -10.293 8.003 -5.737 506 HG2 ARG 68 1HG ARG 68 -7.454 8.355 -4.906 507 HG3 ARG 68 2HG ARG 68 -7.998 9.024 -6.446 508 HD2 ARG 68 1HD ARG 68 -9.852 10.153 -5.198 509 HD3 ARG 68 2HD ARG 68 -9.091 9.616 -3.701 510 HE ARG 68 HE ARG 68 -7.455 11.212 -3.983 511 HH11 ARG 68 2HH1 ARG 68 -9.382 10.961 -6.871 512 HH12 ARG 68 1HH1 ARG 68 -8.719 12.388 -7.595 513 HH21 ARG 68 2HH2 ARG 68 -6.573 13.093 -4.926 514 HH22 ARG 68 1HH2 ARG 68 -7.120 13.600 -6.488 515 H ASN 69 H ASN 69 -11.726 7.338 -3.886 516 HA ASN 69 HA ASN 69 -13.777 6.361 -3.772 517 HB2 ASN 69 1HB ASN 69 -12.804 4.362 -5.805 518 HB3 ASN 69 2HB ASN 69 -14.430 5.003 -5.594 519 HD21 ASN 69 1HD2 ASN 69 -14.749 7.284 -6.077 520 HD22 ASN 69 2HD2 ASN 69 -13.806 8.012 -7.328 521 H LEU 70 H LEU 70 -12.321 5.604 -1.698 522 HA LEU 70 HA LEU 70 -11.837 2.849 -1.389 523 HB2 LEU 70 1HB LEU 70 -12.213 5.148 0.471 524 HB3 LEU 70 2HB LEU 70 -12.210 3.511 1.125 525 HG LEU 70 HG LEU 70 -9.954 4.662 -0.508 526 HD11 LEU 70 1HD1 LEU 70 -10.473 4.699 2.441 527 HD12 LEU 70 2HD1 LEU 70 -9.925 6.004 1.389 528 HD13 LEU 70 3HD1 LEU 70 -8.828 4.687 1.804 529 HD21 LEU 70 1HD2 LEU 70 -8.695 2.788 0.369 530 HD22 LEU 70 2HD2 LEU 70 -10.136 2.208 -0.467 531 HD23 LEU 70 3HD2 LEU 70 -10.096 2.249 1.297 532 H ARG 71 H ARG 71 -13.050 1.196 -0.515 533 HA ARG 71 HA ARG 71 -15.834 1.734 0.195 534 HB2 ARG 71 1HB ARG 71 -15.251 -0.534 -1.677 535 HB3 ARG 71 2HB ARG 71 -16.777 0.281 -1.363 536 HG2 ARG 71 1HG ARG 71 -16.272 2.053 -2.749 537 HG3 ARG 71 2HG ARG 71 -14.533 1.777 -2.639 538 HD2 ARG 71 1HD ARG 71 -15.412 1.153 -4.838 539 HD3 ARG 71 2HD ARG 71 -14.749 -0.238 -3.982 540 HE ARG 71 HE ARG 71 -17.401 -0.281 -3.368 541 HH11 ARG 71 2HH1 ARG 71 -15.579 -0.217 -6.334 542 HH12 ARG 71 1HH1 ARG 71 -16.769 -1.095 -7.236 543 HH21 ARG 71 2HH2 ARG 71 -18.975 -1.438 -4.545 544 HH22 ARG 71 1HH2 ARG 71 -18.701 -1.789 -6.218 545 HA PRO 72 HA PRO 72 -15.134 -1.284 3.307 546 HB2 PRO 72 1HB PRO 72 -17.646 -2.253 3.649 547 HB3 PRO 72 2HB PRO 72 -17.153 -0.648 4.199 548 HG2 PRO 72 1HG PRO 72 -18.642 -1.426 1.722 549 HG3 PRO 72 2HG PRO 72 -18.943 -0.075 2.830 550 HD2 PRO 72 1HD PRO 72 -17.663 0.238 0.464 551 HD3 PRO 72 2HD PRO 72 -17.290 1.228 1.889 552 H GLN 73 H GLN 73 -15.769 -2.094 0.168 553 HA GLN 73 HA GLN 73 -15.907 -4.977 0.702 554 HB2 GLN 73 1HB GLN 73 -16.313 -3.469 -1.887 555 HB3 GLN 73 2HB GLN 73 -16.490 -5.206 -1.677 556 HG2 GLN 73 1HG GLN 73 -18.668 -4.446 -1.603 557 HG3 GLN 73 2HG GLN 73 -18.244 -4.596 0.102 558 HE21 GLN 73 1HE2 GLN 73 -20.189 -3.114 0.116 559 HE22 GLN 73 2HE2 GLN 73 -19.866 -1.417 0.061 560 H ASP 74 H ASP 74 -13.855 -2.472 -0.504 561 HA ASP 74 HA ASP 74 -12.026 -4.200 -1.882 562 HB2 ASP 74 1HB ASP 74 -11.335 -1.451 -0.877 563 HB3 ASP 74 2HB ASP 74 -10.756 -2.276 -2.322 564 H SER 75 H SER 75 -12.308 -2.879 1.348 565 HA SER 75 HA SER 75 -9.893 -3.049 2.481 566 HB2 SER 75 1HB SER 75 -11.066 -4.118 4.512 567 HB3 SER 75 2HB SER 75 -11.690 -2.575 3.931 568 HG SER 75 HG SER 75 -13.475 -3.775 4.087 569 H GLY 76 H GLY 76 -8.283 -4.465 2.600 570 HA2 GLY 76 1HA GLY 76 -8.768 -7.289 2.917 571 HA3 GLY 76 2HA GLY 76 -8.114 -6.867 1.341 572 H ARG 77 H ARG 77 -6.085 -7.645 1.435 573 HA ARG 77 HA ARG 77 -4.371 -6.639 3.610 574 HB2 ARG 77 1HB ARG 77 -4.710 -9.027 3.903 575 HB3 ARG 77 2HB ARG 77 -4.248 -9.327 2.234 576 HG2 ARG 77 1HG ARG 77 -1.999 -8.833 2.647 577 HG3 ARG 77 2HG ARG 77 -2.367 -8.037 4.178 578 HD2 ARG 77 1HD ARG 77 -1.585 -10.046 4.945 579 HD3 ARG 77 2HD ARG 77 -3.304 -10.413 4.806 580 HE ARG 77 HE ARG 77 -1.155 -11.476 3.189 581 HH11 ARG 77 2HH1 ARG 77 -4.585 -10.966 3.503 582 HH12 ARG 77 1HH1 ARG 77 -5.006 -12.241 2.408 583 HH21 ARG 77 2HH2 ARG 77 -1.697 -13.156 1.745 584 HH22 ARG 77 1HH2 ARG 77 -3.363 -13.486 1.409 585 H TYR 78 H TYR 78 -3.094 -5.123 2.782 586 HA TYR 78 HA TYR 78 -2.189 -5.347 0.009 587 HB2 TYR 78 1HB TYR 78 -1.890 -3.031 1.932 588 HB3 TYR 78 2HB TYR 78 -1.543 -3.010 0.206 589 HD1 TYR 78 2HD TYR 78 -4.319 -3.539 2.631 590 HD2 TYR 78 1HD TYR 78 -3.202 -2.389 -1.310 591 HE1 TYR 78 2HE TYR 78 -6.638 -2.853 2.180 592 HE2 TYR 78 1HE TYR 78 -5.517 -1.699 -1.772 593 HH TYR 78 HH TYR 78 -7.512 -1.090 -0.666 594 H SER 79 H SER 79 -0.328 -6.350 -0.325 595 HA SER 79 HA SER 79 1.819 -6.034 1.671 596 HB2 SER 79 1HB SER 79 2.675 -8.242 0.745 597 HB3 SER 79 2HB SER 79 1.177 -8.331 1.671 598 HG SER 79 HG SER 79 1.509 -9.293 -0.671 599 H CYS 80 H CYS 80 4.033 -6.195 0.774 600 HA CYS 80 HA CYS 80 4.206 -5.234 -1.999 601 HB2 CYS 80 1HB CYS 80 4.386 -3.319 -0.438 602 HB3 CYS 80 2HB CYS 80 5.755 -4.104 0.340 603 HG CYS 80 HG CYS 80 5.656 -2.920 -2.868 604 H SER 81 H SER 81 5.304 -6.719 -3.088 605 HA SER 81 HA SER 81 7.243 -8.414 -1.760 606 HB2 SER 81 1HB SER 81 5.624 -9.315 -3.438 607 HB3 SER 81 2HB SER 81 6.447 -8.372 -4.681 608 HG SER 81 HG SER 81 7.819 -9.942 -4.809 609 H PHE 82 H PHE 82 9.377 -8.140 -1.775 610 HA PHE 82 HA PHE 82 10.757 -6.842 -3.926 611 HB2 PHE 82 1HB PHE 82 9.769 -5.010 -2.321 612 HB3 PHE 82 2HB PHE 82 11.122 -5.468 -1.292 613 HD1 PHE 82 1HD PHE 82 10.859 -5.126 -4.991 614 HD2 PHE 82 2HD PHE 82 12.668 -3.763 -1.387 615 HE1 PHE 82 1HE PHE 82 12.341 -3.657 -6.294 616 HE2 PHE 82 2HE PHE 82 14.151 -2.291 -2.685 617 HZ PHE 82 HZ PHE 82 13.989 -2.236 -5.141 618 H GLY 83 H GLY 83 12.767 -7.637 -4.082 619 HA2 GLY 83 1HA GLY 83 14.636 -8.877 -3.596 620 HA3 GLY 83 2HA GLY 83 14.515 -8.193 -1.981 621 H ASP 84 H ASP 84 14.679 -9.776 -0.545 622 HA ASP 84 HA ASP 84 13.405 -12.358 -1.125 623 HB2 ASP 84 1HB ASP 84 15.768 -12.525 -0.614 624 HB3 ASP 84 2HB ASP 84 15.547 -11.610 0.874 625 H GLN 85 H GLN 85 13.212 -9.586 0.895 626 HA GLN 85 HA GLN 85 11.449 -10.947 2.796 627 HB2 GLN 85 1HB GLN 85 12.588 -8.146 2.842 628 HB3 GLN 85 2HB GLN 85 11.595 -8.861 4.105 629 HG2 GLN 85 1HG GLN 85 13.482 -10.705 4.053 630 HG3 GLN 85 2HG GLN 85 14.430 -9.370 3.399 631 HE21 GLN 85 1HE2 GLN 85 11.967 -9.717 5.935 632 HE22 GLN 85 2HE2 GLN 85 12.880 -8.923 7.167 633 H THR 86 H THR 86 9.311 -10.454 3.031 634 HA THR 86 HA THR 86 8.175 -8.462 1.185 635 HB THR 86 HB THR 86 7.002 -11.192 1.755 636 HG1 THR 86 1HG THR 86 7.383 -11.278 -0.652 637 HG21 THR 86 1HG2 THR 86 5.117 -9.955 1.356 638 HG22 THR 86 2HG2 THR 86 5.575 -10.326 -0.306 639 HG23 THR 86 3HG2 THR 86 5.975 -8.756 0.390 640 H THR 87 H THR 87 6.666 -7.141 2.029 641 HA THR 87 HA THR 87 5.944 -7.562 4.845 642 HB THR 87 HB THR 87 7.091 -5.435 4.283 643 HG1 THR 87 1HG THR 87 5.286 -4.091 5.216 644 HG21 THR 87 1HG2 THR 87 5.920 -5.303 1.995 645 HG22 THR 87 2HG2 THR 87 6.153 -3.802 2.892 646 HG23 THR 87 3HG2 THR 87 4.574 -4.587 2.881 647 H SER 88 H SER 88 3.774 -6.996 5.539 648 HA SER 88 HA SER 88 1.703 -6.888 3.509 649 HB2 SER 88 1HB SER 88 0.511 -8.861 4.358 650 HB3 SER 88 2HB SER 88 2.106 -9.305 3.749 651 HG SER 88 HG SER 88 1.549 -10.237 5.819 652 H ALA 89 H ALA 89 0.247 -5.461 4.161 653 HA ALA 89 HA ALA 89 -0.195 -5.120 7.056 654 HB1 ALA 89 1HB ALA 89 0.836 -3.135 6.534 655 HB2 ALA 89 2HB ALA 89 0.172 -3.093 4.900 656 HB3 ALA 89 3HB ALA 89 -0.857 -2.710 6.280 657 H THR 90 H THR 90 -2.347 -3.927 7.458 658 HA THR 90 HA THR 90 -4.410 -4.952 5.622 659 HB THR 90 HB THR 90 -4.500 -5.016 8.645 660 HG1 THR 90 1HG THR 90 -4.500 -7.112 6.708 661 HG21 THR 90 1HG2 THR 90 -6.583 -5.851 6.621 662 HG22 THR 90 2HG2 THR 90 -6.689 -4.462 7.703 663 HG23 THR 90 3HG2 THR 90 -6.684 -6.097 8.364 664 H LEU 91 H LEU 91 -6.207 -3.673 5.313 665 HA LEU 91 HA LEU 91 -6.160 -1.031 6.617 666 HB2 LEU 91 1HB LEU 91 -5.448 -0.951 4.255 667 HB3 LEU 91 2HB LEU 91 -6.996 -1.653 3.787 668 HG LEU 91 HG LEU 91 -8.023 0.427 4.930 669 HD11 LEU 91 1HD1 LEU 91 -6.325 2.379 4.501 670 HD12 LEU 91 2HD1 LEU 91 -5.129 1.119 4.803 671 HD13 LEU 91 3HD1 LEU 91 -6.331 1.506 6.034 672 HD21 LEU 91 1HD2 LEU 91 -6.990 1.682 2.678 673 HD22 LEU 91 2HD2 LEU 91 -8.465 0.719 2.770 674 HD23 LEU 91 3HD2 LEU 91 -6.947 -0.037 2.286 675 H THR 92 H THR 92 -7.956 -0.482 7.663 676 HA THR 92 HA THR 92 -10.344 -2.146 7.298 677 HB THR 92 HB THR 92 -9.639 -0.266 9.560 678 HG1 THR 92 1HG THR 92 -9.330 -3.031 9.142 679 HG21 THR 92 1HG2 THR 92 -11.557 -1.819 10.579 680 HG22 THR 92 2HG2 THR 92 -12.070 -1.831 8.891 681 HG23 THR 92 3HG2 THR 92 -11.910 -0.301 9.754 682 H VAL 93 H VAL 93 -12.019 -1.362 6.215 683 HA VAL 93 HA VAL 93 -12.311 1.564 5.998 684 HB VAL 93 HB VAL 93 -13.204 -0.508 3.989 685 HG11 VAL 93 1HG1 VAL 93 -14.117 2.087 4.406 686 HG12 VAL 93 2HG1 VAL 93 -12.995 2.216 3.050 687 HG13 VAL 93 3HG1 VAL 93 -14.357 1.098 2.966 688 HG21 VAL 93 1HG2 VAL 93 -11.052 1.498 3.479 689 HG22 VAL 93 2HG2 VAL 93 -10.666 0.004 4.333 690 HG23 VAL 93 3HG2 VAL 93 -11.341 -0.060 2.705 691 H THR 94 H THR 94 -13.915 2.226 7.263 692 HA THR 94 HA THR 94 -16.123 0.481 7.936 693 HB THR 94 HB THR 94 -15.817 3.383 8.707 694 HG1 THR 94 1HG THR 94 -13.961 2.043 9.293 695 HG21 THR 94 1HG2 THR 94 -17.739 3.041 9.779 696 HG22 THR 94 2HG2 THR 94 -16.958 1.786 10.741 697 HG23 THR 94 3HG2 THR 94 -17.771 1.364 9.234 698 H ALA 95 H ALA 95 -18.294 0.843 7.460 699 HA ALA 95 HA ALA 95 -18.747 2.353 5.005 700 HB1 ALA 95 1HB ALA 95 -19.828 0.433 4.590 701 HB2 ALA 95 2HB ALA 95 -19.986 0.035 6.302 702 HB3 ALA 95 3HB ALA 95 -21.125 1.150 5.547 703 H LEU 96 H LEU 96 -19.638 4.304 5.008 704 HA LEU 96 HA LEU 96 -20.178 5.917 7.074 705 HB2 LEU 96 1HB LEU 96 -21.676 5.727 4.472 706 HB3 LEU 96 2HB LEU 96 -21.914 7.041 5.622 707 HG LEU 96 HG LEU 96 -19.161 6.486 4.615 708 HD11 LEU 96 1HD1 LEU 96 -21.280 7.984 3.082 709 HD12 LEU 96 2HD1 LEU 96 -20.503 6.479 2.592 710 HD13 LEU 96 3HD1 LEU 96 -19.558 7.964 2.701 711 HD21 LEU 96 1HD2 LEU 96 -20.386 9.174 4.968 712 HD22 LEU 96 2HD2 LEU 96 -18.730 8.638 5.255 713 HD23 LEU 96 3HD2 LEU 96 -20.003 8.227 6.405 714 HA PRO 97 HA PRO 97 -23.639 4.472 9.362 715 HB2 PRO 97 1HB PRO 97 -24.634 6.821 10.291 716 HB3 PRO 97 2HB PRO 97 -23.137 6.104 10.900 717 HG2 PRO 97 1HG PRO 97 -23.508 8.294 8.893 718 HG3 PRO 97 2HG PRO 97 -22.345 8.184 10.227 719 HD2 PRO 97 1HD PRO 97 -21.674 7.642 7.660 720 HD3 PRO 97 2HD PRO 97 -20.922 6.815 9.039 721 H SER 98 H SER 98 -26.054 5.628 9.808 722 HA SER 98 HA SER 98 -27.273 6.393 7.294 723 HB2 SER 98 1HB SER 98 -27.989 3.788 8.659 724 HB3 SER 98 2HB SER 98 -28.923 4.527 7.358 725 HG SER 98 HG SER 98 -27.099 4.313 6.016 726 H GLY 99 H GLY 99 -29.623 6.850 7.561 727 HA2 GLY 99 1HA GLY 99 -31.447 7.624 8.765 728 HA3 GLY 99 2HA GLY 99 -30.643 7.121 10.245 729 HA PRO 100 HA PRO 100 -30.560 11.817 9.670 730 HB2 PRO 100 1HB PRO 100 -32.217 12.443 11.727 731 HB3 PRO 100 2HB PRO 100 -32.794 12.160 10.081 732 HG2 PRO 100 1HG PRO 100 -32.782 10.304 12.429 733 HG3 PRO 100 2HG PRO 100 -34.058 10.583 11.230 734 HD2 PRO 100 1HD PRO 100 -32.394 8.450 11.117 735 HD3 PRO 100 2HD PRO 100 -33.057 9.222 9.662 736 H SER 101 H SER 101 -28.462 11.925 10.400 737 HA SER 101 HA SER 101 -27.940 11.450 13.240 738 HB2 SER 101 1HB SER 101 -26.460 10.497 11.386 739 HB3 SER 101 2HB SER 101 -25.891 12.147 11.136 740 HG SER 101 HG SER 101 -24.870 10.508 12.787 741 H SER 102 H SER 102 -27.602 13.971 10.772 742 HA SER 102 HA SER 102 -26.875 15.923 12.815 743 HB2 SER 102 1HB SER 102 -26.964 16.027 9.800 744 HB3 SER 102 2HB SER 102 -26.691 17.463 10.786 745 HG SER 102 HG SER 102 -24.974 15.467 10.131 746 H GLY 103 H GLY 103 -29.271 15.677 10.178 747 HA2 GLY 103 1HA GLY 103 -31.335 16.738 11.901 748 HA3 GLY 103 2HA GLY 103 -30.834 17.837 10.624 Start of MODEL 3 1 H1 GLY 1 H GLY 1 34.071 -6.089 16.990 2 HA2 GLY 1 1HA GLY 1 31.391 -7.099 16.565 3 HA3 GLY 1 2HA GLY 1 31.600 -6.204 18.063 4 H SER 2 H SER 2 32.307 -5.905 14.584 5 HA SER 2 HA SER 2 31.706 -3.030 14.813 6 HB2 SER 2 1HB SER 2 33.067 -2.751 12.758 7 HB3 SER 2 2HB SER 2 33.997 -3.444 14.086 8 HG SER 2 HG SER 2 32.721 -5.180 12.303 9 H SER 3 H SER 3 30.876 -2.088 12.683 10 HA SER 3 HA SER 3 28.687 -3.806 11.750 11 HB2 SER 3 1HB SER 3 29.028 -0.838 12.005 12 HB3 SER 3 2HB SER 3 27.857 -1.485 10.857 13 HG SER 3 HG SER 3 27.558 -1.164 13.457 14 H GLY 4 H GLY 4 28.067 -3.723 9.492 15 HA2 GLY 4 1HA GLY 4 29.675 -2.541 7.493 16 HA3 GLY 4 2HA GLY 4 30.187 -4.204 7.740 17 H SER 5 H SER 5 29.460 -5.279 6.013 18 HA SER 5 HA SER 5 27.086 -4.654 4.614 19 HB2 SER 5 1HB SER 5 28.889 -7.073 4.608 20 HB3 SER 5 2HB SER 5 27.460 -6.966 3.582 21 HG SER 5 HG SER 5 29.834 -5.472 3.496 22 H SER 6 H SER 6 25.522 -4.549 6.327 23 HA SER 6 HA SER 6 24.831 -6.556 8.087 24 HB2 SER 6 1HB SER 6 23.202 -4.429 6.719 25 HB3 SER 6 2HB SER 6 22.445 -5.576 7.825 26 HG SER 6 HG SER 6 23.055 -3.839 9.042 27 H GLY 7 H GLY 7 23.632 -6.065 4.773 28 HA2 GLY 7 1HA GLY 7 23.579 -8.516 3.764 29 HA3 GLY 7 2HA GLY 7 22.225 -8.619 4.879 30 HA PRO 8 HA PRO 8 20.514 -7.217 0.841 31 HB2 PRO 8 1HB PRO 8 18.264 -8.725 1.025 32 HB3 PRO 8 2HB PRO 8 19.788 -9.348 0.381 33 HG2 PRO 8 1HG PRO 8 18.611 -9.676 3.114 34 HG3 PRO 8 2HG PRO 8 19.412 -10.881 2.089 35 HD2 PRO 8 1HD PRO 8 20.674 -9.642 4.140 36 HD3 PRO 8 2HD PRO 8 21.522 -10.153 2.667 37 H VAL 9 H VAL 9 19.165 -5.524 0.607 38 HA VAL 9 HA VAL 9 18.309 -3.861 2.500 39 HB VAL 9 HB VAL 9 16.564 -4.540 0.130 40 HG11 VAL 9 1HG1 VAL 9 16.236 -1.949 0.360 41 HG12 VAL 9 2HG1 VAL 9 15.302 -3.065 1.358 42 HG13 VAL 9 3HG1 VAL 9 16.713 -2.248 2.031 43 HG21 VAL 9 1HG2 VAL 9 19.234 -3.447 0.259 44 HG22 VAL 9 2HG2 VAL 9 18.283 -3.927 -1.146 45 HG23 VAL 9 3HG2 VAL 9 18.109 -2.305 -0.475 46 H ARG 10 H ARG 10 17.256 -4.177 4.340 47 HA ARG 10 HA ARG 10 15.158 -6.217 4.469 48 HB2 ARG 10 1HB ARG 10 16.774 -4.790 6.572 49 HB3 ARG 10 2HB ARG 10 15.345 -5.729 6.979 50 HG2 ARG 10 1HG ARG 10 17.581 -6.932 5.394 51 HG3 ARG 10 2HG ARG 10 17.644 -6.850 7.156 52 HD2 ARG 10 1HD ARG 10 15.459 -8.147 5.529 53 HD3 ARG 10 2HD ARG 10 16.759 -8.998 6.363 54 HE ARG 10 HE ARG 10 15.207 -7.310 8.090 55 HH11 ARG 10 2HH1 ARG 10 15.414 -10.450 6.602 56 HH12 ARG 10 1HH1 ARG 10 14.441 -11.229 7.806 57 HH21 ARG 10 2HH2 ARG 10 13.925 -8.323 9.681 58 HH22 ARG 10 1HH2 ARG 10 13.594 -10.017 9.556 59 H PHE 11 H PHE 11 13.336 -5.614 6.078 60 HA PHE 11 HA PHE 11 12.194 -3.100 5.127 61 HB2 PHE 11 1HB PHE 11 11.095 -5.654 6.186 62 HB3 PHE 11 2HB PHE 11 10.162 -4.190 6.482 63 HD1 PHE 11 2HD PHE 11 9.566 -2.743 4.466 64 HD2 PHE 11 1HD PHE 11 10.960 -6.751 4.144 65 HE1 PHE 11 2HE PHE 11 8.622 -2.885 2.198 66 HE2 PHE 11 1HE PHE 11 10.019 -6.900 1.876 67 HZ PHE 11 HZ PHE 11 8.848 -4.966 0.900 68 H GLN 12 H GLN 12 13.195 -1.561 6.400 69 HA GLN 12 HA GLN 12 13.450 -1.773 9.220 70 HB2 GLN 12 1HB GLN 12 14.900 -0.319 7.879 71 HB3 GLN 12 2HB GLN 12 13.515 0.676 7.449 72 HG2 GLN 12 1HG GLN 12 14.358 1.927 9.139 73 HG3 GLN 12 2HG GLN 12 13.291 0.877 10.070 74 HE21 GLN 12 1HE2 GLN 12 16.079 2.291 10.346 75 HE22 GLN 12 2HE2 GLN 12 17.014 1.091 11.164 76 H GLU 13 H GLU 13 11.263 0.168 7.180 77 HA GLU 13 HA GLU 13 9.345 0.168 9.413 78 HB2 GLU 13 1HB GLU 13 10.356 2.441 7.773 79 HB3 GLU 13 2HB GLU 13 8.664 2.463 8.252 80 HG2 GLU 13 1HG GLU 13 10.918 2.104 10.205 81 HG3 GLU 13 2HG GLU 13 10.256 3.678 9.767 82 H ALA 14 H ALA 14 8.801 -1.806 7.985 83 HA ALA 14 HA ALA 14 7.647 -1.563 5.464 84 HB1 ALA 14 1HB ALA 14 6.282 -3.541 7.068 85 HB2 ALA 14 2HB ALA 14 7.355 -3.757 5.685 86 HB3 ALA 14 3HB ALA 14 8.028 -3.607 7.308 87 H LEU 15 H LEU 15 5.131 -2.384 5.358 88 HA LEU 15 HA LEU 15 3.624 -0.065 5.903 89 HB2 LEU 15 1HB LEU 15 2.605 -2.834 5.288 90 HB3 LEU 15 2HB LEU 15 1.713 -1.324 5.109 91 HG LEU 15 HG LEU 15 4.196 -1.971 3.531 92 HD11 LEU 15 1HD1 LEU 15 1.337 -2.282 2.637 93 HD12 LEU 15 2HD1 LEU 15 2.376 -3.620 3.126 94 HD13 LEU 15 3HD1 LEU 15 2.795 -2.648 1.715 95 HD21 LEU 15 1HD2 LEU 15 3.726 0.379 3.633 96 HD22 LEU 15 2HD2 LEU 15 2.026 0.103 3.250 97 HD23 LEU 15 3HD2 LEU 15 3.267 -0.215 2.037 98 H LYS 16 H LYS 16 1.463 -0.193 7.090 99 HA LYS 16 HA LYS 16 1.507 -1.879 9.461 100 HB2 LYS 16 1HB LYS 16 1.597 1.138 9.575 101 HB3 LYS 16 2HB LYS 16 1.147 0.125 10.939 102 HG2 LYS 16 1HG LYS 16 3.771 -0.198 9.521 103 HG3 LYS 16 2HG LYS 16 3.547 0.958 10.837 104 HD2 LYS 16 1HD LYS 16 2.672 -1.858 11.254 105 HD3 LYS 16 2HD LYS 16 4.400 -1.499 11.293 106 HE2 LYS 16 1HE LYS 16 3.766 -1.267 13.514 107 HE3 LYS 16 2HE LYS 16 3.738 0.392 12.918 108 HZ1 LYS 16 1HZ LYS 16 1.229 -0.917 12.553 109 HZ2 LYS 16 2HZ LYS 16 1.574 0.546 13.328 110 HZ3 LYS 16 3HZ LYS 16 1.693 -0.911 14.180 111 H ASP 17 H ASP 17 -0.499 -1.286 10.870 112 HA ASP 17 HA ASP 17 -2.788 -1.662 9.250 113 HB2 ASP 17 1HB ASP 17 -4.050 -1.616 11.322 114 HB3 ASP 17 2HB ASP 17 -2.568 -2.536 11.562 115 H LEU 18 H LEU 18 -4.309 -0.279 8.520 116 HA LEU 18 HA LEU 18 -4.111 2.542 9.328 117 HB2 LEU 18 1HB LEU 18 -4.099 1.353 6.596 118 HB3 LEU 18 2HB LEU 18 -4.875 2.917 6.841 119 HG LEU 18 HG LEU 18 -2.045 2.450 7.715 120 HD11 LEU 18 1HD1 LEU 18 -1.465 3.542 5.476 121 HD12 LEU 18 2HD1 LEU 18 -3.061 3.008 4.949 122 HD13 LEU 18 3HD1 LEU 18 -1.863 1.824 5.473 123 HD21 LEU 18 1HD2 LEU 18 -1.915 4.719 7.889 124 HD22 LEU 18 2HD2 LEU 18 -3.632 4.503 8.231 125 HD23 LEU 18 3HD2 LEU 18 -3.109 4.998 6.621 126 H GLU 19 H GLU 19 -6.055 3.758 9.171 127 HA GLU 19 HA GLU 19 -8.507 2.205 8.744 128 HB2 GLU 19 1HB GLU 19 -8.111 2.181 11.147 129 HB3 GLU 19 2HB GLU 19 -7.927 3.929 11.158 130 HG2 GLU 19 1HG GLU 19 -10.460 2.602 10.258 131 HG3 GLU 19 2HG GLU 19 -10.144 2.979 11.950 132 H VAL 20 H VAL 20 -9.971 3.249 7.555 133 HA VAL 20 HA VAL 20 -10.111 6.150 7.567 134 HB VAL 20 HB VAL 20 -9.537 4.628 5.020 135 HG11 VAL 20 1HG1 VAL 20 -10.268 7.504 5.521 136 HG12 VAL 20 2HG1 VAL 20 -9.507 6.949 4.029 137 HG13 VAL 20 3HG1 VAL 20 -11.094 6.334 4.492 138 HG21 VAL 20 1HG2 VAL 20 -7.517 6.055 4.936 139 HG22 VAL 20 2HG2 VAL 20 -7.912 6.665 6.542 140 HG23 VAL 20 3HG2 VAL 20 -7.527 4.959 6.317 141 H LEU 21 H LEU 21 -11.960 6.943 6.245 142 HA LEU 21 HA LEU 21 -14.212 5.120 6.563 143 HB2 LEU 21 1HB LEU 21 -14.177 7.511 7.416 144 HB3 LEU 21 2HB LEU 21 -14.314 8.008 5.731 145 HG LEU 21 HG LEU 21 -16.458 6.707 5.621 146 HD11 LEU 21 1HD1 LEU 21 -16.704 5.230 7.293 147 HD12 LEU 21 2HD1 LEU 21 -17.349 6.613 8.177 148 HD13 LEU 21 3HD1 LEU 21 -15.664 6.139 8.390 149 HD21 LEU 21 1HD2 LEU 21 -17.164 8.568 7.686 150 HD22 LEU 21 2HD2 LEU 21 -17.427 8.677 5.946 151 HD23 LEU 21 3HD2 LEU 21 -15.917 9.260 6.649 152 H GLU 22 H GLU 22 -15.765 4.770 4.904 153 HA GLU 22 HA GLU 22 -14.634 4.275 2.358 154 HB2 GLU 22 1HB GLU 22 -16.718 3.365 1.758 155 HB3 GLU 22 2HB GLU 22 -16.575 3.053 3.482 156 HG2 GLU 22 1HG GLU 22 -18.131 4.710 4.029 157 HG3 GLU 22 2HG GLU 22 -18.021 5.460 2.438 158 H GLY 23 H GLY 23 -15.221 5.176 0.316 159 HA2 GLY 23 1HA GLY 23 -15.964 6.840 -1.128 160 HA3 GLY 23 2HA GLY 23 -16.691 7.666 0.241 161 H GLY 24 H GLY 24 -13.351 6.677 0.311 162 HA2 GLY 24 1HA GLY 24 -12.490 9.415 -0.322 163 HA3 GLY 24 2HA GLY 24 -12.049 8.727 1.234 164 H ALA 25 H ALA 25 -9.871 8.608 0.992 165 HA ALA 25 HA ALA 25 -8.902 6.638 -0.944 166 HB1 ALA 25 1HB ALA 25 -6.884 8.215 -1.288 167 HB2 ALA 25 2HB ALA 25 -8.377 8.532 -2.173 168 HB3 ALA 25 3HB ALA 25 -7.985 9.479 -0.738 169 H ALA 26 H ALA 26 -7.088 5.496 -0.290 170 HA ALA 26 HA ALA 26 -6.252 5.964 2.498 171 HB1 ALA 26 1HB ALA 26 -6.756 3.445 0.970 172 HB2 ALA 26 2HB ALA 26 -5.632 3.446 2.329 173 HB3 ALA 26 3HB ALA 26 -7.314 3.914 2.577 174 H THR 27 H THR 27 -4.246 6.683 2.695 175 HA THR 27 HA THR 27 -2.295 6.047 0.587 176 HB THR 27 HB THR 27 -2.174 8.284 2.618 177 HG1 THR 27 1HG THR 27 -2.751 8.440 -0.168 178 HG21 THR 27 1HG2 THR 27 0.023 8.042 2.029 179 HG22 THR 27 2HG2 THR 27 -0.514 9.068 0.699 180 HG23 THR 27 3HG2 THR 27 -0.362 7.327 0.464 181 H LEU 28 H LEU 28 -0.702 4.686 1.051 182 HA LEU 28 HA LEU 28 -0.151 4.080 3.873 183 HB2 LEU 28 1HB LEU 28 0.451 2.485 1.387 184 HB3 LEU 28 2HB LEU 28 0.846 1.993 3.032 185 HG LEU 28 HG LEU 28 -1.776 2.291 3.343 186 HD11 LEU 28 1HD1 LEU 28 -2.567 1.107 1.049 187 HD12 LEU 28 2HD1 LEU 28 -1.344 2.219 0.435 188 HD13 LEU 28 3HD1 LEU 28 -2.706 2.836 1.370 189 HD21 LEU 28 1HD2 LEU 28 -0.616 -0.142 1.997 190 HD22 LEU 28 2HD2 LEU 28 -1.989 -0.073 3.103 191 HD23 LEU 28 3HD2 LEU 28 -0.360 0.259 3.696 192 H ARG 29 H ARG 29 2.078 3.667 4.494 193 HA ARG 29 HA ARG 29 4.115 4.859 2.771 194 HB2 ARG 29 1HB ARG 29 3.186 5.934 5.384 195 HB3 ARG 29 2HB ARG 29 4.917 5.957 5.071 196 HG2 ARG 29 1HG ARG 29 2.838 7.161 3.257 197 HG3 ARG 29 2HG ARG 29 3.769 8.057 4.459 198 HD2 ARG 29 1HD ARG 29 5.847 7.259 3.304 199 HD3 ARG 29 2HD ARG 29 4.812 6.610 2.032 200 HE ARG 29 HE ARG 29 4.592 8.725 1.208 201 HH11 ARG 29 2HH1 ARG 29 5.640 8.924 4.521 202 HH12 ARG 29 1HH1 ARG 29 5.852 10.643 4.488 203 HH21 ARG 29 2HH2 ARG 29 4.867 10.989 1.150 204 HH22 ARG 29 1HH2 ARG 29 5.411 11.817 2.570 205 H CYS 30 H CYS 30 6.246 4.214 3.254 206 HA CYS 30 HA CYS 30 6.869 2.533 5.467 207 HB2 CYS 30 1HB CYS 30 7.290 0.460 4.227 208 HB3 CYS 30 2HB CYS 30 5.592 0.910 4.144 209 HG CYS 30 HG CYS 30 5.457 1.404 1.559 210 H VAL 31 H VAL 31 8.964 2.781 5.882 211 HA VAL 31 HA VAL 31 10.704 3.736 3.707 212 HB VAL 31 HB VAL 31 11.140 4.047 6.679 213 HG11 VAL 31 1HG1 VAL 31 12.935 5.483 6.134 214 HG12 VAL 31 2HG1 VAL 31 13.137 4.053 5.120 215 HG13 VAL 31 3HG1 VAL 31 12.475 5.536 4.433 216 HG21 VAL 31 1HG2 VAL 31 9.131 5.260 5.746 217 HG22 VAL 31 2HG2 VAL 31 10.351 6.276 6.515 218 HG23 VAL 31 3HG2 VAL 31 10.258 6.187 4.756 219 H LEU 32 H LEU 32 12.457 2.597 3.131 220 HA LEU 32 HA LEU 32 13.004 0.118 4.603 221 HB2 LEU 32 1HB LEU 32 13.879 0.894 1.827 222 HB3 LEU 32 2HB LEU 32 14.051 -0.689 2.582 223 HG LEU 32 HG LEU 32 11.420 -0.540 2.706 224 HD11 LEU 32 1HD1 LEU 32 11.948 1.835 1.412 225 HD12 LEU 32 2HD1 LEU 32 10.398 0.996 1.459 226 HD13 LEU 32 3HD1 LEU 32 11.496 0.744 0.102 227 HD21 LEU 32 1HD2 LEU 32 11.862 -2.317 1.442 228 HD22 LEU 32 2HD2 LEU 32 13.326 -1.579 0.792 229 HD23 LEU 32 3HD2 LEU 32 11.763 -1.244 0.046 230 H SER 33 H SER 33 15.300 -0.594 4.666 231 HA SER 33 HA SER 33 16.904 1.278 5.975 232 HB2 SER 33 1HB SER 33 18.646 -0.396 5.936 233 HB3 SER 33 2HB SER 33 17.101 -1.213 6.173 234 HG SER 33 HG SER 33 17.788 -2.365 4.542 235 H SER 34 H SER 34 16.490 0.642 2.617 236 HA SER 34 HA SER 34 18.121 2.883 1.902 237 HB2 SER 34 1HB SER 34 19.107 0.091 1.416 238 HB3 SER 34 2HB SER 34 19.492 1.369 0.263 239 HG SER 34 HG SER 34 21.116 1.281 1.795 240 H VAL 35 H VAL 35 17.776 3.577 -0.227 241 HA VAL 35 HA VAL 35 15.259 2.953 -1.324 242 HB VAL 35 HB VAL 35 16.073 5.119 -1.766 243 HG11 VAL 35 1HG1 VAL 35 18.245 5.089 -3.387 244 HG12 VAL 35 2HG1 VAL 35 18.312 5.299 -1.636 245 HG13 VAL 35 3HG1 VAL 35 18.583 3.707 -2.346 246 HG21 VAL 35 1HG2 VAL 35 15.535 5.303 -3.964 247 HG22 VAL 35 2HG2 VAL 35 16.643 4.023 -4.458 248 HG23 VAL 35 3HG2 VAL 35 15.086 3.613 -3.739 249 H ALA 36 H ALA 36 14.618 1.559 -2.863 250 HA ALA 36 HA ALA 36 16.593 0.251 -4.564 251 HB1 ALA 36 1HB ALA 36 15.784 -1.002 -2.256 252 HB2 ALA 36 2HB ALA 36 14.716 -1.693 -3.478 253 HB3 ALA 36 3HB ALA 36 16.465 -1.794 -3.677 254 H ALA 37 H ALA 37 15.711 -0.712 -6.438 255 HA ALA 37 HA ALA 37 12.950 -0.890 -6.983 256 HB1 ALA 37 1HB ALA 37 12.421 1.218 -7.442 257 HB2 ALA 37 2HB ALA 37 14.101 1.733 -7.292 258 HB3 ALA 37 3HB ALA 37 13.501 1.122 -8.834 259 HA PRO 38 HA PRO 38 11.903 -0.090 -9.215 260 HB2 PRO 38 1HB PRO 38 10.474 -1.900 -10.646 261 HB3 PRO 38 2HB PRO 38 11.477 -0.656 -11.401 262 HG2 PRO 38 1HG PRO 38 12.092 -3.544 -10.910 263 HG3 PRO 38 2HG PRO 38 12.412 -2.561 -12.350 264 HD2 PRO 38 1HD PRO 38 14.324 -3.129 -10.519 265 HD3 PRO 38 2HD PRO 38 14.300 -1.607 -11.434 266 H VAL 39 H VAL 39 9.888 -0.565 -8.190 267 HA VAL 39 HA VAL 39 10.035 -2.883 -6.379 268 HB VAL 39 HB VAL 39 8.254 -0.527 -5.876 269 HG11 VAL 39 1HG1 VAL 39 9.736 -1.984 -3.761 270 HG12 VAL 39 2HG1 VAL 39 8.096 -1.333 -3.755 271 HG13 VAL 39 3HG1 VAL 39 8.441 -2.848 -4.590 272 HG21 VAL 39 1HG2 VAL 39 10.429 0.456 -6.293 273 HG22 VAL 39 2HG2 VAL 39 10.064 0.517 -4.569 274 HG23 VAL 39 3HG2 VAL 39 11.188 -0.692 -5.190 275 H LYS 40 H LYS 40 8.262 -4.204 -6.091 276 HA LYS 40 HA LYS 40 6.166 -3.942 -8.135 277 HB2 LYS 40 1HB LYS 40 7.727 -6.033 -7.872 278 HB3 LYS 40 2HB LYS 40 6.631 -6.447 -6.560 279 HG2 LYS 40 1HG LYS 40 5.565 -5.786 -9.274 280 HG3 LYS 40 2HG LYS 40 6.194 -7.396 -8.917 281 HD2 LYS 40 1HD LYS 40 4.250 -6.201 -7.011 282 HD3 LYS 40 2HD LYS 40 3.640 -6.780 -8.564 283 HE2 LYS 40 1HE LYS 40 5.336 -8.436 -6.704 284 HE3 LYS 40 2HE LYS 40 3.574 -8.458 -6.700 285 HZ1 LYS 40 1HZ LYS 40 4.244 -8.836 -9.316 286 HZ2 LYS 40 2HZ LYS 40 3.751 -10.037 -8.233 287 HZ3 LYS 40 3HZ LYS 40 5.399 -9.748 -8.481 288 H TRP 41 H TRP 41 4.054 -3.813 -7.592 289 HA TRP 41 HA TRP 41 3.396 -3.928 -4.721 290 HB2 TRP 41 1HB TRP 41 2.671 -1.942 -6.825 291 HB3 TRP 41 2HB TRP 41 1.484 -2.292 -5.572 292 HD1 TRP 41 HD TRP 41 4.843 -0.592 -6.124 293 HE1 TRP 41 1HE TRP 41 5.451 0.760 -4.020 294 HE3 TRP 41 3HE TRP 41 1.150 -2.249 -3.001 295 HZ2 TRP 41 2HZ TRP 41 4.492 1.080 -1.384 296 HZ3 TRP 41 3HZ TRP 41 1.066 -1.371 -0.704 297 HH2 TRP 41 HH TRP 41 2.703 0.259 0.086 298 H CYS 42 H CYS 42 2.259 -5.715 -4.352 299 HA CYS 42 HA CYS 42 0.040 -6.348 -6.173 300 HB2 CYS 42 1HB CYS 42 1.532 -8.035 -6.765 301 HB3 CYS 42 2HB CYS 42 2.184 -8.168 -5.136 302 HG CYS 42 HG CYS 42 -0.742 -9.055 -4.552 303 H TYR 43 H TYR 43 -1.856 -6.892 -5.218 304 HA TYR 43 HA TYR 43 -1.865 -7.082 -2.277 305 HB2 TYR 43 1HB TYR 43 -2.910 -5.054 -2.545 306 HB3 TYR 43 2HB TYR 43 -3.539 -5.465 -4.137 307 HD1 TYR 43 2HD TYR 43 -3.939 -6.602 -0.593 308 HD2 TYR 43 1HD TYR 43 -5.818 -5.733 -4.310 309 HE1 TYR 43 2HE TYR 43 -6.131 -7.096 0.406 310 HE2 TYR 43 1HE TYR 43 -8.016 -6.224 -3.321 311 HH TYR 43 HH TYR 43 -8.755 -7.807 -1.173 312 H GLY 44 H GLY 44 -1.997 -9.284 -2.092 313 HA2 GLY 44 1HA GLY 44 -3.185 -11.252 -1.848 314 HA3 GLY 44 2HA GLY 44 -4.573 -10.458 -2.577 315 H ASN 45 H ASN 45 -5.154 -11.088 -4.551 316 HA ASN 45 HA ASN 45 -3.442 -12.969 -5.963 317 HB2 ASN 45 1HB ASN 45 -6.203 -12.085 -6.794 318 HB3 ASN 45 2HB ASN 45 -5.364 -13.573 -7.220 319 HD21 ASN 45 1HD2 ASN 45 -7.117 -11.873 -4.751 320 HD22 ASN 45 2HD2 ASN 45 -7.411 -13.239 -3.735 321 H ASN 46 H ASN 46 -5.486 -10.257 -7.056 322 HA ASN 46 HA ASN 46 -4.153 -9.870 -9.483 323 HB2 ASN 46 1HB ASN 46 -5.904 -8.091 -7.801 324 HB3 ASN 46 2HB ASN 46 -5.192 -7.510 -9.304 325 HD21 ASN 46 1HD2 ASN 46 -7.763 -9.136 -7.907 326 HD22 ASN 46 2HD2 ASN 46 -8.484 -9.765 -9.345 327 H VAL 47 H VAL 47 -2.847 -8.011 -10.142 328 HA VAL 47 HA VAL 47 -0.946 -7.244 -8.026 329 HB VAL 47 HB VAL 47 -0.495 -7.504 -11.002 330 HG11 VAL 47 1HG1 VAL 47 1.109 -5.980 -10.692 331 HG12 VAL 47 2HG1 VAL 47 0.976 -6.072 -8.935 332 HG13 VAL 47 3HG1 VAL 47 1.967 -7.242 -9.808 333 HG21 VAL 47 1HG2 VAL 47 1.071 -9.031 -9.005 334 HG22 VAL 47 2HG2 VAL 47 -0.602 -9.527 -9.264 335 HG23 VAL 47 3HG2 VAL 47 0.529 -9.496 -10.617 336 H LEU 48 H LEU 48 -0.858 -5.173 -7.473 337 HA LEU 48 HA LEU 48 -2.431 -3.214 -8.859 338 HB2 LEU 48 1HB LEU 48 -0.446 -2.636 -6.684 339 HB3 LEU 48 2HB LEU 48 -1.915 -1.752 -7.094 340 HG LEU 48 HG LEU 48 -2.022 -4.553 -6.020 341 HD11 LEU 48 1HD1 LEU 48 -0.822 -2.559 -4.616 342 HD12 LEU 48 2HD1 LEU 48 -1.685 -3.919 -3.898 343 HD13 LEU 48 3HD1 LEU 48 -2.506 -2.374 -4.122 344 HD21 LEU 48 1HD2 LEU 48 -3.951 -3.012 -7.100 345 HD22 LEU 48 2HD2 LEU 48 -4.065 -2.518 -5.411 346 HD23 LEU 48 3HD2 LEU 48 -4.245 -4.218 -5.847 347 H ARG 49 H ARG 49 -1.794 -1.746 -10.315 348 HA ARG 49 HA ARG 49 1.087 -1.313 -10.708 349 HB2 ARG 49 1HB ARG 49 -0.932 -1.657 -12.932 350 HB3 ARG 49 2HB ARG 49 0.790 -1.356 -13.123 351 HG2 ARG 49 1HG ARG 49 1.269 -3.518 -12.058 352 HG3 ARG 49 2HG ARG 49 -0.465 -3.819 -11.932 353 HD2 ARG 49 1HD ARG 49 0.551 -4.940 -13.876 354 HD3 ARG 49 2HD ARG 49 -0.686 -3.772 -14.338 355 HE ARG 49 HE ARG 49 2.021 -2.759 -14.350 356 HH11 ARG 49 2HH1 ARG 49 -0.530 -4.261 -16.182 357 HH12 ARG 49 1HH1 ARG 49 0.094 -3.752 -17.716 358 HH21 ARG 49 2HH2 ARG 49 2.853 -2.082 -16.363 359 HH22 ARG 49 1HH2 ARG 49 2.019 -2.513 -17.818 360 HA PRO 50 HA PRO 50 0.131 2.973 -10.702 361 HB2 PRO 50 1HB PRO 50 2.109 3.929 -12.297 362 HB3 PRO 50 2HB PRO 50 2.397 3.346 -10.654 363 HG2 PRO 50 1HG PRO 50 2.817 1.940 -13.263 364 HG3 PRO 50 2HG PRO 50 3.863 1.979 -11.832 365 HD2 PRO 50 1HD PRO 50 2.236 -0.112 -12.390 366 HD3 PRO 50 2HD PRO 50 2.626 0.377 -10.729 367 H GLY 51 H GLY 51 -1.079 4.426 -11.827 368 HA2 GLY 51 1HA GLY 51 -1.102 4.691 -14.639 369 HA3 GLY 51 2HA GLY 51 -2.430 3.652 -14.146 370 H ASP 52 H ASP 52 -4.291 4.607 -13.662 371 HA ASP 52 HA ASP 52 -4.253 7.503 -13.127 372 HB2 ASP 52 1HB ASP 52 -6.363 5.762 -14.409 373 HB3 ASP 52 2HB ASP 52 -6.640 7.437 -13.939 374 H LYS 53 H LYS 53 -5.653 4.418 -12.157 375 HA LYS 53 HA LYS 53 -7.244 5.539 -10.053 376 HB2 LYS 53 1HB LYS 53 -6.550 2.784 -10.974 377 HB3 LYS 53 2HB LYS 53 -7.204 2.988 -9.354 378 HG2 LYS 53 1HG LYS 53 -8.577 4.150 -11.751 379 HG3 LYS 53 2HG LYS 53 -8.831 2.474 -11.256 380 HD2 LYS 53 1HD LYS 53 -9.201 4.820 -9.403 381 HD3 LYS 53 2HD LYS 53 -10.507 4.138 -10.374 382 HE2 LYS 53 1HE LYS 53 -9.723 1.889 -9.276 383 HE3 LYS 53 2HE LYS 53 -9.043 2.963 -8.055 384 HZ1 LYS 53 1HZ LYS 53 -11.875 2.612 -8.819 385 HZ2 LYS 53 2HZ LYS 53 -11.353 3.993 -7.994 386 HZ3 LYS 53 3HZ LYS 53 -11.170 2.467 -7.288 387 H TYR 54 H TYR 54 -4.291 3.542 -10.095 388 HA TYR 54 HA TYR 54 -3.808 4.228 -7.296 389 HB2 TYR 54 1HB TYR 54 -2.144 2.392 -9.016 390 HB3 TYR 54 2HB TYR 54 -2.223 2.454 -7.258 391 HD1 TYR 54 2HD TYR 54 -4.071 1.473 -10.304 392 HD2 TYR 54 1HD TYR 54 -3.882 1.245 -6.059 393 HE1 TYR 54 2HE TYR 54 -5.800 -0.276 -10.327 394 HE2 TYR 54 1HE TYR 54 -5.609 -0.506 -6.071 395 HH TYR 54 HH TYR 54 -6.422 -2.270 -8.618 396 H SER 55 H SER 55 -1.685 4.948 -6.612 397 HA SER 55 HA SER 55 -0.106 6.303 -8.677 398 HB2 SER 55 1HB SER 55 -1.839 7.839 -7.501 399 HB3 SER 55 2HB SER 55 -0.757 7.736 -6.113 400 HG SER 55 HG SER 55 -0.040 9.463 -7.229 401 H LEU 56 H LEU 56 1.856 5.457 -8.490 402 HA LEU 56 HA LEU 56 2.882 4.825 -5.807 403 HB2 LEU 56 1HB LEU 56 3.954 3.866 -8.452 404 HB3 LEU 56 2HB LEU 56 4.382 3.279 -6.846 405 HG LEU 56 HG LEU 56 1.835 2.817 -8.378 406 HD11 LEU 56 1HD1 LEU 56 3.919 0.990 -7.196 407 HD12 LEU 56 2HD1 LEU 56 3.632 1.302 -8.908 408 HD13 LEU 56 3HD1 LEU 56 2.417 0.456 -7.950 409 HD21 LEU 56 1HD2 LEU 56 2.264 2.927 -5.491 410 HD22 LEU 56 2HD2 LEU 56 1.583 1.399 -6.050 411 HD23 LEU 56 3HD2 LEU 56 0.763 2.917 -6.417 412 H ARG 57 H ARG 57 4.194 6.304 -4.985 413 HA ARG 57 HA ARG 57 6.027 7.723 -6.806 414 HB2 ARG 57 1HB ARG 57 4.330 9.258 -5.984 415 HB3 ARG 57 2HB ARG 57 4.661 8.778 -4.325 416 HG2 ARG 57 1HG ARG 57 5.756 10.816 -4.564 417 HG3 ARG 57 2HG ARG 57 7.038 9.617 -4.748 418 HD2 ARG 57 1HD ARG 57 7.180 9.944 -7.049 419 HD3 ARG 57 2HD ARG 57 5.580 10.679 -7.138 420 HE ARG 57 HE ARG 57 7.488 12.183 -5.590 421 HH11 ARG 57 2HH1 ARG 57 6.166 11.601 -8.758 422 HH12 ARG 57 1HH1 ARG 57 6.623 13.154 -9.376 423 HH21 ARG 57 2HH2 ARG 57 8.094 14.230 -6.392 424 HH22 ARG 57 1HH2 ARG 57 7.721 14.648 -8.030 425 H GLN 58 H GLN 58 8.021 6.993 -6.497 426 HA GLN 58 HA GLN 58 8.816 5.959 -3.892 427 HB2 GLN 58 1HB GLN 58 9.322 4.721 -6.011 428 HB3 GLN 58 2HB GLN 58 10.409 6.029 -6.457 429 HG2 GLN 58 1HG GLN 58 11.684 5.582 -4.361 430 HG3 GLN 58 2HG GLN 58 10.668 4.163 -4.114 431 HE21 GLN 58 1HE2 GLN 58 12.792 3.094 -4.160 432 HE22 GLN 58 2HE2 GLN 58 13.435 2.616 -5.690 433 H GLU 59 H GLU 59 9.985 7.072 -2.473 434 HA GLU 59 HA GLU 59 11.494 9.414 -3.426 435 HB2 GLU 59 1HB GLU 59 9.547 9.181 -1.175 436 HB3 GLU 59 2HB GLU 59 10.922 10.259 -0.984 437 HG2 GLU 59 1HG GLU 59 8.951 10.381 -3.254 438 HG3 GLU 59 2HG GLU 59 8.890 11.388 -1.809 439 H GLY 60 H GLY 60 13.358 8.042 -3.469 440 HA2 GLY 60 1HA GLY 60 15.105 6.819 -2.532 441 HA3 GLY 60 2HA GLY 60 15.192 8.271 -1.546 442 H ALA 61 H ALA 61 14.114 4.955 -1.694 443 HA ALA 61 HA ALA 61 13.674 3.424 -0.068 444 HB1 ALA 61 1HB ALA 61 15.658 5.023 0.985 445 HB2 ALA 61 2HB ALA 61 14.429 5.003 2.251 446 HB3 ALA 61 3HB ALA 61 15.097 3.487 1.646 447 H MET 62 H MET 62 11.522 4.836 -0.888 448 HA MET 62 HA MET 62 9.787 4.660 1.382 449 HB2 MET 62 1HB MET 62 10.677 6.922 1.729 450 HB3 MET 62 2HB MET 62 10.188 7.370 0.101 451 HG2 MET 62 1HG MET 62 8.206 6.395 2.123 452 HG3 MET 62 2HG MET 62 8.698 8.084 2.042 453 HE1 MET 62 1HE MET 62 6.510 9.649 0.432 454 HE2 MET 62 2HE MET 62 8.264 9.621 0.612 455 HE3 MET 62 3HE MET 62 7.540 9.533 -0.995 456 H LEU 63 H LEU 63 7.737 4.194 0.768 457 HA LEU 63 HA LEU 63 7.042 4.570 -2.067 458 HB2 LEU 63 1HB LEU 63 6.331 2.162 -0.402 459 HB3 LEU 63 2HB LEU 63 5.975 2.411 -2.110 460 HG LEU 63 HG LEU 63 7.771 0.846 -1.932 461 HD11 LEU 63 1HD1 LEU 63 7.967 3.292 -3.300 462 HD12 LEU 63 2HD1 LEU 63 8.758 1.765 -3.690 463 HD13 LEU 63 3HD1 LEU 63 9.574 2.943 -2.663 464 HD21 LEU 63 1HD2 LEU 63 8.425 2.080 0.389 465 HD22 LEU 63 2HD2 LEU 63 9.693 2.683 -0.679 466 HD23 LEU 63 3HD2 LEU 63 9.472 0.946 -0.465 467 H GLU 64 H GLU 64 4.835 4.884 -2.530 468 HA GLU 64 HA GLU 64 3.003 5.180 -0.277 469 HB2 GLU 64 1HB GLU 64 4.178 7.384 -0.683 470 HB3 GLU 64 2HB GLU 64 3.398 7.423 -2.258 471 HG2 GLU 64 1HG GLU 64 1.219 7.455 -1.222 472 HG3 GLU 64 2HG GLU 64 1.947 7.294 0.376 473 H LEU 65 H LEU 65 1.283 4.028 -0.825 474 HA LEU 65 HA LEU 65 0.444 3.992 -3.647 475 HB2 LEU 65 1HB LEU 65 0.942 1.793 -3.081 476 HB3 LEU 65 2HB LEU 65 0.281 1.962 -1.456 477 HG LEU 65 HG LEU 65 -2.001 2.162 -2.626 478 HD11 LEU 65 1HD1 LEU 65 -0.231 1.282 -4.864 479 HD12 LEU 65 2HD1 LEU 65 -1.563 2.438 -4.871 480 HD13 LEU 65 3HD1 LEU 65 -1.897 0.709 -4.781 481 HD21 LEU 65 1HD2 LEU 65 -1.048 -0.571 -3.096 482 HD22 LEU 65 2HD2 LEU 65 -2.336 0.021 -2.046 483 HD23 LEU 65 3HD2 LEU 65 -0.658 0.080 -1.503 484 H VAL 66 H VAL 66 -1.079 5.515 -3.885 485 HA VAL 66 HA VAL 66 -3.090 5.901 -1.801 486 HB VAL 66 HB VAL 66 -2.701 7.455 -4.363 487 HG11 VAL 66 1HG1 VAL 66 -3.982 8.779 -2.108 488 HG12 VAL 66 2HG1 VAL 66 -4.477 8.688 -3.800 489 HG13 VAL 66 3HG1 VAL 66 -4.885 7.380 -2.689 490 HG21 VAL 66 1HG2 VAL 66 -0.858 8.234 -3.362 491 HG22 VAL 66 2HG2 VAL 66 -1.963 9.098 -2.293 492 HG23 VAL 66 3HG2 VAL 66 -1.301 7.538 -1.803 493 H VAL 67 H VAL 67 -4.989 4.916 -1.898 494 HA VAL 67 HA VAL 67 -5.954 3.967 -4.517 495 HB VAL 67 HB VAL 67 -6.763 2.845 -1.838 496 HG11 VAL 67 1HG1 VAL 67 -8.169 1.571 -2.994 497 HG12 VAL 67 2HG1 VAL 67 -7.779 2.521 -4.429 498 HG13 VAL 67 3HG1 VAL 67 -6.879 1.046 -4.075 499 HG21 VAL 67 1HG2 VAL 67 -4.230 2.680 -2.747 500 HG22 VAL 67 2HG2 VAL 67 -5.012 1.421 -1.793 501 HG23 VAL 67 3HG2 VAL 67 -4.944 1.282 -3.550 502 H ARG 68 H ARG 68 -7.472 5.294 -5.267 503 HA ARG 68 HA ARG 68 -9.161 6.815 -3.479 504 HB2 ARG 68 1HB ARG 68 -8.959 6.670 -6.487 505 HB3 ARG 68 2HB ARG 68 -10.139 7.671 -5.652 506 HG2 ARG 68 1HG ARG 68 -7.279 7.968 -4.911 507 HG3 ARG 68 2HG ARG 68 -7.822 8.632 -6.453 508 HD2 ARG 68 1HD ARG 68 -9.430 9.206 -4.017 509 HD3 ARG 68 2HD ARG 68 -7.898 10.052 -4.227 510 HE ARG 68 HE ARG 68 -10.308 10.627 -5.555 511 HH11 ARG 68 2HH1 ARG 68 -6.896 10.325 -6.179 512 HH12 ARG 68 1HH1 ARG 68 -6.906 11.447 -7.500 513 HH21 ARG 68 2HH2 ARG 68 -10.334 12.106 -7.292 514 HH22 ARG 68 1HH2 ARG 68 -8.862 12.459 -8.131 515 H ASN 69 H ASN 69 -11.559 6.917 -3.992 516 HA ASN 69 HA ASN 69 -13.597 5.909 -3.947 517 HB2 ASN 69 1HB ASN 69 -12.149 4.290 -6.020 518 HB3 ASN 69 2HB ASN 69 -13.776 3.836 -5.522 519 HD21 ASN 69 1HD2 ASN 69 -15.415 4.771 -6.518 520 HD22 ASN 69 2HD2 ASN 69 -15.324 6.192 -7.497 521 H LEU 70 H LEU 70 -12.172 5.351 -1.756 522 HA LEU 70 HA LEU 70 -11.665 2.656 -1.183 523 HB2 LEU 70 1HB LEU 70 -12.172 5.102 0.428 524 HB3 LEU 70 2HB LEU 70 -12.248 3.541 1.243 525 HG LEU 70 HG LEU 70 -9.872 4.735 -0.179 526 HD11 LEU 70 1HD1 LEU 70 -10.069 3.907 2.696 527 HD12 LEU 70 2HD1 LEU 70 -10.557 5.515 2.161 528 HD13 LEU 70 3HD1 LEU 70 -8.895 4.974 1.926 529 HD21 LEU 70 1HD2 LEU 70 -9.712 2.448 -0.646 530 HD22 LEU 70 2HD2 LEU 70 -10.353 1.988 0.932 531 HD23 LEU 70 3HD2 LEU 70 -8.730 2.668 0.803 532 H ARG 71 H ARG 71 -12.879 1.045 -0.224 533 HA ARG 71 HA ARG 71 -15.705 1.541 0.304 534 HB2 ARG 71 1HB ARG 71 -14.713 -0.518 -1.675 535 HB3 ARG 71 2HB ARG 71 -16.358 -0.443 -1.056 536 HG2 ARG 71 1HG ARG 71 -15.127 1.917 -2.421 537 HG3 ARG 71 2HG ARG 71 -15.843 0.598 -3.349 538 HD2 ARG 71 1HD ARG 71 -17.224 2.274 -1.256 539 HD3 ARG 71 2HD ARG 71 -17.462 2.377 -3.000 540 HE ARG 71 HE ARG 71 -18.604 0.449 -1.209 541 HH11 ARG 71 2HH1 ARG 71 -17.624 1.057 -4.494 542 HH12 ARG 71 1HH1 ARG 71 -18.711 -0.110 -5.172 543 HH21 ARG 71 2HH2 ARG 71 -20.038 -1.091 -2.089 544 HH22 ARG 71 1HH2 ARG 71 -20.084 -1.331 -3.803 545 HA PRO 72 HA PRO 72 -15.041 -1.261 3.620 546 HB2 PRO 72 1HB PRO 72 -17.556 -2.225 3.964 547 HB3 PRO 72 2HB PRO 72 -17.084 -0.585 4.426 548 HG2 PRO 72 1HG PRO 72 -18.511 -1.523 1.967 549 HG3 PRO 72 2HG PRO 72 -18.844 -0.109 2.983 550 HD2 PRO 72 1HD PRO 72 -17.512 0.067 0.632 551 HD3 PRO 72 2HD PRO 72 -17.177 1.145 2.003 552 H GLN 73 H GLN 73 -16.199 -2.338 0.566 553 HA GLN 73 HA GLN 73 -16.085 -5.154 1.280 554 HB2 GLN 73 1HB GLN 73 -16.793 -5.561 -1.024 555 HB3 GLN 73 2HB GLN 73 -17.845 -4.389 -0.242 556 HG2 GLN 73 1HG GLN 73 -17.155 -2.672 -1.566 557 HG3 GLN 73 2HG GLN 73 -15.551 -3.360 -1.813 558 HE21 GLN 73 1HE2 GLN 73 -18.415 -2.691 -3.271 559 HE22 GLN 73 2HE2 GLN 73 -18.340 -3.807 -4.586 560 H ASP 74 H ASP 74 -13.892 -2.817 0.459 561 HA ASP 74 HA ASP 74 -12.150 -4.629 -1.047 562 HB2 ASP 74 1HB ASP 74 -12.346 -2.432 -2.014 563 HB3 ASP 74 2HB ASP 74 -11.964 -1.667 -0.474 564 H SER 75 H SER 75 -12.720 -3.606 2.106 565 HA SER 75 HA SER 75 -10.306 -3.273 3.325 566 HB2 SER 75 1HB SER 75 -12.316 -5.132 4.564 567 HB3 SER 75 2HB SER 75 -11.323 -3.896 5.337 568 HG SER 75 HG SER 75 -13.731 -3.538 4.816 569 H GLY 76 H GLY 76 -8.493 -4.364 2.896 570 HA2 GLY 76 1HA GLY 76 -8.463 -7.236 3.414 571 HA3 GLY 76 2HA GLY 76 -7.965 -6.723 1.808 572 H ARG 77 H ARG 77 -5.939 -7.799 2.431 573 HA ARG 77 HA ARG 77 -4.231 -6.001 4.023 574 HB2 ARG 77 1HB ARG 77 -4.456 -8.059 5.230 575 HB3 ARG 77 2HB ARG 77 -4.147 -9.008 3.782 576 HG2 ARG 77 1HG ARG 77 -1.860 -8.367 3.749 577 HG3 ARG 77 2HG ARG 77 -2.120 -7.155 5.004 578 HD2 ARG 77 1HD ARG 77 -1.081 -9.057 6.014 579 HD3 ARG 77 2HD ARG 77 -2.759 -8.998 6.554 580 HE ARG 77 HE ARG 77 -2.399 -10.656 4.251 581 HH11 ARG 77 2HH1 ARG 77 -2.144 -10.542 7.721 582 HH12 ARG 77 1HH1 ARG 77 -2.344 -12.251 7.922 583 HH21 ARG 77 2HH2 ARG 77 -2.664 -12.907 4.502 584 HH22 ARG 77 1HH2 ARG 77 -2.639 -13.596 6.090 585 H TYR 78 H TYR 78 -2.750 -4.993 2.851 586 HA TYR 78 HA TYR 78 -2.110 -5.944 0.182 587 HB2 TYR 78 1HB TYR 78 -1.296 -3.436 1.665 588 HB3 TYR 78 2HB TYR 78 -0.863 -3.794 -0.003 589 HD1 TYR 78 2HD TYR 78 -3.952 -3.718 2.110 590 HD2 TYR 78 1HD TYR 78 -2.141 -2.779 -1.623 591 HE1 TYR 78 2HE TYR 78 -6.059 -2.701 1.351 592 HE2 TYR 78 1HE TYR 78 -4.242 -1.757 -2.393 593 HH TYR 78 HH TYR 78 -7.004 -1.390 -0.234 594 H SER 79 H SER 79 0.175 -5.927 -0.549 595 HA SER 79 HA SER 79 2.231 -6.314 1.432 596 HB2 SER 79 1HB SER 79 1.188 -8.518 1.502 597 HB3 SER 79 2HB SER 79 1.306 -8.654 -0.253 598 HG SER 79 HG SER 79 3.593 -8.240 1.349 599 H CYS 80 H CYS 80 4.057 -5.535 0.621 600 HA CYS 80 HA CYS 80 4.287 -5.253 -2.291 601 HB2 CYS 80 1HB CYS 80 4.508 -3.295 -0.551 602 HB3 CYS 80 2HB CYS 80 6.144 -3.914 -0.360 603 HG CYS 80 HG CYS 80 7.145 -2.887 -2.503 604 H SER 81 H SER 81 5.409 -6.802 -3.259 605 HA SER 81 HA SER 81 7.407 -8.322 -1.812 606 HB2 SER 81 1HB SER 81 5.648 -9.148 -3.612 607 HB3 SER 81 2HB SER 81 6.928 -8.698 -4.738 608 HG SER 81 HG SER 81 6.746 -10.867 -3.155 609 H PHE 82 H PHE 82 9.530 -7.987 -1.881 610 HA PHE 82 HA PHE 82 10.798 -6.780 -4.178 611 HB2 PHE 82 1HB PHE 82 10.306 -4.719 -3.193 612 HB3 PHE 82 2HB PHE 82 10.523 -5.339 -1.560 613 HD1 PHE 82 1HD PHE 82 12.481 -4.786 -4.685 614 HD2 PHE 82 2HD PHE 82 12.441 -4.779 -0.429 615 HE1 PHE 82 1HE PHE 82 14.783 -3.918 -4.669 616 HE2 PHE 82 2HE PHE 82 14.743 -3.910 -0.406 617 HZ PHE 82 HZ PHE 82 15.917 -3.478 -2.527 618 H GLY 83 H GLY 83 12.801 -7.569 -4.445 619 HA2 GLY 83 1HA GLY 83 14.713 -8.777 -4.055 620 HA3 GLY 83 2HA GLY 83 14.642 -8.146 -2.416 621 H ASP 84 H ASP 84 14.425 -9.586 -0.844 622 HA ASP 84 HA ASP 84 13.321 -12.232 -1.530 623 HB2 ASP 84 1HB ASP 84 15.814 -12.045 -0.921 624 HB3 ASP 84 2HB ASP 84 15.259 -11.737 0.721 625 H GLN 85 H GLN 85 13.464 -9.658 0.855 626 HA GLN 85 HA GLN 85 11.658 -10.992 2.668 627 HB2 GLN 85 1HB GLN 85 12.708 -8.157 2.643 628 HB3 GLN 85 2HB GLN 85 11.755 -8.867 3.939 629 HG2 GLN 85 1HG GLN 85 13.876 -9.099 4.762 630 HG3 GLN 85 2HG GLN 85 13.642 -10.658 3.972 631 HE21 GLN 85 1HE2 GLN 85 15.838 -10.984 3.697 632 HE22 GLN 85 2HE2 GLN 85 16.769 -10.098 2.543 633 H THR 86 H THR 86 9.554 -10.264 3.213 634 HA THR 86 HA THR 86 8.261 -8.421 1.347 635 HB THR 86 HB THR 86 7.199 -11.202 1.881 636 HG1 THR 86 1HG THR 86 8.630 -10.045 -0.241 637 HG21 THR 86 1HG2 THR 86 6.036 -8.757 0.685 638 HG22 THR 86 2HG2 THR 86 5.249 -10.091 1.527 639 HG23 THR 86 3HG2 THR 86 5.726 -10.272 -0.161 640 H THR 87 H THR 87 6.672 -7.221 2.254 641 HA THR 87 HA THR 87 5.860 -7.911 5.003 642 HB THR 87 HB THR 87 7.409 -5.945 4.885 643 HG1 THR 87 1HG THR 87 4.802 -5.184 5.723 644 HG21 THR 87 1HG2 THR 87 5.207 -4.245 3.863 645 HG22 THR 87 2HG2 THR 87 6.095 -5.201 2.676 646 HG23 THR 87 3HG2 THR 87 6.953 -4.054 3.705 647 H SER 88 H SER 88 3.755 -7.144 5.661 648 HA SER 88 HA SER 88 1.934 -6.313 3.543 649 HB2 SER 88 1HB SER 88 0.408 -8.128 3.815 650 HB3 SER 88 2HB SER 88 2.001 -8.852 3.600 651 HG SER 88 HG SER 88 1.993 -8.737 6.055 652 H ALA 89 H ALA 89 -0.024 -5.419 4.307 653 HA ALA 89 HA ALA 89 -0.287 -5.085 7.204 654 HB1 ALA 89 1HB ALA 89 0.079 -2.877 5.213 655 HB2 ALA 89 2HB ALA 89 -0.802 -2.609 6.717 656 HB3 ALA 89 3HB ALA 89 0.884 -3.125 6.763 657 H THR 90 H THR 90 -2.388 -4.514 7.904 658 HA THR 90 HA THR 90 -4.471 -5.226 5.969 659 HB THR 90 HB THR 90 -4.569 -5.094 8.989 660 HG1 THR 90 1HG THR 90 -4.187 -7.193 8.907 661 HG21 THR 90 1HG2 THR 90 -6.790 -5.067 8.829 662 HG22 THR 90 2HG2 THR 90 -6.729 -6.571 7.909 663 HG23 THR 90 3HG2 THR 90 -6.682 -5.021 7.070 664 H LEU 91 H LEU 91 -6.133 -3.887 5.444 665 HA LEU 91 HA LEU 91 -6.048 -1.170 6.580 666 HB2 LEU 91 1HB LEU 91 -5.399 -1.365 4.188 667 HB3 LEU 91 2HB LEU 91 -7.011 -1.990 3.845 668 HG LEU 91 HG LEU 91 -7.934 0.188 4.678 669 HD11 LEU 91 1HD1 LEU 91 -5.010 0.894 4.709 670 HD12 LEU 91 2HD1 LEU 91 -6.169 1.007 6.032 671 HD13 LEU 91 3HD1 LEU 91 -6.299 2.096 4.651 672 HD21 LEU 91 1HD2 LEU 91 -6.881 1.463 2.616 673 HD22 LEU 91 2HD2 LEU 91 -7.996 0.114 2.398 674 HD23 LEU 91 3HD2 LEU 91 -6.258 -0.144 2.246 675 H THR 92 H THR 92 -7.761 -0.584 7.722 676 HA THR 92 HA THR 92 -10.242 -2.129 7.443 677 HB THR 92 HB THR 92 -9.396 -0.284 9.685 678 HG1 THR 92 1HG THR 92 -9.626 -3.104 9.824 679 HG21 THR 92 1HG2 THR 92 -11.308 -1.024 10.871 680 HG22 THR 92 2HG2 THR 92 -11.648 -2.283 9.683 681 HG23 THR 92 3HG2 THR 92 -11.880 -0.586 9.262 682 H VAL 93 H VAL 93 -11.936 -1.250 6.463 683 HA VAL 93 HA VAL 93 -12.038 1.685 6.199 684 HB VAL 93 HB VAL 93 -13.200 -0.386 4.331 685 HG11 VAL 93 1HG1 VAL 93 -14.120 2.143 4.743 686 HG12 VAL 93 2HG1 VAL 93 -12.960 2.394 3.437 687 HG13 VAL 93 3HG1 VAL 93 -14.282 1.244 3.235 688 HG21 VAL 93 1HG2 VAL 93 -10.573 0.730 4.526 689 HG22 VAL 93 2HG2 VAL 93 -11.195 -0.452 3.374 690 HG23 VAL 93 3HG2 VAL 93 -11.332 1.272 3.029 691 H THR 94 H THR 94 -13.713 2.703 7.083 692 HA THR 94 HA THR 94 -15.827 1.136 8.318 693 HB THR 94 HB THR 94 -15.300 4.113 8.433 694 HG1 THR 94 1HG THR 94 -14.795 2.087 10.375 695 HG21 THR 94 1HG2 THR 94 -17.477 4.071 9.093 696 HG22 THR 94 2HG2 THR 94 -16.745 3.602 10.628 697 HG23 THR 94 3HG2 THR 94 -17.417 2.372 9.558 698 H ALA 95 H ALA 95 -17.958 1.181 7.769 699 HA ALA 95 HA ALA 95 -18.596 2.302 5.155 700 HB1 ALA 95 1HB ALA 95 -19.527 0.264 5.049 701 HB2 ALA 95 2HB ALA 95 -19.611 0.101 6.804 702 HB3 ALA 95 3HB ALA 95 -20.854 1.007 5.942 703 H LEU 96 H LEU 96 -19.820 4.053 4.850 704 HA LEU 96 HA LEU 96 -20.394 5.931 6.725 705 HB2 LEU 96 1HB LEU 96 -21.848 5.258 4.184 706 HB3 LEU 96 2HB LEU 96 -22.270 6.660 5.165 707 HG LEU 96 HG LEU 96 -19.534 6.213 3.984 708 HD11 LEU 96 1HD1 LEU 96 -20.106 7.632 2.188 709 HD12 LEU 96 2HD1 LEU 96 -21.657 8.052 2.914 710 HD13 LEU 96 3HD1 LEU 96 -21.391 6.427 2.283 711 HD21 LEU 96 1HD2 LEU 96 -19.601 7.690 5.923 712 HD22 LEU 96 2HD2 LEU 96 -20.871 8.649 5.160 713 HD23 LEU 96 3HD2 LEU 96 -19.257 8.597 4.449 714 HA PRO 97 HA PRO 97 -23.643 4.417 9.277 715 HB2 PRO 97 1HB PRO 97 -24.670 6.779 10.133 716 HB3 PRO 97 2HB PRO 97 -23.125 6.140 10.705 717 HG2 PRO 97 1HG PRO 97 -23.658 8.211 8.611 718 HG3 PRO 97 2HG PRO 97 -22.432 8.206 9.892 719 HD2 PRO 97 1HD PRO 97 -21.862 7.551 7.327 720 HD3 PRO 97 2HD PRO 97 -21.021 6.820 8.708 721 H SER 98 H SER 98 -25.952 4.343 9.475 722 HA SER 98 HA SER 98 -27.301 5.001 6.960 723 HB2 SER 98 1HB SER 98 -27.943 3.063 9.183 724 HB3 SER 98 2HB SER 98 -29.094 3.446 7.903 725 HG SER 98 HG SER 98 -26.960 1.794 7.843 726 H GLY 99 H GLY 99 -28.295 4.861 10.388 727 HA2 GLY 99 1HA GLY 99 -28.998 7.538 10.674 728 HA3 GLY 99 2HA GLY 99 -30.415 6.710 10.045 729 HA PRO 100 HA PRO 100 -29.375 4.950 14.464 730 HB2 PRO 100 1HB PRO 100 -27.952 6.651 16.029 731 HB3 PRO 100 2HB PRO 100 -27.194 5.411 15.023 732 HG2 PRO 100 1HG PRO 100 -27.538 8.336 14.486 733 HG3 PRO 100 2HG PRO 100 -26.122 7.306 14.206 734 HD2 PRO 100 1HD PRO 100 -27.825 8.011 12.223 735 HD3 PRO 100 2HD PRO 100 -26.973 6.454 12.241 736 H SER 101 H SER 101 -30.034 8.285 13.708 737 HA SER 101 HA SER 101 -31.174 9.318 15.946 738 HB2 SER 101 1HB SER 101 -31.025 10.508 13.781 739 HB3 SER 101 2HB SER 101 -32.350 9.521 13.162 740 HG SER 101 HG SER 101 -32.433 11.391 15.291 741 H SER 102 H SER 102 -32.843 7.236 13.589 742 HA SER 102 HA SER 102 -34.958 6.792 15.584 743 HB2 SER 102 1HB SER 102 -36.399 6.140 13.741 744 HB3 SER 102 2HB SER 102 -35.672 7.705 13.378 745 HG SER 102 HG SER 102 -33.992 6.158 12.332 746 H GLY 103 H GLY 103 -35.493 4.751 16.249 747 HA2 GLY 103 1HA GLY 103 -33.473 2.740 16.004 748 HA3 GLY 103 2HA GLY 103 -35.001 2.582 16.858 Start of MODEL 4 1 H1 GLY 1 H GLY 1 37.013 -8.507 11.962 2 HA2 GLY 1 1HA GLY 1 35.515 -7.924 10.063 3 HA3 GLY 1 2HA GLY 1 34.710 -9.456 10.370 4 H SER 2 H SER 2 32.912 -7.721 10.362 5 HA SER 2 HA SER 2 32.409 -7.005 13.168 6 HB2 SER 2 1HB SER 2 32.300 -5.235 10.763 7 HB3 SER 2 2HB SER 2 31.115 -4.982 12.045 8 HG SER 2 HG SER 2 32.627 -4.024 13.124 9 H SER 3 H SER 3 30.274 -7.142 13.844 10 HA SER 3 HA SER 3 28.648 -8.993 12.396 11 HB2 SER 3 1HB SER 3 28.788 -8.896 14.896 12 HB3 SER 3 2HB SER 3 27.898 -7.374 14.841 13 HG SER 3 HG SER 3 27.006 -9.930 13.994 14 H GLY 4 H GLY 4 27.715 -8.288 10.565 15 HA2 GLY 4 1HA GLY 4 25.441 -6.991 10.271 16 HA3 GLY 4 2HA GLY 4 26.517 -5.619 10.492 17 H SER 5 H SER 5 25.989 -8.491 8.481 18 HA SER 5 HA SER 5 27.779 -7.697 6.426 19 HB2 SER 5 1HB SER 5 25.466 -9.648 6.424 20 HB3 SER 5 2HB SER 5 26.577 -9.439 5.070 21 HG SER 5 HG SER 5 28.262 -10.115 6.400 22 H SER 6 H SER 6 27.221 -7.044 4.259 23 HA SER 6 HA SER 6 24.774 -5.403 4.168 24 HB2 SER 6 1HB SER 6 27.096 -4.245 4.203 25 HB3 SER 6 2HB SER 6 27.228 -4.802 2.535 26 HG SER 6 HG SER 6 25.294 -3.669 2.086 27 H GLY 7 H GLY 7 23.376 -6.659 3.051 28 HA2 GLY 7 1HA GLY 7 24.087 -7.256 0.274 29 HA3 GLY 7 2HA GLY 7 23.554 -8.593 1.282 30 HA PRO 8 HA PRO 8 19.429 -7.705 0.062 31 HB2 PRO 8 1HB PRO 8 18.095 -8.871 2.119 32 HB3 PRO 8 2HB PRO 8 18.901 -9.798 0.848 33 HG2 PRO 8 1HG PRO 8 19.852 -9.146 3.610 34 HG3 PRO 8 2HG PRO 8 19.957 -10.678 2.724 35 HD2 PRO 8 1HD PRO 8 22.052 -8.976 2.944 36 HD3 PRO 8 2HD PRO 8 21.797 -9.998 1.514 37 H VAL 9 H VAL 9 17.406 -6.691 0.875 38 HA VAL 9 HA VAL 9 18.058 -4.490 2.707 39 HB VAL 9 HB VAL 9 15.725 -4.664 0.799 40 HG11 VAL 9 1HG1 VAL 9 16.921 -2.374 2.354 41 HG12 VAL 9 2HG1 VAL 9 15.659 -2.212 1.131 42 HG13 VAL 9 3HG1 VAL 9 15.344 -3.120 2.611 43 HG21 VAL 9 1HG2 VAL 9 17.391 -2.780 -0.241 44 HG22 VAL 9 2HG2 VAL 9 18.541 -3.979 0.351 45 HG23 VAL 9 3HG2 VAL 9 17.290 -4.450 -0.799 46 H ARG 10 H ARG 10 16.944 -4.147 4.554 47 HA ARG 10 HA ARG 10 14.915 -6.151 5.265 48 HB2 ARG 10 1HB ARG 10 16.953 -4.629 6.822 49 HB3 ARG 10 2HB ARG 10 15.460 -5.084 7.633 50 HG2 ARG 10 1HG ARG 10 16.958 -6.809 8.115 51 HG3 ARG 10 2HG ARG 10 15.933 -7.451 6.829 52 HD2 ARG 10 1HD ARG 10 17.691 -6.762 5.194 53 HD3 ARG 10 2HD ARG 10 18.720 -6.337 6.560 54 HE ARG 10 HE ARG 10 18.095 -8.987 5.608 55 HH11 ARG 10 2HH1 ARG 10 19.226 -7.068 8.284 56 HH12 ARG 10 1HH1 ARG 10 20.060 -8.383 9.043 57 HH21 ARG 10 2HH2 ARG 10 19.190 -10.726 6.597 58 HH22 ARG 10 1HH2 ARG 10 20.040 -10.463 8.082 59 H PHE 11 H PHE 11 12.871 -5.569 5.661 60 HA PHE 11 HA PHE 11 11.965 -2.965 5.033 61 HB2 PHE 11 1HB PHE 11 10.719 -5.480 6.017 62 HB3 PHE 11 2HB PHE 11 9.813 -3.989 6.246 63 HD1 PHE 11 2HD PHE 11 9.352 -2.547 4.210 64 HD2 PHE 11 1HD PHE 11 10.740 -6.563 3.955 65 HE1 PHE 11 2HE PHE 11 8.563 -2.669 1.883 66 HE2 PHE 11 1HE PHE 11 9.954 -6.691 1.627 67 HZ PHE 11 HZ PHE 11 8.862 -4.743 0.588 68 H GLN 12 H GLN 12 13.364 -1.765 6.530 69 HA GLN 12 HA GLN 12 13.289 -1.883 9.286 70 HB2 GLN 12 1HB GLN 12 14.745 -0.414 7.796 71 HB3 GLN 12 2HB GLN 12 13.394 0.711 7.756 72 HG2 GLN 12 1HG GLN 12 14.642 1.580 9.461 73 HG3 GLN 12 2HG GLN 12 13.536 0.536 10.351 74 HE21 GLN 12 1HE2 GLN 12 15.803 1.277 11.567 75 HE22 GLN 12 2HE2 GLN 12 16.910 -0.045 11.669 76 H GLU 13 H GLU 13 11.180 0.010 7.136 77 HA GLU 13 HA GLU 13 9.175 0.051 9.281 78 HB2 GLU 13 1HB GLU 13 10.313 2.371 7.783 79 HB3 GLU 13 2HB GLU 13 8.618 2.415 8.245 80 HG2 GLU 13 1HG GLU 13 9.580 3.450 10.036 81 HG3 GLU 13 2HG GLU 13 9.544 1.781 10.602 82 H ALA 14 H ALA 14 8.316 -1.739 8.014 83 HA ALA 14 HA ALA 14 7.350 -1.256 5.352 84 HB1 ALA 14 1HB ALA 14 6.173 -3.504 6.814 85 HB2 ALA 14 2HB ALA 14 7.011 -3.470 5.262 86 HB3 ALA 14 3HB ALA 14 7.936 -3.509 6.763 87 H LEU 15 H LEU 15 4.888 -2.119 5.100 88 HA LEU 15 HA LEU 15 3.219 -0.049 5.686 89 HB2 LEU 15 1HB LEU 15 2.396 -2.946 5.568 90 HB3 LEU 15 2HB LEU 15 1.350 -1.553 5.306 91 HG LEU 15 HG LEU 15 3.650 -2.383 3.536 92 HD11 LEU 15 1HD1 LEU 15 0.736 -2.442 2.833 93 HD12 LEU 15 2HD1 LEU 15 1.529 -3.820 3.595 94 HD13 LEU 15 3HD1 LEU 15 2.090 -3.236 2.029 95 HD21 LEU 15 1HD2 LEU 15 3.580 -0.252 2.876 96 HD22 LEU 15 2HD2 LEU 15 2.082 0.062 3.754 97 HD23 LEU 15 3HD2 LEU 15 2.028 -0.653 2.142 98 H LYS 16 H LYS 16 1.210 -0.137 7.110 99 HA LYS 16 HA LYS 16 1.450 -1.536 9.611 100 HB2 LYS 16 1HB LYS 16 1.582 0.476 11.017 101 HB3 LYS 16 2HB LYS 16 3.015 0.290 10.016 102 HG2 LYS 16 1HG LYS 16 1.951 1.912 8.403 103 HG3 LYS 16 2HG LYS 16 0.745 2.224 9.654 104 HD2 LYS 16 1HD LYS 16 2.630 2.796 11.203 105 HD3 LYS 16 2HD LYS 16 3.721 2.679 9.820 106 HE2 LYS 16 1HE LYS 16 2.602 4.478 8.705 107 HE3 LYS 16 2HE LYS 16 1.322 4.501 9.917 108 HZ1 LYS 16 1HZ LYS 16 3.735 5.911 9.928 109 HZ2 LYS 16 2HZ LYS 16 3.783 4.818 11.218 110 HZ3 LYS 16 3HZ LYS 16 2.511 5.927 11.096 111 H ASP 17 H ASP 17 -0.365 -1.016 11.087 112 HA ASP 17 HA ASP 17 -2.821 -1.179 9.859 113 HB2 ASP 17 1HB ASP 17 -1.978 -0.340 12.612 114 HB3 ASP 17 2HB ASP 17 -3.674 -0.238 12.148 115 H LEU 18 H LEU 18 -4.395 0.230 9.221 116 HA LEU 18 HA LEU 18 -3.797 3.104 9.429 117 HB2 LEU 18 1HB LEU 18 -4.644 1.530 7.016 118 HB3 LEU 18 2HB LEU 18 -4.896 3.271 7.130 119 HG LEU 18 HG LEU 18 -2.175 2.020 7.404 120 HD11 LEU 18 1HD1 LEU 18 -3.597 2.921 4.908 121 HD12 LEU 18 2HD1 LEU 18 -2.943 1.321 5.258 122 HD13 LEU 18 3HD1 LEU 18 -1.852 2.686 5.019 123 HD21 LEU 18 1HD2 LEU 18 -2.391 4.664 6.245 124 HD22 LEU 18 2HD2 LEU 18 -1.440 4.110 7.623 125 HD23 LEU 18 3HD2 LEU 18 -3.123 4.587 7.847 126 H GLU 19 H GLU 19 -5.668 4.504 9.244 127 HA GLU 19 HA GLU 19 -8.230 3.175 9.793 128 HB2 GLU 19 1HB GLU 19 -7.070 3.980 11.903 129 HB3 GLU 19 2HB GLU 19 -7.293 5.615 11.298 130 HG2 GLU 19 1HG GLU 19 -9.777 5.009 11.139 131 HG3 GLU 19 2HG GLU 19 -9.366 3.639 12.170 132 H VAL 20 H VAL 20 -9.712 3.829 8.397 133 HA VAL 20 HA VAL 20 -9.967 6.626 7.697 134 HB VAL 20 HB VAL 20 -8.396 6.010 6.000 135 HG11 VAL 20 1HG1 VAL 20 -9.171 4.137 4.359 136 HG12 VAL 20 2HG1 VAL 20 -8.351 3.708 5.862 137 HG13 VAL 20 3HG1 VAL 20 -10.106 3.576 5.744 138 HG21 VAL 20 1HG2 VAL 20 -9.647 6.481 4.000 139 HG22 VAL 20 2HG2 VAL 20 -11.144 5.938 4.759 140 HG23 VAL 20 3HG2 VAL 20 -10.344 7.400 5.334 141 H LEU 21 H LEU 21 -11.953 7.095 6.558 142 HA LEU 21 HA LEU 21 -13.983 5.000 6.967 143 HB2 LEU 21 1HB LEU 21 -14.173 7.029 8.391 144 HB3 LEU 21 2HB LEU 21 -14.383 7.988 6.927 145 HG LEU 21 HG LEU 21 -16.263 5.733 7.444 146 HD11 LEU 21 1HD1 LEU 21 -16.006 8.183 9.078 147 HD12 LEU 21 2HD1 LEU 21 -16.656 6.598 9.497 148 HD13 LEU 21 3HD1 LEU 21 -17.632 7.732 8.564 149 HD21 LEU 21 1HD2 LEU 21 -17.049 6.632 5.560 150 HD22 LEU 21 2HD2 LEU 21 -16.070 8.087 5.746 151 HD23 LEU 21 3HD2 LEU 21 -17.626 7.959 6.567 152 H GLU 22 H GLU 22 -15.452 4.556 5.364 153 HA GLU 22 HA GLU 22 -14.734 4.724 2.730 154 HB2 GLU 22 1HB GLU 22 -16.544 3.283 3.643 155 HB3 GLU 22 2HB GLU 22 -17.578 4.700 3.755 156 HG2 GLU 22 1HG GLU 22 -16.442 3.505 1.239 157 HG3 GLU 22 2HG GLU 22 -18.117 3.430 1.781 158 H GLY 23 H GLY 23 -14.592 6.303 1.281 159 HA2 GLY 23 1HA GLY 23 -15.876 8.118 0.158 160 HA3 GLY 23 2HA GLY 23 -16.147 8.770 1.767 161 H GLY 24 H GLY 24 -13.095 7.389 0.722 162 HA2 GLY 24 1HA GLY 24 -11.923 9.956 0.116 163 HA3 GLY 24 2HA GLY 24 -11.424 9.302 1.669 164 H ALA 25 H ALA 25 -9.301 8.930 1.179 165 HA ALA 25 HA ALA 25 -8.810 6.693 -0.645 166 HB1 ALA 25 1HB ALA 25 -6.640 8.558 -0.859 167 HB2 ALA 25 2HB ALA 25 -7.653 7.870 -2.129 168 HB3 ALA 25 3HB ALA 25 -8.158 9.341 -1.298 169 H ALA 26 H ALA 26 -6.786 5.596 -0.254 170 HA ALA 26 HA ALA 26 -5.837 5.972 2.510 171 HB1 ALA 26 1HB ALA 26 -5.126 3.523 2.253 172 HB2 ALA 26 2HB ALA 26 -6.846 3.868 2.438 173 HB3 ALA 26 3HB ALA 26 -6.186 3.503 0.844 174 H THR 27 H THR 27 -3.738 6.363 2.865 175 HA THR 27 HA THR 27 -1.896 6.153 0.572 176 HB THR 27 HB THR 27 -1.828 8.157 2.836 177 HG1 THR 27 1HG THR 27 -3.360 8.329 0.907 178 HG21 THR 27 1HG2 THR 27 -0.053 9.155 1.176 179 HG22 THR 27 2HG2 THR 27 0.102 7.474 0.663 180 HG23 THR 27 3HG2 THR 27 0.410 7.916 2.342 181 H LEU 28 H LEU 28 -0.994 4.177 1.005 182 HA LEU 28 HA LEU 28 -0.056 3.513 3.653 183 HB2 LEU 28 1HB LEU 28 0.331 2.083 1.027 184 HB3 LEU 28 2HB LEU 28 0.724 1.437 2.619 185 HG LEU 28 HG LEU 28 -1.853 1.888 3.037 186 HD11 LEU 28 1HD1 LEU 28 -1.539 1.844 0.072 187 HD12 LEU 28 2HD1 LEU 28 -2.620 2.809 1.077 188 HD13 LEU 28 3HD1 LEU 28 -2.959 1.100 0.808 189 HD21 LEU 28 1HD2 LEU 28 -0.761 -0.466 1.499 190 HD22 LEU 28 2HD2 LEU 28 -2.276 -0.440 2.401 191 HD23 LEU 28 3HD2 LEU 28 -0.740 -0.265 3.251 192 H ARG 29 H ARG 29 1.897 3.922 4.450 193 HA ARG 29 HA ARG 29 4.030 4.705 2.572 194 HB2 ARG 29 1HB ARG 29 3.209 5.797 5.227 195 HB3 ARG 29 2HB ARG 29 4.910 5.854 4.787 196 HG2 ARG 29 1HG ARG 29 2.610 7.099 3.300 197 HG3 ARG 29 2HG ARG 29 3.880 7.932 4.197 198 HD2 ARG 29 1HD ARG 29 5.436 6.591 2.533 199 HD3 ARG 29 2HD ARG 29 3.981 6.604 1.538 200 HE ARG 29 HE ARG 29 4.343 9.202 2.376 201 HH11 ARG 29 2HH1 ARG 29 6.154 6.854 0.552 202 HH12 ARG 29 1HH1 ARG 29 6.967 8.040 -0.415 203 HH21 ARG 29 2HH2 ARG 29 5.406 10.773 1.109 204 HH22 ARG 29 1HH2 ARG 29 6.541 10.268 -0.097 205 H CYS 30 H CYS 30 6.158 4.031 3.024 206 HA CYS 30 HA CYS 30 6.790 2.367 5.251 207 HB2 CYS 30 1HB CYS 30 7.366 0.401 3.573 208 HB3 CYS 30 2HB CYS 30 5.773 0.534 4.309 209 HG CYS 30 HG CYS 30 4.675 1.845 2.031 210 H VAL 31 H VAL 31 8.911 2.508 5.620 211 HA VAL 31 HA VAL 31 10.627 3.464 3.426 212 HB VAL 31 HB VAL 31 11.088 3.753 6.397 213 HG11 VAL 31 1HG1 VAL 31 13.131 4.497 5.923 214 HG12 VAL 31 2HG1 VAL 31 12.892 3.885 4.285 215 HG13 VAL 31 3HG1 VAL 31 12.520 5.568 4.663 216 HG21 VAL 31 1HG2 VAL 31 10.456 6.031 4.571 217 HG22 VAL 31 2HG2 VAL 31 9.147 5.051 5.232 218 HG23 VAL 31 3HG2 VAL 31 10.247 5.901 6.317 219 H LEU 32 H LEU 32 12.358 2.305 2.818 220 HA LEU 32 HA LEU 32 12.858 -0.215 4.234 221 HB2 LEU 32 1HB LEU 32 14.072 0.413 1.590 222 HB3 LEU 32 2HB LEU 32 13.555 -1.137 2.251 223 HG LEU 32 HG LEU 32 11.698 1.021 1.250 224 HD11 LEU 32 1HD1 LEU 32 12.822 0.195 -0.647 225 HD12 LEU 32 2HD1 LEU 32 11.293 -0.682 -0.581 226 HD13 LEU 32 3HD1 LEU 32 12.781 -1.464 -0.048 227 HD21 LEU 32 1HD2 LEU 32 11.171 -1.838 2.057 228 HD22 LEU 32 2HD2 LEU 32 9.984 -0.698 1.421 229 HD23 LEU 32 3HD2 LEU 32 10.733 -0.407 2.992 230 H SER 33 H SER 33 15.162 -0.977 4.226 231 HA SER 33 HA SER 33 16.788 0.737 5.675 232 HB2 SER 33 1HB SER 33 16.954 -1.809 5.438 233 HB3 SER 33 2HB SER 33 17.880 -1.500 3.970 234 HG SER 33 HG SER 33 18.577 -0.275 6.411 235 H SER 34 H SER 34 16.265 0.590 2.295 236 HA SER 34 HA SER 34 17.791 2.920 1.798 237 HB2 SER 34 1HB SER 34 19.511 0.930 1.964 238 HB3 SER 34 2HB SER 34 18.950 0.581 0.329 239 HG SER 34 HG SER 34 19.621 2.611 -0.311 240 H VAL 35 H VAL 35 17.428 3.770 -0.266 241 HA VAL 35 HA VAL 35 15.002 3.134 -1.479 242 HB VAL 35 HB VAL 35 15.819 5.312 -1.845 243 HG11 VAL 35 1HG1 VAL 35 18.022 5.366 -3.400 244 HG12 VAL 35 2HG1 VAL 35 18.061 5.463 -1.639 245 HG13 VAL 35 3HG1 VAL 35 18.345 3.919 -2.445 246 HG21 VAL 35 1HG2 VAL 35 15.628 5.586 -4.176 247 HG22 VAL 35 2HG2 VAL 35 16.326 3.999 -4.503 248 HG23 VAL 35 3HG2 VAL 35 14.711 4.125 -3.804 249 H ALA 36 H ALA 36 14.449 1.445 -2.671 250 HA ALA 36 HA ALA 36 16.409 0.324 -4.551 251 HB1 ALA 36 1HB ALA 36 16.311 -1.071 -2.493 252 HB2 ALA 36 2HB ALA 36 14.606 -1.372 -2.833 253 HB3 ALA 36 3HB ALA 36 15.841 -1.928 -3.962 254 H ALA 37 H ALA 37 15.619 -0.120 -6.529 255 HA ALA 37 HA ALA 37 12.876 -0.725 -7.031 256 HB1 ALA 37 1HB ALA 37 12.031 1.305 -7.308 257 HB2 ALA 37 2HB ALA 37 13.601 2.036 -6.969 258 HB3 ALA 37 3HB ALA 37 13.177 1.583 -8.620 259 HA PRO 38 HA PRO 38 11.663 0.181 -9.134 260 HB2 PRO 38 1HB PRO 38 10.445 -1.627 -10.752 261 HB3 PRO 38 2HB PRO 38 11.249 -0.177 -11.366 262 HG2 PRO 38 1HG PRO 38 12.260 -2.992 -11.236 263 HG3 PRO 38 2HG PRO 38 12.401 -1.813 -12.552 264 HD2 PRO 38 1HD PRO 38 14.428 -2.325 -10.831 265 HD3 PRO 38 2HD PRO 38 14.172 -0.724 -11.555 266 H VAL 39 H VAL 39 9.872 -0.585 -7.988 267 HA VAL 39 HA VAL 39 10.366 -3.056 -6.485 268 HB VAL 39 HB VAL 39 8.498 -2.144 -5.000 269 HG11 VAL 39 1HG1 VAL 39 10.152 -1.482 -3.665 270 HG12 VAL 39 2HG1 VAL 39 11.242 -1.714 -5.033 271 HG13 VAL 39 3HG1 VAL 39 10.548 -0.123 -4.716 272 HG21 VAL 39 1HG2 VAL 39 9.118 0.574 -5.961 273 HG22 VAL 39 2HG2 VAL 39 8.066 -0.389 -6.998 274 HG23 VAL 39 3HG2 VAL 39 7.615 -0.090 -5.320 275 H LYS 40 H LYS 40 8.183 -4.083 -5.711 276 HA LYS 40 HA LYS 40 6.404 -4.336 -8.046 277 HB2 LYS 40 1HB LYS 40 8.002 -6.287 -7.603 278 HB3 LYS 40 2HB LYS 40 7.041 -6.601 -6.163 279 HG2 LYS 40 1HG LYS 40 5.031 -6.725 -7.694 280 HG3 LYS 40 2HG LYS 40 6.178 -6.742 -9.036 281 HD2 LYS 40 1HD LYS 40 7.169 -8.772 -8.255 282 HD3 LYS 40 2HD LYS 40 6.257 -8.701 -6.745 283 HE2 LYS 40 1HE LYS 40 4.164 -8.848 -8.150 284 HE3 LYS 40 2HE LYS 40 5.209 -9.213 -9.522 285 HZ1 LYS 40 1HZ LYS 40 5.779 -11.243 -8.666 286 HZ2 LYS 40 2HZ LYS 40 4.186 -11.120 -8.110 287 HZ3 LYS 40 3HZ LYS 40 5.475 -10.796 -7.063 288 H TRP 41 H TRP 41 4.326 -3.955 -7.650 289 HA TRP 41 HA TRP 41 3.394 -4.089 -4.857 290 HB2 TRP 41 1HB TRP 41 2.992 -2.033 -6.971 291 HB3 TRP 41 2HB TRP 41 1.638 -2.363 -5.894 292 HD1 TRP 41 HD TRP 41 5.118 -0.814 -5.945 293 HE1 TRP 41 1HE TRP 41 5.493 0.464 -3.743 294 HE3 TRP 41 3HE TRP 41 0.956 -2.344 -3.400 295 HZ2 TRP 41 2HZ TRP 41 4.197 0.781 -1.255 296 HZ3 TRP 41 3HZ TRP 41 0.598 -1.508 -1.113 297 HH2 TRP 41 HH TRP 41 2.186 0.022 -0.065 298 H CYS 42 H CYS 42 2.277 -5.940 -4.714 299 HA CYS 42 HA CYS 42 0.131 -6.382 -6.678 300 HB2 CYS 42 1HB CYS 42 0.520 -8.765 -6.628 301 HB3 CYS 42 2HB CYS 42 2.026 -7.957 -7.049 302 HG CYS 42 HG CYS 42 3.417 -8.621 -4.922 303 H TYR 43 H TYR 43 -1.787 -7.255 -5.884 304 HA TYR 43 HA TYR 43 -1.981 -7.474 -2.954 305 HB2 TYR 43 1HB TYR 43 -3.039 -5.445 -3.235 306 HB3 TYR 43 2HB TYR 43 -3.609 -5.843 -4.852 307 HD1 TYR 43 2HD TYR 43 -4.065 -7.252 -1.412 308 HD2 TYR 43 1HD TYR 43 -5.897 -5.962 -5.029 309 HE1 TYR 43 2HE TYR 43 -6.273 -7.817 -0.488 310 HE2 TYR 43 1HE TYR 43 -8.111 -6.522 -4.115 311 HH TYR 43 HH TYR 43 -8.469 -7.778 -0.812 312 H GLY 44 H GLY 44 -2.055 -9.689 -2.885 313 HA2 GLY 44 1HA GLY 44 -3.542 -11.534 -2.642 314 HA3 GLY 44 2HA GLY 44 -4.514 -10.886 -3.955 315 H ASN 45 H ASN 45 -4.149 -11.562 -6.002 316 HA ASN 45 HA ASN 45 -1.954 -13.492 -6.371 317 HB2 ASN 45 1HB ASN 45 -3.388 -14.420 -8.220 318 HB3 ASN 45 2HB ASN 45 -4.067 -14.601 -6.605 319 HD21 ASN 45 1HD2 ASN 45 -4.631 -13.570 -9.727 320 HD22 ASN 45 2HD2 ASN 45 -6.092 -12.689 -9.454 321 H ASN 46 H ASN 46 -3.930 -11.164 -8.215 322 HA ASN 46 HA ASN 46 -2.013 -10.967 -10.327 323 HB2 ASN 46 1HB ASN 46 -4.506 -10.569 -10.544 324 HB3 ASN 46 2HB ASN 46 -4.251 -9.028 -9.729 325 HD21 ASN 46 1HD2 ASN 46 -4.188 -7.404 -11.084 326 HD22 ASN 46 2HD2 ASN 46 -3.517 -7.422 -12.676 327 H VAL 47 H VAL 47 -1.152 -8.771 -10.994 328 HA VAL 47 HA VAL 47 0.016 -7.469 -8.628 329 HB VAL 47 HB VAL 47 1.540 -8.581 -10.334 330 HG11 VAL 47 1HG1 VAL 47 0.813 -6.152 -11.968 331 HG12 VAL 47 2HG1 VAL 47 2.024 -7.371 -12.373 332 HG13 VAL 47 3HG1 VAL 47 0.314 -7.805 -12.329 333 HG21 VAL 47 1HG2 VAL 47 3.055 -7.289 -9.353 334 HG22 VAL 47 2HG2 VAL 47 2.633 -5.956 -10.428 335 HG23 VAL 47 3HG2 VAL 47 1.787 -6.152 -8.893 336 H LEU 48 H LEU 48 -0.107 -5.289 -8.349 337 HA LEU 48 HA LEU 48 -2.140 -3.895 -9.836 338 HB2 LEU 48 1HB LEU 48 -0.321 -2.941 -7.629 339 HB3 LEU 48 2HB LEU 48 -1.701 -2.054 -8.273 340 HG LEU 48 HG LEU 48 -2.052 -4.764 -7.036 341 HD11 LEU 48 1HD1 LEU 48 -0.807 -3.047 -5.543 342 HD12 LEU 48 2HD1 LEU 48 -2.196 -3.917 -4.893 343 HD13 LEU 48 3HD1 LEU 48 -2.379 -2.253 -5.448 344 HD21 LEU 48 1HD2 LEU 48 -4.097 -2.777 -6.594 345 HD22 LEU 48 2HD2 LEU 48 -4.216 -4.365 -7.352 346 HD23 LEU 48 3HD2 LEU 48 -3.750 -2.961 -8.313 347 H ARG 49 H ARG 49 -1.880 -2.021 -11.068 348 HA ARG 49 HA ARG 49 0.878 -1.427 -11.912 349 HB2 ARG 49 1HB ARG 49 -1.584 -1.647 -13.650 350 HB3 ARG 49 2HB ARG 49 -0.041 -1.007 -14.198 351 HG2 ARG 49 1HG ARG 49 0.833 -3.333 -13.292 352 HG3 ARG 49 2HG ARG 49 -0.839 -3.800 -13.611 353 HD2 ARG 49 1HD ARG 49 0.468 -4.270 -15.565 354 HD3 ARG 49 2HD ARG 49 -0.588 -2.902 -15.914 355 HE ARG 49 HE ARG 49 1.272 -1.637 -16.272 356 HH11 ARG 49 2HH1 ARG 49 2.161 -4.390 -14.336 357 HH12 ARG 49 1HH1 ARG 49 3.855 -4.025 -14.361 358 HH21 ARG 49 2HH2 ARG 49 3.499 -1.145 -16.312 359 HH22 ARG 49 1HH2 ARG 49 4.615 -2.179 -15.484 360 HA PRO 50 HA PRO 50 -0.064 2.766 -10.965 361 HB2 PRO 50 1HB PRO 50 1.773 3.995 -12.541 362 HB3 PRO 50 2HB PRO 50 2.201 3.139 -11.055 363 HG2 PRO 50 1HG PRO 50 2.375 2.208 -13.895 364 HG3 PRO 50 2HG PRO 50 3.545 2.006 -12.578 365 HD2 PRO 50 1HD PRO 50 1.855 0.033 -13.342 366 HD3 PRO 50 2HD PRO 50 2.396 0.229 -11.663 367 H GLY 51 H GLY 51 -1.057 4.624 -11.815 368 HA2 GLY 51 1HA GLY 51 -1.412 5.359 -14.436 369 HA3 GLY 51 2HA GLY 51 -2.665 4.163 -14.140 370 H ASP 52 H ASP 52 -4.428 5.477 -14.233 371 HA ASP 52 HA ASP 52 -4.522 7.975 -12.803 372 HB2 ASP 52 1HB ASP 52 -6.621 6.416 -14.317 373 HB3 ASP 52 2HB ASP 52 -6.927 7.973 -13.552 374 H LYS 53 H LYS 53 -6.414 4.957 -12.580 375 HA LYS 53 HA LYS 53 -7.810 5.511 -10.269 376 HB2 LYS 53 1HB LYS 53 -8.396 3.564 -11.484 377 HB3 LYS 53 2HB LYS 53 -6.766 2.912 -11.379 378 HG2 LYS 53 1HG LYS 53 -8.056 1.648 -9.883 379 HG3 LYS 53 2HG LYS 53 -7.131 2.767 -8.879 380 HD2 LYS 53 1HD LYS 53 -9.151 4.282 -8.923 381 HD3 LYS 53 2HD LYS 53 -10.036 2.942 -9.657 382 HE2 LYS 53 1HE LYS 53 -10.439 2.926 -7.290 383 HE3 LYS 53 2HE LYS 53 -9.429 1.541 -7.700 384 HZ1 LYS 53 1HZ LYS 53 -8.900 3.593 -5.869 385 HZ2 LYS 53 2HZ LYS 53 -7.748 3.691 -7.103 386 HZ3 LYS 53 3HZ LYS 53 -7.944 2.248 -6.241 387 H TYR 54 H TYR 54 -4.600 4.019 -10.566 388 HA TYR 54 HA TYR 54 -4.248 4.319 -7.663 389 HB2 TYR 54 1HB TYR 54 -2.866 2.578 -9.702 390 HB3 TYR 54 2HB TYR 54 -2.229 2.812 -8.078 391 HD1 TYR 54 1HD TYR 54 -4.388 2.628 -6.283 392 HD2 TYR 54 2HD TYR 54 -3.857 0.517 -9.939 393 HE1 TYR 54 1HE TYR 54 -5.844 0.830 -5.449 394 HE2 TYR 54 2HE TYR 54 -5.313 -1.287 -9.116 395 HH TYR 54 HH TYR 54 -6.980 -1.715 -7.501 396 H SER 55 H SER 55 -1.765 4.636 -7.149 397 HA SER 55 HA SER 55 -0.378 6.402 -8.952 398 HB2 SER 55 1HB SER 55 -1.759 7.452 -6.494 399 HB3 SER 55 2HB SER 55 -0.302 8.229 -7.112 400 HG SER 55 HG SER 55 -2.597 7.721 -8.695 401 H LEU 56 H LEU 56 1.533 5.403 -8.809 402 HA LEU 56 HA LEU 56 2.563 4.669 -6.161 403 HB2 LEU 56 1HB LEU 56 3.288 3.806 -8.946 404 HB3 LEU 56 2HB LEU 56 4.304 3.442 -7.553 405 HG LEU 56 HG LEU 56 2.159 2.351 -6.586 406 HD11 LEU 56 1HD1 LEU 56 0.396 1.960 -7.919 407 HD12 LEU 56 2HD1 LEU 56 1.399 1.695 -9.344 408 HD13 LEU 56 3HD1 LEU 56 1.011 3.337 -8.833 409 HD21 LEU 56 1HD2 LEU 56 3.985 1.294 -8.699 410 HD22 LEU 56 2HD2 LEU 56 2.678 0.281 -8.085 411 HD23 LEU 56 3HD2 LEU 56 3.906 0.902 -6.981 412 H ARG 57 H ARG 57 3.946 6.004 -5.222 413 HA ARG 57 HA ARG 57 5.823 7.517 -6.904 414 HB2 ARG 57 1HB ARG 57 4.100 9.083 -6.263 415 HB3 ARG 57 2HB ARG 57 4.212 8.580 -4.581 416 HG2 ARG 57 1HG ARG 57 5.416 10.514 -4.515 417 HG3 ARG 57 2HG ARG 57 6.705 9.356 -4.848 418 HD2 ARG 57 1HD ARG 57 6.898 10.008 -7.056 419 HD3 ARG 57 2HD ARG 57 5.259 10.655 -7.115 420 HE ARG 57 HE ARG 57 6.957 12.100 -5.321 421 HH11 ARG 57 2HH1 ARG 57 6.028 11.727 -8.655 422 HH12 ARG 57 1HH1 ARG 57 6.469 13.343 -9.095 423 HH21 ARG 57 2HH2 ARG 57 7.542 14.230 -5.888 424 HH22 ARG 57 1HH2 ARG 57 7.331 14.766 -7.520 425 H GLN 58 H GLN 58 7.848 7.077 -6.366 426 HA GLN 58 HA GLN 58 8.404 6.099 -3.649 427 HB2 GLN 58 1HB GLN 58 8.927 4.533 -5.488 428 HB3 GLN 58 2HB GLN 58 10.026 5.723 -6.173 429 HG2 GLN 58 1HG GLN 58 11.490 5.557 -4.298 430 HG3 GLN 58 2HG GLN 58 10.335 4.554 -3.420 431 HE21 GLN 58 1HE2 GLN 58 11.343 2.667 -3.209 432 HE22 GLN 58 2HE2 GLN 58 11.999 1.733 -4.505 433 H GLU 59 H GLU 59 9.351 7.492 -2.330 434 HA GLU 59 HA GLU 59 11.028 9.616 -3.491 435 HB2 GLU 59 1HB GLU 59 9.043 10.447 -2.315 436 HB3 GLU 59 2HB GLU 59 9.531 9.582 -0.864 437 HG2 GLU 59 1HG GLU 59 11.506 10.966 -0.666 438 HG3 GLU 59 2HG GLU 59 11.099 11.796 -2.166 439 H GLY 60 H GLY 60 12.875 8.223 -3.529 440 HA2 GLY 60 1HA GLY 60 14.712 7.139 -2.637 441 HA3 GLY 60 2HA GLY 60 14.730 8.545 -1.583 442 H ALA 61 H ALA 61 13.825 5.192 -1.890 443 HA ALA 61 HA ALA 61 13.355 3.577 -0.357 444 HB1 ALA 61 1HB ALA 61 14.488 5.354 1.776 445 HB2 ALA 61 2HB ALA 61 14.553 3.596 1.643 446 HB3 ALA 61 3HB ALA 61 15.524 4.598 0.565 447 H MET 62 H MET 62 11.161 4.937 -0.954 448 HA MET 62 HA MET 62 9.556 4.677 1.376 449 HB2 MET 62 1HB MET 62 10.722 7.029 1.490 450 HB3 MET 62 2HB MET 62 9.499 7.471 0.306 451 HG2 MET 62 1HG MET 62 7.777 6.610 1.919 452 HG3 MET 62 2HG MET 62 9.072 6.477 3.107 453 HE1 MET 62 1HE MET 62 8.824 7.664 4.748 454 HE2 MET 62 2HE MET 62 9.419 9.324 4.778 455 HE3 MET 62 3HE MET 62 7.686 9.006 4.864 456 H LEU 63 H LEU 63 7.950 3.585 0.447 457 HA LEU 63 HA LEU 63 7.033 4.323 -2.223 458 HB2 LEU 63 1HB LEU 63 6.398 1.989 -0.429 459 HB3 LEU 63 2HB LEU 63 5.640 2.253 -1.998 460 HG LEU 63 HG LEU 63 7.271 0.724 -2.527 461 HD11 LEU 63 1HD1 LEU 63 8.771 1.798 -3.918 462 HD12 LEU 63 2HD1 LEU 63 9.014 3.137 -2.797 463 HD13 LEU 63 3HD1 LEU 63 7.512 3.016 -3.712 464 HD21 LEU 63 1HD2 LEU 63 8.352 0.435 -0.453 465 HD22 LEU 63 2HD2 LEU 63 8.968 2.088 -0.453 466 HD23 LEU 63 3HD2 LEU 63 9.619 0.904 -1.587 467 H GLU 64 H GLU 64 4.802 4.673 -2.695 468 HA GLU 64 HA GLU 64 3.015 5.212 -0.462 469 HB2 GLU 64 1HB GLU 64 4.273 7.324 -0.844 470 HB3 GLU 64 2HB GLU 64 3.674 7.348 -2.497 471 HG2 GLU 64 1HG GLU 64 1.347 7.351 -1.517 472 HG3 GLU 64 2HG GLU 64 2.106 7.656 0.044 473 H LEU 65 H LEU 65 1.345 3.974 -1.030 474 HA LEU 65 HA LEU 65 0.449 4.007 -3.831 475 HB2 LEU 65 1HB LEU 65 0.850 1.794 -3.297 476 HB3 LEU 65 2HB LEU 65 0.280 1.985 -1.641 477 HG LEU 65 HG LEU 65 -2.050 2.276 -2.702 478 HD11 LEU 65 1HD1 LEU 65 -0.402 1.639 -5.030 479 HD12 LEU 65 2HD1 LEU 65 -2.003 2.373 -4.935 480 HD13 LEU 65 3HD1 LEU 65 -1.832 0.619 -4.859 481 HD21 LEU 65 1HD2 LEU 65 -0.896 -0.468 -3.037 482 HD22 LEU 65 2HD2 LEU 65 -2.479 0.008 -2.422 483 HD23 LEU 65 3HD2 LEU 65 -1.036 0.270 -1.441 484 H VAL 66 H VAL 66 -1.160 5.379 -4.187 485 HA VAL 66 HA VAL 66 -3.084 5.932 -2.044 486 HB VAL 66 HB VAL 66 -2.643 7.397 -4.650 487 HG11 VAL 66 1HG1 VAL 66 -4.732 8.115 -4.241 488 HG12 VAL 66 2HG1 VAL 66 -4.697 7.576 -2.561 489 HG13 VAL 66 3HG1 VAL 66 -3.962 9.115 -3.011 490 HG21 VAL 66 1HG2 VAL 66 -1.125 8.688 -3.637 491 HG22 VAL 66 2HG2 VAL 66 -2.081 8.805 -2.159 492 HG23 VAL 66 3HG2 VAL 66 -1.032 7.412 -2.423 493 H VAL 67 H VAL 67 -5.083 5.145 -2.109 494 HA VAL 67 HA VAL 67 -6.070 4.050 -4.663 495 HB VAL 67 HB VAL 67 -6.688 3.088 -1.865 496 HG11 VAL 67 1HG1 VAL 67 -8.464 2.990 -3.807 497 HG12 VAL 67 2HG1 VAL 67 -7.493 1.608 -4.320 498 HG13 VAL 67 3HG1 VAL 67 -8.229 1.624 -2.716 499 HG21 VAL 67 1HG2 VAL 67 -5.602 0.969 -2.829 500 HG22 VAL 67 2HG2 VAL 67 -4.930 2.040 -4.058 501 HG23 VAL 67 3HG2 VAL 67 -4.545 2.300 -2.357 502 H ARG 68 H ARG 68 -7.475 5.484 -5.463 503 HA ARG 68 HA ARG 68 -9.106 7.142 -3.769 504 HB2 ARG 68 1HB ARG 68 -8.985 6.778 -6.764 505 HB3 ARG 68 2HB ARG 68 -10.078 7.904 -5.969 506 HG2 ARG 68 1HG ARG 68 -7.108 8.001 -5.553 507 HG3 ARG 68 2HG ARG 68 -7.906 8.843 -6.883 508 HD2 ARG 68 1HD ARG 68 -9.400 9.892 -5.111 509 HD3 ARG 68 2HD ARG 68 -8.252 9.269 -3.927 510 HE ARG 68 HE ARG 68 -6.685 10.627 -5.669 511 HH11 ARG 68 2HH1 ARG 68 -9.546 11.448 -3.865 512 HH12 ARG 68 1HH1 ARG 68 -9.132 13.124 -3.719 513 HH21 ARG 68 2HH2 ARG 68 -6.128 12.832 -5.485 514 HH22 ARG 68 1HH2 ARG 68 -7.188 13.910 -4.642 515 H ASN 69 H ASN 69 -11.432 7.214 -3.840 516 HA ASN 69 HA ASN 69 -13.507 6.297 -3.681 517 HB2 ASN 69 1HB ASN 69 -12.339 4.855 -6.017 518 HB3 ASN 69 2HB ASN 69 -13.837 4.236 -5.328 519 HD21 ASN 69 1HD2 ASN 69 -14.218 4.926 -7.738 520 HD22 ASN 69 2HD2 ASN 69 -14.935 6.487 -7.921 521 H LEU 70 H LEU 70 -12.022 5.603 -1.636 522 HA LEU 70 HA LEU 70 -11.444 2.903 -1.217 523 HB2 LEU 70 1HB LEU 70 -12.021 5.223 0.563 524 HB3 LEU 70 2HB LEU 70 -11.946 3.608 1.265 525 HG LEU 70 HG LEU 70 -9.706 4.863 -0.317 526 HD11 LEU 70 1HD1 LEU 70 -8.673 4.949 2.051 527 HD12 LEU 70 2HD1 LEU 70 -10.347 4.914 2.605 528 HD13 LEU 70 3HD1 LEU 70 -9.792 6.220 1.557 529 HD21 LEU 70 1HD2 LEU 70 -10.166 2.229 0.309 530 HD22 LEU 70 2HD2 LEU 70 -9.114 2.766 1.619 531 HD23 LEU 70 3HD2 LEU 70 -8.596 2.943 -0.059 532 H ARG 71 H ARG 71 -12.573 1.396 0.240 533 HA ARG 71 HA ARG 71 -15.359 1.704 0.759 534 HB2 ARG 71 1HB ARG 71 -16.036 -0.240 -0.738 535 HB3 ARG 71 2HB ARG 71 -15.726 1.295 -1.537 536 HG2 ARG 71 1HG ARG 71 -13.496 -0.656 -1.306 537 HG3 ARG 71 2HG ARG 71 -14.774 -0.960 -2.484 538 HD2 ARG 71 1HD ARG 71 -14.375 1.486 -3.205 539 HD3 ARG 71 2HD ARG 71 -12.851 1.333 -2.332 540 HE ARG 71 HE ARG 71 -12.051 0.179 -4.118 541 HH11 ARG 71 2HH1 ARG 71 -15.514 -0.168 -4.061 542 HH12 ARG 71 1HH1 ARG 71 -15.576 -1.094 -5.524 543 HH21 ARG 71 2HH2 ARG 71 -12.119 -1.040 -6.045 544 HH22 ARG 71 1HH2 ARG 71 -13.644 -1.590 -6.651 545 HA PRO 72 HA PRO 72 -14.428 -1.435 3.685 546 HB2 PRO 72 1HB PRO 72 -16.889 -2.512 4.078 547 HB3 PRO 72 2HB PRO 72 -16.430 -0.918 4.687 548 HG2 PRO 72 1HG PRO 72 -17.992 -1.631 2.235 549 HG3 PRO 72 2HG PRO 72 -18.294 -0.346 3.419 550 HD2 PRO 72 1HD PRO 72 -17.125 0.127 1.023 551 HD3 PRO 72 2HD PRO 72 -16.729 1.061 2.480 552 H GLN 73 H GLN 73 -15.666 -2.192 0.587 553 HA GLN 73 HA GLN 73 -15.605 -5.060 0.946 554 HB2 GLN 73 1HB GLN 73 -15.912 -3.406 -1.566 555 HB3 GLN 73 2HB GLN 73 -16.135 -5.147 -1.456 556 HG2 GLN 73 1HG GLN 73 -17.759 -3.180 0.130 557 HG3 GLN 73 2HG GLN 73 -18.231 -3.767 -1.464 558 HE21 GLN 73 1HE2 GLN 73 -17.861 -4.547 1.887 559 HE22 GLN 73 2HE2 GLN 73 -18.678 -6.068 1.839 560 H ASP 74 H ASP 74 -13.314 -2.687 0.460 561 HA ASP 74 HA ASP 74 -11.538 -4.310 -1.177 562 HB2 ASP 74 1HB ASP 74 -11.777 -1.768 -1.372 563 HB3 ASP 74 2HB ASP 74 -10.856 -1.679 0.126 564 H SER 75 H SER 75 -12.040 -3.440 2.149 565 HA SER 75 HA SER 75 -9.673 -3.783 3.396 566 HB2 SER 75 1HB SER 75 -12.394 -4.828 4.168 567 HB3 SER 75 2HB SER 75 -10.998 -4.998 5.231 568 HG SER 75 HG SER 75 -11.984 -2.547 4.190 569 H GLY 76 H GLY 76 -8.138 -5.155 2.680 570 HA2 GLY 76 1HA GLY 76 -8.718 -8.025 2.931 571 HA3 GLY 76 2HA GLY 76 -8.011 -7.433 1.434 572 H ARG 77 H ARG 77 -5.986 -8.187 1.426 573 HA ARG 77 HA ARG 77 -4.292 -7.536 3.742 574 HB2 ARG 77 1HB ARG 77 -4.902 -9.996 3.560 575 HB3 ARG 77 2HB ARG 77 -3.960 -10.027 2.076 576 HG2 ARG 77 1HG ARG 77 -1.990 -9.258 3.373 577 HG3 ARG 77 2HG ARG 77 -2.956 -9.403 4.843 578 HD2 ARG 77 1HD ARG 77 -1.710 -11.404 4.674 579 HD3 ARG 77 2HD ARG 77 -3.358 -11.809 4.194 580 HE ARG 77 HE ARG 77 -1.795 -11.127 1.932 581 HH11 ARG 77 2HH1 ARG 77 -2.317 -13.673 4.248 582 HH12 ARG 77 1HH1 ARG 77 -1.806 -14.932 3.174 583 HH21 ARG 77 2HH2 ARG 77 -1.120 -12.776 0.508 584 HH22 ARG 77 1HH2 ARG 77 -1.124 -14.421 1.047 585 H TYR 78 H TYR 78 -3.051 -5.921 3.020 586 HA TYR 78 HA TYR 78 -2.038 -5.985 0.279 587 HB2 TYR 78 1HB TYR 78 -1.826 -3.806 2.367 588 HB3 TYR 78 2HB TYR 78 -1.358 -3.668 0.676 589 HD1 TYR 78 1HD TYR 78 -3.041 -3.478 -1.071 590 HD2 TYR 78 2HD TYR 78 -4.164 -3.786 3.021 591 HE1 TYR 78 1HE TYR 78 -5.315 -2.736 -1.645 592 HE2 TYR 78 2HE TYR 78 -6.441 -3.046 2.458 593 HH TYR 78 HH TYR 78 -7.245 -1.585 -0.398 594 H SER 79 H SER 79 -0.087 -6.746 -0.152 595 HA SER 79 HA SER 79 2.015 -6.526 1.890 596 HB2 SER 79 1HB SER 79 2.818 -8.805 1.189 597 HB3 SER 79 2HB SER 79 1.271 -8.810 2.036 598 HG SER 79 HG SER 79 0.302 -9.477 0.278 599 H CYS 80 H CYS 80 3.766 -5.554 1.127 600 HA CYS 80 HA CYS 80 4.063 -5.224 -1.757 601 HB2 CYS 80 1HB CYS 80 4.191 -3.212 -0.371 602 HB3 CYS 80 2HB CYS 80 5.521 -3.909 0.545 603 HG CYS 80 HG CYS 80 5.546 -2.702 -2.635 604 H SER 81 H SER 81 5.277 -6.616 -2.837 605 HA SER 81 HA SER 81 7.258 -8.226 -1.457 606 HB2 SER 81 1HB SER 81 5.831 -9.375 -3.033 607 HB3 SER 81 2HB SER 81 6.266 -8.247 -4.316 608 HG SER 81 HG SER 81 7.949 -10.138 -3.038 609 H PHE 82 H PHE 82 9.365 -7.816 -1.416 610 HA PHE 82 HA PHE 82 10.729 -6.537 -3.591 611 HB2 PHE 82 1HB PHE 82 10.133 -4.463 -2.758 612 HB3 PHE 82 2HB PHE 82 10.089 -5.029 -1.092 613 HD1 PHE 82 1HD PHE 82 12.564 -4.620 -3.856 614 HD2 PHE 82 2HD PHE 82 11.744 -4.289 0.307 615 HE1 PHE 82 1HE PHE 82 14.815 -3.696 -3.489 616 HE2 PHE 82 2HE PHE 82 13.992 -3.363 0.680 617 HZ PHE 82 HZ PHE 82 15.531 -3.065 -1.219 618 H GLY 83 H GLY 83 12.879 -7.014 -3.600 619 HA2 GLY 83 1HA GLY 83 14.841 -8.041 -2.997 620 HA3 GLY 83 2HA GLY 83 14.451 -7.586 -1.345 621 H ASP 84 H ASP 84 14.137 -9.185 0.050 622 HA ASP 84 HA ASP 84 13.364 -11.824 -1.010 623 HB2 ASP 84 1HB ASP 84 14.747 -12.831 0.791 624 HB3 ASP 84 2HB ASP 84 15.698 -11.896 -0.359 625 H GLN 85 H GLN 85 13.081 -9.471 1.560 626 HA GLN 85 HA GLN 85 11.329 -11.116 3.155 627 HB2 GLN 85 1HB GLN 85 12.238 -8.251 3.344 628 HB3 GLN 85 2HB GLN 85 11.019 -8.914 4.425 629 HG2 GLN 85 1HG GLN 85 12.826 -10.761 4.836 630 HG3 GLN 85 2HG GLN 85 13.927 -9.516 4.248 631 HE21 GLN 85 1HE2 GLN 85 12.728 -10.825 6.950 632 HE22 GLN 85 2HE2 GLN 85 12.821 -9.474 8.023 633 H THR 86 H THR 86 9.135 -10.453 3.719 634 HA THR 86 HA THR 86 7.775 -8.853 1.673 635 HB THR 86 HB THR 86 6.717 -11.541 2.554 636 HG1 THR 86 1HG THR 86 8.253 -10.796 0.285 637 HG21 THR 86 1HG2 THR 86 5.720 -10.650 0.046 638 HG22 THR 86 2HG2 THR 86 5.561 -9.324 1.198 639 HG23 THR 86 3HG2 THR 86 4.838 -10.892 1.553 640 H THR 87 H THR 87 6.465 -7.416 2.578 641 HA THR 87 HA THR 87 5.713 -7.760 5.386 642 HB THR 87 HB THR 87 6.805 -5.648 4.823 643 HG1 THR 87 1HG THR 87 4.820 -4.279 5.435 644 HG21 THR 87 1HG2 THR 87 5.326 -5.793 2.477 645 HG22 THR 87 2HG2 THR 87 6.328 -4.441 3.003 646 HG23 THR 87 3HG2 THR 87 4.602 -4.451 3.363 647 H SER 88 H SER 88 3.537 -7.145 6.068 648 HA SER 88 HA SER 88 1.450 -7.187 4.054 649 HB2 SER 88 1HB SER 88 0.342 -9.151 4.819 650 HB3 SER 88 2HB SER 88 2.032 -9.604 4.599 651 HG SER 88 HG SER 88 2.060 -10.123 6.623 652 H ALA 89 H ALA 89 -0.259 -6.001 4.664 653 HA ALA 89 HA ALA 89 -0.749 -5.528 7.508 654 HB1 ALA 89 1HB ALA 89 -0.085 -3.414 5.490 655 HB2 ALA 89 2HB ALA 89 -1.071 -3.048 6.906 656 HB3 ALA 89 3HB ALA 89 0.574 -3.653 7.109 657 H THR 90 H THR 90 -2.811 -4.125 7.737 658 HA THR 90 HA THR 90 -4.747 -4.804 5.631 659 HB THR 90 HB THR 90 -5.293 -5.135 8.586 660 HG1 THR 90 1HG THR 90 -5.433 -7.442 7.779 661 HG21 THR 90 1HG2 THR 90 -7.417 -5.895 8.009 662 HG22 THR 90 2HG2 THR 90 -6.958 -6.207 6.335 663 HG23 THR 90 3HG2 THR 90 -7.169 -4.549 6.897 664 H LEU 91 H LEU 91 -6.393 -3.340 5.314 665 HA LEU 91 HA LEU 91 -6.041 -0.759 6.655 666 HB2 LEU 91 1HB LEU 91 -5.933 -0.811 4.203 667 HB3 LEU 91 2HB LEU 91 -7.571 -1.460 4.153 668 HG LEU 91 HG LEU 91 -8.401 0.640 5.151 669 HD11 LEU 91 1HD1 LEU 91 -6.592 1.478 6.381 670 HD12 LEU 91 2HD1 LEU 91 -6.772 2.595 5.029 671 HD13 LEU 91 3HD1 LEU 91 -5.495 1.379 5.003 672 HD21 LEU 91 1HD2 LEU 91 -7.028 1.824 2.921 673 HD22 LEU 91 2HD2 LEU 91 -8.721 1.356 3.074 674 HD23 LEU 91 3HD2 LEU 91 -7.525 0.176 2.535 675 H THR 92 H THR 92 -7.689 0.289 7.706 676 HA THR 92 HA THR 92 -10.059 -1.352 8.298 677 HB THR 92 HB THR 92 -8.830 0.890 9.913 678 HG1 THR 92 1HG THR 92 -8.665 -1.907 9.985 679 HG21 THR 92 1HG2 THR 92 -10.597 0.844 11.323 680 HG22 THR 92 2HG2 THR 92 -10.848 -0.890 11.117 681 HG23 THR 92 3HG2 THR 92 -11.457 0.240 9.908 682 H VAL 93 H VAL 93 -11.563 -0.755 6.821 683 HA VAL 93 HA VAL 93 -12.139 2.121 6.545 684 HB VAL 93 HB VAL 93 -12.898 -0.117 4.662 685 HG11 VAL 93 1HG1 VAL 93 -13.140 2.158 3.235 686 HG12 VAL 93 2HG1 VAL 93 -14.476 1.395 4.100 687 HG13 VAL 93 3HG1 VAL 93 -13.601 2.739 4.835 688 HG21 VAL 93 1HG2 VAL 93 -10.407 1.016 4.999 689 HG22 VAL 93 2HG2 VAL 93 -10.978 0.175 3.558 690 HG23 VAL 93 3HG2 VAL 93 -11.095 1.932 3.658 691 H THR 94 H THR 94 -13.891 2.825 7.552 692 HA THR 94 HA THR 94 -15.829 0.974 8.626 693 HB THR 94 HB THR 94 -15.856 3.996 8.730 694 HG1 THR 94 1HG THR 94 -15.033 3.481 10.939 695 HG21 THR 94 1HG2 THR 94 -17.235 3.544 10.794 696 HG22 THR 94 2HG2 THR 94 -17.341 1.866 10.262 697 HG23 THR 94 3HG2 THR 94 -18.018 3.152 9.264 698 H ALA 95 H ALA 95 -17.815 0.545 7.863 699 HA ALA 95 HA ALA 95 -18.518 1.288 5.221 700 HB1 ALA 95 1HB ALA 95 -20.815 0.330 6.567 701 HB2 ALA 95 2HB ALA 95 -19.762 -0.533 5.445 702 HB3 ALA 95 3HB ALA 95 -19.425 -0.570 7.176 703 H LEU 96 H LEU 96 -19.070 3.313 4.718 704 HA LEU 96 HA LEU 96 -19.911 5.362 6.263 705 HB2 LEU 96 1HB LEU 96 -20.465 6.468 4.353 706 HB3 LEU 96 2HB LEU 96 -19.527 5.141 3.672 707 HG LEU 96 HG LEU 96 -21.748 3.967 3.286 708 HD11 LEU 96 1HD1 LEU 96 -23.635 4.907 3.965 709 HD12 LEU 96 2HD1 LEU 96 -23.273 6.370 3.051 710 HD13 LEU 96 3HD1 LEU 96 -22.699 6.202 4.710 711 HD21 LEU 96 1HD2 LEU 96 -20.599 6.263 1.849 712 HD22 LEU 96 2HD2 LEU 96 -22.247 5.830 1.395 713 HD23 LEU 96 3HD2 LEU 96 -20.957 4.631 1.285 714 HA PRO 97 HA PRO 97 -23.880 4.392 7.899 715 HB2 PRO 97 1HB PRO 97 -24.779 6.908 8.378 716 HB3 PRO 97 2HB PRO 97 -23.535 6.129 9.363 717 HG2 PRO 97 1HG PRO 97 -23.225 8.112 7.143 718 HG3 PRO 97 2HG PRO 97 -22.390 8.043 8.706 719 HD2 PRO 97 1HD PRO 97 -21.256 7.166 6.409 720 HD3 PRO 97 2HD PRO 97 -20.911 6.428 7.986 721 H SER 98 H SER 98 -24.885 3.510 6.048 722 HA SER 98 HA SER 98 -25.774 4.594 3.767 723 HB2 SER 98 1HB SER 98 -27.496 2.848 5.543 724 HB3 SER 98 2HB SER 98 -27.667 3.046 3.799 725 HG SER 98 HG SER 98 -26.094 1.356 5.130 726 H GLY 99 H GLY 99 -26.847 6.369 3.229 727 HA2 GLY 99 1HA GLY 99 -29.254 7.135 4.637 728 HA3 GLY 99 2HA GLY 99 -27.920 8.262 4.831 729 HA PRO 100 HA PRO 100 -30.271 9.620 1.112 730 HB2 PRO 100 1HB PRO 100 -30.034 12.267 1.662 731 HB3 PRO 100 2HB PRO 100 -31.315 11.256 2.340 732 HG2 PRO 100 1HG PRO 100 -28.743 12.145 3.588 733 HG3 PRO 100 2HG PRO 100 -30.366 12.076 4.299 734 HD2 PRO 100 1HD PRO 100 -28.491 10.178 4.761 735 HD3 PRO 100 2HD PRO 100 -30.228 9.812 4.708 736 H SER 101 H SER 101 -27.133 9.587 2.105 737 HA SER 101 HA SER 101 -25.957 11.494 0.344 738 HB2 SER 101 1HB SER 101 -24.849 10.582 2.401 739 HB3 SER 101 2HB SER 101 -24.653 9.047 1.556 740 HG SER 101 HG SER 101 -23.549 11.559 0.835 741 H SER 102 H SER 102 -26.891 11.100 -1.688 742 HA SER 102 HA SER 102 -27.105 8.721 -3.047 743 HB2 SER 102 1HB SER 102 -27.784 11.154 -3.728 744 HB3 SER 102 2HB SER 102 -26.208 11.178 -4.519 745 HG SER 102 HG SER 102 -26.961 9.112 -5.499 746 H GLY 103 H GLY 103 -24.306 10.917 -2.994 747 HA2 GLY 103 1HA GLY 103 -22.206 9.364 -2.783 748 HA3 GLY 103 2HA GLY 103 -22.715 8.896 -4.399 Start of MODEL 5 1 H1 GLY 1 H GLY 1 32.600 2.171 -14.237 2 HA2 GLY 1 1HA GLY 1 30.276 2.513 -15.323 3 HA3 GLY 1 2HA GLY 1 30.534 1.016 -14.440 4 H SER 2 H SER 2 28.547 0.643 -13.618 5 HA SER 2 HA SER 2 27.193 2.808 -12.180 6 HB2 SER 2 1HB SER 2 25.204 1.401 -12.261 7 HB3 SER 2 2HB SER 2 25.896 1.545 -13.877 8 HG SER 2 HG SER 2 25.680 -0.571 -13.759 9 H SER 3 H SER 3 27.372 2.933 -10.053 10 HA SER 3 HA SER 3 28.487 0.714 -8.553 11 HB2 SER 3 1HB SER 3 27.694 3.486 -7.628 12 HB3 SER 3 2HB SER 3 28.608 2.306 -6.689 13 HG SER 3 HG SER 3 29.461 3.302 -9.202 14 H GLY 4 H GLY 4 27.510 0.288 -6.327 15 HA2 GLY 4 1HA GLY 4 24.854 0.755 -5.680 16 HA3 GLY 4 2HA GLY 4 24.864 -0.681 -6.692 17 H SER 5 H SER 5 23.985 -0.688 -4.038 18 HA SER 5 HA SER 5 26.034 -1.582 -2.267 19 HB2 SER 5 1HB SER 5 24.202 -2.170 -0.760 20 HB3 SER 5 2HB SER 5 23.917 -0.580 -1.466 21 HG SER 5 HG SER 5 22.160 -2.326 -1.427 22 H SER 6 H SER 6 23.565 -3.222 -4.213 23 HA SER 6 HA SER 6 23.378 -5.366 -4.948 24 HB2 SER 6 1HB SER 6 26.333 -5.375 -4.304 25 HB3 SER 6 2HB SER 6 25.504 -6.711 -5.102 26 HG SER 6 HG SER 6 26.418 -5.326 -6.638 27 H GLY 7 H GLY 7 22.572 -4.863 -2.337 28 HA2 GLY 7 1HA GLY 7 23.069 -7.498 -1.126 29 HA3 GLY 7 2HA GLY 7 23.233 -6.053 -0.140 30 HA PRO 8 HA PRO 8 18.811 -7.711 -0.112 31 HB2 PRO 8 1HB PRO 8 18.739 -8.410 2.511 32 HB3 PRO 8 2HB PRO 8 19.249 -9.521 1.234 33 HG2 PRO 8 1HG PRO 8 20.921 -7.889 3.106 34 HG3 PRO 8 2HG PRO 8 21.133 -9.574 2.596 35 HD2 PRO 8 1HD PRO 8 22.563 -7.538 1.528 36 HD3 PRO 8 2HD PRO 8 22.108 -8.977 0.594 37 H VAL 9 H VAL 9 17.062 -6.568 0.693 38 HA VAL 9 HA VAL 9 17.732 -4.134 2.215 39 HB VAL 9 HB VAL 9 15.387 -4.525 0.352 40 HG11 VAL 9 1HG1 VAL 9 14.943 -2.877 2.054 41 HG12 VAL 9 2HG1 VAL 9 16.490 -2.087 1.743 42 HG13 VAL 9 3HG1 VAL 9 15.222 -2.059 0.517 43 HG21 VAL 9 1HG2 VAL 9 17.813 -4.489 -0.610 44 HG22 VAL 9 2HG2 VAL 9 16.552 -3.511 -1.361 45 HG23 VAL 9 3HG2 VAL 9 17.716 -2.761 -0.269 46 H ARG 10 H ARG 10 17.010 -4.098 4.230 47 HA ARG 10 HA ARG 10 14.956 -5.958 5.085 48 HB2 ARG 10 1HB ARG 10 16.646 -3.973 6.614 49 HB3 ARG 10 2HB ARG 10 15.474 -5.052 7.359 50 HG2 ARG 10 1HG ARG 10 17.667 -6.151 5.651 51 HG3 ARG 10 2HG ARG 10 17.969 -5.712 7.333 52 HD2 ARG 10 1HD ARG 10 16.274 -7.239 8.091 53 HD3 ARG 10 2HD ARG 10 15.782 -7.580 6.432 54 HE ARG 10 HE ARG 10 18.487 -8.219 6.676 55 HH11 ARG 10 2HH1 ARG 10 15.407 -9.291 7.896 56 HH12 ARG 10 1HH1 ARG 10 15.915 -10.934 8.104 57 HH21 ARG 10 2HH2 ARG 10 19.168 -10.379 6.947 58 HH22 ARG 10 1HH2 ARG 10 18.055 -11.552 7.565 59 H PHE 11 H PHE 11 13.198 -5.190 6.533 60 HA PHE 11 HA PHE 11 11.968 -2.802 5.374 61 HB2 PHE 11 1HB PHE 11 10.946 -5.283 6.658 62 HB3 PHE 11 2HB PHE 11 9.985 -3.821 6.851 63 HD1 PHE 11 2HD PHE 11 9.262 -2.581 4.765 64 HD2 PHE 11 1HD PHE 11 10.860 -6.525 4.687 65 HE1 PHE 11 2HE PHE 11 8.283 -2.930 2.535 66 HE2 PHE 11 1HE PHE 11 9.885 -6.880 2.456 67 HZ PHE 11 HZ PHE 11 8.593 -5.082 1.378 68 H GLN 12 H GLN 12 13.092 -1.208 6.529 69 HA GLN 12 HA GLN 12 13.391 -1.153 9.322 70 HB2 GLN 12 1HB GLN 12 14.686 0.264 7.767 71 HB3 GLN 12 2HB GLN 12 13.229 1.182 7.409 72 HG2 GLN 12 1HG GLN 12 14.798 2.248 9.037 73 HG3 GLN 12 2HG GLN 12 13.136 2.068 9.597 74 HE21 GLN 12 1HE2 GLN 12 12.727 0.893 11.383 75 HE22 GLN 12 2HE2 GLN 12 13.934 0.089 12.321 76 H GLU 13 H GLU 13 11.062 0.615 7.276 77 HA GLU 13 HA GLU 13 9.208 0.613 9.563 78 HB2 GLU 13 1HB GLU 13 9.826 2.875 7.665 79 HB3 GLU 13 2HB GLU 13 8.398 2.850 8.690 80 HG2 GLU 13 1HG GLU 13 11.113 2.508 9.885 81 HG3 GLU 13 2HG GLU 13 10.513 4.113 9.471 82 H ALA 14 H ALA 14 8.624 -1.401 8.264 83 HA ALA 14 HA ALA 14 7.419 -1.276 5.749 84 HB1 ALA 14 1HB ALA 14 6.178 -3.214 7.533 85 HB2 ALA 14 2HB ALA 14 7.095 -3.465 6.047 86 HB3 ALA 14 3HB ALA 14 7.941 -3.257 7.581 87 H LEU 15 H LEU 15 4.954 -2.026 5.599 88 HA LEU 15 HA LEU 15 3.414 0.244 6.195 89 HB2 LEU 15 1HB LEU 15 2.524 -2.548 5.489 90 HB3 LEU 15 2HB LEU 15 1.487 -1.123 5.482 91 HG LEU 15 HG LEU 15 3.938 -1.272 3.755 92 HD11 LEU 15 1HD1 LEU 15 2.762 -3.227 3.121 93 HD12 LEU 15 2HD1 LEU 15 2.360 -1.990 1.931 94 HD13 LEU 15 3HD1 LEU 15 1.205 -2.401 3.199 95 HD21 LEU 15 1HD2 LEU 15 2.191 0.161 2.378 96 HD22 LEU 15 2HD2 LEU 15 3.190 0.879 3.642 97 HD23 LEU 15 3HD2 LEU 15 1.517 0.435 3.984 98 H LYS 16 H LYS 16 1.258 0.081 7.388 99 HA LYS 16 HA LYS 16 1.273 -1.647 9.716 100 HB2 LYS 16 1HB LYS 16 1.767 1.305 9.855 101 HB3 LYS 16 2HB LYS 16 0.892 0.507 11.155 102 HG2 LYS 16 1HG LYS 16 2.843 -1.080 11.332 103 HG3 LYS 16 2HG LYS 16 3.710 0.004 10.242 104 HD2 LYS 16 1HD LYS 16 4.372 0.804 12.300 105 HD3 LYS 16 2HD LYS 16 2.981 1.837 11.959 106 HE2 LYS 16 1HE LYS 16 1.616 0.077 13.232 107 HE3 LYS 16 2HE LYS 16 3.171 -0.513 13.818 108 HZ1 LYS 16 1HZ LYS 16 2.436 0.988 15.429 109 HZ2 LYS 16 2HZ LYS 16 1.920 2.125 14.289 110 HZ3 LYS 16 3HZ LYS 16 3.573 1.868 14.539 111 H ASP 17 H ASP 17 -0.745 -2.085 10.423 112 HA ASP 17 HA ASP 17 -2.982 -1.774 8.958 113 HB2 ASP 17 1HB ASP 17 -4.302 -2.179 10.961 114 HB3 ASP 17 2HB ASP 17 -2.833 -3.149 11.012 115 H LEU 18 H LEU 18 -4.128 -0.121 8.226 116 HA LEU 18 HA LEU 18 -3.994 2.436 9.678 117 HB2 LEU 18 1HB LEU 18 -4.769 2.036 6.798 118 HB3 LEU 18 2HB LEU 18 -4.390 3.553 7.611 119 HG LEU 18 HG LEU 18 -2.042 2.369 7.935 120 HD11 LEU 18 1HD1 LEU 18 -1.433 0.985 6.068 121 HD12 LEU 18 2HD1 LEU 18 -3.046 1.142 5.373 122 HD13 LEU 18 3HD1 LEU 18 -2.820 0.264 6.886 123 HD21 LEU 18 1HD2 LEU 18 -1.587 4.195 6.755 124 HD22 LEU 18 2HD2 LEU 18 -3.194 4.190 6.028 125 HD23 LEU 18 3HD2 LEU 18 -1.889 3.260 5.290 126 H GLU 19 H GLU 19 -5.959 3.822 9.466 127 HA GLU 19 HA GLU 19 -8.438 2.260 9.277 128 HB2 GLU 19 1HB GLU 19 -7.494 2.708 11.692 129 HB3 GLU 19 2HB GLU 19 -8.163 4.314 11.435 130 HG2 GLU 19 1HG GLU 19 -10.363 3.344 11.038 131 HG3 GLU 19 2HG GLU 19 -9.697 1.729 11.273 132 H VAL 20 H VAL 20 -9.861 3.201 7.981 133 HA VAL 20 HA VAL 20 -10.084 6.102 7.890 134 HB VAL 20 HB VAL 20 -9.917 4.724 5.245 135 HG11 VAL 20 1HG1 VAL 20 -9.524 6.859 4.402 136 HG12 VAL 20 2HG1 VAL 20 -10.686 7.140 5.700 137 HG13 VAL 20 3HG1 VAL 20 -8.974 7.478 5.959 138 HG21 VAL 20 1HG2 VAL 20 -7.531 5.724 6.797 139 HG22 VAL 20 2HG2 VAL 20 -7.869 4.044 6.380 140 HG23 VAL 20 3HG2 VAL 20 -7.520 5.215 5.108 141 H LEU 21 H LEU 21 -12.055 6.846 6.991 142 HA LEU 21 HA LEU 21 -14.170 4.829 7.067 143 HB2 LEU 21 1HB LEU 21 -14.135 7.053 8.400 144 HB3 LEU 21 2HB LEU 21 -14.628 7.780 6.872 145 HG LEU 21 HG LEU 21 -16.541 6.020 6.952 146 HD11 LEU 21 1HD1 LEU 21 -17.095 5.063 8.956 147 HD12 LEU 21 2HD1 LEU 21 -16.235 6.276 9.902 148 HD13 LEU 21 3HD1 LEU 21 -15.335 5.017 9.056 149 HD21 LEU 21 1HD2 LEU 21 -17.605 7.956 7.179 150 HD22 LEU 21 2HD2 LEU 21 -16.228 8.679 8.013 151 HD23 LEU 21 3HD2 LEU 21 -17.440 7.778 8.926 152 H GLU 22 H GLU 22 -15.576 4.455 5.397 153 HA GLU 22 HA GLU 22 -14.685 4.737 2.782 154 HB2 GLU 22 1HB GLU 22 -16.265 3.070 3.023 155 HB3 GLU 22 2HB GLU 22 -17.315 4.063 4.023 156 HG2 GLU 22 1HG GLU 22 -17.897 5.390 2.019 157 HG3 GLU 22 2HG GLU 22 -16.932 4.281 1.047 158 H GLY 23 H GLY 23 -14.665 6.370 1.383 159 HA2 GLY 23 1HA GLY 23 -16.193 8.113 0.366 160 HA3 GLY 23 2HA GLY 23 -16.323 8.733 2.006 161 H GLY 24 H GLY 24 -13.263 7.470 1.107 162 HA2 GLY 24 1HA GLY 24 -12.243 10.032 0.181 163 HA3 GLY 24 2HA GLY 24 -11.670 9.511 1.758 164 H ALA 25 H ALA 25 -9.559 9.133 1.291 165 HA ALA 25 HA ALA 25 -9.027 6.875 -0.505 166 HB1 ALA 25 1HB ALA 25 -8.405 9.492 -1.180 167 HB2 ALA 25 2HB ALA 25 -6.882 8.814 -0.603 168 HB3 ALA 25 3HB ALA 25 -7.754 8.029 -1.919 169 H ALA 26 H ALA 26 -6.979 5.804 -0.086 170 HA ALA 26 HA ALA 26 -6.070 6.190 2.692 171 HB1 ALA 26 1HB ALA 26 -5.451 3.566 1.817 172 HB2 ALA 26 2HB ALA 26 -6.568 4.066 3.087 173 HB3 ALA 26 3HB ALA 26 -7.142 3.882 1.429 174 H THR 27 H THR 27 -4.034 6.824 2.889 175 HA THR 27 HA THR 27 -2.201 6.437 0.630 176 HB THR 27 HB THR 27 -1.762 8.240 3.010 177 HG1 THR 27 1HG THR 27 -2.414 9.861 1.277 178 HG21 THR 27 1HG2 THR 27 -0.639 8.966 0.414 179 HG22 THR 27 2HG2 THR 27 -0.039 7.425 1.027 180 HG23 THR 27 3HG2 THR 27 0.132 8.887 1.998 181 H LEU 28 H LEU 28 -0.959 4.691 0.789 182 HA LEU 28 HA LEU 28 -0.096 3.779 3.439 183 HB2 LEU 28 1HB LEU 28 -0.170 2.431 0.751 184 HB3 LEU 28 2HB LEU 28 0.626 1.726 2.156 185 HG LEU 28 HG LEU 28 -1.779 2.112 3.225 186 HD11 LEU 28 1HD1 LEU 28 -3.439 2.508 1.809 187 HD12 LEU 28 2HD1 LEU 28 -2.923 1.195 0.752 188 HD13 LEU 28 3HD1 LEU 28 -2.233 2.806 0.557 189 HD21 LEU 28 1HD2 LEU 28 -2.317 -0.228 2.515 190 HD22 LEU 28 2HD2 LEU 28 -0.707 -0.016 3.204 191 HD23 LEU 28 3HD2 LEU 28 -0.908 -0.165 1.457 192 H ARG 29 H ARG 29 1.845 4.387 4.105 193 HA ARG 29 HA ARG 29 3.934 4.888 2.089 194 HB2 ARG 29 1HB ARG 29 3.225 6.249 4.641 195 HB3 ARG 29 2HB ARG 29 4.926 6.169 4.205 196 HG2 ARG 29 1HG ARG 29 4.411 7.243 2.058 197 HG3 ARG 29 2HG ARG 29 2.717 7.357 2.539 198 HD2 ARG 29 1HD ARG 29 4.930 8.531 4.196 199 HD3 ARG 29 2HD ARG 29 4.181 9.423 2.872 200 HE ARG 29 HE ARG 29 2.251 8.379 4.697 201 HH11 ARG 29 2HH1 ARG 29 4.519 10.970 4.182 202 HH12 ARG 29 1HH1 ARG 29 3.665 12.092 5.188 203 HH21 ARG 29 2HH2 ARG 29 1.118 9.847 6.025 204 HH22 ARG 29 1HH2 ARG 29 1.731 11.452 6.237 205 H CYS 30 H CYS 30 6.121 4.319 2.659 206 HA CYS 30 HA CYS 30 6.689 2.714 4.945 207 HB2 CYS 30 1HB CYS 30 7.255 0.644 3.576 208 HB3 CYS 30 2HB CYS 30 5.545 0.954 3.848 209 HG CYS 30 HG CYS 30 4.867 1.525 1.352 210 H VAL 31 H VAL 31 8.843 2.633 5.323 211 HA VAL 31 HA VAL 31 10.597 3.719 3.218 212 HB VAL 31 HB VAL 31 10.895 3.867 6.220 213 HG11 VAL 31 1HG1 VAL 31 12.936 5.034 5.899 214 HG12 VAL 31 2HG1 VAL 31 13.041 3.558 4.938 215 HG13 VAL 31 3HG1 VAL 31 12.701 5.101 4.153 216 HG21 VAL 31 1HG2 VAL 31 9.906 5.857 6.117 217 HG22 VAL 31 2HG2 VAL 31 10.942 6.369 4.786 218 HG23 VAL 31 3HG2 VAL 31 9.457 5.478 4.454 219 H LEU 32 H LEU 32 12.414 2.638 2.643 220 HA LEU 32 HA LEU 32 12.762 -0.038 3.784 221 HB2 LEU 32 1HB LEU 32 13.896 1.136 1.250 222 HB3 LEU 32 2HB LEU 32 14.035 -0.542 1.772 223 HG LEU 32 HG LEU 32 11.393 0.773 1.170 224 HD11 LEU 32 1HD1 LEU 32 13.455 -0.258 -0.645 225 HD12 LEU 32 2HD1 LEU 32 12.108 0.837 -0.955 226 HD13 LEU 32 3HD1 LEU 32 11.836 -0.905 -0.912 227 HD21 LEU 32 1HD2 LEU 32 12.315 -2.057 1.598 228 HD22 LEU 32 2HD2 LEU 32 10.782 -1.666 0.820 229 HD23 LEU 32 3HD2 LEU 32 11.082 -1.158 2.483 230 H SER 33 H SER 33 15.089 -0.837 3.800 231 HA SER 33 HA SER 33 16.583 0.731 5.594 232 HB2 SER 33 1HB SER 33 16.706 -1.755 5.436 233 HB3 SER 33 2HB SER 33 17.579 -1.582 3.913 234 HG SER 33 HG SER 33 19.269 -0.653 4.992 235 H SER 34 H SER 34 16.556 0.541 2.133 236 HA SER 34 HA SER 34 18.326 2.813 1.956 237 HB2 SER 34 1HB SER 34 20.088 1.849 0.761 238 HB3 SER 34 2HB SER 34 19.746 0.629 1.988 239 HG SER 34 HG SER 34 18.230 -0.166 0.184 240 H VAL 35 H VAL 35 18.800 3.092 -0.606 241 HA VAL 35 HA VAL 35 16.163 3.370 -1.761 242 HB VAL 35 HB VAL 35 18.831 4.139 -2.949 243 HG11 VAL 35 1HG1 VAL 35 16.369 5.591 -3.655 244 HG12 VAL 35 2HG1 VAL 35 17.727 5.095 -4.667 245 HG13 VAL 35 3HG1 VAL 35 16.470 3.932 -4.243 246 HG21 VAL 35 1HG2 VAL 35 18.739 5.411 -1.011 247 HG22 VAL 35 2HG2 VAL 35 17.993 6.473 -2.205 248 HG23 VAL 35 3HG2 VAL 35 16.984 5.568 -1.077 249 H ALA 36 H ALA 36 15.500 1.291 -2.281 250 HA ALA 36 HA ALA 36 17.052 -0.041 -4.406 251 HB1 ALA 36 1HB ALA 36 15.082 -1.533 -2.732 252 HB2 ALA 36 2HB ALA 36 16.517 -2.120 -3.573 253 HB3 ALA 36 3HB ALA 36 16.686 -1.184 -2.088 254 H ALA 37 H ALA 37 15.991 -0.737 -6.230 255 HA ALA 37 HA ALA 37 13.189 -0.871 -6.524 256 HB1 ALA 37 1HB ALA 37 12.612 1.239 -6.884 257 HB2 ALA 37 2HB ALA 37 14.290 1.759 -6.723 258 HB3 ALA 37 3HB ALA 37 13.667 1.264 -8.297 259 HA PRO 38 HA PRO 38 11.949 0.062 -8.600 260 HB2 PRO 38 1HB PRO 38 10.374 -1.655 -9.992 261 HB3 PRO 38 2HB PRO 38 11.317 -0.376 -10.765 262 HG2 PRO 38 1HG PRO 38 11.942 -3.291 -10.498 263 HG3 PRO 38 2HG PRO 38 12.139 -2.229 -11.904 264 HD2 PRO 38 1HD PRO 38 14.206 -2.911 -10.294 265 HD3 PRO 38 2HD PRO 38 14.114 -1.340 -11.115 266 H VAL 39 H VAL 39 9.743 -0.802 -7.839 267 HA VAL 39 HA VAL 39 10.206 -2.975 -5.901 268 HB VAL 39 HB VAL 39 9.892 -0.855 -4.767 269 HG11 VAL 39 1HG1 VAL 39 7.405 0.056 -5.037 270 HG12 VAL 39 2HG1 VAL 39 8.733 0.619 -6.053 271 HG13 VAL 39 3HG1 VAL 39 7.621 -0.611 -6.655 272 HG21 VAL 39 1HG2 VAL 39 7.328 -2.403 -4.489 273 HG22 VAL 39 2HG2 VAL 39 8.874 -2.995 -3.882 274 HG23 VAL 39 3HG2 VAL 39 8.194 -1.497 -3.248 275 H LYS 40 H LYS 40 8.355 -4.292 -5.343 276 HA LYS 40 HA LYS 40 6.416 -4.496 -7.554 277 HB2 LYS 40 1HB LYS 40 8.171 -6.365 -7.194 278 HB3 LYS 40 2HB LYS 40 7.200 -6.806 -5.796 279 HG2 LYS 40 1HG LYS 40 6.302 -8.179 -7.381 280 HG3 LYS 40 2HG LYS 40 5.242 -6.777 -7.540 281 HD2 LYS 40 1HD LYS 40 7.715 -7.117 -9.216 282 HD3 LYS 40 2HD LYS 40 6.156 -7.794 -9.692 283 HE2 LYS 40 1HE LYS 40 5.291 -5.373 -9.264 284 HE3 LYS 40 2HE LYS 40 6.988 -4.933 -9.442 285 HZ1 LYS 40 1HZ LYS 40 5.170 -5.316 -11.463 286 HZ2 LYS 40 2HZ LYS 40 6.155 -6.690 -11.516 287 HZ3 LYS 40 3HZ LYS 40 6.845 -5.150 -11.631 288 H TRP 41 H TRP 41 4.418 -3.979 -6.988 289 HA TRP 41 HA TRP 41 3.631 -4.236 -4.169 290 HB2 TRP 41 1HB TRP 41 2.745 -2.444 -6.404 291 HB3 TRP 41 2HB TRP 41 1.655 -2.762 -5.057 292 HD1 TRP 41 HD TRP 41 5.209 -1.348 -5.671 293 HE1 TRP 41 1HE TRP 41 5.707 0.377 -3.826 294 HE3 TRP 41 3HE TRP 41 0.978 -1.922 -2.860 295 HZ2 TRP 41 2HZ TRP 41 4.469 1.363 -1.489 296 HZ3 TRP 41 3HZ TRP 41 0.712 -0.550 -0.835 297 HH2 TRP 41 HH TRP 41 2.423 1.057 -0.165 298 H CYS 42 H CYS 42 2.594 -6.066 -3.735 299 HA CYS 42 HA CYS 42 0.758 -7.160 -5.758 300 HB2 CYS 42 1HB CYS 42 2.812 -8.485 -4.754 301 HB3 CYS 42 2HB CYS 42 1.697 -8.775 -3.425 302 HG CYS 42 HG CYS 42 1.468 -9.850 -6.646 303 H TYR 43 H TYR 43 -1.349 -7.490 -5.277 304 HA TYR 43 HA TYR 43 -2.277 -7.343 -2.530 305 HB2 TYR 43 1HB TYR 43 -2.459 -5.056 -2.857 306 HB3 TYR 43 2HB TYR 43 -2.799 -5.223 -4.576 307 HD1 TYR 43 2HD TYR 43 -4.272 -5.678 -1.201 308 HD2 TYR 43 1HD TYR 43 -5.015 -5.254 -5.369 309 HE1 TYR 43 2HE TYR 43 -6.676 -5.439 -0.742 310 HE2 TYR 43 1HE TYR 43 -7.422 -5.012 -4.921 311 HH TYR 43 HH TYR 43 -8.749 -4.148 -2.419 312 H GLY 44 H GLY 44 -3.559 -9.053 -2.357 313 HA2 GLY 44 1HA GLY 44 -5.295 -10.507 -2.762 314 HA3 GLY 44 2HA GLY 44 -5.874 -9.375 -3.975 315 H ASN 45 H ASN 45 -6.069 -10.288 -5.897 316 HA ASN 45 HA ASN 45 -4.074 -12.305 -6.695 317 HB2 ASN 45 1HB ASN 45 -7.036 -12.231 -6.984 318 HB3 ASN 45 2HB ASN 45 -6.110 -12.939 -8.304 319 HD21 ASN 45 1HD2 ASN 45 -7.725 -13.654 -5.580 320 HD22 ASN 45 2HD2 ASN 45 -6.923 -15.114 -5.122 321 H ASN 46 H ASN 46 -3.366 -9.772 -7.171 322 HA ASN 46 HA ASN 46 -3.075 -9.690 -9.983 323 HB2 ASN 46 1HB ASN 46 -5.471 -8.818 -9.586 324 HB3 ASN 46 2HB ASN 46 -4.694 -7.379 -8.934 325 HD21 ASN 46 1HD2 ASN 46 -4.549 -9.505 -11.769 326 HD22 ASN 46 2HD2 ASN 46 -4.318 -8.237 -12.920 327 H VAL 47 H VAL 47 -1.787 -7.832 -10.698 328 HA VAL 47 HA VAL 47 -0.045 -6.905 -8.530 329 HB VAL 47 HB VAL 47 0.386 -6.991 -11.518 330 HG11 VAL 47 1HG1 VAL 47 1.666 -5.170 -11.024 331 HG12 VAL 47 2HG1 VAL 47 1.899 -5.650 -9.341 332 HG13 VAL 47 3HG1 VAL 47 2.816 -6.444 -10.622 333 HG21 VAL 47 1HG2 VAL 47 0.751 -8.910 -9.471 334 HG22 VAL 47 2HG2 VAL 47 1.208 -9.025 -11.171 335 HG23 VAL 47 3HG2 VAL 47 2.351 -8.381 -9.993 336 H LEU 48 H LEU 48 -0.296 -4.914 -7.786 337 HA LEU 48 HA LEU 48 -2.023 -3.011 -8.942 338 HB2 LEU 48 1HB LEU 48 0.183 -2.439 -6.977 339 HB3 LEU 48 2HB LEU 48 -1.303 -1.523 -7.223 340 HG LEU 48 HG LEU 48 -1.085 -4.284 -6.024 341 HD11 LEU 48 1HD1 LEU 48 -0.442 -2.022 -4.779 342 HD12 LEU 48 2HD1 LEU 48 -1.273 -3.348 -3.967 343 HD13 LEU 48 3HD1 LEU 48 -2.190 -1.962 -4.556 344 HD21 LEU 48 1HD2 LEU 48 -3.606 -3.051 -5.591 345 HD22 LEU 48 2HD2 LEU 48 -3.245 -4.549 -6.448 346 HD23 LEU 48 3HD2 LEU 48 -3.266 -3.016 -7.321 347 H ARG 49 H ARG 49 -1.708 -1.453 -10.407 348 HA ARG 49 HA ARG 49 1.052 -0.760 -11.151 349 HB2 ARG 49 1HB ARG 49 -1.232 -1.270 -13.066 350 HB3 ARG 49 2HB ARG 49 0.362 -0.683 -13.518 351 HG2 ARG 49 1HG ARG 49 1.382 -2.727 -13.039 352 HG3 ARG 49 2HG ARG 49 0.010 -3.286 -12.079 353 HD2 ARG 49 1HD ARG 49 -1.321 -3.621 -14.001 354 HD3 ARG 49 2HD ARG 49 -0.204 -2.717 -15.023 355 HE ARG 49 HE ARG 49 0.958 -5.056 -13.822 356 HH11 ARG 49 2HH1 ARG 49 -0.876 -3.827 -16.514 357 HH12 ARG 49 1HH1 ARG 49 -0.423 -5.116 -17.579 358 HH21 ARG 49 2HH2 ARG 49 1.562 -6.758 -15.215 359 HH22 ARG 49 1HH2 ARG 49 0.963 -6.783 -16.839 360 HA PRO 50 HA PRO 50 -0.222 3.429 -10.818 361 HB2 PRO 50 1HB PRO 50 1.434 4.602 -12.622 362 HB3 PRO 50 2HB PRO 50 1.994 3.987 -11.063 363 HG2 PRO 50 1HG PRO 50 2.151 2.715 -13.768 364 HG3 PRO 50 2HG PRO 50 3.381 2.789 -12.494 365 HD2 PRO 50 1HD PRO 50 1.858 0.592 -12.921 366 HD3 PRO 50 2HD PRO 50 2.439 1.052 -11.308 367 H GLY 51 H GLY 51 -1.783 4.701 -11.652 368 HA2 GLY 51 1HA GLY 51 -2.190 5.157 -14.415 369 HA3 GLY 51 2HA GLY 51 -3.309 3.925 -13.851 370 H ASP 52 H ASP 52 -5.180 4.582 -13.017 371 HA ASP 52 HA ASP 52 -5.425 7.423 -12.275 372 HB2 ASP 52 1HB ASP 52 -7.627 5.576 -13.218 373 HB3 ASP 52 2HB ASP 52 -7.751 7.310 -12.938 374 H LYS 53 H LYS 53 -6.609 4.166 -11.491 375 HA LYS 53 HA LYS 53 -7.865 4.975 -9.059 376 HB2 LYS 53 1HB LYS 53 -8.654 3.002 -10.207 377 HB3 LYS 53 2HB LYS 53 -7.066 2.254 -10.103 378 HG2 LYS 53 1HG LYS 53 -8.106 1.188 -8.388 379 HG3 LYS 53 2HG LYS 53 -7.464 2.582 -7.516 380 HD2 LYS 53 1HD LYS 53 -9.561 3.672 -7.520 381 HD3 LYS 53 2HD LYS 53 -10.220 2.560 -8.722 382 HE2 LYS 53 1HE LYS 53 -9.701 0.757 -6.900 383 HE3 LYS 53 2HE LYS 53 -9.729 2.139 -5.806 384 HZ1 LYS 53 1HZ LYS 53 -11.963 2.357 -7.436 385 HZ2 LYS 53 2HZ LYS 53 -11.923 1.980 -5.788 386 HZ3 LYS 53 3HZ LYS 53 -11.900 0.741 -6.939 387 H TYR 54 H TYR 54 -4.808 3.343 -9.830 388 HA TYR 54 HA TYR 54 -3.939 3.827 -7.057 389 HB2 TYR 54 1HB TYR 54 -3.089 1.725 -9.052 390 HB3 TYR 54 2HB TYR 54 -2.224 2.032 -7.550 391 HD1 TYR 54 1HD TYR 54 -4.058 2.233 -5.471 392 HD2 TYR 54 2HD TYR 54 -4.406 -0.156 -8.974 393 HE1 TYR 54 1HE TYR 54 -5.584 0.717 -4.278 394 HE2 TYR 54 2HE TYR 54 -5.934 -1.678 -7.792 395 HH TYR 54 HH TYR 54 -6.857 -2.206 -5.834 396 H SER 55 H SER 55 -1.611 4.285 -6.784 397 HA SER 55 HA SER 55 -0.285 5.486 -9.084 398 HB2 SER 55 1HB SER 55 -1.788 7.178 -7.720 399 HB3 SER 55 2HB SER 55 -0.421 7.159 -6.607 400 HG SER 55 HG SER 55 0.126 7.483 -9.322 401 H LEU 56 H LEU 56 1.779 4.911 -9.072 402 HA LEU 56 HA LEU 56 2.997 4.111 -6.515 403 HB2 LEU 56 1HB LEU 56 3.386 3.185 -9.334 404 HB3 LEU 56 2HB LEU 56 4.662 2.961 -8.138 405 HG LEU 56 HG LEU 56 3.405 0.928 -8.330 406 HD11 LEU 56 1HD1 LEU 56 3.213 0.511 -6.111 407 HD12 LEU 56 2HD1 LEU 56 2.270 1.968 -5.802 408 HD13 LEU 56 3HD1 LEU 56 4.018 2.077 -6.007 409 HD21 LEU 56 1HD2 LEU 56 1.222 2.646 -8.749 410 HD22 LEU 56 2HD2 LEU 56 0.866 1.740 -7.278 411 HD23 LEU 56 3HD2 LEU 56 1.232 0.883 -8.776 412 H ARG 57 H ARG 57 4.305 5.601 -5.701 413 HA ARG 57 HA ARG 57 6.126 7.016 -7.525 414 HB2 ARG 57 1HB ARG 57 4.350 8.574 -6.950 415 HB3 ARG 57 2HB ARG 57 4.571 8.236 -5.238 416 HG2 ARG 57 1HG ARG 57 5.717 10.197 -5.417 417 HG3 ARG 57 2HG ARG 57 7.021 9.049 -5.727 418 HD2 ARG 57 1HD ARG 57 7.114 10.823 -7.357 419 HD3 ARG 57 2HD ARG 57 6.636 9.324 -8.152 420 HE ARG 57 HE ARG 57 4.361 10.823 -7.368 421 HH11 ARG 57 2HH1 ARG 57 6.905 10.709 -9.742 422 HH12 ARG 57 1HH1 ARG 57 5.980 11.519 -10.963 423 HH21 ARG 57 2HH2 ARG 57 3.133 11.891 -8.967 424 HH22 ARG 57 1HH2 ARG 57 3.835 12.192 -10.520 425 H GLN 58 H GLN 58 8.184 7.364 -6.768 426 HA GLN 58 HA GLN 58 8.806 6.184 -4.140 427 HB2 GLN 58 1HB GLN 58 9.789 4.720 -5.667 428 HB3 GLN 58 2HB GLN 58 10.231 6.013 -6.773 429 HG2 GLN 58 1HG GLN 58 12.064 6.653 -5.482 430 HG3 GLN 58 2HG GLN 58 11.477 5.793 -4.060 431 HE21 GLN 58 1HE2 GLN 58 12.743 4.151 -3.612 432 HE22 GLN 58 2HE2 GLN 58 13.456 3.068 -4.752 433 H GLU 59 H GLU 59 10.088 7.307 -2.758 434 HA GLU 59 HA GLU 59 11.273 9.821 -3.710 435 HB2 GLU 59 1HB GLU 59 8.995 10.000 -2.431 436 HB3 GLU 59 2HB GLU 59 9.984 9.699 -1.009 437 HG2 GLU 59 1HG GLU 59 10.413 11.938 -2.973 438 HG3 GLU 59 2HG GLU 59 9.599 12.088 -1.417 439 H GLY 60 H GLY 60 13.299 8.762 -3.681 440 HA2 GLY 60 1HA GLY 60 15.229 7.915 -2.741 441 HA3 GLY 60 2HA GLY 60 14.928 9.160 -1.538 442 H ALA 61 H ALA 61 14.241 5.793 -2.371 443 HA ALA 61 HA ALA 61 13.925 3.943 -1.083 444 HB1 ALA 61 1HB ALA 61 14.719 4.414 1.450 445 HB2 ALA 61 2HB ALA 61 15.823 4.029 0.129 446 HB3 ALA 61 3HB ALA 61 15.570 5.708 0.606 447 H MET 62 H MET 62 11.678 5.397 -1.477 448 HA MET 62 HA MET 62 10.119 4.712 0.843 449 HB2 MET 62 1HB MET 62 10.972 7.022 1.342 450 HB3 MET 62 2HB MET 62 10.094 7.590 -0.072 451 HG2 MET 62 1HG MET 62 8.638 6.076 2.039 452 HG3 MET 62 2HG MET 62 9.048 7.769 2.307 453 HE1 MET 62 1HE MET 62 8.255 9.644 1.247 454 HE2 MET 62 2HE MET 62 6.798 9.787 0.264 455 HE3 MET 62 3HE MET 62 6.676 9.305 1.957 456 H LEU 63 H LEU 63 8.393 3.728 0.042 457 HA LEU 63 HA LEU 63 7.454 4.452 -2.638 458 HB2 LEU 63 1HB LEU 63 6.761 2.049 -0.956 459 HB3 LEU 63 2HB LEU 63 6.305 2.316 -2.638 460 HG LEU 63 HG LEU 63 8.048 0.880 -2.930 461 HD11 LEU 63 1HD1 LEU 63 9.478 3.523 -2.685 462 HD12 LEU 63 2HD1 LEU 63 8.607 2.942 -4.104 463 HD13 LEU 63 3HD1 LEU 63 10.062 2.106 -3.559 464 HD21 LEU 63 1HD2 LEU 63 8.936 0.223 -0.977 465 HD22 LEU 63 2HD2 LEU 63 8.854 1.840 -0.278 466 HD23 LEU 63 3HD2 LEU 63 10.191 1.406 -1.344 467 H GLU 64 H GLU 64 5.128 4.517 -3.036 468 HA GLU 64 HA GLU 64 3.388 4.946 -0.761 469 HB2 GLU 64 1HB GLU 64 4.494 7.144 -1.085 470 HB3 GLU 64 2HB GLU 64 3.886 7.181 -2.734 471 HG2 GLU 64 1HG GLU 64 2.060 6.946 -0.368 472 HG3 GLU 64 2HG GLU 64 2.606 8.503 -0.987 473 H LEU 65 H LEU 65 1.464 4.114 -1.221 474 HA LEU 65 HA LEU 65 0.642 3.964 -4.047 475 HB2 LEU 65 1HB LEU 65 1.202 1.765 -3.266 476 HB3 LEU 65 2HB LEU 65 0.215 1.979 -1.822 477 HG LEU 65 HG LEU 65 -1.749 2.203 -3.508 478 HD11 LEU 65 1HD1 LEU 65 0.423 0.990 -5.183 479 HD12 LEU 65 2HD1 LEU 65 -0.669 2.316 -5.577 480 HD13 LEU 65 3HD1 LEU 65 -1.283 0.665 -5.494 481 HD21 LEU 65 1HD2 LEU 65 -1.210 0.328 -1.868 482 HD22 LEU 65 2HD2 LEU 65 -0.516 -0.524 -3.247 483 HD23 LEU 65 3HD2 LEU 65 -2.224 -0.081 -3.252 484 H VAL 66 H VAL 66 -0.879 5.472 -4.315 485 HA VAL 66 HA VAL 66 -2.706 6.176 -2.187 486 HB VAL 66 HB VAL 66 -2.321 7.181 -4.996 487 HG11 VAL 66 1HG1 VAL 66 -4.628 7.364 -4.856 488 HG12 VAL 66 2HG1 VAL 66 -4.600 7.674 -3.119 489 HG13 VAL 66 3HG1 VAL 66 -4.080 8.926 -4.248 490 HG21 VAL 66 1HG2 VAL 66 -2.245 9.304 -3.271 491 HG22 VAL 66 2HG2 VAL 66 -1.538 8.009 -2.304 492 HG23 VAL 66 3HG2 VAL 66 -0.838 8.425 -3.869 493 H VAL 67 H VAL 67 -4.900 5.816 -2.132 494 HA VAL 67 HA VAL 67 -6.049 4.121 -4.240 495 HB VAL 67 HB VAL 67 -6.385 3.624 -1.278 496 HG11 VAL 67 1HG1 VAL 67 -8.149 2.362 -1.763 497 HG12 VAL 67 2HG1 VAL 67 -8.092 3.009 -3.404 498 HG13 VAL 67 3HG1 VAL 67 -7.256 1.504 -3.018 499 HG21 VAL 67 1HG2 VAL 67 -4.326 2.710 -1.633 500 HG22 VAL 67 2HG2 VAL 67 -5.328 1.355 -2.150 501 HG23 VAL 67 3HG2 VAL 67 -4.619 2.436 -3.350 502 H ARG 68 H ARG 68 -7.541 5.436 -5.094 503 HA ARG 68 HA ARG 68 -9.146 7.141 -3.349 504 HB2 ARG 68 1HB ARG 68 -10.063 7.789 -5.760 505 HB3 ARG 68 2HB ARG 68 -8.568 8.460 -5.122 506 HG2 ARG 68 1HG ARG 68 -7.239 7.112 -6.470 507 HG3 ARG 68 2HG ARG 68 -8.547 5.967 -6.775 508 HD2 ARG 68 1HD ARG 68 -8.463 7.123 -8.768 509 HD3 ARG 68 2HD ARG 68 -9.710 8.009 -7.891 510 HE ARG 68 HE ARG 68 -7.175 9.161 -7.413 511 HH11 ARG 68 2HH1 ARG 68 -9.617 8.859 -9.876 512 HH12 ARG 68 1HH1 ARG 68 -9.211 10.357 -10.646 513 HH21 ARG 68 2HH2 ARG 68 -6.631 11.135 -8.419 514 HH22 ARG 68 1HH2 ARG 68 -7.511 11.650 -9.817 515 H ASN 69 H ASN 69 -11.458 7.183 -3.502 516 HA ASN 69 HA ASN 69 -13.539 6.264 -3.590 517 HB2 ASN 69 1HB ASN 69 -12.803 5.889 -6.035 518 HB3 ASN 69 2HB ASN 69 -12.531 4.217 -5.554 519 HD21 ASN 69 1HD2 ASN 69 -14.688 6.234 -6.929 520 HD22 ASN 69 2HD2 ASN 69 -16.153 5.384 -6.590 521 H LEU 70 H LEU 70 -12.118 5.532 -1.469 522 HA LEU 70 HA LEU 70 -11.560 2.849 -1.039 523 HB2 LEU 70 1HB LEU 70 -12.381 5.101 0.740 524 HB3 LEU 70 2HB LEU 70 -12.272 3.470 1.400 525 HG LEU 70 HG LEU 70 -9.947 4.668 -0.058 526 HD11 LEU 70 1HD1 LEU 70 -9.119 5.375 2.217 527 HD12 LEU 70 2HD1 LEU 70 -10.779 5.193 2.784 528 HD13 LEU 70 3HD1 LEU 70 -10.402 6.366 1.522 529 HD21 LEU 70 1HD2 LEU 70 -9.523 3.033 2.316 530 HD22 LEU 70 2HD2 LEU 70 -8.839 2.882 0.698 531 HD23 LEU 70 3HD2 LEU 70 -10.427 2.201 1.051 532 H ARG 71 H ARG 71 -12.734 1.158 -0.045 533 HA ARG 71 HA ARG 71 -15.588 1.419 0.319 534 HB2 ARG 71 1HB ARG 71 -14.393 -0.054 -2.000 535 HB3 ARG 71 2HB ARG 71 -15.881 -0.642 -1.269 536 HG2 ARG 71 1HG ARG 71 -16.869 1.619 -1.649 537 HG3 ARG 71 2HG ARG 71 -15.413 2.036 -2.554 538 HD2 ARG 71 1HD ARG 71 -17.175 -0.319 -3.205 539 HD3 ARG 71 2HD ARG 71 -17.352 1.270 -3.949 540 HE ARG 71 HE ARG 71 -14.718 0.567 -4.315 541 HH11 ARG 71 2HH1 ARG 71 -17.824 -0.753 -5.169 542 HH12 ARG 71 1HH1 ARG 71 -17.250 -1.506 -6.620 543 HH21 ARG 71 2HH2 ARG 71 -13.950 -0.420 -6.222 544 HH22 ARG 71 1HH2 ARG 71 -15.046 -1.317 -7.218 545 HA PRO 72 HA PRO 72 -14.913 -1.761 3.267 546 HB2 PRO 72 1HB PRO 72 -17.331 -2.995 3.285 547 HB3 PRO 72 2HB PRO 72 -17.065 -1.393 3.983 548 HG2 PRO 72 1HG PRO 72 -18.216 -2.131 1.320 549 HG3 PRO 72 2HG PRO 72 -18.763 -0.900 2.473 550 HD2 PRO 72 1HD PRO 72 -17.300 -0.291 0.278 551 HD3 PRO 72 2HD PRO 72 -17.173 0.624 1.794 552 H GLN 73 H GLN 73 -15.721 -2.525 0.017 553 HA GLN 73 HA GLN 73 -15.437 -5.389 0.358 554 HB2 GLN 73 1HB GLN 73 -15.716 -5.450 -2.114 555 HB3 GLN 73 2HB GLN 73 -17.035 -4.638 -1.280 556 HG2 GLN 73 1HG GLN 73 -16.274 -2.506 -1.954 557 HG3 GLN 73 2HG GLN 73 -14.733 -3.156 -2.512 558 HE21 GLN 73 1HE2 GLN 73 -18.217 -3.476 -3.073 559 HE22 GLN 73 2HE2 GLN 73 -18.098 -3.681 -4.785 560 H ASP 74 H ASP 74 -13.337 -2.848 0.192 561 HA ASP 74 HA ASP 74 -11.309 -4.139 -1.431 562 HB2 ASP 74 1HB ASP 74 -11.523 -1.516 0.003 563 HB3 ASP 74 2HB ASP 74 -9.941 -2.110 -0.494 564 H SER 75 H SER 75 -12.048 -3.615 1.953 565 HA SER 75 HA SER 75 -9.731 -4.099 3.262 566 HB2 SER 75 1HB SER 75 -12.416 -5.340 3.913 567 HB3 SER 75 2HB SER 75 -11.060 -5.211 5.033 568 HG SER 75 HG SER 75 -12.419 -3.045 3.797 569 H GLY 76 H GLY 76 -8.214 -5.444 2.436 570 HA2 GLY 76 1HA GLY 76 -8.856 -8.311 2.488 571 HA3 GLY 76 2HA GLY 76 -8.116 -7.636 1.045 572 H ARG 77 H ARG 77 -6.088 -8.356 0.989 573 HA ARG 77 HA ARG 77 -4.430 -7.953 3.387 574 HB2 ARG 77 1HB ARG 77 -5.131 -10.409 2.709 575 HB3 ARG 77 2HB ARG 77 -3.836 -10.220 1.534 576 HG2 ARG 77 1HG ARG 77 -2.300 -9.652 3.399 577 HG3 ARG 77 2HG ARG 77 -3.608 -10.016 4.527 578 HD2 ARG 77 1HD ARG 77 -2.853 -12.043 2.476 579 HD3 ARG 77 2HD ARG 77 -1.823 -11.835 3.892 580 HE ARG 77 HE ARG 77 -3.476 -12.758 5.208 581 HH11 ARG 77 2HH1 ARG 77 -4.697 -12.148 2.005 582 HH12 ARG 77 1HH1 ARG 77 -6.155 -13.051 2.248 583 HH21 ARG 77 2HH2 ARG 77 -5.393 -13.950 5.540 584 HH22 ARG 77 1HH2 ARG 77 -6.551 -14.074 4.259 585 H TYR 78 H TYR 78 -3.201 -6.260 2.827 586 HA TYR 78 HA TYR 78 -2.101 -6.110 0.120 587 HB2 TYR 78 1HB TYR 78 -1.964 -4.060 2.339 588 HB3 TYR 78 2HB TYR 78 -1.529 -3.812 0.652 589 HD1 TYR 78 2HD TYR 78 -4.330 -4.298 2.991 590 HD2 TYR 78 1HD TYR 78 -3.206 -3.409 -1.015 591 HE1 TYR 78 2HE TYR 78 -6.635 -3.588 2.508 592 HE2 TYR 78 1HE TYR 78 -5.507 -2.696 -1.509 593 HH TYR 78 HH TYR 78 -8.036 -2.793 0.987 594 H SER 79 H SER 79 0.039 -6.247 -0.335 595 HA SER 79 HA SER 79 2.036 -6.191 1.747 596 HB2 SER 79 1HB SER 79 2.901 -8.496 1.082 597 HB3 SER 79 2HB SER 79 1.432 -8.470 2.057 598 HG SER 79 HG SER 79 1.221 -8.482 -0.739 599 H CYS 80 H CYS 80 4.174 -6.081 0.938 600 HA CYS 80 HA CYS 80 4.360 -5.670 -1.973 601 HB2 CYS 80 1HB CYS 80 4.432 -3.599 -0.339 602 HB3 CYS 80 2HB CYS 80 6.097 -4.114 -0.101 603 HG CYS 80 HG CYS 80 7.048 -3.413 -2.445 604 H SER 81 H SER 81 5.620 -7.179 -2.822 605 HA SER 81 HA SER 81 7.587 -8.562 -1.218 606 HB2 SER 81 1HB SER 81 6.057 -9.621 -2.995 607 HB3 SER 81 2HB SER 81 7.165 -8.930 -4.180 608 HG SER 81 HG SER 81 8.079 -10.833 -3.816 609 H PHE 82 H PHE 82 9.731 -8.260 -1.227 610 HA PHE 82 HA PHE 82 11.063 -6.914 -3.408 611 HB2 PHE 82 1HB PHE 82 10.077 -5.178 -1.687 612 HB3 PHE 82 2HB PHE 82 11.478 -5.648 -0.730 613 HD1 PHE 82 2HD PHE 82 13.451 -6.073 -2.927 614 HD2 PHE 82 1HD PHE 82 10.598 -2.982 -2.277 615 HE1 PHE 82 2HE PHE 82 14.853 -4.513 -4.213 616 HE2 PHE 82 1HE PHE 82 11.995 -1.417 -3.563 617 HZ PHE 82 HZ PHE 82 14.127 -2.181 -4.531 618 H GLY 83 H GLY 83 12.800 -8.128 -3.732 619 HA2 GLY 83 1HA GLY 83 14.732 -9.306 -3.333 620 HA3 GLY 83 2HA GLY 83 14.772 -8.550 -1.747 621 H ASP 84 H ASP 84 14.637 -9.881 -0.077 622 HA ASP 84 HA ASP 84 13.444 -12.539 -0.511 623 HB2 ASP 84 1HB ASP 84 14.887 -13.361 1.264 624 HB3 ASP 84 2HB ASP 84 15.859 -12.535 0.049 625 H GLN 85 H GLN 85 13.418 -9.678 1.469 626 HA GLN 85 HA GLN 85 11.537 -10.875 3.356 627 HB2 GLN 85 1HB GLN 85 13.022 -8.256 3.292 628 HB3 GLN 85 2HB GLN 85 11.718 -8.554 4.434 629 HG2 GLN 85 1HG GLN 85 14.188 -10.254 4.191 630 HG3 GLN 85 2HG GLN 85 13.979 -8.949 5.357 631 HE21 GLN 85 1HE2 GLN 85 11.946 -9.149 6.702 632 HE22 GLN 85 2HE2 GLN 85 11.572 -10.725 7.304 633 H THR 86 H THR 86 9.434 -10.186 3.623 634 HA THR 86 HA THR 86 8.398 -8.144 1.803 635 HB THR 86 HB THR 86 7.338 -10.970 1.951 636 HG1 THR 86 1HG THR 86 7.621 -10.571 -0.449 637 HG21 THR 86 1HG2 THR 86 6.093 -8.437 0.945 638 HG22 THR 86 2HG2 THR 86 5.371 -9.737 1.894 639 HG23 THR 86 3HG2 THR 86 5.711 -9.979 0.181 640 H THR 87 H THR 87 6.763 -6.956 2.642 641 HA THR 87 HA THR 87 5.896 -7.648 5.363 642 HB THR 87 HB THR 87 7.010 -5.470 5.138 643 HG1 THR 87 1HG THR 87 5.278 -5.751 6.670 644 HG21 THR 87 1HG2 THR 87 6.203 -3.720 3.793 645 HG22 THR 87 2HG2 THR 87 4.669 -4.539 3.497 646 HG23 THR 87 3HG2 THR 87 6.149 -5.139 2.748 647 H SER 88 H SER 88 3.686 -7.288 5.973 648 HA SER 88 HA SER 88 1.740 -7.022 3.818 649 HB2 SER 88 1HB SER 88 1.696 -9.400 5.690 650 HB3 SER 88 2HB SER 88 0.562 -9.065 4.382 651 HG SER 88 HG SER 88 3.342 -9.566 4.085 652 H ALA 89 H ALA 89 0.251 -5.628 4.460 653 HA ALA 89 HA ALA 89 -0.492 -5.559 7.310 654 HB1 ALA 89 1HB ALA 89 0.726 -3.489 5.776 655 HB2 ALA 89 2HB ALA 89 -0.907 -2.987 6.219 656 HB3 ALA 89 3HB ALA 89 0.237 -3.472 7.471 657 H THR 90 H THR 90 -2.609 -4.263 7.585 658 HA THR 90 HA THR 90 -4.463 -4.940 5.397 659 HB THR 90 HB THR 90 -5.093 -5.193 8.343 660 HG1 THR 90 1HG THR 90 -4.828 -7.341 6.514 661 HG21 THR 90 1HG2 THR 90 -6.630 -5.833 5.831 662 HG22 THR 90 2HG2 THR 90 -7.088 -4.737 7.134 663 HG23 THR 90 3HG2 THR 90 -7.064 -6.478 7.414 664 H LEU 91 H LEU 91 -6.290 -3.595 5.161 665 HA LEU 91 HA LEU 91 -6.044 -0.989 6.515 666 HB2 LEU 91 1HB LEU 91 -5.530 -0.670 4.234 667 HB3 LEU 91 2HB LEU 91 -6.867 -1.695 3.713 668 HG LEU 91 HG LEU 91 -8.464 0.008 4.389 669 HD11 LEU 91 1HD1 LEU 91 -6.352 0.945 5.977 670 HD12 LEU 91 2HD1 LEU 91 -7.975 1.618 5.831 671 HD13 LEU 91 3HD1 LEU 91 -6.678 2.212 4.795 672 HD21 LEU 91 1HD2 LEU 91 -6.284 0.612 2.474 673 HD22 LEU 91 2HD2 LEU 91 -7.405 1.916 2.867 674 HD23 LEU 91 3HD2 LEU 91 -8.013 0.402 2.197 675 H THR 92 H THR 92 -7.744 -0.262 7.630 676 HA THR 92 HA THR 92 -10.181 -1.876 7.628 677 HB THR 92 HB THR 92 -9.275 0.292 9.532 678 HG1 THR 92 1HG THR 92 -9.600 -2.404 10.247 679 HG21 THR 92 1HG2 THR 92 -11.516 -1.630 10.048 680 HG22 THR 92 2HG2 THR 92 -11.812 -0.127 9.174 681 HG23 THR 92 3HG2 THR 92 -11.176 -0.081 10.818 682 H VAL 93 H VAL 93 -11.966 -1.229 6.628 683 HA VAL 93 HA VAL 93 -12.351 1.648 6.133 684 HB VAL 93 HB VAL 93 -12.960 -0.574 4.177 685 HG11 VAL 93 1HG1 VAL 93 -14.593 0.935 3.663 686 HG12 VAL 93 2HG1 VAL 93 -13.675 2.309 4.280 687 HG13 VAL 93 3HG1 VAL 93 -13.269 1.607 2.713 688 HG21 VAL 93 1HG2 VAL 93 -11.022 1.678 3.761 689 HG22 VAL 93 2HG2 VAL 93 -10.527 0.169 4.528 690 HG23 VAL 93 3HG2 VAL 93 -11.157 0.156 2.881 691 H THR 94 H THR 94 -14.058 2.254 7.284 692 HA THR 94 HA THR 94 -16.230 0.363 7.780 693 HB THR 94 HB THR 94 -16.038 3.148 8.910 694 HG1 THR 94 1HG THR 94 -14.124 2.169 9.517 695 HG21 THR 94 1HG2 THR 94 -17.881 2.567 10.016 696 HG22 THR 94 2HG2 THR 94 -17.067 1.150 10.679 697 HG23 THR 94 3HG2 THR 94 -17.907 1.041 9.132 698 H ALA 95 H ALA 95 -18.192 0.513 6.872 699 HA ALA 95 HA ALA 95 -18.611 2.310 4.695 700 HB1 ALA 95 1HB ALA 95 -19.500 0.047 4.647 701 HB2 ALA 95 2HB ALA 95 -20.529 0.406 6.035 702 HB3 ALA 95 3HB ALA 95 -20.801 1.229 4.499 703 H LEU 96 H LEU 96 -18.978 4.405 5.066 704 HA LEU 96 HA LEU 96 -19.935 5.583 7.371 705 HB2 LEU 96 1HB LEU 96 -19.926 7.547 6.223 706 HB3 LEU 96 2HB LEU 96 -18.932 6.566 5.149 707 HG LEU 96 HG LEU 96 -21.059 6.137 3.821 708 HD11 LEU 96 1HD1 LEU 96 -22.313 8.596 4.565 709 HD12 LEU 96 2HD1 LEU 96 -22.191 7.546 5.976 710 HD13 LEU 96 3HD1 LEU 96 -22.992 6.969 4.514 711 HD21 LEU 96 1HD2 LEU 96 -20.934 8.769 3.126 712 HD22 LEU 96 2HD2 LEU 96 -19.808 7.524 2.582 713 HD23 LEU 96 3HD2 LEU 96 -19.397 8.544 3.962 714 HA PRO 97 HA PRO 97 -24.240 4.685 7.525 715 HB2 PRO 97 1HB PRO 97 -25.076 6.794 9.016 716 HB3 PRO 97 2HB PRO 97 -24.168 5.438 9.695 717 HG2 PRO 97 1HG PRO 97 -23.192 8.143 8.862 718 HG3 PRO 97 2HG PRO 97 -22.781 7.201 10.307 719 HD2 PRO 97 1HD PRO 97 -21.164 7.322 8.139 720 HD3 PRO 97 2HD PRO 97 -21.269 5.882 9.172 721 H SER 98 H SER 98 -24.923 4.937 5.394 722 HA SER 98 HA SER 98 -25.288 7.487 4.174 723 HB2 SER 98 1HB SER 98 -26.085 4.678 3.468 724 HB3 SER 98 2HB SER 98 -26.723 6.039 2.546 725 HG SER 98 HG SER 98 -24.691 5.044 1.785 726 H GLY 99 H GLY 99 -26.897 8.883 4.439 727 HA2 GLY 99 1HA GLY 99 -29.594 7.949 4.981 728 HA3 GLY 99 2HA GLY 99 -28.852 8.884 6.271 729 HA PRO 100 HA PRO 100 -31.043 11.884 3.550 730 HB2 PRO 100 1HB PRO 100 -31.949 13.413 5.602 731 HB3 PRO 100 2HB PRO 100 -32.801 11.976 5.026 732 HG2 PRO 100 1HG PRO 100 -30.979 12.282 7.381 733 HG3 PRO 100 2HG PRO 100 -32.519 11.411 7.264 734 HD2 PRO 100 1HD PRO 100 -30.123 10.155 7.150 735 HD3 PRO 100 2HD PRO 100 -31.549 9.574 6.266 736 H SER 101 H SER 101 -28.741 12.205 6.159 737 HA SER 101 HA SER 101 -28.127 14.943 5.815 738 HB2 SER 101 1HB SER 101 -26.032 14.382 7.058 739 HB3 SER 101 2HB SER 101 -27.495 13.806 7.857 740 HG SER 101 HG SER 101 -25.435 12.375 7.304 741 H SER 102 H SER 102 -26.300 12.052 4.794 742 HA SER 102 HA SER 102 -25.095 13.691 2.661 743 HB2 SER 102 1HB SER 102 -23.189 12.120 2.723 744 HB3 SER 102 2HB SER 102 -23.439 12.904 4.283 745 HG SER 102 HG SER 102 -24.678 10.955 4.834 746 H GLY 103 H GLY 103 -27.589 12.619 2.207 747 HA2 GLY 103 1HA GLY 103 -27.311 10.082 0.835 748 HA3 GLY 103 2HA GLY 103 -28.774 11.048 0.962 Start of MODEL 6 1 H1 GLY 1 H GLY 1 28.014 -15.989 6.804 2 HA2 GLY 1 1HA GLY 1 28.364 -13.657 7.084 3 HA3 GLY 1 2HA GLY 1 29.434 -14.393 8.267 4 H SER 2 H SER 2 29.216 -12.524 5.409 5 HA SER 2 HA SER 2 32.109 -12.114 5.471 6 HB2 SER 2 1HB SER 2 32.239 -12.242 2.997 7 HB3 SER 2 2HB SER 2 31.792 -13.785 3.723 8 HG SER 2 HG SER 2 30.332 -13.556 2.149 9 H SER 3 H SER 3 32.730 -10.215 4.053 10 HA SER 3 HA SER 3 30.755 -8.094 4.471 11 HB2 SER 3 1HB SER 3 33.732 -7.965 3.937 12 HB3 SER 3 2HB SER 3 32.693 -6.556 4.151 13 HG SER 3 HG SER 3 32.844 -8.606 6.089 14 H GLY 4 H GLY 4 30.003 -6.795 2.847 15 HA2 GLY 4 1HA GLY 4 31.116 -6.821 0.206 16 HA3 GLY 4 2HA GLY 4 29.640 -7.769 0.310 17 H SER 5 H SER 5 29.027 -6.081 -1.333 18 HA SER 5 HA SER 5 27.728 -3.853 0.069 19 HB2 SER 5 1HB SER 5 29.212 -3.611 -2.559 20 HB3 SER 5 2HB SER 5 28.274 -2.331 -1.790 21 HG SER 5 HG SER 5 30.701 -2.505 -1.442 22 H SER 6 H SER 6 26.190 -2.719 -1.641 23 HA SER 6 HA SER 6 24.097 -3.003 -2.546 24 HB2 SER 6 1HB SER 6 25.921 -3.191 -4.441 25 HB3 SER 6 2HB SER 6 25.343 -4.855 -4.541 26 HG SER 6 HG SER 6 23.336 -4.129 -5.080 27 H GLY 7 H GLY 7 24.530 -4.805 -0.422 28 HA2 GLY 7 1HA GLY 7 23.790 -7.464 -1.167 29 HA3 GLY 7 2HA GLY 7 23.795 -6.803 0.461 30 HA PRO 8 HA PRO 8 19.396 -7.573 -0.775 31 HB2 PRO 8 1HB PRO 8 18.705 -8.774 1.560 32 HB3 PRO 8 2HB PRO 8 19.411 -9.654 0.199 33 HG2 PRO 8 1HG PRO 8 20.733 -8.627 2.681 34 HG3 PRO 8 2HG PRO 8 20.943 -10.187 1.866 35 HD2 PRO 8 1HD PRO 8 22.700 -8.147 1.581 36 HD3 PRO 8 2HD PRO 8 22.369 -9.310 0.282 37 H VAL 9 H VAL 9 17.397 -7.008 0.597 38 HA VAL 9 HA VAL 9 17.984 -4.690 2.320 39 HB VAL 9 HB VAL 9 15.582 -4.788 0.515 40 HG11 VAL 9 1HG1 VAL 9 15.133 -3.061 1.891 41 HG12 VAL 9 2HG1 VAL 9 16.823 -2.854 2.356 42 HG13 VAL 9 3HG1 VAL 9 16.239 -2.189 0.830 43 HG21 VAL 9 1HG2 VAL 9 16.841 -4.455 -1.283 44 HG22 VAL 9 2HG2 VAL 9 17.471 -2.982 -0.544 45 HG23 VAL 9 3HG2 VAL 9 18.307 -4.516 -0.304 46 H ARG 10 H ARG 10 16.239 -4.121 3.810 47 HA ARG 10 HA ARG 10 14.441 -6.358 4.439 48 HB2 ARG 10 1HB ARG 10 16.104 -6.731 6.030 49 HB3 ARG 10 2HB ARG 10 16.422 -5.015 6.244 50 HG2 ARG 10 1HG ARG 10 14.651 -4.723 7.676 51 HG3 ARG 10 2HG ARG 10 13.767 -6.109 7.036 52 HD2 ARG 10 1HD ARG 10 15.866 -7.412 8.001 53 HD3 ARG 10 2HD ARG 10 15.942 -6.001 9.056 54 HE ARG 10 HE ARG 10 13.377 -6.700 9.291 55 HH11 ARG 10 2HH1 ARG 10 16.292 -8.598 9.428 56 HH12 ARG 10 1HH1 ARG 10 15.633 -9.770 10.521 57 HH21 ARG 10 2HH2 ARG 10 12.497 -8.237 10.729 58 HH22 ARG 10 1HH2 ARG 10 13.474 -9.564 11.260 59 H PHE 11 H PHE 11 12.471 -5.801 5.339 60 HA PHE 11 HA PHE 11 11.543 -3.163 4.767 61 HB2 PHE 11 1HB PHE 11 10.338 -5.690 5.772 62 HB3 PHE 11 2HB PHE 11 9.477 -4.194 6.117 63 HD1 PHE 11 2HD PHE 11 8.878 -2.685 4.168 64 HD2 PHE 11 1HD PHE 11 10.180 -6.708 3.683 65 HE1 PHE 11 2HE PHE 11 7.906 -2.724 1.908 66 HE2 PHE 11 1HE PHE 11 9.211 -6.753 1.422 67 HZ PHE 11 HZ PHE 11 8.070 -4.760 0.532 68 H GLN 12 H GLN 12 12.896 -1.877 6.126 69 HA GLN 12 HA GLN 12 13.134 -2.109 8.888 70 HB2 GLN 12 1HB GLN 12 14.563 -0.613 7.655 71 HB3 GLN 12 2HB GLN 12 13.186 0.345 7.129 72 HG2 GLN 12 1HG GLN 12 14.360 1.504 8.874 73 HG3 GLN 12 2HG GLN 12 12.776 1.000 9.461 74 HE21 GLN 12 1HE2 GLN 12 13.317 1.001 11.604 75 HE22 GLN 12 2HE2 GLN 12 14.417 -0.131 12.306 76 H GLU 13 H GLU 13 10.841 -0.110 7.031 77 HA GLU 13 HA GLU 13 9.054 -0.168 9.371 78 HB2 GLU 13 1HB GLU 13 10.302 2.073 8.736 79 HB3 GLU 13 2HB GLU 13 9.031 2.181 7.526 80 HG2 GLU 13 1HG GLU 13 7.423 1.783 9.496 81 HG3 GLU 13 2HG GLU 13 8.799 2.221 10.506 82 H ALA 14 H ALA 14 8.677 -2.110 7.644 83 HA ALA 14 HA ALA 14 7.330 -1.835 5.300 84 HB1 ALA 14 1HB ALA 14 5.913 -3.825 6.699 85 HB2 ALA 14 2HB ALA 14 7.254 -4.035 5.572 86 HB3 ALA 14 3HB ALA 14 7.572 -3.864 7.298 87 H LEU 15 H LEU 15 4.929 -2.218 4.913 88 HA LEU 15 HA LEU 15 3.449 -0.023 5.614 89 HB2 LEU 15 1HB LEU 15 2.394 -2.779 4.999 90 HB3 LEU 15 2HB LEU 15 1.463 -1.284 4.923 91 HG LEU 15 HG LEU 15 3.880 -1.792 3.202 92 HD11 LEU 15 1HD1 LEU 15 1.011 -2.173 2.382 93 HD12 LEU 15 2HD1 LEU 15 2.063 -3.500 2.872 94 HD13 LEU 15 3HD1 LEU 15 2.466 -2.534 1.453 95 HD21 LEU 15 1HD2 LEU 15 3.562 0.412 2.902 96 HD22 LEU 15 2HD2 LEU 15 1.916 0.367 3.533 97 HD23 LEU 15 3HD2 LEU 15 2.234 -0.105 1.863 98 H LYS 16 H LYS 16 1.388 0.040 6.887 99 HA LYS 16 HA LYS 16 1.411 -1.647 9.274 100 HB2 LYS 16 1HB LYS 16 1.349 1.372 9.419 101 HB3 LYS 16 2HB LYS 16 1.273 0.259 10.779 102 HG2 LYS 16 1HG LYS 16 3.472 0.808 10.874 103 HG3 LYS 16 2HG LYS 16 3.574 -0.563 9.767 104 HD2 LYS 16 1HD LYS 16 4.876 1.155 8.797 105 HD3 LYS 16 2HD LYS 16 3.367 1.116 7.882 106 HE2 LYS 16 1HE LYS 16 2.524 2.990 9.232 107 HE3 LYS 16 2HE LYS 16 4.054 3.037 10.105 108 HZ1 LYS 16 1HZ LYS 16 3.732 4.648 8.177 109 HZ2 LYS 16 2HZ LYS 16 3.959 3.312 7.166 110 HZ3 LYS 16 3HZ LYS 16 5.185 3.783 8.232 111 H ASP 17 H ASP 17 -0.561 -1.067 10.689 112 HA ASP 17 HA ASP 17 -2.882 -1.364 9.082 113 HB2 ASP 17 1HB ASP 17 -4.097 -1.187 11.278 114 HB3 ASP 17 2HB ASP 17 -2.841 -2.421 11.232 115 H LEU 18 H LEU 18 -4.189 0.118 8.235 116 HA LEU 18 HA LEU 18 -4.089 2.858 9.306 117 HB2 LEU 18 1HB LEU 18 -4.155 1.982 6.426 118 HB3 LEU 18 2HB LEU 18 -4.469 3.634 6.953 119 HG LEU 18 HG LEU 18 -1.895 2.353 7.736 120 HD11 LEU 18 1HD1 LEU 18 -2.446 3.512 5.008 121 HD12 LEU 18 2HD1 LEU 18 -2.106 1.819 5.363 122 HD13 LEU 18 3HD1 LEU 18 -0.866 3.043 5.637 123 HD21 LEU 18 1HD2 LEU 18 -2.307 5.142 6.752 124 HD22 LEU 18 2HD2 LEU 18 -1.134 4.522 7.914 125 HD23 LEU 18 3HD2 LEU 18 -2.827 4.699 8.377 126 H GLU 19 H GLU 19 -6.018 4.146 8.866 127 HA GLU 19 HA GLU 19 -8.426 2.565 8.308 128 HB2 GLU 19 1HB GLU 19 -8.263 2.620 10.721 129 HB3 GLU 19 2HB GLU 19 -8.008 4.359 10.702 130 HG2 GLU 19 1HG GLU 19 -10.513 3.106 9.633 131 HG3 GLU 19 2HG GLU 19 -10.319 3.522 11.335 132 H VAL 20 H VAL 20 -9.919 3.591 7.101 133 HA VAL 20 HA VAL 20 -9.850 6.499 6.861 134 HB VAL 20 HB VAL 20 -9.584 4.665 4.474 135 HG11 VAL 20 1HG1 VAL 20 -10.031 7.638 4.663 136 HG12 VAL 20 2HG1 VAL 20 -9.477 6.823 3.199 137 HG13 VAL 20 3HG1 VAL 20 -11.059 6.439 3.878 138 HG21 VAL 20 1HG2 VAL 20 -7.427 4.867 5.252 139 HG22 VAL 20 2HG2 VAL 20 -7.529 6.257 4.171 140 HG23 VAL 20 3HG2 VAL 20 -7.700 6.480 5.912 141 H LEU 21 H LEU 21 -11.764 7.403 5.976 142 HA LEU 21 HA LEU 21 -14.113 5.836 6.525 143 HB2 LEU 21 1HB LEU 21 -13.642 8.385 6.914 144 HB3 LEU 21 2HB LEU 21 -14.214 8.534 5.254 145 HG LEU 21 HG LEU 21 -16.027 9.001 6.754 146 HD11 LEU 21 1HD1 LEU 21 -17.657 7.573 5.867 147 HD12 LEU 21 2HD1 LEU 21 -16.536 6.217 5.755 148 HD13 LEU 21 3HD1 LEU 21 -16.372 7.589 4.659 149 HD21 LEU 21 1HD2 LEU 21 -16.852 7.257 8.318 150 HD22 LEU 21 2HD2 LEU 21 -15.267 7.900 8.749 151 HD23 LEU 21 3HD2 LEU 21 -15.398 6.319 7.978 152 H GLU 22 H GLU 22 -15.356 4.780 5.115 153 HA GLU 22 HA GLU 22 -14.671 4.060 2.600 154 HB2 GLU 22 1HB GLU 22 -16.499 2.926 3.519 155 HB3 GLU 22 2HB GLU 22 -17.372 4.413 3.860 156 HG2 GLU 22 1HG GLU 22 -17.604 4.731 1.384 157 HG3 GLU 22 2HG GLU 22 -16.951 3.105 1.188 158 H GLY 23 H GLY 23 -15.313 4.678 0.467 159 HA2 GLY 23 1HA GLY 23 -15.837 6.162 -1.222 160 HA3 GLY 23 2HA GLY 23 -16.593 7.195 -0.019 161 H GLY 24 H GLY 24 -13.480 6.435 0.940 162 HA2 GLY 24 1HA GLY 24 -12.500 9.008 -0.128 163 HA3 GLY 24 2HA GLY 24 -12.027 8.336 1.425 164 H ALA 25 H ALA 25 -9.835 8.343 1.008 165 HA ALA 25 HA ALA 25 -8.941 6.261 -0.855 166 HB1 ALA 25 1HB ALA 25 -8.506 8.128 -2.173 167 HB2 ALA 25 2HB ALA 25 -8.016 9.110 -0.792 168 HB3 ALA 25 3HB ALA 25 -6.963 7.822 -1.376 169 H ALA 26 H ALA 26 -6.939 5.290 -0.318 170 HA ALA 26 HA ALA 26 -6.150 5.713 2.488 171 HB1 ALA 26 1HB ALA 26 -5.810 3.212 0.840 172 HB2 ALA 26 2HB ALA 26 -5.483 3.401 2.563 173 HB3 ALA 26 3HB ALA 26 -7.138 3.504 1.964 174 H THR 27 H THR 27 -4.026 5.987 3.020 175 HA THR 27 HA THR 27 -2.129 6.186 0.771 176 HB THR 27 HB THR 27 -2.017 7.790 3.330 177 HG1 THR 27 1HG THR 27 -2.963 9.439 2.198 178 HG21 THR 27 1HG2 THR 27 0.121 7.942 2.562 179 HG22 THR 27 2HG2 THR 27 -0.597 9.194 1.547 180 HG23 THR 27 3HG2 THR 27 -0.336 7.575 0.899 181 H LEU 28 H LEU 28 -0.719 4.568 0.832 182 HA LEU 28 HA LEU 28 0.245 3.642 3.457 183 HB2 LEU 28 1HB LEU 28 -0.047 2.142 0.862 184 HB3 LEU 28 2HB LEU 28 0.778 1.503 2.282 185 HG LEU 28 HG LEU 28 -1.559 2.028 3.420 186 HD11 LEU 28 1HD1 LEU 28 -2.076 2.150 0.527 187 HD12 LEU 28 2HD1 LEU 28 -2.987 2.825 1.877 188 HD13 LEU 28 3HD1 LEU 28 -3.171 1.123 1.454 189 HD21 LEU 28 1HD2 LEU 28 -1.198 -0.391 1.662 190 HD22 LEU 28 2HD2 LEU 28 -2.116 -0.273 3.164 191 HD23 LEU 28 3HD2 LEU 28 -0.355 -0.159 3.194 192 H ARG 29 H ARG 29 2.334 3.914 3.891 193 HA ARG 29 HA ARG 29 4.257 4.090 1.693 194 HB2 ARG 29 1HB ARG 29 5.331 6.043 2.991 195 HB3 ARG 29 2HB ARG 29 3.917 6.379 2.001 196 HG2 ARG 29 1HG ARG 29 2.548 6.701 3.823 197 HG3 ARG 29 2HG ARG 29 3.568 5.735 4.892 198 HD2 ARG 29 1HD ARG 29 5.322 7.615 4.439 199 HD3 ARG 29 2HD ARG 29 3.906 8.560 3.981 200 HE ARG 29 HE ARG 29 3.583 7.281 6.514 201 HH11 ARG 29 2HH1 ARG 29 5.001 10.026 4.909 202 HH12 ARG 29 1HH1 ARG 29 4.989 11.024 6.325 203 HH21 ARG 29 2HH2 ARG 29 3.562 8.585 8.385 204 HH22 ARG 29 1HH2 ARG 29 4.171 10.204 8.301 205 H CYS 30 H CYS 30 6.110 3.048 2.111 206 HA CYS 30 HA CYS 30 6.644 2.261 4.900 207 HB2 CYS 30 1HB CYS 30 7.734 0.206 3.879 208 HB3 CYS 30 2HB CYS 30 5.979 0.279 3.779 209 HG CYS 30 HG CYS 30 5.757 0.467 1.167 210 H VAL 31 H VAL 31 9.066 1.325 4.920 211 HA VAL 31 HA VAL 31 10.849 3.039 3.374 212 HB VAL 31 HB VAL 31 10.811 3.033 6.395 213 HG11 VAL 31 1HG1 VAL 31 12.956 3.504 4.521 214 HG12 VAL 31 2HG1 VAL 31 12.625 4.942 5.489 215 HG13 VAL 31 3HG1 VAL 31 13.001 3.412 6.282 216 HG21 VAL 31 1HG2 VAL 31 10.727 5.615 5.719 217 HG22 VAL 31 2HG2 VAL 31 9.910 4.935 4.312 218 HG23 VAL 31 3HG2 VAL 31 9.274 4.638 5.930 219 H LEU 32 H LEU 32 12.357 1.747 2.573 220 HA LEU 32 HA LEU 32 12.946 -0.795 3.837 221 HB2 LEU 32 1HB LEU 32 14.100 0.408 1.327 222 HB3 LEU 32 2HB LEU 32 14.247 -1.268 1.851 223 HG LEU 32 HG LEU 32 12.644 -1.091 0.049 224 HD11 LEU 32 1HD1 LEU 32 11.140 -1.543 2.617 225 HD12 LEU 32 2HD1 LEU 32 12.284 -2.700 1.936 226 HD13 LEU 32 3HD1 LEU 32 10.830 -2.265 1.038 227 HD21 LEU 32 1HD2 LEU 32 10.791 0.309 0.035 228 HD22 LEU 32 2HD2 LEU 32 12.058 1.334 0.711 229 HD23 LEU 32 3HD2 LEU 32 10.864 0.590 1.775 230 H SER 33 H SER 33 15.151 -1.502 4.230 231 HA SER 33 HA SER 33 16.583 0.246 5.872 232 HB2 SER 33 1HB SER 33 16.686 -2.271 5.917 233 HB3 SER 33 2HB SER 33 17.720 -2.192 4.490 234 HG SER 33 HG SER 33 18.254 -1.036 7.028 235 H SER 34 H SER 34 16.579 -0.094 2.470 236 HA SER 34 HA SER 34 18.462 2.058 2.178 237 HB2 SER 34 1HB SER 34 19.187 -0.520 0.791 238 HB3 SER 34 2HB SER 34 20.159 0.941 0.962 239 HG SER 34 HG SER 34 20.385 0.491 3.153 240 H VAL 35 H VAL 35 17.515 3.319 0.733 241 HA VAL 35 HA VAL 35 15.360 2.888 -0.814 242 HB VAL 35 HB VAL 35 16.204 5.086 -0.770 243 HG11 VAL 35 1HG1 VAL 35 18.662 4.364 -2.316 244 HG12 VAL 35 2HG1 VAL 35 18.354 5.774 -1.301 245 HG13 VAL 35 3HG1 VAL 35 18.628 4.196 -0.561 246 HG21 VAL 35 1HG2 VAL 35 16.899 4.436 -3.593 247 HG22 VAL 35 2HG2 VAL 35 15.268 4.092 -3.017 248 HG23 VAL 35 3HG2 VAL 35 15.898 5.738 -2.949 249 H ALA 36 H ALA 36 14.807 1.858 -2.649 250 HA ALA 36 HA ALA 36 16.758 1.026 -4.592 251 HB1 ALA 36 1HB ALA 36 16.678 -0.688 -2.597 252 HB2 ALA 36 2HB ALA 36 15.238 -1.259 -3.442 253 HB3 ALA 36 3HB ALA 36 16.796 -1.238 -4.269 254 H ALA 37 H ALA 37 15.850 0.585 -6.566 255 HA ALA 37 HA ALA 37 13.069 -0.017 -6.888 256 HB1 ALA 37 1HB ALA 37 13.778 2.719 -6.696 257 HB2 ALA 37 2HB ALA 37 13.341 2.391 -8.374 258 HB3 ALA 37 3HB ALA 37 12.206 2.016 -7.077 259 HA PRO 38 HA PRO 38 11.713 0.994 -8.852 260 HB2 PRO 38 1HB PRO 38 10.362 -0.730 -10.456 261 HB3 PRO 38 2HB PRO 38 11.132 0.742 -11.061 262 HG2 PRO 38 1HG PRO 38 12.123 -2.082 -11.135 263 HG3 PRO 38 2HG PRO 38 12.178 -0.843 -12.403 264 HD2 PRO 38 1HD PRO 38 14.321 -1.447 -10.862 265 HD3 PRO 38 2HD PRO 38 14.027 0.187 -11.491 266 H VAL 39 H VAL 39 9.924 0.131 -7.709 267 HA VAL 39 HA VAL 39 10.519 -2.411 -6.352 268 HB VAL 39 HB VAL 39 8.571 -0.325 -5.391 269 HG11 VAL 39 1HG1 VAL 39 10.048 -2.563 -4.012 270 HG12 VAL 39 2HG1 VAL 39 9.002 -1.391 -3.208 271 HG13 VAL 39 3HG1 VAL 39 8.327 -2.513 -4.389 272 HG21 VAL 39 1HG2 VAL 39 10.667 0.819 -5.585 273 HG22 VAL 39 2HG2 VAL 39 10.401 0.445 -3.882 274 HG23 VAL 39 3HG2 VAL 39 11.526 -0.525 -4.833 275 H LYS 40 H LYS 40 8.796 -3.874 -5.898 276 HA LYS 40 HA LYS 40 6.608 -3.707 -7.860 277 HB2 LYS 40 1HB LYS 40 7.974 -5.613 -8.308 278 HB3 LYS 40 2HB LYS 40 7.994 -6.079 -6.612 279 HG2 LYS 40 1HG LYS 40 5.859 -6.937 -6.682 280 HG3 LYS 40 2HG LYS 40 5.398 -5.959 -8.077 281 HD2 LYS 40 1HD LYS 40 7.291 -7.385 -9.250 282 HD3 LYS 40 2HD LYS 40 6.903 -8.525 -7.959 283 HE2 LYS 40 1HE LYS 40 5.435 -9.211 -9.581 284 HE3 LYS 40 2HE LYS 40 4.435 -8.047 -8.713 285 HZ1 LYS 40 1HZ LYS 40 5.479 -7.936 -11.402 286 HZ2 LYS 40 2HZ LYS 40 5.651 -6.494 -10.536 287 HZ3 LYS 40 3HZ LYS 40 4.119 -7.182 -10.737 288 H TRP 41 H TRP 41 4.521 -3.875 -7.215 289 HA TRP 41 HA TRP 41 4.054 -4.077 -4.315 290 HB2 TRP 41 1HB TRP 41 2.785 -2.438 -6.465 291 HB3 TRP 41 2HB TRP 41 1.797 -2.934 -5.094 292 HD1 TRP 41 HD TRP 41 5.052 -0.966 -5.810 293 HE1 TRP 41 1HE TRP 41 5.359 0.771 -3.936 294 HE3 TRP 41 3HE TRP 41 1.116 -2.285 -2.825 295 HZ2 TRP 41 2HZ TRP 41 4.101 1.487 -1.513 296 HZ3 TRP 41 3HZ TRP 41 0.737 -1.024 -0.747 297 HH2 TRP 41 HH TRP 41 2.200 0.822 -0.105 298 H CYS 42 H CYS 42 1.973 -5.031 -3.663 299 HA CYS 42 HA CYS 42 0.657 -6.776 -5.558 300 HB2 CYS 42 1HB CYS 42 2.522 -7.785 -3.455 301 HB3 CYS 42 2HB CYS 42 1.067 -8.713 -3.799 302 HG CYS 42 HG CYS 42 3.360 -7.859 -6.189 303 H TYR 43 H TYR 43 -1.421 -7.153 -5.007 304 HA TYR 43 HA TYR 43 -2.260 -6.503 -2.264 305 HB2 TYR 43 1HB TYR 43 -2.922 -4.576 -3.433 306 HB3 TYR 43 2HB TYR 43 -3.401 -5.493 -4.857 307 HD1 TYR 43 2HD TYR 43 -4.293 -5.786 -1.237 308 HD2 TYR 43 1HD TYR 43 -5.662 -5.212 -5.225 309 HE1 TYR 43 2HE TYR 43 -6.619 -5.805 -0.436 310 HE2 TYR 43 1HE TYR 43 -7.991 -5.228 -4.435 311 HH TYR 43 HH TYR 43 -9.261 -4.889 -2.444 312 H GLY 44 H GLY 44 -2.771 -8.483 -1.516 313 HA2 GLY 44 1HA GLY 44 -3.939 -10.441 -1.256 314 HA3 GLY 44 2HA GLY 44 -5.149 -9.743 -2.322 315 H ASN 45 H ASN 45 -4.847 -9.986 -4.635 316 HA ASN 45 HA ASN 45 -3.130 -12.269 -5.346 317 HB2 ASN 45 1HB ASN 45 -5.859 -11.847 -6.554 318 HB3 ASN 45 2HB ASN 45 -4.848 -13.289 -6.612 319 HD21 ASN 45 1HD2 ASN 45 -6.871 -11.295 -4.566 320 HD22 ASN 45 2HD2 ASN 45 -7.209 -12.513 -3.389 321 H ASN 46 H ASN 46 -5.110 -9.630 -6.693 322 HA ASN 46 HA ASN 46 -3.754 -9.578 -9.187 323 HB2 ASN 46 1HB ASN 46 -5.359 -7.362 -7.897 324 HB3 ASN 46 2HB ASN 46 -4.981 -7.527 -9.609 325 HD21 ASN 46 1HD2 ASN 46 -7.570 -7.268 -8.571 326 HD22 ASN 46 2HD2 ASN 46 -8.434 -8.727 -8.903 327 H VAL 47 H VAL 47 -2.141 -8.245 -9.941 328 HA VAL 47 HA VAL 47 -0.377 -7.148 -7.916 329 HB VAL 47 HB VAL 47 -0.066 -7.464 -10.901 330 HG11 VAL 47 1HG1 VAL 47 2.021 -6.511 -8.946 331 HG12 VAL 47 2HG1 VAL 47 2.185 -6.673 -10.696 332 HG13 VAL 47 3HG1 VAL 47 1.109 -5.449 -10.019 333 HG21 VAL 47 1HG2 VAL 47 1.925 -8.831 -9.472 334 HG22 VAL 47 2HG2 VAL 47 0.406 -9.174 -8.645 335 HG23 VAL 47 3HG2 VAL 47 0.572 -9.525 -10.365 336 H LEU 48 H LEU 48 -0.421 -5.096 -7.307 337 HA LEU 48 HA LEU 48 -2.085 -3.160 -8.527 338 HB2 LEU 48 1HB LEU 48 0.136 -2.867 -6.512 339 HB3 LEU 48 2HB LEU 48 -0.965 -1.571 -6.975 340 HG LEU 48 HG LEU 48 -1.769 -4.146 -5.623 341 HD11 LEU 48 1HD1 LEU 48 -2.271 -1.768 -4.114 342 HD12 LEU 48 2HD1 LEU 48 -0.563 -1.852 -4.543 343 HD13 LEU 48 3HD1 LEU 48 -1.321 -3.188 -3.677 344 HD21 LEU 48 1HD2 LEU 48 -3.260 -1.960 -6.893 345 HD22 LEU 48 2HD2 LEU 48 -3.802 -2.381 -5.268 346 HD23 LEU 48 3HD2 LEU 48 -3.754 -3.614 -6.530 347 H ARG 49 H ARG 49 -1.663 -1.532 -9.933 348 HA ARG 49 HA ARG 49 1.103 -1.107 -10.803 349 HB2 ARG 49 1HB ARG 49 -1.184 -1.477 -12.742 350 HB3 ARG 49 2HB ARG 49 0.511 -1.227 -13.139 351 HG2 ARG 49 1HG ARG 49 1.103 -3.379 -12.309 352 HG3 ARG 49 2HG ARG 49 -0.506 -3.617 -11.623 353 HD2 ARG 49 1HD ARG 49 -1.458 -4.058 -13.655 354 HD3 ARG 49 2HD ARG 49 -0.291 -3.075 -14.537 355 HE ARG 49 HE ARG 49 0.932 -5.373 -13.389 356 HH11 ARG 49 2HH1 ARG 49 -1.050 -4.305 -16.044 357 HH12 ARG 49 1HH1 ARG 49 -0.552 -5.585 -17.101 358 HH21 ARG 49 2HH2 ARG 49 1.595 -7.063 -14.770 359 HH22 ARG 49 1HH2 ARG 49 0.952 -7.153 -16.375 360 HA PRO 50 HA PRO 50 0.027 3.151 -10.674 361 HB2 PRO 50 1HB PRO 50 1.768 4.151 -12.502 362 HB3 PRO 50 2HB PRO 50 2.271 3.587 -10.904 363 HG2 PRO 50 1HG PRO 50 2.409 2.176 -13.540 364 HG3 PRO 50 2HG PRO 50 3.621 2.253 -12.248 365 HD2 PRO 50 1HD PRO 50 1.997 0.115 -12.597 366 HD3 PRO 50 2HD PRO 50 2.574 0.625 -10.997 367 H GLY 51 H GLY 51 -1.219 4.678 -11.717 368 HA2 GLY 51 1HA GLY 51 -1.631 4.899 -14.472 369 HA3 GLY 51 2HA GLY 51 -2.859 3.810 -13.843 370 H ASP 52 H ASP 52 -4.700 4.928 -13.808 371 HA ASP 52 HA ASP 52 -4.673 7.724 -12.954 372 HB2 ASP 52 1HB ASP 52 -7.079 7.674 -13.707 373 HB3 ASP 52 2HB ASP 52 -5.896 7.361 -14.975 374 H LYS 53 H LYS 53 -6.081 4.604 -12.090 375 HA LYS 53 HA LYS 53 -7.580 5.649 -9.880 376 HB2 LYS 53 1HB LYS 53 -7.027 2.958 -11.023 377 HB3 LYS 53 2HB LYS 53 -7.519 3.032 -9.336 378 HG2 LYS 53 1HG LYS 53 -9.077 4.365 -11.530 379 HG3 LYS 53 2HG LYS 53 -9.352 2.691 -11.042 380 HD2 LYS 53 1HD LYS 53 -9.401 4.967 -9.077 381 HD3 LYS 53 2HD LYS 53 -10.836 4.467 -9.976 382 HE2 LYS 53 1HE LYS 53 -9.188 2.602 -8.278 383 HE3 LYS 53 2HE LYS 53 -10.607 3.464 -7.686 384 HZ1 LYS 53 1HZ LYS 53 -11.204 1.250 -8.376 385 HZ2 LYS 53 2HZ LYS 53 -10.552 1.503 -9.916 386 HZ3 LYS 53 3HZ LYS 53 -11.918 2.371 -9.423 387 H TYR 54 H TYR 54 -4.591 3.750 -10.199 388 HA TYR 54 HA TYR 54 -4.034 4.195 -7.357 389 HB2 TYR 54 1HB TYR 54 -2.546 2.435 -9.314 390 HB3 TYR 54 2HB TYR 54 -2.354 2.464 -7.565 391 HD1 TYR 54 2HD TYR 54 -4.739 1.633 -10.280 392 HD2 TYR 54 1HD TYR 54 -3.730 1.148 -6.175 393 HE1 TYR 54 2HE TYR 54 -6.460 -0.111 -10.069 394 HE2 TYR 54 1HE TYR 54 -5.447 -0.599 -5.953 395 HH TYR 54 HH TYR 54 -7.031 -1.974 -8.674 396 H SER 55 H SER 55 -1.525 4.398 -6.970 397 HA SER 55 HA SER 55 -0.079 5.949 -8.896 398 HB2 SER 55 1HB SER 55 -1.700 7.625 -7.961 399 HB3 SER 55 2HB SER 55 -0.960 7.379 -6.379 400 HG SER 55 HG SER 55 0.397 8.848 -7.008 401 H LEU 56 H LEU 56 1.918 5.225 -8.652 402 HA LEU 56 HA LEU 56 2.881 4.627 -5.932 403 HB2 LEU 56 1HB LEU 56 3.516 3.344 -8.574 404 HB3 LEU 56 2HB LEU 56 4.521 3.114 -7.145 405 HG LEU 56 HG LEU 56 2.331 2.294 -6.031 406 HD11 LEU 56 1HD1 LEU 56 1.268 3.007 -8.465 407 HD12 LEU 56 2HD1 LEU 56 0.511 1.954 -7.271 408 HD13 LEU 56 3HD1 LEU 56 1.440 1.256 -8.598 409 HD21 LEU 56 1HD2 LEU 56 3.411 0.491 -8.169 410 HD22 LEU 56 2HD2 LEU 56 2.908 0.092 -6.526 411 HD23 LEU 56 3HD2 LEU 56 4.407 0.982 -6.798 412 H ARG 57 H ARG 57 4.636 5.667 -5.213 413 HA ARG 57 HA ARG 57 6.460 6.927 -7.114 414 HB2 ARG 57 1HB ARG 57 4.525 8.491 -6.215 415 HB3 ARG 57 2HB ARG 57 5.563 8.583 -4.798 416 HG2 ARG 57 1HG ARG 57 7.408 9.135 -6.583 417 HG3 ARG 57 2HG ARG 57 6.010 9.613 -7.549 418 HD2 ARG 57 1HD ARG 57 5.378 11.270 -6.021 419 HD3 ARG 57 2HD ARG 57 6.377 10.590 -4.737 420 HE ARG 57 HE ARG 57 8.043 11.366 -6.851 421 HH11 ARG 57 2HH1 ARG 57 5.977 12.780 -4.431 422 HH12 ARG 57 1HH1 ARG 57 6.879 14.256 -4.337 423 HH21 ARG 57 2HH2 ARG 57 9.238 13.305 -6.736 424 HH22 ARG 57 1HH2 ARG 57 8.733 14.555 -5.649 425 H GLN 58 H GLN 58 8.541 6.914 -6.452 426 HA GLN 58 HA GLN 58 9.067 5.845 -3.763 427 HB2 GLN 58 1HB GLN 58 9.873 4.386 -5.508 428 HB3 GLN 58 2HB GLN 58 10.707 5.719 -6.297 429 HG2 GLN 58 1HG GLN 58 12.452 4.725 -5.229 430 HG3 GLN 58 2HG GLN 58 11.953 5.882 -3.995 431 HE21 GLN 58 1HE2 GLN 58 12.911 2.818 -4.433 432 HE22 GLN 58 2HE2 GLN 58 12.143 2.056 -3.087 433 H GLU 59 H GLU 59 10.127 7.043 -2.319 434 HA GLU 59 HA GLU 59 11.668 9.361 -3.267 435 HB2 GLU 59 1HB GLU 59 9.267 9.777 -2.243 436 HB3 GLU 59 2HB GLU 59 10.122 9.574 -0.721 437 HG2 GLU 59 1HG GLU 59 9.881 11.933 -1.499 438 HG3 GLU 59 2HG GLU 59 11.534 11.421 -1.162 439 H GLY 60 H GLY 60 13.591 8.207 -2.925 440 HA2 GLY 60 1HA GLY 60 15.279 7.187 -1.705 441 HA3 GLY 60 2HA GLY 60 15.019 8.587 -0.675 442 H ALA 61 H ALA 61 14.212 5.206 -1.178 443 HA ALA 61 HA ALA 61 13.529 3.565 0.243 444 HB1 ALA 61 1HB ALA 61 15.122 5.390 1.905 445 HB2 ALA 61 2HB ALA 61 14.038 4.319 2.794 446 HB3 ALA 61 3HB ALA 61 15.241 3.643 1.697 447 H MET 62 H MET 62 11.547 5.348 -0.587 448 HA MET 62 HA MET 62 9.646 5.024 1.586 449 HB2 MET 62 1HB MET 62 10.767 7.391 1.600 450 HB3 MET 62 2HB MET 62 9.702 7.698 0.235 451 HG2 MET 62 1HG MET 62 7.777 7.067 1.654 452 HG3 MET 62 2HG MET 62 8.881 6.903 3.017 453 HE1 MET 62 1HE MET 62 9.304 8.639 4.613 454 HE2 MET 62 2HE MET 62 8.476 10.196 4.576 455 HE3 MET 62 3HE MET 62 7.544 8.699 4.528 456 H LEU 63 H LEU 63 7.583 4.660 0.889 457 HA LEU 63 HA LEU 63 7.118 4.825 -2.016 458 HB2 LEU 63 1HB LEU 63 6.011 2.724 -0.164 459 HB3 LEU 63 2HB LEU 63 5.842 2.793 -1.917 460 HG LEU 63 HG LEU 63 7.437 1.078 -1.243 461 HD11 LEU 63 1HD1 LEU 63 7.926 1.898 -3.357 462 HD12 LEU 63 2HD1 LEU 63 9.462 2.053 -2.505 463 HD13 LEU 63 3HD1 LEU 63 8.438 3.469 -2.740 464 HD21 LEU 63 1HD2 LEU 63 9.108 1.374 0.229 465 HD22 LEU 63 2HD2 LEU 63 8.151 2.756 0.762 466 HD23 LEU 63 3HD2 LEU 63 9.487 2.991 -0.366 467 H GLU 64 H GLU 64 4.824 4.961 -2.631 468 HA GLU 64 HA GLU 64 2.966 5.862 -0.597 469 HB2 GLU 64 1HB GLU 64 4.448 7.834 -1.478 470 HB3 GLU 64 2HB GLU 64 3.411 7.732 -2.894 471 HG2 GLU 64 1HG GLU 64 1.447 8.075 -1.477 472 HG3 GLU 64 2HG GLU 64 2.495 8.195 -0.065 473 H LEU 65 H LEU 65 1.323 4.549 -1.077 474 HA LEU 65 HA LEU 65 0.523 4.279 -3.897 475 HB2 LEU 65 1HB LEU 65 1.109 2.161 -2.970 476 HB3 LEU 65 2HB LEU 65 0.127 2.455 -1.536 477 HG LEU 65 HG LEU 65 -1.830 2.534 -3.297 478 HD11 LEU 65 1HD1 LEU 65 -1.493 1.599 -5.315 479 HD12 LEU 65 2HD1 LEU 65 -0.319 0.436 -4.700 480 HD13 LEU 65 3HD1 LEU 65 0.179 2.092 -5.044 481 HD21 LEU 65 1HD2 LEU 65 -0.715 0.572 -1.578 482 HD22 LEU 65 2HD2 LEU 65 -1.264 -0.238 -3.045 483 HD23 LEU 65 3HD2 LEU 65 -2.388 0.748 -2.109 484 H VAL 66 H VAL 66 -1.094 5.609 -4.378 485 HA VAL 66 HA VAL 66 -3.087 6.265 -2.335 486 HB VAL 66 HB VAL 66 -2.628 7.500 -5.054 487 HG11 VAL 66 1HG1 VAL 66 -4.945 7.703 -4.413 488 HG12 VAL 66 2HG1 VAL 66 -4.485 8.289 -2.813 489 HG13 VAL 66 3HG1 VAL 66 -4.152 9.269 -4.241 490 HG21 VAL 66 1HG2 VAL 66 -1.584 8.072 -2.347 491 HG22 VAL 66 2HG2 VAL 66 -0.848 8.341 -3.927 492 HG23 VAL 66 3HG2 VAL 66 -2.068 9.460 -3.320 493 H VAL 67 H VAL 67 -4.955 5.219 -2.301 494 HA VAL 67 HA VAL 67 -5.933 3.995 -4.799 495 HB VAL 67 HB VAL 67 -6.520 3.085 -1.979 496 HG11 VAL 67 1HG1 VAL 67 -6.980 1.450 -4.432 497 HG12 VAL 67 2HG1 VAL 67 -7.785 1.379 -2.863 498 HG13 VAL 67 3HG1 VAL 67 -8.153 2.689 -3.985 499 HG21 VAL 67 1HG2 VAL 67 -4.640 1.902 -2.002 500 HG22 VAL 67 2HG2 VAL 67 -5.071 1.179 -3.552 501 HG23 VAL 67 3HG2 VAL 67 -4.187 2.704 -3.506 502 H ARG 68 H ARG 68 -7.750 4.808 -5.594 503 HA ARG 68 HA ARG 68 -9.431 6.469 -3.853 504 HB2 ARG 68 1HB ARG 68 -9.311 6.322 -6.871 505 HB3 ARG 68 2HB ARG 68 -10.333 7.411 -5.943 506 HG2 ARG 68 1HG ARG 68 -8.424 8.573 -5.084 507 HG3 ARG 68 2HG ARG 68 -7.328 7.396 -5.812 508 HD2 ARG 68 1HD ARG 68 -7.889 8.109 -8.008 509 HD3 ARG 68 2HD ARG 68 -9.238 9.078 -7.418 510 HE ARG 68 HE ARG 68 -6.922 10.046 -6.217 511 HH11 ARG 68 2HH1 ARG 68 -8.296 9.776 -9.404 512 HH12 ARG 68 1HH1 ARG 68 -7.496 11.188 -10.011 513 HH21 ARG 68 2HH2 ARG 68 -5.863 11.907 -7.004 514 HH22 ARG 68 1HH2 ARG 68 -6.111 12.398 -8.645 515 H ASN 69 H ASN 69 -11.814 6.436 -4.429 516 HA ASN 69 HA ASN 69 -13.790 5.309 -4.428 517 HB2 ASN 69 1HB ASN 69 -12.209 3.902 -6.540 518 HB3 ASN 69 2HB ASN 69 -13.752 3.216 -6.041 519 HD21 ASN 69 1HD2 ASN 69 -12.618 4.731 -8.476 520 HD22 ASN 69 2HD2 ASN 69 -13.857 5.884 -8.826 521 H LEU 70 H LEU 70 -12.160 4.747 -2.283 522 HA LEU 70 HA LEU 70 -11.543 2.119 -1.723 523 HB2 LEU 70 1HB LEU 70 -12.506 4.364 0.016 524 HB3 LEU 70 2HB LEU 70 -12.139 2.777 0.690 525 HG LEU 70 HG LEU 70 -10.215 4.640 -0.699 526 HD11 LEU 70 1HD1 LEU 70 -10.422 5.484 1.430 527 HD12 LEU 70 2HD1 LEU 70 -9.114 4.321 1.643 528 HD13 LEU 70 3HD1 LEU 70 -10.753 3.904 2.142 529 HD21 LEU 70 1HD2 LEU 70 -9.338 2.620 -1.315 530 HD22 LEU 70 2HD2 LEU 70 -10.028 1.771 0.069 531 HD23 LEU 70 3HD2 LEU 70 -8.607 2.796 0.280 532 H ARG 71 H ARG 71 -12.773 0.828 0.072 533 HA ARG 71 HA ARG 71 -15.634 0.910 -0.038 534 HB2 ARG 71 1HB ARG 71 -14.151 -1.256 -1.529 535 HB3 ARG 71 2HB ARG 71 -15.830 -1.409 -1.028 536 HG2 ARG 71 1HG ARG 71 -16.259 0.726 -2.331 537 HG3 ARG 71 2HG ARG 71 -14.650 0.499 -3.020 538 HD2 ARG 71 1HD ARG 71 -15.259 -1.452 -4.121 539 HD3 ARG 71 2HD ARG 71 -16.645 -1.730 -3.067 540 HE ARG 71 HE ARG 71 -17.912 -0.402 -4.438 541 HH11 ARG 71 2HH1 ARG 71 -14.542 0.087 -5.162 542 HH12 ARG 71 1HH1 ARG 71 -14.850 1.048 -6.570 543 HH21 ARG 71 2HH2 ARG 71 -18.330 0.862 -6.290 544 HH22 ARG 71 1HH2 ARG 71 -17.005 1.489 -7.210 545 HA PRO 72 HA PRO 72 -15.034 -1.100 3.830 546 HB2 PRO 72 1HB PRO 72 -17.534 -2.089 4.208 547 HB3 PRO 72 2HB PRO 72 -17.145 -0.372 4.368 548 HG2 PRO 72 1HG PRO 72 -18.378 -1.828 2.061 549 HG3 PRO 72 2HG PRO 72 -18.822 -0.260 2.760 550 HD2 PRO 72 1HD PRO 72 -17.345 -0.482 0.502 551 HD3 PRO 72 2HD PRO 72 -17.135 0.853 1.652 552 H GLN 73 H GLN 73 -15.521 -2.728 0.948 553 HA GLN 73 HA GLN 73 -15.524 -5.377 2.204 554 HB2 GLN 73 1HB GLN 73 -15.782 -4.681 -0.725 555 HB3 GLN 73 2HB GLN 73 -16.041 -6.259 0.008 556 HG2 GLN 73 1HG GLN 73 -17.685 -3.824 0.648 557 HG3 GLN 73 2HG GLN 73 -18.119 -5.015 -0.578 558 HE21 GLN 73 1HE2 GLN 73 -19.874 -4.565 1.389 559 HE22 GLN 73 2HE2 GLN 73 -19.918 -5.890 2.496 560 H ASP 74 H ASP 74 -13.502 -3.140 0.537 561 HA ASP 74 HA ASP 74 -11.556 -4.966 -0.427 562 HB2 ASP 74 1HB ASP 74 -11.672 -2.014 0.016 563 HB3 ASP 74 2HB ASP 74 -10.098 -2.763 -0.239 564 H SER 75 H SER 75 -12.094 -3.402 2.646 565 HA SER 75 HA SER 75 -9.753 -3.413 3.951 566 HB2 SER 75 1HB SER 75 -12.333 -4.585 5.018 567 HB3 SER 75 2HB SER 75 -10.962 -4.088 6.011 568 HG SER 75 HG SER 75 -12.726 -2.514 5.716 569 H GLY 76 H GLY 76 -8.163 -4.837 3.452 570 HA2 GLY 76 1HA GLY 76 -8.548 -7.587 4.385 571 HA3 GLY 76 2HA GLY 76 -8.015 -7.354 2.727 572 H ARG 77 H ARG 77 -5.971 -8.100 2.770 573 HA ARG 77 HA ARG 77 -4.113 -6.766 4.623 574 HB2 ARG 77 1HB ARG 77 -4.454 -9.065 5.372 575 HB3 ARG 77 2HB ARG 77 -4.058 -9.665 3.767 576 HG2 ARG 77 1HG ARG 77 -1.785 -8.758 4.011 577 HG3 ARG 77 2HG ARG 77 -2.194 -8.226 5.644 578 HD2 ARG 77 1HD ARG 77 -1.020 -10.310 5.795 579 HD3 ARG 77 2HD ARG 77 -2.708 -10.588 6.220 580 HE ARG 77 HE ARG 77 -2.495 -11.113 3.518 581 HH11 ARG 77 2HH1 ARG 77 -1.122 -12.342 6.471 582 HH12 ARG 77 1HH1 ARG 77 -0.909 -13.948 5.857 583 HH21 ARG 77 2HH2 ARG 77 -2.220 -13.223 2.697 584 HH22 ARG 77 1HH2 ARG 77 -1.533 -14.448 3.710 585 H TYR 78 H TYR 78 -2.824 -5.496 3.474 586 HA TYR 78 HA TYR 78 -2.241 -6.132 0.691 587 HB2 TYR 78 1HB TYR 78 -1.758 -3.690 2.394 588 HB3 TYR 78 2HB TYR 78 -1.108 -3.850 0.766 589 HD1 TYR 78 2HD TYR 78 -4.396 -4.328 2.492 590 HD2 TYR 78 1HD TYR 78 -2.315 -2.825 -0.901 591 HE1 TYR 78 2HE TYR 78 -6.517 -3.491 1.570 592 HE2 TYR 78 1HE TYR 78 -4.430 -1.982 -1.832 593 HH TYR 78 HH TYR 78 -7.474 -2.277 -0.037 594 H SER 79 H SER 79 -0.027 -5.937 -0.123 595 HA SER 79 HA SER 79 2.136 -6.271 1.771 596 HB2 SER 79 1HB SER 79 1.260 -8.512 -0.057 597 HB3 SER 79 2HB SER 79 2.859 -8.441 0.682 598 HG SER 79 HG SER 79 0.687 -9.422 1.742 599 H CYS 80 H CYS 80 4.256 -6.585 0.584 600 HA CYS 80 HA CYS 80 4.243 -5.583 -2.153 601 HB2 CYS 80 1HB CYS 80 4.370 -3.670 -0.382 602 HB3 CYS 80 2HB CYS 80 6.029 -4.216 -0.166 603 HG CYS 80 HG CYS 80 7.021 -3.002 -2.201 604 H SER 81 H SER 81 5.720 -6.597 -3.343 605 HA SER 81 HA SER 81 7.685 -8.276 -1.981 606 HB2 SER 81 1HB SER 81 6.674 -8.214 -4.828 607 HB3 SER 81 2HB SER 81 8.005 -9.245 -4.303 608 HG SER 81 HG SER 81 5.314 -9.293 -3.414 609 H PHE 82 H PHE 82 9.765 -7.760 -1.872 610 HA PHE 82 HA PHE 82 11.133 -6.369 -3.961 611 HB2 PHE 82 1HB PHE 82 10.307 -4.354 -3.122 612 HB3 PHE 82 2HB PHE 82 10.365 -4.913 -1.453 613 HD1 PHE 82 1HD PHE 82 12.755 -4.409 -4.279 614 HD2 PHE 82 2HD PHE 82 11.944 -3.926 -0.128 615 HE1 PHE 82 1HE PHE 82 14.929 -3.294 -3.988 616 HE2 PHE 82 2HE PHE 82 14.116 -2.809 0.169 617 HZ PHE 82 HZ PHE 82 15.611 -2.491 -1.762 618 H GLY 83 H GLY 83 13.270 -6.821 -3.915 619 HA2 GLY 83 1HA GLY 83 15.180 -7.940 -3.289 620 HA3 GLY 83 2HA GLY 83 14.939 -7.123 -1.752 621 H ASP 84 H ASP 84 12.939 -9.621 -3.271 622 HA ASP 84 HA ASP 84 12.304 -11.693 -2.578 623 HB2 ASP 84 1HB ASP 84 14.955 -11.606 -1.123 624 HB3 ASP 84 2HB ASP 84 13.962 -13.047 -1.319 625 H GLN 85 H GLN 85 11.668 -9.254 -1.008 626 HA GLN 85 HA GLN 85 11.017 -10.588 1.536 627 HB2 GLN 85 1HB GLN 85 11.742 -7.690 1.086 628 HB3 GLN 85 2HB GLN 85 11.098 -8.325 2.594 629 HG2 GLN 85 1HG GLN 85 13.532 -9.580 1.435 630 HG3 GLN 85 2HG GLN 85 13.674 -8.016 2.235 631 HE21 GLN 85 1HE2 GLN 85 12.672 -7.905 4.430 632 HE22 GLN 85 2HE2 GLN 85 12.866 -9.278 5.460 633 H THR 86 H THR 86 8.941 -10.489 2.211 634 HA THR 86 HA THR 86 7.075 -8.859 0.612 635 HB THR 86 HB THR 86 6.481 -11.590 1.767 636 HG1 THR 86 1HG THR 86 6.343 -11.883 -0.729 637 HG21 THR 86 1HG2 THR 86 4.896 -9.571 0.231 638 HG22 THR 86 2HG2 THR 86 4.423 -10.545 1.624 639 HG23 THR 86 3HG2 THR 86 4.551 -11.289 0.030 640 H THR 87 H THR 87 6.115 -7.361 1.801 641 HA THR 87 HA THR 87 5.951 -7.701 4.700 642 HB THR 87 HB THR 87 6.891 -5.595 3.966 643 HG1 THR 87 1HG THR 87 5.101 -4.191 4.884 644 HG21 THR 87 1HG2 THR 87 5.826 -5.483 1.755 645 HG22 THR 87 2HG2 THR 87 5.602 -3.985 2.658 646 HG23 THR 87 3HG2 THR 87 4.277 -5.141 2.523 647 H SER 88 H SER 88 3.964 -7.031 5.818 648 HA SER 88 HA SER 88 1.518 -7.347 4.234 649 HB2 SER 88 1HB SER 88 0.596 -8.952 5.834 650 HB3 SER 88 2HB SER 88 2.089 -9.577 5.135 651 HG SER 88 HG SER 88 1.500 -9.039 7.719 652 H ALA 89 H ALA 89 -0.190 -6.156 4.936 653 HA ALA 89 HA ALA 89 -0.070 -4.885 7.562 654 HB1 ALA 89 1HB ALA 89 0.630 -2.939 6.753 655 HB2 ALA 89 2HB ALA 89 0.510 -3.520 5.092 656 HB3 ALA 89 3HB ALA 89 -0.901 -2.819 5.885 657 H THR 90 H THR 90 -2.148 -3.385 7.729 658 HA THR 90 HA THR 90 -4.422 -4.826 6.537 659 HB THR 90 HB THR 90 -4.425 -3.812 9.379 660 HG1 THR 90 1HG THR 90 -4.012 -6.489 8.483 661 HG21 THR 90 1HG2 THR 90 -6.314 -5.299 7.627 662 HG22 THR 90 2HG2 THR 90 -6.636 -4.069 8.850 663 HG23 THR 90 3HG2 THR 90 -6.268 -5.723 9.338 664 H LEU 91 H LEU 91 -6.330 -3.609 6.240 665 HA LEU 91 HA LEU 91 -6.091 -0.710 6.637 666 HB2 LEU 91 1HB LEU 91 -5.471 -1.407 4.295 667 HB3 LEU 91 2HB LEU 91 -7.138 -1.946 4.100 668 HG LEU 91 HG LEU 91 -7.894 0.377 4.497 669 HD11 LEU 91 1HD1 LEU 91 -5.002 0.752 4.961 670 HD12 LEU 91 2HD1 LEU 91 -6.386 1.586 5.666 671 HD13 LEU 91 3HD1 LEU 91 -5.827 2.017 4.050 672 HD21 LEU 91 1HD2 LEU 91 -7.807 -0.160 2.244 673 HD22 LEU 91 2HD2 LEU 91 -6.048 -0.296 2.238 674 HD23 LEU 91 3HD2 LEU 91 -6.810 1.293 2.333 675 H THR 92 H THR 92 -7.693 -0.245 7.994 676 HA THR 92 HA THR 92 -10.206 -1.713 7.867 677 HB THR 92 HB THR 92 -9.154 0.321 9.836 678 HG1 THR 92 1HG THR 92 -9.493 -1.667 11.197 679 HG21 THR 92 1HG2 THR 92 -11.868 -0.938 9.584 680 HG22 THR 92 2HG2 THR 92 -11.451 0.751 9.876 681 HG23 THR 92 3HG2 THR 92 -11.235 -0.445 11.154 682 H VAL 93 H VAL 93 -11.890 -0.993 6.754 683 HA VAL 93 HA VAL 93 -12.090 1.899 6.213 684 HB VAL 93 HB VAL 93 -12.993 -0.374 4.439 685 HG11 VAL 93 1HG1 VAL 93 -13.638 1.326 2.845 686 HG12 VAL 93 2HG1 VAL 93 -14.487 1.590 4.370 687 HG13 VAL 93 3HG1 VAL 93 -13.104 2.599 3.942 688 HG21 VAL 93 1HG2 VAL 93 -10.460 0.689 4.731 689 HG22 VAL 93 2HG2 VAL 93 -11.055 -0.219 3.341 690 HG23 VAL 93 3HG2 VAL 93 -11.112 1.543 3.332 691 H THR 94 H THR 94 -13.703 2.776 7.317 692 HA THR 94 HA THR 94 -15.891 1.177 8.314 693 HB THR 94 HB THR 94 -15.674 4.176 8.515 694 HG1 THR 94 1HG THR 94 -14.188 2.173 9.789 695 HG21 THR 94 1HG2 THR 94 -17.741 3.547 9.355 696 HG22 THR 94 2HG2 THR 94 -16.734 3.517 10.803 697 HG23 THR 94 3HG2 THR 94 -17.136 2.012 9.977 698 H ALA 95 H ALA 95 -17.907 1.054 7.523 699 HA ALA 95 HA ALA 95 -18.460 2.064 4.913 700 HB1 ALA 95 1HB ALA 95 -19.458 0.014 5.322 701 HB2 ALA 95 2HB ALA 95 -20.015 0.489 6.927 702 HB3 ALA 95 3HB ALA 95 -20.808 1.137 5.491 703 H LEU 96 H LEU 96 -19.549 3.836 4.293 704 HA LEU 96 HA LEU 96 -19.827 6.092 5.735 705 HB2 LEU 96 1HB LEU 96 -21.567 5.047 3.521 706 HB3 LEU 96 2HB LEU 96 -21.784 6.659 4.200 707 HG LEU 96 HG LEU 96 -19.172 5.753 3.017 708 HD11 LEU 96 1HD1 LEU 96 -20.835 7.519 1.389 709 HD12 LEU 96 2HD1 LEU 96 -21.479 5.887 1.562 710 HD13 LEU 96 3HD1 LEU 96 -19.854 6.129 0.922 711 HD21 LEU 96 1HD2 LEU 96 -18.514 7.716 3.823 712 HD22 LEU 96 2HD2 LEU 96 -20.158 8.139 4.303 713 HD23 LEU 96 3HD2 LEU 96 -19.600 8.485 2.665 714 HA PRO 97 HA PRO 97 -22.932 5.516 8.798 715 HB2 PRO 97 1HB PRO 97 -23.674 8.101 9.171 716 HB3 PRO 97 2HB PRO 97 -22.139 7.448 9.755 717 HG2 PRO 97 1HG PRO 97 -22.699 9.054 7.292 718 HG3 PRO 97 2HG PRO 97 -21.360 9.204 8.445 719 HD2 PRO 97 1HD PRO 97 -21.095 7.950 6.060 720 HD3 PRO 97 2HD PRO 97 -20.188 7.457 7.504 721 H SER 98 H SER 98 -25.244 6.148 9.273 722 HA SER 98 HA SER 98 -26.765 6.351 6.757 723 HB2 SER 98 1HB SER 98 -26.938 4.119 7.788 724 HB3 SER 98 2HB SER 98 -27.524 4.855 9.279 725 HG SER 98 HG SER 98 -29.435 4.918 8.429 726 H GLY 99 H GLY 99 -26.698 7.173 10.195 727 HA2 GLY 99 1HA GLY 99 -28.023 9.673 9.672 728 HA3 GLY 99 2HA GLY 99 -29.034 8.533 10.547 729 HA PRO 100 HA PRO 100 -26.702 10.952 13.701 730 HB2 PRO 100 1HB PRO 100 -28.807 11.177 15.401 731 HB3 PRO 100 2HB PRO 100 -28.529 12.298 14.062 732 HG2 PRO 100 1HG PRO 100 -30.387 9.955 14.218 733 HG3 PRO 100 2HG PRO 100 -30.676 11.570 13.543 734 HD2 PRO 100 1HD PRO 100 -30.101 9.425 11.994 735 HD3 PRO 100 2HD PRO 100 -29.601 11.074 11.566 736 H SER 101 H SER 101 -29.018 8.297 14.153 737 HA SER 101 HA SER 101 -28.565 7.345 16.599 738 HB2 SER 101 1HB SER 101 -28.387 5.536 14.180 739 HB3 SER 101 2HB SER 101 -28.938 5.100 15.798 740 HG SER 101 HG SER 101 -30.742 6.378 15.508 741 H SER 102 H SER 102 -26.451 6.362 13.896 742 HA SER 102 HA SER 102 -24.397 5.570 15.805 743 HB2 SER 102 1HB SER 102 -25.152 4.300 13.619 744 HB3 SER 102 2HB SER 102 -24.013 5.398 12.841 745 HG SER 102 HG SER 102 -23.533 3.395 14.756 746 H GLY 103 H GLY 103 -23.259 7.252 16.571 747 HA2 GLY 103 1HA GLY 103 -21.847 8.916 14.610 748 HA3 GLY 103 2HA GLY 103 -22.781 9.719 15.863 Start of MODEL 7 1 H1 GLY 1 H GLY 1 23.604 -17.775 -0.702 2 HA2 GLY 1 1HA GLY 1 24.405 -17.113 -3.056 3 HA3 GLY 1 2HA GLY 1 23.660 -15.572 -2.656 4 H SER 2 H SER 2 24.663 -14.189 -1.209 5 HA SER 2 HA SER 2 26.419 -13.178 -0.173 6 HB2 SER 2 1HB SER 2 26.030 -15.125 1.402 7 HB3 SER 2 2HB SER 2 27.343 -15.959 0.571 8 HG SER 2 HG SER 2 28.630 -14.038 1.106 9 H SER 3 H SER 3 26.717 -13.609 -2.897 10 HA SER 3 HA SER 3 29.440 -14.567 -3.309 11 HB2 SER 3 1HB SER 3 27.486 -15.093 -4.880 12 HB3 SER 3 2HB SER 3 27.615 -13.419 -5.419 13 HG SER 3 HG SER 3 28.877 -15.234 -6.523 14 H GLY 4 H GLY 4 27.540 -11.599 -3.787 15 HA2 GLY 4 1HA GLY 4 30.034 -10.109 -4.210 16 HA3 GLY 4 2HA GLY 4 28.415 -9.526 -4.568 17 H SER 5 H SER 5 27.615 -8.072 -3.214 18 HA SER 5 HA SER 5 28.999 -7.511 -0.738 19 HB2 SER 5 1HB SER 5 27.954 -5.826 -2.469 20 HB3 SER 5 2HB SER 5 26.477 -6.111 -1.549 21 HG SER 5 HG SER 5 28.573 -4.565 -0.923 22 H SER 6 H SER 6 27.936 -7.332 1.318 23 HA SER 6 HA SER 6 25.773 -9.304 1.617 24 HB2 SER 6 1HB SER 6 26.562 -9.693 3.858 25 HB3 SER 6 2HB SER 6 27.956 -9.758 2.781 26 HG SER 6 HG SER 6 27.602 -8.202 4.889 27 H GLY 7 H GLY 7 24.225 -8.896 3.400 28 HA2 GLY 7 1HA GLY 7 22.955 -7.470 4.765 29 HA3 GLY 7 2HA GLY 7 23.881 -6.104 4.162 30 HA PRO 8 HA PRO 8 20.479 -7.163 0.860 31 HB2 PRO 8 1HB PRO 8 18.442 -8.719 1.754 32 HB3 PRO 8 2HB PRO 8 19.887 -9.380 0.979 33 HG2 PRO 8 1HG PRO 8 19.222 -9.181 3.891 34 HG3 PRO 8 2HG PRO 8 19.948 -10.530 2.999 35 HD2 PRO 8 1HD PRO 8 21.416 -8.814 4.493 36 HD3 PRO 8 2HD PRO 8 22.047 -9.580 3.021 37 H VAL 9 H VAL 9 18.494 -6.072 0.528 38 HA VAL 9 HA VAL 9 17.940 -3.978 2.292 39 HB VAL 9 HB VAL 9 16.014 -5.072 0.242 40 HG11 VAL 9 1HG1 VAL 9 15.294 -3.287 1.915 41 HG12 VAL 9 2HG1 VAL 9 16.408 -2.211 1.069 42 HG13 VAL 9 3HG1 VAL 9 15.050 -2.932 0.206 43 HG21 VAL 9 1HG2 VAL 9 18.613 -4.306 -0.263 44 HG22 VAL 9 2HG2 VAL 9 17.298 -4.346 -1.437 45 HG23 VAL 9 3HG2 VAL 9 17.686 -2.844 -0.599 46 H ARG 10 H ARG 10 16.806 -3.871 4.111 47 HA ARG 10 HA ARG 10 14.987 -6.093 4.756 48 HB2 ARG 10 1HB ARG 10 16.821 -4.409 6.392 49 HB3 ARG 10 2HB ARG 10 15.334 -4.969 7.146 50 HG2 ARG 10 1HG ARG 10 15.947 -7.203 6.992 51 HG3 ARG 10 2HG ARG 10 17.149 -6.886 5.740 52 HD2 ARG 10 1HD ARG 10 18.561 -5.744 7.351 53 HD3 ARG 10 2HD ARG 10 17.343 -5.968 8.606 54 HE ARG 10 HE ARG 10 19.253 -7.896 7.691 55 HH11 ARG 10 2HH1 ARG 10 16.102 -7.479 9.113 56 HH12 ARG 10 1HH1 ARG 10 16.098 -9.034 9.877 57 HH21 ARG 10 2HH2 ARG 10 19.259 -9.946 8.692 58 HH22 ARG 10 1HH2 ARG 10 17.894 -10.436 9.638 59 H PHE 11 H PHE 11 13.335 -5.266 6.549 60 HA PHE 11 HA PHE 11 11.985 -2.941 5.356 61 HB2 PHE 11 1HB PHE 11 11.012 -5.496 6.532 62 HB3 PHE 11 2HB PHE 11 10.014 -4.065 6.769 63 HD1 PHE 11 2HD PHE 11 9.154 -2.830 4.784 64 HD2 PHE 11 1HD PHE 11 11.107 -6.597 4.452 65 HE1 PHE 11 2HE PHE 11 8.208 -3.119 2.532 66 HE2 PHE 11 1HE PHE 11 10.165 -6.891 2.198 67 HZ PHE 11 HZ PHE 11 8.712 -5.151 1.236 68 H GLN 12 H GLN 12 13.089 -1.384 6.592 69 HA GLN 12 HA GLN 12 13.294 -1.454 9.407 70 HB2 GLN 12 1HB GLN 12 14.734 -0.024 8.068 71 HB3 GLN 12 2HB GLN 12 13.344 0.890 7.499 72 HG2 GLN 12 1HG GLN 12 12.973 1.836 9.632 73 HG3 GLN 12 2HG GLN 12 14.102 0.721 10.399 74 HE21 GLN 12 1HE2 GLN 12 15.985 1.565 10.886 75 HE22 GLN 12 2HE2 GLN 12 16.762 2.875 10.071 76 H GLU 13 H GLU 13 11.130 0.485 7.332 77 HA GLU 13 HA GLU 13 9.192 0.498 9.552 78 HB2 GLU 13 1HB GLU 13 10.183 2.712 7.830 79 HB3 GLU 13 2HB GLU 13 8.481 2.730 8.271 80 HG2 GLU 13 1HG GLU 13 10.869 2.840 10.081 81 HG3 GLU 13 2HG GLU 13 9.593 4.039 9.876 82 H ALA 14 H ALA 14 8.775 -1.557 8.110 83 HA ALA 14 HA ALA 14 7.590 -1.447 5.621 84 HB1 ALA 14 1HB ALA 14 7.425 -3.629 5.976 85 HB2 ALA 14 2HB ALA 14 7.892 -3.371 7.658 86 HB3 ALA 14 3HB ALA 14 6.187 -3.366 7.205 87 H LEU 15 H LEU 15 5.089 -2.267 5.505 88 HA LEU 15 HA LEU 15 3.572 0.076 6.026 89 HB2 LEU 15 1HB LEU 15 2.659 -2.676 5.198 90 HB3 LEU 15 2HB LEU 15 1.675 -1.214 5.149 91 HG LEU 15 HG LEU 15 4.217 -1.488 3.565 92 HD11 LEU 15 1HD1 LEU 15 3.252 -2.833 2.092 93 HD12 LEU 15 2HD1 LEU 15 1.853 -1.766 1.971 94 HD13 LEU 15 3HD1 LEU 15 1.897 -3.025 3.205 95 HD21 LEU 15 1HD2 LEU 15 3.746 0.692 3.320 96 HD22 LEU 15 2HD2 LEU 15 2.079 0.498 3.862 97 HD23 LEU 15 3HD2 LEU 15 2.513 0.123 2.194 98 H LYS 16 H LYS 16 1.595 0.197 7.278 99 HA LYS 16 HA LYS 16 1.413 -1.698 9.506 100 HB2 LYS 16 1HB LYS 16 1.309 0.057 11.154 101 HB3 LYS 16 2HB LYS 16 2.795 0.241 10.231 102 HG2 LYS 16 1HG LYS 16 1.642 1.973 8.857 103 HG3 LYS 16 2HG LYS 16 0.272 1.859 9.964 104 HD2 LYS 16 1HD LYS 16 3.009 2.347 11.055 105 HD3 LYS 16 2HD LYS 16 2.113 3.681 10.325 106 HE2 LYS 16 1HE LYS 16 0.185 2.805 11.881 107 HE3 LYS 16 2HE LYS 16 1.526 2.114 12.793 108 HZ1 LYS 16 1HZ LYS 16 0.588 4.694 12.940 109 HZ2 LYS 16 2HZ LYS 16 2.048 4.819 12.095 110 HZ3 LYS 16 3HZ LYS 16 2.015 4.096 13.624 111 H ASP 17 H ASP 17 -0.619 -1.309 10.807 112 HA ASP 17 HA ASP 17 -2.862 -1.446 9.150 113 HB2 ASP 17 1HB ASP 17 -2.482 -2.179 11.650 114 HB3 ASP 17 2HB ASP 17 -3.147 -0.586 12.002 115 H LEU 18 H LEU 18 -4.412 -0.004 8.529 116 HA LEU 18 HA LEU 18 -3.971 2.816 9.258 117 HB2 LEU 18 1HB LEU 18 -4.658 1.624 6.583 118 HB3 LEU 18 2HB LEU 18 -4.863 3.335 6.949 119 HG LEU 18 HG LEU 18 -2.317 1.766 6.683 120 HD11 LEU 18 1HD1 LEU 18 -3.258 2.737 4.658 121 HD12 LEU 18 2HD1 LEU 18 -1.762 3.553 5.111 122 HD13 LEU 18 3HD1 LEU 18 -3.317 4.321 5.432 123 HD21 LEU 18 1HD2 LEU 18 -1.156 3.845 7.425 124 HD22 LEU 18 2HD2 LEU 18 -2.019 2.999 8.709 125 HD23 LEU 18 3HD2 LEU 18 -2.713 4.453 7.989 126 H GLU 19 H GLU 19 -5.793 4.117 9.502 127 HA GLU 19 HA GLU 19 -8.380 2.709 9.490 128 HB2 GLU 19 1HB GLU 19 -7.067 4.276 11.650 129 HB3 GLU 19 2HB GLU 19 -8.805 4.462 11.462 130 HG2 GLU 19 1HG GLU 19 -9.249 2.326 12.112 131 HG3 GLU 19 2HG GLU 19 -7.700 1.710 11.539 132 H VAL 20 H VAL 20 -9.590 3.592 7.955 133 HA VAL 20 HA VAL 20 -9.874 6.501 7.878 134 HB VAL 20 HB VAL 20 -9.717 5.146 5.234 135 HG11 VAL 20 1HG1 VAL 20 -9.322 7.255 4.429 136 HG12 VAL 20 2HG1 VAL 20 -10.272 7.640 5.865 137 HG13 VAL 20 3HG1 VAL 20 -8.515 7.787 5.903 138 HG21 VAL 20 1HG2 VAL 20 -7.207 5.821 5.285 139 HG22 VAL 20 2HG2 VAL 20 -7.380 5.650 7.032 140 HG23 VAL 20 3HG2 VAL 20 -7.705 4.276 5.975 141 H LEU 21 H LEU 21 -11.823 7.223 6.876 142 HA LEU 21 HA LEU 21 -13.963 5.259 7.080 143 HB2 LEU 21 1HB LEU 21 -13.991 7.574 8.150 144 HB3 LEU 21 2HB LEU 21 -14.267 8.196 6.525 145 HG LEU 21 HG LEU 21 -16.275 6.476 6.589 146 HD11 LEU 21 1HD1 LEU 21 -16.705 7.222 9.346 147 HD12 LEU 21 2HD1 LEU 21 -15.285 6.192 9.169 148 HD13 LEU 21 3HD1 LEU 21 -16.851 5.646 8.567 149 HD21 LEU 21 1HD2 LEU 21 -17.510 8.472 7.882 150 HD22 LEU 21 2HD2 LEU 21 -16.989 8.587 6.201 151 HD23 LEU 21 3HD2 LEU 21 -15.993 9.279 7.482 152 H GLU 22 H GLU 22 -15.148 4.516 5.412 153 HA GLU 22 HA GLU 22 -14.249 4.428 2.842 154 HB2 GLU 22 1HB GLU 22 -16.302 3.501 2.229 155 HB3 GLU 22 2HB GLU 22 -16.205 3.166 3.952 156 HG2 GLU 22 1HG GLU 22 -18.406 3.891 3.522 157 HG3 GLU 22 2HG GLU 22 -17.585 5.223 4.333 158 H GLY 23 H GLY 23 -15.286 5.338 0.840 159 HA2 GLY 23 1HA GLY 23 -15.974 7.113 -0.464 160 HA3 GLY 23 2HA GLY 23 -16.581 7.887 0.993 161 H GLY 24 H GLY 24 -13.301 6.888 1.074 162 HA2 GLY 24 1HA GLY 24 -12.415 9.615 0.384 163 HA3 GLY 24 2HA GLY 24 -11.900 8.861 1.885 164 H ALA 25 H ALA 25 -9.732 8.781 1.476 165 HA ALA 25 HA ALA 25 -8.911 6.872 -0.595 166 HB1 ALA 25 1HB ALA 25 -6.841 8.483 -0.824 167 HB2 ALA 25 2HB ALA 25 -8.311 8.744 -1.763 168 HB3 ALA 25 3HB ALA 25 -8.015 9.694 -0.307 169 H ALA 26 H ALA 26 -6.774 5.953 -0.226 170 HA ALA 26 HA ALA 26 -5.947 6.081 2.600 171 HB1 ALA 26 1HB ALA 26 -5.548 3.541 1.132 172 HB2 ALA 26 2HB ALA 26 -5.933 3.824 2.830 173 HB3 ALA 26 3HB ALA 26 -7.198 3.947 1.606 174 H THR 27 H THR 27 -3.942 6.801 2.808 175 HA THR 27 HA THR 27 -2.049 6.377 0.590 176 HB THR 27 HB THR 27 -2.198 8.589 2.638 177 HG1 THR 27 1HG THR 27 -3.382 8.510 0.468 178 HG21 THR 27 1HG2 THR 27 -0.152 9.112 0.768 179 HG22 THR 27 2HG2 THR 27 0.130 7.484 1.384 180 HG23 THR 27 3HG2 THR 27 0.011 8.842 2.503 181 H LEU 28 H LEU 28 -0.998 4.531 1.126 182 HA LEU 28 HA LEU 28 -0.138 4.033 3.843 183 HB2 LEU 28 1HB LEU 28 0.285 2.509 1.278 184 HB3 LEU 28 2HB LEU 28 0.854 1.971 2.856 185 HG LEU 28 HG LEU 28 -1.710 2.218 3.466 186 HD11 LEU 28 1HD1 LEU 28 -2.326 3.113 1.261 187 HD12 LEU 28 2HD1 LEU 28 -3.149 1.596 1.621 188 HD13 LEU 28 3HD1 LEU 28 -1.778 1.612 0.513 189 HD21 LEU 28 1HD2 LEU 28 -0.039 0.055 2.447 190 HD22 LEU 28 2HD2 LEU 28 -1.766 -0.233 2.236 191 HD23 LEU 28 3HD2 LEU 28 -1.116 0.097 3.843 192 H ARG 29 H ARG 29 2.059 3.700 4.463 193 HA ARG 29 HA ARG 29 4.086 4.850 2.688 194 HB2 ARG 29 1HB ARG 29 3.230 5.894 5.340 195 HB3 ARG 29 2HB ARG 29 4.951 5.912 4.979 196 HG2 ARG 29 1HG ARG 29 4.252 7.072 2.786 197 HG3 ARG 29 2HG ARG 29 2.726 7.373 3.619 198 HD2 ARG 29 1HD ARG 29 5.273 8.036 5.012 199 HD3 ARG 29 2HD ARG 29 4.715 9.101 3.722 200 HE ARG 29 HE ARG 29 2.587 8.614 5.484 201 HH11 ARG 29 2HH1 ARG 29 5.652 10.262 5.381 202 HH12 ARG 29 1HH1 ARG 29 5.192 11.464 6.542 203 HH21 ARG 29 2HH2 ARG 29 1.970 10.191 7.013 204 HH22 ARG 29 1HH2 ARG 29 3.098 11.422 7.470 205 H CYS 30 H CYS 30 6.151 4.048 2.969 206 HA CYS 30 HA CYS 30 6.858 2.392 5.196 207 HB2 CYS 30 1HB CYS 30 7.304 0.376 3.649 208 HB3 CYS 30 2HB CYS 30 5.653 0.654 4.189 209 HG CYS 30 HG CYS 30 5.080 2.082 1.706 210 H VAL 31 H VAL 31 8.962 2.659 5.514 211 HA VAL 31 HA VAL 31 10.614 3.577 3.264 212 HB VAL 31 HB VAL 31 11.215 3.754 6.219 213 HG11 VAL 31 1HG1 VAL 31 13.288 4.158 5.507 214 HG12 VAL 31 2HG1 VAL 31 12.770 4.249 3.822 215 HG13 VAL 31 3HG1 VAL 31 12.668 5.675 4.855 216 HG21 VAL 31 1HG2 VAL 31 9.947 5.694 4.313 217 HG22 VAL 31 2HG2 VAL 31 9.388 5.184 5.906 218 HG23 VAL 31 3HG2 VAL 31 10.793 6.240 5.761 219 H LEU 32 H LEU 32 12.201 2.346 2.480 220 HA LEU 32 HA LEU 32 12.674 -0.256 3.686 221 HB2 LEU 32 1HB LEU 32 13.874 0.858 1.162 222 HB3 LEU 32 2HB LEU 32 13.780 -0.832 1.653 223 HG LEU 32 HG LEU 32 11.253 0.696 1.222 224 HD11 LEU 32 1HD1 LEU 32 12.480 1.245 -0.759 225 HD12 LEU 32 2HD1 LEU 32 11.312 -0.014 -1.161 226 HD13 LEU 32 3HD1 LEU 32 13.014 -0.426 -0.951 227 HD21 LEU 32 1HD2 LEU 32 11.023 -1.501 2.115 228 HD22 LEU 32 2HD2 LEU 32 12.128 -2.170 0.913 229 HD23 LEU 32 3HD2 LEU 32 10.546 -1.568 0.418 230 H SER 33 H SER 33 14.503 -0.882 4.688 231 HA SER 33 HA SER 33 16.174 0.733 6.024 232 HB2 SER 33 1HB SER 33 16.634 -1.978 4.831 233 HB3 SER 33 2HB SER 33 17.960 -1.157 5.654 234 HG SER 33 HG SER 33 16.695 -2.514 7.044 235 H SER 34 H SER 34 16.576 -0.230 2.653 236 HA SER 34 HA SER 34 18.544 1.931 2.348 237 HB2 SER 34 1HB SER 34 18.780 -0.751 0.971 238 HB3 SER 34 2HB SER 34 19.942 0.575 0.932 239 HG SER 34 HG SER 34 19.719 -1.413 2.715 240 H VAL 35 H VAL 35 18.913 2.357 -0.088 241 HA VAL 35 HA VAL 35 16.274 2.702 -1.279 242 HB VAL 35 HB VAL 35 18.921 3.799 -2.234 243 HG11 VAL 35 1HG1 VAL 35 16.421 5.211 -2.834 244 HG12 VAL 35 2HG1 VAL 35 17.809 4.867 -3.868 245 HG13 VAL 35 3HG1 VAL 35 16.579 3.632 -3.602 246 HG21 VAL 35 1HG2 VAL 35 17.632 4.443 0.120 247 HG22 VAL 35 2HG2 VAL 35 18.809 5.445 -0.729 248 HG23 VAL 35 3HG2 VAL 35 17.084 5.686 -1.005 249 H ALA 36 H ALA 36 15.568 1.105 -2.533 250 HA ALA 36 HA ALA 36 17.346 0.080 -4.623 251 HB1 ALA 36 1HB ALA 36 16.078 -1.507 -2.465 252 HB2 ALA 36 2HB ALA 36 16.092 -2.203 -4.085 253 HB3 ALA 36 3HB ALA 36 17.608 -1.753 -3.306 254 H ALA 37 H ALA 37 16.317 -0.531 -6.519 255 HA ALA 37 HA ALA 37 13.507 -0.802 -6.780 256 HB1 ALA 37 1HB ALA 37 12.885 1.329 -6.883 257 HB2 ALA 37 2HB ALA 37 14.559 1.885 -6.883 258 HB3 ALA 37 3HB ALA 37 13.777 1.441 -8.400 259 HA PRO 38 HA PRO 38 12.202 0.229 -8.767 260 HB2 PRO 38 1HB PRO 38 10.675 -1.443 -10.264 261 HB3 PRO 38 2HB PRO 38 11.556 -0.073 -10.951 262 HG2 PRO 38 1HG PRO 38 12.299 -2.972 -10.907 263 HG3 PRO 38 2HG PRO 38 12.434 -1.803 -12.233 264 HD2 PRO 38 1HD PRO 38 14.549 -2.518 -10.701 265 HD3 PRO 38 2HD PRO 38 14.383 -0.896 -11.403 266 H VAL 39 H VAL 39 10.132 -0.640 -7.877 267 HA VAL 39 HA VAL 39 10.653 -3.025 -6.225 268 HB VAL 39 HB VAL 39 8.751 -0.773 -5.575 269 HG11 VAL 39 1HG1 VAL 39 8.055 -2.666 -4.399 270 HG12 VAL 39 2HG1 VAL 39 9.709 -3.205 -4.104 271 HG13 VAL 39 3HG1 VAL 39 9.071 -1.802 -3.247 272 HG21 VAL 39 1HG2 VAL 39 11.306 -1.146 -4.102 273 HG22 VAL 39 2HG2 VAL 39 11.359 -0.347 -5.673 274 HG23 VAL 39 3HG2 VAL 39 10.363 0.319 -4.379 275 H LYS 40 H LYS 40 8.745 -4.296 -5.618 276 HA LYS 40 HA LYS 40 6.807 -4.393 -7.831 277 HB2 LYS 40 1HB LYS 40 8.348 -6.375 -7.408 278 HB3 LYS 40 2HB LYS 40 7.447 -6.637 -5.920 279 HG2 LYS 40 1HG LYS 40 6.435 -8.080 -7.418 280 HG3 LYS 40 2HG LYS 40 5.369 -6.674 -7.437 281 HD2 LYS 40 1HD LYS 40 6.297 -5.908 -9.499 282 HD3 LYS 40 2HD LYS 40 7.588 -7.110 -9.430 283 HE2 LYS 40 1HE LYS 40 5.621 -8.816 -9.401 284 HE3 LYS 40 2HE LYS 40 4.685 -7.472 -10.054 285 HZ1 LYS 40 1HZ LYS 40 5.485 -7.997 -12.035 286 HZ2 LYS 40 2HZ LYS 40 6.510 -9.173 -11.382 287 HZ3 LYS 40 3HZ LYS 40 7.036 -7.571 -11.510 288 H TRP 41 H TRP 41 4.620 -4.563 -7.416 289 HA TRP 41 HA TRP 41 3.792 -4.302 -4.604 290 HB2 TRP 41 1HB TRP 41 3.107 -2.575 -6.945 291 HB3 TRP 41 2HB TRP 41 1.889 -2.831 -5.698 292 HD1 TRP 41 HD TRP 41 5.373 -1.282 -6.194 293 HE1 TRP 41 1HE TRP 41 5.795 0.393 -4.286 294 HE3 TRP 41 3HE TRP 41 1.234 -2.233 -3.348 295 HZ2 TRP 41 2HZ TRP 41 4.540 1.204 -1.891 296 HZ3 TRP 41 3HZ TRP 41 0.919 -0.964 -1.263 297 HH2 TRP 41 HH TRP 41 2.540 0.718 -0.551 298 H CYS 42 H CYS 42 2.886 -6.248 -4.250 299 HA CYS 42 HA CYS 42 0.845 -7.168 -6.165 300 HB2 CYS 42 1HB CYS 42 1.338 -9.428 -5.576 301 HB3 CYS 42 2HB CYS 42 2.878 -8.639 -5.894 302 HG CYS 42 HG CYS 42 3.170 -10.413 -3.741 303 H TYR 43 H TYR 43 -1.184 -7.405 -5.456 304 HA TYR 43 HA TYR 43 -1.673 -7.518 -2.564 305 HB2 TYR 43 1HB TYR 43 -2.170 -5.285 -2.826 306 HB3 TYR 43 2HB TYR 43 -2.663 -5.479 -4.504 307 HD1 TYR 43 2HD TYR 43 -3.752 -6.510 -1.079 308 HD2 TYR 43 1HD TYR 43 -4.913 -5.323 -4.996 309 HE1 TYR 43 2HE TYR 43 -6.109 -6.523 -0.378 310 HE2 TYR 43 1HE TYR 43 -7.274 -5.331 -4.306 311 HH TYR 43 HH TYR 43 -8.474 -6.838 -1.876 312 H GLY 44 H GLY 44 -2.715 -9.359 -2.205 313 HA2 GLY 44 1HA GLY 44 -4.287 -11.027 -2.359 314 HA3 GLY 44 2HA GLY 44 -5.222 -9.942 -3.378 315 H ASN 45 H ASN 45 -5.068 -10.095 -5.609 316 HA ASN 45 HA ASN 45 -3.456 -12.332 -6.638 317 HB2 ASN 45 1HB ASN 45 -5.749 -13.102 -6.503 318 HB3 ASN 45 2HB ASN 45 -6.322 -11.660 -7.335 319 HD21 ASN 45 1HD2 ASN 45 -7.277 -13.524 -8.611 320 HD22 ASN 45 2HD2 ASN 45 -6.358 -14.071 -9.968 321 H ASN 46 H ASN 46 -5.494 -9.638 -7.794 322 HA ASN 46 HA ASN 46 -4.082 -9.295 -10.213 323 HB2 ASN 46 1HB ASN 46 -6.430 -8.479 -9.657 324 HB3 ASN 46 2HB ASN 46 -5.661 -7.146 -8.802 325 HD21 ASN 46 1HD2 ASN 46 -5.532 -8.796 -11.938 326 HD22 ASN 46 2HD2 ASN 46 -5.353 -7.358 -12.879 327 H VAL 47 H VAL 47 -2.452 -7.919 -10.806 328 HA VAL 47 HA VAL 47 -0.751 -6.965 -8.662 329 HB VAL 47 HB VAL 47 -0.246 -6.699 -11.622 330 HG11 VAL 47 1HG1 VAL 47 1.168 -5.893 -9.300 331 HG12 VAL 47 2HG1 VAL 47 2.082 -7.191 -10.072 332 HG13 VAL 47 3HG1 VAL 47 1.654 -5.745 -10.988 333 HG21 VAL 47 1HG2 VAL 47 0.347 -8.857 -11.815 334 HG22 VAL 47 2HG2 VAL 47 1.052 -8.912 -10.199 335 HG23 VAL 47 3HG2 VAL 47 -0.690 -9.092 -10.407 336 H LEU 48 H LEU 48 -0.433 -4.894 -8.083 337 HA LEU 48 HA LEU 48 -2.220 -2.890 -9.128 338 HB2 LEU 48 1HB LEU 48 -0.008 -2.409 -7.160 339 HB3 LEU 48 2HB LEU 48 -1.525 -1.531 -7.343 340 HG LEU 48 HG LEU 48 -1.304 -4.363 -6.326 341 HD11 LEU 48 1HD1 LEU 48 -0.454 -3.352 -4.505 342 HD12 LEU 48 2HD1 LEU 48 -2.135 -2.904 -4.214 343 HD13 LEU 48 3HD1 LEU 48 -1.037 -1.758 -4.984 344 HD21 LEU 48 1HD2 LEU 48 -3.652 -3.467 -5.429 345 HD22 LEU 48 2HD2 LEU 48 -3.470 -4.272 -6.988 346 HD23 LEU 48 3HD2 LEU 48 -3.538 -2.511 -6.907 347 H ARG 49 H ARG 49 -1.788 -1.552 -10.744 348 HA ARG 49 HA ARG 49 1.028 -0.931 -11.346 349 HB2 ARG 49 1HB ARG 49 -1.220 -1.533 -13.268 350 HB3 ARG 49 2HB ARG 49 0.290 -0.778 -13.761 351 HG2 ARG 49 1HG ARG 49 0.392 -3.347 -12.263 352 HG3 ARG 49 2HG ARG 49 -0.059 -3.362 -13.969 353 HD2 ARG 49 1HD ARG 49 2.426 -2.036 -12.902 354 HD3 ARG 49 2HD ARG 49 2.385 -3.690 -13.510 355 HE ARG 49 HE ARG 49 1.304 -1.958 -15.444 356 HH11 ARG 49 2HH1 ARG 49 4.344 -2.783 -13.961 357 HH12 ARG 49 1HH1 ARG 49 5.287 -2.345 -15.347 358 HH21 ARG 49 2HH2 ARG 49 2.535 -1.378 -17.275 359 HH22 ARG 49 1HH2 ARG 49 4.258 -1.546 -17.231 360 HA PRO 50 HA PRO 50 -0.059 3.318 -11.159 361 HB2 PRO 50 1HB PRO 50 1.670 4.372 -12.967 362 HB3 PRO 50 2HB PRO 50 2.182 3.773 -11.384 363 HG2 PRO 50 1HG PRO 50 2.320 2.427 -14.055 364 HG3 PRO 50 2HG PRO 50 3.535 2.481 -12.764 365 HD2 PRO 50 1HD PRO 50 1.923 0.341 -13.160 366 HD3 PRO 50 2HD PRO 50 2.502 0.816 -11.550 367 H GLY 51 H GLY 51 -1.726 4.417 -11.981 368 HA2 GLY 51 1HA GLY 51 -2.028 4.804 -14.822 369 HA3 GLY 51 2HA GLY 51 -3.250 3.749 -14.128 370 H ASP 52 H ASP 52 -5.079 4.856 -13.955 371 HA ASP 52 HA ASP 52 -4.978 7.684 -13.198 372 HB2 ASP 52 1HB ASP 52 -6.330 6.682 -15.209 373 HB3 ASP 52 2HB ASP 52 -7.503 6.263 -13.964 374 H LYS 53 H LYS 53 -6.521 4.634 -12.261 375 HA LYS 53 HA LYS 53 -7.900 5.709 -10.022 376 HB2 LYS 53 1HB LYS 53 -8.183 3.435 -11.352 377 HB3 LYS 53 2HB LYS 53 -7.099 2.835 -10.104 378 HG2 LYS 53 1HG LYS 53 -9.629 4.320 -9.464 379 HG3 LYS 53 2HG LYS 53 -9.576 2.569 -9.683 380 HD2 LYS 53 1HD LYS 53 -7.631 3.835 -7.815 381 HD3 LYS 53 2HD LYS 53 -9.309 3.659 -7.297 382 HE2 LYS 53 1HE LYS 53 -7.813 1.342 -8.466 383 HE3 LYS 53 2HE LYS 53 -7.622 1.771 -6.767 384 HZ1 LYS 53 1HZ LYS 53 -9.344 0.080 -7.146 385 HZ2 LYS 53 2HZ LYS 53 -10.223 1.187 -8.073 386 HZ3 LYS 53 3HZ LYS 53 -9.967 1.479 -6.427 387 H TYR 54 H TYR 54 -5.055 3.556 -10.160 388 HA TYR 54 HA TYR 54 -4.395 4.210 -7.413 389 HB2 TYR 54 1HB TYR 54 -2.832 2.481 -9.335 390 HB3 TYR 54 2HB TYR 54 -2.713 2.503 -7.579 391 HD1 TYR 54 2HD TYR 54 -4.900 1.571 -10.414 392 HD2 TYR 54 1HD TYR 54 -4.170 1.199 -6.239 393 HE1 TYR 54 2HE TYR 54 -6.581 -0.219 -10.286 394 HE2 TYR 54 1HE TYR 54 -5.849 -0.593 -6.099 395 HH TYR 54 HH TYR 54 -7.872 -1.433 -8.842 396 H SER 55 H SER 55 -2.169 4.842 -6.835 397 HA SER 55 HA SER 55 -0.775 6.395 -8.886 398 HB2 SER 55 1HB SER 55 -2.389 7.885 -7.618 399 HB3 SER 55 2HB SER 55 -1.415 7.579 -6.180 400 HG SER 55 HG SER 55 0.387 8.302 -7.701 401 H LEU 56 H LEU 56 1.243 5.683 -8.885 402 HA LEU 56 HA LEU 56 2.417 4.706 -6.379 403 HB2 LEU 56 1HB LEU 56 2.984 4.191 -9.272 404 HB3 LEU 56 2HB LEU 56 4.211 3.864 -8.050 405 HG LEU 56 HG LEU 56 2.849 1.885 -8.783 406 HD11 LEU 56 1HD1 LEU 56 2.177 1.649 -6.090 407 HD12 LEU 56 2HD1 LEU 56 3.562 2.741 -6.126 408 HD13 LEU 56 3HD1 LEU 56 3.679 1.143 -6.863 409 HD21 LEU 56 1HD2 LEU 56 0.656 2.870 -7.026 410 HD22 LEU 56 2HD2 LEU 56 0.612 1.682 -8.329 411 HD23 LEU 56 3HD2 LEU 56 0.707 3.403 -8.706 412 H ARG 57 H ARG 57 3.894 5.877 -5.355 413 HA ARG 57 HA ARG 57 5.508 7.795 -6.884 414 HB2 ARG 57 1HB ARG 57 3.931 8.339 -4.373 415 HB3 ARG 57 2HB ARG 57 5.285 9.347 -4.867 416 HG2 ARG 57 1HG ARG 57 4.159 9.928 -6.919 417 HG3 ARG 57 2HG ARG 57 2.834 8.828 -6.535 418 HD2 ARG 57 1HD ARG 57 1.936 10.815 -5.834 419 HD3 ARG 57 2HD ARG 57 2.704 10.270 -4.343 420 HE ARG 57 HE ARG 57 4.106 12.064 -4.470 421 HH11 ARG 57 2HH1 ARG 57 2.722 11.504 -7.614 422 HH12 ARG 57 1HH1 ARG 57 3.410 12.931 -8.315 423 HH21 ARG 57 2HH2 ARG 57 5.018 13.946 -5.381 424 HH22 ARG 57 1HH2 ARG 57 4.717 14.319 -7.044 425 H GLN 58 H GLN 58 7.615 7.645 -6.462 426 HA GLN 58 HA GLN 58 8.441 6.264 -3.994 427 HB2 GLN 58 1HB GLN 58 8.894 4.877 -5.932 428 HB3 GLN 58 2HB GLN 58 9.729 6.205 -6.727 429 HG2 GLN 58 1HG GLN 58 11.213 6.094 -4.541 430 HG3 GLN 58 2HG GLN 58 10.635 4.429 -4.536 431 HE21 GLN 58 1HE2 GLN 58 13.074 4.237 -4.776 432 HE22 GLN 58 2HE2 GLN 58 13.675 4.133 -6.392 433 H GLU 59 H GLU 59 9.890 7.248 -2.708 434 HA GLU 59 HA GLU 59 11.341 9.578 -3.751 435 HB2 GLU 59 1HB GLU 59 9.745 9.473 -1.188 436 HB3 GLU 59 2HB GLU 59 10.888 10.749 -1.582 437 HG2 GLU 59 1HG GLU 59 8.345 10.074 -3.036 438 HG3 GLU 59 2HG GLU 59 8.681 11.513 -2.076 439 H GLY 60 H GLY 60 13.182 8.202 -3.820 440 HA2 GLY 60 1HA GLY 60 15.004 7.068 -2.962 441 HA3 GLY 60 2HA GLY 60 15.001 8.403 -1.819 442 H ALA 61 H ALA 61 14.238 5.063 -2.335 443 HA ALA 61 HA ALA 61 13.736 3.352 -0.921 444 HB1 ALA 61 1HB ALA 61 15.351 3.291 0.595 445 HB2 ALA 61 2HB ALA 61 15.588 5.031 0.434 446 HB3 ALA 61 3HB ALA 61 14.436 4.403 1.612 447 H MET 62 H MET 62 11.721 5.416 -1.425 448 HA MET 62 HA MET 62 10.011 4.861 0.895 449 HB2 MET 62 1HB MET 62 11.031 7.295 0.681 450 HB3 MET 62 2HB MET 62 9.728 7.494 -0.482 451 HG2 MET 62 1HG MET 62 8.075 7.131 1.139 452 HG3 MET 62 2HG MET 62 9.234 6.465 2.288 453 HE1 MET 62 1HE MET 62 7.572 9.276 0.668 454 HE2 MET 62 2HE MET 62 7.029 9.548 2.324 455 HE3 MET 62 3HE MET 62 8.056 10.740 1.525 456 H LEU 63 H LEU 63 7.863 4.489 0.433 457 HA LEU 63 HA LEU 63 7.055 4.635 -2.389 458 HB2 LEU 63 1HB LEU 63 6.342 2.325 -0.605 459 HB3 LEU 63 2HB LEU 63 6.117 2.465 -2.348 460 HG LEU 63 HG LEU 63 8.878 2.471 -1.199 461 HD11 LEU 63 1HD1 LEU 63 6.990 0.191 -1.306 462 HD12 LEU 63 2HD1 LEU 63 8.331 0.504 -0.206 463 HD13 LEU 63 3HD1 LEU 63 8.648 -0.098 -1.833 464 HD21 LEU 63 1HD2 LEU 63 9.408 2.501 -3.351 465 HD22 LEU 63 2HD2 LEU 63 7.698 2.496 -3.784 466 HD23 LEU 63 3HD2 LEU 63 8.563 0.971 -3.584 467 H GLU 64 H GLU 64 4.806 4.846 -2.758 468 HA GLU 64 HA GLU 64 3.053 5.198 -0.469 469 HB2 GLU 64 1HB GLU 64 4.201 7.405 -0.848 470 HB3 GLU 64 2HB GLU 64 3.441 7.459 -2.433 471 HG2 GLU 64 1HG GLU 64 2.075 7.481 0.245 472 HG3 GLU 64 2HG GLU 64 2.160 8.793 -0.929 473 H LEU 65 H LEU 65 1.247 4.163 -0.963 474 HA LEU 65 HA LEU 65 0.388 4.089 -3.780 475 HB2 LEU 65 1HB LEU 65 1.001 1.904 -2.885 476 HB3 LEU 65 2HB LEU 65 -0.146 2.115 -1.564 477 HG LEU 65 HG LEU 65 -1.853 2.343 -3.586 478 HD11 LEU 65 1HD1 LEU 65 -1.314 1.150 -5.499 479 HD12 LEU 65 2HD1 LEU 65 0.053 0.341 -4.733 480 HD13 LEU 65 3HD1 LEU 65 0.168 2.047 -5.164 481 HD21 LEU 65 1HD2 LEU 65 -2.372 -0.011 -3.299 482 HD22 LEU 65 2HD2 LEU 65 -1.954 0.719 -1.748 483 HD23 LEU 65 3HD2 LEU 65 -0.782 -0.295 -2.590 484 H VAL 66 H VAL 66 -1.355 5.247 -4.226 485 HA VAL 66 HA VAL 66 -3.200 5.941 -2.049 486 HB VAL 66 HB VAL 66 -2.842 7.207 -4.768 487 HG11 VAL 66 1HG1 VAL 66 -4.365 8.664 -2.745 488 HG12 VAL 66 2HG1 VAL 66 -4.700 8.417 -4.460 489 HG13 VAL 66 3HG1 VAL 66 -5.143 7.177 -3.286 490 HG21 VAL 66 1HG2 VAL 66 -1.606 7.639 -2.175 491 HG22 VAL 66 2HG2 VAL 66 -1.141 8.248 -3.763 492 HG23 VAL 66 3HG2 VAL 66 -2.361 9.098 -2.815 493 H VAL 67 H VAL 67 -5.221 5.185 -2.005 494 HA VAL 67 HA VAL 67 -6.231 3.793 -4.401 495 HB VAL 67 HB VAL 67 -7.046 3.131 -1.578 496 HG11 VAL 67 1HG1 VAL 67 -8.154 1.329 -2.461 497 HG12 VAL 67 2HG1 VAL 67 -8.336 2.488 -3.779 498 HG13 VAL 67 3HG1 VAL 67 -7.101 1.233 -3.871 499 HG21 VAL 67 1HG2 VAL 67 -5.124 2.083 -1.214 500 HG22 VAL 67 2HG2 VAL 67 -5.367 1.112 -2.666 501 HG23 VAL 67 3HG2 VAL 67 -4.515 2.653 -2.768 502 H ARG 68 H ARG 68 -7.864 4.832 -5.315 503 HA ARG 68 HA ARG 68 -9.475 6.685 -3.738 504 HB2 ARG 68 1HB ARG 68 -8.923 6.294 -6.638 505 HB3 ARG 68 2HB ARG 68 -10.465 7.010 -6.190 506 HG2 ARG 68 1HG ARG 68 -7.996 8.122 -4.971 507 HG3 ARG 68 2HG ARG 68 -8.339 8.486 -6.663 508 HD2 ARG 68 1HD ARG 68 -9.433 10.224 -5.663 509 HD3 ARG 68 2HD ARG 68 -10.732 9.033 -5.698 510 HE ARG 68 HE ARG 68 -9.574 8.582 -3.305 511 HH11 ARG 68 2HH1 ARG 68 -10.735 11.467 -4.870 512 HH12 ARG 68 1HH1 ARG 68 -11.157 12.259 -3.388 513 HH21 ARG 68 2HH2 ARG 68 -10.125 9.614 -1.347 514 HH22 ARG 68 1HH2 ARG 68 -10.808 11.204 -1.384 515 H ASN 69 H ASN 69 -11.818 6.697 -3.958 516 HA ASN 69 HA ASN 69 -13.865 5.718 -3.808 517 HB2 ASN 69 1HB ASN 69 -12.807 3.587 -5.669 518 HB3 ASN 69 2HB ASN 69 -14.482 4.085 -5.444 519 HD21 ASN 69 1HD2 ASN 69 -15.217 5.956 -6.407 520 HD22 ASN 69 2HD2 ASN 69 -14.324 6.785 -7.631 521 H LEU 70 H LEU 70 -12.452 5.219 -1.659 522 HA LEU 70 HA LEU 70 -11.776 2.600 -1.009 523 HB2 LEU 70 1HB LEU 70 -12.557 5.016 0.526 524 HB3 LEU 70 2HB LEU 70 -12.572 3.471 1.375 525 HG LEU 70 HG LEU 70 -10.165 4.574 -0.068 526 HD11 LEU 70 1HD1 LEU 70 -9.608 4.651 2.611 527 HD12 LEU 70 2HD1 LEU 70 -11.282 5.202 2.553 528 HD13 LEU 70 3HD1 LEU 70 -10.046 6.038 1.613 529 HD21 LEU 70 1HD2 LEU 70 -9.741 2.697 2.096 530 HD22 LEU 70 2HD2 LEU 70 -9.145 2.661 0.437 531 HD23 LEU 70 3HD2 LEU 70 -10.740 2.011 0.815 532 H ARG 71 H ARG 71 -12.874 0.941 0.082 533 HA ARG 71 HA ARG 71 -15.721 1.141 0.528 534 HB2 ARG 71 1HB ARG 71 -14.562 -0.334 -1.789 535 HB3 ARG 71 2HB ARG 71 -15.916 -1.067 -0.939 536 HG2 ARG 71 1HG ARG 71 -16.959 1.338 -1.255 537 HG3 ARG 71 2HG ARG 71 -15.820 1.387 -2.602 538 HD2 ARG 71 1HD ARG 71 -16.802 -0.936 -3.193 539 HD3 ARG 71 2HD ARG 71 -18.136 -0.455 -2.146 540 HE ARG 71 HE ARG 71 -17.661 1.612 -3.967 541 HH11 ARG 71 2HH1 ARG 71 -18.796 -1.679 -3.935 542 HH12 ARG 71 1HH1 ARG 71 -19.809 -1.481 -5.327 543 HH21 ARG 71 2HH2 ARG 71 -18.991 1.886 -5.800 544 HH22 ARG 71 1HH2 ARG 71 -19.918 0.547 -6.388 545 HA PRO 72 HA PRO 72 -14.729 -1.774 3.666 546 HB2 PRO 72 1HB PRO 72 -17.184 -2.851 4.092 547 HB3 PRO 72 2HB PRO 72 -16.745 -1.221 4.618 548 HG2 PRO 72 1HG PRO 72 -18.276 -2.081 2.193 549 HG3 PRO 72 2HG PRO 72 -18.601 -0.736 3.303 550 HD2 PRO 72 1HD PRO 72 -17.411 -0.384 0.896 551 HD3 PRO 72 2HD PRO 72 -17.038 0.632 2.304 552 H GLN 73 H GLN 73 -15.639 -2.658 0.559 553 HA GLN 73 HA GLN 73 -15.549 -5.531 1.115 554 HB2 GLN 73 1HB GLN 73 -15.997 -4.257 -1.576 555 HB3 GLN 73 2HB GLN 73 -16.433 -5.878 -1.053 556 HG2 GLN 73 1HG GLN 73 -17.649 -3.539 0.328 557 HG3 GLN 73 2HG GLN 73 -18.238 -4.001 -1.268 558 HE21 GLN 73 1HE2 GLN 73 -18.222 -6.655 -1.270 559 HE22 GLN 73 2HE2 GLN 73 -19.244 -7.295 -0.032 560 H ASP 74 H ASP 74 -13.514 -3.008 0.218 561 HA ASP 74 HA ASP 74 -11.747 -4.566 -1.457 562 HB2 ASP 74 1HB ASP 74 -12.163 -2.008 -1.554 563 HB3 ASP 74 2HB ASP 74 -11.034 -1.928 -0.204 564 H SER 75 H SER 75 -11.988 -3.623 1.897 565 HA SER 75 HA SER 75 -9.561 -3.851 2.981 566 HB2 SER 75 1HB SER 75 -12.031 -5.295 3.969 567 HB3 SER 75 2HB SER 75 -10.584 -5.009 4.935 568 HG SER 75 HG SER 75 -12.397 -3.442 5.108 569 H GLY 76 H GLY 76 -7.962 -5.087 2.173 570 HA2 GLY 76 1HA GLY 76 -8.344 -8.004 2.316 571 HA3 GLY 76 2HA GLY 76 -7.650 -7.284 0.872 572 H ARG 77 H ARG 77 -5.670 -8.287 1.025 573 HA ARG 77 HA ARG 77 -4.025 -7.503 3.342 574 HB2 ARG 77 1HB ARG 77 -4.542 -9.976 3.099 575 HB3 ARG 77 2HB ARG 77 -3.575 -9.946 1.631 576 HG2 ARG 77 1HG ARG 77 -1.606 -9.386 2.842 577 HG3 ARG 77 2HG ARG 77 -2.528 -9.107 4.321 578 HD2 ARG 77 1HD ARG 77 -1.687 -11.217 4.698 579 HD3 ARG 77 2HD ARG 77 -3.262 -11.587 3.997 580 HE ARG 77 HE ARG 77 -0.670 -12.070 2.817 581 HH11 ARG 77 2HH1 ARG 77 -4.093 -11.751 2.273 582 HH12 ARG 77 1HH1 ARG 77 -4.075 -12.655 0.796 583 HH21 ARG 77 2HH2 ARG 77 -0.632 -13.262 0.873 584 HH22 ARG 77 1HH2 ARG 77 -2.106 -13.515 0.000 585 H TYR 78 H TYR 78 -2.980 -5.737 2.586 586 HA TYR 78 HA TYR 78 -1.830 -5.760 -0.089 587 HB2 TYR 78 1HB TYR 78 -1.834 -3.586 2.014 588 HB3 TYR 78 2HB TYR 78 -1.280 -3.408 0.353 589 HD1 TYR 78 1HD TYR 78 -3.059 -4.000 -1.488 590 HD2 TYR 78 2HD TYR 78 -4.012 -2.999 2.536 591 HE1 TYR 78 1HE TYR 78 -5.335 -3.384 -2.187 592 HE2 TYR 78 2HE TYR 78 -6.291 -2.381 1.849 593 HH TYR 78 HH TYR 78 -7.706 -2.154 0.157 594 H SER 79 H SER 79 0.023 -6.856 -0.253 595 HA SER 79 HA SER 79 2.115 -6.329 1.756 596 HB2 SER 79 1HB SER 79 2.987 -8.626 1.203 597 HB3 SER 79 2HB SER 79 1.424 -8.616 2.019 598 HG SER 79 HG SER 79 1.466 -8.601 -0.777 599 H CYS 80 H CYS 80 4.060 -5.681 1.027 600 HA CYS 80 HA CYS 80 4.356 -5.365 -1.876 601 HB2 CYS 80 1HB CYS 80 4.533 -3.422 -0.119 602 HB3 CYS 80 2HB CYS 80 6.161 -4.047 0.119 603 HG CYS 80 HG CYS 80 7.233 -3.039 -2.005 604 H SER 81 H SER 81 5.560 -6.827 -2.872 605 HA SER 81 HA SER 81 7.440 -8.461 -1.406 606 HB2 SER 81 1HB SER 81 5.888 -9.278 -3.272 607 HB3 SER 81 2HB SER 81 7.004 -8.495 -4.392 608 HG SER 81 HG SER 81 8.635 -9.821 -3.091 609 H PHE 82 H PHE 82 9.540 -8.079 -1.205 610 HA PHE 82 HA PHE 82 11.062 -6.806 -3.292 611 HB2 PHE 82 1HB PHE 82 9.931 -5.004 -1.711 612 HB3 PHE 82 2HB PHE 82 11.277 -5.421 -0.655 613 HD1 PHE 82 1HD PHE 82 11.079 -5.085 -4.359 614 HD2 PHE 82 2HD PHE 82 12.769 -3.667 -0.720 615 HE1 PHE 82 1HE PHE 82 12.539 -3.569 -5.632 616 HE2 PHE 82 2HE PHE 82 14.232 -2.148 -1.987 617 HZ PHE 82 HZ PHE 82 14.118 -2.096 -4.446 618 H GLY 83 H GLY 83 12.962 -7.803 -3.371 619 HA2 GLY 83 1HA GLY 83 14.849 -8.947 -2.735 620 HA3 GLY 83 2HA GLY 83 14.618 -8.264 -1.132 621 H ASP 84 H ASP 84 14.797 -9.902 0.256 622 HA ASP 84 HA ASP 84 13.530 -12.465 -0.393 623 HB2 ASP 84 1HB ASP 84 15.353 -11.891 1.943 624 HB3 ASP 84 2HB ASP 84 14.932 -13.458 1.259 625 H GLN 85 H GLN 85 13.240 -9.718 1.668 626 HA GLN 85 HA GLN 85 11.403 -11.083 3.478 627 HB2 GLN 85 1HB GLN 85 12.426 -8.238 3.479 628 HB3 GLN 85 2HB GLN 85 11.388 -8.941 4.713 629 HG2 GLN 85 1HG GLN 85 13.345 -10.717 4.824 630 HG3 GLN 85 2HG GLN 85 14.275 -9.359 4.193 631 HE21 GLN 85 1HE2 GLN 85 14.820 -10.446 6.654 632 HE22 GLN 85 2HE2 GLN 85 14.404 -9.313 7.890 633 H THR 86 H THR 86 9.250 -10.419 3.790 634 HA THR 86 HA THR 86 8.117 -8.650 1.741 635 HB THR 86 HB THR 86 6.956 -11.353 2.441 636 HG1 THR 86 1HG THR 86 8.303 -10.422 0.107 637 HG21 THR 86 1HG2 THR 86 5.089 -10.768 1.345 638 HG22 THR 86 2HG2 THR 86 5.993 -9.976 0.054 639 HG23 THR 86 3HG2 THR 86 5.644 -9.106 1.548 640 H THR 87 H THR 87 6.918 -7.134 2.664 641 HA THR 87 HA THR 87 6.007 -7.486 5.409 642 HB THR 87 HB THR 87 7.130 -5.392 4.885 643 HG1 THR 87 1HG THR 87 4.383 -4.755 5.186 644 HG21 THR 87 1HG2 THR 87 5.801 -3.748 3.410 645 HG22 THR 87 2HG2 THR 87 5.010 -5.188 2.769 646 HG23 THR 87 3HG2 THR 87 6.756 -4.996 2.612 647 H SER 88 H SER 88 3.823 -6.846 6.032 648 HA SER 88 HA SER 88 1.790 -6.899 3.956 649 HB2 SER 88 1HB SER 88 2.175 -9.286 4.428 650 HB3 SER 88 2HB SER 88 1.868 -8.997 6.140 651 HG SER 88 HG SER 88 -0.228 -8.769 5.748 652 H ALA 89 H ALA 89 -0.085 -5.892 4.545 653 HA ALA 89 HA ALA 89 -0.549 -5.226 7.342 654 HB1 ALA 89 1HB ALA 89 0.328 -3.288 5.297 655 HB2 ALA 89 2HB ALA 89 -1.007 -2.780 6.333 656 HB3 ALA 89 3HB ALA 89 0.530 -3.263 7.049 657 H THR 90 H THR 90 -2.661 -3.984 7.568 658 HA THR 90 HA THR 90 -4.570 -4.763 5.469 659 HB THR 90 HB THR 90 -5.057 -5.050 8.440 660 HG1 THR 90 1HG THR 90 -4.529 -6.967 6.400 661 HG21 THR 90 1HG2 THR 90 -7.167 -6.009 7.856 662 HG22 THR 90 2HG2 THR 90 -6.769 -5.981 6.138 663 HG23 THR 90 3HG2 THR 90 -7.038 -4.470 7.007 664 H LEU 91 H LEU 91 -6.102 -3.282 4.975 665 HA LEU 91 HA LEU 91 -5.987 -0.732 6.425 666 HB2 LEU 91 1HB LEU 91 -5.548 -0.273 4.208 667 HB3 LEU 91 2HB LEU 91 -6.662 -1.507 3.625 668 HG LEU 91 HG LEU 91 -8.539 -0.009 4.414 669 HD11 LEU 91 1HD1 LEU 91 -8.023 2.355 4.703 670 HD12 LEU 91 2HD1 LEU 91 -6.299 2.003 4.580 671 HD13 LEU 91 3HD1 LEU 91 -7.232 1.377 5.939 672 HD21 LEU 91 1HD2 LEU 91 -8.683 0.565 2.274 673 HD22 LEU 91 2HD2 LEU 91 -7.032 -0.017 2.055 674 HD23 LEU 91 3HD2 LEU 91 -7.327 1.682 2.431 675 H THR 92 H THR 92 -7.682 0.011 7.539 676 HA THR 92 HA THR 92 -10.114 -1.615 7.578 677 HB THR 92 HB THR 92 -9.212 0.567 9.469 678 HG1 THR 92 1HG THR 92 -8.394 -1.021 10.659 679 HG21 THR 92 1HG2 THR 92 -11.268 -1.352 10.319 680 HG22 THR 92 2HG2 THR 92 -11.780 -0.235 9.054 681 HG23 THR 92 3HG2 THR 92 -11.162 0.388 10.584 682 H VAL 93 H VAL 93 -11.936 -0.960 6.646 683 HA VAL 93 HA VAL 93 -12.244 1.906 6.023 684 HB VAL 93 HB VAL 93 -13.188 -0.415 4.334 685 HG11 VAL 93 1HG1 VAL 93 -14.147 2.222 4.503 686 HG12 VAL 93 2HG1 VAL 93 -13.204 2.126 3.014 687 HG13 VAL 93 3HG1 VAL 93 -14.537 1.004 3.289 688 HG21 VAL 93 1HG2 VAL 93 -10.657 0.310 4.457 689 HG22 VAL 93 2HG2 VAL 93 -11.420 -0.085 2.916 690 HG23 VAL 93 3HG2 VAL 93 -11.212 1.601 3.390 691 H THR 94 H THR 94 -13.782 2.704 7.290 692 HA THR 94 HA THR 94 -15.905 1.038 8.325 693 HB THR 94 HB THR 94 -15.525 4.018 8.665 694 HG1 THR 94 1HG THR 94 -13.835 3.343 9.771 695 HG21 THR 94 1HG2 THR 94 -16.745 2.919 10.914 696 HG22 THR 94 2HG2 THR 94 -17.541 2.136 9.549 697 HG23 THR 94 3HG2 THR 94 -17.518 3.896 9.666 698 H ALA 95 H ALA 95 -17.931 0.898 7.583 699 HA ALA 95 HA ALA 95 -18.617 2.274 5.134 700 HB1 ALA 95 1HB ALA 95 -19.119 -0.131 5.490 701 HB2 ALA 95 2HB ALA 95 -20.285 0.335 6.729 702 HB3 ALA 95 3HB ALA 95 -20.534 0.828 5.054 703 H LEU 96 H LEU 96 -19.639 4.155 5.061 704 HA LEU 96 HA LEU 96 -20.343 5.823 7.016 705 HB2 LEU 96 1HB LEU 96 -21.710 5.313 4.399 706 HB3 LEU 96 2HB LEU 96 -22.287 6.571 5.490 707 HG LEU 96 HG LEU 96 -19.455 6.491 4.480 708 HD11 LEU 96 1HD1 LEU 96 -21.926 7.550 3.179 709 HD12 LEU 96 2HD1 LEU 96 -20.566 6.684 2.467 710 HD13 LEU 96 3HD1 LEU 96 -20.382 8.370 2.949 711 HD21 LEU 96 1HD2 LEU 96 -19.877 7.854 6.459 712 HD22 LEU 96 2HD2 LEU 96 -21.175 8.697 5.611 713 HD23 LEU 96 3HD2 LEU 96 -19.507 8.863 5.060 714 HA PRO 97 HA PRO 97 -23.613 4.179 9.447 715 HB2 PRO 97 1HB PRO 97 -24.806 6.472 10.274 716 HB3 PRO 97 2HB PRO 97 -23.241 5.928 10.889 717 HG2 PRO 97 1HG PRO 97 -23.843 7.966 8.780 718 HG3 PRO 97 2HG PRO 97 -22.654 8.034 10.095 719 HD2 PRO 97 1HD PRO 97 -21.975 7.420 7.547 720 HD3 PRO 97 2HD PRO 97 -21.129 6.739 8.951 721 H SER 98 H SER 98 -25.467 3.266 8.848 722 HA SER 98 HA SER 98 -26.958 4.287 6.606 723 HB2 SER 98 1HB SER 98 -26.683 1.890 6.805 724 HB3 SER 98 2HB SER 98 -27.413 1.899 8.410 725 HG SER 98 HG SER 98 -28.659 1.516 6.185 726 H GLY 99 H GLY 99 -28.637 5.624 6.686 727 HA2 GLY 99 1HA GLY 99 -30.325 5.667 9.085 728 HA3 GLY 99 2HA GLY 99 -29.574 7.171 8.573 729 HA PRO 100 HA PRO 100 -33.620 6.070 6.213 730 HB2 PRO 100 1HB PRO 100 -35.473 7.278 7.788 731 HB3 PRO 100 2HB PRO 100 -35.024 5.577 7.965 732 HG2 PRO 100 1HG PRO 100 -34.106 7.952 9.540 733 HG3 PRO 100 2HG PRO 100 -34.573 6.341 10.114 734 HD2 PRO 100 1HD PRO 100 -31.987 7.093 9.831 735 HD3 PRO 100 2HD PRO 100 -32.527 5.420 9.583 736 H SER 101 H SER 101 -32.775 7.547 4.714 737 HA SER 101 HA SER 101 -32.346 9.592 3.741 738 HB2 SER 101 1HB SER 101 -34.868 8.999 3.489 739 HB3 SER 101 2HB SER 101 -35.124 10.320 4.628 740 HG SER 101 HG SER 101 -33.502 10.719 2.369 741 H SER 102 H SER 102 -31.226 9.655 6.223 742 HA SER 102 HA SER 102 -32.119 12.053 7.599 743 HB2 SER 102 1HB SER 102 -31.331 10.054 8.867 744 HB3 SER 102 2HB SER 102 -29.722 10.297 8.187 745 HG SER 102 HG SER 102 -30.075 12.551 9.131 746 H GLY 103 H GLY 103 -29.090 10.923 6.083 747 HA2 GLY 103 1HA GLY 103 -28.259 12.666 4.401 748 HA3 GLY 103 2HA GLY 103 -28.296 13.747 5.786 Start of MODEL 8 1 H1 GLY 1 H GLY 1 35.482 -8.063 5.416 2 HA2 GLY 1 1HA GLY 1 36.750 -9.182 7.038 3 HA3 GLY 1 2HA GLY 1 38.093 -8.099 6.704 4 H SER 2 H SER 2 36.076 -8.978 9.058 5 HA SER 2 HA SER 2 35.324 -8.059 11.002 6 HB2 SER 2 1HB SER 2 37.685 -6.309 10.345 7 HB3 SER 2 2HB SER 2 36.732 -6.049 11.806 8 HG SER 2 HG SER 2 38.699 -7.663 11.614 9 H SER 3 H SER 3 33.823 -7.355 8.781 10 HA SER 3 HA SER 3 33.276 -4.497 9.009 11 HB2 SER 3 1HB SER 3 32.252 -6.639 7.140 12 HB3 SER 3 2HB SER 3 31.612 -4.996 7.155 13 HG SER 3 HG SER 3 34.337 -5.680 6.746 14 H GLY 4 H GLY 4 31.600 -7.606 9.411 15 HA2 GLY 4 1HA GLY 4 30.257 -7.581 11.581 16 HA3 GLY 4 2HA GLY 4 29.470 -6.179 10.871 17 H SER 5 H SER 5 27.452 -6.816 10.439 18 HA SER 5 HA SER 5 27.116 -9.254 8.818 19 HB2 SER 5 1HB SER 5 25.575 -8.294 11.199 20 HB3 SER 5 2HB SER 5 24.739 -9.217 9.951 21 HG SER 5 HG SER 5 25.595 -10.931 10.783 22 H SER 6 H SER 6 26.747 -8.529 6.818 23 HA SER 6 HA SER 6 24.832 -6.317 6.470 24 HB2 SER 6 1HB SER 6 25.947 -5.700 4.473 25 HB3 SER 6 2HB SER 6 27.235 -6.038 5.628 26 HG SER 6 HG SER 6 27.030 -8.284 4.619 27 H GLY 7 H GLY 7 23.562 -6.429 4.405 28 HA2 GLY 7 1HA GLY 7 23.170 -8.934 3.109 29 HA3 GLY 7 2HA GLY 7 21.938 -8.667 4.334 30 HA PRO 8 HA PRO 8 20.593 -6.741 0.300 31 HB2 PRO 8 1HB PRO 8 18.188 -7.996 0.201 32 HB3 PRO 8 2HB PRO 8 19.665 -8.696 -0.473 33 HG2 PRO 8 1HG PRO 8 18.330 -9.252 2.148 34 HG3 PRO 8 2HG PRO 8 19.046 -10.391 0.993 35 HD2 PRO 8 1HD PRO 8 20.334 -9.589 3.236 36 HD3 PRO 8 2HD PRO 8 21.191 -9.990 1.734 37 H VAL 9 H VAL 9 18.294 -5.724 -0.053 38 HA VAL 9 HA VAL 9 17.915 -3.770 1.918 39 HB VAL 9 HB VAL 9 15.904 -4.609 -0.173 40 HG11 VAL 9 1HG1 VAL 9 16.190 -1.790 0.617 41 HG12 VAL 9 2HG1 VAL 9 14.738 -2.740 0.295 42 HG13 VAL 9 3HG1 VAL 9 15.544 -2.861 1.860 43 HG21 VAL 9 1HG2 VAL 9 17.675 -2.310 -0.677 44 HG22 VAL 9 2HG2 VAL 9 18.447 -3.895 -0.734 45 HG23 VAL 9 3HG2 VAL 9 17.073 -3.545 -1.783 46 H ARG 10 H ARG 10 16.620 -3.612 3.659 47 HA ARG 10 HA ARG 10 14.881 -5.914 4.256 48 HB2 ARG 10 1HB ARG 10 16.574 -4.172 6.025 49 HB3 ARG 10 2HB ARG 10 15.207 -5.062 6.682 50 HG2 ARG 10 1HG ARG 10 16.179 -7.153 6.060 51 HG3 ARG 10 2HG ARG 10 17.467 -6.343 5.166 52 HD2 ARG 10 1HD ARG 10 18.132 -5.269 7.356 53 HD3 ARG 10 2HD ARG 10 17.018 -6.388 8.141 54 HE ARG 10 HE ARG 10 18.972 -7.635 6.421 55 HH11 ARG 10 2HH1 ARG 10 18.220 -6.544 9.640 56 HH12 ARG 10 1HH1 ARG 10 19.362 -7.599 10.405 57 HH21 ARG 10 2HH2 ARG 10 20.479 -9.029 7.416 58 HH22 ARG 10 1HH2 ARG 10 20.647 -9.011 9.139 59 H PHE 11 H PHE 11 13.212 -5.194 6.061 60 HA PHE 11 HA PHE 11 11.855 -2.812 4.993 61 HB2 PHE 11 1HB PHE 11 10.881 -5.442 5.995 62 HB3 PHE 11 2HB PHE 11 9.867 -4.033 6.288 63 HD1 PHE 11 2HD PHE 11 9.685 -2.462 4.088 64 HD2 PHE 11 1HD PHE 11 10.389 -6.659 4.128 65 HE1 PHE 11 2HE PHE 11 8.793 -2.629 1.802 66 HE2 PHE 11 1HE PHE 11 9.498 -6.833 1.841 67 HZ PHE 11 HZ PHE 11 8.698 -4.817 0.675 68 H GLN 12 H GLN 12 13.152 -1.469 6.409 69 HA GLN 12 HA GLN 12 13.219 -1.693 9.194 70 HB2 GLN 12 1HB GLN 12 14.613 -0.166 7.724 71 HB3 GLN 12 2HB GLN 12 13.225 0.913 7.675 72 HG2 GLN 12 1HG GLN 12 15.002 1.470 9.362 73 HG3 GLN 12 2HG GLN 12 13.355 1.355 9.982 74 HE21 GLN 12 1HE2 GLN 12 13.916 0.890 12.066 75 HE22 GLN 12 2HE2 GLN 12 14.665 -0.592 12.541 76 H GLU 13 H GLU 13 11.034 0.222 7.136 77 HA GLU 13 HA GLU 13 9.061 0.144 9.312 78 HB2 GLU 13 1HB GLU 13 10.331 2.382 9.053 79 HB3 GLU 13 2HB GLU 13 9.384 2.582 7.586 80 HG2 GLU 13 1HG GLU 13 7.325 2.320 8.949 81 HG3 GLU 13 2HG GLU 13 8.338 2.299 10.391 82 H ALA 14 H ALA 14 8.485 -1.703 7.790 83 HA ALA 14 HA ALA 14 7.413 -1.191 5.232 84 HB1 ALA 14 1HB ALA 14 7.758 -3.440 6.932 85 HB2 ALA 14 2HB ALA 14 6.085 -3.420 6.374 86 HB3 ALA 14 3HB ALA 14 7.405 -3.407 5.204 87 H LEU 15 H LEU 15 4.938 -2.107 4.999 88 HA LEU 15 HA LEU 15 3.296 0.028 5.660 89 HB2 LEU 15 1HB LEU 15 2.441 -2.818 5.159 90 HB3 LEU 15 2HB LEU 15 1.429 -1.383 5.012 91 HG LEU 15 HG LEU 15 3.842 -1.940 3.290 92 HD11 LEU 15 1HD1 LEU 15 2.579 -3.068 1.818 93 HD12 LEU 15 2HD1 LEU 15 1.158 -2.066 2.109 94 HD13 LEU 15 3HD1 LEU 15 1.549 -3.383 3.215 95 HD21 LEU 15 1HD2 LEU 15 1.825 0.239 3.463 96 HD22 LEU 15 2HD2 LEU 15 2.414 -0.234 1.869 97 HD23 LEU 15 3HD2 LEU 15 3.549 0.318 3.102 98 H LYS 16 H LYS 16 1.230 -0.161 6.971 99 HA LYS 16 HA LYS 16 1.454 -1.802 9.360 100 HB2 LYS 16 1HB LYS 16 1.532 1.214 9.413 101 HB3 LYS 16 2HB LYS 16 1.096 0.245 10.814 102 HG2 LYS 16 1HG LYS 16 3.311 -0.893 10.614 103 HG3 LYS 16 2HG LYS 16 3.731 0.281 9.365 104 HD2 LYS 16 1HD LYS 16 3.139 2.068 11.093 105 HD3 LYS 16 2HD LYS 16 3.179 0.762 12.281 106 HE2 LYS 16 1HE LYS 16 5.450 1.489 10.434 107 HE3 LYS 16 2HE LYS 16 5.315 2.004 12.114 108 HZ1 LYS 16 1HZ LYS 16 6.565 -0.229 11.289 109 HZ2 LYS 16 2HZ LYS 16 5.049 -0.840 11.723 110 HZ3 LYS 16 3HZ LYS 16 5.971 0.015 12.854 111 H ASP 17 H ASP 17 -0.484 -1.243 10.872 112 HA ASP 17 HA ASP 17 -2.853 -1.616 9.334 113 HB2 ASP 17 1HB ASP 17 -3.988 -1.511 11.585 114 HB3 ASP 17 2HB ASP 17 -2.716 -2.723 11.448 115 H LEU 18 H LEU 18 -3.905 -0.053 8.316 116 HA LEU 18 HA LEU 18 -3.848 2.664 9.438 117 HB2 LEU 18 1HB LEU 18 -4.012 1.569 6.683 118 HB3 LEU 18 2HB LEU 18 -4.837 3.091 7.012 119 HG LEU 18 HG LEU 18 -2.590 3.918 7.903 120 HD11 LEU 18 1HD1 LEU 18 -1.768 1.355 6.578 121 HD12 LEU 18 2HD1 LEU 18 -1.333 1.964 8.175 122 HD13 LEU 18 3HD1 LEU 18 -0.664 2.722 6.730 123 HD21 LEU 18 1HD2 LEU 18 -3.499 3.530 5.144 124 HD22 LEU 18 2HD2 LEU 18 -1.777 3.874 5.306 125 HD23 LEU 18 3HD2 LEU 18 -2.967 4.994 5.971 126 H GLU 19 H GLU 19 -5.798 3.938 9.359 127 HA GLU 19 HA GLU 19 -8.287 2.400 9.162 128 HB2 GLU 19 1HB GLU 19 -7.362 2.662 11.575 129 HB3 GLU 19 2HB GLU 19 -7.886 4.333 11.424 130 HG2 GLU 19 1HG GLU 19 -10.165 3.597 11.001 131 HG3 GLU 19 2HG GLU 19 -9.650 1.914 11.111 132 H VAL 20 H VAL 20 -9.459 3.388 7.665 133 HA VAL 20 HA VAL 20 -9.648 6.324 7.740 134 HB VAL 20 HB VAL 20 -9.649 4.780 5.154 135 HG11 VAL 20 1HG1 VAL 20 -8.793 7.322 4.647 136 HG12 VAL 20 2HG1 VAL 20 -10.458 6.760 4.482 137 HG13 VAL 20 3HG1 VAL 20 -9.944 7.579 5.958 138 HG21 VAL 20 1HG2 VAL 20 -7.469 4.665 6.554 139 HG22 VAL 20 2HG2 VAL 20 -7.375 5.107 4.850 140 HG23 VAL 20 3HG2 VAL 20 -7.284 6.356 6.091 141 H LEU 21 H LEU 21 -11.619 7.196 6.895 142 HA LEU 21 HA LEU 21 -13.872 5.384 7.287 143 HB2 LEU 21 1HB LEU 21 -13.627 7.658 8.418 144 HB3 LEU 21 2HB LEU 21 -14.015 8.352 6.845 145 HG LEU 21 HG LEU 21 -16.126 6.778 7.060 146 HD11 LEU 21 1HD1 LEU 21 -15.763 7.453 9.947 147 HD12 LEU 21 2HD1 LEU 21 -15.106 5.950 9.301 148 HD13 LEU 21 3HD1 LEU 21 -16.836 6.272 9.195 149 HD21 LEU 21 1HD2 LEU 21 -17.319 8.682 8.132 150 HD22 LEU 21 2HD2 LEU 21 -16.282 9.153 6.785 151 HD23 LEU 21 3HD2 LEU 21 -15.752 9.429 8.445 152 H GLU 22 H GLU 22 -15.512 5.082 5.784 153 HA GLU 22 HA GLU 22 -14.778 4.959 3.093 154 HB2 GLU 22 1HB GLU 22 -16.508 3.520 3.874 155 HB3 GLU 22 2HB GLU 22 -17.476 4.876 4.436 156 HG2 GLU 22 1HG GLU 22 -18.539 4.215 2.489 157 HG3 GLU 22 2HG GLU 22 -17.557 5.585 1.976 158 H GLY 23 H GLY 23 -14.550 6.511 1.633 159 HA2 GLY 23 1HA GLY 23 -15.850 8.258 0.402 160 HA3 GLY 23 2HA GLY 23 -16.129 8.987 1.977 161 H GLY 24 H GLY 24 -13.071 7.557 1.018 162 HA2 GLY 24 1HA GLY 24 -11.912 10.139 0.371 163 HA3 GLY 24 2HA GLY 24 -11.362 9.434 1.884 164 H ALA 25 H ALA 25 -9.258 9.081 1.288 165 HA ALA 25 HA ALA 25 -8.861 6.943 -0.687 166 HB1 ALA 25 1HB ALA 25 -8.018 8.523 -2.052 167 HB2 ALA 25 2HB ALA 25 -7.727 9.659 -0.733 168 HB3 ALA 25 3HB ALA 25 -6.586 8.350 -1.037 169 H ALA 26 H ALA 26 -6.934 5.690 -0.371 170 HA ALA 26 HA ALA 26 -5.953 5.798 2.406 171 HB1 ALA 26 1HB ALA 26 -7.232 3.800 2.033 172 HB2 ALA 26 2HB ALA 26 -6.304 3.425 0.580 173 HB3 ALA 26 3HB ALA 26 -5.528 3.363 2.163 174 H THR 27 H THR 27 -3.903 6.369 2.636 175 HA THR 27 HA THR 27 -2.064 5.978 0.369 176 HB THR 27 HB THR 27 -1.739 7.938 2.647 177 HG1 THR 27 1HG THR 27 -3.558 8.212 0.996 178 HG21 THR 27 1HG2 THR 27 -0.392 7.959 -0.045 179 HG22 THR 27 2HG2 THR 27 0.296 7.122 1.347 180 HG23 THR 27 3HG2 THR 27 0.041 8.866 1.404 181 H LEU 28 H LEU 28 -0.871 4.208 0.662 182 HA LEU 28 HA LEU 28 -0.123 3.357 3.342 183 HB2 LEU 28 1HB LEU 28 0.201 2.117 0.621 184 HB3 LEU 28 2HB LEU 28 0.897 1.416 2.080 185 HG LEU 28 HG LEU 28 -1.634 1.583 2.891 186 HD11 LEU 28 1HD1 LEU 28 -3.160 1.047 1.074 187 HD12 LEU 28 2HD1 LEU 28 -1.853 1.231 -0.095 188 HD13 LEU 28 3HD1 LEU 28 -2.418 2.627 0.823 189 HD21 LEU 28 1HD2 LEU 28 0.006 -0.462 1.608 190 HD22 LEU 28 2HD2 LEU 28 -1.727 -0.769 1.488 191 HD23 LEU 28 3HD2 LEU 28 -0.978 -0.547 3.070 192 H ARG 29 H ARG 29 1.735 3.908 4.253 193 HA ARG 29 HA ARG 29 3.947 4.782 2.514 194 HB2 ARG 29 1HB ARG 29 2.972 5.730 5.174 195 HB3 ARG 29 2HB ARG 29 4.687 5.864 4.808 196 HG2 ARG 29 1HG ARG 29 4.180 7.197 2.838 197 HG3 ARG 29 2HG ARG 29 2.453 7.033 3.162 198 HD2 ARG 29 1HD ARG 29 4.415 8.273 5.083 199 HD3 ARG 29 2HD ARG 29 3.471 9.196 3.914 200 HE ARG 29 HE ARG 29 1.718 7.614 5.413 201 HH11 ARG 29 2HH1 ARG 29 3.854 10.331 5.829 202 HH12 ARG 29 1HH1 ARG 29 2.931 11.025 7.122 203 HH21 ARG 29 2HH2 ARG 29 0.495 8.516 7.114 204 HH22 ARG 29 1HH2 ARG 29 1.022 9.991 7.852 205 H CYS 30 H CYS 30 6.085 4.188 3.087 206 HA CYS 30 HA CYS 30 6.684 2.467 5.259 207 HB2 CYS 30 1HB CYS 30 7.184 0.421 3.934 208 HB3 CYS 30 2HB CYS 30 5.468 0.802 3.994 209 HG CYS 30 HG CYS 30 5.171 1.529 1.433 210 H VAL 31 H VAL 31 8.803 2.592 5.666 211 HA VAL 31 HA VAL 31 10.530 3.715 3.566 212 HB VAL 31 HB VAL 31 10.866 3.745 6.569 213 HG11 VAL 31 1HG1 VAL 31 13.055 3.739 5.907 214 HG12 VAL 31 2HG1 VAL 31 12.698 4.461 4.337 215 HG13 VAL 31 3HG1 VAL 31 12.709 5.464 5.788 216 HG21 VAL 31 1HG2 VAL 31 10.781 6.284 5.144 217 HG22 VAL 31 2HG2 VAL 31 9.292 5.353 4.984 218 HG23 VAL 31 3HG2 VAL 31 9.907 5.765 6.585 219 H LEU 32 H LEU 32 12.002 2.440 2.671 220 HA LEU 32 HA LEU 32 12.545 -0.169 3.820 221 HB2 LEU 32 1HB LEU 32 13.660 1.013 1.286 222 HB3 LEU 32 2HB LEU 32 13.614 -0.688 1.746 223 HG LEU 32 HG LEU 32 11.035 0.773 1.444 224 HD11 LEU 32 1HD1 LEU 32 12.940 0.812 -0.597 225 HD12 LEU 32 2HD1 LEU 32 11.215 1.153 -0.734 226 HD13 LEU 32 3HD1 LEU 32 11.817 -0.479 -1.026 227 HD21 LEU 32 1HD2 LEU 32 10.759 -1.421 2.173 228 HD22 LEU 32 2HD2 LEU 32 12.045 -2.033 1.131 229 HD23 LEU 32 3HD2 LEU 32 10.504 -1.533 0.431 230 H SER 33 H SER 33 14.581 -0.935 4.400 231 HA SER 33 HA SER 33 16.227 0.656 5.883 232 HB2 SER 33 1HB SER 33 17.871 -1.111 5.810 233 HB3 SER 33 2HB SER 33 16.269 -1.850 5.808 234 HG SER 33 HG SER 33 18.221 -2.110 4.009 235 H SER 34 H SER 34 16.520 -0.072 2.436 236 HA SER 34 HA SER 34 18.409 2.171 2.204 237 HB2 SER 34 1HB SER 34 18.632 -0.581 0.996 238 HB3 SER 34 2HB SER 34 19.463 0.806 0.293 239 HG SER 34 HG SER 34 19.860 -0.437 2.783 240 H VAL 35 H VAL 35 18.481 3.139 0.052 241 HA VAL 35 HA VAL 35 15.828 3.406 -1.037 242 HB VAL 35 HB VAL 35 18.378 4.671 -2.043 243 HG11 VAL 35 1HG1 VAL 35 15.591 4.804 -2.837 244 HG12 VAL 35 2HG1 VAL 35 16.254 6.393 -2.451 245 HG13 VAL 35 3HG1 VAL 35 17.032 5.384 -3.671 246 HG21 VAL 35 1HG2 VAL 35 16.503 6.209 -0.355 247 HG22 VAL 35 2HG2 VAL 35 17.492 5.001 0.466 248 HG23 VAL 35 3HG2 VAL 35 18.262 6.288 -0.461 249 H ALA 36 H ALA 36 15.209 1.644 -2.189 250 HA ALA 36 HA ALA 36 16.799 1.026 -4.585 251 HB1 ALA 36 1HB ALA 36 15.939 -1.381 -4.255 252 HB2 ALA 36 2HB ALA 36 17.296 -0.828 -3.273 253 HB3 ALA 36 3HB ALA 36 15.676 -0.895 -2.580 254 H ALA 37 H ALA 37 15.624 0.430 -6.420 255 HA ALA 37 HA ALA 37 12.822 0.018 -6.440 256 HB1 ALA 37 1HB ALA 37 12.795 2.370 -7.912 257 HB2 ALA 37 2HB ALA 37 12.087 2.114 -6.317 258 HB3 ALA 37 3HB ALA 37 13.718 2.768 -6.462 259 HA PRO 38 HA PRO 38 11.277 1.099 -8.217 260 HB2 PRO 38 1HB PRO 38 9.705 -0.559 -9.683 261 HB3 PRO 38 2HB PRO 38 10.440 0.905 -10.348 262 HG2 PRO 38 1HG PRO 38 11.340 -1.941 -10.583 263 HG3 PRO 38 2HG PRO 38 11.282 -0.680 -11.828 264 HD2 PRO 38 1HD PRO 38 13.571 -1.366 -10.554 265 HD3 PRO 38 2HD PRO 38 13.251 0.287 -11.119 266 H VAL 39 H VAL 39 9.239 -0.108 -7.408 267 HA VAL 39 HA VAL 39 10.119 -2.446 -5.841 268 HB VAL 39 HB VAL 39 9.719 -0.716 -4.292 269 HG11 VAL 39 1HG1 VAL 39 7.251 -0.113 -5.904 270 HG12 VAL 39 2HG1 VAL 39 7.536 0.552 -4.294 271 HG13 VAL 39 3HG1 VAL 39 8.644 0.928 -5.614 272 HG21 VAL 39 1HG2 VAL 39 7.014 -1.937 -4.171 273 HG22 VAL 39 2HG2 VAL 39 8.409 -3.013 -4.097 274 HG23 VAL 39 3HG2 VAL 39 8.221 -1.730 -2.901 275 H LYS 40 H LYS 40 8.707 -4.176 -5.577 276 HA LYS 40 HA LYS 40 6.544 -4.292 -7.562 277 HB2 LYS 40 1HB LYS 40 8.472 -5.963 -7.603 278 HB3 LYS 40 2HB LYS 40 7.787 -6.636 -6.130 279 HG2 LYS 40 1HG LYS 40 5.969 -7.511 -7.208 280 HG3 LYS 40 2HG LYS 40 6.021 -6.311 -8.501 281 HD2 LYS 40 1HD LYS 40 8.325 -7.500 -9.024 282 HD3 LYS 40 2HD LYS 40 7.546 -8.848 -8.192 283 HE2 LYS 40 1HE LYS 40 5.896 -9.054 -9.795 284 HE3 LYS 40 2HE LYS 40 6.069 -7.385 -10.337 285 HZ1 LYS 40 1HZ LYS 40 7.250 -9.682 -11.409 286 HZ2 LYS 40 2HZ LYS 40 8.490 -8.713 -10.791 287 HZ3 LYS 40 3HZ LYS 40 7.412 -8.081 -11.932 288 H TRP 41 H TRP 41 4.539 -4.103 -6.838 289 HA TRP 41 HA TRP 41 3.977 -4.547 -4.010 290 HB2 TRP 41 1HB TRP 41 2.469 -3.211 -6.247 291 HB3 TRP 41 2HB TRP 41 1.688 -3.599 -4.717 292 HD1 TRP 41 HD TRP 41 4.408 -1.329 -6.193 293 HE1 TRP 41 1HE TRP 41 4.850 0.594 -4.540 294 HE3 TRP 41 3HE TRP 41 1.535 -2.942 -2.284 295 HZ2 TRP 41 2HZ TRP 41 4.083 1.329 -1.925 296 HZ3 TRP 41 3HZ TRP 41 1.444 -1.571 -0.243 297 HH2 TRP 41 HH TRP 41 2.693 0.519 -0.069 298 H CYS 42 H CYS 42 2.024 -5.723 -3.374 299 HA CYS 42 HA CYS 42 0.977 -7.652 -5.274 300 HB2 CYS 42 1HB CYS 42 2.811 -8.358 -3.030 301 HB3 CYS 42 2HB CYS 42 1.471 -9.445 -3.377 302 HG CYS 42 HG CYS 42 2.385 -9.377 -6.233 303 H TYR 43 H TYR 43 -1.142 -7.689 -4.983 304 HA TYR 43 HA TYR 43 -2.243 -7.756 -2.288 305 HB2 TYR 43 1HB TYR 43 -2.393 -5.441 -2.543 306 HB3 TYR 43 2HB TYR 43 -2.724 -5.552 -4.268 307 HD1 TYR 43 2HD TYR 43 -4.283 -6.752 -1.082 308 HD2 TYR 43 1HD TYR 43 -4.857 -4.976 -4.906 309 HE1 TYR 43 2HE TYR 43 -6.693 -6.561 -0.625 310 HE2 TYR 43 1HE TYR 43 -7.267 -4.779 -4.459 311 HH TYR 43 HH TYR 43 -8.956 -5.545 -3.092 312 H GLY 44 H GLY 44 -3.343 -9.611 -2.385 313 HA2 GLY 44 1HA GLY 44 -4.640 -11.326 -3.241 314 HA3 GLY 44 2HA GLY 44 -5.744 -9.998 -3.564 315 H ASN 45 H ASN 45 -6.028 -9.272 -5.642 316 HA ASN 45 HA ASN 45 -5.793 -11.003 -7.747 317 HB2 ASN 45 1HB ASN 45 -6.266 -9.151 -9.213 318 HB3 ASN 45 2HB ASN 45 -7.151 -8.900 -7.712 319 HD21 ASN 45 1HD2 ASN 45 -6.731 -7.141 -6.489 320 HD22 ASN 45 2HD2 ASN 45 -5.596 -5.912 -6.919 321 H ASN 46 H ASN 46 -4.513 -10.602 -9.817 322 HA ASN 46 HA ASN 46 -1.869 -11.206 -9.481 323 HB2 ASN 46 1HB ASN 46 -3.192 -11.333 -11.622 324 HB3 ASN 46 2HB ASN 46 -2.921 -9.604 -11.818 325 HD21 ASN 46 1HD2 ASN 46 -1.777 -9.894 -13.719 326 HD22 ASN 46 2HD2 ASN 46 -0.174 -10.538 -13.743 327 H VAL 47 H VAL 47 0.039 -9.859 -10.280 328 HA VAL 47 HA VAL 47 0.690 -7.885 -8.529 329 HB VAL 47 HB VAL 47 2.292 -8.937 -10.090 330 HG11 VAL 47 1HG1 VAL 47 1.431 -6.953 -12.167 331 HG12 VAL 47 2HG1 VAL 47 2.456 -8.378 -12.350 332 HG13 VAL 47 3HG1 VAL 47 0.722 -8.565 -12.087 333 HG21 VAL 47 1HG2 VAL 47 2.272 -6.285 -9.145 334 HG22 VAL 47 2HG2 VAL 47 3.671 -7.285 -9.537 335 HG23 VAL 47 3HG2 VAL 47 2.963 -6.239 -10.767 336 H LEU 48 H LEU 48 0.541 -5.677 -8.393 337 HA LEU 48 HA LEU 48 -1.582 -4.458 -9.961 338 HB2 LEU 48 1HB LEU 48 0.008 -3.352 -7.651 339 HB3 LEU 48 2HB LEU 48 -1.422 -2.616 -8.372 340 HG LEU 48 HG LEU 48 -1.431 -5.293 -6.986 341 HD11 LEU 48 1HD1 LEU 48 -2.779 -3.714 -5.310 342 HD12 LEU 48 2HD1 LEU 48 -1.622 -2.538 -5.931 343 HD13 LEU 48 3HD1 LEU 48 -1.047 -4.015 -5.158 344 HD21 LEU 48 1HD2 LEU 48 -3.433 -3.623 -8.369 345 HD22 LEU 48 2HD2 LEU 48 -3.942 -4.352 -6.846 346 HD23 LEU 48 3HD2 LEU 48 -3.359 -5.373 -8.161 347 H ARG 49 H ARG 49 -1.351 -2.485 -11.090 348 HA ARG 49 HA ARG 49 1.410 -1.702 -11.727 349 HB2 ARG 49 1HB ARG 49 -0.801 -1.976 -13.768 350 HB3 ARG 49 2HB ARG 49 0.871 -1.529 -14.080 351 HG2 ARG 49 1HG ARG 49 1.567 -3.769 -13.278 352 HG3 ARG 49 2HG ARG 49 -0.138 -4.200 -13.128 353 HD2 ARG 49 1HD ARG 49 0.804 -5.010 -15.232 354 HD3 ARG 49 2HD ARG 49 -0.458 -3.811 -15.512 355 HE ARG 49 HE ARG 49 2.364 -3.546 -16.096 356 HH11 ARG 49 2HH1 ARG 49 -0.691 -1.932 -15.669 357 HH12 ARG 49 1HH1 ARG 49 -0.225 -0.530 -16.575 358 HH21 ARG 49 2HH2 ARG 49 2.989 -1.706 -17.291 359 HH22 ARG 49 1HH2 ARG 49 1.868 -0.403 -17.498 360 HA PRO 50 HA PRO 50 0.003 2.401 -11.006 361 HB2 PRO 50 1HB PRO 50 1.821 3.772 -12.484 362 HB3 PRO 50 2HB PRO 50 2.221 2.997 -10.947 363 HG2 PRO 50 1HG PRO 50 2.692 2.024 -13.738 364 HG3 PRO 50 2HG PRO 50 3.777 1.969 -12.336 365 HD2 PRO 50 1HD PRO 50 2.349 -0.180 -13.158 366 HD3 PRO 50 2HD PRO 50 2.744 0.108 -11.452 367 H GLY 51 H GLY 51 -1.265 3.986 -11.922 368 HA2 GLY 51 1HA GLY 51 -1.448 4.499 -14.698 369 HA3 GLY 51 2HA GLY 51 -2.728 3.396 -14.219 370 H ASP 52 H ASP 52 -4.544 4.557 -14.197 371 HA ASP 52 HA ASP 52 -4.516 7.294 -13.197 372 HB2 ASP 52 1HB ASP 52 -6.640 5.631 -14.555 373 HB3 ASP 52 2HB ASP 52 -6.938 7.252 -13.934 374 H LYS 53 H LYS 53 -6.267 4.261 -12.559 375 HA LYS 53 HA LYS 53 -7.727 5.141 -10.349 376 HB2 LYS 53 1HB LYS 53 -8.023 2.978 -11.628 377 HB3 LYS 53 2HB LYS 53 -6.657 2.343 -10.721 378 HG2 LYS 53 1HG LYS 53 -8.605 1.583 -9.630 379 HG3 LYS 53 2HG LYS 53 -7.942 2.873 -8.624 380 HD2 LYS 53 1HD LYS 53 -9.555 4.392 -10.000 381 HD3 LYS 53 2HD LYS 53 -10.385 2.873 -10.348 382 HE2 LYS 53 1HE LYS 53 -10.967 2.535 -8.136 383 HE3 LYS 53 2HE LYS 53 -9.671 3.565 -7.530 384 HZ1 LYS 53 1HZ LYS 53 -12.255 4.297 -7.748 385 HZ2 LYS 53 2HZ LYS 53 -11.599 4.946 -9.165 386 HZ3 LYS 53 3HZ LYS 53 -10.952 5.373 -7.662 387 H TYR 54 H TYR 54 -4.758 3.159 -10.293 388 HA TYR 54 HA TYR 54 -4.320 3.893 -7.513 389 HB2 TYR 54 1HB TYR 54 -2.839 2.016 -9.364 390 HB3 TYR 54 2HB TYR 54 -2.396 2.298 -7.684 391 HD1 TYR 54 1HD TYR 54 -4.731 2.187 -6.138 392 HD2 TYR 54 2HD TYR 54 -3.856 -0.024 -9.667 393 HE1 TYR 54 1HE TYR 54 -6.306 0.438 -5.426 394 HE2 TYR 54 2HE TYR 54 -5.430 -1.779 -8.965 395 HH TYR 54 HH TYR 54 -7.737 -1.408 -6.769 396 H SER 55 H SER 55 -1.908 4.305 -6.948 397 HA SER 55 HA SER 55 -0.487 5.897 -8.910 398 HB2 SER 55 1HB SER 55 -1.960 7.079 -6.607 399 HB3 SER 55 2HB SER 55 -0.368 7.740 -6.980 400 HG SER 55 HG SER 55 -1.574 8.889 -8.311 401 H LEU 56 H LEU 56 1.496 5.097 -8.758 402 HA LEU 56 HA LEU 56 2.561 4.458 -6.088 403 HB2 LEU 56 1HB LEU 56 3.217 3.344 -8.805 404 HB3 LEU 56 2HB LEU 56 4.204 3.042 -7.377 405 HG LEU 56 HG LEU 56 1.870 2.201 -6.418 406 HD11 LEU 56 1HD1 LEU 56 0.350 1.444 -7.932 407 HD12 LEU 56 2HD1 LEU 56 1.555 1.216 -9.199 408 HD13 LEU 56 3HD1 LEU 56 0.965 2.835 -8.825 409 HD21 LEU 56 1HD2 LEU 56 3.810 0.827 -6.426 410 HD22 LEU 56 2HD2 LEU 56 3.784 0.690 -8.184 411 HD23 LEU 56 3HD2 LEU 56 2.526 -0.085 -7.221 412 H ARG 57 H ARG 57 4.359 5.449 -5.375 413 HA ARG 57 HA ARG 57 6.007 6.960 -7.263 414 HB2 ARG 57 1HB ARG 57 4.218 8.440 -6.207 415 HB3 ARG 57 2HB ARG 57 5.063 8.200 -4.683 416 HG2 ARG 57 1HG ARG 57 5.914 10.209 -5.442 417 HG3 ARG 57 2HG ARG 57 7.137 9.046 -5.958 418 HD2 ARG 57 1HD ARG 57 5.792 8.963 -8.162 419 HD3 ARG 57 2HD ARG 57 5.071 10.469 -7.596 420 HE ARG 57 HE ARG 57 7.946 10.463 -7.541 421 HH11 ARG 57 2HH1 ARG 57 5.114 11.060 -9.476 422 HH12 ARG 57 1HH1 ARG 57 5.923 12.145 -10.558 423 HH21 ARG 57 2HH2 ARG 57 9.022 11.889 -8.959 424 HH22 ARG 57 1HH2 ARG 57 8.146 12.615 -10.264 425 H GLN 58 H GLN 58 8.145 7.211 -6.647 426 HA GLN 58 HA GLN 58 8.933 5.877 -4.143 427 HB2 GLN 58 1HB GLN 58 9.575 4.307 -5.740 428 HB3 GLN 58 2HB GLN 58 10.010 5.537 -6.919 429 HG2 GLN 58 1HG GLN 58 12.012 4.520 -6.145 430 HG3 GLN 58 2HG GLN 58 11.939 6.150 -5.477 431 HE21 GLN 58 1HE2 GLN 58 13.084 5.925 -3.654 432 HE22 GLN 58 2HE2 GLN 58 12.697 4.830 -2.375 433 H GLU 59 H GLU 59 10.326 6.955 -2.878 434 HA GLU 59 HA GLU 59 12.136 8.930 -3.918 435 HB2 GLU 59 1HB GLU 59 10.004 10.196 -3.809 436 HB3 GLU 59 2HB GLU 59 9.908 9.844 -2.089 437 HG2 GLU 59 1HG GLU 59 12.250 11.278 -3.293 438 HG3 GLU 59 2HG GLU 59 10.794 12.123 -2.770 439 H GLY 60 H GLY 60 13.886 9.104 -2.639 440 HA2 GLY 60 1HA GLY 60 15.326 8.299 -0.994 441 HA3 GLY 60 2HA GLY 60 14.236 9.254 0.001 442 H ALA 61 H ALA 61 14.274 6.044 -1.557 443 HA ALA 61 HA ALA 61 13.486 4.021 -0.842 444 HB1 ALA 61 1HB ALA 61 14.867 3.253 0.728 445 HB2 ALA 61 2HB ALA 61 15.485 4.901 0.854 446 HB3 ALA 61 3HB ALA 61 14.216 4.349 1.946 447 H MET 62 H MET 62 11.421 5.774 -0.963 448 HA MET 62 HA MET 62 9.733 4.843 1.230 449 HB2 MET 62 1HB MET 62 10.540 7.120 1.836 450 HB3 MET 62 2HB MET 62 9.801 7.739 0.365 451 HG2 MET 62 1HG MET 62 8.125 6.219 2.298 452 HG3 MET 62 2HG MET 62 8.563 7.887 2.659 453 HE1 MET 62 1HE MET 62 5.116 8.627 1.781 454 HE2 MET 62 2HE MET 62 6.448 8.553 2.935 455 HE3 MET 62 3HE MET 62 6.406 9.828 1.716 456 H LEU 63 H LEU 63 7.872 4.061 0.482 457 HA LEU 63 HA LEU 63 7.103 4.718 -2.277 458 HB2 LEU 63 1HB LEU 63 6.319 2.376 -0.547 459 HB3 LEU 63 2HB LEU 63 5.796 2.639 -2.209 460 HG LEU 63 HG LEU 63 7.498 1.002 -2.285 461 HD11 LEU 63 1HD1 LEU 63 8.851 3.606 -2.965 462 HD12 LEU 63 2HD1 LEU 63 7.623 2.834 -3.968 463 HD13 LEU 63 3HD1 LEU 63 9.159 2.019 -3.672 464 HD21 LEU 63 1HD2 LEU 63 8.430 2.164 0.033 465 HD22 LEU 63 2HD2 LEU 63 9.698 2.523 -1.140 466 HD23 LEU 63 3HD2 LEU 63 9.204 0.853 -0.856 467 H GLU 64 H GLU 64 4.779 4.839 -2.751 468 HA GLU 64 HA GLU 64 3.009 5.446 -0.539 469 HB2 GLU 64 1HB GLU 64 4.331 7.564 -1.162 470 HB3 GLU 64 2HB GLU 64 3.387 7.561 -2.645 471 HG2 GLU 64 1HG GLU 64 1.336 7.484 -1.124 472 HG3 GLU 64 2HG GLU 64 2.444 7.931 0.172 473 H LEU 65 H LEU 65 1.226 4.363 -1.019 474 HA LEU 65 HA LEU 65 0.359 4.252 -3.833 475 HB2 LEU 65 1HB LEU 65 0.860 2.055 -3.251 476 HB3 LEU 65 2HB LEU 65 0.224 2.243 -1.618 477 HG LEU 65 HG LEU 65 -2.074 2.406 -2.694 478 HD11 LEU 65 1HD1 LEU 65 -2.379 2.101 -4.893 479 HD12 LEU 65 2HD1 LEU 65 -1.123 0.869 -5.000 480 HD13 LEU 65 3HD1 LEU 65 -0.686 2.577 -5.024 481 HD21 LEU 65 1HD2 LEU 65 -1.095 -0.282 -3.347 482 HD22 LEU 65 2HD2 LEU 65 -2.355 0.229 -2.223 483 HD23 LEU 65 3HD2 LEU 65 -0.660 0.294 -1.737 484 H VAL 66 H VAL 66 -1.402 5.394 -4.251 485 HA VAL 66 HA VAL 66 -3.237 6.044 -2.054 486 HB VAL 66 HB VAL 66 -2.983 7.317 -4.782 487 HG11 VAL 66 1HG1 VAL 66 -4.380 9.117 -3.537 488 HG12 VAL 66 2HG1 VAL 66 -5.191 7.695 -4.197 489 HG13 VAL 66 3HG1 VAL 66 -4.826 7.783 -2.474 490 HG21 VAL 66 1HG2 VAL 66 -2.378 9.219 -2.899 491 HG22 VAL 66 2HG2 VAL 66 -1.628 7.767 -2.236 492 HG23 VAL 66 3HG2 VAL 66 -1.206 8.316 -3.858 493 H VAL 67 H VAL 67 -5.462 5.749 -2.246 494 HA VAL 67 HA VAL 67 -6.407 4.200 -4.555 495 HB VAL 67 HB VAL 67 -6.957 3.469 -1.675 496 HG11 VAL 67 1HG1 VAL 67 -8.911 3.005 -2.935 497 HG12 VAL 67 2HG1 VAL 67 -7.973 2.341 -4.274 498 HG13 VAL 67 3HG1 VAL 67 -8.063 1.471 -2.742 499 HG21 VAL 67 1HG2 VAL 67 -5.663 1.606 -3.589 500 HG22 VAL 67 2HG2 VAL 67 -4.683 2.913 -2.925 501 HG23 VAL 67 3HG2 VAL 67 -5.461 1.757 -1.843 502 H ARG 68 H ARG 68 -7.845 5.561 -5.426 503 HA ARG 68 HA ARG 68 -9.504 7.258 -3.770 504 HB2 ARG 68 1HB ARG 68 -9.207 6.916 -6.749 505 HB3 ARG 68 2HB ARG 68 -10.442 7.949 -6.043 506 HG2 ARG 68 1HG ARG 68 -7.537 8.281 -5.382 507 HG3 ARG 68 2HG ARG 68 -8.273 9.047 -6.791 508 HD2 ARG 68 1HD ARG 68 -9.546 9.359 -4.109 509 HD3 ARG 68 2HD ARG 68 -8.126 10.322 -4.512 510 HE ARG 68 HE ARG 68 -10.763 10.767 -5.413 511 HH11 ARG 68 2HH1 ARG 68 -7.462 10.841 -6.515 512 HH12 ARG 68 1HH1 ARG 68 -7.755 12.050 -7.721 513 HH21 ARG 68 2HH2 ARG 68 -11.162 12.359 -6.997 514 HH22 ARG 68 1HH2 ARG 68 -9.859 12.913 -7.993 515 H ASN 69 H ASN 69 -11.861 7.348 -4.086 516 HA ASN 69 HA ASN 69 -13.902 6.363 -3.870 517 HB2 ASN 69 1HB ASN 69 -13.312 6.088 -6.387 518 HB3 ASN 69 2HB ASN 69 -13.088 4.388 -5.984 519 HD21 ASN 69 1HD2 ASN 69 -14.874 4.416 -7.677 520 HD22 ASN 69 2HD2 ASN 69 -16.492 4.445 -7.071 521 H LEU 70 H LEU 70 -12.388 5.540 -1.880 522 HA LEU 70 HA LEU 70 -11.770 2.845 -1.619 523 HB2 LEU 70 1HB LEU 70 -12.560 4.961 0.345 524 HB3 LEU 70 2HB LEU 70 -12.284 3.304 0.876 525 HG LEU 70 HG LEU 70 -10.233 4.996 -0.549 526 HD11 LEU 70 1HD1 LEU 70 -9.770 4.334 2.252 527 HD12 LEU 70 2HD1 LEU 70 -11.146 5.407 2.001 528 HD13 LEU 70 3HD1 LEU 70 -9.553 5.859 1.393 529 HD21 LEU 70 1HD2 LEU 70 -9.053 2.968 0.971 530 HD22 LEU 70 2HD2 LEU 70 -9.160 3.067 -0.786 531 HD23 LEU 70 3HD2 LEU 70 -10.400 2.205 0.126 532 H ARG 71 H ARG 71 -13.019 1.568 0.290 533 HA ARG 71 HA ARG 71 -15.845 1.688 0.283 534 HB2 ARG 71 1HB ARG 71 -16.208 -0.491 -0.947 535 HB3 ARG 71 2HB ARG 71 -15.791 0.890 -1.952 536 HG2 ARG 71 1HG ARG 71 -13.348 -0.037 -1.622 537 HG3 ARG 71 2HG ARG 71 -14.215 -1.545 -1.321 538 HD2 ARG 71 1HD ARG 71 -13.907 -1.665 -3.594 539 HD3 ARG 71 2HD ARG 71 -15.491 -0.896 -3.511 540 HE ARG 71 HE ARG 71 -13.818 1.212 -3.589 541 HH11 ARG 71 2HH1 ARG 71 -14.093 -1.656 -5.543 542 HH12 ARG 71 1HH1 ARG 71 -13.506 -0.889 -6.982 543 HH21 ARG 71 2HH2 ARG 71 -13.044 2.232 -5.477 544 HH22 ARG 71 1HH2 ARG 71 -12.908 1.322 -6.943 545 HA PRO 72 HA PRO 72 -15.183 -0.831 3.821 546 HB2 PRO 72 1HB PRO 72 -17.638 -1.957 4.091 547 HB3 PRO 72 2HB PRO 72 -17.314 -0.259 4.462 548 HG2 PRO 72 1HG PRO 72 -18.519 -1.463 2.000 549 HG3 PRO 72 2HG PRO 72 -19.013 -0.014 2.895 550 HD2 PRO 72 1HD PRO 72 -17.557 0.108 0.615 551 HD3 PRO 72 2HD PRO 72 -17.384 1.296 1.922 552 H GLN 73 H GLN 73 -15.635 -2.101 0.762 553 HA GLN 73 HA GLN 73 -15.292 -4.862 1.732 554 HB2 GLN 73 1HB GLN 73 -16.114 -5.557 -0.519 555 HB3 GLN 73 2HB GLN 73 -17.307 -4.688 0.436 556 HG2 GLN 73 1HG GLN 73 -17.055 -2.728 -0.851 557 HG3 GLN 73 2HG GLN 73 -15.599 -3.342 -1.632 558 HE21 GLN 73 1HE2 GLN 73 -16.004 -5.520 -2.773 559 HE22 GLN 73 2HE2 GLN 73 -17.415 -5.582 -3.768 560 H ASP 74 H ASP 74 -13.163 -2.948 1.527 561 HA ASP 74 HA ASP 74 -11.582 -4.159 -0.646 562 HB2 ASP 74 1HB ASP 74 -11.909 -1.795 -1.079 563 HB3 ASP 74 2HB ASP 74 -11.362 -1.388 0.546 564 H SER 75 H SER 75 -11.854 -3.520 2.719 565 HA SER 75 HA SER 75 -9.206 -3.674 3.563 566 HB2 SER 75 1HB SER 75 -11.660 -4.739 4.982 567 HB3 SER 75 2HB SER 75 -10.106 -4.383 5.735 568 HG SER 75 HG SER 75 -12.117 -2.731 5.351 569 H GLY 76 H GLY 76 -7.915 -5.188 2.639 570 HA2 GLY 76 1HA GLY 76 -8.636 -8.003 3.166 571 HA3 GLY 76 2HA GLY 76 -7.953 -7.511 1.623 572 H ARG 77 H ARG 77 -5.966 -8.335 1.527 573 HA ARG 77 HA ARG 77 -4.158 -7.809 3.789 574 HB2 ARG 77 1HB ARG 77 -4.745 -10.178 3.797 575 HB3 ARG 77 2HB ARG 77 -4.281 -10.318 2.107 576 HG2 ARG 77 1HG ARG 77 -1.960 -9.616 2.820 577 HG3 ARG 77 2HG ARG 77 -2.506 -9.850 4.482 578 HD2 ARG 77 1HD ARG 77 -1.629 -11.918 4.063 579 HD3 ARG 77 2HD ARG 77 -3.290 -12.180 3.534 580 HE ARG 77 HE ARG 77 -1.818 -11.287 1.338 581 HH11 ARG 77 2HH1 ARG 77 -1.977 -14.044 3.458 582 HH12 ARG 77 1HH1 ARG 77 -1.401 -15.160 2.264 583 HH21 ARG 77 2HH2 ARG 77 -1.059 -12.746 -0.243 584 HH22 ARG 77 1HH2 ARG 77 -0.879 -14.420 0.160 585 H TYR 78 H TYR 78 -3.007 -6.145 2.967 586 HA TYR 78 HA TYR 78 -2.060 -6.229 0.219 587 HB2 TYR 78 1HB TYR 78 -2.088 -4.162 2.387 588 HB3 TYR 78 2HB TYR 78 -0.979 -3.980 1.032 589 HD1 TYR 78 2HD TYR 78 -4.517 -4.077 2.028 590 HD2 TYR 78 1HD TYR 78 -1.782 -3.417 -1.164 591 HE1 TYR 78 2HE TYR 78 -6.330 -3.096 0.685 592 HE2 TYR 78 1HE TYR 78 -3.587 -2.433 -2.515 593 HH TYR 78 HH TYR 78 -6.595 -1.557 -1.203 594 H SER 79 H SER 79 0.020 -6.525 -0.415 595 HA SER 79 HA SER 79 2.105 -6.783 1.619 596 HB2 SER 79 1HB SER 79 1.084 -9.054 1.164 597 HB3 SER 79 2HB SER 79 1.691 -8.912 -0.486 598 HG SER 79 HG SER 79 3.758 -8.947 0.268 599 H CYS 80 H CYS 80 4.224 -6.514 0.835 600 HA CYS 80 HA CYS 80 4.421 -5.563 -1.944 601 HB2 CYS 80 1HB CYS 80 4.518 -3.546 -0.790 602 HB3 CYS 80 2HB CYS 80 5.350 -4.257 0.587 603 HG CYS 80 HG CYS 80 6.603 -2.768 -2.090 604 H SER 81 H SER 81 5.704 -6.895 -3.024 605 HA SER 81 HA SER 81 7.694 -8.489 -1.658 606 HB2 SER 81 1HB SER 81 6.518 -9.671 -3.336 607 HB3 SER 81 2HB SER 81 6.712 -8.366 -4.506 608 HG SER 81 HG SER 81 9.020 -9.548 -3.475 609 H PHE 82 H PHE 82 9.805 -8.077 -1.539 610 HA PHE 82 HA PHE 82 11.124 -6.409 -3.503 611 HB2 PHE 82 1HB PHE 82 10.084 -4.997 -1.518 612 HB3 PHE 82 2HB PHE 82 11.526 -5.548 -0.673 613 HD1 PHE 82 1HD PHE 82 10.275 -3.573 -3.506 614 HD2 PHE 82 2HD PHE 82 13.683 -4.694 -1.217 615 HE1 PHE 82 1HE PHE 82 11.576 -1.775 -4.569 616 HE2 PHE 82 2HE PHE 82 14.990 -2.897 -2.275 617 HZ PHE 82 HZ PHE 82 13.936 -1.435 -3.953 618 H GLY 83 H GLY 83 12.971 -7.395 -3.961 619 HA2 GLY 83 1HA GLY 83 14.821 -8.745 -3.771 620 HA3 GLY 83 2HA GLY 83 14.987 -8.032 -2.173 621 H ASP 84 H ASP 84 14.913 -9.378 -0.507 622 HA ASP 84 HA ASP 84 13.604 -11.992 -0.891 623 HB2 ASP 84 1HB ASP 84 15.993 -11.413 0.872 624 HB3 ASP 84 2HB ASP 84 15.271 -12.989 0.558 625 H GLN 85 H GLN 85 12.302 -9.648 0.085 626 HA GLN 85 HA GLN 85 11.612 -10.593 2.776 627 HB2 GLN 85 1HB GLN 85 11.825 -7.666 2.073 628 HB3 GLN 85 2HB GLN 85 11.517 -8.365 3.656 629 HG2 GLN 85 1HG GLN 85 14.042 -9.068 2.255 630 HG3 GLN 85 2HG GLN 85 13.892 -7.473 2.992 631 HE21 GLN 85 1HE2 GLN 85 15.787 -8.629 4.132 632 HE22 GLN 85 2HE2 GLN 85 15.383 -9.418 5.614 633 H THR 86 H THR 86 9.459 -10.225 3.410 634 HA THR 86 HA THR 86 7.640 -9.119 1.403 635 HB THR 86 HB THR 86 7.166 -11.831 2.652 636 HG1 THR 86 1HG THR 86 8.859 -11.875 1.077 637 HG21 THR 86 1HG2 THR 86 5.081 -11.647 1.889 638 HG22 THR 86 2HG2 THR 86 5.672 -11.279 0.269 639 HG23 THR 86 3HG2 THR 86 5.425 -9.979 1.434 640 H THR 87 H THR 87 6.441 -7.657 2.406 641 HA THR 87 HA THR 87 5.816 -8.041 5.255 642 HB THR 87 HB THR 87 7.002 -5.980 4.878 643 HG1 THR 87 1HG THR 87 4.414 -4.961 5.088 644 HG21 THR 87 1HG2 THR 87 5.918 -4.202 3.428 645 HG22 THR 87 2HG2 THR 87 4.918 -5.492 2.759 646 HG23 THR 87 3HG2 THR 87 6.671 -5.548 2.573 647 H SER 88 H SER 88 3.704 -7.588 6.023 648 HA SER 88 HA SER 88 1.589 -7.383 4.007 649 HB2 SER 88 1HB SER 88 0.318 -9.206 5.163 650 HB3 SER 88 2HB SER 88 1.785 -9.766 4.359 651 HG SER 88 HG SER 88 2.821 -9.731 6.393 652 H ALA 89 H ALA 89 -0.204 -6.285 4.668 653 HA ALA 89 HA ALA 89 -0.469 -5.584 7.496 654 HB1 ALA 89 1HB ALA 89 0.679 -3.829 5.685 655 HB2 ALA 89 2HB ALA 89 -0.990 -3.275 5.830 656 HB3 ALA 89 3HB ALA 89 0.018 -3.425 7.270 657 H THR 90 H THR 90 -2.559 -4.194 7.756 658 HA THR 90 HA THR 90 -4.642 -5.169 5.924 659 HB THR 90 HB THR 90 -4.902 -5.173 8.937 660 HG1 THR 90 1HG THR 90 -4.542 -7.314 7.087 661 HG21 THR 90 1HG2 THR 90 -7.008 -4.764 7.739 662 HG22 THR 90 2HG2 THR 90 -7.005 -6.344 8.523 663 HG23 THR 90 3HG2 THR 90 -6.743 -6.222 6.784 664 H LEU 91 H LEU 91 -6.322 -3.778 5.545 665 HA LEU 91 HA LEU 91 -6.064 -1.101 6.740 666 HB2 LEU 91 1HB LEU 91 -5.704 -1.173 4.331 667 HB3 LEU 91 2HB LEU 91 -7.277 -1.937 4.109 668 HG LEU 91 HG LEU 91 -8.379 0.104 4.890 669 HD11 LEU 91 1HD1 LEU 91 -6.486 2.082 4.772 670 HD12 LEU 91 2HD1 LEU 91 -5.650 0.797 5.644 671 HD13 LEU 91 3HD1 LEU 91 -7.188 1.416 6.246 672 HD21 LEU 91 1HD2 LEU 91 -6.476 0.210 2.588 673 HD22 LEU 91 2HD2 LEU 91 -7.461 1.618 2.987 674 HD23 LEU 91 3HD2 LEU 91 -8.235 0.084 2.584 675 H THR 92 H THR 92 -7.932 0.031 7.369 676 HA THR 92 HA THR 92 -10.312 -1.664 7.766 677 HB THR 92 HB THR 92 -9.168 0.439 9.610 678 HG1 THR 92 1HG THR 92 -9.020 -1.361 11.026 679 HG21 THR 92 1HG2 THR 92 -11.064 -0.035 11.084 680 HG22 THR 92 2HG2 THR 92 -11.746 -1.116 9.869 681 HG23 THR 92 3HG2 THR 92 -11.613 0.611 9.537 682 H VAL 93 H VAL 93 -12.164 -0.927 6.948 683 HA VAL 93 HA VAL 93 -12.410 1.947 6.365 684 HB VAL 93 HB VAL 93 -13.310 -0.280 4.533 685 HG11 VAL 93 1HG1 VAL 93 -14.837 1.548 4.380 686 HG12 VAL 93 2HG1 VAL 93 -13.517 2.719 4.321 687 HG13 VAL 93 3HG1 VAL 93 -13.781 1.616 2.970 688 HG21 VAL 93 1HG2 VAL 93 -11.321 1.748 3.690 689 HG22 VAL 93 2HG2 VAL 93 -10.770 0.484 4.789 690 HG23 VAL 93 3HG2 VAL 93 -11.475 0.052 3.231 691 H THR 94 H THR 94 -14.066 2.753 7.455 692 HA THR 94 HA THR 94 -16.168 1.024 8.450 693 HB THR 94 HB THR 94 -15.880 4.013 8.799 694 HG1 THR 94 1HG THR 94 -14.178 2.376 9.639 695 HG21 THR 94 1HG2 THR 94 -17.716 3.940 10.075 696 HG22 THR 94 2HG2 THR 94 -17.162 2.494 10.919 697 HG23 THR 94 3HG2 THR 94 -18.014 2.347 9.383 698 H ALA 95 H ALA 95 -18.213 0.908 7.717 699 HA ALA 95 HA ALA 95 -18.839 1.956 5.147 700 HB1 ALA 95 1HB ALA 95 -20.378 0.355 5.169 701 HB2 ALA 95 2HB ALA 95 -19.823 -0.075 6.787 702 HB3 ALA 95 3HB ALA 95 -21.165 1.051 6.586 703 H LEU 96 H LEU 96 -19.249 4.046 4.829 704 HA LEU 96 HA LEU 96 -19.981 5.931 6.711 705 HB2 LEU 96 1HB LEU 96 -20.124 7.408 4.990 706 HB3 LEU 96 2HB LEU 96 -19.241 6.109 4.191 707 HG LEU 96 HG LEU 96 -21.559 5.322 3.381 708 HD11 LEU 96 1HD1 LEU 96 -22.482 8.089 3.402 709 HD12 LEU 96 2HD1 LEU 96 -22.438 7.347 5.001 710 HD13 LEU 96 3HD1 LEU 96 -23.366 6.592 3.705 711 HD21 LEU 96 1HD2 LEU 96 -20.660 6.065 1.494 712 HD22 LEU 96 2HD2 LEU 96 -19.674 7.229 2.381 713 HD23 LEU 96 3HD2 LEU 96 -21.298 7.670 1.851 714 HA PRO 97 HA PRO 97 -24.227 5.205 7.603 715 HB2 PRO 97 1HB PRO 97 -24.955 7.705 8.368 716 HB3 PRO 97 2HB PRO 97 -23.952 6.649 9.369 717 HG2 PRO 97 1HG PRO 97 -23.129 8.897 7.571 718 HG3 PRO 97 2HG PRO 97 -22.551 8.497 9.199 719 HD2 PRO 97 1HD PRO 97 -21.167 7.854 6.962 720 HD3 PRO 97 2HD PRO 97 -21.133 6.852 8.428 721 H SER 98 H SER 98 -24.809 4.768 5.371 722 HA SER 98 HA SER 98 -25.858 7.038 3.856 723 HB2 SER 98 1HB SER 98 -24.402 5.075 2.901 724 HB3 SER 98 2HB SER 98 -25.937 4.207 2.867 725 HG SER 98 HG SER 98 -25.896 6.782 1.804 726 H GLY 99 H GLY 99 -28.003 7.180 3.176 727 HA2 GLY 99 1HA GLY 99 -30.170 5.898 3.033 728 HA3 GLY 99 2HA GLY 99 -29.872 5.487 4.715 729 HA PRO 100 HA PRO 100 -31.791 9.151 6.164 730 HB2 PRO 100 1HB PRO 100 -30.024 10.267 7.895 731 HB3 PRO 100 2HB PRO 100 -30.902 8.775 8.249 732 HG2 PRO 100 1HG PRO 100 -28.099 9.134 7.262 733 HG3 PRO 100 2HG PRO 100 -28.715 8.027 8.503 734 HD2 PRO 100 1HD PRO 100 -28.178 7.226 5.973 735 HD3 PRO 100 2HD PRO 100 -29.476 6.506 6.948 736 H SER 101 H SER 101 -32.190 11.071 5.266 737 HA SER 101 HA SER 101 -30.092 12.385 3.735 738 HB2 SER 101 1HB SER 101 -33.076 12.550 3.825 739 HB3 SER 101 2HB SER 101 -32.174 13.931 3.202 740 HG SER 101 HG SER 101 -31.064 12.041 1.965 741 H SER 102 H SER 102 -32.321 13.112 6.392 742 HA SER 102 HA SER 102 -30.791 15.566 6.935 743 HB2 SER 102 1HB SER 102 -33.631 14.771 7.528 744 HB3 SER 102 2HB SER 102 -32.848 16.069 8.428 745 HG SER 102 HG SER 102 -33.942 16.899 6.627 746 H GLY 103 H GLY 103 -29.225 15.182 8.368 747 HA2 GLY 103 1HA GLY 103 -29.788 14.487 11.035 748 HA3 GLY 103 2HA GLY 103 -29.164 13.067 10.208 Start of MODEL 9 1 H1 GLY 1 H GLY 1 26.091 -2.217 -6.175 2 HA2 GLY 1 1HA GLY 1 26.067 0.660 -6.589 3 HA3 GLY 1 2HA GLY 1 26.467 -0.302 -8.004 4 H SER 2 H SER 2 24.885 -1.821 -8.792 5 HA SER 2 HA SER 2 22.137 -1.145 -7.970 6 HB2 SER 2 1HB SER 2 23.336 -1.371 -10.713 7 HB3 SER 2 2HB SER 2 21.621 -1.701 -10.471 8 HG SER 2 HG SER 2 22.358 0.562 -10.977 9 H SER 3 H SER 3 24.088 -3.571 -9.700 10 HA SER 3 HA SER 3 22.128 -5.632 -9.307 11 HB2 SER 3 1HB SER 3 24.860 -5.489 -10.520 12 HB3 SER 3 2HB SER 3 24.192 -7.068 -10.106 13 HG SER 3 HG SER 3 23.112 -5.131 -11.870 14 H GLY 4 H GLY 4 21.775 -6.132 -7.205 15 HA2 GLY 4 1HA GLY 4 24.112 -6.697 -5.506 16 HA3 GLY 4 2HA GLY 4 22.489 -6.357 -4.924 17 H SER 5 H SER 5 24.543 -8.678 -4.736 18 HA SER 5 HA SER 5 22.626 -10.823 -5.380 19 HB2 SER 5 1HB SER 5 24.651 -11.028 -6.721 20 HB3 SER 5 2HB SER 5 25.650 -10.945 -5.270 21 HG SER 5 HG SER 5 24.538 -13.086 -6.382 22 H SER 6 H SER 6 25.344 -10.113 -3.180 23 HA SER 6 HA SER 6 24.027 -11.740 -1.124 24 HB2 SER 6 1HB SER 6 26.866 -10.847 -1.551 25 HB3 SER 6 2HB SER 6 26.325 -11.378 0.041 26 HG SER 6 HG SER 6 26.501 -12.841 -2.358 27 H GLY 7 H GLY 7 22.816 -10.698 0.304 28 HA2 GLY 7 1HA GLY 7 23.020 -9.108 2.223 29 HA3 GLY 7 2HA GLY 7 23.589 -7.941 1.038 30 HA PRO 8 HA PRO 8 18.821 -8.697 0.391 31 HB2 PRO 8 1HB PRO 8 17.531 -9.562 2.617 32 HB3 PRO 8 2HB PRO 8 18.175 -10.661 1.392 33 HG2 PRO 8 1HG PRO 8 19.353 -9.860 4.025 34 HG3 PRO 8 2HG PRO 8 19.275 -11.465 3.276 35 HD2 PRO 8 1HD PRO 8 21.511 -9.940 3.222 36 HD3 PRO 8 2HD PRO 8 21.083 -11.054 1.907 37 H VAL 9 H VAL 9 16.861 -7.577 1.432 38 HA VAL 9 HA VAL 9 17.816 -5.301 3.045 39 HB VAL 9 HB VAL 9 15.646 -5.342 0.944 40 HG11 VAL 9 1HG1 VAL 9 15.752 -3.750 3.204 41 HG12 VAL 9 2HG1 VAL 9 16.449 -2.738 1.936 42 HG13 VAL 9 3HG1 VAL 9 14.835 -3.422 1.733 43 HG21 VAL 9 1HG2 VAL 9 17.459 -3.381 0.297 44 HG22 VAL 9 2HG2 VAL 9 18.484 -4.675 0.917 45 HG23 VAL 9 3HG2 VAL 9 17.382 -4.990 -0.423 46 H ARG 10 H ARG 10 16.718 -4.757 4.852 47 HA ARG 10 HA ARG 10 14.489 -6.502 5.619 48 HB2 ARG 10 1HB ARG 10 16.570 -4.985 7.129 49 HB3 ARG 10 2HB ARG 10 15.026 -5.294 7.913 50 HG2 ARG 10 1HG ARG 10 15.316 -7.673 7.645 51 HG3 ARG 10 2HG ARG 10 16.806 -7.416 6.734 52 HD2 ARG 10 1HD ARG 10 17.702 -6.234 8.778 53 HD3 ARG 10 2HD ARG 10 16.289 -6.839 9.642 54 HE ARG 10 HE ARG 10 17.542 -8.999 8.385 55 HH11 ARG 10 2HH1 ARG 10 18.141 -6.710 10.939 56 HH12 ARG 10 1HH1 ARG 10 19.157 -7.785 11.840 57 HH21 ARG 10 2HH2 ARG 10 18.879 -10.423 9.563 58 HH22 ARG 10 1HH2 ARG 10 19.577 -9.896 11.057 59 H PHE 11 H PHE 11 12.583 -5.655 6.529 60 HA PHE 11 HA PHE 11 11.812 -3.101 5.421 61 HB2 PHE 11 1HB PHE 11 10.408 -5.407 6.671 62 HB3 PHE 11 2HB PHE 11 9.618 -3.837 6.763 63 HD1 PHE 11 2HD PHE 11 9.055 -2.623 4.665 64 HD2 PHE 11 1HD PHE 11 10.468 -6.638 4.661 65 HE1 PHE 11 2HE PHE 11 8.208 -2.916 2.374 66 HE2 PHE 11 1HE PHE 11 9.624 -6.937 2.370 67 HZ PHE 11 HZ PHE 11 8.491 -5.075 1.224 68 H GLN 12 H GLN 12 13.343 -1.883 6.779 69 HA GLN 12 HA GLN 12 13.345 -1.711 9.521 70 HB2 GLN 12 1HB GLN 12 14.951 -0.478 8.239 71 HB3 GLN 12 2HB GLN 12 13.688 0.467 7.461 72 HG2 GLN 12 1HG GLN 12 14.751 1.836 9.093 73 HG3 GLN 12 2HG GLN 12 13.132 1.444 9.672 74 HE21 GLN 12 1HE2 GLN 12 16.425 1.427 10.372 75 HE22 GLN 12 2HE2 GLN 12 16.367 0.511 11.835 76 H GLU 13 H GLU 13 11.269 0.115 7.277 77 HA GLU 13 HA GLU 13 9.357 0.469 9.483 78 HB2 GLU 13 1HB GLU 13 10.532 2.537 7.681 79 HB3 GLU 13 2HB GLU 13 8.856 2.718 8.178 80 HG2 GLU 13 1HG GLU 13 11.037 2.266 10.178 81 HG3 GLU 13 2HG GLU 13 10.661 3.876 9.566 82 H ALA 14 H ALA 14 8.675 -1.556 8.200 83 HA ALA 14 HA ALA 14 7.560 -1.382 5.643 84 HB1 ALA 14 1HB ALA 14 6.041 -3.227 7.174 85 HB2 ALA 14 2HB ALA 14 7.322 -3.555 6.006 86 HB3 ALA 14 3HB ALA 14 7.720 -3.319 7.708 87 H LEU 15 H LEU 15 5.008 -2.068 5.562 88 HA LEU 15 HA LEU 15 3.623 0.347 5.989 89 HB2 LEU 15 1HB LEU 15 2.347 -2.348 5.596 90 HB3 LEU 15 2HB LEU 15 1.698 -0.768 5.161 91 HG LEU 15 HG LEU 15 4.185 -1.820 3.857 92 HD11 LEU 15 1HD1 LEU 15 2.956 -3.553 3.123 93 HD12 LEU 15 2HD1 LEU 15 2.268 -2.352 2.031 94 HD13 LEU 15 3HD1 LEU 15 1.424 -2.774 3.521 95 HD21 LEU 15 1HD2 LEU 15 2.804 0.577 3.722 96 HD22 LEU 15 2HD2 LEU 15 2.290 -0.297 2.279 97 HD23 LEU 15 3HD2 LEU 15 4.006 -0.010 2.572 98 H LYS 16 H LYS 16 1.232 -0.036 7.046 99 HA LYS 16 HA LYS 16 1.240 -1.471 9.515 100 HB2 LYS 16 1HB LYS 16 1.190 0.423 11.036 101 HB3 LYS 16 2HB LYS 16 2.697 0.424 10.129 102 HG2 LYS 16 1HG LYS 16 1.691 2.111 8.595 103 HG3 LYS 16 2HG LYS 16 0.299 2.186 9.678 104 HD2 LYS 16 1HD LYS 16 1.717 2.924 11.500 105 HD3 LYS 16 2HD LYS 16 3.151 2.756 10.485 106 HE2 LYS 16 1HE LYS 16 2.560 5.070 10.548 107 HE3 LYS 16 2HE LYS 16 2.168 4.453 8.943 108 HZ1 LYS 16 1HZ LYS 16 -0.110 4.079 10.416 109 HZ2 LYS 16 2HZ LYS 16 0.154 5.292 9.268 110 HZ3 LYS 16 3HZ LYS 16 0.448 5.600 10.905 111 H ASP 17 H ASP 17 -0.769 -1.189 10.718 112 HA ASP 17 HA ASP 17 -3.030 -1.230 9.125 113 HB2 ASP 17 1HB ASP 17 -4.322 -1.199 11.152 114 HB3 ASP 17 2HB ASP 17 -2.850 -2.116 11.462 115 H LEU 18 H LEU 18 -4.702 0.228 8.714 116 HA LEU 18 HA LEU 18 -4.204 3.039 9.391 117 HB2 LEU 18 1HB LEU 18 -5.049 2.137 6.648 118 HB3 LEU 18 2HB LEU 18 -4.631 3.770 7.161 119 HG LEU 18 HG LEU 18 -2.550 1.647 7.344 120 HD11 LEU 18 1HD1 LEU 18 -3.921 2.261 4.922 121 HD12 LEU 18 2HD1 LEU 18 -2.542 1.193 5.177 122 HD13 LEU 18 3HD1 LEU 18 -2.281 2.903 4.833 123 HD21 LEU 18 1HD2 LEU 18 -1.077 3.506 6.874 124 HD22 LEU 18 2HD2 LEU 18 -2.168 3.930 8.194 125 HD23 LEU 18 3HD2 LEU 18 -2.458 4.562 6.573 126 H GLU 19 H GLU 19 -6.000 4.228 9.827 127 HA GLU 19 HA GLU 19 -8.578 2.815 9.645 128 HB2 GLU 19 1HB GLU 19 -7.773 3.266 11.949 129 HB3 GLU 19 2HB GLU 19 -7.775 4.986 11.588 130 HG2 GLU 19 1HG GLU 19 -10.274 4.570 10.982 131 HG3 GLU 19 2HG GLU 19 -10.073 3.132 11.981 132 H VAL 20 H VAL 20 -9.864 3.577 8.113 133 HA VAL 20 HA VAL 20 -10.151 6.463 7.782 134 HB VAL 20 HB VAL 20 -8.617 6.174 6.055 135 HG11 VAL 20 1HG1 VAL 20 -8.931 4.226 4.390 136 HG12 VAL 20 2HG1 VAL 20 -8.212 3.887 5.966 137 HG13 VAL 20 3HG1 VAL 20 -9.907 3.499 5.666 138 HG21 VAL 20 1HG2 VAL 20 -11.333 5.725 4.820 139 HG22 VAL 20 2HG2 VAL 20 -10.618 7.281 5.243 140 HG23 VAL 20 3HG2 VAL 20 -9.906 6.304 3.960 141 H LEU 21 H LEU 21 -12.148 7.107 6.960 142 HA LEU 21 HA LEU 21 -14.248 5.124 7.232 143 HB2 LEU 21 1HB LEU 21 -14.196 7.575 8.124 144 HB3 LEU 21 2HB LEU 21 -14.727 7.979 6.493 145 HG LEU 21 HG LEU 21 -16.658 6.380 6.875 146 HD11 LEU 21 1HD1 LEU 21 -17.053 5.422 8.879 147 HD12 LEU 21 2HD1 LEU 21 -16.345 6.760 9.784 148 HD13 LEU 21 3HD1 LEU 21 -15.301 5.552 9.035 149 HD21 LEU 21 1HD2 LEU 21 -17.978 8.041 7.967 150 HD22 LEU 21 2HD2 LEU 21 -16.780 8.874 6.976 151 HD23 LEU 21 3HD2 LEU 21 -16.554 8.757 8.722 152 H GLU 22 H GLU 22 -15.712 4.544 5.644 153 HA GLU 22 HA GLU 22 -14.808 4.225 3.055 154 HB2 GLU 22 1HB GLU 22 -16.586 2.842 3.736 155 HB3 GLU 22 2HB GLU 22 -17.575 4.209 4.232 156 HG2 GLU 22 1HG GLU 22 -17.711 4.867 1.820 157 HG3 GLU 22 2HG GLU 22 -16.929 3.336 1.430 158 H GLY 23 H GLY 23 -15.216 5.248 1.087 159 HA2 GLY 23 1HA GLY 23 -16.048 6.950 -0.309 160 HA3 GLY 23 2HA GLY 23 -16.619 7.808 1.114 161 H GLY 24 H GLY 24 -13.360 6.545 0.663 162 HA2 GLY 24 1HA GLY 24 -12.327 9.197 0.046 163 HA3 GLY 24 2HA GLY 24 -11.873 8.543 1.612 164 H ALA 25 H ALA 25 -9.690 8.406 1.152 165 HA ALA 25 HA ALA 25 -8.962 6.190 -0.622 166 HB1 ALA 25 1HB ALA 25 -6.992 7.523 -1.419 167 HB2 ALA 25 2HB ALA 25 -8.559 8.077 -2.009 168 HB3 ALA 25 3HB ALA 25 -7.752 8.945 -0.703 169 H ALA 26 H ALA 26 -6.878 5.255 -0.151 170 HA ALA 26 HA ALA 26 -5.970 5.815 2.598 171 HB1 ALA 26 1HB ALA 26 -5.634 3.528 2.994 172 HB2 ALA 26 2HB ALA 26 -7.199 3.621 2.184 173 HB3 ALA 26 3HB ALA 26 -5.768 3.124 1.282 174 H THR 27 H THR 27 -3.849 6.162 2.919 175 HA THR 27 HA THR 27 -2.056 5.827 0.603 176 HB THR 27 HB THR 27 -1.602 7.795 2.839 177 HG1 THR 27 1HG THR 27 -3.282 7.963 0.610 178 HG21 THR 27 1HG2 THR 27 -0.193 7.004 0.441 179 HG22 THR 27 2HG2 THR 27 0.341 8.036 1.767 180 HG23 THR 27 3HG2 THR 27 -0.568 8.727 0.423 181 H LEU 28 H LEU 28 -0.723 4.167 0.876 182 HA LEU 28 HA LEU 28 0.083 3.387 3.577 183 HB2 LEU 28 1HB LEU 28 0.354 1.998 0.918 184 HB3 LEU 28 2HB LEU 28 0.980 1.358 2.436 185 HG LEU 28 HG LEU 28 -1.560 1.654 3.163 186 HD11 LEU 28 1HD1 LEU 28 -1.797 2.444 0.586 187 HD12 LEU 28 2HD1 LEU 28 -3.100 1.724 1.531 188 HD13 LEU 28 3HD1 LEU 28 -2.143 0.721 0.441 189 HD21 LEU 28 1HD2 LEU 28 -1.255 -0.529 3.398 190 HD22 LEU 28 2HD2 LEU 28 0.105 -0.474 2.276 191 HD23 LEU 28 3HD2 LEU 28 -1.528 -0.753 1.670 192 H ARG 29 H ARG 29 2.121 3.560 4.323 193 HA ARG 29 HA ARG 29 4.207 4.434 2.439 194 HB2 ARG 29 1HB ARG 29 3.313 5.665 4.992 195 HB3 ARG 29 2HB ARG 29 5.043 5.645 4.676 196 HG2 ARG 29 1HG ARG 29 3.123 6.662 2.620 197 HG3 ARG 29 2HG ARG 29 3.668 7.690 3.946 198 HD2 ARG 29 1HD ARG 29 5.705 6.203 2.367 199 HD3 ARG 29 2HD ARG 29 4.946 7.618 1.638 200 HE ARG 29 HE ARG 29 6.928 7.615 3.666 201 HH11 ARG 29 2HH1 ARG 29 4.068 9.295 2.607 202 HH12 ARG 29 1HH1 ARG 29 4.532 10.804 3.322 203 HH21 ARG 29 2HH2 ARG 29 7.550 9.596 4.610 204 HH22 ARG 29 1HH2 ARG 29 6.513 10.974 4.460 205 H CYS 30 H CYS 30 6.191 3.518 2.671 206 HA CYS 30 HA CYS 30 6.902 2.053 5.053 207 HB2 CYS 30 1HB CYS 30 7.216 -0.100 3.928 208 HB3 CYS 30 2HB CYS 30 5.530 0.401 3.862 209 HG CYS 30 HG CYS 30 5.330 0.709 1.260 210 H VAL 31 H VAL 31 9.004 2.322 5.388 211 HA VAL 31 HA VAL 31 10.703 3.036 3.092 212 HB VAL 31 HB VAL 31 11.159 3.651 6.015 213 HG11 VAL 31 1HG1 VAL 31 12.909 3.665 3.756 214 HG12 VAL 31 2HG1 VAL 31 12.670 5.321 4.317 215 HG13 VAL 31 3HG1 VAL 31 13.256 4.087 5.433 216 HG21 VAL 31 1HG2 VAL 31 9.239 4.829 4.763 217 HG22 VAL 31 2HG2 VAL 31 10.401 5.821 5.643 218 HG23 VAL 31 3HG2 VAL 31 10.522 5.668 3.891 219 H LEU 32 H LEU 32 12.358 1.758 2.553 220 HA LEU 32 HA LEU 32 12.857 -0.614 4.178 221 HB2 LEU 32 1HB LEU 32 14.068 0.008 1.501 222 HB3 LEU 32 2HB LEU 32 13.873 -1.564 2.274 223 HG LEU 32 HG LEU 32 12.314 -1.470 0.494 224 HD11 LEU 32 1HD1 LEU 32 11.470 -2.423 2.591 225 HD12 LEU 32 2HD1 LEU 32 10.185 -1.684 1.636 226 HD13 LEU 32 3HD1 LEU 32 10.832 -0.843 3.044 227 HD21 LEU 32 1HD2 LEU 32 11.106 0.334 -0.157 228 HD22 LEU 32 2HD2 LEU 32 12.410 1.192 0.664 229 HD23 LEU 32 3HD2 LEU 32 10.876 0.917 1.491 230 H SER 33 H SER 33 15.221 -1.375 4.173 231 HA SER 33 HA SER 33 16.746 0.402 5.694 232 HB2 SER 33 1HB SER 33 16.939 -2.150 5.548 233 HB3 SER 33 2HB SER 33 17.934 -1.880 4.117 234 HG SER 33 HG SER 33 19.011 -2.051 6.271 235 H SER 34 H SER 34 16.579 -0.097 2.255 236 HA SER 34 HA SER 34 18.151 2.280 1.799 237 HB2 SER 34 1HB SER 34 19.695 0.138 1.945 238 HB3 SER 34 2HB SER 34 19.118 -0.120 0.299 239 HG SER 34 HG SER 34 20.997 1.568 1.158 240 H VAL 35 H VAL 35 17.837 3.173 -0.250 241 HA VAL 35 HA VAL 35 15.367 2.584 -1.485 242 HB VAL 35 HB VAL 35 16.260 4.831 -1.558 243 HG11 VAL 35 1HG1 VAL 35 18.361 4.023 -3.523 244 HG12 VAL 35 2HG1 VAL 35 18.273 5.459 -2.501 245 HG13 VAL 35 3HG1 VAL 35 18.678 3.895 -1.794 246 HG21 VAL 35 1HG2 VAL 35 16.378 3.981 -4.417 247 HG22 VAL 35 2HG2 VAL 35 14.886 3.751 -3.504 248 HG23 VAL 35 3HG2 VAL 35 15.567 5.368 -3.689 249 H ALA 36 H ALA 36 15.027 0.749 -2.567 250 HA ALA 36 HA ALA 36 16.983 -0.013 -4.633 251 HB1 ALA 36 1HB ALA 36 16.279 -1.512 -2.352 252 HB2 ALA 36 2HB ALA 36 15.546 -2.314 -3.742 253 HB3 ALA 36 3HB ALA 36 17.283 -2.009 -3.714 254 H ALA 37 H ALA 37 16.010 0.523 -6.488 255 HA ALA 37 HA ALA 37 13.248 -0.415 -6.908 256 HB1 ALA 37 1HB ALA 37 14.302 2.254 -7.121 257 HB2 ALA 37 2HB ALA 37 13.656 1.713 -8.671 258 HB3 ALA 37 3HB ALA 37 12.633 1.694 -7.235 259 HA PRO 38 HA PRO 38 12.062 0.471 -9.036 260 HB2 PRO 38 1HB PRO 38 10.609 -1.303 -10.489 261 HB3 PRO 38 2HB PRO 38 11.536 0.010 -11.225 262 HG2 PRO 38 1HG PRO 38 12.255 -2.881 -10.925 263 HG3 PRO 38 2HG PRO 38 12.471 -1.813 -12.325 264 HD2 PRO 38 1HD PRO 38 14.493 -2.420 -10.628 265 HD3 PRO 38 2HD PRO 38 14.378 -0.853 -11.456 266 H VAL 39 H VAL 39 9.929 -0.342 -8.222 267 HA VAL 39 HA VAL 39 10.361 -2.551 -6.322 268 HB VAL 39 HB VAL 39 8.207 -0.487 -6.004 269 HG11 VAL 39 1HG1 VAL 39 9.417 -2.630 -4.402 270 HG12 VAL 39 2HG1 VAL 39 9.121 -1.123 -3.533 271 HG13 VAL 39 3HG1 VAL 39 7.792 -1.949 -4.347 272 HG21 VAL 39 1HG2 VAL 39 11.120 -0.211 -5.334 273 HG22 VAL 39 2HG2 VAL 39 10.075 0.921 -6.191 274 HG23 VAL 39 3HG2 VAL 39 9.875 0.676 -4.456 275 H LYS 40 H LYS 40 8.587 -3.961 -5.862 276 HA LYS 40 HA LYS 40 6.682 -4.178 -8.100 277 HB2 LYS 40 1HB LYS 40 8.382 -6.009 -7.914 278 HB3 LYS 40 2HB LYS 40 7.701 -6.419 -6.345 279 HG2 LYS 40 1HG LYS 40 5.903 -6.314 -8.717 280 HG3 LYS 40 2HG LYS 40 6.972 -7.702 -8.502 281 HD2 LYS 40 1HD LYS 40 5.983 -7.606 -6.043 282 HD3 LYS 40 2HD LYS 40 4.642 -6.820 -6.880 283 HE2 LYS 40 1HE LYS 40 4.172 -9.157 -6.790 284 HE3 LYS 40 2HE LYS 40 4.596 -8.760 -8.455 285 HZ1 LYS 40 1HZ LYS 40 6.107 -10.307 -6.471 286 HZ2 LYS 40 2HZ LYS 40 6.961 -9.451 -7.654 287 HZ3 LYS 40 3HZ LYS 40 5.838 -10.631 -8.110 288 H TRP 41 H TRP 41 4.685 -3.642 -7.543 289 HA TRP 41 HA TRP 41 3.845 -3.933 -4.751 290 HB2 TRP 41 1HB TRP 41 3.024 -2.187 -7.017 291 HB3 TRP 41 2HB TRP 41 1.784 -2.624 -5.844 292 HD1 TRP 41 HD TRP 41 4.745 -0.357 -6.327 293 HE1 TRP 41 1HE TRP 41 5.067 1.100 -4.230 294 HE3 TRP 41 3HE TRP 41 1.494 -2.736 -3.179 295 HZ2 TRP 41 2HZ TRP 41 4.075 1.224 -1.590 296 HZ3 TRP 41 3HZ TRP 41 1.239 -1.886 -0.884 297 HH2 TRP 41 HH TRP 41 2.504 0.053 -0.108 298 H CYS 42 H CYS 42 1.917 -4.981 -4.181 299 HA CYS 42 HA CYS 42 0.348 -6.358 -6.160 300 HB2 CYS 42 1HB CYS 42 0.797 -8.621 -5.070 301 HB3 CYS 42 2HB CYS 42 2.063 -7.985 -6.114 302 HG CYS 42 HG CYS 42 3.709 -8.818 -4.267 303 H TYR 43 H TYR 43 -1.682 -6.618 -5.450 304 HA TYR 43 HA TYR 43 -2.186 -6.692 -2.564 305 HB2 TYR 43 1HB TYR 43 -2.607 -4.431 -2.876 306 HB3 TYR 43 2HB TYR 43 -3.201 -4.661 -4.517 307 HD1 TYR 43 2HD TYR 43 -4.213 -6.246 -1.290 308 HD2 TYR 43 1HD TYR 43 -5.360 -3.827 -4.597 309 HE1 TYR 43 2HE TYR 43 -6.525 -6.209 -0.453 310 HE2 TYR 43 1HE TYR 43 -7.675 -3.782 -3.768 311 HH TYR 43 HH TYR 43 -8.534 -4.735 -0.663 312 H GLY 44 H GLY 44 -3.075 -8.656 -2.362 313 HA2 GLY 44 1HA GLY 44 -4.864 -10.145 -2.424 314 HA3 GLY 44 2HA GLY 44 -5.607 -9.160 -3.675 315 H ASN 45 H ASN 45 -5.548 -9.875 -5.713 316 HA ASN 45 HA ASN 45 -3.758 -12.140 -6.304 317 HB2 ASN 45 1HB ASN 45 -6.475 -11.528 -7.492 318 HB3 ASN 45 2HB ASN 45 -5.452 -12.896 -7.924 319 HD21 ASN 45 1HD2 ASN 45 -6.165 -14.701 -7.079 320 HD22 ASN 45 2HD2 ASN 45 -6.871 -14.891 -5.514 321 H ASN 46 H ASN 46 -5.503 -9.467 -7.894 322 HA ASN 46 HA ASN 46 -3.857 -9.511 -10.216 323 HB2 ASN 46 1HB ASN 46 -5.658 -7.307 -9.185 324 HB3 ASN 46 2HB ASN 46 -4.997 -7.422 -10.814 325 HD21 ASN 46 1HD2 ASN 46 -5.825 -8.936 -12.240 326 HD22 ASN 46 2HD2 ASN 46 -7.325 -9.745 -11.957 327 H VAL 47 H VAL 47 -2.432 -7.793 -10.923 328 HA VAL 47 HA VAL 47 -0.739 -6.866 -8.738 329 HB VAL 47 HB VAL 47 -0.255 -6.675 -11.714 330 HG11 VAL 47 1HG1 VAL 47 2.179 -6.628 -10.711 331 HG12 VAL 47 2HG1 VAL 47 1.217 -5.154 -10.839 332 HG13 VAL 47 3HG1 VAL 47 1.340 -5.997 -9.294 333 HG21 VAL 47 1HG2 VAL 47 -0.046 -8.909 -9.862 334 HG22 VAL 47 2HG2 VAL 47 0.013 -8.892 -11.624 335 HG23 VAL 47 3HG2 VAL 47 1.472 -8.564 -10.690 336 H LEU 48 H LEU 48 -0.303 -4.748 -8.282 337 HA LEU 48 HA LEU 48 -2.217 -2.808 -9.273 338 HB2 LEU 48 1HB LEU 48 -0.015 -2.456 -7.246 339 HB3 LEU 48 2HB LEU 48 -1.354 -1.350 -7.547 340 HG LEU 48 HG LEU 48 -1.828 -4.159 -6.596 341 HD11 LEU 48 1HD1 LEU 48 -1.852 -1.977 -4.615 342 HD12 LEU 48 2HD1 LEU 48 -0.264 -2.518 -5.156 343 HD13 LEU 48 3HD1 LEU 48 -1.391 -3.670 -4.439 344 HD21 LEU 48 1HD2 LEU 48 -3.668 -2.713 -7.544 345 HD22 LEU 48 2HD2 LEU 48 -3.436 -1.654 -6.153 346 HD23 LEU 48 3HD2 LEU 48 -3.935 -3.329 -5.913 347 H ARG 49 H ARG 49 -1.830 -1.463 -10.894 348 HA ARG 49 HA ARG 49 0.973 -0.895 -11.608 349 HB2 ARG 49 1HB ARG 49 -1.457 -1.191 -13.374 350 HB3 ARG 49 2HB ARG 49 0.064 -0.511 -13.936 351 HG2 ARG 49 1HG ARG 49 1.204 -2.567 -13.601 352 HG3 ARG 49 2HG ARG 49 -0.172 -3.258 -12.737 353 HD2 ARG 49 1HD ARG 49 -0.194 -2.417 -15.634 354 HD3 ARG 49 2HD ARG 49 0.030 -4.072 -15.066 355 HE ARG 49 HE ARG 49 -2.293 -3.404 -13.915 356 HH11 ARG 49 2HH1 ARG 49 -1.141 -3.055 -17.181 357 HH12 ARG 49 1HH1 ARG 49 -2.716 -3.199 -17.890 358 HH21 ARG 49 2HH2 ARG 49 -4.371 -3.595 -14.836 359 HH22 ARG 49 1HH2 ARG 49 -4.552 -3.504 -16.555 360 HA PRO 50 HA PRO 50 0.186 3.379 -10.961 361 HB2 PRO 50 1HB PRO 50 1.964 4.463 -12.703 362 HB3 PRO 50 2HB PRO 50 2.451 3.690 -11.190 363 HG2 PRO 50 1HG PRO 50 2.455 2.581 -13.971 364 HG3 PRO 50 2HG PRO 50 3.688 2.432 -12.705 365 HD2 PRO 50 1HD PRO 50 1.918 0.458 -13.255 366 HD3 PRO 50 2HD PRO 50 2.551 0.744 -11.622 367 H GLY 51 H GLY 51 -1.081 5.002 -11.750 368 HA2 GLY 51 1HA GLY 51 -1.471 5.777 -14.367 369 HA3 GLY 51 2HA GLY 51 -2.626 4.481 -14.094 370 H ASP 52 H ASP 52 -4.489 5.647 -14.156 371 HA ASP 52 HA ASP 52 -4.763 8.079 -12.612 372 HB2 ASP 52 1HB ASP 52 -6.511 6.561 -14.514 373 HB3 ASP 52 2HB ASP 52 -7.233 7.757 -13.441 374 H LYS 53 H LYS 53 -6.197 4.826 -12.591 375 HA LYS 53 HA LYS 53 -7.786 5.216 -10.293 376 HB2 LYS 53 1HB LYS 53 -8.131 3.387 -11.926 377 HB3 LYS 53 2HB LYS 53 -6.643 2.633 -11.372 378 HG2 LYS 53 1HG LYS 53 -8.440 1.498 -10.328 379 HG3 LYS 53 2HG LYS 53 -7.667 2.492 -9.091 380 HD2 LYS 53 1HD LYS 53 -9.422 4.238 -9.558 381 HD3 LYS 53 2HD LYS 53 -10.245 3.035 -10.554 382 HE2 LYS 53 1HE LYS 53 -10.089 1.537 -8.453 383 HE3 LYS 53 2HE LYS 53 -9.783 3.045 -7.593 384 HZ1 LYS 53 1HZ LYS 53 -12.191 2.337 -9.172 385 HZ2 LYS 53 2HZ LYS 53 -11.883 3.895 -8.590 386 HZ3 LYS 53 3HZ LYS 53 -12.100 2.614 -7.506 387 H TYR 54 H TYR 54 -4.549 3.826 -10.724 388 HA TYR 54 HA TYR 54 -4.160 4.062 -7.812 389 HB2 TYR 54 1HB TYR 54 -2.937 2.051 -9.712 390 HB3 TYR 54 2HB TYR 54 -2.528 2.205 -8.007 391 HD1 TYR 54 2HD TYR 54 -5.112 1.156 -10.397 392 HD2 TYR 54 1HD TYR 54 -4.017 1.391 -6.292 393 HE1 TYR 54 2HE TYR 54 -6.942 -0.386 -9.826 394 HE2 TYR 54 1HE TYR 54 -5.843 -0.151 -5.711 395 HH TYR 54 HH TYR 54 -7.217 -2.130 -7.497 396 H SER 55 H SER 55 -2.123 4.763 -7.075 397 HA SER 55 HA SER 55 -0.431 6.038 -9.123 398 HB2 SER 55 1HB SER 55 -1.593 7.840 -8.098 399 HB3 SER 55 2HB SER 55 -1.387 7.156 -6.486 400 HG SER 55 HG SER 55 0.462 8.129 -6.361 401 H LEU 56 H LEU 56 1.714 5.715 -8.953 402 HA LEU 56 HA LEU 56 2.758 4.525 -6.477 403 HB2 LEU 56 1HB LEU 56 3.439 3.602 -9.265 404 HB3 LEU 56 2HB LEU 56 4.103 2.964 -7.762 405 HG LEU 56 HG LEU 56 1.217 2.749 -8.620 406 HD11 LEU 56 1HD1 LEU 56 3.292 1.387 -9.706 407 HD12 LEU 56 2HD1 LEU 56 1.650 0.760 -9.562 408 HD13 LEU 56 3HD1 LEU 56 2.865 0.335 -8.356 409 HD21 LEU 56 1HD2 LEU 56 0.817 2.256 -6.493 410 HD22 LEU 56 2HD2 LEU 56 2.529 2.397 -6.091 411 HD23 LEU 56 3HD2 LEU 56 1.880 0.858 -6.658 412 H ARG 57 H ARG 57 4.129 5.999 -5.717 413 HA ARG 57 HA ARG 57 6.098 7.148 -7.580 414 HB2 ARG 57 1HB ARG 57 4.477 8.876 -7.015 415 HB3 ARG 57 2HB ARG 57 4.705 8.561 -5.300 416 HG2 ARG 57 1HG ARG 57 6.038 10.384 -5.530 417 HG3 ARG 57 2HG ARG 57 7.216 9.120 -5.891 418 HD2 ARG 57 1HD ARG 57 6.311 9.484 -8.349 419 HD3 ARG 57 2HD ARG 57 5.896 11.072 -7.706 420 HE ARG 57 HE ARG 57 8.556 10.471 -7.032 421 HH11 ARG 57 2HH1 ARG 57 6.595 11.249 -9.802 422 HH12 ARG 57 1HH1 ARG 57 7.896 11.984 -10.680 423 HH21 ARG 57 2HH2 ARG 57 10.276 11.436 -8.178 424 HH22 ARG 57 1HH2 ARG 57 9.989 12.089 -9.755 425 H GLN 58 H GLN 58 8.181 7.083 -6.937 426 HA GLN 58 HA GLN 58 8.717 6.063 -4.225 427 HB2 GLN 58 1HB GLN 58 9.227 4.513 -6.157 428 HB3 GLN 58 2HB GLN 58 10.469 5.657 -6.648 429 HG2 GLN 58 1HG GLN 58 11.248 5.340 -4.146 430 HG3 GLN 58 2HG GLN 58 10.398 3.807 -4.332 431 HE21 GLN 58 1HE2 GLN 58 12.325 2.652 -4.155 432 HE22 GLN 58 2HE2 GLN 58 13.475 2.590 -5.443 433 H GLU 59 H GLU 59 10.428 6.931 -3.060 434 HA GLU 59 HA GLU 59 12.021 9.059 -4.224 435 HB2 GLU 59 1HB GLU 59 10.177 9.572 -1.883 436 HB3 GLU 59 2HB GLU 59 11.394 10.690 -2.482 437 HG2 GLU 59 1HG GLU 59 9.157 9.674 -4.203 438 HG3 GLU 59 2HG GLU 59 9.004 11.109 -3.191 439 H GLY 60 H GLY 60 13.965 8.245 -3.716 440 HA2 GLY 60 1HA GLY 60 15.590 7.132 -2.472 441 HA3 GLY 60 2HA GLY 60 15.271 8.490 -1.404 442 H ALA 61 H ALA 61 14.212 5.190 -2.152 443 HA ALA 61 HA ALA 61 13.440 3.503 -0.834 444 HB1 ALA 61 1HB ALA 61 14.576 3.123 1.101 445 HB2 ALA 61 2HB ALA 61 15.609 4.378 0.416 446 HB3 ALA 61 3HB ALA 61 14.421 4.792 1.652 447 H MET 62 H MET 62 11.608 5.519 -1.423 448 HA MET 62 HA MET 62 9.927 5.450 0.989 449 HB2 MET 62 1HB MET 62 10.886 7.729 0.601 450 HB3 MET 62 2HB MET 62 10.053 7.766 -0.947 451 HG2 MET 62 1HG MET 62 8.462 7.211 1.497 452 HG3 MET 62 2HG MET 62 9.019 8.857 1.209 453 HE1 MET 62 1HE MET 62 6.606 9.675 1.253 454 HE2 MET 62 2HE MET 62 7.460 10.523 -0.035 455 HE3 MET 62 3HE MET 62 5.818 9.938 -0.303 456 H LEU 63 H LEU 63 7.950 4.641 0.673 457 HA LEU 63 HA LEU 63 7.057 4.247 -2.105 458 HB2 LEU 63 1HB LEU 63 6.575 2.645 0.393 459 HB3 LEU 63 2HB LEU 63 5.625 2.423 -1.075 460 HG LEU 63 HG LEU 63 7.239 0.719 -1.105 461 HD11 LEU 63 1HD1 LEU 63 8.534 2.848 -2.782 462 HD12 LEU 63 2HD1 LEU 63 6.982 2.126 -3.203 463 HD13 LEU 63 3HD1 LEU 63 8.423 1.115 -3.095 464 HD21 LEU 63 1HD2 LEU 63 8.948 0.997 0.314 465 HD22 LEU 63 2HD2 LEU 63 8.928 2.753 0.148 466 HD23 LEU 63 3HD2 LEU 63 9.762 1.762 -1.051 467 H GLU 64 H GLU 64 4.881 4.599 -2.635 468 HA GLU 64 HA GLU 64 3.058 5.655 -0.661 469 HB2 GLU 64 1HB GLU 64 4.471 7.617 -1.275 470 HB3 GLU 64 2HB GLU 64 3.942 7.430 -2.941 471 HG2 GLU 64 1HG GLU 64 1.889 7.705 -0.806 472 HG3 GLU 64 2HG GLU 64 2.779 9.134 -1.329 473 H LEU 65 H LEU 65 1.282 4.551 -1.140 474 HA LEU 65 HA LEU 65 0.478 4.356 -3.968 475 HB2 LEU 65 1HB LEU 65 1.053 2.170 -3.397 476 HB3 LEU 65 2HB LEU 65 0.382 2.320 -1.774 477 HG LEU 65 HG LEU 65 -1.895 2.347 -2.795 478 HD11 LEU 65 1HD1 LEU 65 -0.576 1.370 -5.307 479 HD12 LEU 65 2HD1 LEU 65 -0.978 3.070 -5.065 480 HD13 LEU 65 3HD1 LEU 65 -2.253 1.852 -5.053 481 HD21 LEU 65 1HD2 LEU 65 -1.518 0.275 -1.957 482 HD22 LEU 65 2HD2 LEU 65 -0.013 0.063 -2.852 483 HD23 LEU 65 3HD2 LEU 65 -1.563 -0.157 -3.667 484 H VAL 66 H VAL 66 -1.365 5.356 -4.406 485 HA VAL 66 HA VAL 66 -3.224 5.918 -2.196 486 HB VAL 66 HB VAL 66 -2.771 7.353 -4.809 487 HG11 VAL 66 1HG1 VAL 66 -5.123 7.360 -4.540 488 HG12 VAL 66 2HG1 VAL 66 -4.996 7.664 -2.806 489 HG13 VAL 66 3HG1 VAL 66 -4.555 8.925 -3.959 490 HG21 VAL 66 1HG2 VAL 66 -1.689 8.926 -3.623 491 HG22 VAL 66 2HG2 VAL 66 -2.807 8.816 -2.263 492 HG23 VAL 66 3HG2 VAL 66 -1.498 7.645 -2.426 493 H VAL 67 H VAL 67 -5.071 4.834 -2.152 494 HA VAL 67 HA VAL 67 -6.068 3.647 -4.660 495 HB VAL 67 HB VAL 67 -6.633 2.685 -1.854 496 HG11 VAL 67 1HG1 VAL 67 -7.634 0.783 -2.870 497 HG12 VAL 67 2HG1 VAL 67 -8.324 2.207 -3.651 498 HG13 VAL 67 3HG1 VAL 67 -7.078 1.267 -4.472 499 HG21 VAL 67 1HG2 VAL 67 -4.955 1.113 -2.029 500 HG22 VAL 67 2HG2 VAL 67 -4.902 1.209 -3.789 501 HG23 VAL 67 3HG2 VAL 67 -4.212 2.506 -2.814 502 H ARG 68 H ARG 68 -7.583 5.005 -5.419 503 HA ARG 68 HA ARG 68 -9.322 6.498 -3.687 504 HB2 ARG 68 1HB ARG 68 -9.245 6.140 -6.685 505 HB3 ARG 68 2HB ARG 68 -10.412 7.166 -5.862 506 HG2 ARG 68 1HG ARG 68 -8.618 8.547 -4.987 507 HG3 ARG 68 2HG ARG 68 -7.421 7.495 -5.745 508 HD2 ARG 68 1HD ARG 68 -7.882 8.261 -7.855 509 HD3 ARG 68 2HD ARG 68 -9.547 8.682 -7.454 510 HE ARG 68 HE ARG 68 -7.293 10.396 -7.337 511 HH11 ARG 68 2HH1 ARG 68 -10.279 9.655 -5.708 512 HH12 ARG 68 1HH1 ARG 68 -10.478 11.254 -5.070 513 HH21 ARG 68 2HH2 ARG 68 -7.544 12.504 -6.503 514 HH22 ARG 68 1HH2 ARG 68 -8.923 12.873 -5.523 515 H ASN 69 H ASN 69 -11.739 6.453 -4.109 516 HA ASN 69 HA ASN 69 -13.720 5.356 -3.895 517 HB2 ASN 69 1HB ASN 69 -12.310 3.589 -5.890 518 HB3 ASN 69 2HB ASN 69 -13.956 3.259 -5.356 519 HD21 ASN 69 1HD2 ASN 69 -15.608 4.688 -5.914 520 HD22 ASN 69 2HD2 ASN 69 -15.428 5.831 -7.196 521 H LEU 70 H LEU 70 -12.297 5.011 -1.715 522 HA LEU 70 HA LEU 70 -11.564 2.395 -1.007 523 HB2 LEU 70 1HB LEU 70 -12.196 4.897 0.453 524 HB3 LEU 70 2HB LEU 70 -12.214 3.395 1.375 525 HG LEU 70 HG LEU 70 -9.864 4.453 -0.195 526 HD11 LEU 70 1HD1 LEU 70 -10.616 4.597 2.700 527 HD12 LEU 70 2HD1 LEU 70 -10.040 5.878 1.634 528 HD13 LEU 70 3HD1 LEU 70 -8.928 4.629 2.192 529 HD21 LEU 70 1HD2 LEU 70 -10.330 1.975 1.419 530 HD22 LEU 70 2HD2 LEU 70 -8.714 2.666 1.273 531 HD23 LEU 70 3HD2 LEU 70 -9.587 2.149 -0.171 532 H ARG 71 H ARG 71 -12.734 0.646 -0.585 533 HA ARG 71 HA ARG 71 -15.577 0.994 0.107 534 HB2 ARG 71 1HB ARG 71 -14.300 -1.095 -1.661 535 HB3 ARG 71 2HB ARG 71 -15.952 -1.199 -1.067 536 HG2 ARG 71 1HG ARG 71 -14.971 1.154 -2.649 537 HG3 ARG 71 2HG ARG 71 -15.617 -0.299 -3.414 538 HD2 ARG 71 1HD ARG 71 -17.685 -0.004 -2.043 539 HD3 ARG 71 2HD ARG 71 -17.036 1.542 -1.496 540 HE ARG 71 HE ARG 71 -17.703 2.447 -3.476 541 HH11 ARG 71 2HH1 ARG 71 -17.404 -0.997 -3.883 542 HH12 ARG 71 1HH1 ARG 71 -18.017 -0.991 -5.503 543 HH21 ARG 71 2HH2 ARG 71 -18.512 2.469 -5.609 544 HH22 ARG 71 1HH2 ARG 71 -18.646 0.982 -6.484 545 HA PRO 72 HA PRO 72 -14.891 -1.461 3.680 546 HB2 PRO 72 1HB PRO 72 -17.281 -2.726 3.916 547 HB3 PRO 72 2HB PRO 72 -17.066 -1.006 4.263 548 HG2 PRO 72 1HG PRO 72 -18.140 -2.321 1.797 549 HG3 PRO 72 2HG PRO 72 -18.740 -0.888 2.653 550 HD2 PRO 72 1HD PRO 72 -17.240 -0.720 0.405 551 HD3 PRO 72 2HD PRO 72 -17.168 0.498 1.694 552 H GLN 73 H GLN 73 -15.089 -2.784 0.647 553 HA GLN 73 HA GLN 73 -14.907 -5.554 1.595 554 HB2 GLN 73 1HB GLN 73 -15.221 -6.208 -0.728 555 HB3 GLN 73 2HB GLN 73 -16.496 -5.104 -0.230 556 HG2 GLN 73 1HG GLN 73 -15.063 -3.266 -1.276 557 HG3 GLN 73 2HG GLN 73 -14.168 -4.579 -2.038 558 HE21 GLN 73 1HE2 GLN 73 -14.925 -3.492 -4.003 559 HE22 GLN 73 2HE2 GLN 73 -16.480 -3.909 -4.629 560 H ASP 74 H ASP 74 -13.050 -2.970 0.252 561 HA ASP 74 HA ASP 74 -10.908 -4.439 -0.836 562 HB2 ASP 74 1HB ASP 74 -11.319 -1.631 0.067 563 HB3 ASP 74 2HB ASP 74 -9.661 -2.184 -0.148 564 H SER 75 H SER 75 -11.606 -3.331 2.425 565 HA SER 75 HA SER 75 -9.237 -3.558 3.726 566 HB2 SER 75 1HB SER 75 -11.861 -4.680 4.738 567 HB3 SER 75 2HB SER 75 -10.482 -4.205 5.729 568 HG SER 75 HG SER 75 -12.182 -2.601 5.547 569 H GLY 76 H GLY 76 -7.772 -5.059 3.057 570 HA2 GLY 76 1HA GLY 76 -8.366 -7.835 3.792 571 HA3 GLY 76 2HA GLY 76 -7.815 -7.514 2.155 572 H ARG 77 H ARG 77 -5.865 -8.521 2.206 573 HA ARG 77 HA ARG 77 -3.927 -7.540 4.199 574 HB2 ARG 77 1HB ARG 77 -4.500 -9.964 4.393 575 HB3 ARG 77 2HB ARG 77 -3.870 -10.200 2.768 576 HG2 ARG 77 1HG ARG 77 -1.672 -9.342 3.574 577 HG3 ARG 77 2HG ARG 77 -2.339 -9.339 5.208 578 HD2 ARG 77 1HD ARG 77 -2.541 -11.826 3.585 579 HD3 ARG 77 2HD ARG 77 -0.979 -11.399 4.281 580 HE ARG 77 HE ARG 77 -3.196 -12.483 5.660 581 HH11 ARG 77 2HH1 ARG 77 -0.624 -10.163 6.009 582 HH12 ARG 77 1HH1 ARG 77 -0.557 -10.302 7.735 583 HH21 ARG 77 2HH2 ARG 77 -3.118 -12.675 7.932 584 HH22 ARG 77 1HH2 ARG 77 -1.975 -11.732 8.827 585 H TYR 78 H TYR 78 -2.903 -5.932 3.134 586 HA TYR 78 HA TYR 78 -2.078 -6.315 0.366 587 HB2 TYR 78 1HB TYR 78 -1.694 -3.909 2.157 588 HB3 TYR 78 2HB TYR 78 -1.449 -3.967 0.415 589 HD1 TYR 78 2HD TYR 78 -3.990 -4.058 3.089 590 HD2 TYR 78 1HD TYR 78 -3.284 -3.770 -1.097 591 HE1 TYR 78 2HE TYR 78 -6.337 -3.408 2.744 592 HE2 TYR 78 1HE TYR 78 -5.629 -3.118 -1.453 593 HH TYR 78 HH TYR 78 -7.543 -1.926 0.630 594 H SER 79 H SER 79 -0.064 -6.782 -0.265 595 HA SER 79 HA SER 79 2.135 -6.500 1.656 596 HB2 SER 79 1HB SER 79 2.983 -8.724 1.122 597 HB3 SER 79 2HB SER 79 1.337 -8.846 1.743 598 HG SER 79 HG SER 79 2.333 -9.418 -0.768 599 H CYS 80 H CYS 80 4.190 -6.231 0.733 600 HA CYS 80 HA CYS 80 4.225 -5.805 -2.179 601 HB2 CYS 80 1HB CYS 80 4.134 -3.697 -0.636 602 HB3 CYS 80 2HB CYS 80 5.829 -4.063 -0.339 603 HG CYS 80 HG CYS 80 6.691 -2.825 -2.404 604 H SER 81 H SER 81 5.861 -6.749 -3.224 605 HA SER 81 HA SER 81 7.775 -8.294 -1.704 606 HB2 SER 81 1HB SER 81 7.414 -8.015 -4.698 607 HB3 SER 81 2HB SER 81 8.459 -9.187 -3.896 608 HG SER 81 HG SER 81 5.682 -9.021 -3.381 609 H PHE 82 H PHE 82 9.730 -7.620 -1.153 610 HA PHE 82 HA PHE 82 11.181 -5.773 -2.883 611 HB2 PHE 82 1HB PHE 82 9.830 -4.606 -0.937 612 HB3 PHE 82 2HB PHE 82 11.182 -5.162 0.043 613 HD1 PHE 82 2HD PHE 82 13.437 -4.305 -0.351 614 HD2 PHE 82 1HD PHE 82 10.086 -2.844 -2.531 615 HE1 PHE 82 2HE PHE 82 14.756 -2.354 -1.065 616 HE2 PHE 82 1HE PHE 82 11.400 -0.891 -3.249 617 HZ PHE 82 HZ PHE 82 13.738 -0.644 -2.515 618 H GLY 83 H GLY 83 13.164 -6.533 -3.179 619 HA2 GLY 83 1HA GLY 83 15.141 -7.650 -2.841 620 HA3 GLY 83 2HA GLY 83 14.913 -7.318 -1.131 621 H ASP 84 H ASP 84 14.377 -8.950 0.208 622 HA ASP 84 HA ASP 84 13.684 -11.536 -1.023 623 HB2 ASP 84 1HB ASP 84 15.086 -12.691 0.513 624 HB3 ASP 84 2HB ASP 84 16.053 -11.369 -0.135 625 H GLN 85 H GLN 85 13.306 -9.354 1.695 626 HA GLN 85 HA GLN 85 11.414 -11.086 3.034 627 HB2 GLN 85 1HB GLN 85 12.622 -8.410 3.603 628 HB3 GLN 85 2HB GLN 85 11.145 -8.876 4.437 629 HG2 GLN 85 1HG GLN 85 13.553 -10.656 4.415 630 HG3 GLN 85 2HG GLN 85 13.384 -9.342 5.578 631 HE21 GLN 85 1HE2 GLN 85 12.887 -10.222 7.456 632 HE22 GLN 85 2HE2 GLN 85 11.660 -11.408 7.727 633 H THR 86 H THR 86 9.229 -10.390 3.552 634 HA THR 86 HA THR 86 8.068 -8.578 1.542 635 HB THR 86 HB THR 86 6.877 -11.218 2.417 636 HG1 THR 86 1HG THR 86 8.312 -10.384 0.139 637 HG21 THR 86 1HG2 THR 86 4.971 -10.097 1.914 638 HG22 THR 86 2HG2 THR 86 5.452 -10.470 0.259 639 HG23 THR 86 3HG2 THR 86 5.812 -8.887 0.946 640 H THR 87 H THR 87 6.557 -7.181 2.273 641 HA THR 87 HA THR 87 6.031 -7.185 5.150 642 HB THR 87 HB THR 87 6.900 -5.105 4.197 643 HG1 THR 87 1HG THR 87 4.861 -3.810 4.809 644 HG21 THR 87 1HG2 THR 87 5.615 -3.788 2.623 645 HG22 THR 87 2HG2 THR 87 4.341 -5.008 2.596 646 HG23 THR 87 3HG2 THR 87 5.932 -5.379 1.933 647 H SER 88 H SER 88 3.857 -6.573 5.905 648 HA SER 88 HA SER 88 1.634 -7.044 4.118 649 HB2 SER 88 1HB SER 88 2.586 -9.315 5.060 650 HB3 SER 88 2HB SER 88 1.709 -8.839 6.514 651 HG SER 88 HG SER 88 0.292 -8.580 4.163 652 H ALA 89 H ALA 89 -0.133 -5.954 4.760 653 HA ALA 89 HA ALA 89 -0.442 -5.201 7.563 654 HB1 ALA 89 1HB ALA 89 0.280 -3.346 5.401 655 HB2 ALA 89 2HB ALA 89 -1.057 -2.823 6.426 656 HB3 ALA 89 3HB ALA 89 0.508 -3.206 7.144 657 H THR 90 H THR 90 -2.567 -3.854 7.770 658 HA THR 90 HA THR 90 -4.589 -4.899 5.907 659 HB THR 90 HB THR 90 -4.870 -4.872 8.919 660 HG1 THR 90 1HG THR 90 -3.572 -6.591 7.622 661 HG21 THR 90 1HG2 THR 90 -6.916 -6.352 8.138 662 HG22 THR 90 2HG2 THR 90 -6.759 -5.383 6.673 663 HG23 THR 90 3HG2 THR 90 -7.039 -4.596 8.225 664 H LEU 91 H LEU 91 -6.382 -3.595 5.568 665 HA LEU 91 HA LEU 91 -6.156 -0.866 6.652 666 HB2 LEU 91 1HB LEU 91 -5.836 -0.746 4.332 667 HB3 LEU 91 2HB LEU 91 -7.118 -1.912 4.010 668 HG LEU 91 HG LEU 91 -8.792 -0.239 4.653 669 HD11 LEU 91 1HD1 LEU 91 -6.895 1.998 4.591 670 HD12 LEU 91 2HD1 LEU 91 -6.798 0.979 6.027 671 HD13 LEU 91 3HD1 LEU 91 -8.326 1.744 5.591 672 HD21 LEU 91 1HD2 LEU 91 -7.440 1.431 2.754 673 HD22 LEU 91 2HD2 LEU 91 -8.833 0.374 2.520 674 HD23 LEU 91 3HD2 LEU 91 -7.199 -0.267 2.341 675 H THR 92 H THR 92 -7.997 0.201 7.368 676 HA THR 92 HA THR 92 -10.338 -1.532 7.826 677 HB THR 92 HB THR 92 -9.380 0.774 9.534 678 HG1 THR 92 1HG THR 92 -8.194 -0.706 10.454 679 HG21 THR 92 1HG2 THR 92 -11.935 -0.359 9.304 680 HG22 THR 92 2HG2 THR 92 -11.352 0.718 10.573 681 HG23 THR 92 3HG2 THR 92 -11.246 -1.029 10.781 682 H VAL 93 H VAL 93 -12.117 -0.957 6.781 683 HA VAL 93 HA VAL 93 -12.559 1.896 6.199 684 HB VAL 93 HB VAL 93 -13.026 -0.438 4.344 685 HG11 VAL 93 1HG1 VAL 93 -13.615 2.014 3.070 686 HG12 VAL 93 2HG1 VAL 93 -14.708 0.671 3.412 687 HG13 VAL 93 3HG1 VAL 93 -14.521 1.978 4.582 688 HG21 VAL 93 1HG2 VAL 93 -11.638 1.947 3.377 689 HG22 VAL 93 2HG2 VAL 93 -10.797 1.109 4.681 690 HG23 VAL 93 3HG2 VAL 93 -11.219 0.242 3.205 691 H THR 94 H THR 94 -14.281 2.549 7.292 692 HA THR 94 HA THR 94 -16.378 0.644 7.995 693 HB THR 94 HB THR 94 -16.047 3.526 8.852 694 HG1 THR 94 1HG THR 94 -15.499 1.144 10.318 695 HG21 THR 94 1HG2 THR 94 -17.833 3.251 10.281 696 HG22 THR 94 2HG2 THR 94 -17.667 1.496 10.324 697 HG23 THR 94 3HG2 THR 94 -18.361 2.283 8.906 698 H ALA 95 H ALA 95 -18.419 0.698 7.216 699 HA ALA 95 HA ALA 95 -18.928 2.154 4.815 700 HB1 ALA 95 1HB ALA 95 -21.278 0.980 6.056 701 HB2 ALA 95 2HB ALA 95 -20.528 0.635 4.497 702 HB3 ALA 95 3HB ALA 95 -19.926 -0.148 5.958 703 H LEU 96 H LEU 96 -19.667 4.158 4.639 704 HA LEU 96 HA LEU 96 -20.202 5.899 6.679 705 HB2 LEU 96 1HB LEU 96 -21.485 5.934 3.951 706 HB3 LEU 96 2HB LEU 96 -21.339 7.307 5.046 707 HG LEU 96 HG LEU 96 -18.862 5.928 4.117 708 HD11 LEU 96 1HD1 LEU 96 -19.123 7.957 2.324 709 HD12 LEU 96 2HD1 LEU 96 -20.774 7.343 2.408 710 HD13 LEU 96 3HD1 LEU 96 -19.450 6.258 1.982 711 HD21 LEU 96 1HD2 LEU 96 -18.014 8.262 4.254 712 HD22 LEU 96 2HD2 LEU 96 -18.617 7.632 5.787 713 HD23 LEU 96 3HD2 LEU 96 -19.599 8.758 4.848 714 HA PRO 97 HA PRO 97 -24.124 4.882 8.381 715 HB2 PRO 97 1HB PRO 97 -24.939 7.335 9.213 716 HB3 PRO 97 2HB PRO 97 -23.659 6.422 10.022 717 HG2 PRO 97 1HG PRO 97 -23.431 8.657 8.043 718 HG3 PRO 97 2HG PRO 97 -22.511 8.385 9.535 719 HD2 PRO 97 1HD PRO 97 -21.528 7.778 7.086 720 HD3 PRO 97 2HD PRO 97 -21.110 6.848 8.540 721 H SER 98 H SER 98 -26.258 4.781 7.819 722 HA SER 98 HA SER 98 -26.991 6.062 5.302 723 HB2 SER 98 1HB SER 98 -28.115 3.762 6.884 724 HB3 SER 98 2HB SER 98 -29.050 4.514 5.591 725 HG SER 98 HG SER 98 -26.880 2.846 5.448 726 H GLY 99 H GLY 99 -28.180 5.762 8.632 727 HA2 GLY 99 1HA GLY 99 -30.160 7.864 8.082 728 HA3 GLY 99 2HA GLY 99 -30.170 6.786 9.470 729 HA PRO 100 HA PRO 100 -28.422 10.029 11.858 730 HB2 PRO 100 1HB PRO 100 -27.292 8.568 13.847 731 HB3 PRO 100 2HB PRO 100 -29.037 8.807 13.704 732 HG2 PRO 100 1HG PRO 100 -27.372 6.464 12.869 733 HG3 PRO 100 2HG PRO 100 -28.944 6.484 13.689 734 HD2 PRO 100 1HD PRO 100 -28.692 6.024 11.033 735 HD3 PRO 100 2HD PRO 100 -30.103 6.846 11.730 736 H SER 101 H SER 101 -26.678 11.179 11.348 737 HA SER 101 HA SER 101 -24.227 9.836 10.534 738 HB2 SER 101 1HB SER 101 -25.313 12.609 10.275 739 HB3 SER 101 2HB SER 101 -23.568 12.374 10.183 740 HG SER 101 HG SER 101 -24.619 12.248 8.129 741 H SER 102 H SER 102 -22.136 10.987 11.258 742 HA SER 102 HA SER 102 -22.075 12.197 13.832 743 HB2 SER 102 1HB SER 102 -20.903 10.327 15.006 744 HB3 SER 102 2HB SER 102 -22.588 9.969 14.630 745 HG SER 102 HG SER 102 -20.388 9.167 13.027 746 H GLY 103 H GLY 103 -19.750 12.274 14.681 747 HA2 GLY 103 1HA GLY 103 -17.572 12.904 14.323 748 HA3 GLY 103 2HA GLY 103 -17.550 11.695 13.048 Start of MODEL 10 1 H1 GLY 1 H GLY 1 37.997 -8.764 -6.297 2 HA2 GLY 1 1HA GLY 1 38.251 -8.392 -3.376 3 HA3 GLY 1 2HA GLY 1 39.023 -7.310 -4.526 4 H SER 2 H SER 2 36.238 -7.940 -2.710 5 HA SER 2 HA SER 2 34.142 -6.874 -4.103 6 HB2 SER 2 1HB SER 2 33.745 -7.738 -1.914 7 HB3 SER 2 2HB SER 2 34.853 -6.578 -1.181 8 HG SER 2 HG SER 2 32.224 -6.308 -1.774 9 H SER 3 H SER 3 33.801 -5.014 -5.103 10 HA SER 3 HA SER 3 35.143 -2.595 -4.092 11 HB2 SER 3 1HB SER 3 34.815 -3.475 -6.967 12 HB3 SER 3 2HB SER 3 35.302 -1.848 -6.494 13 HG SER 3 HG SER 3 36.699 -4.056 -5.472 14 H GLY 4 H GLY 4 32.474 -3.839 -6.083 15 HA2 GLY 4 1HA GLY 4 30.915 -1.457 -5.287 16 HA3 GLY 4 2HA GLY 4 30.737 -2.249 -6.845 17 H SER 5 H SER 5 30.636 -3.120 -3.387 18 HA SER 5 HA SER 5 28.766 -5.243 -3.862 19 HB2 SER 5 1HB SER 5 30.368 -5.427 -2.035 20 HB3 SER 5 2HB SER 5 29.715 -3.972 -1.282 21 HG SER 5 HG SER 5 28.968 -6.203 -0.575 22 H SER 6 H SER 6 26.594 -5.270 -3.580 23 HA SER 6 HA SER 6 25.285 -2.678 -3.289 24 HB2 SER 6 1HB SER 6 24.335 -5.371 -4.264 25 HB3 SER 6 2HB SER 6 23.229 -4.026 -3.984 26 HG SER 6 HG SER 6 25.024 -4.436 -6.022 27 H GLY 7 H GLY 7 24.780 -5.993 -2.057 28 HA2 GLY 7 1HA GLY 7 24.358 -6.640 0.144 29 HA3 GLY 7 2HA GLY 7 24.286 -4.945 0.603 30 HA PRO 8 HA PRO 8 19.990 -6.988 -0.181 31 HB2 PRO 8 1HB PRO 8 19.451 -8.060 2.255 32 HB3 PRO 8 2HB PRO 8 20.211 -8.976 0.949 33 HG2 PRO 8 1HG PRO 8 21.475 -7.644 3.313 34 HG3 PRO 8 2HG PRO 8 21.813 -9.238 2.614 35 HD2 PRO 8 1HD PRO 8 23.371 -7.077 2.134 36 HD3 PRO 8 2HD PRO 8 23.126 -8.363 0.935 37 H VAL 9 H VAL 9 17.966 -6.385 1.002 38 HA VAL 9 HA VAL 9 18.318 -4.116 2.830 39 HB VAL 9 HB VAL 9 16.361 -3.987 0.545 40 HG11 VAL 9 1HG1 VAL 9 15.689 -2.087 1.482 41 HG12 VAL 9 2HG1 VAL 9 16.698 -2.480 2.876 42 HG13 VAL 9 3HG1 VAL 9 17.344 -1.485 1.571 43 HG21 VAL 9 1HG2 VAL 9 17.863 -2.836 -0.796 44 HG22 VAL 9 2HG2 VAL 9 18.950 -2.484 0.548 45 HG23 VAL 9 3HG2 VAL 9 18.863 -4.117 -0.112 46 H ARG 10 H ARG 10 17.118 -4.403 4.580 47 HA ARG 10 HA ARG 10 14.903 -6.301 4.507 48 HB2 ARG 10 1HB ARG 10 16.417 -4.984 6.757 49 HB3 ARG 10 2HB ARG 10 14.960 -5.930 7.029 50 HG2 ARG 10 1HG ARG 10 16.156 -7.813 5.794 51 HG3 ARG 10 2HG ARG 10 17.621 -6.852 6.006 52 HD2 ARG 10 1HD ARG 10 15.856 -7.455 8.345 53 HD3 ARG 10 2HD ARG 10 17.004 -8.661 7.765 54 HE ARG 10 HE ARG 10 17.603 -6.346 9.291 55 HH11 ARG 10 2HH1 ARG 10 18.835 -8.364 6.735 56 HH12 ARG 10 1HH1 ARG 10 20.495 -7.990 7.062 57 HH21 ARG 10 2HH2 ARG 10 19.785 -5.847 9.732 58 HH22 ARG 10 1HH2 ARG 10 21.034 -6.559 8.768 59 H PHE 11 H PHE 11 13.022 -5.672 6.048 60 HA PHE 11 HA PHE 11 12.022 -3.093 5.109 61 HB2 PHE 11 1HB PHE 11 10.776 -5.633 6.026 62 HB3 PHE 11 2HB PHE 11 9.881 -4.145 6.318 63 HD1 PHE 11 2HD PHE 11 9.997 -2.514 4.124 64 HD2 PHE 11 1HD PHE 11 10.165 -6.767 4.142 65 HE1 PHE 11 2HE PHE 11 9.175 -2.553 1.805 66 HE2 PHE 11 1HE PHE 11 9.344 -6.813 1.823 67 HZ PHE 11 HZ PHE 11 8.847 -4.705 0.652 68 H GLN 12 H GLN 12 12.990 -1.621 6.477 69 HA GLN 12 HA GLN 12 13.245 -1.870 9.252 70 HB2 GLN 12 1HB GLN 12 14.495 -0.212 7.976 71 HB3 GLN 12 2HB GLN 12 13.005 0.626 7.564 72 HG2 GLN 12 1HG GLN 12 14.481 1.556 9.453 73 HG3 GLN 12 2HG GLN 12 12.736 1.477 9.692 74 HE21 GLN 12 1HE2 GLN 12 15.759 -0.205 10.355 75 HE22 GLN 12 2HE2 GLN 12 15.234 -0.952 11.822 76 H GLU 13 H GLU 13 10.822 -0.008 7.409 77 HA GLU 13 HA GLU 13 8.966 -0.387 9.662 78 HB2 GLU 13 1HB GLU 13 9.712 2.115 8.216 79 HB3 GLU 13 2HB GLU 13 8.053 1.934 8.769 80 HG2 GLU 13 1HG GLU 13 10.285 1.432 10.675 81 HG3 GLU 13 2HG GLU 13 9.844 3.090 10.272 82 H ALA 14 H ALA 14 8.774 -2.226 7.832 83 HA ALA 14 HA ALA 14 7.528 -1.911 5.439 84 HB1 ALA 14 1HB ALA 14 7.964 -4.032 7.186 85 HB2 ALA 14 2HB ALA 14 6.225 -4.038 6.890 86 HB3 ALA 14 3HB ALA 14 7.350 -4.124 5.535 87 H LEU 15 H LEU 15 5.184 -2.391 4.897 88 HA LEU 15 HA LEU 15 3.534 -0.338 5.593 89 HB2 LEU 15 1HB LEU 15 2.653 -3.139 4.911 90 HB3 LEU 15 2HB LEU 15 1.665 -1.684 4.787 91 HG LEU 15 HG LEU 15 4.205 -1.904 3.221 92 HD11 LEU 15 1HD1 LEU 15 1.598 -2.845 2.096 93 HD12 LEU 15 2HD1 LEU 15 2.668 -3.962 2.943 94 HD13 LEU 15 3HD1 LEU 15 3.236 -3.118 1.503 95 HD21 LEU 15 1HD2 LEU 15 1.714 -0.289 3.187 96 HD22 LEU 15 2HD2 LEU 15 2.493 -0.637 1.643 97 HD23 LEU 15 3HD2 LEU 15 3.386 0.200 2.914 98 H LYS 16 H LYS 16 1.703 -0.116 6.961 99 HA LYS 16 HA LYS 16 1.551 -1.985 9.217 100 HB2 LYS 16 1HB LYS 16 1.658 1.023 9.506 101 HB3 LYS 16 2HB LYS 16 1.460 -0.137 10.813 102 HG2 LYS 16 1HG LYS 16 3.716 -1.089 10.027 103 HG3 LYS 16 2HG LYS 16 3.887 0.440 9.161 104 HD2 LYS 16 1HD LYS 16 4.949 0.785 11.231 105 HD3 LYS 16 2HD LYS 16 3.375 1.570 11.388 106 HE2 LYS 16 1HE LYS 16 2.646 -0.753 12.343 107 HE3 LYS 16 2HE LYS 16 4.374 -0.958 12.627 108 HZ1 LYS 16 1HZ LYS 16 3.291 1.576 13.502 109 HZ2 LYS 16 2HZ LYS 16 4.359 0.525 14.287 110 HZ3 LYS 16 3HZ LYS 16 2.694 0.231 14.337 111 H ASP 17 H ASP 17 -0.385 -1.119 10.702 112 HA ASP 17 HA ASP 17 -2.718 -1.363 9.077 113 HB2 ASP 17 1HB ASP 17 -2.174 -1.098 12.004 114 HB3 ASP 17 2HB ASP 17 -3.810 -0.804 11.420 115 H LEU 18 H LEU 18 -4.139 0.148 8.402 116 HA LEU 18 HA LEU 18 -3.705 2.927 9.271 117 HB2 LEU 18 1HB LEU 18 -4.317 1.986 6.473 118 HB3 LEU 18 2HB LEU 18 -4.201 3.667 6.987 119 HG LEU 18 HG LEU 18 -1.843 1.884 7.374 120 HD11 LEU 18 1HD1 LEU 18 -1.248 2.910 4.985 121 HD12 LEU 18 2HD1 LEU 18 -2.987 2.708 4.775 122 HD13 LEU 18 3HD1 LEU 18 -1.982 1.319 5.187 123 HD21 LEU 18 1HD2 LEU 18 -0.656 3.989 6.912 124 HD22 LEU 18 2HD2 LEU 18 -1.779 4.135 8.264 125 HD23 LEU 18 3HD2 LEU 18 -2.207 4.798 6.686 126 H GLU 19 H GLU 19 -5.550 4.295 9.216 127 HA GLU 19 HA GLU 19 -8.130 2.914 8.939 128 HB2 GLU 19 1HB GLU 19 -7.539 3.012 11.328 129 HB3 GLU 19 2HB GLU 19 -7.364 4.757 11.210 130 HG2 GLU 19 1HG GLU 19 -9.818 4.691 10.379 131 HG3 GLU 19 2HG GLU 19 -9.842 3.097 11.131 132 H VAL 20 H VAL 20 -9.336 3.930 7.493 133 HA VAL 20 HA VAL 20 -9.319 6.862 7.421 134 HB VAL 20 HB VAL 20 -9.471 5.430 4.813 135 HG11 VAL 20 1HG1 VAL 20 -9.127 8.133 5.804 136 HG12 VAL 20 2HG1 VAL 20 -7.912 7.708 4.597 137 HG13 VAL 20 3HG1 VAL 20 -9.628 7.570 4.210 138 HG21 VAL 20 1HG2 VAL 20 -7.512 4.394 5.465 139 HG22 VAL 20 2HG2 VAL 20 -6.906 5.866 4.707 140 HG23 VAL 20 3HG2 VAL 20 -7.000 5.754 6.464 141 H LEU 21 H LEU 21 -11.221 7.805 6.519 142 HA LEU 21 HA LEU 21 -13.586 6.240 7.035 143 HB2 LEU 21 1HB LEU 21 -13.091 8.775 7.503 144 HB3 LEU 21 2HB LEU 21 -13.671 8.976 5.851 145 HG LEU 21 HG LEU 21 -15.517 9.403 7.252 146 HD11 LEU 21 1HD1 LEU 21 -15.765 7.725 5.301 147 HD12 LEU 21 2HD1 LEU 21 -17.091 7.907 6.450 148 HD13 LEU 21 3HD1 LEU 21 -15.998 6.529 6.577 149 HD21 LEU 21 1HD2 LEU 21 -14.333 8.118 9.200 150 HD22 LEU 21 2HD2 LEU 21 -15.328 6.771 8.645 151 HD23 LEU 21 3HD2 LEU 21 -16.090 8.273 9.170 152 H GLU 22 H GLU 22 -14.859 5.264 5.591 153 HA GLU 22 HA GLU 22 -14.136 4.679 3.021 154 HB2 GLU 22 1HB GLU 22 -15.861 3.348 3.741 155 HB3 GLU 22 2HB GLU 22 -16.735 4.689 4.468 156 HG2 GLU 22 1HG GLU 22 -17.538 5.414 2.344 157 HG3 GLU 22 2HG GLU 22 -16.499 4.267 1.501 158 H GLY 23 H GLY 23 -14.996 5.343 0.941 159 HA2 GLY 23 1HA GLY 23 -15.768 6.888 -0.608 160 HA3 GLY 23 2HA GLY 23 -16.297 7.909 0.720 161 H GLY 24 H GLY 24 -13.025 6.716 0.553 162 HA2 GLY 24 1HA GLY 24 -12.089 9.284 -0.514 163 HA3 GLY 24 2HA GLY 24 -11.545 8.802 1.086 164 H ALA 25 H ALA 25 -9.400 8.545 0.655 165 HA ALA 25 HA ALA 25 -8.718 6.303 -1.118 166 HB1 ALA 25 1HB ALA 25 -8.109 8.117 -2.460 167 HB2 ALA 25 2HB ALA 25 -7.481 9.036 -1.091 168 HB3 ALA 25 3HB ALA 25 -6.602 7.627 -1.684 169 H ALA 26 H ALA 26 -6.769 5.193 -0.572 170 HA ALA 26 HA ALA 26 -6.002 5.553 2.249 171 HB1 ALA 26 1HB ALA 26 -5.892 3.048 0.573 172 HB2 ALA 26 2HB ALA 26 -5.443 3.181 2.274 173 HB3 ALA 26 3HB ALA 26 -7.118 3.429 1.782 174 H THR 27 H THR 27 -4.114 6.559 2.436 175 HA THR 27 HA THR 27 -2.087 6.270 0.357 176 HB THR 27 HB THR 27 -2.034 8.042 2.806 177 HG1 THR 27 1HG THR 27 -3.048 8.414 0.195 178 HG21 THR 27 1HG2 THR 27 -0.300 7.802 0.366 179 HG22 THR 27 2HG2 THR 27 0.177 7.839 2.063 180 HG23 THR 27 3HG2 THR 27 -0.398 9.309 1.276 181 H LEU 28 H LEU 28 -1.063 4.345 0.620 182 HA LEU 28 HA LEU 28 -0.259 3.425 3.241 183 HB2 LEU 28 1HB LEU 28 -0.184 2.347 0.473 184 HB3 LEU 28 2HB LEU 28 0.959 1.694 1.645 185 HG LEU 28 HG LEU 28 -1.194 1.348 3.098 186 HD11 LEU 28 1HD1 LEU 28 -2.591 2.573 1.379 187 HD12 LEU 28 2HD1 LEU 28 -3.201 1.008 1.915 188 HD13 LEU 28 3HD1 LEU 28 -2.398 1.153 0.352 189 HD21 LEU 28 1HD2 LEU 28 -0.966 -0.841 2.618 190 HD22 LEU 28 2HD2 LEU 28 0.411 -0.282 1.668 191 HD23 LEU 28 3HD2 LEU 28 -1.138 -0.590 0.881 192 H ARG 29 H ARG 29 1.847 3.208 3.988 193 HA ARG 29 HA ARG 29 3.992 4.392 2.389 194 HB2 ARG 29 1HB ARG 29 2.941 5.416 4.980 195 HB3 ARG 29 2HB ARG 29 4.681 5.456 4.730 196 HG2 ARG 29 1HG ARG 29 4.452 6.851 2.813 197 HG3 ARG 29 2HG ARG 29 2.698 6.654 2.814 198 HD2 ARG 29 1HD ARG 29 2.575 7.804 4.972 199 HD3 ARG 29 2HD ARG 29 4.327 8.003 4.964 200 HE ARG 29 HE ARG 29 3.037 9.106 2.648 201 HH11 ARG 29 2HH1 ARG 29 3.978 9.695 5.948 202 HH12 ARG 29 1HH1 ARG 29 4.017 11.417 5.766 203 HH21 ARG 29 2HH2 ARG 29 3.084 11.372 2.397 204 HH22 ARG 29 1HH2 ARG 29 3.507 12.370 3.746 205 H CYS 30 H CYS 30 6.109 3.778 3.048 206 HA CYS 30 HA CYS 30 6.553 2.002 5.232 207 HB2 CYS 30 1HB CYS 30 7.353 0.142 3.540 208 HB3 CYS 30 2HB CYS 30 5.678 0.213 4.074 209 HG CYS 30 HG CYS 30 4.673 1.316 1.781 210 H VAL 31 H VAL 31 8.594 2.266 5.852 211 HA VAL 31 HA VAL 31 10.492 3.424 3.933 212 HB VAL 31 HB VAL 31 10.673 3.340 6.948 213 HG11 VAL 31 1HG1 VAL 31 12.855 3.621 6.360 214 HG12 VAL 31 2HG1 VAL 31 12.458 4.336 4.797 215 HG13 VAL 31 3HG1 VAL 31 12.328 5.301 6.268 216 HG21 VAL 31 1HG2 VAL 31 10.314 5.888 6.559 217 HG22 VAL 31 2HG2 VAL 31 9.578 5.368 5.043 218 HG23 VAL 31 3HG2 VAL 31 8.922 4.805 6.581 219 H LEU 32 H LEU 32 12.402 2.459 3.451 220 HA LEU 32 HA LEU 32 12.832 -0.228 4.570 221 HB2 LEU 32 1HB LEU 32 13.861 0.918 1.979 222 HB3 LEU 32 2HB LEU 32 14.046 -0.743 2.537 223 HG LEU 32 HG LEU 32 11.421 -0.715 2.510 224 HD11 LEU 32 1HD1 LEU 32 10.445 0.706 0.877 225 HD12 LEU 32 2HD1 LEU 32 12.019 1.326 0.380 226 HD13 LEU 32 3HD1 LEU 32 11.373 1.734 1.969 227 HD21 LEU 32 1HD2 LEU 32 13.238 -1.902 1.012 228 HD22 LEU 32 2HD2 LEU 32 12.633 -0.779 -0.207 229 HD23 LEU 32 3HD2 LEU 32 11.531 -1.917 0.569 230 H SER 33 H SER 33 15.341 -0.807 4.110 231 HA SER 33 HA SER 33 16.783 0.702 6.025 232 HB2 SER 33 1HB SER 33 17.094 -1.764 5.438 233 HB3 SER 33 2HB SER 33 18.009 -1.211 4.036 234 HG SER 33 HG SER 33 18.895 -1.544 6.482 235 H SER 34 H SER 34 16.518 0.858 2.568 236 HA SER 34 HA SER 34 17.954 3.349 2.514 237 HB2 SER 34 1HB SER 34 19.057 1.035 0.905 238 HB3 SER 34 2HB SER 34 19.672 2.687 0.929 239 HG SER 34 HG SER 34 20.430 0.737 2.464 240 H VAL 35 H VAL 35 18.233 3.968 0.021 241 HA VAL 35 HA VAL 35 15.561 3.956 -1.035 242 HB VAL 35 HB VAL 35 18.031 5.045 -2.382 243 HG11 VAL 35 1HG1 VAL 35 16.658 5.917 -3.909 244 HG12 VAL 35 2HG1 VAL 35 15.428 4.823 -3.272 245 HG13 VAL 35 3HG1 VAL 35 15.524 6.483 -2.683 246 HG21 VAL 35 1HG2 VAL 35 16.295 6.875 -0.859 247 HG22 VAL 35 2HG2 VAL 35 17.297 5.790 0.104 248 HG23 VAL 35 3HG2 VAL 35 18.046 6.878 -1.064 249 H ALA 36 H ALA 36 14.881 2.107 -1.944 250 HA ALA 36 HA ALA 36 16.553 0.951 -4.077 251 HB1 ALA 36 1HB ALA 36 16.383 -0.419 -1.926 252 HB2 ALA 36 2HB ALA 36 14.706 -0.711 -2.392 253 HB3 ALA 36 3HB ALA 36 16.019 -1.239 -3.445 254 H ALA 37 H ALA 37 15.567 0.556 -5.985 255 HA ALA 37 HA ALA 37 12.809 0.105 -6.339 256 HB1 ALA 37 1HB ALA 37 12.860 2.518 -7.711 257 HB2 ALA 37 2HB ALA 37 11.987 2.169 -6.218 258 HB3 ALA 37 3HB ALA 37 13.599 2.881 -6.151 259 HA PRO 38 HA PRO 38 11.431 1.213 -8.235 260 HB2 PRO 38 1HB PRO 38 10.092 -0.430 -9.932 261 HB3 PRO 38 2HB PRO 38 10.841 1.084 -10.452 262 HG2 PRO 38 1HG PRO 38 11.866 -1.718 -10.697 263 HG3 PRO 38 2HG PRO 38 11.899 -0.406 -11.889 264 HD2 PRO 38 1HD PRO 38 14.057 -1.073 -10.396 265 HD3 PRO 38 2HD PRO 38 13.741 0.591 -10.927 266 H VAL 39 H VAL 39 9.483 0.104 -7.411 267 HA VAL 39 HA VAL 39 10.169 -2.459 -6.124 268 HB VAL 39 HB VAL 39 8.170 -0.518 -4.999 269 HG11 VAL 39 1HG1 VAL 39 8.288 -2.921 -4.247 270 HG12 VAL 39 2HG1 VAL 39 9.887 -2.553 -3.597 271 HG13 VAL 39 3HG1 VAL 39 8.466 -1.713 -2.975 272 HG21 VAL 39 1HG2 VAL 39 9.952 0.329 -3.520 273 HG22 VAL 39 2HG2 VAL 39 11.137 -0.580 -4.457 274 HG23 VAL 39 3HG2 VAL 39 10.234 0.732 -5.214 275 H LYS 40 H LYS 40 8.589 -4.049 -5.979 276 HA LYS 40 HA LYS 40 6.260 -3.642 -7.737 277 HB2 LYS 40 1HB LYS 40 8.151 -5.395 -8.252 278 HB3 LYS 40 2HB LYS 40 7.305 -6.362 -7.051 279 HG2 LYS 40 1HG LYS 40 5.277 -6.284 -8.355 280 HG3 LYS 40 2HG LYS 40 6.038 -5.203 -9.525 281 HD2 LYS 40 1HD LYS 40 7.723 -7.008 -9.960 282 HD3 LYS 40 2HD LYS 40 6.749 -8.076 -8.946 283 HE2 LYS 40 1HE LYS 40 6.215 -8.427 -11.284 284 HE3 LYS 40 2HE LYS 40 4.834 -7.722 -10.446 285 HZ1 LYS 40 1HZ LYS 40 6.663 -5.837 -11.684 286 HZ2 LYS 40 2HZ LYS 40 4.973 -5.828 -11.626 287 HZ3 LYS 40 3HZ LYS 40 5.776 -6.802 -12.753 288 H TRP 41 H TRP 41 4.262 -3.989 -6.957 289 HA TRP 41 HA TRP 41 4.051 -4.885 -4.163 290 HB2 TRP 41 1HB TRP 41 2.273 -3.106 -5.835 291 HB3 TRP 41 2HB TRP 41 1.792 -3.737 -4.262 292 HD1 TRP 41 HD TRP 41 5.040 -1.973 -5.489 293 HE1 TRP 41 1HE TRP 41 5.591 -0.098 -3.814 294 HE3 TRP 41 3HE TRP 41 1.087 -2.547 -2.298 295 HZ2 TRP 41 2HZ TRP 41 4.496 0.994 -1.453 296 HZ3 TRP 41 3HZ TRP 41 0.913 -1.047 -0.355 297 HH2 TRP 41 HH TRP 41 2.583 0.686 0.057 298 H CYS 42 H CYS 42 2.094 -6.113 -3.588 299 HA CYS 42 HA CYS 42 0.897 -7.625 -5.783 300 HB2 CYS 42 1HB CYS 42 2.303 -8.901 -3.428 301 HB3 CYS 42 2HB CYS 42 1.307 -9.767 -4.592 302 HG CYS 42 HG CYS 42 3.113 -10.092 -6.402 303 H TYR 43 H TYR 43 -1.227 -7.638 -5.520 304 HA TYR 43 HA TYR 43 -2.340 -7.862 -2.819 305 HB2 TYR 43 1HB TYR 43 -2.411 -5.494 -3.251 306 HB3 TYR 43 2HB TYR 43 -3.093 -5.756 -4.852 307 HD1 TYR 43 2HD TYR 43 -3.962 -6.989 -1.427 308 HD2 TYR 43 1HD TYR 43 -5.269 -5.014 -4.962 309 HE1 TYR 43 2HE TYR 43 -6.228 -6.815 -0.485 310 HE2 TYR 43 1HE TYR 43 -7.538 -4.833 -4.029 311 HH TYR 43 HH TYR 43 -8.575 -6.576 -1.368 312 H GLY 44 H GLY 44 -3.864 -9.376 -2.716 313 HA2 GLY 44 1HA GLY 44 -5.395 -10.960 -3.361 314 HA3 GLY 44 2HA GLY 44 -5.932 -9.776 -4.544 315 H ASN 45 H ASN 45 -5.498 -10.100 -6.658 316 HA ASN 45 HA ASN 45 -3.687 -12.318 -7.345 317 HB2 ASN 45 1HB ASN 45 -6.193 -11.715 -8.904 318 HB3 ASN 45 2HB ASN 45 -5.201 -13.171 -8.943 319 HD21 ASN 45 1HD2 ASN 45 -7.903 -11.670 -7.612 320 HD22 ASN 45 2HD2 ASN 45 -8.278 -12.851 -6.409 321 H ASN 46 H ASN 46 -5.553 -9.746 -8.973 322 HA ASN 46 HA ASN 46 -3.727 -9.402 -11.081 323 HB2 ASN 46 1HB ASN 46 -5.859 -7.594 -9.942 324 HB3 ASN 46 2HB ASN 46 -4.911 -7.166 -11.363 325 HD21 ASN 46 1HD2 ASN 46 -7.630 -8.759 -10.218 326 HD22 ASN 46 2HD2 ASN 46 -8.074 -9.584 -11.670 327 H VAL 47 H VAL 47 -1.634 -9.047 -10.545 328 HA VAL 47 HA VAL 47 -0.498 -7.745 -8.467 329 HB VAL 47 HB VAL 47 0.472 -7.434 -11.310 330 HG11 VAL 47 1HG1 VAL 47 2.675 -7.696 -9.751 331 HG12 VAL 47 2HG1 VAL 47 1.985 -6.150 -10.250 332 HG13 VAL 47 3HG1 VAL 47 1.595 -6.821 -8.666 333 HG21 VAL 47 1HG2 VAL 47 0.085 -9.761 -10.935 334 HG22 VAL 47 2HG2 VAL 47 1.821 -9.480 -10.797 335 HG23 VAL 47 3HG2 VAL 47 0.843 -9.688 -9.345 336 H LEU 48 H LEU 48 -0.110 -5.690 -7.797 337 HA LEU 48 HA LEU 48 -1.772 -3.612 -8.870 338 HB2 LEU 48 1HB LEU 48 0.365 -3.401 -6.758 339 HB3 LEU 48 2HB LEU 48 -0.940 -2.257 -7.062 340 HG LEU 48 HG LEU 48 -1.383 -5.086 -6.123 341 HD11 LEU 48 1HD1 LEU 48 -0.726 -2.610 -4.640 342 HD12 LEU 48 2HD1 LEU 48 -0.388 -4.295 -4.245 343 HD13 LEU 48 3HD1 LEU 48 -2.001 -3.634 -3.980 344 HD21 LEU 48 1HD2 LEU 48 -3.100 -2.989 -7.059 345 HD22 LEU 48 2HD2 LEU 48 -3.453 -3.347 -5.368 346 HD23 LEU 48 3HD2 LEU 48 -3.508 -4.635 -6.573 347 H ARG 49 H ARG 49 -1.256 -2.172 -10.376 348 HA ARG 49 HA ARG 49 1.567 -1.501 -10.809 349 HB2 ARG 49 1HB ARG 49 -0.391 -2.524 -12.841 350 HB3 ARG 49 2HB ARG 49 0.918 -1.455 -13.328 351 HG2 ARG 49 1HG ARG 49 2.560 -3.025 -12.530 352 HG3 ARG 49 2HG ARG 49 1.293 -4.069 -11.884 353 HD2 ARG 49 1HD ARG 49 1.761 -3.395 -14.786 354 HD3 ARG 49 2HD ARG 49 2.104 -4.936 -14.000 355 HE ARG 49 HE ARG 49 -0.146 -5.448 -14.060 356 HH11 ARG 49 2HH1 ARG 49 0.362 -2.137 -15.011 357 HH12 ARG 49 1HH1 ARG 49 -1.253 -1.922 -15.599 358 HH21 ARG 49 2HH2 ARG 49 -2.275 -5.176 -14.831 359 HH22 ARG 49 1HH2 ARG 49 -2.753 -3.650 -15.495 360 HA PRO 50 HA PRO 50 0.186 2.662 -10.986 361 HB2 PRO 50 1HB PRO 50 2.005 3.744 -12.687 362 HB3 PRO 50 2HB PRO 50 2.402 3.267 -11.031 363 HG2 PRO 50 1HG PRO 50 2.887 1.797 -13.594 364 HG3 PRO 50 2HG PRO 50 3.967 2.006 -12.203 365 HD2 PRO 50 1HD PRO 50 2.549 -0.263 -12.619 366 HD3 PRO 50 2HD PRO 50 2.937 0.336 -10.993 367 H GLY 51 H GLY 51 -1.369 3.731 -12.056 368 HA2 GLY 51 1HA GLY 51 -1.453 3.885 -14.919 369 HA3 GLY 51 2HA GLY 51 -2.677 2.801 -14.275 370 H ASP 52 H ASP 52 -4.578 3.669 -13.790 371 HA ASP 52 HA ASP 52 -4.709 6.589 -13.419 372 HB2 ASP 52 1HB ASP 52 -7.050 6.414 -14.234 373 HB3 ASP 52 2HB ASP 52 -5.867 5.898 -15.432 374 H LYS 53 H LYS 53 -6.038 3.492 -12.340 375 HA LYS 53 HA LYS 53 -7.703 4.514 -10.313 376 HB2 LYS 53 1HB LYS 53 -6.523 1.854 -10.954 377 HB3 LYS 53 2HB LYS 53 -7.188 2.090 -9.343 378 HG2 LYS 53 1HG LYS 53 -8.842 2.885 -11.679 379 HG3 LYS 53 2HG LYS 53 -8.655 1.167 -11.321 380 HD2 LYS 53 1HD LYS 53 -9.472 3.163 -9.226 381 HD3 LYS 53 2HD LYS 53 -10.647 2.360 -10.270 382 HE2 LYS 53 1HE LYS 53 -8.630 0.779 -8.718 383 HE3 LYS 53 2HE LYS 53 -10.121 1.333 -7.959 384 HZ1 LYS 53 1HZ LYS 53 -10.557 0.080 -10.501 385 HZ2 LYS 53 2HZ LYS 53 -11.300 -0.216 -9.010 386 HZ3 LYS 53 3HZ LYS 53 -9.826 -0.958 -9.383 387 H TYR 54 H TYR 54 -4.461 3.045 -10.073 388 HA TYR 54 HA TYR 54 -4.139 4.402 -7.479 389 HB2 TYR 54 1HB TYR 54 -2.476 2.082 -8.445 390 HB3 TYR 54 2HB TYR 54 -2.665 2.678 -6.800 391 HD1 TYR 54 1HD TYR 54 -5.752 2.972 -7.039 392 HD2 TYR 54 2HD TYR 54 -3.047 -0.194 -7.908 393 HE1 TYR 54 1HE TYR 54 -7.549 1.338 -6.651 394 HE2 TYR 54 2HE TYR 54 -4.837 -1.837 -7.524 395 HH TYR 54 HH TYR 54 -8.006 -0.856 -6.335 396 H SER 55 H SER 55 -1.805 4.941 -6.964 397 HA SER 55 HA SER 55 -0.283 5.742 -9.336 398 HB2 SER 55 1HB SER 55 -1.819 7.609 -8.310 399 HB3 SER 55 2HB SER 55 -0.558 7.698 -7.080 400 HG SER 55 HG SER 55 -0.453 8.342 -9.798 401 H LEU 56 H LEU 56 1.694 4.951 -9.131 402 HA LEU 56 HA LEU 56 2.750 4.359 -6.475 403 HB2 LEU 56 1HB LEU 56 3.555 3.567 -9.257 404 HB3 LEU 56 2HB LEU 56 4.604 3.279 -7.870 405 HG LEU 56 HG LEU 56 3.062 1.382 -8.745 406 HD11 LEU 56 1HD1 LEU 56 2.555 0.992 -6.102 407 HD12 LEU 56 2HD1 LEU 56 3.864 2.171 -6.042 408 HD13 LEU 56 3HD1 LEU 56 4.090 0.646 -6.897 409 HD21 LEU 56 1HD2 LEU 56 1.144 3.072 -7.153 410 HD22 LEU 56 2HD2 LEU 56 0.883 1.365 -7.510 411 HD23 LEU 56 3HD2 LEU 56 0.979 2.537 -8.825 412 H ARG 57 H ARG 57 3.991 5.796 -5.488 413 HA ARG 57 HA ARG 57 5.976 7.283 -7.031 414 HB2 ARG 57 1HB ARG 57 5.383 9.408 -6.071 415 HB3 ARG 57 2HB ARG 57 3.952 8.725 -6.832 416 HG2 ARG 57 1HG ARG 57 3.094 8.036 -4.675 417 HG3 ARG 57 2HG ARG 57 4.557 8.627 -3.884 418 HD2 ARG 57 1HD ARG 57 2.925 10.472 -5.577 419 HD3 ARG 57 2HD ARG 57 2.408 10.103 -3.932 420 HE ARG 57 HE ARG 57 4.971 10.813 -3.573 421 HH11 ARG 57 2HH1 ARG 57 2.360 12.307 -5.326 422 HH12 ARG 57 1HH1 ARG 57 2.946 13.919 -5.083 423 HH21 ARG 57 2HH2 ARG 57 5.753 12.931 -3.247 424 HH22 ARG 57 1HH2 ARG 57 4.876 14.273 -3.901 425 H GLN 58 H GLN 58 7.889 7.362 -6.029 426 HA GLN 58 HA GLN 58 7.990 6.520 -3.213 427 HB2 GLN 58 1HB GLN 58 9.184 4.970 -4.559 428 HB3 GLN 58 2HB GLN 58 9.974 6.253 -5.465 429 HG2 GLN 58 1HG GLN 58 11.075 6.911 -3.273 430 HG3 GLN 58 2HG GLN 58 10.500 5.365 -2.650 431 HE21 GLN 58 1HE2 GLN 58 12.072 3.941 -2.619 432 HE22 GLN 58 2HE2 GLN 58 13.280 3.723 -3.834 433 H GLU 59 H GLU 59 9.273 7.629 -1.735 434 HA GLU 59 HA GLU 59 10.440 10.167 -2.639 435 HB2 GLU 59 1HB GLU 59 8.054 10.270 -1.526 436 HB3 GLU 59 2HB GLU 59 8.970 10.087 -0.037 437 HG2 GLU 59 1HG GLU 59 9.509 12.231 -2.073 438 HG3 GLU 59 2HG GLU 59 8.449 12.440 -0.680 439 H GLY 60 H GLY 60 12.470 9.097 -2.430 440 HA2 GLY 60 1HA GLY 60 14.392 8.500 -1.325 441 HA3 GLY 60 2HA GLY 60 13.821 9.562 -0.047 442 H ALA 61 H ALA 61 14.252 6.310 -1.076 443 HA ALA 61 HA ALA 61 13.768 4.282 -0.111 444 HB1 ALA 61 1HB ALA 61 14.313 5.332 2.583 445 HB2 ALA 61 2HB ALA 61 15.076 4.008 1.701 446 HB3 ALA 61 3HB ALA 61 15.545 5.676 1.369 447 H MET 62 H MET 62 11.401 5.547 -0.535 448 HA MET 62 HA MET 62 9.763 4.419 1.541 449 HB2 MET 62 1HB MET 62 10.231 6.627 2.500 450 HB3 MET 62 2HB MET 62 9.654 7.397 1.028 451 HG2 MET 62 1HG MET 62 7.844 5.560 2.517 452 HG3 MET 62 2HG MET 62 8.115 7.193 3.122 453 HE1 MET 62 1HE MET 62 6.068 8.493 2.876 454 HE2 MET 62 2HE MET 62 7.257 9.391 1.932 455 HE3 MET 62 3HE MET 62 5.618 9.180 1.315 456 H LEU 63 H LEU 63 8.108 3.470 0.560 457 HA LEU 63 HA LEU 63 7.393 4.323 -2.147 458 HB2 LEU 63 1HB LEU 63 6.892 1.808 -0.581 459 HB3 LEU 63 2HB LEU 63 6.081 2.142 -2.109 460 HG LEU 63 HG LEU 63 7.837 0.771 -2.738 461 HD11 LEU 63 1HD1 LEU 63 9.292 3.366 -2.996 462 HD12 LEU 63 2HD1 LEU 63 7.759 3.125 -3.833 463 HD13 LEU 63 3HD1 LEU 63 9.120 2.053 -4.161 464 HD21 LEU 63 1HD2 LEU 63 10.100 2.104 -1.496 465 HD22 LEU 63 2HD2 LEU 63 9.663 0.396 -1.515 466 HD23 LEU 63 3HD2 LEU 63 8.952 1.475 -0.314 467 H GLU 64 H GLU 64 5.201 4.602 -2.773 468 HA GLU 64 HA GLU 64 3.249 4.913 -0.617 469 HB2 GLU 64 1HB GLU 64 4.474 7.114 -1.178 470 HB3 GLU 64 2HB GLU 64 3.564 7.077 -2.682 471 HG2 GLU 64 1HG GLU 64 1.531 6.745 -1.035 472 HG3 GLU 64 2HG GLU 64 2.627 7.537 0.095 473 H LEU 65 H LEU 65 1.327 4.110 -1.159 474 HA LEU 65 HA LEU 65 0.690 3.812 -4.020 475 HB2 LEU 65 1HB LEU 65 1.276 1.650 -3.171 476 HB3 LEU 65 2HB LEU 65 0.225 1.862 -1.773 477 HG LEU 65 HG LEU 65 -1.688 1.964 -3.499 478 HD11 LEU 65 1HD1 LEU 65 -1.318 1.438 -5.644 479 HD12 LEU 65 2HD1 LEU 65 -0.126 0.203 -5.241 480 HD13 LEU 65 3HD1 LEU 65 0.349 1.901 -5.302 481 HD21 LEU 65 1HD2 LEU 65 -0.548 -0.759 -3.499 482 HD22 LEU 65 2HD2 LEU 65 -2.138 -0.191 -2.990 483 HD23 LEU 65 3HD2 LEU 65 -0.747 0.005 -1.922 484 H VAL 66 H VAL 66 -0.958 5.099 -4.492 485 HA VAL 66 HA VAL 66 -2.937 5.747 -2.441 486 HB VAL 66 HB VAL 66 -2.538 6.909 -5.202 487 HG11 VAL 66 1HG1 VAL 66 -4.016 8.720 -3.811 488 HG12 VAL 66 2HG1 VAL 66 -4.678 7.539 -4.943 489 HG13 VAL 66 3HG1 VAL 66 -4.672 7.197 -3.213 490 HG21 VAL 66 1HG2 VAL 66 -2.150 8.764 -3.068 491 HG22 VAL 66 2HG2 VAL 66 -1.142 7.344 -2.786 492 HG23 VAL 66 3HG2 VAL 66 -1.003 8.238 -4.300 493 H VAL 67 H VAL 67 -4.990 5.045 -2.471 494 HA VAL 67 HA VAL 67 -5.959 3.652 -4.876 495 HB VAL 67 HB VAL 67 -6.319 2.697 -2.032 496 HG11 VAL 67 1HG1 VAL 67 -8.248 2.374 -3.662 497 HG12 VAL 67 2HG1 VAL 67 -7.179 1.272 -4.533 498 HG13 VAL 67 3HG1 VAL 67 -7.628 0.930 -2.862 499 HG21 VAL 67 1HG2 VAL 67 -4.797 1.444 -4.315 500 HG22 VAL 67 2HG2 VAL 67 -4.067 2.292 -2.952 501 HG23 VAL 67 3HG2 VAL 67 -4.963 0.797 -2.683 502 H ARG 68 H ARG 68 -7.564 4.894 -5.602 503 HA ARG 68 HA ARG 68 -9.248 6.382 -3.766 504 HB2 ARG 68 1HB ARG 68 -9.399 6.213 -6.781 505 HB3 ARG 68 2HB ARG 68 -10.205 7.393 -5.755 506 HG2 ARG 68 1HG ARG 68 -7.239 7.186 -5.639 507 HG3 ARG 68 2HG ARG 68 -7.990 7.985 -7.021 508 HD2 ARG 68 1HD ARG 68 -8.817 8.710 -4.242 509 HD3 ARG 68 2HD ARG 68 -7.327 9.370 -4.916 510 HE ARG 68 HE ARG 68 -9.177 9.882 -6.833 511 HH11 ARG 68 2HH1 ARG 68 -8.994 10.533 -3.418 512 HH12 ARG 68 1HH1 ARG 68 -9.935 11.985 -3.512 513 HH21 ARG 68 2HH2 ARG 68 -10.418 11.791 -6.969 514 HH22 ARG 68 1HH2 ARG 68 -10.746 12.698 -5.532 515 H ASN 69 H ASN 69 -11.688 6.415 -4.487 516 HA ASN 69 HA ASN 69 -13.677 5.315 -4.359 517 HB2 ASN 69 1HB ASN 69 -12.121 3.769 -6.385 518 HB3 ASN 69 2HB ASN 69 -13.657 3.111 -5.831 519 HD21 ASN 69 1HD2 ASN 69 -12.725 4.274 -8.426 520 HD22 ASN 69 2HD2 ASN 69 -13.903 5.477 -8.811 521 H LEU 70 H LEU 70 -12.084 4.876 -2.174 522 HA LEU 70 HA LEU 70 -11.552 2.234 -1.479 523 HB2 LEU 70 1HB LEU 70 -12.081 4.740 0.015 524 HB3 LEU 70 2HB LEU 70 -12.167 3.227 0.913 525 HG LEU 70 HG LEU 70 -9.758 4.084 -0.683 526 HD11 LEU 70 1HD1 LEU 70 -9.553 5.656 0.914 527 HD12 LEU 70 2HD1 LEU 70 -8.991 4.301 1.892 528 HD13 LEU 70 3HD1 LEU 70 -10.665 4.840 2.013 529 HD21 LEU 70 1HD2 LEU 70 -10.486 1.623 0.371 530 HD22 LEU 70 2HD2 LEU 70 -9.366 2.293 1.558 531 HD23 LEU 70 3HD2 LEU 70 -8.869 2.121 -0.126 532 H ARG 71 H ARG 71 -12.702 0.713 -0.218 533 HA ARG 71 HA ARG 71 -15.601 1.123 -0.023 534 HB2 ARG 71 1HB ARG 71 -14.176 -1.121 -1.424 535 HB3 ARG 71 2HB ARG 71 -15.780 -1.359 -0.744 536 HG2 ARG 71 1HG ARG 71 -16.730 0.265 -2.184 537 HG3 ARG 71 2HG ARG 71 -15.139 0.828 -2.702 538 HD2 ARG 71 1HD ARG 71 -14.767 -1.033 -4.025 539 HD3 ARG 71 2HD ARG 71 -15.925 -2.021 -3.136 540 HE ARG 71 HE ARG 71 -17.406 -0.023 -4.309 541 HH11 ARG 71 2HH1 ARG 71 -15.275 -2.552 -5.399 542 HH12 ARG 71 1HH1 ARG 71 -16.079 -2.753 -6.920 543 HH21 ARG 71 2HH2 ARG 71 -18.472 -0.278 -6.309 544 HH22 ARG 71 1HH2 ARG 71 -17.897 -1.458 -7.437 545 HA PRO 72 HA PRO 72 -15.145 -0.596 3.996 546 HB2 PRO 72 1HB PRO 72 -17.645 -1.585 4.376 547 HB3 PRO 72 2HB PRO 72 -17.282 0.145 4.404 548 HG2 PRO 72 1HG PRO 72 -18.421 -1.516 2.189 549 HG3 PRO 72 2HG PRO 72 -18.906 0.098 2.740 550 HD2 PRO 72 1HD PRO 72 -17.353 -0.291 0.556 551 HD3 PRO 72 2HD PRO 72 -17.196 1.139 1.597 552 H GLN 73 H GLN 73 -15.713 -2.496 1.247 553 HA GLN 73 HA GLN 73 -15.473 -4.995 2.775 554 HB2 GLN 73 1HB GLN 73 -16.273 -6.138 0.785 555 HB3 GLN 73 2HB GLN 73 -17.389 -4.854 1.231 556 HG2 GLN 73 1HG GLN 73 -16.184 -3.418 -0.480 557 HG3 GLN 73 2HG GLN 73 -15.431 -4.911 -1.039 558 HE21 GLN 73 1HE2 GLN 73 -18.395 -3.117 -0.771 559 HE22 GLN 73 2HE2 GLN 73 -19.311 -4.071 -1.882 560 H ASP 74 H ASP 74 -13.898 -2.947 0.464 561 HA ASP 74 HA ASP 74 -12.060 -4.737 -0.645 562 HB2 ASP 74 1HB ASP 74 -12.547 -2.272 -1.258 563 HB3 ASP 74 2HB ASP 74 -11.357 -1.880 -0.020 564 H SER 75 H SER 75 -12.083 -3.069 2.431 565 HA SER 75 HA SER 75 -9.483 -3.212 3.257 566 HB2 SER 75 1HB SER 75 -10.386 -3.509 5.576 567 HB3 SER 75 2HB SER 75 -11.171 -2.217 4.668 568 HG SER 75 HG SER 75 -12.986 -3.301 4.684 569 H GLY 76 H GLY 76 -8.061 -4.815 3.253 570 HA2 GLY 76 1HA GLY 76 -8.799 -7.412 4.329 571 HA3 GLY 76 2HA GLY 76 -8.328 -7.405 2.636 572 H ARG 77 H ARG 77 -6.322 -8.115 2.410 573 HA ARG 77 HA ARG 77 -4.272 -7.116 4.269 574 HB2 ARG 77 1HB ARG 77 -4.639 -9.372 4.941 575 HB3 ARG 77 2HB ARG 77 -4.665 -9.935 3.275 576 HG2 ARG 77 1HG ARG 77 -2.299 -9.466 3.049 577 HG3 ARG 77 2HG ARG 77 -2.255 -8.812 4.688 578 HD2 ARG 77 1HD ARG 77 -1.411 -11.045 4.765 579 HD3 ARG 77 2HD ARG 77 -3.006 -11.042 5.517 580 HE ARG 77 HE ARG 77 -3.726 -12.463 3.882 581 HH11 ARG 77 2HH1 ARG 77 -0.801 -10.909 2.809 582 HH12 ARG 77 1HH1 ARG 77 -0.665 -11.866 1.371 583 HH21 ARG 77 2HH2 ARG 77 -3.558 -13.729 1.992 584 HH22 ARG 77 1HH2 ARG 77 -2.234 -13.470 0.907 585 H TYR 78 H TYR 78 -2.794 -5.981 3.217 586 HA TYR 78 HA TYR 78 -2.390 -6.479 0.353 587 HB2 TYR 78 1HB TYR 78 -1.749 -4.084 2.081 588 HB3 TYR 78 2HB TYR 78 -1.267 -4.227 0.394 589 HD1 TYR 78 2HD TYR 78 -4.380 -4.647 2.432 590 HD2 TYR 78 1HD TYR 78 -2.606 -3.144 -1.131 591 HE1 TYR 78 2HE TYR 78 -6.557 -3.736 1.739 592 HE2 TYR 78 1HE TYR 78 -4.777 -2.228 -1.833 593 HH TYR 78 HH TYR 78 -7.532 -3.106 -0.899 594 H SER 79 H SER 79 -0.381 -6.877 -0.507 595 HA SER 79 HA SER 79 1.816 -7.285 1.413 596 HB2 SER 79 1HB SER 79 0.908 -9.089 -0.830 597 HB3 SER 79 2HB SER 79 2.510 -9.216 -0.104 598 HG SER 79 HG SER 79 1.536 -10.426 1.308 599 H CYS 80 H CYS 80 3.980 -7.371 0.338 600 HA CYS 80 HA CYS 80 4.171 -5.980 -2.205 601 HB2 CYS 80 1HB CYS 80 4.026 -4.152 -0.569 602 HB3 CYS 80 2HB CYS 80 5.377 -4.840 0.324 603 HG CYS 80 HG CYS 80 5.389 -3.086 -2.561 604 H SER 81 H SER 81 5.770 -6.825 -3.366 605 HA SER 81 HA SER 81 7.749 -8.499 -1.996 606 HB2 SER 81 1HB SER 81 6.220 -9.236 -4.021 607 HB3 SER 81 2HB SER 81 7.471 -8.440 -4.975 608 HG SER 81 HG SER 81 7.607 -10.754 -3.425 609 H PHE 82 H PHE 82 9.829 -7.946 -1.888 610 HA PHE 82 HA PHE 82 11.122 -6.334 -3.862 611 HB2 PHE 82 1HB PHE 82 10.207 -4.432 -2.860 612 HB3 PHE 82 2HB PHE 82 10.311 -5.117 -1.242 613 HD1 PHE 82 1HD PHE 82 12.240 -3.584 -3.977 614 HD2 PHE 82 2HD PHE 82 12.260 -4.862 0.083 615 HE1 PHE 82 1HE PHE 82 14.363 -2.394 -3.616 616 HE2 PHE 82 2HE PHE 82 14.382 -3.673 0.451 617 HZ PHE 82 HZ PHE 82 15.436 -2.436 -1.400 618 H GLY 83 H GLY 83 13.332 -6.508 -3.763 619 HA2 GLY 83 1HA GLY 83 15.228 -7.769 -3.285 620 HA3 GLY 83 2HA GLY 83 15.065 -6.904 -1.764 621 H ASP 84 H ASP 84 13.228 -9.580 -3.229 622 HA ASP 84 HA ASP 84 12.624 -11.619 -2.420 623 HB2 ASP 84 1HB ASP 84 15.375 -11.270 -1.269 624 HB3 ASP 84 2HB ASP 84 14.418 -12.692 -0.866 625 H GLN 85 H GLN 85 11.534 -9.405 -1.090 626 HA GLN 85 HA GLN 85 11.188 -10.527 1.607 627 HB2 GLN 85 1HB GLN 85 11.288 -7.584 0.922 628 HB3 GLN 85 2HB GLN 85 10.983 -8.262 2.516 629 HG2 GLN 85 1HG GLN 85 13.489 -9.032 1.128 630 HG3 GLN 85 2HG GLN 85 13.368 -7.405 1.795 631 HE21 GLN 85 1HE2 GLN 85 12.923 -10.809 2.640 632 HE22 GLN 85 2HE2 GLN 85 13.418 -10.647 4.287 633 H THR 86 H THR 86 9.121 -10.088 2.590 634 HA THR 86 HA THR 86 7.010 -9.152 0.797 635 HB THR 86 HB THR 86 6.821 -11.820 2.207 636 HG1 THR 86 1HG THR 86 8.148 -12.172 0.488 637 HG21 THR 86 1HG2 THR 86 4.847 -11.955 0.503 638 HG22 THR 86 2HG2 THR 86 4.957 -10.195 0.523 639 HG23 THR 86 3HG2 THR 86 4.637 -11.076 2.017 640 H THR 87 H THR 87 6.274 -7.499 1.992 641 HA THR 87 HA THR 87 5.872 -7.879 4.870 642 HB THR 87 HB THR 87 7.096 -5.875 4.325 643 HG1 THR 87 1HG THR 87 5.332 -4.295 5.052 644 HG21 THR 87 1HG2 THR 87 6.385 -5.542 2.033 645 HG22 THR 87 2HG2 THR 87 6.065 -4.079 2.965 646 HG23 THR 87 3HG2 THR 87 4.744 -5.176 2.565 647 H SER 88 H SER 88 3.904 -7.993 5.775 648 HA SER 88 HA SER 88 1.573 -7.574 4.020 649 HB2 SER 88 1HB SER 88 0.542 -9.202 5.874 650 HB3 SER 88 2HB SER 88 1.370 -9.818 4.444 651 HG SER 88 HG SER 88 2.730 -9.288 6.866 652 H ALA 89 H ALA 89 -0.117 -6.371 4.755 653 HA ALA 89 HA ALA 89 -0.095 -5.437 7.527 654 HB1 ALA 89 1HB ALA 89 0.558 -3.807 5.200 655 HB2 ALA 89 2HB ALA 89 -0.740 -3.132 6.185 656 HB3 ALA 89 3HB ALA 89 0.823 -3.495 6.916 657 H THR 90 H THR 90 -2.114 -3.922 7.825 658 HA THR 90 HA THR 90 -4.384 -5.105 6.365 659 HB THR 90 HB THR 90 -4.425 -4.402 9.303 660 HG1 THR 90 1HG THR 90 -4.505 -6.801 9.459 661 HG21 THR 90 1HG2 THR 90 -6.624 -4.314 8.467 662 HG22 THR 90 2HG2 THR 90 -6.476 -5.925 9.170 663 HG23 THR 90 3HG2 THR 90 -6.372 -5.712 7.422 664 H LEU 91 H LEU 91 -6.312 -3.790 6.293 665 HA LEU 91 HA LEU 91 -5.862 -0.934 6.819 666 HB2 LEU 91 1HB LEU 91 -5.425 -1.272 4.472 667 HB3 LEU 91 2HB LEU 91 -6.939 -2.153 4.282 668 HG LEU 91 HG LEU 91 -8.185 -0.086 4.736 669 HD11 LEU 91 1HD1 LEU 91 -7.090 2.034 4.918 670 HD12 LEU 91 2HD1 LEU 91 -5.507 1.293 4.687 671 HD13 LEU 91 3HD1 LEU 91 -6.430 0.962 6.153 672 HD21 LEU 91 1HD2 LEU 91 -6.799 1.129 2.655 673 HD22 LEU 91 2HD2 LEU 91 -8.147 0.000 2.514 674 HD23 LEU 91 3HD2 LEU 91 -6.487 -0.596 2.454 675 H THR 92 H THR 92 -7.567 0.136 7.656 676 HA THR 92 HA THR 92 -10.066 -1.389 7.986 677 HB THR 92 HB THR 92 -8.958 0.827 9.722 678 HG1 THR 92 1HG THR 92 -8.187 -0.740 10.940 679 HG21 THR 92 1HG2 THR 92 -10.849 -0.082 11.252 680 HG22 THR 92 2HG2 THR 92 -11.542 -0.689 9.748 681 HG23 THR 92 3HG2 THR 92 -11.260 1.039 9.956 682 H VAL 93 H VAL 93 -11.919 -0.588 7.204 683 HA VAL 93 HA VAL 93 -11.986 2.232 6.364 684 HB VAL 93 HB VAL 93 -13.080 -0.097 4.778 685 HG11 VAL 93 1HG1 VAL 93 -13.890 2.598 4.840 686 HG12 VAL 93 2HG1 VAL 93 -12.977 2.378 3.346 687 HG13 VAL 93 3HG1 VAL 93 -14.367 1.348 3.691 688 HG21 VAL 93 1HG2 VAL 93 -10.498 0.607 4.876 689 HG22 VAL 93 2HG2 VAL 93 -11.274 0.007 3.411 690 HG23 VAL 93 3HG2 VAL 93 -11.058 1.741 3.647 691 H THR 94 H THR 94 -13.431 3.161 7.661 692 HA THR 94 HA THR 94 -15.692 1.690 8.706 693 HB THR 94 HB THR 94 -14.988 4.612 9.052 694 HG1 THR 94 1HG THR 94 -14.350 2.285 10.555 695 HG21 THR 94 1HG2 THR 94 -16.938 4.805 10.110 696 HG22 THR 94 2HG2 THR 94 -16.445 3.540 11.236 697 HG23 THR 94 3HG2 THR 94 -17.310 3.118 9.758 698 H ALA 95 H ALA 95 -17.736 1.760 7.991 699 HA ALA 95 HA ALA 95 -18.331 2.926 5.470 700 HB1 ALA 95 1HB ALA 95 -19.793 1.319 7.478 701 HB2 ALA 95 2HB ALA 95 -20.764 2.275 6.358 702 HB3 ALA 95 3HB ALA 95 -19.621 1.083 5.738 703 H LEU 96 H LEU 96 -18.812 4.975 5.071 704 HA LEU 96 HA LEU 96 -19.274 6.893 7.092 705 HB2 LEU 96 1HB LEU 96 -19.204 8.445 5.432 706 HB3 LEU 96 2HB LEU 96 -18.413 7.100 4.613 707 HG LEU 96 HG LEU 96 -20.748 6.570 3.671 708 HD11 LEU 96 1HD1 LEU 96 -21.502 8.613 5.351 709 HD12 LEU 96 2HD1 LEU 96 -22.454 7.961 4.018 710 HD13 LEU 96 3HD1 LEU 96 -21.451 9.390 3.769 711 HD21 LEU 96 1HD2 LEU 96 -19.651 7.301 1.883 712 HD22 LEU 96 2HD2 LEU 96 -18.685 8.407 2.859 713 HD23 LEU 96 3HD2 LEU 96 -20.257 8.918 2.240 714 HA PRO 97 HA PRO 97 -23.605 6.553 7.786 715 HB2 PRO 97 1HB PRO 97 -24.124 9.083 8.622 716 HB3 PRO 97 2HB PRO 97 -23.269 7.899 9.617 717 HG2 PRO 97 1HG PRO 97 -22.160 10.121 7.944 718 HG3 PRO 97 2HG PRO 97 -21.693 9.608 9.576 719 HD2 PRO 97 1HD PRO 97 -20.282 8.916 7.372 720 HD3 PRO 97 2HD PRO 97 -20.406 7.863 8.796 721 H SER 98 H SER 98 -24.748 6.282 5.937 722 HA SER 98 HA SER 98 -24.862 8.198 3.841 723 HB2 SER 98 1HB SER 98 -26.335 6.708 2.753 724 HB3 SER 98 2HB SER 98 -25.273 5.663 3.697 725 HG SER 98 HG SER 98 -26.904 5.100 4.920 726 H GLY 99 H GLY 99 -27.223 8.786 3.025 727 HA2 GLY 99 1HA GLY 99 -29.067 9.498 5.124 728 HA3 GLY 99 2HA GLY 99 -28.189 10.872 4.468 729 HA PRO 100 HA PRO 100 -31.901 9.419 1.773 730 HB2 PRO 100 1HB PRO 100 -33.907 10.921 2.817 731 HB3 PRO 100 2HB PRO 100 -33.558 9.275 3.358 732 HG2 PRO 100 1HG PRO 100 -32.776 11.884 4.601 733 HG3 PRO 100 2HG PRO 100 -33.386 10.412 5.379 734 HD2 PRO 100 1HD PRO 100 -30.758 11.062 5.350 735 HD3 PRO 100 2HD PRO 100 -31.326 9.380 5.328 736 H SER 101 H SER 101 -31.092 10.523 0.044 737 HA SER 101 HA SER 101 -31.624 13.420 -0.032 738 HB2 SER 101 1HB SER 101 -29.224 11.910 -1.068 739 HB3 SER 101 2HB SER 101 -29.627 13.537 -1.616 740 HG SER 101 HG SER 101 -28.806 12.666 0.927 741 H SER 102 H SER 102 -30.823 10.700 -2.201 742 HA SER 102 HA SER 102 -32.266 11.842 -4.391 743 HB2 SER 102 1HB SER 102 -30.305 10.367 -4.718 744 HB3 SER 102 2HB SER 102 -31.222 9.019 -4.047 745 HG SER 102 HG SER 102 -32.794 9.712 -5.831 746 H GLY 103 H GLY 103 -34.413 11.967 -4.383 747 HA2 GLY 103 1HA GLY 103 -35.944 9.741 -3.199 748 HA3 GLY 103 2HA GLY 103 -36.531 11.390 -3.358 Start of MODEL 11 1 H1 GLY 1 H GLY 1 25.492 -9.766 -4.285 2 HA2 GLY 1 1HA GLY 1 23.739 -11.048 -5.764 3 HA3 GLY 1 2HA GLY 1 23.166 -10.083 -4.411 4 H SER 2 H SER 2 21.213 -9.522 -5.315 5 HA SER 2 HA SER 2 21.329 -7.922 -7.785 6 HB2 SER 2 1HB SER 2 19.009 -8.490 -8.160 7 HB3 SER 2 2HB SER 2 19.901 -9.979 -7.847 8 HG SER 2 HG SER 2 19.162 -9.363 -5.519 9 H SER 3 H SER 3 21.227 -5.809 -7.475 10 HA SER 3 HA SER 3 20.773 -3.766 -6.580 11 HB2 SER 3 1HB SER 3 18.248 -5.272 -5.912 12 HB3 SER 3 2HB SER 3 18.448 -3.568 -5.508 13 HG SER 3 HG SER 3 19.038 -4.358 -8.116 14 H GLY 4 H GLY 4 22.442 -5.370 -5.033 15 HA2 GLY 4 1HA GLY 4 22.154 -4.086 -2.479 16 HA3 GLY 4 2HA GLY 4 21.874 -5.819 -2.400 17 H SER 5 H SER 5 24.207 -3.329 -2.556 18 HA SER 5 HA SER 5 26.432 -4.857 -3.434 19 HB2 SER 5 1HB SER 5 26.157 -2.257 -1.937 20 HB3 SER 5 2HB SER 5 27.738 -2.975 -2.246 21 HG SER 5 HG SER 5 26.711 -3.075 -4.542 22 H SER 6 H SER 6 25.361 -3.854 -0.189 23 HA SER 6 HA SER 6 26.847 -6.146 0.907 24 HB2 SER 6 1HB SER 6 27.477 -4.809 2.853 25 HB3 SER 6 2HB SER 6 28.067 -4.044 1.377 26 HG SER 6 HG SER 6 25.595 -3.330 2.543 27 H GLY 7 H GLY 7 25.213 -7.509 1.377 28 HA2 GLY 7 1HA GLY 7 23.535 -8.365 2.723 29 HA3 GLY 7 2HA GLY 7 23.439 -6.808 3.532 30 HA PRO 8 HA PRO 8 20.037 -7.539 0.194 31 HB2 PRO 8 1HB PRO 8 18.140 -8.847 1.630 32 HB3 PRO 8 2HB PRO 8 19.368 -9.685 0.674 33 HG2 PRO 8 1HG PRO 8 19.302 -9.146 3.618 34 HG3 PRO 8 2HG PRO 8 19.768 -10.627 2.762 35 HD2 PRO 8 1HD PRO 8 21.587 -8.878 3.744 36 HD3 PRO 8 2HD PRO 8 21.876 -9.832 2.275 37 H VAL 9 H VAL 9 17.974 -6.454 0.188 38 HA VAL 9 HA VAL 9 17.912 -4.203 1.958 39 HB VAL 9 HB VAL 9 15.925 -5.073 -0.146 40 HG11 VAL 9 1HG1 VAL 9 14.863 -3.617 1.466 41 HG12 VAL 9 2HG1 VAL 9 16.193 -2.463 1.343 42 HG13 VAL 9 3HG1 VAL 9 15.131 -2.739 -0.039 43 HG21 VAL 9 1HG2 VAL 9 17.156 -2.856 -1.111 44 HG22 VAL 9 2HG2 VAL 9 18.479 -3.624 -0.235 45 HG23 VAL 9 3HG2 VAL 9 17.630 -4.509 -1.502 46 H ARG 10 H ARG 10 16.943 -4.089 3.865 47 HA ARG 10 HA ARG 10 14.968 -6.136 4.576 48 HB2 ARG 10 1HB ARG 10 16.903 -4.474 6.113 49 HB3 ARG 10 2HB ARG 10 15.413 -4.949 6.918 50 HG2 ARG 10 1HG ARG 10 17.090 -6.997 5.533 51 HG3 ARG 10 2HG ARG 10 17.519 -6.430 7.148 52 HD2 ARG 10 1HD ARG 10 14.752 -7.396 6.503 53 HD3 ARG 10 2HD ARG 10 16.038 -8.517 6.949 54 HE ARG 10 HE ARG 10 16.040 -6.591 8.906 55 HH11 ARG 10 2HH1 ARG 10 13.730 -8.853 7.615 56 HH12 ARG 10 1HH1 ARG 10 12.871 -9.028 9.110 57 HH21 ARG 10 2HH2 ARG 10 14.917 -6.813 10.879 58 HH22 ARG 10 1HH2 ARG 10 13.547 -7.866 10.965 59 H PHE 11 H PHE 11 13.237 -5.348 6.147 60 HA PHE 11 HA PHE 11 12.020 -2.944 4.991 61 HB2 PHE 11 1HB PHE 11 10.960 -5.445 6.207 62 HB3 PHE 11 2HB PHE 11 10.008 -3.979 6.415 63 HD1 PHE 11 2HD PHE 11 9.412 -2.658 4.303 64 HD2 PHE 11 1HD PHE 11 10.811 -6.678 4.249 65 HE1 PHE 11 2HE PHE 11 8.465 -2.954 2.052 66 HE2 PHE 11 1HE PHE 11 9.867 -6.980 1.997 67 HZ PHE 11 HZ PHE 11 8.691 -5.117 0.896 68 H GLN 12 H GLN 12 13.388 -1.542 6.277 69 HA GLN 12 HA GLN 12 13.564 -1.518 9.042 70 HB2 GLN 12 1HB GLN 12 14.910 -0.083 7.561 71 HB3 GLN 12 2HB GLN 12 13.479 0.869 7.188 72 HG2 GLN 12 1HG GLN 12 14.659 2.106 8.787 73 HG3 GLN 12 2HG GLN 12 13.324 1.358 9.663 74 HE21 GLN 12 1HE2 GLN 12 14.573 1.726 11.574 75 HE22 GLN 12 2HE2 GLN 12 15.842 0.636 12.006 76 H GLU 13 H GLU 13 11.338 0.456 7.067 77 HA GLU 13 HA GLU 13 9.445 0.389 9.324 78 HB2 GLU 13 1HB GLU 13 10.401 2.687 7.680 79 HB3 GLU 13 2HB GLU 13 8.731 2.695 8.228 80 HG2 GLU 13 1HG GLU 13 11.106 2.380 10.045 81 HG3 GLU 13 2HG GLU 13 10.299 3.911 9.714 82 H ALA 14 H ALA 14 8.861 -1.565 7.901 83 HA ALA 14 HA ALA 14 7.640 -1.253 5.400 84 HB1 ALA 14 1HB ALA 14 8.064 -3.353 7.246 85 HB2 ALA 14 2HB ALA 14 6.351 -3.355 6.824 86 HB3 ALA 14 3HB ALA 14 7.572 -3.464 5.556 87 H LEU 15 H LEU 15 5.186 -1.989 5.200 88 HA LEU 15 HA LEU 15 3.589 0.157 5.775 89 HB2 LEU 15 1HB LEU 15 2.620 -2.692 5.638 90 HB3 LEU 15 2HB LEU 15 1.687 -1.236 5.296 91 HG LEU 15 HG LEU 15 4.065 -2.096 3.659 92 HD11 LEU 15 1HD1 LEU 15 1.490 -2.425 2.391 93 HD12 LEU 15 2HD1 LEU 15 1.640 -3.438 3.827 94 HD13 LEU 15 3HD1 LEU 15 2.832 -3.561 2.533 95 HD21 LEU 15 1HD2 LEU 15 3.494 -0.425 2.187 96 HD22 LEU 15 2HD2 LEU 15 3.087 0.328 3.729 97 HD23 LEU 15 3HD2 LEU 15 1.815 -0.372 2.726 98 H LYS 16 H LYS 16 1.571 0.136 7.176 99 HA LYS 16 HA LYS 16 1.793 -1.292 9.682 100 HB2 LYS 16 1HB LYS 16 1.987 1.725 9.613 101 HB3 LYS 16 2HB LYS 16 1.826 0.746 11.065 102 HG2 LYS 16 1HG LYS 16 3.990 -0.392 10.315 103 HG3 LYS 16 2HG LYS 16 4.165 0.970 9.206 104 HD2 LYS 16 1HD LYS 16 3.600 1.503 12.087 105 HD3 LYS 16 2HD LYS 16 5.234 1.044 11.601 106 HE2 LYS 16 1HE LYS 16 5.325 3.345 11.457 107 HE3 LYS 16 2HE LYS 16 4.927 2.896 9.800 108 HZ1 LYS 16 1HZ LYS 16 2.878 3.635 11.811 109 HZ2 LYS 16 2HZ LYS 16 2.674 3.472 10.140 110 HZ3 LYS 16 3HZ LYS 16 3.585 4.756 10.759 111 H ASP 17 H ASP 17 -0.119 -1.308 10.871 112 HA ASP 17 HA ASP 17 -2.507 -1.407 9.686 113 HB2 ASP 17 1HB ASP 17 -3.528 -1.305 11.777 114 HB3 ASP 17 2HB ASP 17 -1.872 -1.746 12.186 115 H LEU 18 H LEU 18 -4.103 -0.092 8.950 116 HA LEU 18 HA LEU 18 -3.938 2.780 9.422 117 HB2 LEU 18 1HB LEU 18 -4.287 3.157 6.937 118 HB3 LEU 18 2HB LEU 18 -2.666 2.704 7.462 119 HG LEU 18 HG LEU 18 -4.505 0.561 6.510 120 HD11 LEU 18 1HD1 LEU 18 -4.631 2.487 4.886 121 HD12 LEU 18 2HD1 LEU 18 -4.046 0.959 4.227 122 HD13 LEU 18 3HD1 LEU 18 -2.906 2.250 4.604 123 HD21 LEU 18 1HD2 LEU 18 -2.435 -0.206 7.323 124 HD22 LEU 18 2HD2 LEU 18 -1.544 1.079 6.508 125 HD23 LEU 18 3HD2 LEU 18 -2.278 -0.221 5.567 126 H GLU 19 H GLU 19 -5.891 3.858 9.209 127 HA GLU 19 HA GLU 19 -8.224 2.260 8.422 128 HB2 GLU 19 1HB GLU 19 -8.107 2.120 10.847 129 HB3 GLU 19 2HB GLU 19 -7.971 3.869 10.968 130 HG2 GLU 19 1HG GLU 19 -10.246 3.917 9.775 131 HG3 GLU 19 2HG GLU 19 -10.349 2.216 10.224 132 H VAL 20 H VAL 20 -9.684 3.336 7.227 133 HA VAL 20 HA VAL 20 -9.747 6.251 7.270 134 HB VAL 20 HB VAL 20 -9.290 4.696 4.720 135 HG11 VAL 20 1HG1 VAL 20 -9.070 7.090 3.809 136 HG12 VAL 20 2HG1 VAL 20 -10.691 6.464 4.121 137 HG13 VAL 20 3HG1 VAL 20 -9.937 7.573 5.267 138 HG21 VAL 20 1HG2 VAL 20 -7.138 5.640 4.621 139 HG22 VAL 20 2HG2 VAL 20 -7.492 6.790 5.911 140 HG23 VAL 20 3HG2 VAL 20 -7.313 5.076 6.283 141 H LEU 21 H LEU 21 -11.658 7.151 6.390 142 HA LEU 21 HA LEU 21 -13.948 5.434 6.638 143 HB2 LEU 21 1HB LEU 21 -13.604 7.976 7.255 144 HB3 LEU 21 2HB LEU 21 -14.154 8.216 5.598 145 HG LEU 21 HG LEU 21 -16.167 6.750 6.308 146 HD11 LEU 21 1HD1 LEU 21 -14.805 6.437 8.601 147 HD12 LEU 21 2HD1 LEU 21 -16.562 6.341 8.489 148 HD13 LEU 21 3HD1 LEU 21 -15.793 7.836 9.023 149 HD21 LEU 21 1HD2 LEU 21 -16.767 8.889 5.791 150 HD22 LEU 21 2HD2 LEU 21 -15.606 9.605 6.909 151 HD23 LEU 21 3HD2 LEU 21 -17.104 8.905 7.522 152 H GLU 22 H GLU 22 -15.227 4.619 5.070 153 HA GLU 22 HA GLU 22 -14.296 4.164 2.515 154 HB2 GLU 22 1HB GLU 22 -16.348 3.177 2.052 155 HB3 GLU 22 2HB GLU 22 -16.276 3.092 3.806 156 HG2 GLU 22 1HG GLU 22 -17.761 4.938 4.035 157 HG3 GLU 22 2HG GLU 22 -17.689 5.280 2.307 158 H GLY 23 H GLY 23 -14.957 4.955 0.440 159 HA2 GLY 23 1HA GLY 23 -15.992 6.570 -0.969 160 HA3 GLY 23 2HA GLY 23 -16.171 7.628 0.423 161 H GLY 24 H GLY 24 -13.587 7.616 1.429 162 HA2 GLY 24 1HA GLY 24 -12.316 9.398 -0.453 163 HA3 GLY 24 2HA GLY 24 -11.765 9.030 1.174 164 H ALA 25 H ALA 25 -9.641 8.643 0.712 165 HA ALA 25 HA ALA 25 -9.110 6.193 -0.818 166 HB1 ALA 25 1HB ALA 25 -8.458 8.746 -1.730 167 HB2 ALA 25 2HB ALA 25 -6.946 8.072 -1.122 168 HB3 ALA 25 3HB ALA 25 -7.865 7.206 -2.354 169 H ALA 26 H ALA 26 -7.002 5.223 -0.315 170 HA ALA 26 HA ALA 26 -6.190 5.816 2.456 171 HB1 ALA 26 1HB ALA 26 -6.003 3.157 1.050 172 HB2 ALA 26 2HB ALA 26 -5.682 3.489 2.752 173 HB3 ALA 26 3HB ALA 26 -7.322 3.629 2.121 174 H THR 27 H THR 27 -4.078 6.146 2.902 175 HA THR 27 HA THR 27 -2.178 5.907 0.660 176 HB THR 27 HB THR 27 -2.074 7.913 2.921 177 HG1 THR 27 1HG THR 27 -3.116 9.242 1.624 178 HG21 THR 27 1HG2 THR 27 -0.290 8.953 1.606 179 HG22 THR 27 2HG2 THR 27 -0.413 7.663 0.410 180 HG23 THR 27 3HG2 THR 27 0.131 7.299 2.047 181 H LEU 28 H LEU 28 -0.611 4.475 0.957 182 HA LEU 28 HA LEU 28 0.027 3.630 3.699 183 HB2 LEU 28 1HB LEU 28 0.489 2.241 1.064 184 HB3 LEU 28 2HB LEU 28 0.988 1.616 2.635 185 HG LEU 28 HG LEU 28 -1.532 1.757 3.221 186 HD11 LEU 28 1HD1 LEU 28 -1.601 2.742 0.592 187 HD12 LEU 28 2HD1 LEU 28 -2.965 2.347 1.637 188 HD13 LEU 28 3HD1 LEU 28 -2.315 1.130 0.540 189 HD21 LEU 28 1HD2 LEU 28 -0.286 -0.322 3.023 190 HD22 LEU 28 2HD2 LEU 28 -0.471 -0.285 1.270 191 HD23 LEU 28 3HD2 LEU 28 -1.887 -0.487 2.302 192 H ARG 29 H ARG 29 1.987 3.992 4.536 193 HA ARG 29 HA ARG 29 4.123 4.897 2.719 194 HB2 ARG 29 1HB ARG 29 3.107 6.067 5.258 195 HB3 ARG 29 2HB ARG 29 4.843 6.125 4.981 196 HG2 ARG 29 1HG ARG 29 4.370 7.212 2.779 197 HG3 ARG 29 2HG ARG 29 2.677 7.310 3.266 198 HD2 ARG 29 1HD ARG 29 3.307 8.640 5.213 199 HD3 ARG 29 2HD ARG 29 5.005 8.521 4.753 200 HE ARG 29 HE ARG 29 3.320 9.657 2.716 201 HH11 ARG 29 2HH1 ARG 29 5.237 10.305 5.549 202 HH12 ARG 29 1HH1 ARG 29 5.506 11.969 5.146 203 HH21 ARG 29 2HH2 ARG 29 3.667 11.845 2.175 204 HH22 ARG 29 1HH2 ARG 29 4.612 12.844 3.227 205 H CYS 30 H CYS 30 6.215 4.227 3.165 206 HA CYS 30 HA CYS 30 6.968 2.818 5.501 207 HB2 CYS 30 1HB CYS 30 7.267 0.574 4.479 208 HB3 CYS 30 2HB CYS 30 5.577 1.042 4.621 209 HG CYS 30 HG CYS 30 5.036 1.278 2.036 210 H VAL 31 H VAL 31 9.134 2.819 5.675 211 HA VAL 31 HA VAL 31 10.671 3.604 3.294 212 HB VAL 31 HB VAL 31 11.381 3.912 6.215 213 HG11 VAL 31 1HG1 VAL 31 13.471 4.369 5.612 214 HG12 VAL 31 2HG1 VAL 31 13.071 3.792 3.992 215 HG13 VAL 31 3HG1 VAL 31 12.924 5.507 4.381 216 HG21 VAL 31 1HG2 VAL 31 11.039 6.256 4.451 217 HG22 VAL 31 2HG2 VAL 31 9.568 5.386 4.890 218 HG23 VAL 31 3HG2 VAL 31 10.615 6.041 6.150 219 H LEU 32 H LEU 32 12.199 2.303 2.490 220 HA LEU 32 HA LEU 32 12.624 -0.277 3.770 221 HB2 LEU 32 1HB LEU 32 13.605 0.736 1.107 222 HB3 LEU 32 2HB LEU 32 13.679 -0.928 1.683 223 HG LEU 32 HG LEU 32 11.022 0.411 1.426 224 HD11 LEU 32 1HD1 LEU 32 11.437 0.840 -0.733 225 HD12 LEU 32 2HD1 LEU 32 11.260 -0.902 -0.941 226 HD13 LEU 32 3HD1 LEU 32 12.866 -0.194 -0.770 227 HD21 LEU 32 1HD2 LEU 32 10.994 -1.730 2.448 228 HD22 LEU 32 2HD2 LEU 32 12.066 -2.406 1.221 229 HD23 LEU 32 3HD2 LEU 32 10.415 -1.949 0.797 230 H SER 33 H SER 33 14.683 -1.133 4.229 231 HA SER 33 HA SER 33 16.435 0.348 5.652 232 HB2 SER 33 1HB SER 33 16.746 -2.170 4.087 233 HB3 SER 33 2HB SER 33 18.208 -1.410 4.716 234 HG SER 33 HG SER 33 17.683 -2.409 6.489 235 H SER 34 H SER 34 16.665 -0.259 2.162 236 HA SER 34 HA SER 34 18.234 2.192 1.891 237 HB2 SER 34 1HB SER 34 19.154 -0.562 1.170 238 HB3 SER 34 2HB SER 34 19.641 0.790 0.149 239 HG SER 34 HG SER 34 21.078 0.249 1.955 240 H VAL 35 H VAL 35 18.596 2.630 -0.554 241 HA VAL 35 HA VAL 35 15.981 2.475 -1.805 242 HB VAL 35 HB VAL 35 18.439 3.841 -2.896 243 HG11 VAL 35 1HG1 VAL 35 17.114 4.360 -4.599 244 HG12 VAL 35 2HG1 VAL 35 15.780 3.481 -3.850 245 HG13 VAL 35 3HG1 VAL 35 16.023 5.191 -3.490 246 HG21 VAL 35 1HG2 VAL 35 16.348 5.344 -1.405 247 HG22 VAL 35 2HG2 VAL 35 17.571 4.468 -0.485 248 HG23 VAL 35 3HG2 VAL 35 18.057 5.713 -1.635 249 H ALA 36 H ALA 36 15.561 0.634 -2.857 250 HA ALA 36 HA ALA 36 17.540 -0.295 -4.828 251 HB1 ALA 36 1HB ALA 36 15.889 -2.008 -2.978 252 HB2 ALA 36 2HB ALA 36 16.810 -2.624 -4.350 253 HB3 ALA 36 3HB ALA 36 17.645 -1.849 -3.004 254 H ALA 37 H ALA 37 14.971 1.352 -4.843 255 HA ALA 37 HA ALA 37 12.906 -0.083 -6.069 256 HB1 ALA 37 1HB ALA 37 12.844 2.489 -7.168 257 HB2 ALA 37 2HB ALA 37 11.965 1.903 -5.755 258 HB3 ALA 37 3HB ALA 37 13.539 2.674 -5.558 259 HA PRO 38 HA PRO 38 11.403 1.146 -7.786 260 HB2 PRO 38 1HB PRO 38 10.079 -0.375 -9.603 261 HB3 PRO 38 2HB PRO 38 10.733 1.222 -9.982 262 HG2 PRO 38 1HG PRO 38 11.880 -1.481 -10.563 263 HG3 PRO 38 2HG PRO 38 11.803 -0.050 -11.608 264 HD2 PRO 38 1HD PRO 38 14.049 -0.758 -10.270 265 HD3 PRO 38 2HD PRO 38 13.631 0.934 -10.607 266 H VAL 39 H VAL 39 9.406 -0.348 -7.386 267 HA VAL 39 HA VAL 39 10.352 -2.867 -6.179 268 HB VAL 39 HB VAL 39 8.681 -2.574 -4.404 269 HG11 VAL 39 1HG1 VAL 39 9.805 -0.243 -3.591 270 HG12 VAL 39 2HG1 VAL 39 10.585 -1.822 -3.471 271 HG13 VAL 39 3HG1 VAL 39 10.950 -0.757 -4.829 272 HG21 VAL 39 1HG2 VAL 39 7.189 -1.105 -5.832 273 HG22 VAL 39 2HG2 VAL 39 7.381 -0.618 -4.148 274 HG23 VAL 39 3HG2 VAL 39 8.266 0.228 -5.417 275 H LYS 40 H LYS 40 8.319 -4.272 -5.594 276 HA LYS 40 HA LYS 40 6.469 -4.233 -7.885 277 HB2 LYS 40 1HB LYS 40 8.138 -5.990 -8.214 278 HB3 LYS 40 2HB LYS 40 7.774 -6.654 -6.627 279 HG2 LYS 40 1HG LYS 40 5.823 -7.605 -7.316 280 HG3 LYS 40 2HG LYS 40 5.542 -6.391 -8.566 281 HD2 LYS 40 1HD LYS 40 6.848 -7.473 -10.101 282 HD3 LYS 40 2HD LYS 40 7.887 -8.194 -8.870 283 HE2 LYS 40 1HE LYS 40 5.017 -9.015 -9.191 284 HE3 LYS 40 2HE LYS 40 6.297 -9.737 -10.165 285 HZ1 LYS 40 1HZ LYS 40 7.200 -9.816 -7.563 286 HZ2 LYS 40 2HZ LYS 40 6.644 -11.120 -8.486 287 HZ3 LYS 40 3HZ LYS 40 5.576 -10.282 -7.477 288 H TRP 41 H TRP 41 4.473 -3.892 -7.188 289 HA TRP 41 HA TRP 41 3.737 -4.572 -4.457 290 HB2 TRP 41 1HB TRP 41 2.441 -2.955 -6.637 291 HB3 TRP 41 2HB TRP 41 1.533 -3.443 -5.209 292 HD1 TRP 41 HD TRP 41 4.565 -1.285 -6.209 293 HE1 TRP 41 1HE TRP 41 4.948 0.470 -4.366 294 HE3 TRP 41 3HE TRP 41 1.103 -2.905 -2.814 295 HZ2 TRP 41 2HZ TRP 41 3.919 1.086 -1.811 296 HZ3 TRP 41 3HZ TRP 41 0.865 -1.677 -0.694 297 HH2 TRP 41 HH TRP 41 2.246 0.276 -0.205 298 H CYS 42 H CYS 42 1.646 -5.638 -4.032 299 HA CYS 42 HA CYS 42 0.568 -7.330 -6.115 300 HB2 CYS 42 1HB CYS 42 0.980 -9.432 -4.890 301 HB3 CYS 42 2HB CYS 42 2.478 -8.662 -5.397 302 HG CYS 42 HG CYS 42 2.473 -7.409 -2.638 303 H TYR 43 H TYR 43 -1.539 -7.722 -5.783 304 HA TYR 43 HA TYR 43 -2.644 -7.681 -3.094 305 HB2 TYR 43 1HB TYR 43 -2.974 -5.414 -3.414 306 HB3 TYR 43 2HB TYR 43 -3.168 -5.580 -5.155 307 HD1 TYR 43 1HD TYR 43 -5.323 -6.533 -6.051 308 HD2 TYR 43 2HD TYR 43 -4.846 -5.403 -1.977 309 HE1 TYR 43 1HE TYR 43 -7.768 -6.466 -5.789 310 HE2 TYR 43 2HE TYR 43 -7.289 -5.334 -1.703 311 HH TYR 43 HH TYR 43 -9.462 -6.187 -4.378 312 H GLY 44 H GLY 44 -4.304 -9.066 -2.881 313 HA2 GLY 44 1HA GLY 44 -5.604 -10.882 -3.496 314 HA3 GLY 44 2HA GLY 44 -6.374 -9.666 -4.505 315 H ASN 45 H ASN 45 -3.088 -10.878 -4.891 316 HA ASN 45 HA ASN 45 -2.079 -12.071 -6.547 317 HB2 ASN 45 1HB ASN 45 -4.033 -13.661 -6.030 318 HB3 ASN 45 2HB ASN 45 -4.791 -12.999 -7.475 319 HD21 ASN 45 1HD2 ASN 45 -1.926 -14.653 -6.280 320 HD22 ASN 45 2HD2 ASN 45 -1.542 -15.448 -7.765 321 H ASN 46 H ASN 46 -2.306 -9.488 -7.079 322 HA ASN 46 HA ASN 46 -2.609 -9.444 -9.962 323 HB2 ASN 46 1HB ASN 46 -4.198 -7.601 -8.164 324 HB3 ASN 46 2HB ASN 46 -4.006 -7.372 -9.899 325 HD21 ASN 46 1HD2 ASN 46 -5.833 -8.793 -7.479 326 HD22 ASN 46 2HD2 ASN 46 -6.807 -9.826 -8.463 327 H VAL 47 H VAL 47 -1.733 -7.451 -10.919 328 HA VAL 47 HA VAL 47 0.483 -6.434 -9.287 329 HB VAL 47 HB VAL 47 0.110 -6.277 -12.282 330 HG11 VAL 47 1HG1 VAL 47 2.711 -5.916 -10.861 331 HG12 VAL 47 2HG1 VAL 47 2.197 -5.312 -12.437 332 HG13 VAL 47 3HG1 VAL 47 1.578 -4.569 -10.962 333 HG21 VAL 47 1HG2 VAL 47 0.612 -8.542 -10.872 334 HG22 VAL 47 2HG2 VAL 47 1.155 -8.254 -12.525 335 HG23 VAL 47 3HG2 VAL 47 2.248 -7.956 -11.173 336 H LEU 48 H LEU 48 0.398 -4.442 -8.501 337 HA LEU 48 HA LEU 48 -1.626 -2.595 -9.512 338 HB2 LEU 48 1HB LEU 48 0.158 -2.267 -7.110 339 HB3 LEU 48 2HB LEU 48 -1.298 -1.352 -7.494 340 HG LEU 48 HG LEU 48 -1.306 -4.299 -6.866 341 HD11 LEU 48 1HD1 LEU 48 -0.625 -3.489 -4.836 342 HD12 LEU 48 2HD1 LEU 48 -2.372 -3.311 -4.682 343 HD13 LEU 48 3HD1 LEU 48 -1.375 -1.913 -5.086 344 HD21 LEU 48 1HD2 LEU 48 -3.205 -2.825 -8.099 345 HD22 LEU 48 2HD2 LEU 48 -3.659 -2.593 -6.410 346 HD23 LEU 48 3HD2 LEU 48 -3.545 -4.222 -7.077 347 H ARG 49 H ARG 49 -1.094 -1.093 -10.940 348 HA ARG 49 HA ARG 49 1.670 -0.071 -10.945 349 HB2 ARG 49 1HB ARG 49 -0.165 -0.576 -13.291 350 HB3 ARG 49 2HB ARG 49 1.353 0.304 -13.403 351 HG2 ARG 49 1HG ARG 49 1.385 -2.421 -12.218 352 HG3 ARG 49 2HG ARG 49 1.203 -2.258 -13.966 353 HD2 ARG 49 1HD ARG 49 3.392 -0.912 -12.398 354 HD3 ARG 49 2HD ARG 49 3.567 -2.509 -13.125 355 HE ARG 49 HE ARG 49 2.685 -0.581 -15.024 356 HH11 ARG 49 2HH1 ARG 49 5.494 -1.738 -13.324 357 HH12 ARG 49 1HH1 ARG 49 6.608 -1.222 -14.546 358 HH21 ARG 49 2HH2 ARG 49 4.141 0.103 -16.641 359 HH22 ARG 49 1HH2 ARG 49 5.837 -0.174 -16.432 360 HA PRO 50 HA PRO 50 0.057 3.983 -10.455 361 HB2 PRO 50 1HB PRO 50 1.894 5.440 -11.823 362 HB3 PRO 50 2HB PRO 50 2.233 4.692 -10.258 363 HG2 PRO 50 1HG PRO 50 2.932 3.734 -13.006 364 HG3 PRO 50 2HG PRO 50 3.926 3.740 -11.537 365 HD2 PRO 50 1HD PRO 50 2.665 1.518 -12.435 366 HD3 PRO 50 2HD PRO 50 2.934 1.832 -10.708 367 H GLY 51 H GLY 51 -1.350 5.359 -11.433 368 HA2 GLY 51 1HA GLY 51 -1.366 6.111 -14.122 369 HA3 GLY 51 2HA GLY 51 -2.402 4.700 -13.971 370 H ASP 52 H ASP 52 -4.469 5.213 -13.809 371 HA ASP 52 HA ASP 52 -5.215 7.816 -12.702 372 HB2 ASP 52 1HB ASP 52 -6.105 7.189 -14.920 373 HB3 ASP 52 2HB ASP 52 -6.900 5.794 -14.195 374 H LYS 53 H LYS 53 -6.471 4.479 -12.534 375 HA LYS 53 HA LYS 53 -8.016 4.902 -10.221 376 HB2 LYS 53 1HB LYS 53 -8.315 3.013 -11.817 377 HB3 LYS 53 2HB LYS 53 -6.833 2.296 -11.197 378 HG2 LYS 53 1HG LYS 53 -8.539 1.165 -10.086 379 HG3 LYS 53 2HG LYS 53 -7.966 2.352 -8.911 380 HD2 LYS 53 1HD LYS 53 -9.835 3.859 -9.804 381 HD3 LYS 53 2HD LYS 53 -10.482 2.398 -10.554 382 HE2 LYS 53 1HE LYS 53 -10.143 1.439 -8.110 383 HE3 LYS 53 2HE LYS 53 -10.284 3.143 -7.681 384 HZ1 LYS 53 1HZ LYS 53 -12.332 1.348 -8.281 385 HZ2 LYS 53 2HZ LYS 53 -12.307 2.503 -9.516 386 HZ3 LYS 53 3HZ LYS 53 -12.466 2.992 -7.904 387 H TYR 54 H TYR 54 -4.753 3.579 -10.655 388 HA TYR 54 HA TYR 54 -4.355 3.827 -7.745 389 HB2 TYR 54 1HB TYR 54 -3.165 1.897 -9.734 390 HB3 TYR 54 2HB TYR 54 -2.477 2.145 -8.133 391 HD1 TYR 54 1HD TYR 54 -4.336 2.013 -6.182 392 HD2 TYR 54 2HD TYR 54 -4.594 0.110 -9.979 393 HE1 TYR 54 1HE TYR 54 -5.913 0.373 -5.247 394 HE2 TYR 54 2HE TYR 54 -6.172 -1.534 -9.055 395 HH TYR 54 HH TYR 54 -7.412 -2.106 -7.290 396 H SER 55 H SER 55 -2.143 4.372 -7.070 397 HA SER 55 HA SER 55 -0.552 5.808 -9.054 398 HB2 SER 55 1HB SER 55 -2.014 7.049 -6.777 399 HB3 SER 55 2HB SER 55 -0.386 7.639 -7.112 400 HG SER 55 HG SER 55 -2.092 8.755 -8.256 401 H LEU 56 H LEU 56 1.607 5.764 -8.660 402 HA LEU 56 HA LEU 56 2.550 4.877 -6.036 403 HB2 LEU 56 1HB LEU 56 3.146 3.534 -8.661 404 HB3 LEU 56 2HB LEU 56 4.145 3.316 -7.226 405 HG LEU 56 HG LEU 56 1.928 2.553 -6.109 406 HD11 LEU 56 1HD1 LEU 56 1.218 2.687 -8.980 407 HD12 LEU 56 2HD1 LEU 56 0.209 2.891 -7.549 408 HD13 LEU 56 3HD1 LEU 56 0.672 1.274 -8.078 409 HD21 LEU 56 1HD2 LEU 56 3.532 0.971 -8.099 410 HD22 LEU 56 2HD2 LEU 56 2.296 0.236 -7.078 411 HD23 LEU 56 3HD2 LEU 56 3.697 1.017 -6.344 412 H ARG 57 H ARG 57 4.226 6.049 -5.373 413 HA ARG 57 HA ARG 57 6.010 7.254 -7.366 414 HB2 ARG 57 1HB ARG 57 4.235 8.888 -6.568 415 HB3 ARG 57 2HB ARG 57 4.987 8.791 -4.981 416 HG2 ARG 57 1HG ARG 57 5.827 10.732 -6.053 417 HG3 ARG 57 2HG ARG 57 7.125 9.537 -6.042 418 HD2 ARG 57 1HD ARG 57 6.635 8.957 -8.352 419 HD3 ARG 57 2HD ARG 57 5.288 10.095 -8.368 420 HE ARG 57 HE ARG 57 7.497 11.575 -7.669 421 HH11 ARG 57 2HH1 ARG 57 6.548 9.586 -10.364 422 HH12 ARG 57 1HH1 ARG 57 7.482 10.478 -11.519 423 HH21 ARG 57 2HH2 ARG 57 8.731 12.757 -9.180 424 HH22 ARG 57 1HH2 ARG 57 8.724 12.281 -10.844 425 H GLN 58 H GLN 58 8.108 7.081 -6.864 426 HA GLN 58 HA GLN 58 8.789 5.998 -4.225 427 HB2 GLN 58 1HB GLN 58 9.454 4.750 -6.303 428 HB3 GLN 58 2HB GLN 58 10.520 6.091 -6.698 429 HG2 GLN 58 1HG GLN 58 12.000 4.709 -5.674 430 HG3 GLN 58 2HG GLN 58 11.444 5.634 -4.280 431 HE21 GLN 58 1HE2 GLN 58 11.863 4.043 -2.796 432 HE22 GLN 58 2HE2 GLN 58 10.966 2.570 -2.711 433 H GLU 59 H GLU 59 9.927 7.138 -2.789 434 HA GLU 59 HA GLU 59 11.335 9.551 -3.715 435 HB2 GLU 59 1HB GLU 59 9.248 10.253 -2.680 436 HB3 GLU 59 2HB GLU 59 9.601 9.289 -1.253 437 HG2 GLU 59 1HG GLU 59 11.363 10.714 -0.604 438 HG3 GLU 59 2HG GLU 59 11.374 11.532 -2.165 439 H GLY 60 H GLY 60 13.244 8.221 -3.670 440 HA2 GLY 60 1HA GLY 60 15.074 7.218 -2.682 441 HA3 GLY 60 2HA GLY 60 14.928 8.569 -1.568 442 H ALA 61 H ALA 61 14.173 5.197 -2.112 443 HA ALA 61 HA ALA 61 13.628 3.493 -0.704 444 HB1 ALA 61 1HB ALA 61 14.856 3.338 1.225 445 HB2 ALA 61 2HB ALA 61 15.757 4.588 0.367 446 HB3 ALA 61 3HB ALA 61 14.624 5.036 1.641 447 H MET 62 H MET 62 11.533 5.219 -1.257 448 HA MET 62 HA MET 62 9.907 4.843 1.128 449 HB2 MET 62 1HB MET 62 10.839 7.185 1.195 450 HB3 MET 62 2HB MET 62 9.949 7.510 -0.287 451 HG2 MET 62 1HG MET 62 7.907 6.657 1.095 452 HG3 MET 62 2HG MET 62 8.932 7.052 2.473 453 HE1 MET 62 1HE MET 62 7.743 10.424 3.120 454 HE2 MET 62 2HE MET 62 6.730 8.980 3.104 455 HE3 MET 62 3HE MET 62 8.403 8.878 3.656 456 H LEU 63 H LEU 63 7.822 4.322 0.676 457 HA LEU 63 HA LEU 63 7.028 4.381 -2.161 458 HB2 LEU 63 1HB LEU 63 6.359 2.367 -0.022 459 HB3 LEU 63 2HB LEU 63 5.624 2.395 -1.624 460 HG LEU 63 HG LEU 63 7.284 0.705 -1.651 461 HD11 LEU 63 1HD1 LEU 63 7.235 2.670 -3.463 462 HD12 LEU 63 2HD1 LEU 63 8.329 1.292 -3.567 463 HD13 LEU 63 3HD1 LEU 63 8.905 2.826 -2.917 464 HD21 LEU 63 1HD2 LEU 63 9.069 0.740 -0.335 465 HD22 LEU 63 2HD2 LEU 63 8.591 2.343 0.226 466 HD23 LEU 63 3HD2 LEU 63 9.685 2.179 -1.149 467 H GLU 64 H GLU 64 4.758 4.640 -2.606 468 HA GLU 64 HA GLU 64 2.997 5.476 -0.480 469 HB2 GLU 64 1HB GLU 64 4.326 7.520 -0.912 470 HB3 GLU 64 2HB GLU 64 3.820 7.473 -2.595 471 HG2 GLU 64 1HG GLU 64 1.417 7.457 -1.482 472 HG3 GLU 64 2HG GLU 64 2.299 8.242 -0.173 473 H LEU 65 H LEU 65 1.279 4.298 -1.023 474 HA LEU 65 HA LEU 65 0.426 4.279 -3.842 475 HB2 LEU 65 1HB LEU 65 1.028 2.081 -2.942 476 HB3 LEU 65 2HB LEU 65 -0.165 2.283 -1.660 477 HG LEU 65 HG LEU 65 -1.806 2.532 -3.723 478 HD11 LEU 65 1HD1 LEU 65 -0.976 0.696 -5.376 479 HD12 LEU 65 2HD1 LEU 65 0.623 1.191 -4.820 480 HD13 LEU 65 3HD1 LEU 65 -0.451 2.368 -5.575 481 HD21 LEU 65 1HD2 LEU 65 -2.361 0.871 -2.252 482 HD22 LEU 65 2HD2 LEU 65 -0.759 0.135 -2.303 483 HD23 LEU 65 3HD2 LEU 65 -1.880 -0.099 -3.645 484 H VAL 66 H VAL 66 -1.466 5.176 -4.353 485 HA VAL 66 HA VAL 66 -3.292 5.901 -2.155 486 HB VAL 66 HB VAL 66 -2.892 7.314 -4.796 487 HG11 VAL 66 1HG1 VAL 66 -4.655 8.047 -2.460 488 HG12 VAL 66 2HG1 VAL 66 -4.436 8.985 -3.939 489 HG13 VAL 66 3HG1 VAL 66 -5.214 7.403 -4.004 490 HG21 VAL 66 1HG2 VAL 66 -2.007 9.146 -3.413 491 HG22 VAL 66 2HG2 VAL 66 -2.149 8.122 -1.984 492 HG23 VAL 66 3HG2 VAL 66 -1.033 7.682 -3.276 493 H VAL 67 H VAL 67 -5.159 4.853 -2.146 494 HA VAL 67 HA VAL 67 -6.189 3.784 -4.693 495 HB VAL 67 HB VAL 67 -6.662 2.721 -1.904 496 HG11 VAL 67 1HG1 VAL 67 -8.539 1.947 -2.878 497 HG12 VAL 67 2HG1 VAL 67 -7.915 2.187 -4.512 498 HG13 VAL 67 3HG1 VAL 67 -7.448 0.758 -3.589 499 HG21 VAL 67 1HG2 VAL 67 -5.462 0.728 -3.332 500 HG22 VAL 67 2HG2 VAL 67 -4.635 2.161 -3.941 501 HG23 VAL 67 3HG2 VAL 67 -4.635 1.812 -2.213 502 H ARG 68 H ARG 68 -7.861 4.905 -5.428 503 HA ARG 68 HA ARG 68 -9.503 6.469 -3.612 504 HB2 ARG 68 1HB ARG 68 -9.351 6.260 -6.614 505 HB3 ARG 68 2HB ARG 68 -10.612 7.177 -5.802 506 HG2 ARG 68 1HG ARG 68 -7.681 7.675 -5.365 507 HG3 ARG 68 2HG ARG 68 -8.635 8.502 -6.599 508 HD2 ARG 68 1HD ARG 68 -10.116 9.388 -4.888 509 HD3 ARG 68 2HD ARG 68 -9.229 8.511 -3.642 510 HE ARG 68 HE ARG 68 -7.671 10.177 -3.649 511 HH11 ARG 68 2HH1 ARG 68 -9.500 10.343 -6.607 512 HH12 ARG 68 1HH1 ARG 68 -8.762 11.819 -7.134 513 HH21 ARG 68 2HH2 ARG 68 -6.692 12.121 -4.332 514 HH22 ARG 68 1HH2 ARG 68 -7.165 12.830 -5.839 515 H ASN 69 H ASN 69 -11.940 6.485 -4.177 516 HA ASN 69 HA ASN 69 -13.935 5.403 -4.029 517 HB2 ASN 69 1HB ASN 69 -13.294 4.800 -6.381 518 HB3 ASN 69 2HB ASN 69 -12.635 3.291 -5.758 519 HD21 ASN 69 1HD2 ASN 69 -14.102 2.136 -7.046 520 HD22 ASN 69 2HD2 ASN 69 -15.765 1.986 -6.601 521 H LEU 70 H LEU 70 -12.596 5.069 -1.792 522 HA LEU 70 HA LEU 70 -11.886 2.479 -1.012 523 HB2 LEU 70 1HB LEU 70 -12.766 4.932 0.440 524 HB3 LEU 70 2HB LEU 70 -12.615 3.414 1.323 525 HG LEU 70 HG LEU 70 -10.387 4.753 -0.210 526 HD11 LEU 70 1HD1 LEU 70 -10.592 6.164 1.574 527 HD12 LEU 70 2HD1 LEU 70 -9.557 4.925 2.283 528 HD13 LEU 70 3HD1 LEU 70 -11.288 4.925 2.619 529 HD21 LEU 70 1HD2 LEU 70 -8.970 3.132 0.995 530 HD22 LEU 70 2HD2 LEU 70 -10.107 2.354 -0.107 531 HD23 LEU 70 3HD2 LEU 70 -10.425 2.362 1.629 532 H ARG 71 H ARG 71 -12.995 0.850 0.078 533 HA ARG 71 HA ARG 71 -15.883 1.093 0.385 534 HB2 ARG 71 1HB ARG 71 -14.635 -1.126 -1.246 535 HB3 ARG 71 2HB ARG 71 -16.344 -0.938 -0.876 536 HG2 ARG 71 1HG ARG 71 -14.773 1.101 -2.426 537 HG3 ARG 71 2HG ARG 71 -15.631 -0.242 -3.183 538 HD2 ARG 71 1HD ARG 71 -17.114 1.474 -1.260 539 HD3 ARG 71 2HD ARG 71 -16.758 2.130 -2.858 540 HE ARG 71 HE ARG 71 -18.618 0.021 -2.215 541 HH11 ARG 71 2HH1 ARG 71 -16.700 1.529 -4.699 542 HH12 ARG 71 1HH1 ARG 71 -17.683 0.939 -5.998 543 HH21 ARG 71 2HH2 ARG 71 -19.919 -0.762 -3.917 544 HH22 ARG 71 1HH2 ARG 71 -19.514 -0.364 -5.552 545 HA PRO 72 HA PRO 72 -15.062 -1.269 4.005 546 HB2 PRO 72 1HB PRO 72 -17.557 -2.232 4.474 547 HB3 PRO 72 2HB PRO 72 -17.109 -0.546 4.760 548 HG2 PRO 72 1HG PRO 72 -18.543 -1.756 2.427 549 HG3 PRO 72 2HG PRO 72 -18.891 -0.250 3.295 550 HD2 PRO 72 1HD PRO 72 -17.584 -0.296 0.924 551 HD3 PRO 72 2HD PRO 72 -17.255 0.923 2.172 552 H GLN 73 H GLN 73 -15.851 -2.620 1.035 553 HA GLN 73 HA GLN 73 -15.704 -5.366 2.071 554 HB2 GLN 73 1HB GLN 73 -16.397 -5.927 -0.345 555 HB3 GLN 73 2HB GLN 73 -17.607 -5.224 0.720 556 HG2 GLN 73 1HG GLN 73 -16.006 -3.365 -0.937 557 HG3 GLN 73 2HG GLN 73 -17.207 -4.364 -1.754 558 HE21 GLN 73 1HE2 GLN 73 -17.810 -1.926 -2.054 559 HE22 GLN 73 2HE2 GLN 73 -19.009 -1.347 -0.953 560 H ASP 74 H ASP 74 -13.667 -3.074 1.066 561 HA ASP 74 HA ASP 74 -12.046 -4.725 -0.704 562 HB2 ASP 74 1HB ASP 74 -11.992 -1.860 0.159 563 HB3 ASP 74 2HB ASP 74 -10.517 -2.592 -0.468 564 H SER 75 H SER 75 -12.115 -3.589 2.594 565 HA SER 75 HA SER 75 -9.602 -3.806 3.529 566 HB2 SER 75 1HB SER 75 -12.070 -5.005 4.806 567 HB3 SER 75 2HB SER 75 -10.545 -4.723 5.646 568 HG SER 75 HG SER 75 -11.970 -2.994 5.979 569 H GLY 76 H GLY 76 -8.162 -5.201 2.646 570 HA2 GLY 76 1HA GLY 76 -8.665 -8.066 3.130 571 HA3 GLY 76 2HA GLY 76 -8.047 -7.521 1.577 572 H ARG 77 H ARG 77 -6.066 -8.456 1.582 573 HA ARG 77 HA ARG 77 -4.252 -7.693 3.776 574 HB2 ARG 77 1HB ARG 77 -4.787 -10.141 3.641 575 HB3 ARG 77 2HB ARG 77 -4.033 -10.163 2.052 576 HG2 ARG 77 1HG ARG 77 -1.909 -9.496 3.031 577 HG3 ARG 77 2HG ARG 77 -2.658 -9.424 4.627 578 HD2 ARG 77 1HD ARG 77 -3.303 -11.877 4.204 579 HD3 ARG 77 2HD ARG 77 -2.104 -11.822 2.913 580 HE ARG 77 HE ARG 77 -0.935 -10.848 5.265 581 HH11 ARG 77 2HH1 ARG 77 -2.154 -13.822 3.927 582 HH12 ARG 77 1HH1 ARG 77 -1.090 -14.827 4.853 583 HH21 ARG 77 2HH2 ARG 77 0.471 -12.162 6.491 584 HH22 ARG 77 1HH2 ARG 77 0.402 -13.882 6.312 585 H TYR 78 H TYR 78 -3.226 -5.950 2.947 586 HA TYR 78 HA TYR 78 -2.241 -6.026 0.201 587 HB2 TYR 78 1HB TYR 78 -2.463 -3.852 2.271 588 HB3 TYR 78 2HB TYR 78 -1.510 -3.633 0.808 589 HD1 TYR 78 2HD TYR 78 -4.924 -4.252 2.086 590 HD2 TYR 78 1HD TYR 78 -2.549 -3.172 -1.276 591 HE1 TYR 78 2HE TYR 78 -6.957 -3.600 0.867 592 HE2 TYR 78 1HE TYR 78 -4.577 -2.516 -2.504 593 HH TYR 78 HH TYR 78 -7.538 -2.040 -1.042 594 H SER 79 H SER 79 -0.393 -7.121 -0.020 595 HA SER 79 HA SER 79 1.754 -6.635 1.941 596 HB2 SER 79 1HB SER 79 2.687 -8.835 1.121 597 HB3 SER 79 2HB SER 79 1.155 -8.957 1.987 598 HG SER 79 HG SER 79 1.661 -9.902 -0.370 599 H CYS 80 H CYS 80 3.938 -6.558 1.116 600 HA CYS 80 HA CYS 80 4.102 -5.763 -1.714 601 HB2 CYS 80 1HB CYS 80 4.204 -3.910 0.173 602 HB3 CYS 80 2HB CYS 80 5.873 -4.454 0.305 603 HG CYS 80 HG CYS 80 5.659 -4.109 -2.803 604 H SER 81 H SER 81 5.429 -7.051 -2.788 605 HA SER 81 HA SER 81 7.377 -8.663 -1.358 606 HB2 SER 81 1HB SER 81 6.706 -8.649 -4.310 607 HB3 SER 81 2HB SER 81 7.641 -9.873 -3.452 608 HG SER 81 HG SER 81 5.532 -9.902 -2.107 609 H PHE 82 H PHE 82 9.439 -8.124 -1.151 610 HA PHE 82 HA PHE 82 10.844 -6.733 -3.260 611 HB2 PHE 82 1HB PHE 82 9.691 -5.027 -1.639 612 HB3 PHE 82 2HB PHE 82 11.007 -5.459 -0.552 613 HD1 PHE 82 1HD PHE 82 10.818 -4.854 -4.230 614 HD2 PHE 82 2HD PHE 82 12.577 -3.790 -0.502 615 HE1 PHE 82 1HE PHE 82 12.288 -3.254 -5.384 616 HE2 PHE 82 2HE PHE 82 14.049 -2.188 -1.650 617 HZ PHE 82 HZ PHE 82 13.906 -1.917 -4.094 618 H GLY 83 H GLY 83 12.552 -8.022 -3.483 619 HA2 GLY 83 1HA GLY 83 14.562 -9.025 -2.955 620 HA3 GLY 83 2HA GLY 83 14.428 -8.335 -1.344 621 H ASP 84 H ASP 84 14.438 -9.830 0.181 622 HA ASP 84 HA ASP 84 13.364 -12.492 -0.434 623 HB2 ASP 84 1HB ASP 84 15.144 -11.643 1.860 624 HB3 ASP 84 2HB ASP 84 14.680 -13.293 1.456 625 H GLN 85 H GLN 85 13.184 -9.869 1.919 626 HA GLN 85 HA GLN 85 11.186 -11.217 3.504 627 HB2 GLN 85 1HB GLN 85 12.092 -8.337 3.629 628 HB3 GLN 85 2HB GLN 85 11.166 -9.196 4.853 629 HG2 GLN 85 1HG GLN 85 14.011 -9.726 4.032 630 HG3 GLN 85 2HG GLN 85 13.451 -9.031 5.553 631 HE21 GLN 85 1HE2 GLN 85 14.779 -11.672 4.409 632 HE22 GLN 85 2HE2 GLN 85 14.043 -12.885 5.394 633 H THR 86 H THR 86 9.065 -10.255 3.933 634 HA THR 86 HA THR 86 7.992 -8.579 1.793 635 HB THR 86 HB THR 86 6.779 -11.251 2.527 636 HG1 THR 86 1HG THR 86 8.196 -10.318 0.248 637 HG21 THR 86 1HG2 THR 86 4.865 -10.314 1.843 638 HG22 THR 86 2HG2 THR 86 5.568 -10.294 0.226 639 HG23 THR 86 3HG2 THR 86 5.693 -8.871 1.260 640 H THR 87 H THR 87 6.624 -7.098 2.557 641 HA THR 87 HA THR 87 5.794 -7.288 5.351 642 HB THR 87 HB THR 87 6.864 -5.207 4.729 643 HG1 THR 87 1HG THR 87 4.829 -5.299 6.103 644 HG21 THR 87 1HG2 THR 87 4.714 -5.062 2.620 645 HG22 THR 87 2HG2 THR 87 6.462 -5.078 2.385 646 HG23 THR 87 3HG2 THR 87 5.683 -3.673 3.113 647 H SER 88 H SER 88 3.616 -6.760 5.987 648 HA SER 88 HA SER 88 1.537 -6.819 3.973 649 HB2 SER 88 1HB SER 88 0.418 -8.805 4.865 650 HB3 SER 88 2HB SER 88 2.039 -9.217 4.305 651 HG SER 88 HG SER 88 2.522 -8.693 6.701 652 H ALA 89 H ALA 89 0.046 -5.413 4.587 653 HA ALA 89 HA ALA 89 -0.476 -5.067 7.466 654 HB1 ALA 89 1HB ALA 89 -1.064 -2.625 6.227 655 HB2 ALA 89 2HB ALA 89 0.264 -2.979 7.333 656 HB3 ALA 89 3HB ALA 89 0.504 -3.125 5.592 657 H THR 90 H THR 90 -2.609 -3.895 7.833 658 HA THR 90 HA THR 90 -4.602 -4.716 5.826 659 HB THR 90 HB THR 90 -4.916 -4.988 8.823 660 HG1 THR 90 1HG THR 90 -4.988 -7.161 7.046 661 HG21 THR 90 1HG2 THR 90 -6.898 -6.461 7.672 662 HG22 THR 90 2HG2 THR 90 -6.792 -5.092 6.565 663 HG23 THR 90 3HG2 THR 90 -7.096 -4.818 8.280 664 H LEU 91 H LEU 91 -6.232 -3.300 5.430 665 HA LEU 91 HA LEU 91 -6.132 -0.747 6.887 666 HB2 LEU 91 1HB LEU 91 -5.645 -0.344 4.629 667 HB3 LEU 91 2HB LEU 91 -6.895 -1.455 4.075 668 HG LEU 91 HG LEU 91 -8.581 0.197 4.999 669 HD11 LEU 91 1HD1 LEU 91 -7.030 2.529 4.741 670 HD12 LEU 91 2HD1 LEU 91 -6.165 1.467 5.851 671 HD13 LEU 91 3HD1 LEU 91 -7.838 1.916 6.184 672 HD21 LEU 91 1HD2 LEU 91 -6.775 1.020 2.728 673 HD22 LEU 91 2HD2 LEU 91 -8.380 1.684 3.037 674 HD23 LEU 91 3HD2 LEU 91 -8.195 -0.021 2.626 675 H THR 92 H THR 92 -7.860 -0.054 7.987 676 HA THR 92 HA THR 92 -10.269 -1.724 7.932 677 HB THR 92 HB THR 92 -9.444 0.356 9.967 678 HG1 THR 92 1HG THR 92 -9.524 -2.403 10.496 679 HG21 THR 92 1HG2 THR 92 -11.722 0.230 10.259 680 HG22 THR 92 2HG2 THR 92 -11.196 -1.097 11.294 681 HG23 THR 92 3HG2 THR 92 -11.814 -1.431 9.677 682 H VAL 93 H VAL 93 -11.837 -1.030 6.638 683 HA VAL 93 HA VAL 93 -12.158 1.851 6.185 684 HB VAL 93 HB VAL 93 -13.352 -0.483 4.682 685 HG11 VAL 93 1HG1 VAL 93 -14.451 0.978 3.306 686 HG12 VAL 93 2HG1 VAL 93 -14.545 1.863 4.830 687 HG13 VAL 93 3HG1 VAL 93 -13.329 2.299 3.628 688 HG21 VAL 93 1HG2 VAL 93 -11.369 -0.584 3.676 689 HG22 VAL 93 2HG2 VAL 93 -11.714 1.006 2.995 690 HG23 VAL 93 3HG2 VAL 93 -10.805 0.870 4.500 691 H THR 94 H THR 94 -13.717 2.916 7.195 692 HA THR 94 HA THR 94 -15.800 1.429 8.593 693 HB THR 94 HB THR 94 -15.374 4.412 8.690 694 HG1 THR 94 1HG THR 94 -13.432 3.205 9.256 695 HG21 THR 94 1HG2 THR 94 -17.438 3.798 9.676 696 HG22 THR 94 2HG2 THR 94 -16.315 4.023 11.017 697 HG23 THR 94 3HG2 THR 94 -16.725 2.397 10.473 698 H ALA 95 H ALA 95 -17.805 1.240 7.847 699 HA ALA 95 HA ALA 95 -18.584 2.414 5.367 700 HB1 ALA 95 1HB ALA 95 -20.066 0.757 7.393 701 HB2 ALA 95 2HB ALA 95 -20.805 1.339 5.901 702 HB3 ALA 95 3HB ALA 95 -19.419 0.250 5.833 703 H LEU 96 H LEU 96 -19.412 4.364 5.049 704 HA LEU 96 HA LEU 96 -19.986 6.173 7.120 705 HB2 LEU 96 1HB LEU 96 -20.335 7.712 5.484 706 HB3 LEU 96 2HB LEU 96 -19.445 6.501 4.564 707 HG LEU 96 HG LEU 96 -21.775 5.619 3.891 708 HD11 LEU 96 1HD1 LEU 96 -22.823 8.336 4.105 709 HD12 LEU 96 2HD1 LEU 96 -22.638 7.518 5.656 710 HD13 LEU 96 3HD1 LEU 96 -23.616 6.785 4.385 711 HD21 LEU 96 1HD2 LEU 96 -21.734 8.049 2.458 712 HD22 LEU 96 2HD2 LEU 96 -21.078 6.485 1.972 713 HD23 LEU 96 3HD2 LEU 96 -20.059 7.640 2.834 714 HA PRO 97 HA PRO 97 -24.110 5.169 8.277 715 HB2 PRO 97 1HB PRO 97 -24.918 7.592 9.199 716 HB3 PRO 97 2HB PRO 97 -23.787 6.557 10.079 717 HG2 PRO 97 1HG PRO 97 -23.224 8.918 8.326 718 HG3 PRO 97 2HG PRO 97 -22.506 8.489 9.890 719 HD2 PRO 97 1HD PRO 97 -21.256 8.016 7.536 720 HD3 PRO 97 2HD PRO 97 -21.059 6.961 8.950 721 H SER 98 H SER 98 -25.060 4.728 6.260 722 HA SER 98 HA SER 98 -26.321 7.015 4.904 723 HB2 SER 98 1HB SER 98 -24.739 5.274 3.708 724 HB3 SER 98 2HB SER 98 -26.202 4.291 3.670 725 HG SER 98 HG SER 98 -26.402 6.950 2.849 726 H GLY 99 H GLY 99 -28.384 7.320 5.398 727 HA2 GLY 99 1HA GLY 99 -30.011 4.968 6.132 728 HA3 GLY 99 2HA GLY 99 -30.302 6.601 6.713 729 HA PRO 100 HA PRO 100 -32.528 5.523 2.573 730 HB2 PRO 100 1HB PRO 100 -34.816 4.372 3.471 731 HB3 PRO 100 2HB PRO 100 -33.380 3.440 3.032 732 HG2 PRO 100 1HG PRO 100 -34.336 4.284 5.741 733 HG3 PRO 100 2HG PRO 100 -33.676 2.721 5.224 734 HD2 PRO 100 1HD PRO 100 -32.194 4.563 6.543 735 HD3 PRO 100 2HD PRO 100 -31.496 3.461 5.339 736 H SER 101 H SER 101 -33.153 7.541 2.082 737 HA SER 101 HA SER 101 -35.277 8.764 3.719 738 HB2 SER 101 1HB SER 101 -34.340 10.961 3.210 739 HB3 SER 101 2HB SER 101 -33.114 9.946 3.971 740 HG SER 101 HG SER 101 -33.041 11.149 1.586 741 H SER 102 H SER 102 -36.770 7.695 2.271 742 HA SER 102 HA SER 102 -36.826 8.107 -0.507 743 HB2 SER 102 1HB SER 102 -39.128 7.320 -0.412 744 HB3 SER 102 2HB SER 102 -38.131 6.354 0.676 745 HG SER 102 HG SER 102 -40.277 7.296 1.422 746 H GLY 103 H GLY 103 -38.305 9.416 -1.758 747 HA2 GLY 103 1HA GLY 103 -38.311 12.137 -0.893 748 HA3 GLY 103 2HA GLY 103 -39.004 11.520 -2.385 Start of MODEL 12 1 H1 GLY 1 H GLY 1 31.746 7.678 10.116 2 HA2 GLY 1 1HA GLY 1 30.343 6.971 12.102 3 HA3 GLY 1 2HA GLY 1 29.427 8.436 11.781 4 H SER 2 H SER 2 27.483 7.533 11.285 5 HA SER 2 HA SER 2 26.996 5.233 9.828 6 HB2 SER 2 1HB SER 2 25.331 7.754 10.016 7 HB3 SER 2 2HB SER 2 24.749 6.226 9.354 8 HG SER 2 HG SER 2 25.883 6.321 11.928 9 H SER 3 H SER 3 27.444 4.692 7.809 10 HA SER 3 HA SER 3 27.058 6.572 5.643 11 HB2 SER 3 1HB SER 3 29.471 6.814 6.586 12 HB3 SER 3 2HB SER 3 29.762 5.265 5.795 13 HG SER 3 HG SER 3 30.128 7.356 4.585 14 H GLY 4 H GLY 4 26.314 5.553 3.884 15 HA2 GLY 4 1HA GLY 4 25.770 3.866 2.420 16 HA3 GLY 4 2HA GLY 4 27.149 2.976 3.048 17 H SER 5 H SER 5 25.338 1.306 2.486 18 HA SER 5 HA SER 5 23.712 0.864 4.903 19 HB2 SER 5 1HB SER 5 22.269 -0.563 3.445 20 HB3 SER 5 2HB SER 5 22.305 1.129 2.949 21 HG SER 5 HG SER 5 23.411 -1.122 1.710 22 H SER 6 H SER 6 25.372 -0.188 6.037 23 HA SER 6 HA SER 6 27.014 -2.220 5.137 24 HB2 SER 6 1HB SER 6 25.788 -1.980 7.895 25 HB3 SER 6 2HB SER 6 27.236 -2.898 7.480 26 HG SER 6 HG SER 6 28.135 -1.056 8.048 27 H GLY 7 H GLY 7 23.695 -2.410 6.331 28 HA2 GLY 7 1HA GLY 7 23.683 -5.301 5.799 29 HA3 GLY 7 2HA GLY 7 22.491 -4.432 6.753 30 HA PRO 8 HA PRO 8 20.919 -5.213 2.392 31 HB2 PRO 8 1HB PRO 8 18.765 -6.699 3.113 32 HB3 PRO 8 2HB PRO 8 20.352 -7.404 2.785 33 HG2 PRO 8 1HG PRO 8 19.081 -6.741 5.413 34 HG3 PRO 8 2HG PRO 8 20.002 -8.183 4.947 35 HD2 PRO 8 1HD PRO 8 21.091 -6.158 6.376 36 HD3 PRO 8 2HD PRO 8 22.033 -7.132 5.229 37 H VAL 9 H VAL 9 18.658 -4.705 1.610 38 HA VAL 9 HA VAL 9 17.788 -2.253 2.842 39 HB VAL 9 HB VAL 9 16.335 -1.974 0.966 40 HG11 VAL 9 1HG1 VAL 9 19.098 -2.461 0.708 41 HG12 VAL 9 2HG1 VAL 9 18.322 -3.153 -0.718 42 HG13 VAL 9 3HG1 VAL 9 18.073 -1.454 -0.313 43 HG21 VAL 9 1HG2 VAL 9 16.515 -4.903 0.835 44 HG22 VAL 9 2HG2 VAL 9 15.191 -3.825 0.393 45 HG23 VAL 9 3HG2 VAL 9 16.528 -4.086 -0.727 46 H ARG 10 H ARG 10 17.391 -4.251 4.659 47 HA ARG 10 HA ARG 10 15.035 -5.642 4.721 48 HB2 ARG 10 1HB ARG 10 16.718 -4.358 6.814 49 HB3 ARG 10 2HB ARG 10 15.123 -4.926 7.287 50 HG2 ARG 10 1HG ARG 10 15.654 -7.132 6.948 51 HG3 ARG 10 2HG ARG 10 16.922 -6.757 5.778 52 HD2 ARG 10 1HD ARG 10 18.084 -7.457 7.681 53 HD3 ARG 10 2HD ARG 10 18.166 -5.697 7.746 54 HE ARG 10 HE ARG 10 15.925 -6.628 9.195 55 HH11 ARG 10 2HH1 ARG 10 19.397 -6.435 9.358 56 HH12 ARG 10 1HH1 ARG 10 19.444 -6.418 11.090 57 HH21 ARG 10 2HH2 ARG 10 15.974 -6.605 11.475 58 HH22 ARG 10 1HH2 ARG 10 17.497 -6.515 12.293 59 H PHE 11 H PHE 11 13.116 -5.091 6.220 60 HA PHE 11 HA PHE 11 11.942 -2.638 5.193 61 HB2 PHE 11 1HB PHE 11 10.911 -5.148 6.414 62 HB3 PHE 11 2HB PHE 11 9.942 -3.693 6.623 63 HD1 PHE 11 2HD PHE 11 9.462 -2.335 4.451 64 HD2 PHE 11 1HD PHE 11 10.639 -6.425 4.518 65 HE1 PHE 11 2HE PHE 11 8.515 -2.641 2.200 66 HE2 PHE 11 1HE PHE 11 9.695 -6.737 2.267 67 HZ PHE 11 HZ PHE 11 8.631 -4.845 1.106 68 H GLN 12 H GLN 12 13.503 -1.387 6.569 69 HA GLN 12 HA GLN 12 13.608 -1.298 9.292 70 HB2 GLN 12 1HB GLN 12 14.797 0.184 7.563 71 HB3 GLN 12 2HB GLN 12 13.389 1.231 7.675 72 HG2 GLN 12 1HG GLN 12 14.866 2.188 9.166 73 HG3 GLN 12 2HG GLN 12 13.840 1.203 10.208 74 HE21 GLN 12 1HE2 GLN 12 16.360 2.074 10.969 75 HE22 GLN 12 2HE2 GLN 12 17.407 0.708 11.110 76 H GLU 13 H GLU 13 11.249 0.455 7.275 77 HA GLU 13 HA GLU 13 9.435 0.478 9.593 78 HB2 GLU 13 1HB GLU 13 10.594 2.724 8.905 79 HB3 GLU 13 2HB GLU 13 9.413 2.716 7.603 80 HG2 GLU 13 1HG GLU 13 8.803 2.641 10.549 81 HG3 GLU 13 2HG GLU 13 8.636 4.035 9.484 82 H ALA 14 H ALA 14 9.019 -1.576 8.137 83 HA ALA 14 HA ALA 14 7.718 -1.456 5.705 84 HB1 ALA 14 1HB ALA 14 8.155 -3.405 7.711 85 HB2 ALA 14 2HB ALA 14 6.448 -3.462 7.271 86 HB3 ALA 14 3HB ALA 14 7.686 -3.649 6.029 87 H LEU 15 H LEU 15 5.323 -2.045 5.397 88 HA LEU 15 HA LEU 15 3.739 0.120 6.096 89 HB2 LEU 15 1HB LEU 15 2.782 -2.656 5.417 90 HB3 LEU 15 2HB LEU 15 1.852 -1.165 5.283 91 HG LEU 15 HG LEU 15 4.371 -1.535 3.703 92 HD11 LEU 15 1HD1 LEU 15 1.623 -2.498 2.924 93 HD12 LEU 15 2HD1 LEU 15 3.031 -3.510 3.244 94 HD13 LEU 15 3HD1 LEU 15 3.026 -2.418 1.859 95 HD21 LEU 15 1HD2 LEU 15 2.822 -0.125 2.133 96 HD22 LEU 15 2HD2 LEU 15 3.671 0.641 3.476 97 HD23 LEU 15 3HD2 LEU 15 1.964 0.224 3.633 98 H LYS 16 H LYS 16 1.786 0.184 7.418 99 HA LYS 16 HA LYS 16 1.748 -1.664 9.685 100 HB2 LYS 16 1HB LYS 16 1.718 0.106 11.321 101 HB3 LYS 16 2HB LYS 16 3.158 0.283 10.327 102 HG2 LYS 16 1HG LYS 16 1.918 1.994 8.988 103 HG3 LYS 16 2HG LYS 16 0.626 1.901 10.188 104 HD2 LYS 16 1HD LYS 16 2.054 2.703 11.910 105 HD3 LYS 16 2HD LYS 16 3.488 2.516 10.897 106 HE2 LYS 16 1HE LYS 16 2.825 4.314 9.488 107 HE3 LYS 16 2HE LYS 16 1.222 4.380 10.220 108 HZ1 LYS 16 1HZ LYS 16 1.970 5.562 11.960 109 HZ2 LYS 16 2HZ LYS 16 3.230 5.983 10.913 110 HZ3 LYS 16 3HZ LYS 16 3.449 4.743 12.043 111 H ASP 17 H ASP 17 -0.232 -1.488 10.974 112 HA ASP 17 HA ASP 17 -2.540 -1.601 9.485 113 HB2 ASP 17 1HB ASP 17 -2.470 -0.720 12.374 114 HB3 ASP 17 2HB ASP 17 -3.760 -1.589 11.546 115 H LEU 18 H LEU 18 -3.532 -0.104 8.321 116 HA LEU 18 HA LEU 18 -3.329 2.708 9.141 117 HB2 LEU 18 1HB LEU 18 -4.045 1.453 6.497 118 HB3 LEU 18 2HB LEU 18 -4.090 3.185 6.817 119 HG LEU 18 HG LEU 18 -1.589 1.520 7.035 120 HD11 LEU 18 1HD1 LEU 18 -1.111 2.875 4.839 121 HD12 LEU 18 2HD1 LEU 18 -2.868 2.842 4.695 122 HD13 LEU 18 3HD1 LEU 18 -1.962 1.331 4.785 123 HD21 LEU 18 1HD2 LEU 18 -2.293 4.334 7.477 124 HD22 LEU 18 2HD2 LEU 18 -0.855 4.076 6.489 125 HD23 LEU 18 3HD2 LEU 18 -0.948 3.385 8.109 126 H GLU 19 H GLU 19 -5.264 4.074 8.714 127 HA GLU 19 HA GLU 19 -7.790 2.611 9.024 128 HB2 GLU 19 1HB GLU 19 -6.579 4.582 10.893 129 HB3 GLU 19 2HB GLU 19 -8.315 4.680 10.631 130 HG2 GLU 19 1HG GLU 19 -8.296 3.259 12.392 131 HG3 GLU 19 2HG GLU 19 -8.167 2.082 11.086 132 H VAL 20 H VAL 20 -9.568 3.560 8.096 133 HA VAL 20 HA VAL 20 -9.477 6.265 7.098 134 HB VAL 20 HB VAL 20 -9.541 3.955 5.152 135 HG11 VAL 20 1HG1 VAL 20 -9.679 5.796 3.439 136 HG12 VAL 20 2HG1 VAL 20 -11.139 5.540 4.396 137 HG13 VAL 20 3HG1 VAL 20 -10.068 6.893 4.763 138 HG21 VAL 20 1HG2 VAL 20 -7.294 4.526 5.867 139 HG22 VAL 20 2HG2 VAL 20 -7.547 5.037 4.199 140 HG23 VAL 20 3HG2 VAL 20 -7.585 6.226 5.500 141 H LEU 21 H LEU 21 -11.517 6.913 6.090 142 HA LEU 21 HA LEU 21 -13.758 5.280 7.080 143 HB2 LEU 21 1HB LEU 21 -13.391 7.551 8.094 144 HB3 LEU 21 2HB LEU 21 -13.774 8.238 6.517 145 HG LEU 21 HG LEU 21 -15.980 6.783 6.865 146 HD11 LEU 21 1HD1 LEU 21 -15.898 7.681 9.625 147 HD12 LEU 21 2HD1 LEU 21 -14.739 6.394 9.294 148 HD13 LEU 21 3HD1 LEU 21 -16.451 6.150 8.947 149 HD21 LEU 21 1HD2 LEU 21 -16.489 8.943 6.478 150 HD22 LEU 21 2HD2 LEU 21 -15.208 9.546 7.531 151 HD23 LEU 21 3HD2 LEU 21 -16.731 8.988 8.224 152 H GLU 22 H GLU 22 -15.306 4.622 5.704 153 HA GLU 22 HA GLU 22 -14.988 4.342 3.037 154 HB2 GLU 22 1HB GLU 22 -16.787 3.185 4.013 155 HB3 GLU 22 2HB GLU 22 -17.502 4.657 4.654 156 HG2 GLU 22 1HG GLU 22 -18.860 3.944 2.855 157 HG3 GLU 22 2HG GLU 22 -17.966 5.358 2.301 158 H GLY 23 H GLY 23 -14.850 5.638 1.330 159 HA2 GLY 23 1HA GLY 23 -15.843 7.376 -0.039 160 HA3 GLY 23 2HA GLY 23 -16.217 8.250 1.439 161 H GLY 24 H GLY 24 -13.128 6.729 1.200 162 HA2 GLY 24 1HA GLY 24 -11.879 9.263 0.381 163 HA3 GLY 24 2HA GLY 24 -11.408 8.530 1.907 164 H ALA 25 H ALA 25 -9.284 8.160 1.353 165 HA ALA 25 HA ALA 25 -8.869 5.923 -0.485 166 HB1 ALA 25 1HB ALA 25 -7.205 8.434 -0.609 167 HB2 ALA 25 2HB ALA 25 -7.013 6.988 -1.600 168 HB3 ALA 25 3HB ALA 25 -8.454 7.990 -1.772 169 H ALA 26 H ALA 26 -6.829 4.824 -0.162 170 HA ALA 26 HA ALA 26 -5.782 5.213 2.565 171 HB1 ALA 26 1HB ALA 26 -5.451 2.896 2.762 172 HB2 ALA 26 2HB ALA 26 -7.042 3.071 2.020 173 HB3 ALA 26 3HB ALA 26 -5.650 2.635 1.029 174 H THR 27 H THR 27 -3.795 6.005 2.647 175 HA THR 27 HA THR 27 -2.013 5.639 0.343 176 HB THR 27 HB THR 27 -1.977 7.646 2.597 177 HG1 THR 27 1HG THR 27 -2.053 8.072 -0.214 178 HG21 THR 27 1HG2 THR 27 -0.035 8.558 1.038 179 HG22 THR 27 2HG2 THR 27 0.155 6.840 0.685 180 HG23 THR 27 3HG2 THR 27 0.286 7.419 2.345 181 H LEU 28 H LEU 28 -0.751 3.902 0.542 182 HA LEU 28 HA LEU 28 0.181 3.052 3.166 183 HB2 LEU 28 1HB LEU 28 0.158 1.846 0.434 184 HB3 LEU 28 2HB LEU 28 1.266 1.220 1.655 185 HG LEU 28 HG LEU 28 -0.945 1.051 3.085 186 HD11 LEU 28 1HD1 LEU 28 -2.407 0.180 0.799 187 HD12 LEU 28 2HD1 LEU 28 -1.947 1.867 0.576 188 HD13 LEU 28 3HD1 LEU 28 -2.852 1.383 2.010 189 HD21 LEU 28 1HD2 LEU 28 -1.226 -1.262 2.216 190 HD22 LEU 28 2HD2 LEU 28 0.446 -0.837 2.582 191 HD23 LEU 28 3HD2 LEU 28 -0.111 -0.862 0.909 192 H ARG 29 H ARG 29 1.867 4.197 3.897 193 HA ARG 29 HA ARG 29 4.122 4.656 2.056 194 HB2 ARG 29 1HB ARG 29 2.787 6.617 3.235 195 HB3 ARG 29 2HB ARG 29 3.838 6.212 4.586 196 HG2 ARG 29 1HG ARG 29 5.033 6.655 1.892 197 HG3 ARG 29 2HG ARG 29 4.533 8.041 2.864 198 HD2 ARG 29 1HD ARG 29 6.403 5.864 3.788 199 HD3 ARG 29 2HD ARG 29 6.911 7.439 3.179 200 HE ARG 29 HE ARG 29 5.990 6.847 5.798 201 HH11 ARG 29 2HH1 ARG 29 5.930 9.307 3.335 202 HH12 ARG 29 1HH1 ARG 29 5.729 10.611 4.458 203 HH21 ARG 29 2HH2 ARG 29 5.725 8.555 7.287 204 HH22 ARG 29 1HH2 ARG 29 5.614 10.182 6.706 205 H CYS 30 H CYS 30 5.911 3.545 2.462 206 HA CYS 30 HA CYS 30 6.551 2.807 5.223 207 HB2 CYS 30 1HB CYS 30 7.207 0.524 4.454 208 HB3 CYS 30 2HB CYS 30 5.478 0.833 4.352 209 HG CYS 30 HG CYS 30 5.214 0.629 1.760 210 H VAL 31 H VAL 31 8.731 2.670 5.683 211 HA VAL 31 HA VAL 31 10.518 3.628 3.547 212 HB VAL 31 HB VAL 31 10.755 3.923 6.543 213 HG11 VAL 31 1HG1 VAL 31 12.962 3.622 5.733 214 HG12 VAL 31 2HG1 VAL 31 12.663 4.655 4.333 215 HG13 VAL 31 3HG1 VAL 31 12.741 5.358 5.949 216 HG21 VAL 31 1HG2 VAL 31 9.147 5.450 5.630 217 HG22 VAL 31 2HG2 VAL 31 10.618 6.350 5.995 218 HG23 VAL 31 3HG2 VAL 31 10.247 5.906 4.330 219 H LEU 32 H LEU 32 12.265 2.467 2.977 220 HA LEU 32 HA LEU 32 12.672 -0.100 4.335 221 HB2 LEU 32 1HB LEU 32 13.761 0.791 1.673 222 HB3 LEU 32 2HB LEU 32 13.759 -0.843 2.331 223 HG LEU 32 HG LEU 32 11.172 0.568 1.810 224 HD11 LEU 32 1HD1 LEU 32 13.133 -0.090 -0.180 225 HD12 LEU 32 2HD1 LEU 32 11.552 0.667 -0.371 226 HD13 LEU 32 3HD1 LEU 32 11.695 -1.091 -0.382 227 HD21 LEU 32 1HD2 LEU 32 12.058 -2.314 1.847 228 HD22 LEU 32 2HD2 LEU 32 10.437 -1.769 1.416 229 HD23 LEU 32 3HD2 LEU 32 11.057 -1.493 3.045 230 H SER 33 H SER 33 14.890 -0.884 4.594 231 HA SER 33 HA SER 33 16.509 0.994 5.941 232 HB2 SER 33 1HB SER 33 16.531 -1.373 6.543 233 HB3 SER 33 2HB SER 33 17.178 -1.791 4.956 234 HG SER 33 HG SER 33 19.042 -1.539 5.887 235 H SER 34 H SER 34 16.192 0.266 2.651 236 HA SER 34 HA SER 34 18.098 2.188 1.854 237 HB2 SER 34 1HB SER 34 18.942 -0.693 1.774 238 HB3 SER 34 2HB SER 34 19.534 0.438 0.557 239 HG SER 34 HG SER 34 19.896 0.531 3.362 240 H VAL 35 H VAL 35 17.790 2.795 -0.244 241 HA VAL 35 HA VAL 35 15.438 1.921 -1.552 242 HB VAL 35 HB VAL 35 16.130 4.179 -1.892 243 HG11 VAL 35 1HG1 VAL 35 18.247 4.819 -2.125 244 HG12 VAL 35 2HG1 VAL 35 18.709 3.126 -1.936 245 HG13 VAL 35 3HG1 VAL 35 18.462 3.800 -3.548 246 HG21 VAL 35 1HG2 VAL 35 15.783 4.373 -4.169 247 HG22 VAL 35 2HG2 VAL 35 16.776 2.966 -4.547 248 HG23 VAL 35 3HG2 VAL 35 15.173 2.751 -3.845 249 H ALA 36 H ALA 36 15.300 -0.072 -2.377 250 HA ALA 36 HA ALA 36 17.521 -1.034 -4.060 251 HB1 ALA 36 1HB ALA 36 15.502 -2.896 -2.890 252 HB2 ALA 36 2HB ALA 36 17.177 -3.199 -3.354 253 HB3 ALA 36 3HB ALA 36 16.819 -2.291 -1.885 254 H ALA 37 H ALA 37 15.030 0.617 -4.660 255 HA ALA 37 HA ALA 37 13.069 -0.693 -6.020 256 HB1 ALA 37 1HB ALA 37 13.919 1.544 -7.611 257 HB2 ALA 37 2HB ALA 37 12.489 1.373 -6.592 258 HB3 ALA 37 3HB ALA 37 14.006 1.941 -5.894 259 HA PRO 38 HA PRO 38 12.111 0.270 -8.227 260 HB2 PRO 38 1HB PRO 38 10.766 -1.436 -9.856 261 HB3 PRO 38 2HB PRO 38 11.786 -0.128 -10.467 262 HG2 PRO 38 1HG PRO 38 12.414 -3.040 -10.175 263 HG3 PRO 38 2HG PRO 38 12.785 -1.945 -11.519 264 HD2 PRO 38 1HD PRO 38 14.622 -2.637 -9.655 265 HD3 PRO 38 2HD PRO 38 14.619 -1.050 -10.449 266 H VAL 39 H VAL 39 9.854 -0.589 -7.735 267 HA VAL 39 HA VAL 39 10.077 -2.802 -5.802 268 HB VAL 39 HB VAL 39 7.913 -0.717 -5.733 269 HG11 VAL 39 1HG1 VAL 39 7.242 -2.229 -4.203 270 HG12 VAL 39 2HG1 VAL 39 8.856 -2.916 -4.018 271 HG13 VAL 39 3HG1 VAL 39 8.430 -1.424 -3.178 272 HG21 VAL 39 1HG2 VAL 39 10.680 -0.227 -5.347 273 HG22 VAL 39 2HG2 VAL 39 9.324 0.869 -5.083 274 HG23 VAL 39 3HG2 VAL 39 9.893 -0.163 -3.771 275 H LYS 40 H LYS 40 8.116 -4.097 -5.479 276 HA LYS 40 HA LYS 40 6.439 -4.258 -7.892 277 HB2 LYS 40 1HB LYS 40 8.293 -6.028 -7.700 278 HB3 LYS 40 2HB LYS 40 7.350 -6.694 -6.374 279 HG2 LYS 40 1HG LYS 40 5.669 -7.419 -7.747 280 HG3 LYS 40 2HG LYS 40 6.000 -6.199 -8.979 281 HD2 LYS 40 1HD LYS 40 7.659 -7.435 -9.951 282 HD3 LYS 40 2HD LYS 40 8.095 -8.239 -8.441 283 HE2 LYS 40 1HE LYS 40 6.237 -9.706 -8.586 284 HE3 LYS 40 2HE LYS 40 5.510 -8.767 -9.889 285 HZ1 LYS 40 1HZ LYS 40 8.114 -9.615 -10.610 286 HZ2 LYS 40 2HZ LYS 40 6.640 -9.931 -11.377 287 HZ3 LYS 40 3HZ LYS 40 7.183 -10.947 -10.138 288 H TRP 41 H TRP 41 4.522 -3.553 -7.162 289 HA TRP 41 HA TRP 41 3.582 -4.278 -4.514 290 HB2 TRP 41 1HB TRP 41 2.661 -2.412 -6.662 291 HB3 TRP 41 2HB TRP 41 1.502 -2.946 -5.447 292 HD1 TRP 41 HD TRP 41 4.630 -0.795 -5.863 293 HE1 TRP 41 1HE TRP 41 4.919 0.659 -3.759 294 HE3 TRP 41 3HE TRP 41 0.991 -2.873 -2.934 295 HZ2 TRP 41 2HZ TRP 41 3.758 0.894 -1.196 296 HZ3 TRP 41 3HZ TRP 41 0.644 -1.976 -0.669 297 HH2 TRP 41 HH TRP 41 2.000 -0.132 0.180 298 H CYS 42 H CYS 42 2.546 -6.118 -4.160 299 HA CYS 42 HA CYS 42 0.941 -7.272 -6.345 300 HB2 CYS 42 1HB CYS 42 2.674 -8.555 -4.260 301 HB3 CYS 42 2HB CYS 42 1.329 -9.450 -4.956 302 HG CYS 42 HG CYS 42 3.500 -10.346 -6.333 303 H TYR 43 H TYR 43 -1.170 -7.192 -6.006 304 HA TYR 43 HA TYR 43 -2.216 -7.667 -3.318 305 HB2 TYR 43 1HB TYR 43 -2.144 -5.268 -3.400 306 HB3 TYR 43 2HB TYR 43 -2.858 -5.246 -5.008 307 HD1 TYR 43 2HD TYR 43 -3.689 -6.641 -1.634 308 HD2 TYR 43 1HD TYR 43 -5.067 -4.613 -5.111 309 HE1 TYR 43 2HE TYR 43 -5.926 -6.452 -0.630 310 HE2 TYR 43 1HE TYR 43 -7.308 -4.418 -4.117 311 HH TYR 43 HH TYR 43 -8.600 -4.899 -2.381 312 H GLY 44 H GLY 44 -3.449 -9.408 -3.600 313 HA2 GLY 44 1HA GLY 44 -4.871 -10.927 -4.602 314 HA3 GLY 44 2HA GLY 44 -5.863 -9.497 -4.846 315 H ASN 45 H ASN 45 -6.045 -8.609 -6.868 316 HA ASN 45 HA ASN 45 -5.791 -10.221 -9.090 317 HB2 ASN 45 1HB ASN 45 -5.613 -7.217 -9.261 318 HB3 ASN 45 2HB ASN 45 -6.359 -8.333 -10.401 319 HD21 ASN 45 1HD2 ASN 45 -8.174 -9.663 -9.416 320 HD22 ASN 45 2HD2 ASN 45 -9.291 -8.802 -8.417 321 H ASN 46 H ASN 46 -4.505 -9.268 -11.137 322 HA ASN 46 HA ASN 46 -1.866 -10.041 -10.854 323 HB2 ASN 46 1HB ASN 46 -1.480 -9.064 -13.057 324 HB3 ASN 46 2HB ASN 46 -3.039 -9.883 -13.022 325 HD21 ASN 46 1HD2 ASN 46 -4.091 -8.759 -14.555 326 HD22 ASN 46 2HD2 ASN 46 -4.426 -7.066 -14.468 327 H VAL 47 H VAL 47 0.057 -8.576 -11.440 328 HA VAL 47 HA VAL 47 0.749 -6.959 -9.380 329 HB VAL 47 HB VAL 47 1.596 -6.834 -12.262 330 HG11 VAL 47 1HG1 VAL 47 2.380 -5.035 -10.004 331 HG12 VAL 47 2HG1 VAL 47 3.540 -5.431 -11.274 332 HG13 VAL 47 3HG1 VAL 47 2.021 -4.632 -11.682 333 HG21 VAL 47 1HG2 VAL 47 3.213 -7.587 -9.844 334 HG22 VAL 47 2HG2 VAL 47 2.201 -8.752 -10.699 335 HG23 VAL 47 3HG2 VAL 47 3.532 -7.957 -11.539 336 H LEU 48 H LEU 48 0.383 -4.927 -8.695 337 HA LEU 48 HA LEU 48 -1.751 -3.435 -9.901 338 HB2 LEU 48 1HB LEU 48 0.066 -2.767 -7.591 339 HB3 LEU 48 2HB LEU 48 -1.360 -1.843 -8.059 340 HG LEU 48 HG LEU 48 -1.357 -4.687 -7.048 341 HD11 LEU 48 1HD1 LEU 48 -1.102 -3.656 -5.074 342 HD12 LEU 48 2HD1 LEU 48 -2.795 -3.211 -5.281 343 HD13 LEU 48 3HD1 LEU 48 -1.524 -2.073 -5.729 344 HD21 LEU 48 1HD2 LEU 48 -3.572 -2.831 -7.894 345 HD22 LEU 48 2HD2 LEU 48 -3.834 -4.268 -6.906 346 HD23 LEU 48 3HD2 LEU 48 -3.186 -4.427 -8.539 347 H ARG 49 H ARG 49 -1.385 -2.305 -11.697 348 HA ARG 49 HA ARG 49 1.190 -0.955 -12.050 349 HB2 ARG 49 1HB ARG 49 -1.060 -1.421 -14.016 350 HB3 ARG 49 2HB ARG 49 0.480 -0.661 -14.393 351 HG2 ARG 49 1HG ARG 49 1.647 -2.730 -13.865 352 HG3 ARG 49 2HG ARG 49 0.114 -3.495 -13.444 353 HD2 ARG 49 1HD ARG 49 -0.534 -2.692 -15.881 354 HD3 ARG 49 2HD ARG 49 1.213 -2.764 -16.108 355 HE ARG 49 HE ARG 49 0.097 -5.132 -14.917 356 HH11 ARG 49 2HH1 ARG 49 0.830 -3.494 -17.900 357 HH12 ARG 49 1HH1 ARG 49 0.898 -4.951 -18.835 358 HH21 ARG 49 2HH2 ARG 49 0.184 -7.057 -16.137 359 HH22 ARG 49 1HH2 ARG 49 0.530 -6.977 -17.832 360 HA PRO 50 HA PRO 50 -0.441 3.033 -11.187 361 HB2 PRO 50 1HB PRO 50 1.174 4.558 -12.747 362 HB3 PRO 50 2HB PRO 50 1.729 3.785 -11.258 363 HG2 PRO 50 1HG PRO 50 2.081 2.901 -14.097 364 HG3 PRO 50 2HG PRO 50 3.257 2.897 -12.770 365 HD2 PRO 50 1HD PRO 50 1.932 0.668 -13.548 366 HD3 PRO 50 2HD PRO 50 2.418 0.951 -11.864 367 H GLY 51 H GLY 51 -1.646 4.773 -12.086 368 HA2 GLY 51 1HA GLY 51 -2.115 5.265 -14.778 369 HA3 GLY 51 2HA GLY 51 -3.280 4.044 -14.289 370 H ASP 52 H ASP 52 -5.155 5.146 -14.270 371 HA ASP 52 HA ASP 52 -5.270 7.764 -12.981 372 HB2 ASP 52 1HB ASP 52 -6.433 7.822 -15.011 373 HB3 ASP 52 2HB ASP 52 -7.133 6.224 -14.764 374 H LYS 53 H LYS 53 -5.505 4.626 -12.041 375 HA LYS 53 HA LYS 53 -7.559 5.179 -10.009 376 HB2 LYS 53 1HB LYS 53 -8.278 3.226 -10.977 377 HB3 LYS 53 2HB LYS 53 -6.650 2.705 -11.392 378 HG2 LYS 53 1HG LYS 53 -7.579 1.244 -9.718 379 HG3 LYS 53 2HG LYS 53 -6.241 2.166 -9.028 380 HD2 LYS 53 1HD LYS 53 -7.880 2.278 -7.377 381 HD3 LYS 53 2HD LYS 53 -8.068 3.807 -8.240 382 HE2 LYS 53 1HE LYS 53 -9.661 1.436 -9.104 383 HE3 LYS 53 2HE LYS 53 -10.154 2.324 -7.662 384 HZ1 LYS 53 1HZ LYS 53 -11.288 3.484 -9.224 385 HZ2 LYS 53 2HZ LYS 53 -10.178 3.162 -10.459 386 HZ3 LYS 53 3HZ LYS 53 -9.834 4.346 -9.301 387 H TYR 54 H TYR 54 -4.443 3.479 -10.359 388 HA TYR 54 HA TYR 54 -3.955 3.847 -7.499 389 HB2 TYR 54 1HB TYR 54 -2.525 2.203 -9.594 390 HB3 TYR 54 2HB TYR 54 -1.993 2.336 -7.921 391 HD1 TYR 54 1HD TYR 54 -3.650 1.602 -6.099 392 HD2 TYR 54 2HD TYR 54 -4.096 0.587 -10.206 393 HE1 TYR 54 1HE TYR 54 -5.142 -0.250 -5.473 394 HE2 TYR 54 2HE TYR 54 -5.590 -1.268 -9.592 395 HH TYR 54 HH TYR 54 -6.889 -2.095 -7.876 396 H SER 55 H SER 55 -1.991 4.748 -6.720 397 HA SER 55 HA SER 55 -0.620 6.514 -8.640 398 HB2 SER 55 1HB SER 55 -2.130 7.832 -7.224 399 HB3 SER 55 2HB SER 55 -1.373 7.162 -5.779 400 HG SER 55 HG SER 55 0.311 8.366 -7.633 401 H LEU 56 H LEU 56 1.282 5.492 -8.911 402 HA LEU 56 HA LEU 56 2.699 4.457 -6.569 403 HB2 LEU 56 1HB LEU 56 3.134 4.126 -9.528 404 HB3 LEU 56 2HB LEU 56 4.270 3.537 -8.316 405 HG LEU 56 HG LEU 56 2.848 1.743 -9.153 406 HD11 LEU 56 1HD1 LEU 56 2.341 0.778 -7.090 407 HD12 LEU 56 2HD1 LEU 56 1.957 2.332 -6.351 408 HD13 LEU 56 3HD1 LEU 56 3.631 1.923 -6.722 409 HD21 LEU 56 1HD2 LEU 56 0.887 3.515 -9.417 410 HD22 LEU 56 2HD2 LEU 56 0.440 2.871 -7.837 411 HD23 LEU 56 3HD2 LEU 56 0.575 1.790 -9.225 412 H ARG 57 H ARG 57 3.936 5.891 -5.553 413 HA ARG 57 HA ARG 57 5.675 7.622 -7.176 414 HB2 ARG 57 1HB ARG 57 3.602 8.689 -5.917 415 HB3 ARG 57 2HB ARG 57 4.687 8.600 -4.536 416 HG2 ARG 57 1HG ARG 57 6.380 9.798 -6.056 417 HG3 ARG 57 2HG ARG 57 4.979 10.181 -7.058 418 HD2 ARG 57 1HD ARG 57 3.923 11.344 -5.258 419 HD3 ARG 57 2HD ARG 57 5.143 10.788 -4.113 420 HE ARG 57 HE ARG 57 6.500 12.495 -4.796 421 HH11 ARG 57 2HH1 ARG 57 4.001 12.019 -7.173 422 HH12 ARG 57 1HH1 ARG 57 4.435 13.418 -8.098 423 HH21 ARG 57 2HH2 ARG 57 7.080 14.339 -6.006 424 HH22 ARG 57 1HH2 ARG 57 6.187 14.737 -7.434 425 H GLN 58 H GLN 58 7.698 6.996 -6.841 426 HA GLN 58 HA GLN 58 8.453 6.007 -4.176 427 HB2 GLN 58 1HB GLN 58 8.735 4.575 -6.317 428 HB3 GLN 58 2HB GLN 58 10.102 5.628 -6.658 429 HG2 GLN 58 1HG GLN 58 9.927 4.333 -3.987 430 HG3 GLN 58 2HG GLN 58 10.410 3.362 -5.377 431 HE21 GLN 58 1HE2 GLN 58 12.500 3.055 -4.728 432 HE22 GLN 58 2HE2 GLN 58 13.669 4.325 -4.661 433 H GLU 59 H GLU 59 10.018 6.993 -3.019 434 HA GLU 59 HA GLU 59 11.577 9.121 -4.311 435 HB2 GLU 59 1HB GLU 59 9.496 9.871 -2.903 436 HB3 GLU 59 2HB GLU 59 10.537 9.517 -1.531 437 HG2 GLU 59 1HG GLU 59 12.239 11.028 -2.822 438 HG3 GLU 59 2HG GLU 59 10.780 11.643 -3.598 439 H GLY 60 H GLY 60 13.256 7.490 -4.292 440 HA2 GLY 60 1HA GLY 60 14.971 6.257 -3.331 441 HA3 GLY 60 2HA GLY 60 15.245 7.785 -2.507 442 H ALA 61 H ALA 61 13.961 4.565 -2.243 443 HA ALA 61 HA ALA 61 13.514 3.247 -0.441 444 HB1 ALA 61 1HB ALA 61 14.336 4.738 1.789 445 HB2 ALA 61 2HB ALA 61 15.219 3.452 0.965 446 HB3 ALA 61 3HB ALA 61 15.463 5.133 0.490 447 H MET 62 H MET 62 11.545 5.104 -1.391 448 HA MET 62 HA MET 62 9.880 5.225 1.007 449 HB2 MET 62 1HB MET 62 10.963 7.482 0.589 450 HB3 MET 62 2HB MET 62 10.029 7.559 -0.899 451 HG2 MET 62 1HG MET 62 8.595 7.020 1.646 452 HG3 MET 62 2HG MET 62 9.171 8.655 1.328 453 HE1 MET 62 1HE MET 62 8.308 10.201 0.219 454 HE2 MET 62 2HE MET 62 7.223 10.172 -1.171 455 HE3 MET 62 3HE MET 62 6.563 10.139 0.465 456 H LEU 63 H LEU 63 8.011 4.256 0.605 457 HA LEU 63 HA LEU 63 7.137 3.978 -2.182 458 HB2 LEU 63 1HB LEU 63 6.508 2.415 0.309 459 HB3 LEU 63 2HB LEU 63 5.622 2.203 -1.200 460 HG LEU 63 HG LEU 63 7.175 0.458 -1.174 461 HD11 LEU 63 1HD1 LEU 63 7.198 2.195 -3.189 462 HD12 LEU 63 2HD1 LEU 63 8.231 0.766 -3.158 463 HD13 LEU 63 3HD1 LEU 63 8.886 2.337 -2.696 464 HD21 LEU 63 1HD2 LEU 63 8.745 0.698 0.423 465 HD22 LEU 63 2HD2 LEU 63 8.892 2.437 0.169 466 HD23 LEU 63 3HD2 LEU 63 9.721 1.315 -0.911 467 H GLU 64 H GLU 64 4.950 4.326 -2.757 468 HA GLU 64 HA GLU 64 3.134 5.505 -0.850 469 HB2 GLU 64 1HB GLU 64 4.766 7.328 -1.762 470 HB3 GLU 64 2HB GLU 64 3.793 7.216 -3.222 471 HG2 GLU 64 1HG GLU 64 1.779 7.638 -1.756 472 HG3 GLU 64 2HG GLU 64 2.919 8.049 -0.475 473 H LEU 65 H LEU 65 1.393 4.326 -1.313 474 HA LEU 65 HA LEU 65 0.531 4.178 -4.125 475 HB2 LEU 65 1HB LEU 65 1.339 2.007 -3.512 476 HB3 LEU 65 2HB LEU 65 0.408 2.033 -2.015 477 HG LEU 65 HG LEU 65 -1.627 2.204 -3.692 478 HD11 LEU 65 1HD1 LEU 65 0.023 2.296 -5.632 479 HD12 LEU 65 2HD1 LEU 65 -1.319 1.161 -5.766 480 HD13 LEU 65 3HD1 LEU 65 0.288 0.578 -5.335 481 HD21 LEU 65 1HD2 LEU 65 -0.644 0.296 -2.064 482 HD22 LEU 65 2HD2 LEU 65 -0.513 -0.524 -3.620 483 HD23 LEU 65 3HD2 LEU 65 -2.076 0.083 -3.071 484 H VAL 66 H VAL 66 -1.193 5.449 -4.303 485 HA VAL 66 HA VAL 66 -3.057 5.692 -2.062 486 HB VAL 66 HB VAL 66 -3.087 7.242 -4.651 487 HG11 VAL 66 1HG1 VAL 66 -5.170 7.172 -3.267 488 HG12 VAL 66 2HG1 VAL 66 -4.261 7.948 -1.968 489 HG13 VAL 66 3HG1 VAL 66 -4.498 8.785 -3.503 490 HG21 VAL 66 1HG2 VAL 66 -2.170 8.915 -2.631 491 HG22 VAL 66 2HG2 VAL 66 -1.272 7.414 -2.405 492 HG23 VAL 66 3HG2 VAL 66 -1.222 8.246 -3.959 493 H VAL 67 H VAL 67 -5.176 5.089 -2.155 494 HA VAL 67 HA VAL 67 -6.126 3.832 -4.641 495 HB VAL 67 HB VAL 67 -6.599 2.713 -1.876 496 HG11 VAL 67 1HG1 VAL 67 -7.899 2.311 -4.388 497 HG12 VAL 67 2HG1 VAL 67 -7.079 0.822 -3.912 498 HG13 VAL 67 3HG1 VAL 67 -8.249 1.572 -2.826 499 HG21 VAL 67 1HG2 VAL 67 -5.150 0.837 -2.668 500 HG22 VAL 67 2HG2 VAL 67 -4.707 1.836 -4.053 501 HG23 VAL 67 3HG2 VAL 67 -4.296 2.360 -2.420 502 H ARG 68 H ARG 68 -7.683 5.189 -5.290 503 HA ARG 68 HA ARG 68 -9.411 6.509 -3.374 504 HB2 ARG 68 1HB ARG 68 -9.528 6.594 -6.392 505 HB3 ARG 68 2HB ARG 68 -10.310 7.704 -5.274 506 HG2 ARG 68 1HG ARG 68 -8.257 8.673 -4.642 507 HG3 ARG 68 2HG ARG 68 -7.328 7.378 -5.400 508 HD2 ARG 68 1HD ARG 68 -7.845 8.135 -7.567 509 HD3 ARG 68 2HD ARG 68 -9.145 9.173 -6.982 510 HE ARG 68 HE ARG 68 -6.680 9.979 -5.865 511 HH11 ARG 68 2HH1 ARG 68 -8.457 10.008 -8.858 512 HH12 ARG 68 1HH1 ARG 68 -7.687 11.441 -9.453 513 HH21 ARG 68 2HH2 ARG 68 -5.659 11.867 -6.637 514 HH22 ARG 68 1HH2 ARG 68 -6.095 12.498 -8.189 515 H ASN 69 H ASN 69 -11.825 6.574 -3.974 516 HA ASN 69 HA ASN 69 -13.815 5.471 -3.987 517 HB2 ASN 69 1HB ASN 69 -12.362 3.827 -6.070 518 HB3 ASN 69 2HB ASN 69 -14.089 3.711 -5.747 519 HD21 ASN 69 1HD2 ASN 69 -14.299 4.279 -8.002 520 HD22 ASN 69 2HD2 ASN 69 -14.245 5.943 -8.466 521 H LEU 70 H LEU 70 -12.499 4.826 -1.806 522 HA LEU 70 HA LEU 70 -11.861 2.097 -1.449 523 HB2 LEU 70 1HB LEU 70 -12.369 4.424 0.318 524 HB3 LEU 70 2HB LEU 70 -12.474 2.819 1.040 525 HG LEU 70 HG LEU 70 -10.050 3.782 -0.465 526 HD11 LEU 70 1HD1 LEU 70 -9.056 4.465 1.551 527 HD12 LEU 70 2HD1 LEU 70 -10.343 3.756 2.524 528 HD13 LEU 70 3HD1 LEU 70 -10.662 5.195 1.556 529 HD21 LEU 70 1HD2 LEU 70 -10.100 1.697 1.671 530 HD22 LEU 70 2HD2 LEU 70 -8.987 1.895 0.317 531 HD23 LEU 70 3HD2 LEU 70 -10.618 1.284 0.036 532 H ARG 71 H ARG 71 -13.087 0.803 0.330 533 HA ARG 71 HA ARG 71 -15.875 1.091 0.606 534 HB2 ARG 71 1HB ARG 71 -16.343 -1.078 -0.801 535 HB3 ARG 71 2HB ARG 71 -16.323 0.501 -1.574 536 HG2 ARG 71 1HG ARG 71 -14.281 0.119 -2.597 537 HG3 ARG 71 2HG ARG 71 -13.840 -1.157 -1.461 538 HD2 ARG 71 1HD ARG 71 -14.396 -2.093 -3.637 539 HD3 ARG 71 2HD ARG 71 -15.565 -2.603 -2.420 540 HE ARG 71 HE ARG 71 -16.348 -0.261 -3.903 541 HH11 ARG 71 2HH1 ARG 71 -16.383 -3.740 -3.785 542 HH12 ARG 71 1HH1 ARG 71 -17.775 -3.891 -4.805 543 HH21 ARG 71 2HH2 ARG 71 -18.182 -0.446 -5.247 544 HH22 ARG 71 1HH2 ARG 71 -18.797 -2.017 -5.637 545 HA PRO 72 HA PRO 72 -15.012 -1.828 3.778 546 HB2 PRO 72 1HB PRO 72 -17.527 -2.711 4.293 547 HB3 PRO 72 2HB PRO 72 -16.955 -1.109 4.772 548 HG2 PRO 72 1HG PRO 72 -18.612 -1.900 2.408 549 HG3 PRO 72 2HG PRO 72 -18.806 -0.514 3.496 550 HD2 PRO 72 1HD PRO 72 -17.662 -0.297 1.052 551 HD3 PRO 72 2HD PRO 72 -17.175 0.715 2.427 552 H GLN 73 H GLN 73 -16.137 -2.708 0.724 553 HA GLN 73 HA GLN 73 -16.389 -5.541 1.286 554 HB2 GLN 73 1HB GLN 73 -16.584 -3.909 -1.241 555 HB3 GLN 73 2HB GLN 73 -16.645 -5.666 -1.246 556 HG2 GLN 73 1HG GLN 73 -18.644 -3.697 -0.302 557 HG3 GLN 73 2HG GLN 73 -18.865 -5.205 -1.188 558 HE21 GLN 73 1HE2 GLN 73 -18.414 -7.205 0.067 559 HE22 GLN 73 2HE2 GLN 73 -18.906 -7.240 1.722 560 H ASP 74 H ASP 74 -13.930 -3.337 0.441 561 HA ASP 74 HA ASP 74 -12.221 -5.363 -0.763 562 HB2 ASP 74 1HB ASP 74 -12.107 -2.403 -0.440 563 HB3 ASP 74 2HB ASP 74 -10.582 -3.271 -0.599 564 H SER 75 H SER 75 -13.064 -4.521 2.300 565 HA SER 75 HA SER 75 -10.945 -4.162 3.895 566 HB2 SER 75 1HB SER 75 -13.180 -6.162 4.239 567 HB3 SER 75 2HB SER 75 -12.008 -5.821 5.511 568 HG SER 75 HG SER 75 -12.987 -4.003 5.905 569 H GLY 76 H GLY 76 -8.935 -4.893 3.585 570 HA2 GLY 76 1HA GLY 76 -8.358 -7.670 3.982 571 HA3 GLY 76 2HA GLY 76 -8.098 -7.178 2.316 572 H ARG 77 H ARG 77 -5.886 -7.992 3.118 573 HA ARG 77 HA ARG 77 -4.405 -5.730 4.290 574 HB2 ARG 77 1HB ARG 77 -2.995 -7.182 5.389 575 HB3 ARG 77 2HB ARG 77 -4.495 -8.099 5.427 576 HG2 ARG 77 1HG ARG 77 -2.351 -8.471 3.350 577 HG3 ARG 77 2HG ARG 77 -2.482 -9.429 4.826 578 HD2 ARG 77 1HD ARG 77 -4.495 -9.239 2.590 579 HD3 ARG 77 2HD ARG 77 -3.507 -10.636 3.016 580 HE ARG 77 HE ARG 77 -4.896 -10.168 5.282 581 HH11 ARG 77 2HH1 ARG 77 -5.839 -10.532 1.950 582 HH12 ARG 77 1HH1 ARG 77 -7.392 -11.200 2.327 583 HH21 ARG 77 2HH2 ARG 77 -6.938 -11.047 5.790 584 HH22 ARG 77 1HH2 ARG 77 -8.017 -11.492 4.512 585 H TYR 78 H TYR 78 -2.638 -4.936 3.242 586 HA TYR 78 HA TYR 78 -2.176 -5.974 0.532 587 HB2 TYR 78 1HB TYR 78 -1.606 -3.251 1.718 588 HB3 TYR 78 2HB TYR 78 -1.192 -3.731 0.076 589 HD1 TYR 78 2HD TYR 78 -4.199 -3.792 2.306 590 HD2 TYR 78 1HD TYR 78 -2.630 -3.023 -1.573 591 HE1 TYR 78 2HE TYR 78 -6.433 -3.099 1.546 592 HE2 TYR 78 1HE TYR 78 -4.859 -2.326 -2.344 593 HH TYR 78 HH TYR 78 -7.134 -1.337 -0.736 594 H SER 79 H SER 79 -0.304 -6.907 0.038 595 HA SER 79 HA SER 79 1.923 -6.648 1.949 596 HB2 SER 79 1HB SER 79 1.093 -8.925 1.854 597 HB3 SER 79 2HB SER 79 1.211 -8.931 0.094 598 HG SER 79 HG SER 79 3.493 -8.654 0.360 599 H CYS 80 H CYS 80 3.888 -6.009 1.248 600 HA CYS 80 HA CYS 80 4.163 -5.446 -1.631 601 HB2 CYS 80 1HB CYS 80 4.058 -3.391 -0.337 602 HB3 CYS 80 2HB CYS 80 5.333 -3.964 0.731 603 HG CYS 80 HG CYS 80 5.557 -2.494 -2.257 604 H SER 81 H SER 81 5.650 -6.598 -2.651 605 HA SER 81 HA SER 81 7.564 -8.164 -1.138 606 HB2 SER 81 1HB SER 81 8.127 -9.148 -3.354 607 HB3 SER 81 2HB SER 81 6.407 -9.252 -2.979 608 HG SER 81 HG SER 81 7.271 -7.000 -4.367 609 H PHE 82 H PHE 82 9.761 -7.942 -1.163 610 HA PHE 82 HA PHE 82 11.124 -6.145 -2.917 611 HB2 PHE 82 1HB PHE 82 9.947 -4.750 -1.001 612 HB3 PHE 82 2HB PHE 82 11.335 -5.290 -0.063 613 HD1 PHE 82 1HD PHE 82 10.961 -4.182 -3.604 614 HD2 PHE 82 2HD PHE 82 12.811 -3.549 0.177 615 HE1 PHE 82 1HE PHE 82 12.313 -2.369 -4.573 616 HE2 PHE 82 2HE PHE 82 14.165 -1.734 -0.786 617 HZ PHE 82 HZ PHE 82 13.917 -1.142 -3.163 618 H GLY 83 H GLY 83 12.774 -7.475 -3.342 619 HA2 GLY 83 1HA GLY 83 14.765 -8.582 -2.996 620 HA3 GLY 83 2HA GLY 83 14.724 -8.023 -1.330 621 H ASP 84 H ASP 84 14.274 -9.449 0.234 622 HA ASP 84 HA ASP 84 13.218 -12.078 -0.581 623 HB2 ASP 84 1HB ASP 84 15.648 -12.101 0.025 624 HB3 ASP 84 2HB ASP 84 15.202 -11.568 1.643 625 H GLN 85 H GLN 85 13.173 -9.477 1.725 626 HA GLN 85 HA GLN 85 11.338 -10.876 3.495 627 HB2 GLN 85 1HB GLN 85 12.710 -8.205 3.583 628 HB3 GLN 85 2HB GLN 85 11.379 -8.571 4.673 629 HG2 GLN 85 1HG GLN 85 13.702 -10.434 4.474 630 HG3 GLN 85 2HG GLN 85 13.822 -8.963 5.437 631 HE21 GLN 85 1HE2 GLN 85 11.554 -8.688 6.699 632 HE22 GLN 85 2HE2 GLN 85 11.171 -10.061 7.674 633 H THR 86 H THR 86 9.247 -10.041 4.029 634 HA THR 86 HA THR 86 8.071 -8.156 2.128 635 HB THR 86 HB THR 86 6.816 -10.852 2.674 636 HG1 THR 86 1HG THR 86 7.303 -11.000 0.283 637 HG21 THR 86 1HG2 THR 86 5.449 -10.056 0.619 638 HG22 THR 86 2HG2 THR 86 6.013 -8.448 1.073 639 HG23 THR 86 3HG2 THR 86 5.058 -9.401 2.208 640 H THR 87 H THR 87 6.243 -7.081 2.884 641 HA THR 87 HA THR 87 5.482 -7.629 5.676 642 HB THR 87 HB THR 87 6.979 -5.671 5.606 643 HG1 THR 87 1HG THR 87 4.470 -4.542 6.109 644 HG21 THR 87 1HG2 THR 87 6.043 -5.049 3.231 645 HG22 THR 87 2HG2 THR 87 6.611 -3.789 4.327 646 HG23 THR 87 3HG2 THR 87 4.883 -4.106 4.166 647 H SER 88 H SER 88 3.342 -7.250 6.227 648 HA SER 88 HA SER 88 1.532 -6.376 4.091 649 HB2 SER 88 1HB SER 88 -0.026 -8.246 4.695 650 HB3 SER 88 2HB SER 88 1.475 -8.784 3.942 651 HG SER 88 HG SER 88 2.242 -9.103 6.162 652 H ALA 89 H ALA 89 -0.281 -5.297 4.774 653 HA ALA 89 HA ALA 89 -0.757 -5.085 7.660 654 HB1 ALA 89 1HB ALA 89 -1.204 -2.517 6.847 655 HB2 ALA 89 2HB ALA 89 0.256 -3.088 7.657 656 HB3 ALA 89 3HB ALA 89 0.214 -2.963 5.898 657 H THR 90 H THR 90 -2.872 -4.738 8.244 658 HA THR 90 HA THR 90 -4.843 -5.259 6.184 659 HB THR 90 HB THR 90 -5.062 -5.038 9.187 660 HG1 THR 90 1HG THR 90 -5.730 -7.336 8.725 661 HG21 THR 90 1HG2 THR 90 -7.136 -4.217 8.240 662 HG22 THR 90 2HG2 THR 90 -7.390 -5.833 8.901 663 HG23 THR 90 3HG2 THR 90 -7.226 -5.608 7.160 664 H LEU 91 H LEU 91 -6.586 -3.936 5.666 665 HA LEU 91 HA LEU 91 -6.227 -1.107 6.381 666 HB2 LEU 91 1HB LEU 91 -6.012 -1.497 4.026 667 HB3 LEU 91 2HB LEU 91 -7.520 -2.409 3.993 668 HG LEU 91 HG LEU 91 -8.802 -0.408 4.359 669 HD11 LEU 91 1HD1 LEU 91 -6.124 0.925 4.686 670 HD12 LEU 91 2HD1 LEU 91 -7.434 0.820 5.862 671 HD13 LEU 91 3HD1 LEU 91 -7.627 1.808 4.414 672 HD21 LEU 91 1HD2 LEU 91 -8.721 -0.083 2.167 673 HD22 LEU 91 2HD2 LEU 91 -7.135 -0.851 2.101 674 HD23 LEU 91 3HD2 LEU 91 -7.262 0.889 2.362 675 H THR 92 H THR 92 -7.719 -0.123 7.574 676 HA THR 92 HA THR 92 -10.201 -1.558 8.171 677 HB THR 92 HB THR 92 -9.043 0.868 9.556 678 HG1 THR 92 1HG THR 92 -9.049 -1.821 10.484 679 HG21 THR 92 1HG2 THR 92 -11.597 -0.408 9.706 680 HG22 THR 92 2HG2 THR 92 -10.998 0.979 10.617 681 HG23 THR 92 3HG2 THR 92 -10.740 -0.655 11.227 682 H VAL 93 H VAL 93 -11.937 -1.037 7.027 683 HA VAL 93 HA VAL 93 -12.260 1.760 6.150 684 HB VAL 93 HB VAL 93 -13.368 -0.715 4.817 685 HG11 VAL 93 1HG1 VAL 93 -14.199 1.972 4.692 686 HG12 VAL 93 2HG1 VAL 93 -13.354 1.632 3.181 687 HG13 VAL 93 3HG1 VAL 93 -14.718 0.628 3.675 688 HG21 VAL 93 1HG2 VAL 93 -11.312 1.101 3.622 689 HG22 VAL 93 2HG2 VAL 93 -10.827 -0.204 4.704 690 HG23 VAL 93 3HG2 VAL 93 -11.698 -0.571 3.215 691 H THR 94 H THR 94 -13.662 2.721 7.474 692 HA THR 94 HA THR 94 -15.782 1.253 8.772 693 HB THR 94 HB THR 94 -15.354 4.243 8.795 694 HG1 THR 94 1HG THR 94 -13.843 3.953 10.294 695 HG21 THR 94 1HG2 THR 94 -17.151 2.375 10.165 696 HG22 THR 94 2HG2 THR 94 -17.297 4.115 9.920 697 HG23 THR 94 3HG2 THR 94 -16.312 3.491 11.242 698 H ALA 95 H ALA 95 -17.959 1.404 8.394 699 HA ALA 95 HA ALA 95 -18.735 2.277 5.749 700 HB1 ALA 95 1HB ALA 95 -19.714 0.249 6.304 701 HB2 ALA 95 2HB ALA 95 -20.098 0.768 7.945 702 HB3 ALA 95 3HB ALA 95 -21.018 1.403 6.582 703 H LEU 96 H LEU 96 -19.226 4.335 5.387 704 HA LEU 96 HA LEU 96 -19.706 6.304 7.260 705 HB2 LEU 96 1HB LEU 96 -20.091 7.700 5.508 706 HB3 LEU 96 2HB LEU 96 -19.322 6.363 4.655 707 HG LEU 96 HG LEU 96 -21.728 5.548 4.211 708 HD11 LEU 96 1HD1 LEU 96 -22.379 7.652 5.841 709 HD12 LEU 96 2HD1 LEU 96 -23.476 6.836 4.727 710 HD13 LEU 96 3HD1 LEU 96 -22.652 8.314 4.229 711 HD21 LEU 96 1HD2 LEU 96 -21.091 6.199 2.188 712 HD22 LEU 96 2HD2 LEU 96 -20.010 7.411 2.876 713 HD23 LEU 96 3HD2 LEU 96 -21.696 7.816 2.550 714 HA PRO 97 HA PRO 97 -23.787 5.638 8.762 715 HB2 PRO 97 1HB PRO 97 -24.413 8.176 9.496 716 HB3 PRO 97 2HB PRO 97 -23.276 7.167 10.399 717 HG2 PRO 97 1HG PRO 97 -22.719 9.321 8.397 718 HG3 PRO 97 2HG PRO 97 -21.920 9.001 9.947 719 HD2 PRO 97 1HD PRO 97 -20.855 8.244 7.575 720 HD3 PRO 97 2HD PRO 97 -20.615 7.315 9.069 721 H SER 98 H SER 98 -25.153 5.088 7.125 722 HA SER 98 HA SER 98 -26.034 7.136 5.239 723 HB2 SER 98 1HB SER 98 -26.635 4.170 5.331 724 HB3 SER 98 2HB SER 98 -27.112 5.273 4.041 725 HG SER 98 HG SER 98 -25.047 5.448 3.401 726 H GLY 99 H GLY 99 -27.387 4.891 7.633 727 HA2 GLY 99 1HA GLY 99 -30.075 5.408 7.374 728 HA3 GLY 99 2HA GLY 99 -29.296 5.046 8.907 729 HA PRO 100 HA PRO 100 -30.743 9.621 8.432 730 HB2 PRO 100 1HB PRO 100 -33.325 9.462 9.255 731 HB3 PRO 100 2HB PRO 100 -32.850 9.354 7.556 732 HG2 PRO 100 1HG PRO 100 -33.514 7.159 9.480 733 HG3 PRO 100 2HG PRO 100 -33.998 7.345 7.784 734 HD2 PRO 100 1HD PRO 100 -31.977 5.715 8.553 735 HD3 PRO 100 2HD PRO 100 -31.981 6.561 6.992 736 H SER 101 H SER 101 -30.657 7.115 10.684 737 HA SER 101 HA SER 101 -31.622 7.878 13.046 738 HB2 SER 101 1HB SER 101 -29.997 5.971 12.579 739 HB3 SER 101 2HB SER 101 -28.702 7.142 12.827 740 HG SER 101 HG SER 101 -29.056 7.091 14.904 741 H SER 102 H SER 102 -31.692 9.683 14.193 742 HA SER 102 HA SER 102 -29.529 11.653 13.849 743 HB2 SER 102 1HB SER 102 -31.765 12.403 13.071 744 HB3 SER 102 2HB SER 102 -32.391 12.156 14.701 745 HG SER 102 HG SER 102 -31.541 13.987 15.277 746 H GLY 103 H GLY 103 -29.778 13.284 15.913 747 HA2 GLY 103 1HA GLY 103 -28.535 12.023 18.035 748 HA3 GLY 103 2HA GLY 103 -29.376 13.562 18.158 Start of MODEL 13 1 H1 GLY 1 H GLY 1 28.411 -4.564 -5.338 2 HA2 GLY 1 1HA GLY 1 30.204 -3.240 -5.897 3 HA3 GLY 1 2HA GLY 1 29.022 -1.941 -5.961 4 H SER 2 H SER 2 31.239 -0.934 -5.292 5 HA SER 2 HA SER 2 32.070 -1.214 -2.593 6 HB2 SER 2 1HB SER 2 33.457 -0.296 -4.507 7 HB3 SER 2 2HB SER 2 32.530 1.197 -4.357 8 HG SER 2 HG SER 2 34.085 1.631 -2.981 9 H SER 3 H SER 3 32.093 0.695 -1.064 10 HA SER 3 HA SER 3 30.732 1.773 0.456 11 HB2 SER 3 1HB SER 3 30.644 3.315 -2.114 12 HB3 SER 3 2HB SER 3 29.713 3.881 -0.728 13 HG SER 3 HG SER 3 31.839 4.771 -0.816 14 H GLY 4 H GLY 4 29.372 -0.438 -0.188 15 HA2 GLY 4 1HA GLY 4 26.622 0.474 -0.034 16 HA3 GLY 4 2HA GLY 4 26.999 -0.505 -1.444 17 H SER 5 H SER 5 26.026 -0.547 1.769 18 HA SER 5 HA SER 5 27.047 -2.778 2.937 19 HB2 SER 5 1HB SER 5 25.110 -1.177 3.683 20 HB3 SER 5 2HB SER 5 24.070 -2.414 2.977 21 HG SER 5 HG SER 5 24.697 -3.831 4.481 22 H SER 6 H SER 6 27.170 -4.872 2.477 23 HA SER 6 HA SER 6 25.776 -5.891 0.141 24 HB2 SER 6 1HB SER 6 27.239 -7.825 0.342 25 HB3 SER 6 2HB SER 6 28.196 -6.349 0.475 26 HG SER 6 HG SER 6 28.196 -6.631 2.732 27 H GLY 7 H GLY 7 23.809 -6.719 0.362 28 HA2 GLY 7 1HA GLY 7 22.994 -8.929 1.596 29 HA3 GLY 7 2HA GLY 7 22.952 -7.790 2.934 30 HA PRO 8 HA PRO 8 18.964 -7.720 0.377 31 HB2 PRO 8 1HB PRO 8 17.334 -8.842 2.236 32 HB3 PRO 8 2HB PRO 8 18.202 -9.790 1.021 33 HG2 PRO 8 1HG PRO 8 18.897 -9.297 3.891 34 HG3 PRO 8 2HG PRO 8 18.983 -10.805 2.962 35 HD2 PRO 8 1HD PRO 8 21.162 -9.278 3.466 36 HD3 PRO 8 2HD PRO 8 20.988 -10.232 1.979 37 H VAL 9 H VAL 9 17.321 -6.216 0.679 38 HA VAL 9 HA VAL 9 17.848 -4.178 2.631 39 HB VAL 9 HB VAL 9 15.580 -4.416 0.648 40 HG11 VAL 9 1HG1 VAL 9 16.450 -1.802 1.734 41 HG12 VAL 9 2HG1 VAL 9 14.845 -2.353 1.248 42 HG13 VAL 9 3HG1 VAL 9 15.515 -2.847 2.803 43 HG21 VAL 9 1HG2 VAL 9 17.020 -3.785 -0.919 44 HG22 VAL 9 2HG2 VAL 9 17.461 -2.364 0.028 45 HG23 VAL 9 3HG2 VAL 9 18.329 -3.882 0.259 46 H ARG 10 H ARG 10 17.216 -4.376 4.673 47 HA ARG 10 HA ARG 10 15.036 -6.086 5.439 48 HB2 ARG 10 1HB ARG 10 16.893 -4.270 6.964 49 HB3 ARG 10 2HB ARG 10 15.556 -5.102 7.747 50 HG2 ARG 10 1HG ARG 10 17.615 -6.585 6.150 51 HG3 ARG 10 2HG ARG 10 17.858 -6.188 7.853 52 HD2 ARG 10 1HD ARG 10 15.340 -7.540 6.977 53 HD3 ARG 10 2HD ARG 10 16.816 -8.482 7.181 54 HE ARG 10 HE ARG 10 16.672 -7.145 9.504 55 HH11 ARG 10 2HH1 ARG 10 14.326 -9.010 7.732 56 HH12 ARG 10 1HH1 ARG 10 13.470 -9.522 9.148 57 HH21 ARG 10 2HH2 ARG 10 15.554 -7.813 11.376 58 HH22 ARG 10 1HH2 ARG 10 14.169 -8.840 11.221 59 H PHE 11 H PHE 11 12.992 -5.542 5.931 60 HA PHE 11 HA PHE 11 12.030 -2.954 5.194 61 HB2 PHE 11 1HB PHE 11 10.820 -5.507 6.127 62 HB3 PHE 11 2HB PHE 11 9.871 -4.039 6.338 63 HD1 PHE 11 2HD PHE 11 9.757 -2.502 4.192 64 HD2 PHE 11 1HD PHE 11 10.604 -6.673 4.165 65 HE1 PHE 11 2HE PHE 11 9.038 -2.629 1.842 66 HE2 PHE 11 1HE PHE 11 9.887 -6.807 1.815 67 HZ PHE 11 HZ PHE 11 9.101 -4.784 0.651 68 H GLN 12 H GLN 12 12.978 -1.464 6.587 69 HA GLN 12 HA GLN 12 13.006 -1.666 9.392 70 HB2 GLN 12 1HB GLN 12 14.466 -0.124 8.202 71 HB3 GLN 12 2HB GLN 12 13.075 0.785 7.625 72 HG2 GLN 12 1HG GLN 12 13.890 2.056 9.386 73 HG3 GLN 12 2HG GLN 12 12.534 1.175 10.089 74 HE21 GLN 12 1HE2 GLN 12 13.135 1.009 12.160 75 HE22 GLN 12 2HE2 GLN 12 14.586 0.250 12.710 76 H GLU 13 H GLU 13 10.805 0.105 7.224 77 HA GLU 13 HA GLU 13 8.772 -0.012 9.345 78 HB2 GLU 13 1HB GLU 13 9.975 2.290 8.905 79 HB3 GLU 13 2HB GLU 13 8.884 2.359 7.528 80 HG2 GLU 13 1HG GLU 13 7.715 3.484 9.164 81 HG3 GLU 13 2HG GLU 13 7.036 1.860 9.251 82 H ALA 14 H ALA 14 8.395 -1.958 7.847 83 HA ALA 14 HA ALA 14 7.394 -1.676 5.256 84 HB1 ALA 14 1HB ALA 14 7.236 -3.889 5.375 85 HB2 ALA 14 2HB ALA 14 7.779 -3.770 7.050 86 HB3 ALA 14 3HB ALA 14 6.054 -3.796 6.681 87 H LEU 15 H LEU 15 5.046 -2.277 4.687 88 HA LEU 15 HA LEU 15 3.340 -0.243 5.112 89 HB2 LEU 15 1HB LEU 15 2.541 -3.143 4.909 90 HB3 LEU 15 2HB LEU 15 1.479 -1.767 4.615 91 HG LEU 15 HG LEU 15 3.959 -2.300 2.991 92 HD11 LEU 15 1HD1 LEU 15 2.087 -4.120 3.004 93 HD12 LEU 15 2HD1 LEU 15 2.779 -3.565 1.480 94 HD13 LEU 15 3HD1 LEU 15 1.216 -2.948 2.015 95 HD21 LEU 15 1HD2 LEU 15 1.500 -0.635 2.460 96 HD22 LEU 15 2HD2 LEU 15 2.888 -0.818 1.388 97 HD23 LEU 15 3HD2 LEU 15 3.077 -0.012 2.946 98 H LYS 16 H LYS 16 1.665 0.298 6.516 99 HA LYS 16 HA LYS 16 1.600 -1.173 9.067 100 HB2 LYS 16 1HB LYS 16 1.382 0.955 10.256 101 HB3 LYS 16 2HB LYS 16 2.889 0.889 9.352 102 HG2 LYS 16 1HG LYS 16 1.533 2.125 7.513 103 HG3 LYS 16 2HG LYS 16 0.448 2.529 8.845 104 HD2 LYS 16 1HD LYS 16 3.388 2.970 9.150 105 HD3 LYS 16 2HD LYS 16 2.426 4.124 8.223 106 HE2 LYS 16 1HE LYS 16 1.637 3.257 10.989 107 HE3 LYS 16 2HE LYS 16 2.764 4.585 10.718 108 HZ1 LYS 16 1HZ LYS 16 0.914 5.463 9.177 109 HZ2 LYS 16 2HZ LYS 16 0.742 5.650 10.848 110 HZ3 LYS 16 3HZ LYS 16 -0.097 4.421 10.044 111 H ASP 17 H ASP 17 -0.382 -0.604 10.377 112 HA ASP 17 HA ASP 17 -2.698 -0.875 8.670 113 HB2 ASP 17 1HB ASP 17 -2.724 -0.684 11.678 114 HB3 ASP 17 2HB ASP 17 -3.895 -1.474 10.624 115 H LEU 18 H LEU 18 -3.928 0.748 8.007 116 HA LEU 18 HA LEU 18 -3.822 3.288 9.495 117 HB2 LEU 18 1HB LEU 18 -4.530 2.921 6.592 118 HB3 LEU 18 2HB LEU 18 -4.258 4.441 7.442 119 HG LEU 18 HG LEU 18 -1.856 3.370 7.809 120 HD11 LEU 18 1HD1 LEU 18 -2.484 2.293 5.091 121 HD12 LEU 18 2HD1 LEU 18 -2.734 1.301 6.527 122 HD13 LEU 18 3HD1 LEU 18 -1.127 1.925 6.157 123 HD21 LEU 18 1HD2 LEU 18 -1.153 4.971 6.390 124 HD22 LEU 18 2HD2 LEU 18 -2.860 5.415 6.360 125 HD23 LEU 18 3HD2 LEU 18 -2.186 4.411 5.075 126 H GLU 19 H GLU 19 -5.836 4.654 9.168 127 HA GLU 19 HA GLU 19 -8.261 3.012 8.998 128 HB2 GLU 19 1HB GLU 19 -7.302 4.601 11.321 129 HB3 GLU 19 2HB GLU 19 -9.023 4.650 10.966 130 HG2 GLU 19 1HG GLU 19 -9.345 2.463 11.510 131 HG3 GLU 19 2HG GLU 19 -7.702 1.997 11.075 132 H VAL 20 H VAL 20 -9.403 3.849 7.388 133 HA VAL 20 HA VAL 20 -9.696 6.775 7.251 134 HB VAL 20 HB VAL 20 -9.596 5.022 4.802 135 HG11 VAL 20 1HG1 VAL 20 -9.558 7.006 3.569 136 HG12 VAL 20 2HG1 VAL 20 -10.740 7.320 4.841 137 HG13 VAL 20 3HG1 VAL 20 -9.108 7.977 4.970 138 HG21 VAL 20 1HG2 VAL 20 -7.377 4.963 4.867 139 HG22 VAL 20 2HG2 VAL 20 -7.306 6.718 5.027 140 HG23 VAL 20 3HG2 VAL 20 -7.423 5.705 6.466 141 H LEU 21 H LEU 21 -11.695 7.544 6.501 142 HA LEU 21 HA LEU 21 -13.905 5.760 7.026 143 HB2 LEU 21 1HB LEU 21 -13.737 8.182 7.764 144 HB3 LEU 21 2HB LEU 21 -14.062 8.612 6.086 145 HG LEU 21 HG LEU 21 -16.169 7.037 6.506 146 HD11 LEU 21 1HD1 LEU 21 -16.826 6.753 8.635 147 HD12 LEU 21 2HD1 LEU 21 -16.214 8.325 9.146 148 HD13 LEU 21 3HD1 LEU 21 -15.112 6.956 8.994 149 HD21 LEU 21 1HD2 LEU 21 -15.983 9.908 7.413 150 HD22 LEU 21 2HD2 LEU 21 -17.457 9.052 6.960 151 HD23 LEU 21 3HD2 LEU 21 -16.211 9.365 5.750 152 H GLU 22 H GLU 22 -15.588 5.265 5.585 153 HA GLU 22 HA GLU 22 -14.859 4.543 3.010 154 HB2 GLU 22 1HB GLU 22 -16.748 3.496 4.028 155 HB3 GLU 22 2HB GLU 22 -17.578 5.034 4.219 156 HG2 GLU 22 1HG GLU 22 -17.856 5.222 1.826 157 HG3 GLU 22 2HG GLU 22 -16.940 3.736 1.580 158 H GLY 23 H GLY 23 -15.218 5.403 0.967 159 HA2 GLY 23 1HA GLY 23 -15.741 7.014 -0.620 160 HA3 GLY 23 2HA GLY 23 -16.483 7.979 0.649 161 H GLY 24 H GLY 24 -13.293 6.869 1.257 162 HA2 GLY 24 1HA GLY 24 -12.269 9.569 0.623 163 HA3 GLY 24 2HA GLY 24 -11.755 8.642 2.025 164 H ALA 25 H ALA 25 -9.600 8.530 1.555 165 HA ALA 25 HA ALA 25 -8.888 6.762 -0.665 166 HB1 ALA 25 1HB ALA 25 -8.429 8.779 -1.726 167 HB2 ALA 25 2HB ALA 25 -7.841 9.537 -0.246 168 HB3 ALA 25 3HB ALA 25 -6.866 8.311 -1.056 169 H ALA 26 H ALA 26 -7.107 5.476 -0.294 170 HA ALA 26 HA ALA 26 -5.998 5.615 2.433 171 HB1 ALA 26 1HB ALA 26 -5.636 3.220 2.296 172 HB2 ALA 26 2HB ALA 26 -7.327 3.601 1.968 173 HB3 ALA 26 3HB ALA 26 -6.239 3.202 0.638 174 H THR 27 H THR 27 -3.913 6.077 2.637 175 HA THR 27 HA THR 27 -2.179 5.800 0.271 176 HB THR 27 HB THR 27 -1.931 7.715 2.598 177 HG1 THR 27 1HG THR 27 -2.112 9.176 0.609 178 HG21 THR 27 1HG2 THR 27 0.258 6.914 1.728 179 HG22 THR 27 2HG2 THR 27 -0.009 8.638 1.469 180 HG23 THR 27 3HG2 THR 27 -0.203 7.505 0.132 181 H LEU 28 H LEU 28 -1.158 3.890 0.494 182 HA LEU 28 HA LEU 28 -0.095 3.125 3.109 183 HB2 LEU 28 1HB LEU 28 -0.481 1.653 0.521 184 HB3 LEU 28 2HB LEU 28 0.491 0.990 1.833 185 HG LEU 28 HG LEU 28 -1.735 1.453 3.207 186 HD11 LEU 28 1HD1 LEU 28 -2.684 2.352 0.926 187 HD12 LEU 28 2HD1 LEU 28 -3.696 1.423 2.033 188 HD13 LEU 28 3HD1 LEU 28 -2.974 0.637 0.628 189 HD21 LEU 28 1HD2 LEU 28 -1.314 -0.910 1.379 190 HD22 LEU 28 2HD2 LEU 28 -2.359 -0.877 2.800 191 HD23 LEU 28 3HD2 LEU 28 -0.613 -0.700 2.984 192 H ARG 29 H ARG 29 1.921 3.640 3.610 193 HA ARG 29 HA ARG 29 3.952 3.650 1.486 194 HB2 ARG 29 1HB ARG 29 5.007 5.623 2.615 195 HB3 ARG 29 2HB ARG 29 3.461 5.964 1.849 196 HG2 ARG 29 1HG ARG 29 2.399 6.329 3.829 197 HG3 ARG 29 2HG ARG 29 3.449 5.228 4.722 198 HD2 ARG 29 1HD ARG 29 5.272 7.039 4.122 199 HD3 ARG 29 2HD ARG 29 3.859 8.085 3.994 200 HE ARG 29 HE ARG 29 4.979 6.958 6.401 201 HH11 ARG 29 2HH1 ARG 29 2.169 8.366 4.904 202 HH12 ARG 29 1HH1 ARG 29 1.469 8.883 6.402 203 HH21 ARG 29 2HH2 ARG 29 4.067 7.633 8.380 204 HH22 ARG 29 1HH2 ARG 29 2.550 8.466 8.379 205 H CYS 30 H CYS 30 6.031 3.041 2.115 206 HA CYS 30 HA CYS 30 6.485 2.284 4.890 207 HB2 CYS 30 1HB CYS 30 7.350 0.014 4.053 208 HB3 CYS 30 2HB CYS 30 5.608 0.225 4.174 209 HG CYS 30 HG CYS 30 5.035 0.104 1.609 210 H VAL 31 H VAL 31 8.620 2.303 5.485 211 HA VAL 31 HA VAL 31 10.492 3.282 3.442 212 HB VAL 31 HB VAL 31 10.694 3.469 6.451 213 HG11 VAL 31 1HG1 VAL 31 12.868 3.763 6.008 214 HG12 VAL 31 2HG1 VAL 31 12.582 3.982 4.281 215 HG13 VAL 31 3HG1 VAL 31 12.384 5.341 5.389 216 HG21 VAL 31 1HG2 VAL 31 9.628 5.303 4.359 217 HG22 VAL 31 2HG2 VAL 31 9.031 4.982 5.987 218 HG23 VAL 31 3HG2 VAL 31 10.457 5.993 5.755 219 H LEU 32 H LEU 32 12.527 2.377 3.194 220 HA LEU 32 HA LEU 32 12.918 -0.233 4.506 221 HB2 LEU 32 1HB LEU 32 13.776 0.620 1.744 222 HB3 LEU 32 2HB LEU 32 14.106 -0.945 2.484 223 HG LEU 32 HG LEU 32 11.450 -0.994 2.643 224 HD11 LEU 32 1HD1 LEU 32 11.538 0.238 -0.013 225 HD12 LEU 32 2HD1 LEU 32 11.751 1.367 1.325 226 HD13 LEU 32 3HD1 LEU 32 10.315 0.346 1.253 227 HD21 LEU 32 1HD2 LEU 32 11.463 -2.216 0.487 228 HD22 LEU 32 2HD2 LEU 32 12.772 -2.694 1.569 229 HD23 LEU 32 3HD2 LEU 32 13.102 -1.629 0.201 230 H SER 33 H SER 33 15.084 -0.870 4.959 231 HA SER 33 HA SER 33 16.663 1.002 6.206 232 HB2 SER 33 1HB SER 33 18.386 -0.669 6.320 233 HB3 SER 33 2HB SER 33 16.836 -1.504 6.424 234 HG SER 33 HG SER 33 17.083 -2.250 4.393 235 H SER 34 H SER 34 16.857 -0.137 2.868 236 HA SER 34 HA SER 34 18.728 2.070 2.308 237 HB2 SER 34 1HB SER 34 18.698 -0.746 1.234 238 HB3 SER 34 2HB SER 34 19.516 0.562 0.379 239 HG SER 34 HG SER 34 20.055 0.250 3.098 240 H VAL 35 H VAL 35 18.746 2.458 -0.207 241 HA VAL 35 HA VAL 35 15.934 2.807 -0.992 242 HB VAL 35 HB VAL 35 18.381 4.296 -1.955 243 HG11 VAL 35 1HG1 VAL 35 15.846 5.566 -2.469 244 HG12 VAL 35 2HG1 VAL 35 17.145 5.158 -3.591 245 HG13 VAL 35 3HG1 VAL 35 15.905 3.964 -3.203 246 HG21 VAL 35 1HG2 VAL 35 16.173 5.551 -0.397 247 HG22 VAL 35 2HG2 VAL 35 17.399 4.617 0.460 248 HG23 VAL 35 3HG2 VAL 35 17.872 6.009 -0.513 249 H ALA 36 H ALA 36 15.723 0.700 -1.878 250 HA ALA 36 HA ALA 36 17.296 0.201 -4.314 251 HB1 ALA 36 1HB ALA 36 15.963 -2.120 -3.901 252 HB2 ALA 36 2HB ALA 36 17.571 -1.770 -3.268 253 HB3 ALA 36 3HB ALA 36 16.152 -1.544 -2.245 254 H ALA 37 H ALA 37 16.296 -0.199 -6.264 255 HA ALA 37 HA ALA 37 13.482 -0.502 -6.557 256 HB1 ALA 37 1HB ALA 37 14.356 2.146 -6.240 257 HB2 ALA 37 2HB ALA 37 13.992 1.948 -7.955 258 HB3 ALA 37 3HB ALA 37 12.761 1.588 -6.745 259 HA PRO 38 HA PRO 38 12.180 0.674 -8.465 260 HB2 PRO 38 1HB PRO 38 10.671 -0.886 -10.095 261 HB3 PRO 38 2HB PRO 38 11.546 0.538 -10.669 262 HG2 PRO 38 1HG PRO 38 12.308 -2.351 -10.847 263 HG3 PRO 38 2HG PRO 38 12.441 -1.081 -12.077 264 HD2 PRO 38 1HD PRO 38 14.553 -1.901 -10.595 265 HD3 PRO 38 2HD PRO 38 14.381 -0.230 -11.169 266 H VAL 39 H VAL 39 10.009 -0.424 -7.873 267 HA VAL 39 HA VAL 39 10.599 -2.823 -6.263 268 HB VAL 39 HB VAL 39 8.882 -2.088 -4.687 269 HG11 VAL 39 1HG1 VAL 39 10.231 0.372 -4.479 270 HG12 VAL 39 2HG1 VAL 39 10.591 -1.136 -3.636 271 HG13 VAL 39 3HG1 VAL 39 11.378 -0.774 -5.173 272 HG21 VAL 39 1HG2 VAL 39 7.452 -0.389 -5.032 273 HG22 VAL 39 2HG2 VAL 39 8.685 0.636 -5.767 274 HG23 VAL 39 3HG2 VAL 39 7.881 -0.605 -6.729 275 H LYS 40 H LYS 40 8.489 -4.013 -5.663 276 HA LYS 40 HA LYS 40 6.773 -4.185 -8.053 277 HB2 LYS 40 1HB LYS 40 8.196 -6.114 -8.051 278 HB3 LYS 40 2HB LYS 40 7.889 -6.410 -6.345 279 HG2 LYS 40 1HG LYS 40 5.841 -7.340 -6.729 280 HG3 LYS 40 2HG LYS 40 5.578 -6.419 -8.212 281 HD2 LYS 40 1HD LYS 40 6.850 -7.869 -9.492 282 HD3 LYS 40 2HD LYS 40 7.749 -8.473 -8.097 283 HE2 LYS 40 1HE LYS 40 5.705 -9.601 -7.306 284 HE3 LYS 40 2HE LYS 40 4.856 -9.038 -8.745 285 HZ1 LYS 40 1HZ LYS 40 7.338 -10.493 -9.188 286 HZ2 LYS 40 2HZ LYS 40 5.884 -10.543 -10.051 287 HZ3 LYS 40 3HZ LYS 40 6.036 -11.399 -8.599 288 H TRP 41 H TRP 41 4.731 -3.700 -7.633 289 HA TRP 41 HA TRP 41 3.731 -4.062 -4.889 290 HB2 TRP 41 1HB TRP 41 3.218 -2.030 -7.001 291 HB3 TRP 41 2HB TRP 41 1.870 -2.464 -5.954 292 HD1 TRP 41 HD TRP 41 5.326 -0.809 -5.850 293 HE1 TRP 41 1HE TRP 41 5.524 0.535 -3.664 294 HE3 TRP 41 3HE TRP 41 1.001 -2.313 -3.579 295 HZ2 TRP 41 2HZ TRP 41 4.042 0.908 -1.290 296 HZ3 TRP 41 3HZ TRP 41 0.465 -1.417 -1.351 297 HH2 TRP 41 HH TRP 41 1.956 0.160 -0.232 298 H CYS 42 H CYS 42 2.414 -5.723 -4.586 299 HA CYS 42 HA CYS 42 0.483 -6.417 -6.675 300 HB2 CYS 42 1HB CYS 42 0.983 -8.749 -6.595 301 HB3 CYS 42 2HB CYS 42 2.511 -7.911 -6.842 302 HG CYS 42 HG CYS 42 1.568 -8.783 -3.692 303 H TYR 43 H TYR 43 -1.382 -7.519 -5.915 304 HA TYR 43 HA TYR 43 -1.706 -7.590 -2.996 305 HB2 TYR 43 1HB TYR 43 -2.675 -5.483 -3.889 306 HB3 TYR 43 2HB TYR 43 -3.737 -6.437 -4.920 307 HD1 TYR 43 1HD TYR 43 -5.233 -8.193 -3.661 308 HD2 TYR 43 2HD TYR 43 -3.444 -4.803 -1.815 309 HE1 TYR 43 1HE TYR 43 -6.892 -8.312 -1.848 310 HE2 TYR 43 2HE TYR 43 -5.097 -4.913 0.003 311 HH TYR 43 HH TYR 43 -7.006 -5.862 0.700 312 H GLY 44 H GLY 44 -1.921 -9.720 -2.648 313 HA2 GLY 44 1HA GLY 44 -2.996 -11.758 -2.578 314 HA3 GLY 44 2HA GLY 44 -4.277 -11.057 -3.556 315 H ASN 45 H ASN 45 -4.162 -11.187 -5.814 316 HA ASN 45 HA ASN 45 -2.139 -13.077 -6.823 317 HB2 ASN 45 1HB ASN 45 -4.635 -13.816 -6.637 318 HB3 ASN 45 2HB ASN 45 -4.858 -12.812 -8.067 319 HD21 ASN 45 1HD2 ASN 45 -2.967 -13.229 -9.718 320 HD22 ASN 45 2HD2 ASN 45 -2.722 -14.898 -10.095 321 H ASN 46 H ASN 46 -4.485 -10.660 -8.005 322 HA ASN 46 HA ASN 46 -3.114 -10.118 -10.403 323 HB2 ASN 46 1HB ASN 46 -4.548 -8.108 -10.532 324 HB3 ASN 46 2HB ASN 46 -5.468 -9.554 -10.125 325 HD21 ASN 46 1HD2 ASN 46 -4.527 -6.425 -9.159 326 HD22 ASN 46 2HD2 ASN 46 -5.360 -6.389 -7.646 327 H VAL 47 H VAL 47 -1.629 -8.583 -10.971 328 HA VAL 47 HA VAL 47 -0.015 -7.506 -8.829 329 HB VAL 47 HB VAL 47 0.317 -7.235 -11.821 330 HG11 VAL 47 1HG1 VAL 47 1.710 -5.587 -11.163 331 HG12 VAL 47 2HG1 VAL 47 1.824 -6.197 -9.511 332 HG13 VAL 47 3HG1 VAL 47 2.790 -6.931 -10.791 333 HG21 VAL 47 1HG2 VAL 47 1.036 -9.335 -11.806 334 HG22 VAL 47 2HG2 VAL 47 2.300 -8.881 -10.663 335 HG23 VAL 47 3HG2 VAL 47 0.739 -9.449 -10.071 336 H LEU 48 H LEU 48 0.327 -5.361 -8.353 337 HA LEU 48 HA LEU 48 -1.784 -3.545 -9.193 338 HB2 LEU 48 1HB LEU 48 0.435 -3.084 -7.208 339 HB3 LEU 48 2HB LEU 48 -1.014 -2.104 -7.422 340 HG LEU 48 HG LEU 48 -1.337 -4.970 -6.677 341 HD11 LEU 48 1HD1 LEU 48 -0.932 -2.960 -4.515 342 HD12 LEU 48 2HD1 LEU 48 0.472 -3.745 -5.238 343 HD13 LEU 48 3HD1 LEU 48 -0.782 -4.716 -4.466 344 HD21 LEU 48 1HD2 LEU 48 -2.864 -2.880 -5.324 345 HD22 LEU 48 2HD2 LEU 48 -3.417 -4.333 -6.157 346 HD23 LEU 48 3HD2 LEU 48 -3.051 -2.873 -7.078 347 H ARG 49 H ARG 49 -1.528 -1.812 -10.484 348 HA ARG 49 HA ARG 49 1.190 -1.003 -11.238 349 HB2 ARG 49 1HB ARG 49 -1.060 -1.575 -13.175 350 HB3 ARG 49 2HB ARG 49 0.477 -0.837 -13.607 351 HG2 ARG 49 1HG ARG 49 1.643 -2.873 -12.889 352 HG3 ARG 49 2HG ARG 49 0.087 -3.611 -12.504 353 HD2 ARG 49 1HD ARG 49 0.474 -4.436 -14.619 354 HD3 ARG 49 2HD ARG 49 -0.493 -3.005 -14.973 355 HE ARG 49 HE ARG 49 2.133 -2.177 -15.039 356 HH11 ARG 49 2HH1 ARG 49 0.167 -4.506 -16.721 357 HH12 ARG 49 1HH1 ARG 49 1.072 -4.400 -18.195 358 HH21 ARG 49 2HH2 ARG 49 3.332 -2.028 -16.974 359 HH22 ARG 49 1HH2 ARG 49 2.872 -2.990 -18.338 360 HA PRO 50 HA PRO 50 -0.357 3.068 -10.618 361 HB2 PRO 50 1HB PRO 50 1.417 4.456 -12.133 362 HB3 PRO 50 2HB PRO 50 1.840 3.738 -10.574 363 HG2 PRO 50 1HG PRO 50 2.348 2.702 -13.336 364 HG3 PRO 50 2HG PRO 50 3.431 2.723 -11.933 365 HD2 PRO 50 1HD PRO 50 2.076 0.506 -12.694 366 HD3 PRO 50 2HD PRO 50 2.459 0.855 -10.996 367 H GLY 51 H GLY 51 -1.747 4.507 -11.556 368 HA2 GLY 51 1HA GLY 51 -1.919 4.977 -14.350 369 HA3 GLY 51 2HA GLY 51 -3.148 3.823 -13.854 370 H ASP 52 H ASP 52 -5.045 4.791 -13.659 371 HA ASP 52 HA ASP 52 -5.144 7.578 -12.760 372 HB2 ASP 52 1HB ASP 52 -6.991 5.821 -14.328 373 HB3 ASP 52 2HB ASP 52 -7.654 7.201 -13.457 374 H LYS 53 H LYS 53 -6.865 4.509 -12.184 375 HA LYS 53 HA LYS 53 -8.254 5.397 -9.898 376 HB2 LYS 53 1HB LYS 53 -8.552 3.263 -11.419 377 HB3 LYS 53 2HB LYS 53 -7.495 2.522 -10.224 378 HG2 LYS 53 1HG LYS 53 -9.915 4.027 -9.336 379 HG3 LYS 53 2HG LYS 53 -10.070 2.378 -9.947 380 HD2 LYS 53 1HD LYS 53 -8.123 1.895 -8.263 381 HD3 LYS 53 2HD LYS 53 -8.693 3.377 -7.492 382 HE2 LYS 53 1HE LYS 53 -10.300 0.886 -8.048 383 HE3 LYS 53 2HE LYS 53 -9.766 1.470 -6.472 384 HZ1 LYS 53 1HZ LYS 53 -11.809 2.644 -8.262 385 HZ2 LYS 53 2HZ LYS 53 -11.110 3.532 -7.004 386 HZ3 LYS 53 3HZ LYS 53 -11.987 2.128 -6.660 387 H TYR 54 H TYR 54 -5.022 4.254 -10.367 388 HA TYR 54 HA TYR 54 -4.599 4.317 -7.451 389 HB2 TYR 54 1HB TYR 54 -3.609 2.441 -9.537 390 HB3 TYR 54 2HB TYR 54 -2.499 2.860 -8.237 391 HD1 TYR 54 2HD TYR 54 -6.188 2.428 -8.059 392 HD2 TYR 54 1HD TYR 54 -2.370 0.887 -6.986 393 HE1 TYR 54 2HE TYR 54 -7.274 0.769 -6.604 394 HE2 TYR 54 1HE TYR 54 -3.446 -0.778 -5.528 395 HH TYR 54 HH TYR 54 -6.970 -1.064 -5.355 396 H SER 55 H SER 55 -2.035 4.530 -7.111 397 HA SER 55 HA SER 55 -0.664 6.240 -8.929 398 HB2 SER 55 1HB SER 55 -2.460 7.729 -7.796 399 HB3 SER 55 2HB SER 55 -1.430 7.620 -6.368 400 HG SER 55 HG SER 55 0.281 8.456 -7.666 401 H LEU 56 H LEU 56 1.247 5.265 -8.690 402 HA LEU 56 HA LEU 56 2.245 4.776 -5.966 403 HB2 LEU 56 1HB LEU 56 2.901 3.492 -8.605 404 HB3 LEU 56 2HB LEU 56 3.886 3.259 -7.162 405 HG LEU 56 HG LEU 56 1.551 2.517 -6.143 406 HD11 LEU 56 1HD1 LEU 56 1.158 2.501 -9.062 407 HD12 LEU 56 2HD1 LEU 56 -0.020 2.613 -7.755 408 HD13 LEU 56 3HD1 LEU 56 0.650 1.045 -8.206 409 HD21 LEU 56 1HD2 LEU 56 3.726 1.114 -7.526 410 HD22 LEU 56 2HD2 LEU 56 2.239 0.182 -7.345 411 HD23 LEU 56 3HD2 LEU 56 3.040 0.851 -5.922 412 H ARG 57 H ARG 57 4.001 5.819 -5.250 413 HA ARG 57 HA ARG 57 5.788 7.119 -7.167 414 HB2 ARG 57 1HB ARG 57 4.243 8.877 -6.616 415 HB3 ARG 57 2HB ARG 57 4.369 8.519 -4.899 416 HG2 ARG 57 1HG ARG 57 5.705 10.372 -5.081 417 HG3 ARG 57 2HG ARG 57 6.889 9.075 -5.253 418 HD2 ARG 57 1HD ARG 57 7.473 10.428 -7.013 419 HD3 ARG 57 2HD ARG 57 6.342 9.329 -7.801 420 HE ARG 57 HE ARG 57 4.926 11.092 -8.138 421 HH11 ARG 57 2HH1 ARG 57 7.272 11.969 -5.720 422 HH12 ARG 57 1HH1 ARG 57 6.774 13.627 -5.651 423 HH21 ARG 57 2HH2 ARG 57 4.261 13.272 -8.056 424 HH22 ARG 57 1HH2 ARG 57 5.061 14.367 -6.980 425 H GLN 58 H GLN 58 7.891 7.432 -6.426 426 HA GLN 58 HA GLN 58 8.509 6.106 -3.869 427 HB2 GLN 58 1HB GLN 58 9.327 4.849 -5.802 428 HB3 GLN 58 2HB GLN 58 10.189 6.270 -6.377 429 HG2 GLN 58 1HG GLN 58 11.825 6.096 -4.787 430 HG3 GLN 58 2HG GLN 58 10.781 5.243 -3.650 431 HE21 GLN 58 1HE2 GLN 58 12.899 3.998 -3.596 432 HE22 GLN 58 2HE2 GLN 58 13.017 2.646 -4.666 433 H GLU 59 H GLU 59 9.291 7.386 -2.342 434 HA GLU 59 HA GLU 59 10.717 9.834 -3.155 435 HB2 GLU 59 1HB GLU 59 8.387 9.980 -1.975 436 HB3 GLU 59 2HB GLU 59 9.303 9.602 -0.523 437 HG2 GLU 59 1HG GLU 59 8.953 12.015 -0.849 438 HG3 GLU 59 2HG GLU 59 10.656 11.564 -0.797 439 H GLY 60 H GLY 60 12.680 8.562 -3.106 440 HA2 GLY 60 1HA GLY 60 14.555 7.672 -2.106 441 HA3 GLY 60 2HA GLY 60 14.273 8.933 -0.915 442 H ALA 61 H ALA 61 13.979 5.558 -1.648 443 HA ALA 61 HA ALA 61 13.425 3.732 -0.394 444 HB1 ALA 61 1HB ALA 61 14.098 4.270 2.174 445 HB2 ALA 61 2HB ALA 61 15.248 3.812 0.918 446 HB3 ALA 61 3HB ALA 61 15.013 5.513 1.319 447 H MET 62 H MET 62 11.283 5.565 -0.820 448 HA MET 62 HA MET 62 9.609 4.829 1.458 449 HB2 MET 62 1HB MET 62 10.481 7.226 1.691 450 HB3 MET 62 2HB MET 62 9.463 7.611 0.310 451 HG2 MET 62 1HG MET 62 7.498 7.181 1.484 452 HG3 MET 62 2HG MET 62 8.339 6.276 2.740 453 HE1 MET 62 1HE MET 62 6.908 9.211 1.423 454 HE2 MET 62 2HE MET 62 6.312 9.525 3.053 455 HE3 MET 62 3HE MET 62 7.475 10.625 2.311 456 H LEU 63 H LEU 63 7.928 3.754 0.681 457 HA LEU 63 HA LEU 63 7.108 4.166 -2.091 458 HB2 LEU 63 1HB LEU 63 6.454 2.046 -0.058 459 HB3 LEU 63 2HB LEU 63 5.685 2.134 -1.641 460 HG LEU 63 HG LEU 63 7.346 0.517 -1.892 461 HD11 LEU 63 1HD1 LEU 63 7.375 2.585 -3.496 462 HD12 LEU 63 2HD1 LEU 63 8.621 1.343 -3.611 463 HD13 LEU 63 3HD1 LEU 63 8.962 2.859 -2.777 464 HD21 LEU 63 1HD2 LEU 63 8.836 2.212 0.003 465 HD22 LEU 63 2HD2 LEU 63 9.804 1.392 -1.222 466 HD23 LEU 63 3HD2 LEU 63 8.769 0.456 -0.143 467 H GLU 64 H GLU 64 4.820 4.297 -2.631 468 HA GLU 64 HA GLU 64 2.989 5.129 -0.548 469 HB2 GLU 64 1HB GLU 64 4.439 7.139 -1.455 470 HB3 GLU 64 2HB GLU 64 3.310 7.065 -2.801 471 HG2 GLU 64 1HG GLU 64 1.454 7.477 -1.365 472 HG3 GLU 64 2HG GLU 64 2.461 7.310 0.072 473 H LEU 65 H LEU 65 1.058 4.314 -1.001 474 HA LEU 65 HA LEU 65 0.328 3.898 -3.823 475 HB2 LEU 65 1HB LEU 65 0.861 1.755 -2.931 476 HB3 LEU 65 2HB LEU 65 -0.083 2.063 -1.475 477 HG LEU 65 HG LEU 65 -2.140 2.038 -2.872 478 HD11 LEU 65 1HD1 LEU 65 -1.170 0.600 -5.104 479 HD12 LEU 65 2HD1 LEU 65 -0.234 2.090 -4.984 480 HD13 LEU 65 3HD1 LEU 65 -1.994 2.159 -5.078 481 HD21 LEU 65 1HD2 LEU 65 -0.560 -0.500 -3.201 482 HD22 LEU 65 2HD2 LEU 65 -2.299 -0.317 -2.971 483 HD23 LEU 65 3HD2 LEU 65 -1.191 0.039 -1.645 484 H VAL 66 H VAL 66 -1.190 5.380 -4.221 485 HA VAL 66 HA VAL 66 -3.143 6.072 -2.168 486 HB VAL 66 HB VAL 66 -2.809 7.229 -4.938 487 HG11 VAL 66 1HG1 VAL 66 -4.886 7.967 -4.442 488 HG12 VAL 66 2HG1 VAL 66 -4.673 7.730 -2.706 489 HG13 VAL 66 3HG1 VAL 66 -3.997 9.158 -3.492 490 HG21 VAL 66 1HG2 VAL 66 -1.294 7.614 -2.506 491 HG22 VAL 66 2HG2 VAL 66 -0.980 8.215 -4.134 492 HG23 VAL 66 3HG2 VAL 66 -2.038 9.118 -3.050 493 H VAL 67 H VAL 67 -5.207 5.420 -2.166 494 HA VAL 67 HA VAL 67 -6.267 4.111 -4.580 495 HB VAL 67 HB VAL 67 -6.578 3.132 -1.738 496 HG11 VAL 67 1HG1 VAL 67 -7.700 1.883 -4.237 497 HG12 VAL 67 2HG1 VAL 67 -8.003 1.418 -2.562 498 HG13 VAL 67 3HG1 VAL 67 -8.630 2.946 -3.182 499 HG21 VAL 67 1HG2 VAL 67 -5.632 1.044 -3.194 500 HG22 VAL 67 2HG2 VAL 67 -4.823 2.401 -3.978 501 HG23 VAL 67 3HG2 VAL 67 -4.625 2.138 -2.245 502 H ARG 68 H ARG 68 -7.947 5.245 -5.276 503 HA ARG 68 HA ARG 68 -9.499 6.858 -3.413 504 HB2 ARG 68 1HB ARG 68 -9.765 6.663 -6.417 505 HB3 ARG 68 2HB ARG 68 -10.463 7.894 -5.373 506 HG2 ARG 68 1HG ARG 68 -7.506 7.523 -5.422 507 HG3 ARG 68 2HG ARG 68 -8.302 8.389 -6.737 508 HD2 ARG 68 1HD ARG 68 -8.621 9.060 -3.816 509 HD3 ARG 68 2HD ARG 68 -7.481 9.857 -4.899 510 HE ARG 68 HE ARG 68 -10.004 10.019 -6.064 511 HH11 ARG 68 2HH1 ARG 68 -8.351 11.181 -3.229 512 HH12 ARG 68 1HH1 ARG 68 -9.301 12.625 -3.108 513 HH21 ARG 68 2HH2 ARG 68 -11.261 11.917 -5.915 514 HH22 ARG 68 1HH2 ARG 68 -10.956 13.042 -4.636 515 H ASN 69 H ASN 69 -11.945 6.944 -3.956 516 HA ASN 69 HA ASN 69 -13.951 5.892 -3.718 517 HB2 ASN 69 1HB ASN 69 -13.123 5.333 -6.170 518 HB3 ASN 69 2HB ASN 69 -13.056 3.693 -5.532 519 HD21 ASN 69 1HD2 ASN 69 -14.874 2.549 -5.414 520 HD22 ASN 69 2HD2 ASN 69 -16.459 3.168 -5.714 521 H LEU 70 H LEU 70 -12.436 5.336 -1.609 522 HA LEU 70 HA LEU 70 -11.833 2.647 -1.096 523 HB2 LEU 70 1HB LEU 70 -12.310 5.067 0.557 524 HB3 LEU 70 2HB LEU 70 -12.345 3.501 1.366 525 HG LEU 70 HG LEU 70 -10.016 4.506 -0.264 526 HD11 LEU 70 1HD1 LEU 70 -10.848 5.105 2.464 527 HD12 LEU 70 2HD1 LEU 70 -9.642 5.891 1.445 528 HD13 LEU 70 3HD1 LEU 70 -9.216 4.443 2.356 529 HD21 LEU 70 1HD2 LEU 70 -10.233 2.237 1.711 530 HD22 LEU 70 2HD2 LEU 70 -8.803 2.698 0.787 531 HD23 LEU 70 3HD2 LEU 70 -10.222 2.058 -0.044 532 H ARG 71 H ARG 71 -12.968 0.982 -0.161 533 HA ARG 71 HA ARG 71 -15.798 1.410 0.456 534 HB2 ARG 71 1HB ARG 71 -14.802 -0.783 -1.373 535 HB3 ARG 71 2HB ARG 71 -16.465 -0.542 -0.853 536 HG2 ARG 71 1HG ARG 71 -14.990 1.594 -2.344 537 HG3 ARG 71 2HG ARG 71 -15.781 0.261 -3.189 538 HD2 ARG 71 1HD ARG 71 -17.144 2.115 -1.241 539 HD3 ARG 71 2HD ARG 71 -17.195 2.289 -2.995 540 HE ARG 71 HE ARG 71 -18.072 -0.249 -2.557 541 HH11 ARG 71 2HH1 ARG 71 -19.014 2.894 -1.392 542 HH12 ARG 71 1HH1 ARG 71 -20.680 2.463 -1.189 543 HH21 ARG 71 2HH2 ARG 71 -20.263 -0.828 -2.295 544 HH22 ARG 71 1HH2 ARG 71 -21.389 0.346 -1.703 545 HA PRO 72 HA PRO 72 -15.022 -1.249 3.862 546 HB2 PRO 72 1HB PRO 72 -17.478 -2.352 4.218 547 HB3 PRO 72 2HB PRO 72 -17.111 -0.672 4.626 548 HG2 PRO 72 1HG PRO 72 -18.452 -1.779 2.190 549 HG3 PRO 72 2HG PRO 72 -18.882 -0.353 3.153 550 HD2 PRO 72 1HD PRO 72 -17.538 -0.178 0.809 551 HD3 PRO 72 2HD PRO 72 -17.283 0.965 2.143 552 H GLN 73 H GLN 73 -15.765 -2.435 0.794 553 HA GLN 73 HA GLN 73 -15.599 -5.240 1.616 554 HB2 GLN 73 1HB GLN 73 -16.098 -4.082 -1.132 555 HB3 GLN 73 2HB GLN 73 -16.236 -5.774 -0.672 556 HG2 GLN 73 1HG GLN 73 -17.988 -4.927 1.025 557 HG3 GLN 73 2HG GLN 73 -18.022 -3.481 0.016 558 HE21 GLN 73 1HE2 GLN 73 -20.283 -4.927 0.311 559 HE22 GLN 73 2HE2 GLN 73 -20.664 -5.758 -1.155 560 H ASP 74 H ASP 74 -13.729 -2.718 0.205 561 HA ASP 74 HA ASP 74 -11.828 -4.336 -1.157 562 HB2 ASP 74 1HB ASP 74 -11.814 -2.138 -1.902 563 HB3 ASP 74 2HB ASP 74 -11.934 -1.478 -0.273 564 H SER 75 H SER 75 -12.074 -3.059 2.109 565 HA SER 75 HA SER 75 -9.632 -3.277 3.186 566 HB2 SER 75 1HB SER 75 -12.231 -4.315 4.323 567 HB3 SER 75 2HB SER 75 -10.742 -4.234 5.264 568 HG SER 75 HG SER 75 -12.149 -2.083 4.066 569 H GLY 76 H GLY 76 -8.098 -4.769 3.549 570 HA2 GLY 76 1HA GLY 76 -8.635 -7.560 3.795 571 HA3 GLY 76 2HA GLY 76 -7.999 -7.176 2.202 572 H ARG 77 H ARG 77 -6.005 -8.061 2.305 573 HA ARG 77 HA ARG 77 -4.196 -6.985 4.363 574 HB2 ARG 77 1HB ARG 77 -4.787 -9.377 4.780 575 HB3 ARG 77 2HB ARG 77 -4.077 -9.780 3.222 576 HG2 ARG 77 1HG ARG 77 -1.906 -9.108 3.961 577 HG3 ARG 77 2HG ARG 77 -2.567 -8.461 5.465 578 HD2 ARG 77 1HD ARG 77 -1.506 -10.651 5.790 579 HD3 ARG 77 2HD ARG 77 -3.230 -10.688 6.161 580 HE ARG 77 HE ARG 77 -3.533 -12.166 4.440 581 HH11 ARG 77 2HH1 ARG 77 -0.410 -10.663 4.118 582 HH12 ARG 77 1HH1 ARG 77 0.102 -11.701 2.828 583 HH21 ARG 77 2HH2 ARG 77 -2.872 -13.539 2.742 584 HH22 ARG 77 1HH2 ARG 77 -1.300 -13.336 2.046 585 H TYR 78 H TYR 78 -2.700 -5.755 3.452 586 HA TYR 78 HA TYR 78 -2.061 -6.072 0.633 587 HB2 TYR 78 1HB TYR 78 -1.260 -3.991 2.674 588 HB3 TYR 78 2HB TYR 78 -0.721 -3.978 0.998 589 HD1 TYR 78 2HD TYR 78 -3.908 -4.195 2.943 590 HD2 TYR 78 1HD TYR 78 -1.908 -2.682 -0.494 591 HE1 TYR 78 2HE TYR 78 -5.944 -2.972 2.304 592 HE2 TYR 78 1HE TYR 78 -3.938 -1.454 -1.142 593 HH TYR 78 HH TYR 78 -5.972 -0.755 -0.435 594 H SER 79 H SER 79 0.191 -6.047 -0.095 595 HA SER 79 HA SER 79 2.269 -6.813 1.731 596 HB2 SER 79 1HB SER 79 2.691 -9.035 0.750 597 HB3 SER 79 2HB SER 79 1.104 -8.963 1.516 598 HG SER 79 HG SER 79 0.475 -8.320 -0.804 599 H CYS 80 H CYS 80 4.341 -6.864 0.754 600 HA CYS 80 HA CYS 80 4.460 -6.061 -2.064 601 HB2 CYS 80 1HB CYS 80 4.546 -3.991 -0.771 602 HB3 CYS 80 2HB CYS 80 5.856 -4.636 0.211 603 HG CYS 80 HG CYS 80 5.966 -3.609 -3.035 604 H SER 81 H SER 81 6.090 -6.966 -3.185 605 HA SER 81 HA SER 81 7.994 -8.621 -1.670 606 HB2 SER 81 1HB SER 81 6.928 -8.919 -4.485 607 HB3 SER 81 2HB SER 81 8.223 -9.912 -3.815 608 HG SER 81 HG SER 81 5.953 -9.748 -2.257 609 H PHE 82 H PHE 82 9.989 -7.858 -1.563 610 HA PHE 82 HA PHE 82 11.384 -6.931 -3.878 611 HB2 PHE 82 1HB PHE 82 10.002 -4.921 -3.071 612 HB3 PHE 82 2HB PHE 82 11.088 -4.886 -1.686 613 HD1 PHE 82 1HD PHE 82 11.670 -5.465 -5.324 614 HD2 PHE 82 2HD PHE 82 12.507 -3.093 -1.890 615 HE1 PHE 82 1HE PHE 82 13.286 -4.149 -6.631 616 HE2 PHE 82 2HE PHE 82 14.124 -1.773 -3.192 617 HZ PHE 82 HZ PHE 82 14.515 -2.300 -5.566 618 H GLY 83 H GLY 83 13.590 -7.016 -3.618 619 HA2 GLY 83 1HA GLY 83 15.575 -7.674 -2.673 620 HA3 GLY 83 2HA GLY 83 15.002 -6.873 -1.218 621 H ASP 84 H ASP 84 13.360 -9.590 -2.700 622 HA ASP 84 HA ASP 84 12.985 -11.726 -2.008 623 HB2 ASP 84 1HB ASP 84 15.475 -11.412 -0.322 624 HB3 ASP 84 2HB ASP 84 14.727 -12.921 -0.836 625 H GLN 85 H GLN 85 12.022 -9.340 -0.522 626 HA GLN 85 HA GLN 85 11.536 -10.623 2.086 627 HB2 GLN 85 1HB GLN 85 11.770 -7.717 1.337 628 HB3 GLN 85 2HB GLN 85 10.983 -8.228 2.824 629 HG2 GLN 85 1HG GLN 85 13.705 -9.264 2.252 630 HG3 GLN 85 2HG GLN 85 13.534 -7.582 2.749 631 HE21 GLN 85 1HE2 GLN 85 14.918 -9.400 4.275 632 HE22 GLN 85 2HE2 GLN 85 14.054 -9.697 5.741 633 H THR 86 H THR 86 9.420 -10.215 3.046 634 HA THR 86 HA THR 86 7.308 -9.460 1.171 635 HB THR 86 HB THR 86 7.233 -12.079 2.680 636 HG1 THR 86 1HG THR 86 8.560 -12.483 0.998 637 HG21 THR 86 1HG2 THR 86 5.372 -11.836 0.509 638 HG22 THR 86 2HG2 THR 86 5.173 -10.480 1.619 639 HG23 THR 86 3HG2 THR 86 5.054 -12.135 2.217 640 H THR 87 H THR 87 6.317 -7.872 2.234 641 HA THR 87 HA THR 87 5.964 -8.085 5.138 642 HB THR 87 HB THR 87 6.984 -6.006 4.346 643 HG1 THR 87 1HG THR 87 4.380 -5.252 5.109 644 HG21 THR 87 1HG2 THR 87 4.381 -5.442 2.929 645 HG22 THR 87 2HG2 THR 87 5.831 -6.025 2.112 646 HG23 THR 87 3HG2 THR 87 5.845 -4.460 2.924 647 H SER 88 H SER 88 3.897 -7.434 6.070 648 HA SER 88 HA SER 88 1.582 -7.666 4.303 649 HB2 SER 88 1HB SER 88 0.537 -9.389 5.682 650 HB3 SER 88 2HB SER 88 2.087 -9.968 5.072 651 HG SER 88 HG SER 88 1.271 -9.668 7.618 652 H ALA 89 H ALA 89 -0.026 -6.336 4.873 653 HA ALA 89 HA ALA 89 -0.152 -5.342 7.629 654 HB1 ALA 89 1HB ALA 89 0.999 -3.557 6.720 655 HB2 ALA 89 2HB ALA 89 0.193 -3.697 5.157 656 HB3 ALA 89 3HB ALA 89 -0.679 -3.044 6.544 657 H THR 90 H THR 90 -2.208 -3.854 7.798 658 HA THR 90 HA THR 90 -4.403 -5.070 6.262 659 HB THR 90 HB THR 90 -4.669 -4.434 9.195 660 HG1 THR 90 1HG THR 90 -3.075 -6.229 8.412 661 HG21 THR 90 1HG2 THR 90 -6.261 -6.089 7.238 662 HG22 THR 90 2HG2 THR 90 -6.765 -4.607 8.051 663 HG23 THR 90 3HG2 THR 90 -6.540 -6.089 8.979 664 H LEU 91 H LEU 91 -6.347 -3.790 6.159 665 HA LEU 91 HA LEU 91 -5.937 -0.938 6.758 666 HB2 LEU 91 1HB LEU 91 -5.563 -1.361 4.373 667 HB3 LEU 91 2HB LEU 91 -7.164 -2.090 4.256 668 HG LEU 91 HG LEU 91 -8.132 0.130 4.882 669 HD11 LEU 91 1HD1 LEU 91 -5.757 0.820 5.802 670 HD12 LEU 91 2HD1 LEU 91 -6.878 2.014 5.148 671 HD13 LEU 91 3HD1 LEU 91 -5.553 1.411 4.153 672 HD21 LEU 91 1HD2 LEU 91 -8.428 0.108 2.676 673 HD22 LEU 91 2HD2 LEU 91 -6.864 -0.658 2.400 674 HD23 LEU 91 3HD2 LEU 91 -6.972 1.096 2.558 675 H THR 92 H THR 92 -7.715 0.199 7.445 676 HA THR 92 HA THR 92 -10.164 -1.381 7.888 677 HB THR 92 HB THR 92 -8.971 0.779 9.633 678 HG1 THR 92 1HG THR 92 -8.158 -0.879 10.649 679 HG21 THR 92 1HG2 THR 92 -10.981 1.133 10.523 680 HG22 THR 92 2HG2 THR 92 -11.170 -0.591 10.841 681 HG23 THR 92 3HG2 THR 92 -11.689 0.083 9.297 682 H VAL 93 H VAL 93 -12.046 -0.571 7.174 683 HA VAL 93 HA VAL 93 -12.121 2.247 6.325 684 HB VAL 93 HB VAL 93 -13.216 -0.115 4.793 685 HG11 VAL 93 1HG1 VAL 93 -14.764 1.295 4.032 686 HG12 VAL 93 2HG1 VAL 93 -13.994 2.677 4.815 687 HG13 VAL 93 3HG1 VAL 93 -13.454 2.153 3.220 688 HG21 VAL 93 1HG2 VAL 93 -11.357 1.879 3.617 689 HG22 VAL 93 2HG2 VAL 93 -10.690 0.697 4.743 690 HG23 VAL 93 3HG2 VAL 93 -11.525 0.155 3.287 691 H THR 94 H THR 94 -13.719 3.334 7.251 692 HA THR 94 HA THR 94 -15.814 1.899 8.662 693 HB THR 94 HB THR 94 -15.374 4.885 8.515 694 HG1 THR 94 1HG THR 94 -13.682 3.296 9.488 695 HG21 THR 94 1HG2 THR 94 -17.240 5.023 9.722 696 HG22 THR 94 2HG2 THR 94 -16.500 4.017 10.967 697 HG23 THR 94 3HG2 THR 94 -17.424 3.270 9.664 698 H ALA 95 H ALA 95 -17.843 1.659 7.971 699 HA ALA 95 HA ALA 95 -18.589 2.502 5.349 700 HB1 ALA 95 1HB ALA 95 -19.357 0.383 6.311 701 HB2 ALA 95 2HB ALA 95 -20.291 1.271 7.515 702 HB3 ALA 95 3HB ALA 95 -20.708 1.398 5.806 703 H LEU 96 H LEU 96 -19.370 4.414 4.784 704 HA LEU 96 HA LEU 96 -20.148 6.361 6.732 705 HB2 LEU 96 1HB LEU 96 -20.056 7.880 5.045 706 HB3 LEU 96 2HB LEU 96 -19.040 6.616 4.356 707 HG LEU 96 HG LEU 96 -21.219 5.822 3.205 708 HD11 LEU 96 1HD1 LEU 96 -22.347 7.800 4.694 709 HD12 LEU 96 2HD1 LEU 96 -23.043 7.119 3.224 710 HD13 LEU 96 3HD1 LEU 96 -22.106 8.611 3.146 711 HD21 LEU 96 1HD2 LEU 96 -19.166 7.642 2.500 712 HD22 LEU 96 2HD2 LEU 96 -20.674 8.239 1.808 713 HD23 LEU 96 3HD2 LEU 96 -20.123 6.603 1.443 714 HA PRO 97 HA PRO 97 -24.468 5.568 6.952 715 HB2 PRO 97 1HB PRO 97 -25.352 8.050 7.611 716 HB3 PRO 97 2HB PRO 97 -24.494 7.003 8.747 717 HG2 PRO 97 1HG PRO 97 -23.449 9.280 7.109 718 HG3 PRO 97 2HG PRO 97 -23.119 8.877 8.804 719 HD2 PRO 97 1HD PRO 97 -21.397 8.278 6.802 720 HD3 PRO 97 2HD PRO 97 -21.568 7.265 8.250 721 H SER 98 H SER 98 -25.069 5.090 4.841 722 HA SER 98 HA SER 98 -25.900 7.383 3.186 723 HB2 SER 98 1HB SER 98 -24.092 5.645 2.380 724 HB3 SER 98 2HB SER 98 -25.504 4.650 2.026 725 HG SER 98 HG SER 98 -25.934 5.881 0.379 726 H GLY 99 H GLY 99 -27.983 7.548 2.575 727 HA2 GLY 99 1HA GLY 99 -29.751 5.263 2.588 728 HA3 GLY 99 2HA GLY 99 -30.067 6.415 3.878 729 HA PRO 100 HA PRO 100 -32.541 8.827 1.188 730 HB2 PRO 100 1HB PRO 100 -32.026 11.349 2.052 731 HB3 PRO 100 2HB PRO 100 -32.983 10.191 2.983 732 HG2 PRO 100 1HG PRO 100 -30.102 10.945 3.288 733 HG3 PRO 100 2HG PRO 100 -31.333 10.697 4.541 734 HD2 PRO 100 1HD PRO 100 -29.486 8.816 3.920 735 HD3 PRO 100 2HD PRO 100 -31.122 8.403 4.471 736 H SER 101 H SER 101 -32.272 9.332 -0.887 737 HA SER 101 HA SER 101 -30.014 9.532 -2.316 738 HB2 SER 101 1HB SER 101 -32.627 10.978 -2.710 739 HB3 SER 101 2HB SER 101 -31.313 11.123 -3.877 740 HG SER 101 HG SER 101 -32.043 8.558 -3.061 741 H SER 102 H SER 102 -28.339 10.870 -2.561 742 HA SER 102 HA SER 102 -28.584 13.661 -1.711 743 HB2 SER 102 1HB SER 102 -27.676 12.567 0.243 744 HB3 SER 102 2HB SER 102 -26.466 11.734 -0.732 745 HG SER 102 HG SER 102 -26.436 14.258 0.293 746 H GLY 103 H GLY 103 -27.187 15.092 -2.747 747 HA2 GLY 103 1HA GLY 103 -26.484 14.531 -5.375 748 HA3 GLY 103 2HA GLY 103 -25.850 15.876 -4.440 Start of MODEL 14 1 H1 GLY 1 H GLY 1 21.890 -7.546 21.279 2 HA2 GLY 1 1HA GLY 1 24.587 -7.065 20.995 3 HA3 GLY 1 2HA GLY 1 24.483 -8.499 22.006 4 H SER 2 H SER 2 25.367 -7.924 19.139 5 HA SER 2 HA SER 2 24.130 -10.306 18.013 6 HB2 SER 2 1HB SER 2 22.665 -8.700 17.066 7 HB3 SER 2 2HB SER 2 23.983 -7.574 16.742 8 HG SER 2 HG SER 2 24.076 -8.470 14.854 9 H SER 3 H SER 3 25.294 -11.140 16.148 10 HA SER 3 HA SER 3 28.097 -11.026 16.513 11 HB2 SER 3 1HB SER 3 28.231 -12.552 14.631 12 HB3 SER 3 2HB SER 3 26.868 -13.017 15.649 13 HG SER 3 HG SER 3 26.322 -11.229 13.599 14 H GLY 4 H GLY 4 25.978 -8.993 14.851 15 HA2 GLY 4 1HA GLY 4 26.412 -7.076 13.643 16 HA3 GLY 4 2HA GLY 4 28.129 -7.389 13.852 17 H SER 5 H SER 5 25.346 -7.859 11.822 18 HA SER 5 HA SER 5 27.070 -8.341 9.550 19 HB2 SER 5 1HB SER 5 26.729 -10.621 10.409 20 HB3 SER 5 2HB SER 5 24.982 -10.387 10.344 21 HG SER 5 HG SER 5 25.636 -9.810 7.979 22 H SER 6 H SER 6 26.273 -7.376 7.791 23 HA SER 6 HA SER 6 23.397 -6.991 7.503 24 HB2 SER 6 1HB SER 6 25.401 -4.762 7.775 25 HB3 SER 6 2HB SER 6 23.901 -4.532 6.877 26 HG SER 6 HG SER 6 24.322 -4.761 9.591 27 H GLY 7 H GLY 7 22.780 -7.315 5.463 28 HA2 GLY 7 1HA GLY 7 24.666 -6.755 3.287 29 HA3 GLY 7 2HA GLY 7 24.027 -8.386 3.432 30 HA PRO 8 HA PRO 8 20.555 -7.279 1.002 31 HB2 PRO 8 1HB PRO 8 18.605 -8.823 2.089 32 HB3 PRO 8 2HB PRO 8 19.916 -9.483 1.105 33 HG2 PRO 8 1HG PRO 8 19.641 -9.401 4.085 34 HG3 PRO 8 2HG PRO 8 20.203 -10.726 3.050 35 HD2 PRO 8 1HD PRO 8 21.905 -9.116 4.408 36 HD3 PRO 8 2HD PRO 8 22.316 -9.830 2.836 37 H VAL 9 H VAL 9 18.802 -5.911 0.943 38 HA VAL 9 HA VAL 9 18.406 -4.217 3.217 39 HB VAL 9 HB VAL 9 16.952 -4.289 0.569 40 HG11 VAL 9 1HG1 VAL 9 15.815 -3.202 2.621 41 HG12 VAL 9 2HG1 VAL 9 17.032 -1.940 2.423 42 HG13 VAL 9 3HG1 VAL 9 15.904 -2.292 1.114 43 HG21 VAL 9 1HG2 VAL 9 19.555 -3.659 0.980 44 HG22 VAL 9 2HG2 VAL 9 18.557 -2.973 -0.303 45 HG23 VAL 9 3HG2 VAL 9 18.790 -2.086 1.204 46 H ARG 10 H ARG 10 17.076 -4.601 4.849 47 HA ARG 10 HA ARG 10 14.842 -6.463 4.460 48 HB2 ARG 10 1HB ARG 10 16.125 -5.459 7.007 49 HB3 ARG 10 2HB ARG 10 14.806 -6.619 6.923 50 HG2 ARG 10 1HG ARG 10 16.215 -8.226 5.828 51 HG3 ARG 10 2HG ARG 10 17.528 -7.053 5.717 52 HD2 ARG 10 1HD ARG 10 17.286 -6.940 8.304 53 HD3 ARG 10 2HD ARG 10 16.464 -8.488 8.114 54 HE ARG 10 HE ARG 10 19.273 -7.986 7.875 55 HH11 ARG 10 2HH1 ARG 10 16.662 -10.043 6.840 56 HH12 ARG 10 1HH1 ARG 10 17.690 -11.395 6.496 57 HH21 ARG 10 2HH2 ARG 10 20.637 -9.759 7.426 58 HH22 ARG 10 1HH2 ARG 10 19.950 -11.233 6.831 59 H PHE 11 H PHE 11 12.822 -5.977 5.666 60 HA PHE 11 HA PHE 11 11.910 -3.351 5.004 61 HB2 PHE 11 1HB PHE 11 10.690 -5.835 6.096 62 HB3 PHE 11 2HB PHE 11 9.844 -4.321 6.398 63 HD1 PHE 11 2HD PHE 11 9.330 -2.843 4.367 64 HD2 PHE 11 1HD PHE 11 10.426 -6.946 4.080 65 HE1 PHE 11 2HE PHE 11 8.343 -2.945 2.115 66 HE2 PHE 11 1HE PHE 11 9.441 -7.055 1.828 67 HZ PHE 11 HZ PHE 11 8.397 -5.053 0.843 68 H GLN 12 H GLN 12 12.974 -1.841 6.244 69 HA GLN 12 HA GLN 12 13.278 -2.055 9.063 70 HB2 GLN 12 1HB GLN 12 14.577 -0.599 7.319 71 HB3 GLN 12 2HB GLN 12 13.306 0.576 7.631 72 HG2 GLN 12 1HG GLN 12 15.356 -0.512 9.523 73 HG3 GLN 12 2HG GLN 12 15.045 1.163 9.072 74 HE21 GLN 12 1HE2 GLN 12 12.768 1.909 9.628 75 HE22 GLN 12 2HE2 GLN 12 12.183 1.465 11.192 76 H GLU 13 H GLU 13 11.300 0.216 7.144 77 HA GLU 13 HA GLU 13 9.381 0.262 9.381 78 HB2 GLU 13 1HB GLU 13 10.788 2.394 8.676 79 HB3 GLU 13 2HB GLU 13 9.539 2.527 7.445 80 HG2 GLU 13 1HG GLU 13 7.840 2.454 9.269 81 HG3 GLU 13 2HG GLU 13 9.166 2.535 10.428 82 H ALA 14 H ALA 14 8.867 -1.726 7.803 83 HA ALA 14 HA ALA 14 7.614 -1.448 5.380 84 HB1 ALA 14 1HB ALA 14 6.080 -3.339 6.774 85 HB2 ALA 14 2HB ALA 14 7.460 -3.636 5.716 86 HB3 ALA 14 3HB ALA 14 7.707 -3.430 7.450 87 H LEU 15 H LEU 15 5.111 -1.959 5.149 88 HA LEU 15 HA LEU 15 3.744 0.402 5.739 89 HB2 LEU 15 1HB LEU 15 2.453 -2.261 5.201 90 HB3 LEU 15 2HB LEU 15 1.791 -0.660 4.878 91 HG LEU 15 HG LEU 15 4.273 -1.598 3.483 92 HD11 LEU 15 1HD1 LEU 15 3.129 -2.770 1.882 93 HD12 LEU 15 2HD1 LEU 15 1.600 -1.960 2.222 94 HD13 LEU 15 3HD1 LEU 15 2.204 -3.200 3.321 95 HD21 LEU 15 1HD2 LEU 15 2.084 0.371 2.834 96 HD22 LEU 15 2HD2 LEU 15 3.398 -0.062 1.740 97 HD23 LEU 15 3HD2 LEU 15 3.753 0.738 3.271 98 H LYS 16 H LYS 16 1.421 0.177 6.824 99 HA LYS 16 HA LYS 16 1.426 -1.400 9.244 100 HB2 LYS 16 1HB LYS 16 1.658 1.610 9.327 101 HB3 LYS 16 2HB LYS 16 1.114 0.645 10.693 102 HG2 LYS 16 1HG LYS 16 3.335 -0.630 10.388 103 HG3 LYS 16 2HG LYS 16 3.824 0.775 9.437 104 HD2 LYS 16 1HD LYS 16 2.615 1.222 12.122 105 HD3 LYS 16 2HD LYS 16 4.281 0.647 12.033 106 HE2 LYS 16 1HE LYS 16 4.648 2.900 11.998 107 HE3 LYS 16 2HE LYS 16 4.491 2.599 10.269 108 HZ1 LYS 16 1HZ LYS 16 1.965 3.058 10.868 109 HZ2 LYS 16 2HZ LYS 16 3.038 4.300 10.457 110 HZ3 LYS 16 3HZ LYS 16 2.684 3.991 12.083 111 H ASP 17 H ASP 17 -0.596 -1.179 10.457 112 HA ASP 17 HA ASP 17 -2.842 -1.165 8.757 113 HB2 ASP 17 1HB ASP 17 -2.636 -1.071 11.772 114 HB3 ASP 17 2HB ASP 17 -4.152 -1.279 10.899 115 H LEU 18 H LEU 18 -4.180 0.406 8.125 116 HA LEU 18 HA LEU 18 -3.994 3.017 9.478 117 HB2 LEU 18 1HB LEU 18 -4.361 2.475 6.536 118 HB3 LEU 18 2HB LEU 18 -4.426 4.067 7.290 119 HG LEU 18 HG LEU 18 -1.955 2.430 7.610 120 HD11 LEU 18 1HD1 LEU 18 -2.708 2.416 5.169 121 HD12 LEU 18 2HD1 LEU 18 -1.081 2.998 5.519 122 HD13 LEU 18 3HD1 LEU 18 -2.376 4.148 5.187 123 HD21 LEU 18 1HD2 LEU 18 -2.343 4.623 8.757 124 HD22 LEU 18 2HD2 LEU 18 -2.354 5.383 7.165 125 HD23 LEU 18 3HD2 LEU 18 -0.902 4.564 7.742 126 H GLU 19 H GLU 19 -5.869 4.028 9.983 127 HA GLU 19 HA GLU 19 -8.359 2.638 9.247 128 HB2 GLU 19 1HB GLU 19 -7.824 2.588 11.658 129 HB3 GLU 19 2HB GLU 19 -7.807 4.346 11.680 130 HG2 GLU 19 1HG GLU 19 -10.076 4.513 11.536 131 HG3 GLU 19 2HG GLU 19 -10.247 2.979 10.685 132 H VAL 20 H VAL 20 -9.369 3.690 7.669 133 HA VAL 20 HA VAL 20 -9.746 6.588 7.943 134 HB VAL 20 HB VAL 20 -9.055 5.243 5.327 135 HG11 VAL 20 1HG1 VAL 20 -10.263 7.023 4.607 136 HG12 VAL 20 2HG1 VAL 20 -9.990 7.948 6.084 137 HG13 VAL 20 3HG1 VAL 20 -8.727 7.851 4.857 138 HG21 VAL 20 1HG2 VAL 20 -6.890 5.824 5.572 139 HG22 VAL 20 2HG2 VAL 20 -7.275 7.309 6.442 140 HG23 VAL 20 3HG2 VAL 20 -7.277 5.764 7.292 141 H LEU 21 H LEU 21 -11.661 7.401 7.028 142 HA LEU 21 HA LEU 21 -13.832 5.533 6.993 143 HB2 LEU 21 1HB LEU 21 -13.741 8.027 7.779 144 HB3 LEU 21 2HB LEU 21 -14.104 8.365 6.088 145 HG LEU 21 HG LEU 21 -15.847 6.465 7.589 146 HD11 LEU 21 1HD1 LEU 21 -15.683 9.418 7.998 147 HD12 LEU 21 2HD1 LEU 21 -15.953 8.133 9.175 148 HD13 LEU 21 3HD1 LEU 21 -17.246 8.603 8.072 149 HD21 LEU 21 1HD2 LEU 21 -15.832 7.437 5.032 150 HD22 LEU 21 2HD2 LEU 21 -16.991 8.499 5.831 151 HD23 LEU 21 3HD2 LEU 21 -17.232 6.751 5.856 152 H GLU 22 H GLU 22 -15.294 5.157 5.267 153 HA GLU 22 HA GLU 22 -14.083 4.648 2.787 154 HB2 GLU 22 1HB GLU 22 -16.202 3.890 2.052 155 HB3 GLU 22 2HB GLU 22 -16.127 3.515 3.768 156 HG2 GLU 22 1HG GLU 22 -17.665 5.138 4.329 157 HG3 GLU 22 2HG GLU 22 -17.375 6.068 2.860 158 H GLY 23 H GLY 23 -15.400 5.437 0.702 159 HA2 GLY 23 1HA GLY 23 -15.588 7.173 -0.791 160 HA3 GLY 23 2HA GLY 23 -16.459 7.982 0.503 161 H GLY 24 H GLY 24 -13.039 7.036 0.286 162 HA2 GLY 24 1HA GLY 24 -12.253 9.834 0.058 163 HA3 GLY 24 2HA GLY 24 -11.800 9.020 1.548 164 H ALA 25 H ALA 25 -9.610 9.036 1.267 165 HA ALA 25 HA ALA 25 -8.595 7.244 -0.818 166 HB1 ALA 25 1HB ALA 25 -7.715 10.070 -0.341 167 HB2 ALA 25 2HB ALA 25 -6.631 8.879 -1.061 168 HB3 ALA 25 3HB ALA 25 -8.151 9.284 -1.858 169 H ALA 26 H ALA 26 -6.961 5.937 -0.168 170 HA ALA 26 HA ALA 26 -5.975 6.316 2.584 171 HB1 ALA 26 1HB ALA 26 -5.933 3.656 1.228 172 HB2 ALA 26 2HB ALA 26 -6.028 4.041 2.947 173 HB3 ALA 26 3HB ALA 26 -7.440 4.265 1.915 174 H THR 27 H THR 27 -3.954 7.032 2.614 175 HA THR 27 HA THR 27 -2.118 6.216 0.468 176 HB THR 27 HB THR 27 -1.814 8.501 2.426 177 HG1 THR 27 1HG THR 27 -2.444 9.799 0.698 178 HG21 THR 27 1HG2 THR 27 0.085 7.206 0.812 179 HG22 THR 27 2HG2 THR 27 0.266 8.740 1.663 180 HG23 THR 27 3HG2 THR 27 -0.298 8.719 -0.007 181 H LEU 28 H LEU 28 -0.659 4.715 0.922 182 HA LEU 28 HA LEU 28 -0.028 4.141 3.725 183 HB2 LEU 28 1HB LEU 28 0.333 2.566 1.188 184 HB3 LEU 28 2HB LEU 28 1.025 2.067 2.731 185 HG LEU 28 HG LEU 28 -1.416 2.172 3.588 186 HD11 LEU 28 1HD1 LEU 28 -2.521 3.237 1.801 187 HD12 LEU 28 2HD1 LEU 28 -3.012 1.546 1.725 188 HD13 LEU 28 3HD1 LEU 28 -1.796 2.161 0.606 189 HD21 LEU 28 1HD2 LEU 28 0.075 0.147 3.114 190 HD22 LEU 28 2HD2 LEU 28 -0.836 -0.013 1.613 191 HD23 LEU 28 3HD2 LEU 28 -1.668 -0.114 3.165 192 H ARG 29 H ARG 29 2.248 3.486 4.199 193 HA ARG 29 HA ARG 29 4.290 4.643 2.496 194 HB2 ARG 29 1HB ARG 29 3.405 5.863 5.060 195 HB3 ARG 29 2HB ARG 29 5.135 5.812 4.745 196 HG2 ARG 29 1HG ARG 29 4.687 6.938 2.559 197 HG3 ARG 29 2HG ARG 29 3.012 7.138 3.079 198 HD2 ARG 29 1HD ARG 29 5.398 8.156 4.614 199 HD3 ARG 29 2HD ARG 29 4.463 9.129 3.479 200 HE ARG 29 HE ARG 29 2.555 8.279 5.137 201 HH11 ARG 29 2HH1 ARG 29 5.699 9.634 5.770 202 HH12 ARG 29 1HH1 ARG 29 5.228 10.360 7.271 203 HH21 ARG 29 2HH2 ARG 29 1.923 9.229 7.111 204 HH22 ARG 29 1HH2 ARG 29 3.080 10.128 8.033 205 H CYS 30 H CYS 30 6.412 3.976 3.040 206 HA CYS 30 HA CYS 30 7.055 2.437 5.310 207 HB2 CYS 30 1HB CYS 30 7.321 0.224 4.160 208 HB3 CYS 30 2HB CYS 30 5.650 0.720 4.397 209 HG CYS 30 HG CYS 30 5.182 1.421 1.779 210 H VAL 31 H VAL 31 9.192 2.542 5.547 211 HA VAL 31 HA VAL 31 10.812 3.227 3.192 212 HB VAL 31 HB VAL 31 11.391 3.620 6.131 213 HG11 VAL 31 1HG1 VAL 31 13.538 3.654 5.543 214 HG12 VAL 31 2HG1 VAL 31 13.142 3.572 3.825 215 HG13 VAL 31 3HG1 VAL 31 13.183 5.131 4.649 216 HG21 VAL 31 1HG2 VAL 31 10.403 5.392 3.945 217 HG22 VAL 31 2HG2 VAL 31 9.895 5.294 5.631 218 HG23 VAL 31 3HG2 VAL 31 11.419 6.076 5.214 219 H LEU 32 H LEU 32 12.611 2.067 2.636 220 HA LEU 32 HA LEU 32 12.819 -0.594 3.811 221 HB2 LEU 32 1HB LEU 32 14.215 0.537 1.392 222 HB3 LEU 32 2HB LEU 32 14.154 -1.157 1.877 223 HG LEU 32 HG LEU 32 12.679 -0.697 -0.017 224 HD11 LEU 32 1HD1 LEU 32 11.874 -2.502 1.146 225 HD12 LEU 32 2HD1 LEU 32 10.486 -1.417 1.220 226 HD13 LEU 32 3HD1 LEU 32 11.564 -1.564 2.608 227 HD21 LEU 32 1HD2 LEU 32 10.952 0.963 1.782 228 HD22 LEU 32 2HD2 LEU 32 10.923 0.826 0.024 229 HD23 LEU 32 3HD2 LEU 32 12.232 1.701 0.819 230 H SER 33 H SER 33 14.873 -1.512 4.381 231 HA SER 33 HA SER 33 16.364 -0.123 6.185 232 HB2 SER 33 1HB SER 33 16.529 -2.547 5.942 233 HB3 SER 33 2HB SER 33 17.336 -2.357 4.386 234 HG SER 33 HG SER 33 19.059 -2.445 5.608 235 H SER 34 H SER 34 16.571 0.047 2.742 236 HA SER 34 HA SER 34 18.395 2.270 2.911 237 HB2 SER 34 1HB SER 34 19.733 0.001 2.799 238 HB3 SER 34 2HB SER 34 19.317 0.082 1.087 239 HG SER 34 HG SER 34 20.157 2.417 1.472 240 H VAL 35 H VAL 35 18.513 3.485 0.968 241 HA VAL 35 HA VAL 35 16.164 3.701 -0.477 242 HB VAL 35 HB VAL 35 18.896 4.522 -1.470 243 HG11 VAL 35 1HG1 VAL 35 16.467 4.624 -2.755 244 HG12 VAL 35 2HG1 VAL 35 16.615 6.237 -2.055 245 HG13 VAL 35 3HG1 VAL 35 17.874 5.620 -3.125 246 HG21 VAL 35 1HG2 VAL 35 17.792 5.272 0.911 247 HG22 VAL 35 2HG2 VAL 35 18.947 6.230 -0.016 248 HG23 VAL 35 3HG2 VAL 35 17.218 6.539 -0.173 249 H ALA 36 H ALA 36 15.293 2.107 -1.645 250 HA ALA 36 HA ALA 36 16.905 0.949 -3.804 251 HB1 ALA 36 1HB ALA 36 16.014 -1.277 -3.377 252 HB2 ALA 36 2HB ALA 36 16.908 -0.679 -1.979 253 HB3 ALA 36 3HB ALA 36 15.144 -0.670 -1.967 254 H ALA 37 H ALA 37 15.850 0.736 -5.708 255 HA ALA 37 HA ALA 37 13.060 0.449 -6.001 256 HB1 ALA 37 1HB ALA 37 13.203 2.938 -7.218 257 HB2 ALA 37 2HB ALA 37 12.363 2.543 -5.718 258 HB3 ALA 37 3HB ALA 37 14.014 3.160 -5.667 259 HA PRO 38 HA PRO 38 11.694 1.751 -7.778 260 HB2 PRO 38 1HB PRO 38 10.217 0.298 -9.532 261 HB3 PRO 38 2HB PRO 38 11.036 1.800 -9.978 262 HG2 PRO 38 1HG PRO 38 11.893 -1.032 -10.434 263 HG3 PRO 38 2HG PRO 38 11.967 0.351 -11.541 264 HD2 PRO 38 1HD PRO 38 14.125 -0.528 -10.163 265 HD3 PRO 38 2HD PRO 38 13.888 1.182 -10.576 266 H VAL 39 H VAL 39 9.585 0.553 -7.226 267 HA VAL 39 HA VAL 39 10.259 -1.998 -5.910 268 HB VAL 39 HB VAL 39 8.220 0.027 -4.981 269 HG11 VAL 39 1HG1 VAL 39 8.159 -1.320 -2.943 270 HG12 VAL 39 2HG1 VAL 39 7.699 -2.276 -4.353 271 HG13 VAL 39 3HG1 VAL 39 9.308 -2.454 -3.652 272 HG21 VAL 39 1HG2 VAL 39 11.080 -0.428 -4.212 273 HG22 VAL 39 2HG2 VAL 39 10.254 1.087 -4.578 274 HG23 VAL 39 3HG2 VAL 39 9.927 0.248 -3.061 275 H LYS 40 H LYS 40 8.669 -3.620 -5.837 276 HA LYS 40 HA LYS 40 6.644 -3.379 -7.953 277 HB2 LYS 40 1HB LYS 40 8.224 -5.183 -8.307 278 HB3 LYS 40 2HB LYS 40 7.917 -5.816 -6.696 279 HG2 LYS 40 1HG LYS 40 5.922 -6.747 -7.287 280 HG3 LYS 40 2HG LYS 40 5.618 -5.560 -8.558 281 HD2 LYS 40 1HD LYS 40 7.892 -7.474 -8.848 282 HD3 LYS 40 2HD LYS 40 6.247 -8.027 -9.170 283 HE2 LYS 40 1HE LYS 40 6.858 -7.310 -11.257 284 HE3 LYS 40 2HE LYS 40 6.140 -5.834 -10.613 285 HZ1 LYS 40 1HZ LYS 40 8.960 -6.142 -10.064 286 HZ2 LYS 40 2HZ LYS 40 8.104 -4.789 -10.609 287 HZ3 LYS 40 3HZ LYS 40 8.584 -5.983 -11.706 288 H TRP 41 H TRP 41 4.511 -3.714 -7.555 289 HA TRP 41 HA TRP 41 3.756 -4.173 -4.744 290 HB2 TRP 41 1HB TRP 41 2.586 -2.407 -6.870 291 HB3 TRP 41 2HB TRP 41 1.577 -2.983 -5.545 292 HD1 TRP 41 HD TRP 41 4.763 -0.877 -6.131 293 HE1 TRP 41 1HE TRP 41 5.014 0.758 -4.159 294 HE3 TRP 41 3HE TRP 41 0.897 -2.521 -3.216 295 HZ2 TRP 41 2HZ TRP 41 3.743 1.281 -1.694 296 HZ3 TRP 41 3HZ TRP 41 0.482 -1.399 -1.066 297 HH2 TRP 41 HH TRP 41 1.877 0.462 -0.322 298 H CYS 42 H CYS 42 3.143 -6.231 -4.532 299 HA CYS 42 HA CYS 42 1.334 -7.352 -6.571 300 HB2 CYS 42 1HB CYS 42 2.250 -9.518 -6.194 301 HB3 CYS 42 2HB CYS 42 3.616 -8.427 -6.389 302 HG CYS 42 HG CYS 42 2.486 -9.242 -3.280 303 H TYR 43 H TYR 43 -0.651 -7.812 -5.903 304 HA TYR 43 HA TYR 43 -1.094 -8.397 -3.056 305 HB2 TYR 43 1HB TYR 43 -1.890 -6.220 -3.097 306 HB3 TYR 43 2HB TYR 43 -2.438 -6.341 -4.766 307 HD1 TYR 43 2HD TYR 43 -3.163 -8.088 -1.533 308 HD2 TYR 43 1HD TYR 43 -4.718 -6.234 -5.033 309 HE1 TYR 43 2HE TYR 43 -5.450 -8.531 -0.745 310 HE2 TYR 43 1HE TYR 43 -7.009 -6.671 -4.253 311 HH TYR 43 HH TYR 43 -7.947 -8.720 -2.354 312 H GLY 44 H GLY 44 -1.404 -10.571 -3.345 313 HA2 GLY 44 1HA GLY 44 -2.830 -12.389 -3.598 314 HA3 GLY 44 2HA GLY 44 -3.963 -11.345 -4.444 315 H ASN 45 H ASN 45 -4.205 -13.214 -5.873 316 HA ASN 45 HA ASN 45 -2.265 -14.408 -7.398 317 HB2 ASN 45 1HB ASN 45 -4.741 -14.931 -7.371 318 HB3 ASN 45 2HB ASN 45 -4.960 -13.591 -8.493 319 HD21 ASN 45 1HD2 ASN 45 -3.119 -16.581 -8.063 320 HD22 ASN 45 2HD2 ASN 45 -3.098 -17.014 -9.735 321 H ASN 46 H ASN 46 -4.259 -11.705 -8.605 322 HA ASN 46 HA ASN 46 -2.460 -11.137 -10.737 323 HB2 ASN 46 1HB ASN 46 -4.855 -9.709 -9.597 324 HB3 ASN 46 2HB ASN 46 -3.894 -9.002 -10.893 325 HD21 ASN 46 1HD2 ASN 46 -6.052 -11.571 -9.994 326 HD22 ASN 46 2HD2 ASN 46 -6.424 -12.092 -11.599 327 H VAL 47 H VAL 47 -1.630 -8.824 -11.038 328 HA VAL 47 HA VAL 47 -0.373 -7.928 -8.526 329 HB VAL 47 HB VAL 47 1.259 -8.940 -10.051 330 HG11 VAL 47 1HG1 VAL 47 0.359 -8.644 -12.195 331 HG12 VAL 47 2HG1 VAL 47 0.179 -6.902 -11.974 332 HG13 VAL 47 3HG1 VAL 47 1.785 -7.607 -12.166 333 HG21 VAL 47 1HG2 VAL 47 1.668 -5.959 -10.018 334 HG22 VAL 47 2HG2 VAL 47 1.798 -6.961 -8.572 335 HG23 VAL 47 3HG2 VAL 47 2.891 -7.228 -9.931 336 H LEU 48 H LEU 48 -0.188 -5.728 -8.147 337 HA LEU 48 HA LEU 48 -2.115 -4.081 -9.544 338 HB2 LEU 48 1HB LEU 48 -0.291 -3.332 -7.267 339 HB3 LEU 48 2HB LEU 48 -1.718 -2.455 -7.815 340 HG LEU 48 HG LEU 48 -1.811 -5.224 -6.628 341 HD11 LEU 48 1HD1 LEU 48 -1.604 -4.356 -4.601 342 HD12 LEU 48 2HD1 LEU 48 -2.925 -3.234 -4.924 343 HD13 LEU 48 3HD1 LEU 48 -1.268 -2.780 -5.318 344 HD21 LEU 48 1HD2 LEU 48 -3.938 -3.156 -7.174 345 HD22 LEU 48 2HD2 LEU 48 -4.194 -4.687 -6.337 346 HD23 LEU 48 3HD2 LEU 48 -3.710 -4.679 -8.033 347 H ARG 49 H ARG 49 -1.647 -2.070 -10.520 348 HA ARG 49 HA ARG 49 1.162 -1.511 -11.122 349 HB2 ARG 49 1HB ARG 49 -1.008 -1.910 -13.185 350 HB3 ARG 49 2HB ARG 49 0.537 -1.146 -13.532 351 HG2 ARG 49 1HG ARG 49 1.657 -3.243 -12.768 352 HG3 ARG 49 2HG ARG 49 0.059 -3.985 -12.665 353 HD2 ARG 49 1HD ARG 49 0.651 -4.620 -14.779 354 HD3 ARG 49 2HD ARG 49 -0.141 -3.085 -15.133 355 HE ARG 49 HE ARG 49 2.694 -2.869 -14.682 356 HH11 ARG 49 2HH1 ARG 49 0.189 -3.445 -17.030 357 HH12 ARG 49 1HH1 ARG 49 1.161 -2.957 -18.379 358 HH21 ARG 49 2HH2 ARG 49 3.983 -2.224 -16.450 359 HH22 ARG 49 1HH2 ARG 49 3.319 -2.264 -18.048 360 HA PRO 50 HA PRO 50 -0.047 2.664 -10.470 361 HB2 PRO 50 1HB PRO 50 1.869 3.937 -11.911 362 HB3 PRO 50 2HB PRO 50 2.196 3.149 -10.363 363 HG2 PRO 50 1HG PRO 50 2.680 2.142 -13.140 364 HG3 PRO 50 2HG PRO 50 3.729 2.039 -11.714 365 HD2 PRO 50 1HD PRO 50 2.214 -0.040 -12.561 366 HD3 PRO 50 2HD PRO 50 2.585 0.235 -10.847 367 H GLY 51 H GLY 51 -1.519 3.988 -11.356 368 HA2 GLY 51 1HA GLY 51 -1.518 4.818 -14.059 369 HA3 GLY 51 2HA GLY 51 -2.677 3.514 -13.850 370 H ASP 52 H ASP 52 -4.651 4.347 -13.776 371 HA ASP 52 HA ASP 52 -5.095 6.976 -12.615 372 HB2 ASP 52 1HB ASP 52 -7.310 6.841 -13.559 373 HB3 ASP 52 2HB ASP 52 -6.154 6.311 -14.778 374 H LYS 53 H LYS 53 -6.299 3.659 -12.164 375 HA LYS 53 HA LYS 53 -7.913 4.204 -9.929 376 HB2 LYS 53 1HB LYS 53 -8.135 2.146 -11.221 377 HB3 LYS 53 2HB LYS 53 -6.524 1.640 -10.731 378 HG2 LYS 53 1HG LYS 53 -7.760 0.439 -9.255 379 HG3 LYS 53 2HG LYS 53 -7.556 1.919 -8.316 380 HD2 LYS 53 1HD LYS 53 -9.733 2.679 -8.878 381 HD3 LYS 53 2HD LYS 53 -9.921 1.434 -10.116 382 HE2 LYS 53 1HE LYS 53 -9.607 0.858 -7.174 383 HE3 LYS 53 2HE LYS 53 -11.164 0.992 -7.991 384 HZ1 LYS 53 1HZ LYS 53 -10.743 -1.264 -8.021 385 HZ2 LYS 53 2HZ LYS 53 -9.086 -1.074 -8.302 386 HZ3 LYS 53 3HZ LYS 53 -10.193 -0.788 -9.548 387 H TYR 54 H TYR 54 -4.693 2.665 -10.014 388 HA TYR 54 HA TYR 54 -4.319 3.491 -7.217 389 HB2 TYR 54 1HB TYR 54 -3.018 1.304 -8.843 390 HB3 TYR 54 2HB TYR 54 -2.465 1.776 -7.240 391 HD1 TYR 54 1HD TYR 54 -4.650 2.002 -5.547 392 HD2 TYR 54 2HD TYR 54 -4.241 -0.641 -8.856 393 HE1 TYR 54 1HE TYR 54 -6.293 0.481 -4.528 394 HE2 TYR 54 2HE TYR 54 -5.884 -2.168 -7.847 395 HH TYR 54 HH TYR 54 -7.400 -1.430 -4.718 396 H SER 55 H SER 55 -2.112 4.133 -6.588 397 HA SER 55 HA SER 55 -0.568 5.356 -8.763 398 HB2 SER 55 1HB SER 55 -1.882 6.740 -6.477 399 HB3 SER 55 2HB SER 55 -0.272 7.291 -6.940 400 HG SER 55 HG SER 55 -2.659 7.312 -8.427 401 H LEU 56 H LEU 56 1.356 4.411 -8.644 402 HA LEU 56 HA LEU 56 2.534 3.949 -5.984 403 HB2 LEU 56 1HB LEU 56 3.377 2.547 -8.498 404 HB3 LEU 56 2HB LEU 56 3.685 2.084 -6.826 405 HG LEU 56 HG LEU 56 0.925 2.065 -8.022 406 HD11 LEU 56 1HD1 LEU 56 2.083 -0.546 -7.714 407 HD12 LEU 56 2HD1 LEU 56 3.050 0.431 -8.818 408 HD13 LEU 56 3HD1 LEU 56 1.331 0.188 -9.131 409 HD21 LEU 56 1HD2 LEU 56 2.184 0.816 -5.587 410 HD22 LEU 56 2HD2 LEU 56 0.576 0.404 -6.185 411 HD23 LEU 56 3HD2 LEU 56 0.920 2.045 -5.636 412 H ARG 57 H ARG 57 4.046 5.387 -5.497 413 HA ARG 57 HA ARG 57 6.004 6.130 -7.545 414 HB2 ARG 57 1HB ARG 57 5.900 8.474 -6.953 415 HB3 ARG 57 2HB ARG 57 4.302 7.926 -7.440 416 HG2 ARG 57 1HG ARG 57 3.739 7.673 -5.020 417 HG3 ARG 57 2HG ARG 57 5.283 8.440 -4.645 418 HD2 ARG 57 1HD ARG 57 3.461 10.061 -4.596 419 HD3 ARG 57 2HD ARG 57 4.605 10.428 -5.886 420 HE ARG 57 HE ARG 57 1.852 9.573 -6.182 421 HH11 ARG 57 2HH1 ARG 57 4.945 10.070 -7.701 422 HH12 ARG 57 1HH1 ARG 57 4.290 10.155 -9.303 423 HH21 ARG 57 2HH2 ARG 57 0.978 9.684 -8.286 424 HH22 ARG 57 1HH2 ARG 57 2.034 9.936 -9.635 425 H GLN 58 H GLN 58 8.005 5.854 -6.820 426 HA GLN 58 HA GLN 58 8.427 5.557 -3.938 427 HB2 GLN 58 1HB GLN 58 9.152 3.774 -5.594 428 HB3 GLN 58 2HB GLN 58 10.383 4.906 -6.140 429 HG2 GLN 58 1HG GLN 58 10.209 4.286 -3.239 430 HG3 GLN 58 2HG GLN 58 10.901 3.082 -4.325 431 HE21 GLN 58 1HE2 GLN 58 12.738 3.634 -2.800 432 HE22 GLN 58 2HE2 GLN 58 13.814 4.883 -3.316 433 H GLU 59 H GLU 59 9.959 6.722 -2.807 434 HA GLU 59 HA GLU 59 11.633 8.657 -4.135 435 HB2 GLU 59 1HB GLU 59 9.375 9.575 -2.348 436 HB3 GLU 59 2HB GLU 59 10.693 10.598 -2.900 437 HG2 GLU 59 1HG GLU 59 9.947 9.969 -5.263 438 HG3 GLU 59 2HG GLU 59 8.469 9.386 -4.497 439 H GLY 60 H GLY 60 13.465 8.911 -3.017 440 HA2 GLY 60 1HA GLY 60 15.012 8.320 -1.381 441 HA3 GLY 60 2HA GLY 60 13.984 9.395 -0.444 442 H ALA 61 H ALA 61 13.886 6.021 -1.602 443 HA ALA 61 HA ALA 61 13.230 4.092 -0.578 444 HB1 ALA 61 1HB ALA 61 14.584 3.563 1.125 445 HB2 ALA 61 2HB ALA 61 15.267 5.172 0.881 446 HB3 ALA 61 3HB ALA 61 14.031 4.916 2.113 447 H MET 62 H MET 62 11.123 5.780 -0.896 448 HA MET 62 HA MET 62 9.484 5.100 1.421 449 HB2 MET 62 1HB MET 62 10.281 7.456 1.714 450 HB3 MET 62 2HB MET 62 9.456 7.871 0.217 451 HG2 MET 62 1HG MET 62 7.959 8.510 1.863 452 HG3 MET 62 2HG MET 62 7.355 6.938 1.343 453 HE1 MET 62 1HE MET 62 7.566 8.583 5.030 454 HE2 MET 62 2HE MET 62 9.311 8.336 5.080 455 HE3 MET 62 3HE MET 62 8.582 9.205 3.729 456 H LEU 63 H LEU 63 7.629 4.203 0.797 457 HA LEU 63 HA LEU 63 6.853 4.428 -2.018 458 HB2 LEU 63 1HB LEU 63 6.195 2.457 0.150 459 HB3 LEU 63 2HB LEU 63 5.303 2.506 -1.369 460 HG LEU 63 HG LEU 63 6.858 0.801 -1.678 461 HD11 LEU 63 1HD1 LEU 63 6.851 2.726 -3.403 462 HD12 LEU 63 2HD1 LEU 63 8.115 1.500 -3.492 463 HD13 LEU 63 3HD1 LEU 63 8.463 3.074 -2.777 464 HD21 LEU 63 1HD2 LEU 63 8.178 1.387 0.371 465 HD22 LEU 63 2HD2 LEU 63 9.058 2.560 -0.609 466 HD23 LEU 63 3HD2 LEU 63 9.141 0.842 -1.002 467 H GLU 64 H GLU 64 4.528 4.545 -2.525 468 HA GLU 64 HA GLU 64 2.768 5.620 -0.502 469 HB2 GLU 64 1HB GLU 64 4.290 7.499 -1.577 470 HB3 GLU 64 2HB GLU 64 3.121 7.383 -2.885 471 HG2 GLU 64 1HG GLU 64 1.353 8.074 -1.521 472 HG3 GLU 64 2HG GLU 64 2.262 7.772 -0.042 473 H LEU 65 H LEU 65 0.969 4.512 -0.862 474 HA LEU 65 HA LEU 65 0.123 4.070 -3.650 475 HB2 LEU 65 1HB LEU 65 0.559 1.947 -2.815 476 HB3 LEU 65 2HB LEU 65 -0.060 2.345 -1.213 477 HG LEU 65 HG LEU 65 -2.358 2.486 -2.396 478 HD11 LEU 65 1HD1 LEU 65 -2.255 0.638 -4.278 479 HD12 LEU 65 2HD1 LEU 65 -0.624 1.275 -4.481 480 HD13 LEU 65 3HD1 LEU 65 -2.015 2.347 -4.645 481 HD21 LEU 65 1HD2 LEU 65 -2.452 -0.112 -2.316 482 HD22 LEU 65 2HD2 LEU 65 -2.145 0.798 -0.836 483 HD23 LEU 65 3HD2 LEU 65 -0.808 0.030 -1.692 484 H VAL 66 H VAL 66 -1.392 5.544 -4.091 485 HA VAL 66 HA VAL 66 -3.321 6.318 -2.040 486 HB VAL 66 HB VAL 66 -2.905 7.416 -4.824 487 HG11 VAL 66 1HG1 VAL 66 -4.501 8.656 -2.598 488 HG12 VAL 66 2HG1 VAL 66 -4.450 9.121 -4.300 489 HG13 VAL 66 3HG1 VAL 66 -5.226 7.611 -3.820 490 HG21 VAL 66 1HG2 VAL 66 -1.875 8.203 -2.130 491 HG22 VAL 66 2HG2 VAL 66 -1.017 8.087 -3.667 492 HG23 VAL 66 3HG2 VAL 66 -2.125 9.428 -3.374 493 H VAL 67 H VAL 67 -5.257 5.410 -1.917 494 HA VAL 67 HA VAL 67 -6.343 4.080 -4.314 495 HB VAL 67 HB VAL 67 -6.819 3.370 -1.416 496 HG11 VAL 67 1HG1 VAL 67 -7.716 1.793 -3.807 497 HG12 VAL 67 2HG1 VAL 67 -8.239 1.649 -2.128 498 HG13 VAL 67 3HG1 VAL 67 -8.727 3.046 -3.089 499 HG21 VAL 67 1HG2 VAL 67 -5.762 1.159 -2.526 500 HG22 VAL 67 2HG2 VAL 67 -4.936 2.399 -3.470 501 HG23 VAL 67 3HG2 VAL 67 -4.801 2.394 -1.712 502 H ARG 68 H ARG 68 -7.773 5.471 -5.167 503 HA ARG 68 HA ARG 68 -9.417 7.164 -3.505 504 HB2 ARG 68 1HB ARG 68 -9.354 6.738 -6.497 505 HB3 ARG 68 2HB ARG 68 -10.368 7.922 -5.684 506 HG2 ARG 68 1HG ARG 68 -7.447 7.988 -5.159 507 HG3 ARG 68 2HG ARG 68 -8.034 8.567 -6.719 508 HD2 ARG 68 1HD ARG 68 -9.328 10.254 -5.730 509 HD3 ARG 68 2HD ARG 68 -9.241 9.504 -4.136 510 HE ARG 68 HE ARG 68 -6.647 10.123 -4.811 511 HH11 ARG 68 2HH1 ARG 68 -9.632 11.865 -4.392 512 HH12 ARG 68 1HH1 ARG 68 -8.858 13.328 -3.881 513 HH21 ARG 68 2HH2 ARG 68 -5.616 12.044 -4.139 514 HH22 ARG 68 1HH2 ARG 68 -6.574 13.429 -3.738 515 H ASN 69 H ASN 69 -11.792 7.249 -3.816 516 HA ASN 69 HA ASN 69 -13.826 6.266 -3.534 517 HB2 ASN 69 1HB ASN 69 -13.194 5.837 -6.049 518 HB3 ASN 69 2HB ASN 69 -13.080 4.158 -5.528 519 HD21 ASN 69 1HD2 ASN 69 -15.046 3.617 -3.984 520 HD22 ASN 69 2HD2 ASN 69 -16.587 4.005 -4.664 521 H LEU 70 H LEU 70 -12.286 5.547 -1.522 522 HA LEU 70 HA LEU 70 -11.747 2.809 -1.190 523 HB2 LEU 70 1HB LEU 70 -12.130 5.113 0.668 524 HB3 LEU 70 2HB LEU 70 -12.023 3.480 1.321 525 HG LEU 70 HG LEU 70 -9.896 4.711 -0.422 526 HD11 LEU 70 1HD1 LEU 70 -10.498 5.724 1.978 527 HD12 LEU 70 2HD1 LEU 70 -8.847 5.609 1.369 528 HD13 LEU 70 3HD1 LEU 70 -9.462 4.389 2.483 529 HD21 LEU 70 1HD2 LEU 70 -10.339 2.096 0.253 530 HD22 LEU 70 2HD2 LEU 70 -9.210 2.622 1.501 531 HD23 LEU 70 3HD2 LEU 70 -8.781 2.785 -0.202 532 H ARG 71 H ARG 71 -12.848 1.261 0.160 533 HA ARG 71 HA ARG 71 -15.624 1.723 0.820 534 HB2 ARG 71 1HB ARG 71 -16.333 -0.323 -0.523 535 HB3 ARG 71 2HB ARG 71 -16.019 1.148 -1.433 536 HG2 ARG 71 1HG ARG 71 -13.672 0.205 -1.799 537 HG3 ARG 71 2HG ARG 71 -14.347 -1.329 -1.245 538 HD2 ARG 71 1HD ARG 71 -14.629 -1.486 -3.529 539 HD3 ARG 71 2HD ARG 71 -16.190 -0.848 -3.015 540 HE ARG 71 HE ARG 71 -15.710 1.132 -4.085 541 HH11 ARG 71 2HH1 ARG 71 -12.853 -0.851 -3.929 542 HH12 ARG 71 1HH1 ARG 71 -11.943 0.146 -5.016 543 HH21 ARG 71 2HH2 ARG 71 -14.523 2.453 -5.516 544 HH22 ARG 71 1HH2 ARG 71 -12.894 2.026 -5.917 545 HA PRO 72 HA PRO 72 -14.700 -1.190 3.975 546 HB2 PRO 72 1HB PRO 72 -17.181 -2.157 4.503 547 HB3 PRO 72 2HB PRO 72 -16.662 -0.534 4.974 548 HG2 PRO 72 1HG PRO 72 -18.300 -1.389 2.619 549 HG3 PRO 72 2HG PRO 72 -18.537 -0.007 3.704 550 HD2 PRO 72 1HD PRO 72 -17.411 0.240 1.254 551 HD3 PRO 72 2HD PRO 72 -16.954 1.273 2.623 552 H GLN 73 H GLN 73 -16.250 -2.191 1.042 553 HA GLN 73 HA GLN 73 -16.089 -5.014 1.635 554 HB2 GLN 73 1HB GLN 73 -16.940 -5.335 -0.628 555 HB3 GLN 73 2HB GLN 73 -17.904 -4.140 0.231 556 HG2 GLN 73 1HG GLN 73 -16.860 -2.347 -0.957 557 HG3 GLN 73 2HG GLN 73 -15.703 -3.452 -1.699 558 HE21 GLN 73 1HE2 GLN 73 -16.251 -4.518 -3.516 559 HE22 GLN 73 2HE2 GLN 73 -17.776 -4.369 -4.313 560 H ASP 74 H ASP 74 -13.835 -2.764 0.897 561 HA ASP 74 HA ASP 74 -12.251 -4.514 -0.839 562 HB2 ASP 74 1HB ASP 74 -12.301 -2.291 -1.668 563 HB3 ASP 74 2HB ASP 74 -11.994 -1.609 -0.073 564 H SER 75 H SER 75 -12.485 -3.374 2.404 565 HA SER 75 HA SER 75 -9.991 -3.442 3.445 566 HB2 SER 75 1HB SER 75 -12.587 -4.495 4.534 567 HB3 SER 75 2HB SER 75 -11.101 -4.630 5.476 568 HG SER 75 HG SER 75 -11.635 -2.144 4.367 569 H GLY 76 H GLY 76 -8.419 -4.781 2.766 570 HA2 GLY 76 1HA GLY 76 -8.795 -7.646 3.287 571 HA3 GLY 76 2HA GLY 76 -8.240 -7.147 1.696 572 H ARG 77 H ARG 77 -6.281 -8.251 1.910 573 HA ARG 77 HA ARG 77 -4.420 -7.096 3.882 574 HB2 ARG 77 1HB ARG 77 -5.046 -9.625 3.954 575 HB3 ARG 77 2HB ARG 77 -3.973 -9.755 2.568 576 HG2 ARG 77 1HG ARG 77 -2.226 -8.603 4.019 577 HG3 ARG 77 2HG ARG 77 -3.305 -8.940 5.374 578 HD2 ARG 77 1HD ARG 77 -2.184 -11.001 3.478 579 HD3 ARG 77 2HD ARG 77 -1.569 -10.665 5.096 580 HE ARG 77 HE ARG 77 -4.348 -11.299 5.123 581 HH11 ARG 77 2HH1 ARG 77 -1.161 -12.689 4.940 582 HH12 ARG 77 1HH1 ARG 77 -1.644 -14.210 5.614 583 HH21 ARG 77 2HH2 ARG 77 -4.996 -13.298 6.011 584 HH22 ARG 77 1HH2 ARG 77 -3.826 -14.556 6.222 585 H TYR 78 H TYR 78 -3.277 -5.579 2.851 586 HA TYR 78 HA TYR 78 -2.474 -5.982 0.078 587 HB2 TYR 78 1HB TYR 78 -2.386 -3.624 1.948 588 HB3 TYR 78 2HB TYR 78 -1.532 -3.612 0.408 589 HD1 TYR 78 1HD TYR 78 -3.067 -4.386 -1.651 590 HD2 TYR 78 2HD TYR 78 -4.498 -2.707 1.987 591 HE1 TYR 78 1HE TYR 78 -5.128 -3.684 -2.793 592 HE2 TYR 78 2HE TYR 78 -6.564 -2.001 0.855 593 HH TYR 78 HH TYR 78 -7.294 -1.479 -1.484 594 H SER 79 H SER 79 -0.535 -6.700 -0.490 595 HA SER 79 HA SER 79 1.651 -6.550 1.482 596 HB2 SER 79 1HB SER 79 2.450 -8.699 0.765 597 HB3 SER 79 2HB SER 79 0.731 -8.868 1.117 598 HG SER 79 HG SER 79 0.484 -9.497 -0.860 599 H CYS 80 H CYS 80 3.802 -6.409 0.607 600 HA CYS 80 HA CYS 80 3.921 -5.435 -2.165 601 HB2 CYS 80 1HB CYS 80 3.929 -3.468 -0.760 602 HB3 CYS 80 2HB CYS 80 5.180 -4.156 0.267 603 HG CYS 80 HG CYS 80 5.557 -2.200 -2.266 604 H SER 81 H SER 81 5.454 -6.374 -3.346 605 HA SER 81 HA SER 81 7.281 -8.225 -2.067 606 HB2 SER 81 1HB SER 81 6.250 -9.081 -4.029 607 HB3 SER 81 2HB SER 81 6.614 -7.621 -4.949 608 HG SER 81 HG SER 81 8.635 -8.273 -5.223 609 H PHE 82 H PHE 82 9.289 -7.736 -1.509 610 HA PHE 82 HA PHE 82 10.701 -5.622 -2.988 611 HB2 PHE 82 1HB PHE 82 9.882 -4.723 -0.831 612 HB3 PHE 82 2HB PHE 82 10.760 -5.994 0.014 613 HD1 PHE 82 1HD PHE 82 11.258 -3.141 -2.314 614 HD2 PHE 82 2HD PHE 82 12.955 -5.651 0.675 615 HE1 PHE 82 1HE PHE 82 13.257 -1.709 -2.252 616 HE2 PHE 82 2HE PHE 82 14.956 -4.222 0.743 617 HZ PHE 82 HZ PHE 82 15.109 -2.248 -0.721 618 H GLY 83 H GLY 83 11.914 -7.111 -4.146 619 HA2 GLY 83 1HA GLY 83 13.752 -8.430 -4.544 620 HA3 GLY 83 2HA GLY 83 14.293 -8.021 -2.922 621 H ASP 84 H ASP 84 13.890 -9.418 -1.226 622 HA ASP 84 HA ASP 84 12.850 -12.059 -2.015 623 HB2 ASP 84 1HB ASP 84 15.150 -11.231 -0.307 624 HB3 ASP 84 2HB ASP 84 14.285 -12.703 0.130 625 H GLN 85 H GLN 85 12.906 -9.601 0.503 626 HA GLN 85 HA GLN 85 11.057 -11.068 2.177 627 HB2 GLN 85 1HB GLN 85 12.151 -8.261 2.427 628 HB3 GLN 85 2HB GLN 85 11.171 -9.077 3.639 629 HG2 GLN 85 1HG GLN 85 13.707 -10.334 2.702 630 HG3 GLN 85 2HG GLN 85 13.758 -9.012 3.867 631 HE21 GLN 85 1HE2 GLN 85 14.789 -11.142 4.845 632 HE22 GLN 85 2HE2 GLN 85 13.725 -12.008 5.894 633 H THR 86 H THR 86 8.950 -10.369 2.720 634 HA THR 86 HA THR 86 7.740 -8.372 0.944 635 HB THR 86 HB THR 86 6.595 -11.135 1.397 636 HG1 THR 86 1HG THR 86 7.484 -9.937 -1.030 637 HG21 THR 86 1HG2 THR 86 4.626 -10.186 0.940 638 HG22 THR 86 2HG2 THR 86 5.243 -9.849 -0.677 639 HG23 THR 86 3HG2 THR 86 5.388 -8.634 0.593 640 H THR 87 H THR 87 6.357 -7.053 1.956 641 HA THR 87 HA THR 87 5.664 -7.680 4.740 642 HB THR 87 HB THR 87 6.891 -5.561 4.328 643 HG1 THR 87 1HG THR 87 5.722 -5.369 6.134 644 HG21 THR 87 1HG2 THR 87 5.866 -3.725 3.187 645 HG22 THR 87 2HG2 THR 87 4.366 -4.625 2.969 646 HG23 THR 87 3HG2 THR 87 5.821 -5.114 2.102 647 H SER 88 H SER 88 3.533 -7.097 5.525 648 HA SER 88 HA SER 88 1.434 -6.743 3.548 649 HB2 SER 88 1HB SER 88 0.172 -8.718 4.282 650 HB3 SER 88 2HB SER 88 1.735 -9.185 3.613 651 HG SER 88 HG SER 88 1.616 -8.717 6.354 652 H ALA 89 H ALA 89 -0.114 -5.461 4.323 653 HA ALA 89 HA ALA 89 -0.465 -5.276 7.240 654 HB1 ALA 89 1HB ALA 89 0.399 -3.206 5.409 655 HB2 ALA 89 2HB ALA 89 -1.059 -2.743 6.287 656 HB3 ALA 89 3HB ALA 89 0.389 -3.222 7.173 657 H THR 90 H THR 90 -2.553 -4.141 7.809 658 HA THR 90 HA THR 90 -4.659 -4.924 5.899 659 HB THR 90 HB THR 90 -4.878 -4.890 8.915 660 HG1 THR 90 1HG THR 90 -4.882 -7.191 7.258 661 HG21 THR 90 1HG2 THR 90 -7.074 -5.248 8.676 662 HG22 THR 90 2HG2 THR 90 -6.815 -6.455 7.416 663 HG23 THR 90 3HG2 THR 90 -6.872 -4.743 6.999 664 H LEU 91 H LEU 91 -6.082 -3.411 5.294 665 HA LEU 91 HA LEU 91 -5.883 -0.769 6.553 666 HB2 LEU 91 1HB LEU 91 -5.486 -0.982 4.111 667 HB3 LEU 91 2HB LEU 91 -7.150 -1.532 3.926 668 HG LEU 91 HG LEU 91 -7.792 0.731 4.977 669 HD11 LEU 91 1HD1 LEU 91 -5.299 1.819 3.839 670 HD12 LEU 91 2HD1 LEU 91 -5.156 1.015 5.402 671 HD13 LEU 91 3HD1 LEU 91 -6.264 2.373 5.208 672 HD21 LEU 91 1HD2 LEU 91 -6.882 0.104 2.237 673 HD22 LEU 91 2HD2 LEU 91 -7.136 1.809 2.612 674 HD23 LEU 91 3HD2 LEU 91 -8.455 0.655 2.816 675 H THR 92 H THR 92 -7.497 0.040 7.724 676 HA THR 92 HA THR 92 -9.996 -1.482 7.878 677 HB THR 92 HB THR 92 -8.886 0.637 9.728 678 HG1 THR 92 1HG THR 92 -8.898 -1.361 11.128 679 HG21 THR 92 1HG2 THR 92 -11.553 -0.398 9.425 680 HG22 THR 92 2HG2 THR 92 -10.957 0.846 10.524 681 HG23 THR 92 3HG2 THR 92 -10.898 -0.852 10.997 682 H VAL 93 H VAL 93 -11.841 -0.725 7.067 683 HA VAL 93 HA VAL 93 -12.032 2.150 6.450 684 HB VAL 93 HB VAL 93 -13.069 -0.119 4.746 685 HG11 VAL 93 1HG1 VAL 93 -13.288 2.110 3.226 686 HG12 VAL 93 2HG1 VAL 93 -14.605 1.427 4.181 687 HG13 VAL 93 3HG1 VAL 93 -13.649 2.762 4.824 688 HG21 VAL 93 1HG2 VAL 93 -10.570 0.388 4.730 689 HG22 VAL 93 2HG2 VAL 93 -11.402 0.403 3.175 690 HG23 VAL 93 3HG2 VAL 93 -11.004 1.923 3.977 691 H THR 94 H THR 94 -13.758 3.136 7.273 692 HA THR 94 HA THR 94 -15.863 1.484 8.472 693 HB THR 94 HB THR 94 -15.332 4.429 8.901 694 HG1 THR 94 1HG THR 94 -14.226 3.805 10.730 695 HG21 THR 94 1HG2 THR 94 -17.343 4.372 9.876 696 HG22 THR 94 2HG2 THR 94 -16.616 3.346 11.113 697 HG23 THR 94 3HG2 THR 94 -17.437 2.617 9.733 698 H ALA 95 H ALA 95 -17.876 1.453 7.692 699 HA ALA 95 HA ALA 95 -18.483 2.809 5.245 700 HB1 ALA 95 1HB ALA 95 -20.036 0.975 7.043 701 HB2 ALA 95 2HB ALA 95 -20.776 1.750 5.641 702 HB3 ALA 95 3HB ALA 95 -19.403 0.664 5.426 703 H LEU 96 H LEU 96 -19.416 4.727 4.976 704 HA LEU 96 HA LEU 96 -20.003 6.432 7.143 705 HB2 LEU 96 1HB LEU 96 -20.332 8.055 5.587 706 HB3 LEU 96 2HB LEU 96 -19.423 6.899 4.616 707 HG LEU 96 HG LEU 96 -21.745 6.048 3.866 708 HD11 LEU 96 1HD1 LEU 96 -22.805 8.744 4.175 709 HD12 LEU 96 2HD1 LEU 96 -22.621 7.886 5.704 710 HD13 LEU 96 3HD1 LEU 96 -23.588 7.181 4.409 711 HD21 LEU 96 1HD2 LEU 96 -20.972 6.993 2.014 712 HD22 LEU 96 2HD2 LEU 96 -20.025 8.152 2.949 713 HD23 LEU 96 3HD2 LEU 96 -21.700 8.515 2.529 714 HA PRO 97 HA PRO 97 -24.147 5.383 8.175 715 HB2 PRO 97 1HB PRO 97 -24.997 7.770 9.149 716 HB3 PRO 97 2HB PRO 97 -23.874 6.721 10.023 717 HG2 PRO 97 1HG PRO 97 -23.298 9.136 8.351 718 HG3 PRO 97 2HG PRO 97 -22.609 8.669 9.917 719 HD2 PRO 97 1HD PRO 97 -21.306 8.276 7.576 720 HD3 PRO 97 2HD PRO 97 -21.128 7.182 8.964 721 H SER 98 H SER 98 -25.368 4.969 6.398 722 HA SER 98 HA SER 98 -26.553 7.290 5.021 723 HB2 SER 98 1HB SER 98 -25.047 6.163 3.490 724 HB3 SER 98 2HB SER 98 -25.787 4.604 3.852 725 HG SER 98 HG SER 98 -27.580 5.184 2.754 726 H GLY 99 H GLY 99 -28.735 7.124 4.393 727 HA2 GLY 99 1HA GLY 99 -30.903 6.315 4.432 728 HA3 GLY 99 2HA GLY 99 -30.280 4.780 5.017 729 HA PRO 100 HA PRO 100 -32.119 7.637 8.445 730 HB2 PRO 100 1HB PRO 100 -34.764 7.044 8.304 731 HB3 PRO 100 2HB PRO 100 -34.039 8.408 7.445 732 HG2 PRO 100 1HG PRO 100 -34.753 5.688 6.420 733 HG3 PRO 100 2HG PRO 100 -35.001 7.271 5.660 734 HD2 PRO 100 1HD PRO 100 -32.960 5.628 4.973 735 HD3 PRO 100 2HD PRO 100 -32.821 7.397 4.921 736 H SER 101 H SER 101 -33.112 4.428 7.331 737 HA SER 101 HA SER 101 -33.936 3.389 9.800 738 HB2 SER 101 1HB SER 101 -32.887 2.115 7.282 739 HB3 SER 101 2HB SER 101 -33.290 1.142 8.696 740 HG SER 101 HG SER 101 -34.967 2.651 7.030 741 H SER 102 H SER 102 -32.776 3.240 11.593 742 HA SER 102 HA SER 102 -29.897 2.662 11.371 743 HB2 SER 102 1HB SER 102 -31.372 3.979 13.664 744 HB3 SER 102 2HB SER 102 -29.628 3.746 13.543 745 HG SER 102 HG SER 102 -30.194 4.973 11.370 746 H GLY 103 H GLY 103 -32.784 1.986 13.333 747 HA2 GLY 103 1HA GLY 103 -33.373 0.148 14.575 748 HA3 GLY 103 2HA GLY 103 -32.308 -0.769 13.520 Start of MODEL 15 1 H1 GLY 1 H GLY 1 42.410 -11.465 7.795 2 HA2 GLY 1 1HA GLY 1 43.144 -11.231 5.628 3 HA3 GLY 1 2HA GLY 1 42.172 -12.637 5.219 4 H SER 2 H SER 2 40.216 -12.370 4.243 5 HA SER 2 HA SER 2 39.286 -9.608 3.834 6 HB2 SER 2 1HB SER 2 40.523 -10.530 1.833 7 HB3 SER 2 2HB SER 2 39.248 -11.739 1.689 8 HG SER 2 HG SER 2 38.471 -9.070 1.876 9 H SER 3 H SER 3 37.235 -9.323 4.385 10 HA SER 3 HA SER 3 35.377 -11.591 4.207 11 HB2 SER 3 1HB SER 3 36.300 -11.122 6.586 12 HB3 SER 3 2HB SER 3 35.265 -9.695 6.541 13 HG SER 3 HG SER 3 34.165 -11.456 7.453 14 H GLY 4 H GLY 4 33.175 -11.028 3.931 15 HA2 GLY 4 1HA GLY 4 32.111 -8.455 3.927 16 HA3 GLY 4 2HA GLY 4 32.753 -8.740 2.315 17 H SER 5 H SER 5 30.568 -10.103 4.755 18 HA SER 5 HA SER 5 29.275 -11.857 2.908 19 HB2 SER 5 1HB SER 5 29.405 -12.098 5.461 20 HB3 SER 5 2HB SER 5 28.100 -10.913 5.521 21 HG SER 5 HG SER 5 27.062 -12.817 5.445 22 H SER 6 H SER 6 27.368 -11.619 1.820 23 HA SER 6 HA SER 6 26.314 -8.879 1.680 24 HB2 SER 6 1HB SER 6 27.238 -9.935 -0.413 25 HB3 SER 6 2HB SER 6 25.919 -11.103 -0.332 26 HG SER 6 HG SER 6 25.811 -8.330 -0.808 27 H GLY 7 H GLY 7 23.997 -8.600 1.391 28 HA2 GLY 7 1HA GLY 7 22.235 -10.794 2.022 29 HA3 GLY 7 2HA GLY 7 22.424 -9.648 3.340 30 HA PRO 8 HA PRO 8 19.305 -8.260 -0.032 31 HB2 PRO 8 1HB PRO 8 16.991 -9.177 1.054 32 HB3 PRO 8 2HB PRO 8 17.944 -10.110 -0.106 33 HG2 PRO 8 1HG PRO 8 17.853 -10.325 2.878 34 HG3 PRO 8 2HG PRO 8 17.871 -11.617 1.663 35 HD2 PRO 8 1HD PRO 8 20.087 -10.871 3.029 36 HD3 PRO 8 2HD PRO 8 20.151 -11.472 1.360 37 H VAL 9 H VAL 9 17.486 -6.729 0.357 38 HA VAL 9 HA VAL 9 18.130 -4.988 2.551 39 HB VAL 9 HB VAL 9 15.857 -4.720 0.581 40 HG11 VAL 9 1HG1 VAL 9 15.351 -3.089 2.060 41 HG12 VAL 9 2HG1 VAL 9 16.991 -3.014 2.706 42 HG13 VAL 9 3HG1 VAL 9 16.604 -2.210 1.185 43 HG21 VAL 9 1HG2 VAL 9 17.760 -2.988 -0.277 44 HG22 VAL 9 2HG2 VAL 9 18.754 -4.335 0.276 45 HG23 VAL 9 3HG2 VAL 9 17.509 -4.601 -0.943 46 H ARG 10 H ARG 10 16.744 -4.318 4.218 47 HA ARG 10 HA ARG 10 14.598 -6.236 4.843 48 HB2 ARG 10 1HB ARG 10 16.622 -4.844 6.548 49 HB3 ARG 10 2HB ARG 10 15.066 -5.271 7.248 50 HG2 ARG 10 1HG ARG 10 15.450 -7.543 7.046 51 HG3 ARG 10 2HG ARG 10 16.675 -7.326 5.795 52 HD2 ARG 10 1HD ARG 10 18.304 -6.693 7.324 53 HD3 ARG 10 2HD ARG 10 17.118 -6.250 8.551 54 HE ARG 10 HE ARG 10 18.301 -8.805 8.172 55 HH11 ARG 10 2HH1 ARG 10 15.347 -7.229 9.124 56 HH12 ARG 10 1HH1 ARG 10 14.815 -8.542 10.122 57 HH21 ARG 10 2HH2 ARG 10 17.612 -10.540 9.483 58 HH22 ARG 10 1HH2 ARG 10 16.105 -10.424 10.326 59 H PHE 11 H PHE 11 12.803 -5.369 6.151 60 HA PHE 11 HA PHE 11 11.968 -2.794 5.085 61 HB2 PHE 11 1HB PHE 11 10.602 -5.138 6.306 62 HB3 PHE 11 2HB PHE 11 9.829 -3.567 6.493 63 HD1 PHE 11 2HD PHE 11 9.480 -2.189 4.340 64 HD2 PHE 11 1HD PHE 11 10.268 -6.372 4.382 65 HE1 PHE 11 2HE PHE 11 8.531 -2.387 2.079 66 HE2 PHE 11 1HE PHE 11 9.321 -6.576 2.120 67 HZ PHE 11 HZ PHE 11 8.449 -4.583 0.966 68 H GLN 12 H GLN 12 12.879 -1.158 6.212 69 HA GLN 12 HA GLN 12 13.447 -1.152 8.955 70 HB2 GLN 12 1HB GLN 12 14.453 0.415 7.339 71 HB3 GLN 12 2HB GLN 12 12.897 1.213 7.153 72 HG2 GLN 12 1HG GLN 12 14.158 2.553 8.617 73 HG3 GLN 12 2HG GLN 12 12.978 1.705 9.617 74 HE21 GLN 12 1HE2 GLN 12 16.246 1.151 8.339 75 HE22 GLN 12 2HE2 GLN 12 16.909 0.561 9.822 76 H GLU 13 H GLU 13 10.719 0.324 7.200 77 HA GLU 13 HA GLU 13 9.156 0.161 9.686 78 HB2 GLU 13 1HB GLU 13 10.015 2.513 9.074 79 HB3 GLU 13 2HB GLU 13 8.851 2.450 7.758 80 HG2 GLU 13 1HG GLU 13 7.822 3.605 9.543 81 HG3 GLU 13 2HG GLU 13 7.077 2.010 9.465 82 H ALA 14 H ALA 14 9.041 -1.808 7.814 83 HA ALA 14 HA ALA 14 7.483 -1.818 5.653 84 HB1 ALA 14 1HB ALA 14 6.352 -3.890 7.152 85 HB2 ALA 14 2HB ALA 14 7.715 -3.992 6.038 86 HB3 ALA 14 3HB ALA 14 7.999 -3.710 7.755 87 H LEU 15 H LEU 15 5.259 -1.940 5.138 88 HA LEU 15 HA LEU 15 3.612 -0.038 6.223 89 HB2 LEU 15 1HB LEU 15 2.804 -2.608 4.873 90 HB3 LEU 15 2HB LEU 15 1.739 -1.229 5.136 91 HG LEU 15 HG LEU 15 4.261 -0.833 3.592 92 HD11 LEU 15 1HD1 LEU 15 2.538 -2.851 2.874 93 HD12 LEU 15 2HD1 LEU 15 3.640 -1.996 1.795 94 HD13 LEU 15 3HD1 LEU 15 1.960 -1.477 1.932 95 HD21 LEU 15 1HD2 LEU 15 3.239 1.185 3.757 96 HD22 LEU 15 2HD2 LEU 15 1.631 0.483 3.942 97 HD23 LEU 15 3HD2 LEU 15 2.374 0.579 2.344 98 H LYS 16 H LYS 16 1.733 -0.121 7.552 99 HA LYS 16 HA LYS 16 1.559 -2.429 9.359 100 HB2 LYS 16 1HB LYS 16 1.597 0.461 10.251 101 HB3 LYS 16 2HB LYS 16 1.351 -0.934 11.294 102 HG2 LYS 16 1HG LYS 16 3.572 -1.659 11.024 103 HG3 LYS 16 2HG LYS 16 3.842 -0.576 9.656 104 HD2 LYS 16 1HD LYS 16 4.915 0.514 11.406 105 HD3 LYS 16 2HD LYS 16 3.340 1.310 11.352 106 HE2 LYS 16 1HE LYS 16 2.619 -0.410 13.103 107 HE3 LYS 16 2HE LYS 16 4.338 -0.749 13.298 108 HZ1 LYS 16 1HZ LYS 16 3.966 0.850 14.887 109 HZ2 LYS 16 2HZ LYS 16 2.849 1.703 13.947 110 HZ3 LYS 16 3HZ LYS 16 4.500 1.799 13.593 111 H ASP 17 H ASP 17 -0.438 -1.894 10.940 112 HA ASP 17 HA ASP 17 -2.734 -2.049 9.335 113 HB2 ASP 17 1HB ASP 17 -2.804 -1.224 12.229 114 HB3 ASP 17 2HB ASP 17 -3.967 -2.201 11.336 115 H LEU 18 H LEU 18 -4.422 -0.604 8.959 116 HA LEU 18 HA LEU 18 -4.041 2.183 9.747 117 HB2 LEU 18 1HB LEU 18 -4.342 1.238 6.903 118 HB3 LEU 18 2HB LEU 18 -4.524 2.915 7.413 119 HG LEU 18 HG LEU 18 -1.974 1.478 8.003 120 HD11 LEU 18 1HD1 LEU 18 -3.030 2.051 5.346 121 HD12 LEU 18 2HD1 LEU 18 -1.667 1.044 5.835 122 HD13 LEU 18 3HD1 LEU 18 -1.457 2.786 5.655 123 HD21 LEU 18 1HD2 LEU 18 -2.517 3.762 8.881 124 HD22 LEU 18 2HD2 LEU 18 -2.516 4.333 7.212 125 HD23 LEU 18 3HD2 LEU 18 -1.043 3.667 7.917 126 H GLU 19 H GLU 19 -5.959 3.506 9.410 127 HA GLU 19 HA GLU 19 -8.438 1.977 9.048 128 HB2 GLU 19 1HB GLU 19 -8.167 2.081 11.431 129 HB3 GLU 19 2HB GLU 19 -7.783 3.795 11.367 130 HG2 GLU 19 1HG GLU 19 -10.421 2.861 10.351 131 HG3 GLU 19 2HG GLU 19 -10.154 2.978 12.089 132 H VAL 20 H VAL 20 -9.847 2.955 7.747 133 HA VAL 20 HA VAL 20 -9.882 5.861 7.529 134 HB VAL 20 HB VAL 20 -9.647 5.933 5.152 135 HG11 VAL 20 1HG1 VAL 20 -7.340 5.128 4.853 136 HG12 VAL 20 2HG1 VAL 20 -7.560 5.970 6.388 137 HG13 VAL 20 3HG1 VAL 20 -7.481 4.209 6.351 138 HG21 VAL 20 1HG2 VAL 20 -9.812 2.959 5.363 139 HG22 VAL 20 2HG2 VAL 20 -10.657 4.056 4.271 140 HG23 VAL 20 3HG2 VAL 20 -8.952 3.690 4.007 141 H LEU 21 H LEU 21 -11.711 6.594 6.100 142 HA LEU 21 HA LEU 21 -14.028 4.866 6.587 143 HB2 LEU 21 1HB LEU 21 -13.786 7.342 7.362 144 HB3 LEU 21 2HB LEU 21 -14.215 7.712 5.694 145 HG LEU 21 HG LEU 21 -15.984 5.881 7.239 146 HD11 LEU 21 1HD1 LEU 21 -15.266 8.262 8.380 147 HD12 LEU 21 2HD1 LEU 21 -16.779 7.404 8.665 148 HD13 LEU 21 3HD1 LEU 21 -16.711 8.697 7.468 149 HD21 LEU 21 1HD2 LEU 21 -16.862 8.112 5.472 150 HD22 LEU 21 2HD2 LEU 21 -17.584 6.523 5.730 151 HD23 LEU 21 3HD2 LEU 21 -16.131 6.682 4.741 152 H GLU 22 H GLU 22 -15.575 4.466 4.974 153 HA GLU 22 HA GLU 22 -14.594 3.896 2.431 154 HB2 GLU 22 1HB GLU 22 -16.740 3.175 1.892 155 HB3 GLU 22 2HB GLU 22 -16.706 3.018 3.642 156 HG2 GLU 22 1HG GLU 22 -18.784 3.975 3.110 157 HG3 GLU 22 2HG GLU 22 -17.794 5.284 3.754 158 H GLY 23 H GLY 23 -15.534 4.754 0.349 159 HA2 GLY 23 1HA GLY 23 -15.734 6.482 -1.148 160 HA3 GLY 23 2HA GLY 23 -16.620 7.323 0.115 161 H GLY 24 H GLY 24 -13.410 6.358 0.871 162 HA2 GLY 24 1HA GLY 24 -12.504 9.139 0.442 163 HA3 GLY 24 2HA GLY 24 -12.064 8.195 1.858 164 H ALA 25 H ALA 25 -9.855 8.381 1.493 165 HA ALA 25 HA ALA 25 -8.845 6.627 -0.624 166 HB1 ALA 25 1HB ALA 25 -8.778 9.200 -1.158 167 HB2 ALA 25 2HB ALA 25 -7.352 9.153 -0.120 168 HB3 ALA 25 3HB ALA 25 -7.420 8.151 -1.569 169 H ALA 26 H ALA 26 -6.992 5.510 -0.105 170 HA ALA 26 HA ALA 26 -6.071 5.811 2.677 171 HB1 ALA 26 1HB ALA 26 -7.075 3.686 2.432 172 HB2 ALA 26 2HB ALA 26 -6.244 3.387 0.905 173 HB3 ALA 26 3HB ALA 26 -5.333 3.409 2.415 174 H THR 27 H THR 27 -3.960 6.142 3.095 175 HA THR 27 HA THR 27 -2.118 6.182 0.793 176 HB THR 27 HB THR 27 -2.097 7.930 3.261 177 HG1 THR 27 1HG THR 27 -3.591 8.606 1.689 178 HG21 THR 27 1HG2 THR 27 -0.177 9.056 2.207 179 HG22 THR 27 2HG2 THR 27 -0.172 7.835 0.935 180 HG23 THR 27 3HG2 THR 27 0.181 7.375 2.600 181 H LEU 28 H LEU 28 -1.142 4.218 0.970 182 HA LEU 28 HA LEU 28 -0.078 3.388 3.563 183 HB2 LEU 28 1HB LEU 28 -0.322 1.973 0.917 184 HB3 LEU 28 2HB LEU 28 0.496 1.282 2.317 185 HG LEU 28 HG LEU 28 -1.858 1.788 3.451 186 HD11 LEU 28 1HD1 LEU 28 -2.599 1.227 0.586 187 HD12 LEU 28 2HD1 LEU 28 -2.750 2.800 1.367 188 HD13 LEU 28 3HD1 LEU 28 -3.694 1.431 1.954 189 HD21 LEU 28 1HD2 LEU 28 -0.555 -0.399 3.048 190 HD22 LEU 28 2HD2 LEU 28 -1.637 -0.613 1.671 191 HD23 LEU 28 3HD2 LEU 28 -2.298 -0.490 3.303 192 H ARG 29 H ARG 29 1.834 4.264 4.039 193 HA ARG 29 HA ARG 29 3.886 4.346 1.925 194 HB2 ARG 29 1HB ARG 29 4.928 6.188 3.263 195 HB3 ARG 29 2HB ARG 29 3.357 6.589 2.583 196 HG2 ARG 29 1HG ARG 29 2.338 6.675 4.619 197 HG3 ARG 29 2HG ARG 29 3.443 5.506 5.344 198 HD2 ARG 29 1HD ARG 29 5.233 7.251 5.216 199 HD3 ARG 29 2HD ARG 29 3.994 8.399 4.709 200 HE ARG 29 HE ARG 29 4.482 7.456 7.362 201 HH11 ARG 29 2HH1 ARG 29 2.025 8.631 5.194 202 HH12 ARG 29 1HH1 ARG 29 1.008 9.230 6.463 203 HH21 ARG 29 2HH2 ARG 29 3.152 8.240 9.041 204 HH22 ARG 29 1HH2 ARG 29 1.651 9.008 8.650 205 H CYS 30 H CYS 30 6.106 4.020 2.640 206 HA CYS 30 HA CYS 30 6.623 2.897 5.225 207 HB2 CYS 30 1HB CYS 30 7.289 0.658 4.419 208 HB3 CYS 30 2HB CYS 30 5.569 0.956 4.202 209 HG CYS 30 HG CYS 30 5.503 0.885 1.581 210 H VAL 31 H VAL 31 8.838 2.619 5.641 211 HA VAL 31 HA VAL 31 10.584 3.879 3.636 212 HB VAL 31 HB VAL 31 10.990 3.622 6.620 213 HG11 VAL 31 1HG1 VAL 31 12.973 4.856 6.389 214 HG12 VAL 31 2HG1 VAL 31 13.046 3.644 5.108 215 HG13 VAL 31 3HG1 VAL 31 12.600 5.308 4.726 216 HG21 VAL 31 1HG2 VAL 31 10.057 5.882 4.875 217 HG22 VAL 31 2HG2 VAL 31 9.285 5.209 6.311 218 HG23 VAL 31 3HG2 VAL 31 10.763 6.159 6.468 219 H LEU 32 H LEU 32 12.324 2.835 2.847 220 HA LEU 32 HA LEU 32 12.728 0.065 3.720 221 HB2 LEU 32 1HB LEU 32 13.690 1.460 1.227 222 HB3 LEU 32 2HB LEU 32 13.872 -0.254 1.592 223 HG LEU 32 HG LEU 32 11.128 0.909 1.468 224 HD11 LEU 32 1HD1 LEU 32 12.992 1.040 -0.691 225 HD12 LEU 32 2HD1 LEU 32 11.296 1.519 -0.654 226 HD13 LEU 32 3HD1 LEU 32 11.735 -0.136 -1.075 227 HD21 LEU 32 1HD2 LEU 32 12.440 -1.747 1.142 228 HD22 LEU 32 2HD2 LEU 32 10.908 -1.441 0.323 229 HD23 LEU 32 3HD2 LEU 32 11.014 -1.299 2.078 230 H SER 33 H SER 33 14.880 -0.770 3.955 231 HA SER 33 HA SER 33 16.579 0.973 5.430 232 HB2 SER 33 1HB SER 33 16.234 -1.621 5.617 233 HB3 SER 33 2HB SER 33 17.512 -1.686 4.403 234 HG SER 33 HG SER 33 17.933 -0.046 6.614 235 H SER 34 H SER 34 16.611 -0.311 2.162 236 HA SER 34 HA SER 34 18.880 1.463 1.560 237 HB2 SER 34 1HB SER 34 19.374 -1.091 1.637 238 HB3 SER 34 2HB SER 34 18.506 -1.139 0.103 239 HG SER 34 HG SER 34 20.714 0.560 0.639 240 H VAL 35 H VAL 35 18.978 2.205 -0.654 241 HA VAL 35 HA VAL 35 16.329 2.726 -1.711 242 HB VAL 35 HB VAL 35 18.962 3.694 -2.821 243 HG11 VAL 35 1HG1 VAL 35 17.727 4.736 -4.343 244 HG12 VAL 35 2HG1 VAL 35 16.290 3.945 -3.694 245 HG13 VAL 35 3HG1 VAL 35 16.784 5.522 -3.078 246 HG21 VAL 35 1HG2 VAL 35 17.912 5.809 -1.450 247 HG22 VAL 35 2HG2 VAL 35 17.533 4.457 -0.383 248 HG23 VAL 35 3HG2 VAL 35 19.202 4.760 -0.862 249 H ALA 36 H ALA 36 15.601 0.877 -2.694 250 HA ALA 36 HA ALA 36 17.159 -0.047 -5.020 251 HB1 ALA 36 1HB ALA 36 16.764 -1.604 -2.915 252 HB2 ALA 36 2HB ALA 36 15.227 -1.895 -3.730 253 HB3 ALA 36 3HB ALA 36 16.744 -2.239 -4.560 254 H ALA 37 H ALA 37 15.981 -0.655 -6.880 255 HA ALA 37 HA ALA 37 13.149 -0.479 -7.041 256 HB1 ALA 37 1HB ALA 37 14.640 1.978 -7.347 257 HB2 ALA 37 2HB ALA 37 13.724 1.590 -8.803 258 HB3 ALA 37 3HB ALA 37 12.897 1.721 -7.251 259 HA PRO 38 HA PRO 38 11.965 0.648 -9.052 260 HB2 PRO 38 1HB PRO 38 10.122 -0.819 -10.402 261 HB3 PRO 38 2HB PRO 38 11.196 0.339 -11.195 262 HG2 PRO 38 1HG PRO 38 11.439 -2.638 -10.993 263 HG3 PRO 38 2HG PRO 38 11.721 -1.585 -12.392 264 HD2 PRO 38 1HD PRO 38 13.739 -2.565 -10.876 265 HD3 PRO 38 2HD PRO 38 13.825 -0.980 -11.672 266 H VAL 39 H VAL 39 9.719 0.100 -8.178 267 HA VAL 39 HA VAL 39 9.993 -2.093 -6.234 268 HB VAL 39 HB VAL 39 8.097 0.237 -6.000 269 HG11 VAL 39 1HG1 VAL 39 7.346 -1.058 -4.339 270 HG12 VAL 39 2HG1 VAL 39 8.767 -2.104 -4.391 271 HG13 VAL 39 3HG1 VAL 39 8.817 -0.590 -3.487 272 HG21 VAL 39 1HG2 VAL 39 10.850 0.469 -6.001 273 HG22 VAL 39 2HG2 VAL 39 9.708 1.609 -5.288 274 HG23 VAL 39 3HG2 VAL 39 10.441 0.354 -4.289 275 H LYS 40 H LYS 40 8.411 -3.610 -6.004 276 HA LYS 40 HA LYS 40 6.275 -3.570 -8.027 277 HB2 LYS 40 1HB LYS 40 7.840 -5.447 -8.224 278 HB3 LYS 40 2HB LYS 40 7.505 -5.911 -6.561 279 HG2 LYS 40 1HG LYS 40 5.330 -6.614 -7.076 280 HG3 LYS 40 2HG LYS 40 5.340 -5.781 -8.633 281 HD2 LYS 40 1HD LYS 40 7.388 -7.397 -9.076 282 HD3 LYS 40 2HD LYS 40 6.576 -8.372 -7.848 283 HE2 LYS 40 1HE LYS 40 5.662 -9.150 -9.839 284 HE3 LYS 40 2HE LYS 40 4.458 -7.997 -9.266 285 HZ1 LYS 40 1HZ LYS 40 4.750 -7.527 -11.524 286 HZ2 LYS 40 2HZ LYS 40 6.435 -7.648 -11.439 287 HZ3 LYS 40 3HZ LYS 40 5.645 -6.330 -10.731 288 H TRP 41 H TRP 41 4.169 -3.782 -7.450 289 HA TRP 41 HA TRP 41 3.597 -4.003 -4.566 290 HB2 TRP 41 1HB TRP 41 2.445 -2.191 -6.661 291 HB3 TRP 41 2HB TRP 41 1.479 -2.639 -5.258 292 HD1 TRP 41 HD TRP 41 4.859 -0.927 -6.063 293 HE1 TRP 41 1HE TRP 41 5.366 0.753 -4.180 294 HE3 TRP 41 3HE TRP 41 0.918 -1.957 -2.972 295 HZ2 TRP 41 2HZ TRP 41 4.245 1.537 -1.711 296 HZ3 TRP 41 3HZ TRP 41 0.709 -0.697 -0.869 297 HH2 TRP 41 HH TRP 41 2.339 1.013 -0.253 298 H CYS 42 H CYS 42 2.730 -5.931 -4.179 299 HA CYS 42 HA CYS 42 0.919 -7.099 -6.178 300 HB2 CYS 42 1HB CYS 42 1.530 -9.221 -5.443 301 HB3 CYS 42 2HB CYS 42 3.036 -8.324 -5.288 302 HG CYS 42 HG CYS 42 3.313 -9.459 -2.971 303 H TYR 43 H TYR 43 -1.037 -8.099 -5.482 304 HA TYR 43 HA TYR 43 -1.987 -7.276 -2.826 305 HB2 TYR 43 1HB TYR 43 -2.764 -5.711 -4.668 306 HB3 TYR 43 2HB TYR 43 -3.687 -7.064 -5.313 307 HD1 TYR 43 2HD TYR 43 -3.144 -5.602 -1.908 308 HD2 TYR 43 1HD TYR 43 -5.932 -6.915 -4.841 309 HE1 TYR 43 2HE TYR 43 -4.995 -5.057 -0.384 310 HE2 TYR 43 1HE TYR 43 -7.791 -6.374 -3.325 311 HH TYR 43 HH TYR 43 -8.165 -6.109 -0.892 312 H GLY 44 H GLY 44 -3.535 -8.617 -1.879 313 HA2 GLY 44 1HA GLY 44 -3.357 -11.291 -2.076 314 HA3 GLY 44 2HA GLY 44 -4.859 -10.503 -1.618 315 H ASN 45 H ASN 45 -5.725 -9.374 -3.921 316 HA ASN 45 HA ASN 45 -6.803 -11.586 -5.314 317 HB2 ASN 45 1HB ASN 45 -8.121 -9.603 -5.185 318 HB3 ASN 45 2HB ASN 45 -6.831 -8.620 -5.873 319 HD21 ASN 45 1HD2 ASN 45 -7.946 -7.849 -7.596 320 HD22 ASN 45 2HD2 ASN 45 -8.507 -8.838 -8.898 321 H ASN 46 H ASN 46 -4.986 -8.905 -6.793 322 HA ASN 46 HA ASN 46 -3.239 -10.776 -8.162 323 HB2 ASN 46 1HB ASN 46 -4.792 -10.850 -9.863 324 HB3 ASN 46 2HB ASN 46 -5.406 -9.236 -9.518 325 HD21 ASN 46 1HD2 ASN 46 -2.989 -11.097 -11.157 326 HD22 ASN 46 2HD2 ASN 46 -2.369 -9.814 -12.135 327 H VAL 47 H VAL 47 -1.584 -9.606 -9.488 328 HA VAL 47 HA VAL 47 -0.196 -7.746 -8.007 329 HB VAL 47 HB VAL 47 0.741 -9.052 -9.909 330 HG11 VAL 47 1HG1 VAL 47 0.526 -7.662 -12.148 331 HG12 VAL 47 2HG1 VAL 47 -0.648 -8.908 -11.718 332 HG13 VAL 47 3HG1 VAL 47 -1.021 -7.207 -11.436 333 HG21 VAL 47 1HG2 VAL 47 1.529 -6.639 -8.925 334 HG22 VAL 47 2HG2 VAL 47 2.474 -7.629 -10.036 335 HG23 VAL 47 3HG2 VAL 47 1.476 -6.314 -10.657 336 H LEU 48 H LEU 48 0.167 -5.500 -8.215 337 HA LEU 48 HA LEU 48 -2.155 -4.041 -9.276 338 HB2 LEU 48 1HB LEU 48 -0.125 -3.081 -7.269 339 HB3 LEU 48 2HB LEU 48 -1.639 -2.295 -7.710 340 HG LEU 48 HG LEU 48 -1.548 -4.996 -6.387 341 HD11 LEU 48 1HD1 LEU 48 -1.262 -4.112 -4.356 342 HD12 LEU 48 2HD1 LEU 48 -2.276 -2.715 -4.716 343 HD13 LEU 48 3HD1 LEU 48 -0.582 -2.726 -5.208 344 HD21 LEU 48 1HD2 LEU 48 -3.826 -3.495 -5.713 345 HD22 LEU 48 2HD2 LEU 48 -3.736 -4.920 -6.749 346 HD23 LEU 48 3HD2 LEU 48 -3.603 -3.308 -7.453 347 H ARG 49 H ARG 49 -1.863 -2.143 -10.482 348 HA ARG 49 HA ARG 49 0.861 -1.649 -11.471 349 HB2 ARG 49 1HB ARG 49 -1.646 -2.012 -13.110 350 HB3 ARG 49 2HB ARG 49 -0.196 -1.243 -13.742 351 HG2 ARG 49 1HG ARG 49 1.052 -3.229 -13.591 352 HG3 ARG 49 2HG ARG 49 -0.158 -4.002 -12.564 353 HD2 ARG 49 1HD ARG 49 -0.975 -3.085 -15.274 354 HD3 ARG 49 2HD ARG 49 0.019 -4.536 -15.146 355 HE ARG 49 HE ARG 49 -2.069 -4.814 -13.338 356 HH11 ARG 49 2HH1 ARG 49 -1.640 -4.530 -16.781 357 HH12 ARG 49 1HH1 ARG 49 -3.051 -5.459 -17.166 358 HH21 ARG 49 2HH2 ARG 49 -3.929 -6.039 -13.831 359 HH22 ARG 49 1HH2 ARG 49 -4.353 -6.316 -15.487 360 HA PRO 50 HA PRO 50 -0.033 2.580 -10.661 361 HB2 PRO 50 1HB PRO 50 1.726 3.748 -12.368 362 HB3 PRO 50 2HB PRO 50 2.225 2.947 -10.874 363 HG2 PRO 50 1HG PRO 50 2.262 1.912 -13.682 364 HG3 PRO 50 2HG PRO 50 3.494 1.756 -12.416 365 HD2 PRO 50 1HD PRO 50 1.771 -0.241 -13.024 366 HD3 PRO 50 2HD PRO 50 2.392 0.016 -11.381 367 H GLY 51 H GLY 51 -1.271 4.250 -11.437 368 HA2 GLY 51 1HA GLY 51 -1.690 4.949 -14.098 369 HA3 GLY 51 2HA GLY 51 -2.912 3.753 -13.692 370 H ASP 52 H ASP 52 -4.768 4.528 -12.960 371 HA ASP 52 HA ASP 52 -4.806 7.262 -11.878 372 HB2 ASP 52 1HB ASP 52 -7.057 5.628 -13.069 373 HB3 ASP 52 2HB ASP 52 -7.194 7.283 -12.481 374 H LYS 53 H LYS 53 -6.671 4.245 -11.474 375 HA LYS 53 HA LYS 53 -7.850 4.769 -9.060 376 HB2 LYS 53 1HB LYS 53 -6.976 2.282 -10.432 377 HB3 LYS 53 2HB LYS 53 -7.404 2.148 -8.732 378 HG2 LYS 53 1HG LYS 53 -9.295 3.599 -10.485 379 HG3 LYS 53 2HG LYS 53 -9.174 1.851 -10.691 380 HD2 LYS 53 1HD LYS 53 -10.773 1.905 -9.070 381 HD3 LYS 53 2HD LYS 53 -9.341 1.918 -8.038 382 HE2 LYS 53 1HE LYS 53 -10.880 3.604 -7.274 383 HE3 LYS 53 2HE LYS 53 -9.464 4.389 -7.971 384 HZ1 LYS 53 1HZ LYS 53 -11.053 5.577 -9.015 385 HZ2 LYS 53 2HZ LYS 53 -12.218 4.355 -8.912 386 HZ3 LYS 53 3HZ LYS 53 -11.020 4.282 -10.103 387 H TYR 54 H TYR 54 -4.558 3.665 -9.653 388 HA TYR 54 HA TYR 54 -3.980 4.089 -6.795 389 HB2 TYR 54 1HB TYR 54 -2.423 2.195 -8.542 390 HB3 TYR 54 2HB TYR 54 -2.453 2.289 -6.785 391 HD1 TYR 54 2HD TYR 54 -4.369 1.242 -9.761 392 HD2 TYR 54 1HD TYR 54 -4.102 1.128 -5.516 393 HE1 TYR 54 2HE TYR 54 -6.105 -0.500 -9.704 394 HE2 TYR 54 1HE TYR 54 -5.836 -0.614 -5.448 395 HH TYR 54 HH TYR 54 -6.678 -2.441 -7.162 396 H SER 55 H SER 55 -1.666 4.630 -6.372 397 HA SER 55 HA SER 55 -0.324 5.982 -8.589 398 HB2 SER 55 1HB SER 55 -1.792 7.666 -7.468 399 HB3 SER 55 2HB SER 55 -0.909 7.382 -5.969 400 HG SER 55 HG SER 55 -0.261 9.174 -7.557 401 H LEU 56 H LEU 56 1.710 5.322 -8.600 402 HA LEU 56 HA LEU 56 2.976 4.604 -6.039 403 HB2 LEU 56 1HB LEU 56 3.630 3.592 -8.802 404 HB3 LEU 56 2HB LEU 56 4.410 3.094 -7.302 405 HG LEU 56 HG LEU 56 2.038 2.315 -6.609 406 HD11 LEU 56 1HD1 LEU 56 1.334 3.445 -8.989 407 HD12 LEU 56 2HD1 LEU 56 0.396 2.227 -8.125 408 HD13 LEU 56 3HD1 LEU 56 1.487 1.742 -9.423 409 HD21 LEU 56 1HD2 LEU 56 3.096 0.380 -6.843 410 HD22 LEU 56 2HD2 LEU 56 4.191 1.086 -8.032 411 HD23 LEU 56 3HD2 LEU 56 2.663 0.374 -8.553 412 H ARG 57 H ARG 57 4.677 5.757 -5.404 413 HA ARG 57 HA ARG 57 6.387 7.064 -7.362 414 HB2 ARG 57 1HB ARG 57 4.593 8.705 -6.840 415 HB3 ARG 57 2HB ARG 57 5.055 8.629 -5.145 416 HG2 ARG 57 1HG ARG 57 7.406 9.296 -6.035 417 HG3 ARG 57 2HG ARG 57 6.504 9.845 -7.450 418 HD2 ARG 57 1HD ARG 57 5.627 10.655 -4.710 419 HD3 ARG 57 2HD ARG 57 6.975 11.489 -5.483 420 HE ARG 57 HE ARG 57 4.791 11.365 -7.259 421 HH11 ARG 57 2HH1 ARG 57 5.814 12.946 -4.331 422 HH12 ARG 57 1HH1 ARG 57 4.854 14.362 -4.605 423 HH21 ARG 57 2HH2 ARG 57 3.523 13.224 -7.632 424 HH22 ARG 57 1HH2 ARG 57 3.551 14.519 -6.483 425 H GLN 58 H GLN 58 8.422 6.697 -6.801 426 HA GLN 58 HA GLN 58 9.020 6.015 -4.013 427 HB2 GLN 58 1HB GLN 58 9.649 4.420 -5.833 428 HB3 GLN 58 2HB GLN 58 10.756 5.636 -6.457 429 HG2 GLN 58 1HG GLN 58 11.677 5.563 -3.988 430 HG3 GLN 58 2HG GLN 58 10.957 3.954 -4.021 431 HE21 GLN 58 1HE2 GLN 58 13.616 4.165 -3.672 432 HE22 GLN 58 2HE2 GLN 58 14.460 3.646 -5.087 433 H GLU 59 H GLU 59 10.066 7.393 -2.743 434 HA GLU 59 HA GLU 59 11.705 9.496 -3.990 435 HB2 GLU 59 1HB GLU 59 9.346 10.120 -2.968 436 HB3 GLU 59 2HB GLU 59 10.237 10.067 -1.453 437 HG2 GLU 59 1HG GLU 59 11.881 11.664 -2.513 438 HG3 GLU 59 2HG GLU 59 10.709 11.857 -3.815 439 H GLY 60 H GLY 60 13.521 8.124 -3.547 440 HA2 GLY 60 1HA GLY 60 15.288 7.367 -2.288 441 HA3 GLY 60 2HA GLY 60 14.964 8.769 -1.280 442 H ALA 61 H ALA 61 14.811 5.364 -1.537 443 HA ALA 61 HA ALA 61 13.897 3.726 -0.193 444 HB1 ALA 61 1HB ALA 61 15.518 5.567 1.484 445 HB2 ALA 61 2HB ALA 61 14.610 4.287 2.290 446 HB3 ALA 61 3HB ALA 61 15.801 3.879 1.054 447 H MET 62 H MET 62 11.879 5.508 -0.876 448 HA MET 62 HA MET 62 10.158 5.252 1.458 449 HB2 MET 62 1HB MET 62 11.207 7.588 1.398 450 HB3 MET 62 2HB MET 62 10.229 7.866 -0.037 451 HG2 MET 62 1HG MET 62 8.261 7.110 1.470 452 HG3 MET 62 2HG MET 62 9.367 7.476 2.792 453 HE1 MET 62 1HE MET 62 6.618 8.618 0.817 454 HE2 MET 62 2HE MET 62 6.825 10.333 0.461 455 HE3 MET 62 3HE MET 62 7.681 9.124 -0.497 456 H LEU 63 H LEU 63 8.060 4.814 0.951 457 HA LEU 63 HA LEU 63 7.263 5.013 -1.871 458 HB2 LEU 63 1HB LEU 63 6.554 2.662 -0.141 459 HB3 LEU 63 2HB LEU 63 6.350 2.834 -1.883 460 HG LEU 63 HG LEU 63 9.094 2.830 -0.688 461 HD11 LEU 63 1HD1 LEU 63 8.726 0.792 0.151 462 HD12 LEU 63 2HD1 LEU 63 8.723 0.254 -1.529 463 HD13 LEU 63 3HD1 LEU 63 7.200 0.608 -0.714 464 HD21 LEU 63 1HD2 LEU 63 7.838 2.411 -3.351 465 HD22 LEU 63 2HD2 LEU 63 9.333 1.550 -2.984 466 HD23 LEU 63 3HD2 LEU 63 9.290 3.312 -2.913 467 H GLU 64 H GLU 64 5.006 5.192 -2.244 468 HA GLU 64 HA GLU 64 3.212 5.432 0.011 469 HB2 GLU 64 1HB GLU 64 4.364 7.651 -0.120 470 HB3 GLU 64 2HB GLU 64 3.711 7.843 -1.741 471 HG2 GLU 64 1HG GLU 64 1.442 7.745 -0.840 472 HG3 GLU 64 2HG GLU 64 2.099 7.557 0.785 473 H LEU 65 H LEU 65 1.514 4.315 -0.668 474 HA LEU 65 HA LEU 65 0.707 4.533 -3.489 475 HB2 LEU 65 1HB LEU 65 1.259 2.282 -2.859 476 HB3 LEU 65 2HB LEU 65 0.212 2.376 -1.445 477 HG LEU 65 HG LEU 65 -1.726 2.617 -3.054 478 HD11 LEU 65 1HD1 LEU 65 -0.847 1.332 -5.286 479 HD12 LEU 65 2HD1 LEU 65 0.505 2.410 -4.938 480 HD13 LEU 65 3HD1 LEU 65 -1.115 3.071 -5.159 481 HD21 LEU 65 1HD2 LEU 65 -2.070 0.390 -2.938 482 HD22 LEU 65 2HD2 LEU 65 -0.621 0.438 -1.933 483 HD23 LEU 65 3HD2 LEU 65 -0.498 -0.001 -3.637 484 H VAL 66 H VAL 66 -1.124 5.547 -3.964 485 HA VAL 66 HA VAL 66 -3.023 6.095 -1.779 486 HB VAL 66 HB VAL 66 -2.613 7.639 -4.344 487 HG11 VAL 66 1HG1 VAL 66 -4.023 9.318 -2.889 488 HG12 VAL 66 2HG1 VAL 66 -4.811 8.073 -3.860 489 HG13 VAL 66 3HG1 VAL 66 -4.590 7.833 -2.126 490 HG21 VAL 66 1HG2 VAL 66 -1.565 7.962 -1.576 491 HG22 VAL 66 2HG2 VAL 66 -0.772 8.252 -3.124 492 HG23 VAL 66 3HG2 VAL 66 -1.952 9.408 -2.509 493 H VAL 67 H VAL 67 -5.046 5.350 -1.917 494 HA VAL 67 HA VAL 67 -5.970 4.299 -4.512 495 HB VAL 67 HB VAL 67 -6.514 3.100 -1.792 496 HG11 VAL 67 1HG1 VAL 67 -7.887 2.874 -4.305 497 HG12 VAL 67 2HG1 VAL 67 -7.204 1.315 -3.839 498 HG13 VAL 67 3HG1 VAL 67 -8.293 2.166 -2.742 499 HG21 VAL 67 1HG2 VAL 67 -4.355 2.427 -2.241 500 HG22 VAL 67 2HG2 VAL 67 -5.288 1.129 -2.987 501 HG23 VAL 67 3HG2 VAL 67 -4.608 2.413 -3.987 502 H ARG 68 H ARG 68 -7.473 5.698 -5.183 503 HA ARG 68 HA ARG 68 -9.224 7.028 -3.291 504 HB2 ARG 68 1HB ARG 68 -8.993 7.217 -6.299 505 HB3 ARG 68 2HB ARG 68 -10.106 8.173 -5.329 506 HG2 ARG 68 1HG ARG 68 -7.149 8.209 -4.835 507 HG3 ARG 68 2HG ARG 68 -7.913 9.259 -6.030 508 HD2 ARG 68 1HD ARG 68 -9.162 10.391 -4.400 509 HD3 ARG 68 2HD ARG 68 -8.886 9.134 -3.194 510 HE ARG 68 HE ARG 68 -6.431 10.296 -3.972 511 HH11 ARG 68 2HH1 ARG 68 -9.299 10.959 -2.113 512 HH12 ARG 68 1HH1 ARG 68 -8.504 12.055 -1.033 513 HH21 ARG 68 2HH2 ARG 68 -5.372 11.737 -2.555 514 HH22 ARG 68 1HH2 ARG 68 -6.270 12.497 -1.286 515 H ASN 69 H ASN 69 -11.608 7.188 -3.961 516 HA ASN 69 HA ASN 69 -13.624 6.134 -4.034 517 HB2 ASN 69 1HB ASN 69 -12.133 4.844 -6.305 518 HB3 ASN 69 2HB ASN 69 -13.785 4.368 -5.924 519 HD21 ASN 69 1HD2 ASN 69 -15.295 5.402 -6.992 520 HD22 ASN 69 2HD2 ASN 69 -15.167 6.987 -7.668 521 H LEU 70 H LEU 70 -12.184 5.245 -1.948 522 HA LEU 70 HA LEU 70 -11.732 2.462 -1.850 523 HB2 LEU 70 1HB LEU 70 -12.053 4.629 0.168 524 HB3 LEU 70 2HB LEU 70 -12.106 2.952 0.708 525 HG LEU 70 HG LEU 70 -9.807 4.248 -0.757 526 HD11 LEU 70 1HD1 LEU 70 -9.100 4.984 1.207 527 HD12 LEU 70 2HD1 LEU 70 -9.136 3.341 1.846 528 HD13 LEU 70 3HD1 LEU 70 -10.565 4.367 1.973 529 HD21 LEU 70 1HD2 LEU 70 -10.195 1.494 0.399 530 HD22 LEU 70 2HD2 LEU 70 -8.622 2.157 -0.043 531 HD23 LEU 70 3HD2 LEU 70 -9.860 1.924 -1.278 532 H ARG 71 H ARG 71 -12.952 1.079 -0.157 533 HA ARG 71 HA ARG 71 -15.760 1.572 0.132 534 HB2 ARG 71 1HB ARG 71 -14.751 -0.215 -2.027 535 HB3 ARG 71 2HB ARG 71 -16.169 -0.738 -1.128 536 HG2 ARG 71 1HG ARG 71 -17.070 1.633 -1.657 537 HG3 ARG 71 2HG ARG 71 -15.831 1.630 -2.914 538 HD2 ARG 71 1HD ARG 71 -17.626 0.774 -4.064 539 HD3 ARG 71 2HD ARG 71 -16.853 -0.706 -3.496 540 HE ARG 71 HE ARG 71 -18.651 -0.071 -1.540 541 HH11 ARG 71 2HH1 ARG 71 -18.829 -0.633 -4.971 542 HH12 ARG 71 1HH1 ARG 71 -20.445 -1.254 -4.918 543 HH21 ARG 71 2HH2 ARG 71 -20.779 -0.887 -1.456 544 HH22 ARG 71 1HH2 ARG 71 -21.554 -1.398 -2.918 545 HA PRO 72 HA PRO 72 -15.280 -1.217 3.485 546 HB2 PRO 72 1HB PRO 72 -17.753 -2.326 3.650 547 HB3 PRO 72 2HB PRO 72 -17.416 -0.655 4.119 548 HG2 PRO 72 1HG PRO 72 -18.589 -1.707 1.574 549 HG3 PRO 72 2HG PRO 72 -19.084 -0.303 2.537 550 HD2 PRO 72 1HD PRO 72 -17.585 -0.076 0.294 551 HD3 PRO 72 2HD PRO 72 -17.422 1.037 1.668 552 H GLN 73 H GLN 73 -15.655 -2.307 0.357 553 HA GLN 73 HA GLN 73 -15.539 -5.138 1.140 554 HB2 GLN 73 1HB GLN 73 -16.016 -3.958 -1.602 555 HB3 GLN 73 2HB GLN 73 -16.117 -5.658 -1.166 556 HG2 GLN 73 1HG GLN 73 -17.860 -3.587 0.121 557 HG3 GLN 73 2HG GLN 73 -18.294 -4.365 -1.400 558 HE21 GLN 73 1HE2 GLN 73 -17.596 -6.916 -1.075 559 HE22 GLN 73 2HE2 GLN 73 -18.454 -7.637 0.239 560 H ASP 74 H ASP 74 -13.874 -2.634 -0.694 561 HA ASP 74 HA ASP 74 -11.870 -4.150 -1.876 562 HB2 ASP 74 1HB ASP 74 -12.004 -1.305 -0.929 563 HB3 ASP 74 2HB ASP 74 -10.494 -1.954 -1.562 564 H SER 75 H SER 75 -12.041 -2.786 1.380 565 HA SER 75 HA SER 75 -9.574 -3.053 2.393 566 HB2 SER 75 1HB SER 75 -10.647 -3.854 4.544 567 HB3 SER 75 2HB SER 75 -11.354 -2.395 3.849 568 HG SER 75 HG SER 75 -13.161 -3.429 3.535 569 H GLY 76 H GLY 76 -8.071 -4.556 2.101 570 HA2 GLY 76 1HA GLY 76 -8.774 -7.358 2.607 571 HA3 GLY 76 2HA GLY 76 -8.016 -6.960 1.072 572 H ARG 77 H ARG 77 -5.950 -7.514 1.078 573 HA ARG 77 HA ARG 77 -4.343 -6.879 3.460 574 HB2 ARG 77 1HB ARG 77 -4.833 -9.317 3.331 575 HB3 ARG 77 2HB ARG 77 -4.039 -9.361 1.763 576 HG2 ARG 77 1HG ARG 77 -1.981 -8.463 2.947 577 HG3 ARG 77 2HG ARG 77 -2.818 -8.846 4.453 578 HD2 ARG 77 1HD ARG 77 -1.452 -10.712 3.962 579 HD3 ARG 77 2HD ARG 77 -3.101 -11.187 3.556 580 HE ARG 77 HE ARG 77 -2.018 -10.211 1.225 581 HH11 ARG 77 2HH1 ARG 77 -1.270 -12.758 3.478 582 HH12 ARG 77 1HH1 ARG 77 -0.545 -13.781 2.282 583 HH21 ARG 77 2HH2 ARG 77 -1.065 -11.548 -0.358 584 HH22 ARG 77 1HH2 ARG 77 -0.428 -13.091 0.101 585 H TYR 78 H TYR 78 -3.062 -5.264 2.836 586 HA TYR 78 HA TYR 78 -2.097 -5.096 0.104 587 HB2 TYR 78 1HB TYR 78 -1.794 -3.272 2.493 588 HB3 TYR 78 2HB TYR 78 -1.057 -2.949 0.927 589 HD1 TYR 78 2HD TYR 78 -4.441 -4.008 2.133 590 HD2 TYR 78 1HD TYR 78 -2.171 -1.360 -0.304 591 HE1 TYR 78 2HE TYR 78 -6.519 -2.926 1.384 592 HE2 TYR 78 1HE TYR 78 -4.242 -0.270 -1.059 593 HH TYR 78 HH TYR 78 -7.383 -1.157 0.292 594 H SER 79 H SER 79 -0.128 -5.658 -0.577 595 HA SER 79 HA SER 79 2.039 -5.991 1.357 596 HB2 SER 79 1HB SER 79 1.248 -8.157 -0.606 597 HB3 SER 79 2HB SER 79 2.615 -8.209 0.506 598 HG SER 79 HG SER 79 0.941 -9.310 1.459 599 H CYS 80 H CYS 80 4.154 -6.106 0.368 600 HA CYS 80 HA CYS 80 4.291 -5.313 -2.443 601 HB2 CYS 80 1HB CYS 80 4.293 -3.178 -1.405 602 HB3 CYS 80 2HB CYS 80 5.370 -3.719 -0.123 603 HG CYS 80 HG CYS 80 6.100 -2.446 -3.098 604 H SER 81 H SER 81 5.905 -6.289 -3.493 605 HA SER 81 HA SER 81 7.716 -7.978 -1.970 606 HB2 SER 81 1HB SER 81 7.318 -7.722 -4.961 607 HB3 SER 81 2HB SER 81 8.314 -8.937 -4.160 608 HG SER 81 HG SER 81 5.506 -8.640 -4.110 609 H PHE 82 H PHE 82 9.469 -6.989 -1.195 610 HA PHE 82 HA PHE 82 11.118 -5.451 -3.076 611 HB2 PHE 82 1HB PHE 82 9.851 -3.903 -1.570 612 HB3 PHE 82 2HB PHE 82 10.662 -4.649 -0.196 613 HD1 PHE 82 2HD PHE 82 13.031 -4.280 0.201 614 HD2 PHE 82 1HD PHE 82 11.014 -2.407 -3.045 615 HE1 PHE 82 2HE PHE 82 14.911 -2.714 -0.058 616 HE2 PHE 82 1HE PHE 82 12.891 -0.838 -3.310 617 HZ PHE 82 HZ PHE 82 14.842 -0.989 -1.815 618 H GLY 83 H GLY 83 12.611 -7.070 -3.343 619 HA2 GLY 83 1HA GLY 83 14.689 -7.976 -2.791 620 HA3 GLY 83 2HA GLY 83 14.447 -7.457 -1.129 621 H ASP 84 H ASP 84 14.906 -9.333 -0.084 622 HA ASP 84 HA ASP 84 13.699 -11.826 -0.937 623 HB2 ASP 84 1HB ASP 84 15.893 -12.115 -0.147 624 HB3 ASP 84 2HB ASP 84 15.629 -11.061 1.239 625 H GLN 85 H GLN 85 13.401 -9.527 1.723 626 HA GLN 85 HA GLN 85 11.300 -11.102 2.969 627 HB2 GLN 85 1HB GLN 85 12.715 -8.551 3.702 628 HB3 GLN 85 2HB GLN 85 11.267 -9.070 4.554 629 HG2 GLN 85 1HG GLN 85 13.667 -10.844 4.263 630 HG3 GLN 85 2HG GLN 85 13.507 -9.680 5.577 631 HE21 GLN 85 1HE2 GLN 85 12.288 -10.183 7.298 632 HE22 GLN 85 2HE2 GLN 85 11.374 -11.640 7.464 633 H THR 86 H THR 86 9.158 -10.622 2.969 634 HA THR 86 HA THR 86 8.315 -8.340 1.303 635 HB THR 86 HB THR 86 6.771 -10.909 1.686 636 HG1 THR 86 1HG THR 86 8.136 -10.189 -0.686 637 HG21 THR 86 1HG2 THR 86 5.464 -10.118 -0.210 638 HG22 THR 86 2HG2 THR 86 6.470 -8.674 -0.324 639 HG23 THR 86 3HG2 THR 86 5.442 -8.923 1.086 640 H THR 87 H THR 87 6.934 -6.907 2.160 641 HA THR 87 HA THR 87 6.116 -7.284 4.928 642 HB THR 87 HB THR 87 7.161 -5.139 4.177 643 HG1 THR 87 1HG THR 87 5.269 -3.857 5.125 644 HG21 THR 87 1HG2 THR 87 4.928 -5.252 2.297 645 HG22 THR 87 2HG2 THR 87 6.427 -4.326 2.219 646 HG23 THR 87 3HG2 THR 87 5.056 -3.707 3.137 647 H SER 88 H SER 88 3.934 -6.790 5.626 648 HA SER 88 HA SER 88 1.822 -6.842 3.647 649 HB2 SER 88 1HB SER 88 0.767 -8.874 4.455 650 HB3 SER 88 2HB SER 88 2.416 -9.243 3.950 651 HG SER 88 HG SER 88 2.534 -10.088 5.877 652 H ALA 89 H ALA 89 0.228 -5.574 4.323 653 HA ALA 89 HA ALA 89 -0.217 -5.273 7.216 654 HB1 ALA 89 1HB ALA 89 -0.075 -3.065 5.172 655 HB2 ALA 89 2HB ALA 89 -0.683 -2.859 6.815 656 HB3 ALA 89 3HB ALA 89 0.998 -3.322 6.548 657 H THR 90 H THR 90 -2.371 -3.968 7.531 658 HA THR 90 HA THR 90 -4.377 -4.874 5.584 659 HB THR 90 HB THR 90 -4.668 -5.181 8.579 660 HG1 THR 90 1HG THR 90 -3.558 -6.946 8.152 661 HG21 THR 90 1HG2 THR 90 -6.850 -5.037 7.998 662 HG22 THR 90 2HG2 THR 90 -6.609 -6.702 7.468 663 HG23 THR 90 3HG2 THR 90 -6.528 -5.384 6.299 664 H LEU 91 H LEU 91 -6.192 -3.579 5.386 665 HA LEU 91 HA LEU 91 -6.142 -1.060 6.913 666 HB2 LEU 91 1HB LEU 91 -5.468 -0.469 4.748 667 HB3 LEU 91 2HB LEU 91 -6.631 -1.560 3.997 668 HG LEU 91 HG LEU 91 -8.409 0.027 5.020 669 HD11 LEU 91 1HD1 LEU 91 -7.615 2.362 5.177 670 HD12 LEU 91 2HD1 LEU 91 -5.955 1.777 5.058 671 HD13 LEU 91 3HD1 LEU 91 -6.954 1.320 6.438 672 HD21 LEU 91 1HD2 LEU 91 -8.626 0.965 2.966 673 HD22 LEU 91 2HD2 LEU 91 -7.431 -0.267 2.559 674 HD23 LEU 91 3HD2 LEU 91 -6.919 1.395 2.856 675 H THR 92 H THR 92 -8.038 -0.325 7.736 676 HA THR 92 HA THR 92 -10.376 -2.076 7.390 677 HB THR 92 HB THR 92 -9.807 -0.142 9.645 678 HG1 THR 92 1HG THR 92 -9.589 -2.266 10.781 679 HG21 THR 92 1HG2 THR 92 -11.661 -2.171 10.341 680 HG22 THR 92 2HG2 THR 92 -12.193 -1.463 8.816 681 HG23 THR 92 3HG2 THR 92 -11.937 -0.434 10.224 682 H VAL 93 H VAL 93 -12.122 -1.319 6.389 683 HA VAL 93 HA VAL 93 -12.348 1.593 5.990 684 HB VAL 93 HB VAL 93 -13.428 -0.601 4.216 685 HG11 VAL 93 1HG1 VAL 93 -13.361 1.800 2.822 686 HG12 VAL 93 2HG1 VAL 93 -14.792 0.988 3.459 687 HG13 VAL 93 3HG1 VAL 93 -13.983 2.231 4.414 688 HG21 VAL 93 1HG2 VAL 93 -11.155 1.301 3.671 689 HG22 VAL 93 2HG2 VAL 93 -10.943 -0.366 4.206 690 HG23 VAL 93 3HG2 VAL 93 -11.706 -0.029 2.652 691 H THR 94 H THR 94 -13.933 2.502 7.104 692 HA THR 94 HA THR 94 -16.114 0.881 8.141 693 HB THR 94 HB THR 94 -15.482 3.803 8.605 694 HG1 THR 94 1HG THR 94 -15.135 1.643 10.417 695 HG21 THR 94 1HG2 THR 94 -17.710 2.063 9.423 696 HG22 THR 94 2HG2 THR 94 -17.624 3.822 9.315 697 HG23 THR 94 3HG2 THR 94 -16.970 2.991 10.727 698 H ALA 95 H ALA 95 -18.299 1.272 7.756 699 HA ALA 95 HA ALA 95 -18.865 2.451 5.161 700 HB1 ALA 95 1HB ALA 95 -21.270 1.576 6.066 701 HB2 ALA 95 2HB ALA 95 -20.116 0.587 5.171 702 HB3 ALA 95 3HB ALA 95 -20.166 0.507 6.933 703 H LEU 96 H LEU 96 -19.290 4.551 5.039 704 HA LEU 96 HA LEU 96 -19.824 6.287 7.109 705 HB2 LEU 96 1HB LEU 96 -20.104 7.895 5.527 706 HB3 LEU 96 2HB LEU 96 -19.323 6.652 4.551 707 HG LEU 96 HG LEU 96 -21.712 5.955 3.898 708 HD11 LEU 96 1HD1 LEU 96 -22.629 8.694 4.216 709 HD12 LEU 96 2HD1 LEU 96 -22.396 7.868 5.756 710 HD13 LEU 96 3HD1 LEU 96 -23.464 7.174 4.536 711 HD21 LEU 96 1HD2 LEU 96 -21.618 8.381 2.523 712 HD22 LEU 96 2HD2 LEU 96 -20.921 6.841 2.020 713 HD23 LEU 96 3HD2 LEU 96 -19.940 8.004 2.913 714 HA PRO 97 HA PRO 97 -23.978 5.537 8.350 715 HB2 PRO 97 1HB PRO 97 -24.574 7.972 9.391 716 HB3 PRO 97 2HB PRO 97 -23.503 6.820 10.196 717 HG2 PRO 97 1HG PRO 97 -22.807 9.203 8.523 718 HG3 PRO 97 2HG PRO 97 -22.084 8.656 10.047 719 HD2 PRO 97 1HD PRO 97 -20.936 8.189 7.639 720 HD3 PRO 97 2HD PRO 97 -20.783 7.064 9.004 721 H SER 98 H SER 98 -25.254 5.247 6.570 722 HA SER 98 HA SER 98 -26.224 7.667 5.198 723 HB2 SER 98 1HB SER 98 -25.035 6.065 3.735 724 HB3 SER 98 2HB SER 98 -26.194 4.814 4.182 725 HG SER 98 HG SER 98 -26.508 7.027 2.521 726 H GLY 99 H GLY 99 -28.003 8.232 6.352 727 HA2 GLY 99 1HA GLY 99 -29.918 6.200 7.175 728 HA3 GLY 99 2HA GLY 99 -29.987 7.914 7.555 729 HA PRO 100 HA PRO 100 -32.629 6.604 3.739 730 HB2 PRO 100 1HB PRO 100 -34.954 5.852 4.923 731 HB3 PRO 100 2HB PRO 100 -33.666 4.709 4.522 732 HG2 PRO 100 1HG PRO 100 -34.312 5.990 7.150 733 HG3 PRO 100 2HG PRO 100 -33.868 4.308 6.804 734 HD2 PRO 100 1HD PRO 100 -32.097 6.112 7.773 735 HD3 PRO 100 2HD PRO 100 -31.618 4.794 6.684 736 H SER 101 H SER 101 -32.631 8.659 6.356 737 HA SER 101 HA SER 101 -34.856 10.256 5.270 738 HB2 SER 101 1HB SER 101 -35.105 11.256 7.467 739 HB3 SER 101 2HB SER 101 -35.143 9.501 7.629 740 HG SER 101 HG SER 101 -33.774 10.259 9.190 741 H SER 102 H SER 102 -34.572 12.640 5.522 742 HA SER 102 HA SER 102 -31.763 13.392 5.039 743 HB2 SER 102 1HB SER 102 -34.293 14.163 3.654 744 HB3 SER 102 2HB SER 102 -33.010 15.367 3.771 745 HG SER 102 HG SER 102 -33.165 13.562 1.970 746 H GLY 103 H GLY 103 -31.320 13.977 7.165 747 HA2 GLY 103 1HA GLY 103 -31.748 16.613 7.905 748 HA3 GLY 103 2HA GLY 103 -32.999 15.676 8.707 Start of MODEL 16 1 H1 GLY 1 H GLY 1 27.609 5.998 -3.973 2 HA2 GLY 1 1HA GLY 1 30.017 5.445 -2.541 3 HA3 GLY 1 2HA GLY 1 28.599 4.984 -1.609 4 H SER 2 H SER 2 27.334 3.251 -2.279 5 HA SER 2 HA SER 2 27.151 1.090 -3.022 6 HB2 SER 2 1HB SER 2 26.989 0.941 -5.516 7 HB3 SER 2 2HB SER 2 26.037 2.255 -4.825 8 HG SER 2 HG SER 2 28.657 2.808 -5.616 9 H SER 3 H SER 3 29.724 1.593 -2.076 10 HA SER 3 HA SER 3 31.674 0.661 -3.972 11 HB2 SER 3 1HB SER 3 32.171 2.215 -2.042 12 HB3 SER 3 2HB SER 3 31.972 0.831 -0.968 13 HG SER 3 HG SER 3 33.974 0.409 -1.405 14 H GLY 4 H GLY 4 32.288 -1.372 -4.375 15 HA2 GLY 4 1HA GLY 4 32.689 -3.634 -3.958 16 HA3 GLY 4 2HA GLY 4 31.847 -3.476 -2.424 17 H SER 5 H SER 5 29.733 -4.039 -2.284 18 HA SER 5 HA SER 5 28.461 -4.973 -4.773 19 HB2 SER 5 1HB SER 5 29.104 -6.736 -3.059 20 HB3 SER 5 2HB SER 5 27.881 -6.030 -2.002 21 HG SER 5 HG SER 5 27.548 -7.359 -4.465 22 H SER 6 H SER 6 26.118 -4.849 -4.850 23 HA SER 6 HA SER 6 25.054 -2.385 -4.472 24 HB2 SER 6 1HB SER 6 23.500 -4.971 -4.209 25 HB3 SER 6 2HB SER 6 22.834 -3.394 -4.635 26 HG SER 6 HG SER 6 23.577 -5.107 -6.332 27 H GLY 7 H GLY 7 24.422 -5.109 -2.246 28 HA2 GLY 7 1HA GLY 7 24.786 -4.722 0.155 29 HA3 GLY 7 2HA GLY 7 24.126 -3.111 -0.088 30 HA PRO 8 HA PRO 8 20.829 -6.505 0.844 31 HB2 PRO 8 1HB PRO 8 20.824 -6.525 3.558 32 HB3 PRO 8 2HB PRO 8 21.804 -7.633 2.591 33 HG2 PRO 8 1HG PRO 8 22.606 -5.092 3.956 34 HG3 PRO 8 2HG PRO 8 23.466 -6.641 3.881 35 HD2 PRO 8 1HD PRO 8 24.115 -4.538 2.304 36 HD3 PRO 8 2HD PRO 8 24.297 -6.222 1.772 37 H VAL 9 H VAL 9 18.738 -6.069 1.816 38 HA VAL 9 HA VAL 9 18.328 -3.319 2.743 39 HB VAL 9 HB VAL 9 16.758 -4.594 0.499 40 HG11 VAL 9 1HG1 VAL 9 15.558 -3.104 2.258 41 HG12 VAL 9 2HG1 VAL 9 16.394 -1.781 1.443 42 HG13 VAL 9 3HG1 VAL 9 15.284 -2.813 0.541 43 HG21 VAL 9 1HG2 VAL 9 18.537 -3.788 -0.649 44 HG22 VAL 9 2HG2 VAL 9 17.638 -2.276 -0.512 45 HG23 VAL 9 3HG2 VAL 9 18.958 -2.621 0.605 46 H ARG 10 H ARG 10 17.114 -3.292 4.511 47 HA ARG 10 HA ARG 10 15.285 -5.554 4.990 48 HB2 ARG 10 1HB ARG 10 16.892 -3.926 6.963 49 HB3 ARG 10 2HB ARG 10 15.636 -5.065 7.428 50 HG2 ARG 10 1HG ARG 10 16.915 -6.864 6.309 51 HG3 ARG 10 2HG ARG 10 18.201 -5.699 5.987 52 HD2 ARG 10 1HD ARG 10 18.851 -6.846 7.941 53 HD3 ARG 10 2HD ARG 10 18.255 -5.277 8.482 54 HE ARG 10 HE ARG 10 16.130 -7.089 8.554 55 HH11 ARG 10 2HH1 ARG 10 19.175 -6.522 10.143 56 HH12 ARG 10 1HH1 ARG 10 18.676 -7.239 11.639 57 HH21 ARG 10 2HH2 ARG 10 15.461 -8.035 10.519 58 HH22 ARG 10 1HH2 ARG 10 16.564 -8.100 11.852 59 H PHE 11 H PHE 11 13.238 -5.133 5.756 60 HA PHE 11 HA PHE 11 12.068 -2.673 5.043 61 HB2 PHE 11 1HB PHE 11 11.151 -5.152 6.409 62 HB3 PHE 11 2HB PHE 11 10.162 -3.709 6.607 63 HD1 PHE 11 2HD PHE 11 9.848 -2.393 4.255 64 HD2 PHE 11 1HD PHE 11 10.519 -6.568 4.733 65 HE1 PHE 11 2HE PHE 11 8.804 -2.808 2.066 66 HE2 PHE 11 1HE PHE 11 9.477 -6.990 2.545 67 HZ PHE 11 HZ PHE 11 8.616 -5.109 1.209 68 H GLN 12 H GLN 12 13.418 -1.156 6.192 69 HA GLN 12 HA GLN 12 13.826 -0.968 8.898 70 HB2 GLN 12 1HB GLN 12 14.883 0.580 7.397 71 HB3 GLN 12 2HB GLN 12 13.330 1.231 6.891 72 HG2 GLN 12 1HG GLN 12 14.303 2.806 8.360 73 HG3 GLN 12 2HG GLN 12 12.992 2.020 9.238 74 HE21 GLN 12 1HE2 GLN 12 13.569 0.327 10.744 75 HE22 GLN 12 2HE2 GLN 12 15.092 0.397 11.557 76 H GLU 13 H GLU 13 11.101 0.466 7.100 77 HA GLU 13 HA GLU 13 9.501 0.283 9.559 78 HB2 GLU 13 1HB GLU 13 10.429 2.655 8.837 79 HB3 GLU 13 2HB GLU 13 9.073 2.595 7.721 80 HG2 GLU 13 1HG GLU 13 8.468 3.763 9.752 81 HG3 GLU 13 2HG GLU 13 7.539 2.274 9.587 82 H ALA 14 H ALA 14 9.179 -1.723 7.977 83 HA ALA 14 HA ALA 14 7.769 -1.739 5.674 84 HB1 ALA 14 1HB ALA 14 8.252 -3.582 7.724 85 HB2 ALA 14 2HB ALA 14 6.510 -3.611 7.452 86 HB3 ALA 14 3HB ALA 14 7.616 -3.909 6.112 87 H LEU 15 H LEU 15 5.463 -2.030 5.200 88 HA LEU 15 HA LEU 15 3.907 0.114 5.982 89 HB2 LEU 15 1HB LEU 15 2.857 -2.557 5.067 90 HB3 LEU 15 2HB LEU 15 2.045 -0.998 4.937 91 HG LEU 15 HG LEU 15 4.661 -1.372 3.556 92 HD11 LEU 15 1HD1 LEU 15 2.697 -3.234 3.165 93 HD12 LEU 15 2HD1 LEU 15 3.931 -2.786 1.988 94 HD13 LEU 15 3HD1 LEU 15 2.336 -2.037 1.920 95 HD21 LEU 15 1HD2 LEU 15 3.920 0.784 3.284 96 HD22 LEU 15 2HD2 LEU 15 2.219 0.318 3.289 97 HD23 LEU 15 3HD2 LEU 15 3.214 0.010 1.865 98 H LYS 16 H LYS 16 1.489 -0.472 6.829 99 HA LYS 16 HA LYS 16 1.332 -2.293 9.000 100 HB2 LYS 16 1HB LYS 16 1.177 -0.611 10.823 101 HB3 LYS 16 2HB LYS 16 2.788 -0.735 10.129 102 HG2 LYS 16 1HG LYS 16 2.596 1.524 10.220 103 HG3 LYS 16 2HG LYS 16 1.898 1.247 8.622 104 HD2 LYS 16 1HD LYS 16 -0.241 1.676 9.334 105 HD3 LYS 16 2HD LYS 16 0.098 1.184 10.995 106 HE2 LYS 16 1HE LYS 16 -0.243 3.577 10.899 107 HE3 LYS 16 2HE LYS 16 1.438 3.228 11.299 108 HZ1 LYS 16 1HZ LYS 16 0.910 5.004 9.531 109 HZ2 LYS 16 2HZ LYS 16 0.651 3.689 8.498 110 HZ3 LYS 16 3HZ LYS 16 2.161 3.904 9.232 111 H ASP 17 H ASP 17 -0.754 -2.540 9.721 112 HA ASP 17 HA ASP 17 -2.892 -2.035 8.185 113 HB2 ASP 17 1HB ASP 17 -3.273 -3.411 10.048 114 HB3 ASP 17 2HB ASP 17 -2.697 -2.192 11.181 115 H LEU 18 H LEU 18 -4.375 -0.438 7.803 116 HA LEU 18 HA LEU 18 -3.831 2.184 9.032 117 HB2 LEU 18 1HB LEU 18 -4.781 1.719 6.213 118 HB3 LEU 18 2HB LEU 18 -4.343 3.260 6.947 119 HG LEU 18 HG LEU 18 -2.005 2.015 7.220 120 HD11 LEU 18 1HD1 LEU 18 -3.161 -0.014 6.067 121 HD12 LEU 18 2HD1 LEU 18 -1.513 0.430 5.626 122 HD13 LEU 18 3HD1 LEU 18 -2.860 0.898 4.588 123 HD21 LEU 18 1HD2 LEU 18 -1.827 2.879 4.612 124 HD22 LEU 18 2HD2 LEU 18 -1.635 3.879 6.051 125 HD23 LEU 18 3HD2 LEU 18 -3.201 3.785 5.245 126 H GLU 19 H GLU 19 -5.655 3.630 9.176 127 HA GLU 19 HA GLU 19 -8.257 2.253 9.118 128 HB2 GLU 19 1HB GLU 19 -7.266 2.559 11.436 129 HB3 GLU 19 2HB GLU 19 -7.463 4.289 11.196 130 HG2 GLU 19 1HG GLU 19 -9.916 3.774 10.737 131 HG3 GLU 19 2HG GLU 19 -9.581 2.183 11.417 132 H VAL 20 H VAL 20 -9.421 3.171 7.565 133 HA VAL 20 HA VAL 20 -9.541 6.107 7.462 134 HB VAL 20 HB VAL 20 -9.385 4.298 5.047 135 HG11 VAL 20 1HG1 VAL 20 -9.156 6.683 3.968 136 HG12 VAL 20 2HG1 VAL 20 -10.744 5.986 4.296 137 HG13 VAL 20 3HG1 VAL 20 -10.057 7.178 5.400 138 HG21 VAL 20 1HG2 VAL 20 -7.204 4.825 4.819 139 HG22 VAL 20 2HG2 VAL 20 -7.425 6.462 5.437 140 HG23 VAL 20 3HG2 VAL 20 -7.297 5.107 6.557 141 H LEU 21 H LEU 21 -11.515 6.976 6.693 142 HA LEU 21 HA LEU 21 -13.787 5.210 7.154 143 HB2 LEU 21 1HB LEU 21 -13.434 7.567 8.161 144 HB3 LEU 21 2HB LEU 21 -13.972 8.145 6.586 145 HG LEU 21 HG LEU 21 -16.080 6.807 6.943 146 HD11 LEU 21 1HD1 LEU 21 -15.621 6.845 9.853 147 HD12 LEU 21 2HD1 LEU 21 -14.754 5.604 8.950 148 HD13 LEU 21 3HD1 LEU 21 -16.512 5.696 8.855 149 HD21 LEU 21 1HD2 LEU 21 -15.831 9.279 7.301 150 HD22 LEU 21 2HD2 LEU 21 -15.594 8.938 9.015 151 HD23 LEU 21 3HD2 LEU 21 -17.118 8.514 8.234 152 H GLU 22 H GLU 22 -15.398 4.805 5.676 153 HA GLU 22 HA GLU 22 -14.791 4.487 3.026 154 HB2 GLU 22 1HB GLU 22 -16.696 3.357 3.783 155 HB3 GLU 22 2HB GLU 22 -17.416 4.819 4.444 156 HG2 GLU 22 1HG GLU 22 -18.090 5.582 2.348 157 HG3 GLU 22 2HG GLU 22 -16.993 4.493 1.499 158 H GLY 23 H GLY 23 -15.259 5.605 1.105 159 HA2 GLY 23 1HA GLY 23 -15.817 7.444 -0.213 160 HA3 GLY 23 2HA GLY 23 -16.302 8.306 1.239 161 H GLY 24 H GLY 24 -13.253 6.895 1.571 162 HA2 GLY 24 1HA GLY 24 -11.970 9.474 0.904 163 HA3 GLY 24 2HA GLY 24 -11.511 8.498 2.291 164 H ALA 25 H ALA 25 -9.371 8.280 1.673 165 HA ALA 25 HA ALA 25 -8.933 6.366 -0.501 166 HB1 ALA 25 1HB ALA 25 -8.340 8.232 -1.707 167 HB2 ALA 25 2HB ALA 25 -7.735 9.090 -0.290 168 HB3 ALA 25 3HB ALA 25 -6.791 7.778 -0.995 169 H ALA 26 H ALA 26 -7.001 5.136 -0.302 170 HA ALA 26 HA ALA 26 -5.882 5.156 2.425 171 HB1 ALA 26 1HB ALA 26 -5.644 2.804 2.327 172 HB2 ALA 26 2HB ALA 26 -7.269 3.161 1.740 173 HB3 ALA 26 3HB ALA 26 -5.984 2.769 0.597 174 H THR 27 H THR 27 -3.795 5.615 2.614 175 HA THR 27 HA THR 27 -2.078 5.339 0.233 176 HB THR 27 HB THR 27 -1.839 7.343 2.486 177 HG1 THR 27 1HG THR 27 -3.434 7.986 1.064 178 HG21 THR 27 1HG2 THR 27 0.120 8.139 1.536 179 HG22 THR 27 2HG2 THR 27 -0.216 7.397 -0.028 180 HG23 THR 27 3HG2 THR 27 0.297 6.397 1.331 181 H LEU 28 H LEU 28 -0.184 4.258 0.414 182 HA LEU 28 HA LEU 28 0.377 3.009 3.013 183 HB2 LEU 28 1HB LEU 28 0.947 2.200 0.183 184 HB3 LEU 28 2HB LEU 28 1.824 1.481 1.532 185 HG LEU 28 HG LEU 28 -0.516 0.884 2.445 186 HD11 LEU 28 1HD1 LEU 28 -1.174 2.090 -0.104 187 HD12 LEU 28 2HD1 LEU 28 -2.223 1.646 1.242 188 HD13 LEU 28 3HD1 LEU 28 -1.789 0.442 0.029 189 HD21 LEU 28 1HD2 LEU 28 -0.175 -0.759 0.071 190 HD22 LEU 28 2HD2 LEU 28 -0.020 -1.185 1.776 191 HD23 LEU 28 3HD2 LEU 28 1.343 -0.463 0.919 192 H ARG 29 H ARG 29 2.273 3.314 4.039 193 HA ARG 29 HA ARG 29 4.428 4.713 2.616 194 HB2 ARG 29 1HB ARG 29 2.976 5.585 5.060 195 HB3 ARG 29 2HB ARG 29 4.716 5.840 5.023 196 HG2 ARG 29 1HG ARG 29 4.364 6.992 2.798 197 HG3 ARG 29 2HG ARG 29 2.638 6.953 3.164 198 HD2 ARG 29 1HD ARG 29 4.733 8.175 4.955 199 HD3 ARG 29 2HD ARG 29 3.771 9.084 3.790 200 HE ARG 29 HE ARG 29 2.148 7.567 5.584 201 HH11 ARG 29 2HH1 ARG 29 3.974 10.512 5.251 202 HH12 ARG 29 1HH1 ARG 29 3.043 11.377 6.428 203 HH21 ARG 29 2HH2 ARG 29 0.914 8.695 7.136 204 HH22 ARG 29 1HH2 ARG 29 1.303 10.342 7.501 205 H CYS 30 H CYS 30 6.354 3.792 2.896 206 HA CYS 30 HA CYS 30 7.082 2.495 5.361 207 HB2 CYS 30 1HB CYS 30 7.456 0.287 4.462 208 HB3 CYS 30 2HB CYS 30 5.779 0.734 4.171 209 HG CYS 30 HG CYS 30 5.822 0.632 1.578 210 H VAL 31 H VAL 31 9.210 2.688 5.694 211 HA VAL 31 HA VAL 31 10.865 3.585 3.436 212 HB VAL 31 HB VAL 31 11.229 3.944 6.411 213 HG11 VAL 31 1HG1 VAL 31 13.050 4.911 4.212 214 HG12 VAL 31 2HG1 VAL 31 13.270 5.122 5.950 215 HG13 VAL 31 3HG1 VAL 31 13.377 3.513 5.235 216 HG21 VAL 31 1HG2 VAL 31 10.389 6.004 6.161 217 HG22 VAL 31 2HG2 VAL 31 11.258 6.277 4.652 218 HG23 VAL 31 3HG2 VAL 31 9.729 5.400 4.641 219 H LEU 32 H LEU 32 12.677 2.512 2.838 220 HA LEU 32 HA LEU 32 13.203 -0.040 4.197 221 HB2 LEU 32 1HB LEU 32 14.117 0.780 1.451 222 HB3 LEU 32 2HB LEU 32 14.122 -0.838 2.150 223 HG LEU 32 HG LEU 32 11.539 0.616 1.722 224 HD11 LEU 32 1HD1 LEU 32 12.821 0.689 -0.402 225 HD12 LEU 32 2HD1 LEU 32 11.353 -0.284 -0.494 226 HD13 LEU 32 3HD1 LEU 32 12.926 -1.071 -0.355 227 HD21 LEU 32 1HD2 LEU 32 11.288 -1.346 2.988 228 HD22 LEU 32 2HD2 LEU 32 12.415 -2.247 1.974 229 HD23 LEU 32 3HD2 LEU 32 10.828 -1.799 1.347 230 H SER 33 H SER 33 15.461 -0.766 4.292 231 HA SER 33 HA SER 33 17.117 0.924 5.667 232 HB2 SER 33 1HB SER 33 17.456 -1.508 5.561 233 HB3 SER 33 2HB SER 33 17.973 -1.368 3.881 234 HG SER 33 HG SER 33 19.528 0.267 5.014 235 H SER 34 H SER 34 17.032 0.371 2.177 236 HA SER 34 HA SER 34 18.366 2.922 1.760 237 HB2 SER 34 1HB SER 34 19.525 0.270 0.954 238 HB3 SER 34 2HB SER 34 19.856 1.712 -0.005 239 HG SER 34 HG SER 34 20.542 2.676 2.052 240 H VAL 35 H VAL 35 17.819 3.907 -0.149 241 HA VAL 35 HA VAL 35 15.413 3.293 -1.365 242 HB VAL 35 HB VAL 35 16.250 5.496 -1.621 243 HG11 VAL 35 1HG1 VAL 35 18.396 5.261 -3.451 244 HG12 VAL 35 2HG1 VAL 35 18.426 5.891 -1.803 245 HG13 VAL 35 3HG1 VAL 35 18.727 4.178 -2.099 246 HG21 VAL 35 1HG2 VAL 35 16.578 4.375 -4.384 247 HG22 VAL 35 2HG2 VAL 35 15.011 4.388 -3.575 248 HG23 VAL 35 3HG2 VAL 35 15.854 5.905 -3.890 249 H ALA 36 H ALA 36 14.773 2.087 -3.072 250 HA ALA 36 HA ALA 36 16.656 1.003 -4.965 251 HB1 ALA 36 1HB ALA 36 15.236 -0.848 -3.054 252 HB2 ALA 36 2HB ALA 36 16.125 -1.356 -4.491 253 HB3 ALA 36 3HB ALA 36 16.976 -0.574 -3.159 254 H ALA 37 H ALA 37 15.653 0.054 -6.785 255 HA ALA 37 HA ALA 37 12.887 -0.432 -7.006 256 HB1 ALA 37 1HB ALA 37 12.073 1.630 -7.187 257 HB2 ALA 37 2HB ALA 37 13.688 2.335 -7.273 258 HB3 ALA 37 3HB ALA 37 12.909 1.735 -8.737 259 HA PRO 38 HA PRO 38 11.470 0.373 -9.022 260 HB2 PRO 38 1HB PRO 38 10.092 -1.507 -10.413 261 HB3 PRO 38 2HB PRO 38 10.833 -0.097 -11.179 262 HG2 PRO 38 1HG PRO 38 11.847 -2.908 -11.005 263 HG3 PRO 38 2HG PRO 38 11.857 -1.798 -12.388 264 HD2 PRO 38 1HD PRO 38 14.045 -2.236 -10.855 265 HD3 PRO 38 2HD PRO 38 13.721 -0.673 -11.632 266 H VAL 39 H VAL 39 9.519 -0.612 -8.027 267 HA VAL 39 HA VAL 39 10.268 -2.874 -6.292 268 HB VAL 39 HB VAL 39 8.167 -0.804 -5.669 269 HG11 VAL 39 1HG1 VAL 39 8.347 -1.630 -3.412 270 HG12 VAL 39 2HG1 VAL 39 8.043 -2.985 -4.500 271 HG13 VAL 39 3HG1 VAL 39 9.667 -2.705 -3.872 272 HG21 VAL 39 1HG2 VAL 39 10.484 -0.490 -4.047 273 HG22 VAL 39 2HG2 VAL 39 10.976 -0.432 -5.739 274 HG23 VAL 39 3HG2 VAL 39 9.739 0.674 -5.143 275 H LYS 40 H LYS 40 8.663 -4.422 -5.764 276 HA LYS 40 HA LYS 40 6.534 -4.622 -7.786 277 HB2 LYS 40 1HB LYS 40 8.363 -6.399 -7.674 278 HB3 LYS 40 2HB LYS 40 7.643 -6.898 -6.149 279 HG2 LYS 40 1HG LYS 40 6.711 -8.341 -7.713 280 HG3 LYS 40 2HG LYS 40 5.461 -7.119 -7.470 281 HD2 LYS 40 1HD LYS 40 6.281 -5.944 -9.492 282 HD3 LYS 40 2HD LYS 40 7.431 -7.258 -9.752 283 HE2 LYS 40 1HE LYS 40 4.494 -7.799 -9.485 284 HE3 LYS 40 2HE LYS 40 5.187 -7.298 -11.026 285 HZ1 LYS 40 1HZ LYS 40 6.088 -9.653 -9.458 286 HZ2 LYS 40 2HZ LYS 40 6.632 -9.199 -10.994 287 HZ3 LYS 40 3HZ LYS 40 5.038 -9.724 -10.783 288 H TRP 41 H TRP 41 4.466 -4.637 -7.164 289 HA TRP 41 HA TRP 41 3.909 -4.764 -4.276 290 HB2 TRP 41 1HB TRP 41 2.445 -3.367 -6.518 291 HB3 TRP 41 2HB TRP 41 1.782 -3.545 -4.896 292 HD1 TRP 41 HD TRP 41 5.026 -2.102 -6.486 293 HE1 TRP 41 1HE TRP 41 5.671 0.012 -5.169 294 HE3 TRP 41 3HE TRP 41 1.329 -2.185 -2.956 295 HZ2 TRP 41 2HZ TRP 41 4.737 1.454 -2.929 296 HZ3 TRP 41 3HZ TRP 41 1.276 -0.402 -1.261 297 HH2 TRP 41 HH TRP 41 2.946 1.379 -1.249 298 H CYS 42 H CYS 42 1.813 -5.704 -3.655 299 HA CYS 42 HA CYS 42 0.623 -7.565 -5.543 300 HB2 CYS 42 1HB CYS 42 2.328 -8.381 -3.245 301 HB3 CYS 42 2HB CYS 42 0.866 -9.316 -3.535 302 HG CYS 42 HG CYS 42 2.598 -8.837 -6.330 303 H TYR 43 H TYR 43 -1.504 -7.833 -5.188 304 HA TYR 43 HA TYR 43 -2.639 -7.377 -2.556 305 HB2 TYR 43 1HB TYR 43 -2.886 -5.163 -3.123 306 HB3 TYR 43 2HB TYR 43 -2.970 -5.502 -4.848 307 HD1 TYR 43 1HD TYR 43 -5.101 -6.376 -5.823 308 HD2 TYR 43 2HD TYR 43 -4.853 -4.989 -1.809 309 HE1 TYR 43 1HE TYR 43 -7.551 -6.173 -5.749 310 HE2 TYR 43 2HE TYR 43 -7.302 -4.783 -1.723 311 HH TYR 43 HH TYR 43 -9.318 -5.638 -4.522 312 H GLY 44 H GLY 44 -4.359 -8.653 -2.204 313 HA2 GLY 44 1HA GLY 44 -5.679 -10.519 -2.649 314 HA3 GLY 44 2HA GLY 44 -6.475 -9.338 -3.678 315 H ASN 45 H ASN 45 -3.519 -11.336 -3.806 316 HA ASN 45 HA ASN 45 -2.591 -12.545 -5.498 317 HB2 ASN 45 1HB ASN 45 -4.777 -13.793 -4.969 318 HB3 ASN 45 2HB ASN 45 -5.399 -13.076 -6.452 319 HD21 ASN 45 1HD2 ASN 45 -5.596 -14.943 -7.593 320 HD22 ASN 45 2HD2 ASN 45 -4.251 -15.907 -8.090 321 H ASN 46 H ASN 46 -2.529 -9.913 -6.084 322 HA ASN 46 HA ASN 46 -2.557 -9.943 -8.964 323 HB2 ASN 46 1HB ASN 46 -4.372 -8.082 -7.423 324 HB3 ASN 46 2HB ASN 46 -3.899 -7.801 -9.096 325 HD21 ASN 46 1HD2 ASN 46 -4.602 -9.255 -10.701 326 HD22 ASN 46 2HD2 ASN 46 -5.985 -10.260 -10.450 327 H VAL 47 H VAL 47 -2.045 -7.451 -9.649 328 HA VAL 47 HA VAL 47 0.216 -6.649 -7.935 329 HB VAL 47 HB VAL 47 0.990 -7.524 -10.069 330 HG11 VAL 47 1HG1 VAL 47 0.309 -6.743 -12.163 331 HG12 VAL 47 2HG1 VAL 47 -1.194 -6.868 -11.246 332 HG13 VAL 47 3HG1 VAL 47 -0.433 -5.295 -11.484 333 HG21 VAL 47 1HG2 VAL 47 2.227 -5.504 -10.871 334 HG22 VAL 47 2HG2 VAL 47 1.244 -4.535 -9.773 335 HG23 VAL 47 3HG2 VAL 47 2.322 -5.774 -9.131 336 H LEU 48 H LEU 48 0.369 -4.571 -7.293 337 HA LEU 48 HA LEU 48 -1.846 -2.796 -7.995 338 HB2 LEU 48 1HB LEU 48 0.247 -2.562 -5.838 339 HB3 LEU 48 2HB LEU 48 -1.107 -1.459 -6.075 340 HG LEU 48 HG LEU 48 -1.406 -4.382 -5.395 341 HD11 LEU 48 1HD1 LEU 48 -0.971 -1.996 -3.703 342 HD12 LEU 48 2HD1 LEU 48 -0.560 -3.686 -3.414 343 HD13 LEU 48 3HD1 LEU 48 -2.218 -3.130 -3.183 344 HD21 LEU 48 1HD2 LEU 48 -3.349 -3.526 -6.496 345 HD22 LEU 48 2HD2 LEU 48 -3.337 -2.070 -5.500 346 HD23 LEU 48 3HD2 LEU 48 -3.703 -3.635 -4.772 347 H ARG 49 H ARG 49 -1.221 -2.034 -10.010 348 HA ARG 49 HA ARG 49 1.332 -0.599 -10.173 349 HB2 ARG 49 1HB ARG 49 -0.592 -1.572 -12.282 350 HB3 ARG 49 2HB ARG 49 0.752 -0.498 -12.645 351 HG2 ARG 49 1HG ARG 49 2.216 -2.291 -11.528 352 HG3 ARG 49 2HG ARG 49 0.815 -3.346 -11.732 353 HD2 ARG 49 1HD ARG 49 2.102 -1.792 -13.971 354 HD3 ARG 49 2HD ARG 49 2.492 -3.467 -13.582 355 HE ARG 49 HE ARG 49 -0.259 -3.332 -13.907 356 HH11 ARG 49 2HH1 ARG 49 2.600 -2.825 -15.828 357 HH12 ARG 49 1HH1 ARG 49 1.839 -3.279 -17.316 358 HH21 ARG 49 2HH2 ARG 49 -1.272 -3.931 -15.860 359 HH22 ARG 49 1HH2 ARG 49 -0.364 -3.907 -17.333 360 HA PRO 50 HA PRO 50 -0.526 3.375 -10.049 361 HB2 PRO 50 1HB PRO 50 1.061 4.762 -11.760 362 HB3 PRO 50 2HB PRO 50 1.598 4.244 -10.158 363 HG2 PRO 50 1HG PRO 50 2.115 2.990 -12.827 364 HG3 PRO 50 2HG PRO 50 3.235 3.248 -11.476 365 HD2 PRO 50 1HD PRO 50 2.072 0.852 -11.968 366 HD3 PRO 50 2HD PRO 50 2.473 1.401 -10.327 367 H GLY 51 H GLY 51 -1.691 4.975 -11.289 368 HA2 GLY 51 1HA GLY 51 -2.118 5.126 -13.974 369 HA3 GLY 51 2HA GLY 51 -3.146 3.792 -13.474 370 H ASP 52 H ASP 52 -5.140 4.643 -13.690 371 HA ASP 52 HA ASP 52 -5.715 7.314 -12.709 372 HB2 ASP 52 1HB ASP 52 -6.670 6.252 -14.855 373 HB3 ASP 52 2HB ASP 52 -7.747 5.368 -13.778 374 H LYS 53 H LYS 53 -6.308 3.977 -11.824 375 HA LYS 53 HA LYS 53 -8.058 4.736 -9.630 376 HB2 LYS 53 1HB LYS 53 -8.619 2.725 -10.867 377 HB3 LYS 53 2HB LYS 53 -7.029 2.045 -10.547 378 HG2 LYS 53 1HG LYS 53 -8.428 0.964 -9.038 379 HG3 LYS 53 2HG LYS 53 -7.653 2.223 -8.073 380 HD2 LYS 53 1HD LYS 53 -9.595 3.593 -8.153 381 HD3 LYS 53 2HD LYS 53 -10.345 2.569 -9.380 382 HE2 LYS 53 1HE LYS 53 -9.602 1.437 -6.712 383 HE3 LYS 53 2HE LYS 53 -11.091 2.361 -6.899 384 HZ1 LYS 53 1HZ LYS 53 -12.074 0.673 -7.935 385 HZ2 LYS 53 2HZ LYS 53 -10.796 -0.294 -7.393 386 HZ3 LYS 53 3HZ LYS 53 -10.746 0.382 -8.943 387 H TYR 54 H TYR 54 -4.805 3.469 -10.142 388 HA TYR 54 HA TYR 54 -4.260 3.917 -7.280 389 HB2 TYR 54 1HB TYR 54 -3.114 1.854 -9.163 390 HB3 TYR 54 2HB TYR 54 -2.411 2.216 -7.591 391 HD1 TYR 54 1HD TYR 54 -3.759 1.783 -5.521 392 HD2 TYR 54 2HD TYR 54 -5.010 0.450 -9.363 393 HE1 TYR 54 1HE TYR 54 -5.305 0.191 -4.459 394 HE2 TYR 54 2HE TYR 54 -6.560 -1.144 -8.312 395 HH TYR 54 HH TYR 54 -7.271 -1.068 -4.943 396 H SER 55 H SER 55 -1.782 4.196 -6.939 397 HA SER 55 HA SER 55 -0.395 5.559 -9.068 398 HB2 SER 55 1HB SER 55 -1.720 7.045 -6.849 399 HB3 SER 55 2HB SER 55 -0.119 7.585 -7.353 400 HG SER 55 HG SER 55 -2.021 8.517 -8.470 401 H LEU 56 H LEU 56 1.801 5.740 -8.700 402 HA LEU 56 HA LEU 56 2.805 4.833 -6.094 403 HB2 LEU 56 1HB LEU 56 3.482 3.739 -8.804 404 HB3 LEU 56 2HB LEU 56 4.593 3.588 -7.444 405 HG LEU 56 HG LEU 56 2.728 2.404 -6.214 406 HD11 LEU 56 1HD1 LEU 56 0.715 2.224 -7.121 407 HD12 LEU 56 2HD1 LEU 56 1.393 1.464 -8.561 408 HD13 LEU 56 3HD1 LEU 56 1.260 3.220 -8.470 409 HD21 LEU 56 1HD2 LEU 56 4.365 0.951 -6.880 410 HD22 LEU 56 2HD2 LEU 56 4.194 1.363 -8.587 411 HD23 LEU 56 3HD2 LEU 56 3.000 0.324 -7.806 412 H ARG 57 H ARG 57 4.533 5.927 -5.350 413 HA ARG 57 HA ARG 57 6.155 7.507 -7.190 414 HB2 ARG 57 1HB ARG 57 4.629 8.680 -4.861 415 HB3 ARG 57 2HB ARG 57 5.941 9.508 -5.688 416 HG2 ARG 57 1HG ARG 57 4.500 9.056 -7.817 417 HG3 ARG 57 2HG ARG 57 3.191 8.887 -6.646 418 HD2 ARG 57 1HD ARG 57 4.133 11.139 -5.712 419 HD3 ARG 57 2HD ARG 57 4.843 11.281 -7.319 420 HE ARG 57 HE ARG 57 2.217 10.686 -7.776 421 HH11 ARG 57 2HH1 ARG 57 3.918 13.164 -6.020 422 HH12 ARG 57 1HH1 ARG 57 2.692 14.364 -6.268 423 HH21 ARG 57 2HH2 ARG 57 0.596 12.256 -8.109 424 HH22 ARG 57 1HH2 ARG 57 0.803 13.845 -7.456 425 H GLN 58 H GLN 58 8.201 7.072 -6.737 426 HA GLN 58 HA GLN 58 8.918 6.056 -4.103 427 HB2 GLN 58 1HB GLN 58 9.658 5.088 -6.409 428 HB3 GLN 58 2HB GLN 58 10.851 6.379 -6.372 429 HG2 GLN 58 1HG GLN 58 12.070 4.732 -5.411 430 HG3 GLN 58 2HG GLN 58 11.312 5.394 -3.964 431 HE21 GLN 58 1HE2 GLN 58 12.098 3.051 -3.465 432 HE22 GLN 58 2HE2 GLN 58 10.872 1.840 -3.589 433 H GLU 59 H GLU 59 9.993 7.182 -2.606 434 HA GLU 59 HA GLU 59 11.255 9.719 -3.407 435 HB2 GLU 59 1HB GLU 59 8.969 9.805 -2.127 436 HB3 GLU 59 2HB GLU 59 9.957 9.424 -0.724 437 HG2 GLU 59 1HG GLU 59 11.340 11.409 -1.197 438 HG3 GLU 59 2HG GLU 59 10.263 11.807 -2.535 439 H GLY 60 H GLY 60 13.241 8.506 -3.458 440 HA2 GLY 60 1HA GLY 60 15.086 7.444 -2.519 441 HA3 GLY 60 2HA GLY 60 14.999 8.853 -1.472 442 H ALA 61 H ALA 61 14.235 5.457 -1.794 443 HA ALA 61 HA ALA 61 13.819 3.825 -0.264 444 HB1 ALA 61 1HB ALA 61 15.851 5.300 0.769 445 HB2 ALA 61 2HB ALA 61 14.670 5.374 2.078 446 HB3 ALA 61 3HB ALA 61 15.230 3.811 1.483 447 H MET 62 H MET 62 11.592 5.158 -0.905 448 HA MET 62 HA MET 62 9.978 4.851 1.439 449 HB2 MET 62 1HB MET 62 10.971 7.245 1.509 450 HB3 MET 62 2HB MET 62 9.846 7.585 0.201 451 HG2 MET 62 1HG MET 62 7.973 7.081 1.578 452 HG3 MET 62 2HG MET 62 9.011 6.453 2.856 453 HE1 MET 62 1HE MET 62 7.601 9.174 4.709 454 HE2 MET 62 2HE MET 62 8.026 7.474 4.507 455 HE3 MET 62 3HE MET 62 9.204 8.606 5.176 456 H LEU 63 H LEU 63 8.313 3.745 0.667 457 HA LEU 63 HA LEU 63 7.496 4.055 -2.102 458 HB2 LEU 63 1HB LEU 63 6.723 2.148 0.088 459 HB3 LEU 63 2HB LEU 63 5.894 2.185 -1.467 460 HG LEU 63 HG LEU 63 7.409 0.441 -1.698 461 HD11 LEU 63 1HD1 LEU 63 7.602 2.464 -3.375 462 HD12 LEU 63 2HD1 LEU 63 8.674 1.069 -3.491 463 HD13 LEU 63 3HD1 LEU 63 9.237 2.551 -2.719 464 HD21 LEU 63 1HD2 LEU 63 9.204 0.163 -0.416 465 HD22 LEU 63 2HD2 LEU 63 8.770 1.673 0.386 466 HD23 LEU 63 3HD2 LEU 63 9.912 1.685 -0.959 467 H GLU 64 H GLU 64 5.217 4.285 -2.678 468 HA GLU 64 HA GLU 64 3.420 5.394 -0.707 469 HB2 GLU 64 1HB GLU 64 4.957 7.284 -1.507 470 HB3 GLU 64 2HB GLU 64 4.134 7.142 -3.054 471 HG2 GLU 64 1HG GLU 64 2.047 7.749 -2.091 472 HG3 GLU 64 2HG GLU 64 2.704 7.644 -0.459 473 H LEU 65 H LEU 65 1.562 4.428 -1.151 474 HA LEU 65 HA LEU 65 0.763 4.140 -3.971 475 HB2 LEU 65 1HB LEU 65 1.418 1.975 -3.093 476 HB3 LEU 65 2HB LEU 65 0.333 2.181 -1.719 477 HG LEU 65 HG LEU 65 -1.553 2.251 -3.443 478 HD11 LEU 65 1HD1 LEU 65 0.751 1.371 -5.141 479 HD12 LEU 65 2HD1 LEU 65 -0.495 2.569 -5.488 480 HD13 LEU 65 3HD1 LEU 65 -0.896 0.852 -5.498 481 HD21 LEU 65 1HD2 LEU 65 -1.737 -0.148 -3.469 482 HD22 LEU 65 2HD2 LEU 65 -1.060 0.359 -1.921 483 HD23 LEU 65 3HD2 LEU 65 -0.009 -0.323 -3.163 484 H VAL 66 H VAL 66 -0.758 5.666 -4.208 485 HA VAL 66 HA VAL 66 -2.648 6.237 -2.083 486 HB VAL 66 HB VAL 66 -2.479 7.412 -4.861 487 HG11 VAL 66 1HG1 VAL 66 -4.301 8.603 -4.396 488 HG12 VAL 66 2HG1 VAL 66 -4.548 7.539 -3.010 489 HG13 VAL 66 3HG1 VAL 66 -3.678 9.061 -2.812 490 HG21 VAL 66 1HG2 VAL 66 -1.555 8.695 -2.304 491 HG22 VAL 66 2HG2 VAL 66 -0.478 7.737 -3.322 492 HG23 VAL 66 3HG2 VAL 66 -1.232 9.197 -3.964 493 H VAL 67 H VAL 67 -4.656 5.463 -1.940 494 HA VAL 67 HA VAL 67 -5.761 4.032 -4.270 495 HB VAL 67 HB VAL 67 -6.368 3.379 -1.389 496 HG11 VAL 67 1HG1 VAL 67 -7.214 1.276 -2.357 497 HG12 VAL 67 2HG1 VAL 67 -8.080 2.691 -2.960 498 HG13 VAL 67 3HG1 VAL 67 -6.869 1.899 -3.970 499 HG21 VAL 67 1HG2 VAL 67 -4.720 1.509 -2.952 500 HG22 VAL 67 2HG2 VAL 67 -3.921 3.009 -2.482 501 HG23 VAL 67 3HG2 VAL 67 -4.622 1.959 -1.250 502 H ARG 68 H ARG 68 -7.461 5.033 -5.103 503 HA ARG 68 HA ARG 68 -9.112 6.724 -3.355 504 HB2 ARG 68 1HB ARG 68 -8.846 6.722 -6.367 505 HB3 ARG 68 2HB ARG 68 -9.882 7.801 -5.441 506 HG2 ARG 68 1HG ARG 68 -7.832 8.650 -4.292 507 HG3 ARG 68 2HG ARG 68 -6.877 7.695 -5.427 508 HD2 ARG 68 1HD ARG 68 -7.731 8.935 -7.288 509 HD3 ARG 68 2HD ARG 68 -8.895 9.770 -6.261 510 HE ARG 68 HE ARG 68 -6.547 10.462 -5.151 511 HH11 ARG 68 2HH1 ARG 68 -7.692 10.506 -8.438 512 HH12 ARG 68 1HH1 ARG 68 -6.714 11.861 -8.898 513 HH21 ARG 68 2HH2 ARG 68 -5.255 12.246 -5.744 514 HH22 ARG 68 1HH2 ARG 68 -5.328 12.849 -7.365 515 H ASN 69 H ASN 69 -11.459 6.807 -3.913 516 HA ASN 69 HA ASN 69 -13.491 5.817 -4.176 517 HB2 ASN 69 1HB ASN 69 -12.203 3.656 -5.829 518 HB3 ASN 69 2HB ASN 69 -13.833 4.311 -5.954 519 HD21 ASN 69 1HD2 ASN 69 -14.191 5.765 -7.471 520 HD22 ASN 69 2HD2 ASN 69 -12.982 6.667 -8.313 521 H LEU 70 H LEU 70 -12.269 5.275 -1.852 522 HA LEU 70 HA LEU 70 -11.808 2.597 -1.203 523 HB2 LEU 70 1HB LEU 70 -12.502 5.052 0.310 524 HB3 LEU 70 2HB LEU 70 -12.702 3.506 1.133 525 HG LEU 70 HG LEU 70 -10.129 4.523 -0.072 526 HD11 LEU 70 1HD1 LEU 70 -11.186 4.494 2.738 527 HD12 LEU 70 2HD1 LEU 70 -10.545 5.855 1.817 528 HD13 LEU 70 3HD1 LEU 70 -9.461 4.581 2.378 529 HD21 LEU 70 1HD2 LEU 70 -9.969 2.380 1.872 530 HD22 LEU 70 2HD2 LEU 70 -9.247 2.507 0.268 531 HD23 LEU 70 3HD2 LEU 70 -10.900 1.917 0.448 532 H ARG 71 H ARG 71 -13.153 1.173 0.129 533 HA ARG 71 HA ARG 71 -15.995 1.564 0.177 534 HB2 ARG 71 1HB ARG 71 -14.828 -0.534 -1.661 535 HB3 ARG 71 2HB ARG 71 -16.525 -0.425 -1.213 536 HG2 ARG 71 1HG ARG 71 -16.527 1.886 -2.205 537 HG3 ARG 71 2HG ARG 71 -14.921 1.525 -2.842 538 HD2 ARG 71 1HD ARG 71 -17.133 -0.402 -3.354 539 HD3 ARG 71 2HD ARG 71 -17.093 1.102 -4.273 540 HE ARG 71 HE ARG 71 -15.224 0.344 -5.393 541 HH11 ARG 71 2HH1 ARG 71 -15.965 -1.774 -2.732 542 HH12 ARG 71 1HH1 ARG 71 -14.862 -3.010 -3.238 543 HH21 ARG 71 2HH2 ARG 71 -13.768 -1.275 -6.070 544 HH22 ARG 71 1HH2 ARG 71 -13.612 -2.725 -5.137 545 HA PRO 72 HA PRO 72 -15.644 -1.205 3.566 546 HB2 PRO 72 1HB PRO 72 -18.148 -2.251 3.635 547 HB3 PRO 72 2HB PRO 72 -17.787 -0.592 4.127 548 HG2 PRO 72 1HG PRO 72 -18.893 -1.602 1.535 549 HG3 PRO 72 2HG PRO 72 -19.387 -0.190 2.488 550 HD2 PRO 72 1HD PRO 72 -17.803 0.010 0.301 551 HD3 PRO 72 2HD PRO 72 -17.662 1.112 1.686 552 H GLN 73 H GLN 73 -16.089 -2.291 0.406 553 HA GLN 73 HA GLN 73 -15.916 -5.114 1.213 554 HB2 GLN 73 1HB GLN 73 -17.667 -5.094 -0.266 555 HB3 GLN 73 2HB GLN 73 -17.033 -3.722 -1.166 556 HG2 GLN 73 1HG GLN 73 -15.604 -5.048 -2.427 557 HG3 GLN 73 2HG GLN 73 -15.680 -6.386 -1.282 558 HE21 GLN 73 1HE2 GLN 73 -18.209 -6.937 -0.923 559 HE22 GLN 73 2HE2 GLN 73 -19.017 -7.317 -2.402 560 H ASP 74 H ASP 74 -14.178 -2.516 -0.181 561 HA ASP 74 HA ASP 74 -12.279 -4.077 -1.646 562 HB2 ASP 74 1HB ASP 74 -12.910 -1.544 -1.877 563 HB3 ASP 74 2HB ASP 74 -11.682 -1.321 -0.633 564 H SER 75 H SER 75 -12.625 -3.062 1.644 565 HA SER 75 HA SER 75 -10.051 -3.056 2.603 566 HB2 SER 75 1HB SER 75 -12.512 -4.208 3.939 567 HB3 SER 75 2HB SER 75 -11.006 -3.812 4.767 568 HG SER 75 HG SER 75 -11.320 -1.637 4.114 569 H GLY 76 H GLY 76 -8.532 -4.482 2.008 570 HA2 GLY 76 1HA GLY 76 -9.047 -7.317 2.604 571 HA3 GLY 76 2HA GLY 76 -8.383 -6.870 1.040 572 H ARG 77 H ARG 77 -6.471 -8.007 1.338 573 HA ARG 77 HA ARG 77 -4.613 -6.769 3.254 574 HB2 ARG 77 1HB ARG 77 -5.268 -8.936 4.153 575 HB3 ARG 77 2HB ARG 77 -4.863 -9.716 2.630 576 HG2 ARG 77 1HG ARG 77 -2.554 -9.361 2.947 577 HG3 ARG 77 2HG ARG 77 -2.835 -8.227 4.269 578 HD2 ARG 77 1HD ARG 77 -3.811 -11.043 4.485 579 HD3 ARG 77 2HD ARG 77 -2.111 -10.680 4.779 580 HE ARG 77 HE ARG 77 -3.929 -9.003 6.246 581 HH11 ARG 77 2HH1 ARG 77 -2.199 -12.024 6.222 582 HH12 ARG 77 1HH1 ARG 77 -2.207 -12.192 7.946 583 HH21 ARG 77 2HH2 ARG 77 -3.946 -9.213 8.518 584 HH22 ARG 77 1HH2 ARG 77 -3.201 -10.593 9.251 585 H TYR 78 H TYR 78 -3.001 -5.836 2.200 586 HA TYR 78 HA TYR 78 -2.058 -7.066 -0.307 587 HB2 TYR 78 1HB TYR 78 -1.331 -4.577 -0.775 588 HB3 TYR 78 2HB TYR 78 -2.973 -5.110 -1.118 589 HD1 TYR 78 1HD TYR 78 -4.560 -4.915 1.090 590 HD2 TYR 78 2HD TYR 78 -1.146 -2.523 0.239 591 HE1 TYR 78 1HE TYR 78 -5.444 -3.145 2.550 592 HE2 TYR 78 2HE TYR 78 -2.020 -0.747 1.699 593 HH TYR 78 HH TYR 78 -4.004 0.010 2.691 594 H SER 79 H SER 79 0.082 -7.413 -0.513 595 HA SER 79 HA SER 79 1.868 -6.288 1.538 596 HB2 SER 79 1HB SER 79 3.084 -8.457 1.575 597 HB3 SER 79 2HB SER 79 1.424 -8.600 2.152 598 HG SER 79 HG SER 79 1.599 -8.982 -0.530 599 H CYS 80 H CYS 80 3.975 -5.839 0.892 600 HA CYS 80 HA CYS 80 4.330 -5.664 -2.011 601 HB2 CYS 80 1HB CYS 80 4.561 -3.675 -0.304 602 HB3 CYS 80 2HB CYS 80 6.169 -4.344 -0.053 603 HG CYS 80 HG CYS 80 7.264 -3.359 -2.163 604 H SER 81 H SER 81 5.790 -6.855 -3.057 605 HA SER 81 HA SER 81 7.563 -8.564 -1.464 606 HB2 SER 81 1HB SER 81 7.619 -10.064 -3.308 607 HB3 SER 81 2HB SER 81 5.938 -9.549 -3.164 608 HG SER 81 HG SER 81 7.699 -9.181 -5.208 609 H PHE 82 H PHE 82 9.603 -7.957 -1.260 610 HA PHE 82 HA PHE 82 11.009 -6.836 -3.560 611 HB2 PHE 82 1HB PHE 82 10.071 -5.023 -1.919 612 HB3 PHE 82 2HB PHE 82 11.411 -5.526 -0.893 613 HD1 PHE 82 1HD PHE 82 10.979 -4.867 -4.544 614 HD2 PHE 82 2HD PHE 82 13.180 -4.081 -0.987 615 HE1 PHE 82 1HE PHE 82 12.492 -3.396 -5.810 616 HE2 PHE 82 2HE PHE 82 14.695 -2.608 -2.246 617 HZ PHE 82 HZ PHE 82 14.352 -2.263 -4.660 618 H GLY 83 H GLY 83 12.819 -7.948 -3.845 619 HA2 GLY 83 1HA GLY 83 14.748 -9.117 -3.402 620 HA3 GLY 83 2HA GLY 83 14.683 -8.465 -1.772 621 H ASP 84 H ASP 84 14.265 -9.824 -0.152 622 HA ASP 84 HA ASP 84 13.181 -12.478 -0.838 623 HB2 ASP 84 1HB ASP 84 15.404 -12.879 -0.194 624 HB3 ASP 84 2HB ASP 84 15.345 -11.672 1.088 625 H GLN 85 H GLN 85 13.170 -9.810 1.431 626 HA GLN 85 HA GLN 85 11.224 -11.084 3.159 627 HB2 GLN 85 1HB GLN 85 11.314 -8.963 4.427 628 HB3 GLN 85 2HB GLN 85 12.905 -9.674 4.188 629 HG2 GLN 85 1HG GLN 85 11.909 -7.610 2.280 630 HG3 GLN 85 2HG GLN 85 12.541 -7.123 3.852 631 HE21 GLN 85 1HE2 GLN 85 14.698 -8.145 4.401 632 HE22 GLN 85 2HE2 GLN 85 15.871 -8.191 3.134 633 H THR 86 H THR 86 9.128 -10.204 3.586 634 HA THR 86 HA THR 86 8.039 -8.361 1.601 635 HB THR 86 HB THR 86 6.880 -11.114 2.079 636 HG1 THR 86 1HG THR 86 7.803 -11.624 0.235 637 HG21 THR 86 1HG2 THR 86 4.937 -10.428 1.205 638 HG22 THR 86 2HG2 THR 86 5.744 -9.532 -0.082 639 HG23 THR 86 3HG2 THR 86 5.506 -8.785 1.497 640 H THR 87 H THR 87 6.518 -7.039 2.419 641 HA THR 87 HA THR 87 5.624 -7.563 5.175 642 HB THR 87 HB THR 87 6.957 -5.509 4.901 643 HG1 THR 87 1HG THR 87 5.165 -4.064 5.709 644 HG21 THR 87 1HG2 THR 87 4.881 -3.985 3.538 645 HG22 THR 87 2HG2 THR 87 5.603 -5.226 2.514 646 HG23 THR 87 3HG2 THR 87 6.624 -4.006 3.274 647 H SER 88 H SER 88 3.493 -7.604 5.672 648 HA SER 88 HA SER 88 1.591 -7.103 3.476 649 HB2 SER 88 1HB SER 88 1.848 -9.521 4.029 650 HB3 SER 88 2HB SER 88 1.306 -9.169 5.670 651 HG SER 88 HG SER 88 -0.639 -8.310 4.654 652 H ALA 89 H ALA 89 -0.199 -5.912 3.913 653 HA ALA 89 HA ALA 89 -0.660 -5.092 6.700 654 HB1 ALA 89 1HB ALA 89 0.122 -3.416 4.454 655 HB2 ALA 89 2HB ALA 89 -1.351 -2.859 5.248 656 HB3 ALA 89 3HB ALA 89 0.129 -3.070 6.183 657 H THR 90 H THR 90 -2.829 -3.899 6.874 658 HA THR 90 HA THR 90 -4.809 -5.086 5.049 659 HB THR 90 HB THR 90 -5.077 -4.957 8.060 660 HG1 THR 90 1HG THR 90 -4.460 -6.996 8.055 661 HG21 THR 90 1HG2 THR 90 -7.154 -6.232 7.686 662 HG22 THR 90 2HG2 THR 90 -6.931 -6.061 5.944 663 HG23 THR 90 3HG2 THR 90 -7.215 -4.635 6.942 664 H LEU 91 H LEU 91 -6.700 -3.894 4.725 665 HA LEU 91 HA LEU 91 -6.510 -1.083 5.565 666 HB2 LEU 91 1HB LEU 91 -6.443 -1.434 3.162 667 HB3 LEU 91 2HB LEU 91 -7.955 -2.336 3.235 668 HG LEU 91 HG LEU 91 -9.173 -0.334 3.809 669 HD11 LEU 91 1HD1 LEU 91 -7.972 1.093 5.080 670 HD12 LEU 91 2HD1 LEU 91 -7.628 1.837 3.519 671 HD13 LEU 91 3HD1 LEU 91 -6.458 0.737 4.247 672 HD21 LEU 91 1HD2 LEU 91 -7.835 0.994 1.688 673 HD22 LEU 91 2HD2 LEU 91 -9.331 0.060 1.633 674 HD23 LEU 91 3HD2 LEU 91 -7.780 -0.741 1.371 675 H THR 92 H THR 92 -8.159 -0.096 6.621 676 HA THR 92 HA THR 92 -10.523 -1.744 7.244 677 HB THR 92 HB THR 92 -9.142 0.246 9.056 678 HG1 THR 92 1HG THR 92 -8.378 -2.109 8.634 679 HG21 THR 92 1HG2 THR 92 -11.237 0.442 9.889 680 HG22 THR 92 2HG2 THR 92 -10.863 -1.109 10.640 681 HG23 THR 92 3HG2 THR 92 -11.787 -1.056 9.139 682 H VAL 93 H VAL 93 -12.228 -0.939 6.214 683 HA VAL 93 HA VAL 93 -12.542 1.991 6.104 684 HB VAL 93 HB VAL 93 -13.597 -0.018 4.109 685 HG11 VAL 93 1HG1 VAL 93 -14.141 2.806 4.612 686 HG12 VAL 93 2HG1 VAL 93 -13.683 2.460 2.943 687 HG13 VAL 93 3HG1 VAL 93 -15.054 1.625 3.674 688 HG21 VAL 93 1HG2 VAL 93 -11.572 2.038 3.398 689 HG22 VAL 93 2HG2 VAL 93 -11.029 0.607 4.274 690 HG23 VAL 93 3HG2 VAL 93 -11.841 0.432 2.719 691 H THR 94 H THR 94 -14.236 2.777 7.159 692 HA THR 94 HA THR 94 -16.300 0.927 8.097 693 HB THR 94 HB THR 94 -15.849 3.798 8.927 694 HG1 THR 94 1HG THR 94 -15.034 2.558 10.881 695 HG21 THR 94 1HG2 THR 94 -18.125 2.627 9.274 696 HG22 THR 94 2HG2 THR 94 -17.375 3.427 10.655 697 HG23 THR 94 3HG2 THR 94 -17.278 1.674 10.492 698 H ALA 95 H ALA 95 -18.334 0.961 7.364 699 HA ALA 95 HA ALA 95 -19.031 2.465 5.073 700 HB1 ALA 95 1HB ALA 95 -21.279 1.380 6.593 701 HB2 ALA 95 2HB ALA 95 -20.768 1.062 4.935 702 HB3 ALA 95 3HB ALA 95 -19.999 0.209 6.273 703 H LEU 96 H LEU 96 -19.147 4.632 5.238 704 HA LEU 96 HA LEU 96 -19.906 6.108 7.474 705 HB2 LEU 96 1HB LEU 96 -19.691 7.951 6.160 706 HB3 LEU 96 2HB LEU 96 -18.825 6.779 5.169 707 HG LEU 96 HG LEU 96 -20.982 6.478 3.875 708 HD11 LEU 96 1HD1 LEU 96 -22.146 8.965 4.262 709 HD12 LEU 96 2HD1 LEU 96 -21.863 8.354 5.891 710 HD13 LEU 96 3HD1 LEU 96 -22.806 7.403 4.745 711 HD21 LEU 96 1HD2 LEU 96 -20.079 7.858 2.381 712 HD22 LEU 96 2HD2 LEU 96 -18.915 8.308 3.627 713 HD23 LEU 96 3HD2 LEU 96 -20.376 9.269 3.396 714 HA PRO 97 HA PRO 97 -24.281 5.730 7.702 715 HB2 PRO 97 1HB PRO 97 -24.887 8.091 8.896 716 HB3 PRO 97 2HB PRO 97 -24.120 6.750 9.754 717 HG2 PRO 97 1HG PRO 97 -22.875 9.207 8.581 718 HG3 PRO 97 2HG PRO 97 -22.555 8.426 10.141 719 HD2 PRO 97 1HD PRO 97 -20.946 8.095 7.988 720 HD3 PRO 97 2HD PRO 97 -21.193 6.822 9.201 721 H SER 98 H SER 98 -25.379 5.804 5.829 722 HA SER 98 HA SER 98 -26.117 8.425 4.775 723 HB2 SER 98 1HB SER 98 -24.415 8.079 3.243 724 HB3 SER 98 2HB SER 98 -24.592 6.325 3.283 725 HG SER 98 HG SER 98 -25.663 8.062 1.568 726 H GLY 99 H GLY 99 -28.189 8.522 4.098 727 HA2 GLY 99 1HA GLY 99 -29.745 6.638 2.884 728 HA3 GLY 99 2HA GLY 99 -29.879 6.249 4.592 729 HA PRO 100 HA PRO 100 -33.235 9.257 3.666 730 HB2 PRO 100 1HB PRO 100 -35.058 8.043 5.271 731 HB3 PRO 100 2HB PRO 100 -34.771 7.549 3.598 732 HG2 PRO 100 1HG PRO 100 -33.736 6.342 6.134 733 HG3 PRO 100 2HG PRO 100 -34.373 5.535 4.690 734 HD2 PRO 100 1HD PRO 100 -31.720 5.762 5.180 735 HD3 PRO 100 2HD PRO 100 -32.391 5.758 3.536 736 H SER 101 H SER 101 -33.611 11.053 4.831 737 HA SER 101 HA SER 101 -32.367 11.334 7.408 738 HB2 SER 101 1HB SER 101 -32.226 13.197 5.886 739 HB3 SER 101 2HB SER 101 -33.980 13.253 5.714 740 HG SER 101 HG SER 101 -34.165 14.045 7.744 741 H SER 102 H SER 102 -35.702 11.651 6.198 742 HA SER 102 HA SER 102 -36.649 10.961 8.898 743 HB2 SER 102 1HB SER 102 -36.937 13.391 8.488 744 HB3 SER 102 2HB SER 102 -37.914 13.017 7.068 745 HG SER 102 HG SER 102 -39.544 12.498 8.316 746 H GLY 103 H GLY 103 -36.864 8.798 8.122 747 HA2 GLY 103 1HA GLY 103 -39.258 7.806 7.567 748 HA3 GLY 103 2HA GLY 103 -38.770 8.331 5.962 Start of MODEL 17 1 H1 GLY 1 H GLY 1 38.357 -9.202 12.079 2 HA2 GLY 1 1HA GLY 1 40.629 -8.719 10.492 3 HA3 GLY 1 2HA GLY 1 39.234 -9.674 10.012 4 H SER 2 H SER 2 38.293 -8.984 8.223 5 HA SER 2 HA SER 2 38.641 -6.190 7.422 6 HB2 SER 2 1HB SER 2 37.910 -8.696 5.920 7 HB3 SER 2 2HB SER 2 37.669 -7.099 5.214 8 HG SER 2 HG SER 2 40.053 -6.926 6.027 9 H SER 3 H SER 3 36.751 -5.192 6.244 10 HA SER 3 HA SER 3 34.664 -4.633 7.851 11 HB2 SER 3 1HB SER 3 33.468 -3.808 5.953 12 HB3 SER 3 2HB SER 3 35.182 -3.599 5.596 13 HG SER 3 HG SER 3 33.430 -5.600 4.621 14 H GLY 4 H GLY 4 32.761 -5.505 8.486 15 HA2 GLY 4 1HA GLY 4 32.378 -8.306 8.205 16 HA3 GLY 4 2HA GLY 4 31.258 -7.180 8.958 17 H SER 5 H SER 5 29.558 -8.440 7.993 18 HA SER 5 HA SER 5 29.229 -7.925 5.110 19 HB2 SER 5 1HB SER 5 27.661 -9.879 5.137 20 HB3 SER 5 2HB SER 5 29.327 -10.302 5.530 21 HG SER 5 HG SER 5 27.198 -9.909 7.367 22 H SER 6 H SER 6 27.905 -6.274 4.770 23 HA SER 6 HA SER 6 26.071 -5.284 6.683 24 HB2 SER 6 1HB SER 6 26.556 -4.719 3.769 25 HB3 SER 6 2HB SER 6 25.197 -3.980 4.615 26 HG SER 6 HG SER 6 26.591 -2.926 5.946 27 H GLY 7 H GLY 7 25.513 -6.926 3.562 28 HA2 GLY 7 1HA GLY 7 23.913 -8.639 3.227 29 HA3 GLY 7 2HA GLY 7 23.099 -8.132 4.700 30 HA PRO 8 HA PRO 8 20.898 -6.505 0.865 31 HB2 PRO 8 1HB PRO 8 18.571 -7.851 1.245 32 HB3 PRO 8 2HB PRO 8 19.922 -8.511 0.315 33 HG2 PRO 8 1HG PRO 8 19.131 -9.053 3.151 34 HG3 PRO 8 2HG PRO 8 19.661 -10.192 1.900 35 HD2 PRO 8 1HD PRO 8 21.316 -9.288 3.844 36 HD3 PRO 8 2HD PRO 8 21.890 -9.694 2.213 37 H VAL 9 H VAL 9 18.574 -5.538 0.922 38 HA VAL 9 HA VAL 9 18.464 -3.791 3.211 39 HB VAL 9 HB VAL 9 16.628 -3.964 0.816 40 HG11 VAL 9 1HG1 VAL 9 15.618 -1.988 1.497 41 HG12 VAL 9 2HG1 VAL 9 15.802 -2.875 3.011 42 HG13 VAL 9 3HG1 VAL 9 16.930 -1.581 2.603 43 HG21 VAL 9 1HG2 VAL 9 18.873 -3.409 0.135 44 HG22 VAL 9 2HG2 VAL 9 17.871 -1.961 0.050 45 HG23 VAL 9 3HG2 VAL 9 18.990 -2.180 1.394 46 H ARG 10 H ARG 10 16.919 -3.704 4.787 47 HA ARG 10 HA ARG 10 14.977 -5.920 4.838 48 HB2 ARG 10 1HB ARG 10 16.574 -4.665 7.064 49 HB3 ARG 10 2HB ARG 10 15.140 -5.634 7.375 50 HG2 ARG 10 1HG ARG 10 16.762 -7.221 7.589 51 HG3 ARG 10 2HG ARG 10 16.393 -7.385 5.871 52 HD2 ARG 10 1HD ARG 10 18.277 -5.892 5.346 53 HD3 ARG 10 2HD ARG 10 18.656 -5.788 7.065 54 HE ARG 10 HE ARG 10 18.593 -8.469 5.989 55 HH11 ARG 10 2HH1 ARG 10 20.531 -5.661 6.682 56 HH12 ARG 10 1HH1 ARG 10 22.025 -6.538 6.710 57 HH21 ARG 10 2HH2 ARG 10 20.553 -9.635 6.024 58 HH22 ARG 10 1HH2 ARG 10 22.036 -8.798 6.335 59 H PHE 11 H PHE 11 12.972 -5.506 5.978 60 HA PHE 11 HA PHE 11 11.858 -2.978 5.276 61 HB2 PHE 11 1HB PHE 11 10.858 -5.490 6.521 62 HB3 PHE 11 2HB PHE 11 9.913 -4.026 6.776 63 HD1 PHE 11 2HD PHE 11 9.728 -2.596 4.447 64 HD2 PHE 11 1HD PHE 11 10.124 -6.818 4.817 65 HE1 PHE 11 2HE PHE 11 8.688 -2.883 2.237 66 HE2 PHE 11 1HE PHE 11 9.084 -7.112 2.606 67 HZ PHE 11 HZ PHE 11 8.363 -5.143 1.314 68 H GLN 12 H GLN 12 12.848 -1.344 6.414 69 HA GLN 12 HA GLN 12 13.216 -1.432 9.245 70 HB2 GLN 12 1HB GLN 12 14.539 -0.059 7.526 71 HB3 GLN 12 2HB GLN 12 13.192 1.071 7.574 72 HG2 GLN 12 1HG GLN 12 14.635 1.990 9.100 73 HG3 GLN 12 2HG GLN 12 13.581 1.029 10.136 74 HE21 GLN 12 1HE2 GLN 12 16.711 1.796 9.487 75 HE22 GLN 12 2HE2 GLN 12 17.496 0.429 10.195 76 H GLU 13 H GLU 13 10.989 0.360 7.121 77 HA GLU 13 HA GLU 13 9.161 0.608 9.417 78 HB2 GLU 13 1HB GLU 13 10.430 2.743 8.516 79 HB3 GLU 13 2HB GLU 13 9.181 2.695 7.280 80 HG2 GLU 13 1HG GLU 13 7.456 2.864 8.950 81 HG3 GLU 13 2HG GLU 13 8.651 2.766 10.241 82 H ALA 14 H ALA 14 8.619 -1.520 8.161 83 HA ALA 14 HA ALA 14 7.319 -1.491 5.701 84 HB1 ALA 14 1HB ALA 14 7.384 -3.661 6.159 85 HB2 ALA 14 2HB ALA 14 7.660 -3.339 7.872 86 HB3 ALA 14 3HB ALA 14 6.014 -3.427 7.246 87 H LEU 15 H LEU 15 4.855 -2.243 5.645 88 HA LEU 15 HA LEU 15 3.331 0.046 6.234 89 HB2 LEU 15 1HB LEU 15 2.255 -2.714 5.703 90 HB3 LEU 15 2HB LEU 15 1.444 -1.174 5.423 91 HG LEU 15 HG LEU 15 3.959 -1.855 3.944 92 HD11 LEU 15 1HD1 LEU 15 1.399 -2.437 2.612 93 HD12 LEU 15 2HD1 LEU 15 1.897 -3.585 3.854 94 HD13 LEU 15 3HD1 LEU 15 2.959 -3.249 2.486 95 HD21 LEU 15 1HD2 LEU 15 1.846 0.171 3.843 96 HD22 LEU 15 2HD2 LEU 15 2.273 -0.515 2.275 97 HD23 LEU 15 3HD2 LEU 15 3.515 0.238 3.277 98 H LYS 16 H LYS 16 1.349 0.099 7.562 99 HA LYS 16 HA LYS 16 1.329 -1.683 9.868 100 HB2 LYS 16 1HB LYS 16 1.240 0.250 11.440 101 HB3 LYS 16 2HB LYS 16 2.795 0.061 10.640 102 HG2 LYS 16 1HG LYS 16 2.533 2.301 10.407 103 HG3 LYS 16 2HG LYS 16 1.714 1.772 8.935 104 HD2 LYS 16 1HD LYS 16 0.142 3.210 9.775 105 HD3 LYS 16 2HD LYS 16 -0.382 1.705 10.535 106 HE2 LYS 16 1HE LYS 16 -0.385 3.202 12.306 107 HE3 LYS 16 2HE LYS 16 1.184 2.415 12.467 108 HZ1 LYS 16 1HZ LYS 16 0.554 5.149 11.613 109 HZ2 LYS 16 2HZ LYS 16 1.936 4.407 10.980 110 HZ3 LYS 16 3HZ LYS 16 1.771 4.599 12.652 111 H ASP 17 H ASP 17 -0.655 -1.781 10.937 112 HA ASP 17 HA ASP 17 -2.965 -1.725 9.608 113 HB2 ASP 17 1HB ASP 17 -4.149 -1.297 11.772 114 HB3 ASP 17 2HB ASP 17 -2.898 -2.533 11.874 115 H LEU 18 H LEU 18 -4.139 -0.292 8.532 116 HA LEU 18 HA LEU 18 -3.764 2.563 9.130 117 HB2 LEU 18 1HB LEU 18 -4.533 1.100 6.624 118 HB3 LEU 18 2HB LEU 18 -4.799 2.832 6.809 119 HG LEU 18 HG LEU 18 -2.086 1.550 7.067 120 HD11 LEU 18 1HD1 LEU 18 -1.645 2.190 4.793 121 HD12 LEU 18 2HD1 LEU 18 -3.261 2.877 4.630 122 HD13 LEU 18 3HD1 LEU 18 -3.059 1.136 4.828 123 HD21 LEU 18 1HD2 LEU 18 -3.166 4.309 7.109 124 HD22 LEU 18 2HD2 LEU 18 -1.625 4.053 6.290 125 HD23 LEU 18 3HD2 LEU 18 -1.807 3.607 7.988 126 H GLU 19 H GLU 19 -5.629 3.969 8.964 127 HA GLU 19 HA GLU 19 -8.216 2.632 9.311 128 HB2 GLU 19 1HB GLU 19 -7.226 3.133 11.550 129 HB3 GLU 19 2HB GLU 19 -7.221 4.837 11.121 130 HG2 GLU 19 1HG GLU 19 -9.756 3.263 11.009 131 HG3 GLU 19 2HG GLU 19 -9.154 3.885 12.545 132 H VAL 20 H VAL 20 -9.755 3.526 8.108 133 HA VAL 20 HA VAL 20 -9.828 6.370 7.606 134 HB VAL 20 HB VAL 20 -9.667 6.330 5.244 135 HG11 VAL 20 1HG1 VAL 20 -7.518 6.329 6.414 136 HG12 VAL 20 2HG1 VAL 20 -7.472 4.567 6.331 137 HG13 VAL 20 3HG1 VAL 20 -7.400 5.523 4.850 138 HG21 VAL 20 1HG2 VAL 20 -10.880 4.250 4.846 139 HG22 VAL 20 2HG2 VAL 20 -9.367 4.281 3.941 140 HG23 VAL 20 3HG2 VAL 20 -9.492 3.322 5.416 141 H LEU 21 H LEU 21 -11.751 6.943 6.218 142 HA LEU 21 HA LEU 21 -13.983 5.204 6.970 143 HB2 LEU 21 1HB LEU 21 -13.751 7.779 7.439 144 HB3 LEU 21 2HB LEU 21 -14.349 7.916 5.787 145 HG LEU 21 HG LEU 21 -15.885 6.220 7.685 146 HD11 LEU 21 1HD1 LEU 21 -15.653 9.202 7.839 147 HD12 LEU 21 2HD1 LEU 21 -15.649 8.016 9.143 148 HD13 LEU 21 3HD1 LEU 21 -17.147 8.378 8.286 149 HD21 LEU 21 1HD2 LEU 21 -16.845 8.229 5.665 150 HD22 LEU 21 2HD2 LEU 21 -17.720 6.863 6.357 151 HD23 LEU 21 3HD2 LEU 21 -16.397 6.581 5.224 152 H GLU 22 H GLU 22 -15.590 4.598 5.487 153 HA GLU 22 HA GLU 22 -14.747 3.740 2.997 154 HB2 GLU 22 1HB GLU 22 -16.957 3.082 2.586 155 HB3 GLU 22 2HB GLU 22 -16.823 3.050 4.339 156 HG2 GLU 22 1HG GLU 22 -18.042 5.055 4.568 157 HG3 GLU 22 2HG GLU 22 -17.921 5.411 2.846 158 H GLY 23 H GLY 23 -15.487 4.390 0.844 159 HA2 GLY 23 1HA GLY 23 -15.534 5.947 -0.844 160 HA3 GLY 23 2HA GLY 23 -16.672 6.805 0.184 161 H GLY 24 H GLY 24 -13.158 6.161 0.216 162 HA2 GLY 24 1HA GLY 24 -12.670 9.042 0.195 163 HA3 GLY 24 2HA GLY 24 -12.116 8.153 1.606 164 H ALA 25 H ALA 25 -9.944 8.554 1.252 165 HA ALA 25 HA ALA 25 -8.754 6.954 -0.891 166 HB1 ALA 25 1HB ALA 25 -8.119 8.734 -2.054 167 HB2 ALA 25 2HB ALA 25 -8.774 9.820 -0.828 168 HB3 ALA 25 3HB ALA 25 -7.120 9.226 -0.686 169 H ALA 26 H ALA 26 -7.464 5.544 0.079 170 HA ALA 26 HA ALA 26 -5.899 6.441 2.411 171 HB1 ALA 26 1HB ALA 26 -6.885 3.634 1.940 172 HB2 ALA 26 2HB ALA 26 -6.088 4.265 3.381 173 HB3 ALA 26 3HB ALA 26 -7.710 4.814 2.959 174 H THR 27 H THR 27 -3.786 6.467 2.061 175 HA THR 27 HA THR 27 -2.684 4.745 -0.058 176 HB THR 27 HB THR 27 -2.453 7.253 -0.319 177 HG1 THR 27 1HG THR 27 -0.171 5.557 -0.217 178 HG21 THR 27 1HG2 THR 27 -1.737 7.266 2.284 179 HG22 THR 27 2HG2 THR 27 -1.286 8.531 1.141 180 HG23 THR 27 3HG2 THR 27 -0.147 7.240 1.523 181 H LEU 28 H LEU 28 -0.722 3.651 0.296 182 HA LEU 28 HA LEU 28 -0.177 3.114 3.128 183 HB2 LEU 28 1HB LEU 28 0.410 1.548 0.626 184 HB3 LEU 28 2HB LEU 28 1.022 1.100 2.217 185 HG LEU 28 HG LEU 28 -1.527 1.141 2.857 186 HD11 LEU 28 1HD1 LEU 28 -2.621 1.869 0.971 187 HD12 LEU 28 2HD1 LEU 28 -2.726 0.119 0.778 188 HD13 LEU 28 3HD1 LEU 28 -1.518 1.034 -0.124 189 HD21 LEU 28 1HD2 LEU 28 -0.039 -1.010 1.380 190 HD22 LEU 28 2HD2 LEU 28 -1.644 -1.277 2.063 191 HD23 LEU 28 3HD2 LEU 28 -0.298 -0.842 3.117 192 H ARG 29 H ARG 29 1.763 3.509 4.039 193 HA ARG 29 HA ARG 29 3.905 4.519 2.284 194 HB2 ARG 29 1HB ARG 29 2.805 5.586 4.843 195 HB3 ARG 29 2HB ARG 29 4.526 5.775 4.537 196 HG2 ARG 29 1HG ARG 29 3.858 6.797 2.307 197 HG3 ARG 29 2HG ARG 29 2.222 6.876 2.965 198 HD2 ARG 29 1HD ARG 29 3.098 8.178 4.876 199 HD3 ARG 29 2HD ARG 29 4.692 8.161 4.123 200 HE ARG 29 HE ARG 29 2.844 9.190 2.287 201 HH11 ARG 29 2HH1 ARG 29 4.344 10.031 5.314 202 HH12 ARG 29 1HH1 ARG 29 4.245 11.738 5.038 203 HH21 ARG 29 2HH2 ARG 29 2.709 11.436 1.912 204 HH22 ARG 29 1HH2 ARG 29 3.314 12.537 3.103 205 H CYS 30 H CYS 30 5.881 3.646 2.520 206 HA CYS 30 HA CYS 30 6.654 2.288 4.948 207 HB2 CYS 30 1HB CYS 30 7.160 0.143 3.767 208 HB3 CYS 30 2HB CYS 30 5.441 0.487 3.910 209 HG CYS 30 HG CYS 30 5.548 1.649 1.182 210 H VAL 31 H VAL 31 8.780 2.500 5.267 211 HA VAL 31 HA VAL 31 10.417 3.423 3.003 212 HB VAL 31 HB VAL 31 10.784 3.825 5.972 213 HG11 VAL 31 1HG1 VAL 31 12.924 3.432 4.723 214 HG12 VAL 31 2HG1 VAL 31 12.556 4.873 3.773 215 HG13 VAL 31 3HG1 VAL 31 12.802 5.003 5.515 216 HG21 VAL 31 1HG2 VAL 31 9.180 5.209 4.307 217 HG22 VAL 31 2HG2 VAL 31 9.986 5.921 5.705 218 HG23 VAL 31 3HG2 VAL 31 10.689 6.098 4.097 219 H LEU 32 H LEU 32 12.423 2.516 2.593 220 HA LEU 32 HA LEU 32 12.820 -0.148 3.746 221 HB2 LEU 32 1HB LEU 32 14.172 1.045 1.336 222 HB3 LEU 32 2HB LEU 32 14.150 -0.649 1.823 223 HG LEU 32 HG LEU 32 11.559 0.678 1.194 224 HD11 LEU 32 1HD1 LEU 32 12.066 1.146 -0.909 225 HD12 LEU 32 2HD1 LEU 32 12.541 -0.532 -1.170 226 HD13 LEU 32 3HD1 LEU 32 13.735 0.648 -0.631 227 HD21 LEU 32 1HD2 LEU 32 12.620 -2.080 0.601 228 HD22 LEU 32 2HD2 LEU 32 10.948 -1.529 0.484 229 HD23 LEU 32 3HD2 LEU 32 11.730 -1.648 2.061 230 H SER 33 H SER 33 14.816 -0.817 4.558 231 HA SER 33 HA SER 33 16.192 0.762 6.252 232 HB2 SER 33 1HB SER 33 16.538 -1.667 6.093 233 HB3 SER 33 2HB SER 33 17.421 -1.447 4.583 234 HG SER 33 HG SER 33 18.194 -0.228 7.020 235 H SER 34 H SER 34 16.962 0.324 2.820 236 HA SER 34 HA SER 34 18.304 2.905 2.816 237 HB2 SER 34 1HB SER 34 20.112 1.306 3.311 238 HB3 SER 34 2HB SER 34 19.691 0.385 1.867 239 HG SER 34 HG SER 34 20.830 2.955 2.065 240 H VAL 35 H VAL 35 18.824 3.628 0.589 241 HA VAL 35 HA VAL 35 16.689 3.653 -1.092 242 HB VAL 35 HB VAL 35 19.583 3.781 -1.950 243 HG11 VAL 35 1HG1 VAL 35 18.504 3.600 -3.964 244 HG12 VAL 35 2HG1 VAL 35 17.015 4.329 -3.357 245 HG13 VAL 35 3HG1 VAL 35 18.414 5.343 -3.713 246 HG21 VAL 35 1HG2 VAL 35 19.116 5.400 -0.223 247 HG22 VAL 35 2HG2 VAL 35 19.258 6.229 -1.773 248 HG23 VAL 35 3HG2 VAL 35 17.666 5.938 -1.071 249 H ALA 36 H ALA 36 15.621 2.069 -2.061 250 HA ALA 36 HA ALA 36 17.103 0.046 -3.555 251 HB1 ALA 36 1HB ALA 36 16.819 -1.148 -1.551 252 HB2 ALA 36 2HB ALA 36 15.169 -0.562 -1.338 253 HB3 ALA 36 3HB ALA 36 15.535 -1.723 -2.615 254 H ALA 37 H ALA 37 16.238 -0.234 -5.504 255 HA ALA 37 HA ALA 37 13.464 -0.381 -6.023 256 HB1 ALA 37 1HB ALA 37 14.001 1.858 -7.611 257 HB2 ALA 37 2HB ALA 37 12.910 1.759 -6.229 258 HB3 ALA 37 3HB ALA 37 14.583 2.266 -5.997 259 HA PRO 38 HA PRO 38 12.384 0.693 -8.123 260 HB2 PRO 38 1HB PRO 38 10.940 -0.927 -9.754 261 HB3 PRO 38 2HB PRO 38 11.930 0.408 -10.357 262 HG2 PRO 38 1HG PRO 38 12.558 -2.517 -10.245 263 HG3 PRO 38 2HG PRO 38 12.857 -1.358 -11.554 264 HD2 PRO 38 1HD PRO 38 14.795 -2.145 -9.834 265 HD3 PRO 38 2HD PRO 38 14.754 -0.520 -10.548 266 H VAL 39 H VAL 39 10.108 -0.284 -7.671 267 HA VAL 39 HA VAL 39 10.401 -2.657 -5.947 268 HB VAL 39 HB VAL 39 8.704 -0.230 -5.341 269 HG11 VAL 39 1HG1 VAL 39 7.555 -1.694 -4.103 270 HG12 VAL 39 2HG1 VAL 39 8.788 -2.944 -4.278 271 HG13 VAL 39 3HG1 VAL 39 8.960 -1.701 -3.038 272 HG21 VAL 39 1HG2 VAL 39 10.702 0.616 -4.722 273 HG22 VAL 39 2HG2 VAL 39 10.456 -0.393 -3.297 274 HG23 VAL 39 3HG2 VAL 39 11.465 -0.971 -4.623 275 H LYS 40 H LYS 40 8.636 -4.049 -5.817 276 HA LYS 40 HA LYS 40 6.663 -3.708 -7.969 277 HB2 LYS 40 1HB LYS 40 8.254 -5.750 -7.821 278 HB3 LYS 40 2HB LYS 40 7.192 -6.292 -6.528 279 HG2 LYS 40 1HG LYS 40 5.286 -6.039 -8.176 280 HG3 LYS 40 2HG LYS 40 6.523 -5.859 -9.423 281 HD2 LYS 40 1HD LYS 40 7.466 -8.066 -8.356 282 HD3 LYS 40 2HD LYS 40 5.807 -8.246 -7.780 283 HE2 LYS 40 1HE LYS 40 5.077 -7.872 -10.173 284 HE3 LYS 40 2HE LYS 40 6.773 -8.038 -10.624 285 HZ1 LYS 40 1HZ LYS 40 5.219 -10.098 -9.155 286 HZ2 LYS 40 2HZ LYS 40 6.797 -10.252 -9.743 287 HZ3 LYS 40 3HZ LYS 40 5.502 -10.121 -10.823 288 H TRP 41 H TRP 41 4.611 -3.325 -7.465 289 HA TRP 41 HA TRP 41 3.732 -3.863 -4.705 290 HB2 TRP 41 1HB TRP 41 3.108 -1.632 -6.610 291 HB3 TRP 41 2HB TRP 41 1.949 -2.063 -5.356 292 HD1 TRP 41 HD TRP 41 5.505 -0.664 -5.779 293 HE1 TRP 41 1HE TRP 41 6.160 0.556 -3.609 294 HE3 TRP 41 3HE TRP 41 1.476 -1.919 -2.893 295 HZ2 TRP 41 2HZ TRP 41 5.109 0.935 -1.017 296 HZ3 TRP 41 3HZ TRP 41 1.377 -1.087 -0.580 297 HH2 TRP 41 HH TRP 41 3.157 0.310 0.337 298 H CYS 42 H CYS 42 2.706 -5.780 -4.796 299 HA CYS 42 HA CYS 42 0.592 -6.090 -6.826 300 HB2 CYS 42 1HB CYS 42 2.355 -7.714 -7.203 301 HB3 CYS 42 2HB CYS 42 2.299 -8.216 -5.517 302 HG CYS 42 HG CYS 42 -0.072 -9.532 -5.645 303 H TYR 43 H TYR 43 -1.425 -6.304 -6.104 304 HA TYR 43 HA TYR 43 -1.814 -6.780 -3.224 305 HB2 TYR 43 1HB TYR 43 -2.646 -4.625 -3.736 306 HB3 TYR 43 2HB TYR 43 -3.401 -5.181 -5.226 307 HD1 TYR 43 2HD TYR 43 -3.551 -6.231 -1.634 308 HD2 TYR 43 1HD TYR 43 -5.697 -5.100 -5.130 309 HE1 TYR 43 2HE TYR 43 -5.671 -6.556 -0.431 310 HE2 TYR 43 1HE TYR 43 -7.823 -5.421 -3.936 311 HH TYR 43 HH TYR 43 -8.693 -6.626 -2.017 312 H GLY 44 H GLY 44 -2.173 -8.918 -3.011 313 HA2 GLY 44 1HA GLY 44 -3.526 -10.803 -2.988 314 HA3 GLY 44 2HA GLY 44 -4.622 -9.990 -4.095 315 H ASN 45 H ASN 45 -4.712 -10.743 -6.103 316 HA ASN 45 HA ASN 45 -2.587 -12.566 -6.987 317 HB2 ASN 45 1HB ASN 45 -4.938 -13.423 -6.890 318 HB3 ASN 45 2HB ASN 45 -5.369 -12.247 -8.129 319 HD21 ASN 45 1HD2 ASN 45 -4.972 -12.698 -10.213 320 HD22 ASN 45 2HD2 ASN 45 -4.204 -14.140 -10.774 321 H ASN 46 H ASN 46 -4.814 -10.193 -8.455 322 HA ASN 46 HA ASN 46 -3.122 -9.799 -10.724 323 HB2 ASN 46 1HB ASN 46 -5.655 -8.562 -9.717 324 HB3 ASN 46 2HB ASN 46 -4.750 -7.746 -10.988 325 HD21 ASN 46 1HD2 ASN 46 -7.297 -9.593 -10.574 326 HD22 ASN 46 2HD2 ASN 46 -7.263 -10.552 -12.011 327 H VAL 47 H VAL 47 -1.274 -8.718 -10.668 328 HA VAL 47 HA VAL 47 -0.421 -7.071 -8.569 329 HB VAL 47 HB VAL 47 1.059 -8.210 -10.255 330 HG11 VAL 47 1HG1 VAL 47 1.399 -7.360 -12.386 331 HG12 VAL 47 2HG1 VAL 47 -0.349 -7.218 -12.189 332 HG13 VAL 47 3HG1 VAL 47 0.681 -5.799 -11.988 333 HG21 VAL 47 1HG2 VAL 47 1.881 -5.365 -10.252 334 HG22 VAL 47 2HG2 VAL 47 1.560 -6.111 -8.686 335 HG23 VAL 47 3HG2 VAL 47 2.774 -6.805 -9.761 336 H LEU 48 H LEU 48 -0.295 -4.861 -8.313 337 HA LEU 48 HA LEU 48 -2.350 -3.328 -9.598 338 HB2 LEU 48 1HB LEU 48 -0.196 -2.502 -7.658 339 HB3 LEU 48 2HB LEU 48 -1.546 -1.490 -8.167 340 HG LEU 48 HG LEU 48 -1.899 -4.108 -6.720 341 HD11 LEU 48 1HD1 LEU 48 -0.844 -2.947 -5.062 342 HD12 LEU 48 2HD1 LEU 48 -2.496 -2.377 -4.827 343 HD13 LEU 48 3HD1 LEU 48 -1.333 -1.375 -5.695 344 HD21 LEU 48 1HD2 LEU 48 -3.687 -1.873 -7.577 345 HD22 LEU 48 2HD2 LEU 48 -4.087 -2.817 -6.142 346 HD23 LEU 48 3HD2 LEU 48 -3.925 -3.616 -7.707 347 H ARG 49 H ARG 49 -2.087 -1.455 -10.860 348 HA ARG 49 HA ARG 49 0.581 -1.013 -11.999 349 HB2 ARG 49 1HB ARG 49 -1.968 -1.389 -13.580 350 HB3 ARG 49 2HB ARG 49 -0.451 -0.815 -14.259 351 HG2 ARG 49 1HG ARG 49 0.549 -2.871 -14.129 352 HG3 ARG 49 2HG ARG 49 -0.476 -3.405 -12.795 353 HD2 ARG 49 1HD ARG 49 -1.225 -4.640 -14.635 354 HD3 ARG 49 2HD ARG 49 -2.396 -3.331 -14.478 355 HE ARG 49 HE ARG 49 -0.426 -2.478 -16.246 356 HH11 ARG 49 2HH1 ARG 49 -2.880 -4.941 -16.065 357 HH12 ARG 49 1HH1 ARG 49 -3.121 -5.010 -17.780 358 HH21 ARG 49 2HH2 ARG 49 -0.734 -2.560 -18.505 359 HH22 ARG 49 1HH2 ARG 49 -1.899 -3.656 -19.166 360 HA PRO 50 HA PRO 50 -0.402 3.225 -11.306 361 HB2 PRO 50 1HB PRO 50 1.429 4.349 -12.965 362 HB3 PRO 50 2HB PRO 50 1.860 3.608 -11.420 363 HG2 PRO 50 1HG PRO 50 2.046 2.472 -14.184 364 HG3 PRO 50 2HG PRO 50 3.215 2.375 -12.854 365 HD2 PRO 50 1HD PRO 50 1.541 0.339 -13.473 366 HD3 PRO 50 2HD PRO 50 2.078 0.662 -11.812 367 H GLY 51 H GLY 51 -1.587 4.876 -12.213 368 HA2 GLY 51 1HA GLY 51 -1.888 5.444 -14.923 369 HA3 GLY 51 2HA GLY 51 -3.137 4.279 -14.507 370 H ASP 52 H ASP 52 -4.855 4.896 -13.222 371 HA ASP 52 HA ASP 52 -4.970 7.753 -12.514 372 HB2 ASP 52 1HB ASP 52 -6.397 7.678 -14.353 373 HB3 ASP 52 2HB ASP 52 -6.968 6.056 -13.971 374 H LYS 53 H LYS 53 -6.801 4.731 -12.003 375 HA LYS 53 HA LYS 53 -7.890 5.439 -9.532 376 HB2 LYS 53 1HB LYS 53 -8.457 3.457 -11.090 377 HB3 LYS 53 2HB LYS 53 -7.177 2.604 -10.237 378 HG2 LYS 53 1HG LYS 53 -9.336 3.931 -8.669 379 HG3 LYS 53 2HG LYS 53 -9.660 2.391 -9.468 380 HD2 LYS 53 1HD LYS 53 -7.379 1.716 -8.321 381 HD3 LYS 53 2HD LYS 53 -7.819 3.018 -7.213 382 HE2 LYS 53 1HE LYS 53 -10.096 1.863 -7.054 383 HE3 LYS 53 2HE LYS 53 -9.309 0.479 -7.813 384 HZ1 LYS 53 1HZ LYS 53 -8.724 -0.098 -5.763 385 HZ2 LYS 53 2HZ LYS 53 -9.147 1.404 -5.112 386 HZ3 LYS 53 3HZ LYS 53 -7.616 1.180 -5.797 387 H TYR 54 H TYR 54 -4.887 3.729 -10.305 388 HA TYR 54 HA TYR 54 -4.128 3.882 -7.467 389 HB2 TYR 54 1HB TYR 54 -3.163 2.089 -9.697 390 HB3 TYR 54 2HB TYR 54 -2.365 2.190 -8.131 391 HD1 TYR 54 1HD TYR 54 -3.635 1.509 -6.071 392 HD2 TYR 54 2HD TYR 54 -5.108 0.777 -9.995 393 HE1 TYR 54 1HE TYR 54 -5.184 -0.174 -5.169 394 HE2 TYR 54 2HE TYR 54 -6.662 -0.907 -9.103 395 HH TYR 54 HH TYR 54 -7.517 -1.832 -7.260 396 H SER 55 H SER 55 -2.081 4.661 -6.880 397 HA SER 55 HA SER 55 -0.554 6.047 -8.968 398 HB2 SER 55 1HB SER 55 -1.293 7.315 -6.321 399 HB3 SER 55 2HB SER 55 -0.386 8.063 -7.636 400 HG SER 55 HG SER 55 -2.505 7.374 -8.824 401 H LEU 56 H LEU 56 1.581 5.767 -8.800 402 HA LEU 56 HA LEU 56 2.684 4.881 -6.221 403 HB2 LEU 56 1HB LEU 56 3.275 3.748 -8.949 404 HB3 LEU 56 2HB LEU 56 4.217 3.391 -7.503 405 HG LEU 56 HG LEU 56 1.953 2.562 -6.538 406 HD11 LEU 56 1HD1 LEU 56 0.216 2.165 -7.923 407 HD12 LEU 56 2HD1 LEU 56 1.253 1.834 -9.310 408 HD13 LEU 56 3HD1 LEU 56 0.926 3.499 -8.832 409 HD21 LEU 56 1HD2 LEU 56 3.348 1.005 -8.713 410 HD22 LEU 56 2HD2 LEU 56 2.389 0.339 -7.391 411 HD23 LEU 56 3HD2 LEU 56 3.913 1.160 -7.049 412 H ARG 57 H ARG 57 4.316 6.101 -5.549 413 HA ARG 57 HA ARG 57 5.888 7.578 -7.556 414 HB2 ARG 57 1HB ARG 57 4.193 8.872 -6.018 415 HB3 ARG 57 2HB ARG 57 5.458 8.688 -4.811 416 HG2 ARG 57 1HG ARG 57 5.880 10.768 -5.752 417 HG3 ARG 57 2HG ARG 57 7.019 9.699 -6.573 418 HD2 ARG 57 1HD ARG 57 5.655 9.611 -8.521 419 HD3 ARG 57 2HD ARG 57 4.318 10.409 -7.694 420 HE ARG 57 HE ARG 57 5.288 12.420 -8.168 421 HH11 ARG 57 2HH1 ARG 57 7.684 9.915 -8.492 422 HH12 ARG 57 1HH1 ARG 57 8.896 10.976 -9.129 423 HH21 ARG 57 2HH2 ARG 57 6.875 13.827 -9.006 424 HH22 ARG 57 1HH2 ARG 57 8.435 13.202 -9.420 425 H GLN 58 H GLN 58 7.816 6.612 -7.602 426 HA GLN 58 HA GLN 58 8.962 5.477 -5.185 427 HB2 GLN 58 1HB GLN 58 9.043 4.304 -7.407 428 HB3 GLN 58 2HB GLN 58 10.148 5.554 -7.962 429 HG2 GLN 58 1HG GLN 58 10.692 3.839 -5.557 430 HG3 GLN 58 2HG GLN 58 11.200 3.406 -7.189 431 HE21 GLN 58 1HE2 GLN 58 12.429 4.453 -4.487 432 HE22 GLN 58 2HE2 GLN 58 13.624 5.568 -5.046 433 H GLU 59 H GLU 59 10.607 6.319 -4.037 434 HA GLU 59 HA GLU 59 12.354 8.334 -5.109 435 HB2 GLU 59 1HB GLU 59 10.092 9.425 -4.286 436 HB3 GLU 59 2HB GLU 59 10.835 9.244 -2.704 437 HG2 GLU 59 1HG GLU 59 11.361 11.415 -3.412 438 HG3 GLU 59 2HG GLU 59 12.832 10.471 -3.641 439 H GLY 60 H GLY 60 14.292 8.153 -4.174 440 HA2 GLY 60 1HA GLY 60 15.919 7.196 -2.840 441 HA3 GLY 60 2HA GLY 60 14.995 7.974 -1.563 442 H ALA 61 H ALA 61 14.208 6.710 -0.014 443 HA ALA 61 HA ALA 61 13.888 3.837 -0.594 444 HB1 ALA 61 1HB ALA 61 14.381 4.311 2.193 445 HB2 ALA 61 2HB ALA 61 15.281 3.311 1.052 446 HB3 ALA 61 3HB ALA 61 15.668 5.023 1.219 447 H MET 62 H MET 62 11.895 5.972 -0.720 448 HA MET 62 HA MET 62 10.057 4.960 1.346 449 HB2 MET 62 1HB MET 62 10.512 7.182 2.018 450 HB3 MET 62 2HB MET 62 10.434 7.782 0.367 451 HG2 MET 62 1HG MET 62 8.478 8.469 1.583 452 HG3 MET 62 2HG MET 62 8.027 7.319 0.326 453 HE1 MET 62 1HE MET 62 7.881 8.155 4.111 454 HE2 MET 62 2HE MET 62 6.501 8.367 3.033 455 HE3 MET 62 3HE MET 62 6.428 7.179 4.335 456 H LEU 63 H LEU 63 7.985 4.488 0.704 457 HA LEU 63 HA LEU 63 7.347 4.889 -2.141 458 HB2 LEU 63 1HB LEU 63 6.611 2.420 -0.591 459 HB3 LEU 63 2HB LEU 63 6.465 2.694 -2.326 460 HG LEU 63 HG LEU 63 9.161 2.679 -1.023 461 HD11 LEU 63 1HD1 LEU 63 7.411 0.333 -1.627 462 HD12 LEU 63 2HD1 LEU 63 8.465 0.620 -0.242 463 HD13 LEU 63 3HD1 LEU 63 9.161 0.208 -1.809 464 HD21 LEU 63 1HD2 LEU 63 9.562 1.593 -3.375 465 HD22 LEU 63 2HD2 LEU 63 9.398 3.341 -3.208 466 HD23 LEU 63 3HD2 LEU 63 8.030 2.375 -3.765 467 H GLU 64 H GLU 64 5.113 5.035 -2.652 468 HA GLU 64 HA GLU 64 3.220 5.204 -0.448 469 HB2 GLU 64 1HB GLU 64 4.400 7.485 -0.910 470 HB3 GLU 64 2HB GLU 64 3.365 7.535 -2.330 471 HG2 GLU 64 1HG GLU 64 1.429 7.134 -0.719 472 HG3 GLU 64 2HG GLU 64 2.574 7.537 0.559 473 H LEU 65 H LEU 65 1.564 4.008 -1.089 474 HA LEU 65 HA LEU 65 0.804 4.057 -3.934 475 HB2 LEU 65 1HB LEU 65 1.482 1.867 -3.359 476 HB3 LEU 65 2HB LEU 65 0.580 1.908 -1.846 477 HG LEU 65 HG LEU 65 -1.499 2.085 -3.413 478 HD11 LEU 65 1HD1 LEU 65 -1.204 0.907 -5.530 479 HD12 LEU 65 2HD1 LEU 65 0.535 0.824 -5.247 480 HD13 LEU 65 3HD1 LEU 65 -0.246 2.387 -5.482 481 HD21 LEU 65 1HD2 LEU 65 -1.882 -0.054 -2.853 482 HD22 LEU 65 2HD2 LEU 65 -0.349 0.077 -1.992 483 HD23 LEU 65 3HD2 LEU 65 -0.395 -0.626 -3.610 484 H VAL 66 H VAL 66 -0.772 5.546 -4.096 485 HA VAL 66 HA VAL 66 -2.759 5.906 -2.042 486 HB VAL 66 HB VAL 66 -2.585 7.095 -4.814 487 HG11 VAL 66 1HG1 VAL 66 -4.349 8.507 -4.291 488 HG12 VAL 66 2HG1 VAL 66 -4.870 6.968 -3.603 489 HG13 VAL 66 3HG1 VAL 66 -4.198 8.220 -2.558 490 HG21 VAL 66 1HG2 VAL 66 -0.934 8.311 -3.943 491 HG22 VAL 66 2HG2 VAL 66 -2.148 9.070 -2.913 492 HG23 VAL 66 3HG2 VAL 66 -1.233 7.683 -2.322 493 H VAL 67 H VAL 67 -4.889 5.315 -2.080 494 HA VAL 67 HA VAL 67 -5.817 3.716 -4.367 495 HB VAL 67 HB VAL 67 -6.168 2.975 -1.459 496 HG11 VAL 67 1HG1 VAL 67 -7.011 1.258 -3.753 497 HG12 VAL 67 2HG1 VAL 67 -7.578 1.258 -2.082 498 HG13 VAL 67 3HG1 VAL 67 -8.074 2.545 -3.183 499 HG21 VAL 67 1HG2 VAL 67 -5.021 0.834 -2.649 500 HG22 VAL 67 2HG2 VAL 67 -4.281 2.150 -3.560 501 HG23 VAL 67 3HG2 VAL 67 -4.122 2.095 -1.805 502 H ARG 68 H ARG 68 -7.405 4.924 -5.196 503 HA ARG 68 HA ARG 68 -9.179 6.421 -3.432 504 HB2 ARG 68 1HB ARG 68 -9.092 6.339 -6.453 505 HB3 ARG 68 2HB ARG 68 -10.017 7.465 -5.468 506 HG2 ARG 68 1HG ARG 68 -7.976 8.444 -4.613 507 HG3 ARG 68 2HG ARG 68 -7.013 7.269 -5.510 508 HD2 ARG 68 1HD ARG 68 -7.438 8.263 -7.535 509 HD3 ARG 68 2HD ARG 68 -8.968 8.953 -6.996 510 HE ARG 68 HE ARG 68 -6.342 10.122 -6.739 511 HH11 ARG 68 2HH1 ARG 68 -9.632 10.114 -5.600 512 HH12 ARG 68 1HH1 ARG 68 -9.562 11.733 -4.987 513 HH21 ARG 68 2HH2 ARG 68 -6.237 12.255 -5.936 514 HH22 ARG 68 1HH2 ARG 68 -7.631 12.950 -5.180 515 H ASN 69 H ASN 69 -11.554 6.412 -4.037 516 HA ASN 69 HA ASN 69 -13.539 5.307 -4.130 517 HB2 ASN 69 1HB ASN 69 -12.623 4.867 -6.482 518 HB3 ASN 69 2HB ASN 69 -12.197 3.263 -5.893 519 HD21 ASN 69 1HD2 ASN 69 -13.653 2.552 -7.586 520 HD22 ASN 69 2HD2 ASN 69 -15.349 2.482 -7.264 521 H LEU 70 H LEU 70 -12.351 4.815 -1.847 522 HA LEU 70 HA LEU 70 -11.848 2.035 -1.358 523 HB2 LEU 70 1HB LEU 70 -12.386 4.239 0.626 524 HB3 LEU 70 2HB LEU 70 -11.658 2.671 0.968 525 HG LEU 70 HG LEU 70 -10.393 4.741 -0.820 526 HD11 LEU 70 1HD1 LEU 70 -10.791 5.148 1.809 527 HD12 LEU 70 2HD1 LEU 70 -9.376 5.728 0.931 528 HD13 LEU 70 3HD1 LEU 70 -9.284 4.233 1.862 529 HD21 LEU 70 1HD2 LEU 70 -9.156 2.957 -1.362 530 HD22 LEU 70 2HD2 LEU 70 -9.748 2.010 0.002 531 HD23 LEU 70 3HD2 LEU 70 -8.430 3.159 0.232 532 H ARG 71 H ARG 71 -13.073 0.816 0.322 533 HA ARG 71 HA ARG 71 -15.822 1.517 0.775 534 HB2 ARG 71 1HB ARG 71 -15.065 -0.536 -1.271 535 HB3 ARG 71 2HB ARG 71 -16.527 -0.758 -0.320 536 HG2 ARG 71 1HG ARG 71 -17.219 1.550 -1.074 537 HG3 ARG 71 2HG ARG 71 -15.876 1.476 -2.217 538 HD2 ARG 71 1HD ARG 71 -17.911 0.791 -3.318 539 HD3 ARG 71 2HD ARG 71 -16.833 -0.595 -3.157 540 HE ARG 71 HE ARG 71 -18.378 -0.837 -0.981 541 HH11 ARG 71 2HH1 ARG 71 -19.152 -0.283 -4.330 542 HH12 ARG 71 1HH1 ARG 71 -20.681 -1.094 -4.246 543 HH21 ARG 71 2HH2 ARG 71 -20.388 -1.908 -0.858 544 HH22 ARG 71 1HH2 ARG 71 -21.383 -2.017 -2.270 545 HA PRO 72 HA PRO 72 -15.321 -1.118 4.246 546 HB2 PRO 72 1HB PRO 72 -17.829 -2.098 4.587 547 HB3 PRO 72 2HB PRO 72 -17.396 -0.422 4.946 548 HG2 PRO 72 1HG PRO 72 -18.737 -1.553 2.521 549 HG3 PRO 72 2HG PRO 72 -19.121 -0.077 3.426 550 HD2 PRO 72 1HD PRO 72 -17.725 -0.042 1.106 551 HD3 PRO 72 2HD PRO 72 -17.446 1.134 2.407 552 H GLN 73 H GLN 73 -15.721 -2.339 1.219 553 HA GLN 73 HA GLN 73 -15.769 -5.133 2.142 554 HB2 GLN 73 1HB GLN 73 -16.423 -3.925 -0.546 555 HB3 GLN 73 2HB GLN 73 -16.271 -5.656 -0.274 556 HG2 GLN 73 1HG GLN 73 -18.238 -3.845 1.110 557 HG3 GLN 73 2HG GLN 73 -18.601 -4.895 -0.258 558 HE21 GLN 73 1HE2 GLN 73 -18.203 -7.217 0.069 559 HE22 GLN 73 2HE2 GLN 73 -18.511 -7.888 1.631 560 H ASP 74 H ASP 74 -14.048 -2.815 0.120 561 HA ASP 74 HA ASP 74 -12.155 -4.444 -1.054 562 HB2 ASP 74 1HB ASP 74 -11.744 -1.647 0.025 563 HB3 ASP 74 2HB ASP 74 -10.707 -2.453 -1.147 564 H SER 75 H SER 75 -12.183 -3.080 2.202 565 HA SER 75 HA SER 75 -9.737 -3.437 3.195 566 HB2 SER 75 1HB SER 75 -12.401 -4.147 4.372 567 HB3 SER 75 2HB SER 75 -10.929 -4.492 5.281 568 HG SER 75 HG SER 75 -12.129 -2.076 4.700 569 H GLY 76 H GLY 76 -8.278 -4.939 2.681 570 HA2 GLY 76 1HA GLY 76 -8.968 -7.747 3.191 571 HA3 GLY 76 2HA GLY 76 -8.290 -7.320 1.627 572 H ARG 77 H ARG 77 -6.290 -8.127 1.607 573 HA ARG 77 HA ARG 77 -4.493 -7.356 3.804 574 HB2 ARG 77 1HB ARG 77 -5.117 -9.743 4.013 575 HB3 ARG 77 2HB ARG 77 -4.493 -10.030 2.394 576 HG2 ARG 77 1HG ARG 77 -2.261 -9.257 3.199 577 HG3 ARG 77 2HG ARG 77 -2.934 -9.203 4.830 578 HD2 ARG 77 1HD ARG 77 -1.743 -11.293 4.453 579 HD3 ARG 77 2HD ARG 77 -3.465 -11.586 4.689 580 HE ARG 77 HE ARG 77 -1.939 -11.995 2.260 581 HH11 ARG 77 2HH1 ARG 77 -5.080 -11.730 3.736 582 HH12 ARG 77 1HH1 ARG 77 -5.895 -12.570 2.459 583 HH21 ARG 77 2HH2 ARG 77 -3.000 -13.102 0.572 584 HH22 ARG 77 1HH2 ARG 77 -4.711 -13.351 0.659 585 H TYR 78 H TYR 78 -3.267 -5.838 2.857 586 HA TYR 78 HA TYR 78 -2.319 -6.245 0.123 587 HB2 TYR 78 1HB TYR 78 -1.946 -3.833 1.907 588 HB3 TYR 78 2HB TYR 78 -1.650 -3.921 0.174 589 HD1 TYR 78 1HD TYR 78 -3.513 -3.953 -1.407 590 HD2 TYR 78 2HD TYR 78 -4.191 -3.628 2.781 591 HE1 TYR 78 1HE TYR 78 -5.824 -3.232 -1.843 592 HE2 TYR 78 2HE TYR 78 -6.504 -2.908 2.356 593 HH TYR 78 HH TYR 78 -7.748 -1.770 0.405 594 H SER 79 H SER 79 -0.206 -6.516 -0.423 595 HA SER 79 HA SER 79 1.843 -6.364 1.651 596 HB2 SER 79 1HB SER 79 1.266 -8.870 0.053 597 HB3 SER 79 2HB SER 79 2.709 -8.623 1.035 598 HG SER 79 HG SER 79 1.119 -9.749 2.200 599 H CYS 80 H CYS 80 3.988 -6.255 0.833 600 HA CYS 80 HA CYS 80 4.153 -5.695 -2.054 601 HB2 CYS 80 1HB CYS 80 4.274 -3.571 -0.995 602 HB3 CYS 80 2HB CYS 80 5.356 -4.175 0.255 603 HG CYS 80 HG CYS 80 6.081 -2.844 -2.675 604 H SER 81 H SER 81 5.669 -6.783 -3.130 605 HA SER 81 HA SER 81 7.436 -8.546 -1.643 606 HB2 SER 81 1HB SER 81 6.159 -9.404 -3.587 607 HB3 SER 81 2HB SER 81 7.034 -8.287 -4.634 608 HG SER 81 HG SER 81 8.488 -10.035 -2.996 609 H PHE 82 H PHE 82 9.485 -8.095 -1.210 610 HA PHE 82 HA PHE 82 10.997 -6.354 -3.010 611 HB2 PHE 82 1HB PHE 82 10.195 -4.835 -1.304 612 HB3 PHE 82 2HB PHE 82 10.733 -5.922 -0.029 613 HD1 PHE 82 1HD PHE 82 12.347 -4.543 -3.099 614 HD2 PHE 82 2HD PHE 82 12.490 -5.020 1.128 615 HE1 PHE 82 1HE PHE 82 14.523 -3.395 -3.046 616 HE2 PHE 82 2HE PHE 82 14.666 -3.872 1.188 617 HZ PHE 82 HZ PHE 82 15.685 -3.057 -0.901 618 H GLY 83 H GLY 83 12.772 -7.417 -3.570 619 HA2 GLY 83 1HA GLY 83 14.570 -8.843 -3.501 620 HA3 GLY 83 2HA GLY 83 14.709 -8.364 -1.816 621 H ASP 84 H ASP 84 14.192 -9.793 -0.249 622 HA ASP 84 HA ASP 84 13.049 -12.367 -1.118 623 HB2 ASP 84 1HB ASP 84 14.379 -13.235 0.954 624 HB3 ASP 84 2HB ASP 84 15.230 -12.943 -0.560 625 H GLN 85 H GLN 85 13.139 -9.876 1.337 626 HA GLN 85 HA GLN 85 11.227 -11.247 3.027 627 HB2 GLN 85 1HB GLN 85 12.643 -8.599 3.187 628 HB3 GLN 85 2HB GLN 85 11.324 -8.996 4.281 629 HG2 GLN 85 1HG GLN 85 13.570 -10.923 4.002 630 HG3 GLN 85 2HG GLN 85 13.826 -9.445 4.929 631 HE21 GLN 85 1HE2 GLN 85 14.124 -10.819 6.762 632 HE22 GLN 85 2HE2 GLN 85 12.756 -11.454 7.605 633 H THR 86 H THR 86 9.117 -10.557 3.446 634 HA THR 86 HA THR 86 8.002 -8.595 1.556 635 HB THR 86 HB THR 86 6.724 -11.240 2.280 636 HG1 THR 86 1HG THR 86 6.990 -11.309 -0.202 637 HG21 THR 86 1HG2 THR 86 5.765 -8.818 0.828 638 HG22 THR 86 2HG2 THR 86 4.895 -9.895 1.921 639 HG23 THR 86 3HG2 THR 86 5.237 -10.405 0.268 640 H THR 87 H THR 87 6.093 -7.524 2.256 641 HA THR 87 HA THR 87 5.619 -7.693 5.161 642 HB THR 87 HB THR 87 6.838 -5.619 4.480 643 HG1 THR 87 1HG THR 87 5.063 -4.213 5.465 644 HG21 THR 87 1HG2 THR 87 4.974 -5.591 2.397 645 HG22 THR 87 2HG2 THR 87 6.161 -4.344 2.779 646 HG23 THR 87 3HG2 THR 87 4.528 -4.238 3.435 647 H SER 88 H SER 88 3.481 -7.010 5.870 648 HA SER 88 HA SER 88 1.385 -6.896 3.866 649 HB2 SER 88 1HB SER 88 0.131 -8.789 4.813 650 HB3 SER 88 2HB SER 88 1.694 -9.315 4.188 651 HG SER 88 HG SER 88 2.127 -10.012 6.109 652 H ALA 89 H ALA 89 -0.265 -5.648 4.515 653 HA ALA 89 HA ALA 89 -0.579 -5.114 7.390 654 HB1 ALA 89 1HB ALA 89 -1.230 -2.711 6.212 655 HB2 ALA 89 2HB ALA 89 0.269 -3.077 7.067 656 HB3 ALA 89 3HB ALA 89 0.194 -3.233 5.312 657 H THR 90 H THR 90 -2.688 -3.882 7.792 658 HA THR 90 HA THR 90 -4.783 -4.754 5.920 659 HB THR 90 HB THR 90 -4.978 -5.001 8.928 660 HG1 THR 90 1HG THR 90 -3.579 -6.566 7.821 661 HG21 THR 90 1HG2 THR 90 -6.949 -4.938 6.860 662 HG22 THR 90 2HG2 THR 90 -7.174 -5.154 8.596 663 HG23 THR 90 3HG2 THR 90 -6.903 -6.556 7.560 664 H LEU 91 H LEU 91 -6.104 -3.156 5.359 665 HA LEU 91 HA LEU 91 -6.033 -0.666 6.888 666 HB2 LEU 91 1HB LEU 91 -5.629 -0.349 4.581 667 HB3 LEU 91 2HB LEU 91 -6.992 -1.371 4.128 668 HG LEU 91 HG LEU 91 -8.517 0.373 5.050 669 HD11 LEU 91 1HD1 LEU 91 -7.550 2.641 5.362 670 HD12 LEU 91 2HD1 LEU 91 -5.943 1.917 5.307 671 HD13 LEU 91 3HD1 LEU 91 -7.063 1.480 6.598 672 HD21 LEU 91 1HD2 LEU 91 -7.071 1.952 3.098 673 HD22 LEU 91 2HD2 LEU 91 -8.659 1.194 2.985 674 HD23 LEU 91 3HD2 LEU 91 -7.208 0.262 2.612 675 H THR 92 H THR 92 -7.798 0.246 7.842 676 HA THR 92 HA THR 92 -10.174 -1.468 8.055 677 HB THR 92 HB THR 92 -9.214 0.753 9.868 678 HG1 THR 92 1HG THR 92 -9.199 -1.262 11.300 679 HG21 THR 92 1HG2 THR 92 -11.766 0.328 9.594 680 HG22 THR 92 2HG2 THR 92 -11.079 0.441 11.215 681 HG23 THR 92 3HG2 THR 92 -11.442 -1.138 10.519 682 H VAL 93 H VAL 93 -12.030 -0.859 7.158 683 HA VAL 93 HA VAL 93 -12.349 1.971 6.390 684 HB VAL 93 HB VAL 93 -13.448 -0.456 4.963 685 HG11 VAL 93 1HG1 VAL 93 -13.746 1.626 3.253 686 HG12 VAL 93 2HG1 VAL 93 -15.014 1.027 4.323 687 HG13 VAL 93 3HG1 VAL 93 -14.040 2.418 4.801 688 HG21 VAL 93 1HG2 VAL 93 -11.304 1.491 4.115 689 HG22 VAL 93 2HG2 VAL 93 -11.027 -0.163 4.662 690 HG23 VAL 93 3HG2 VAL 93 -11.915 0.134 3.168 691 H THR 94 H THR 94 -13.872 2.962 7.520 692 HA THR 94 HA THR 94 -15.945 1.407 8.854 693 HB THR 94 HB THR 94 -15.316 4.359 9.055 694 HG1 THR 94 1HG THR 94 -13.722 2.784 9.887 695 HG21 THR 94 1HG2 THR 94 -17.580 2.852 9.913 696 HG22 THR 94 2HG2 THR 94 -17.228 4.559 10.179 697 HG23 THR 94 3HG2 THR 94 -16.666 3.352 11.335 698 H ALA 95 H ALA 95 -18.119 1.606 8.480 699 HA ALA 95 HA ALA 95 -18.878 2.655 5.894 700 HB1 ALA 95 1HB ALA 95 -21.047 1.686 7.579 701 HB2 ALA 95 2HB ALA 95 -20.535 1.162 5.974 702 HB3 ALA 95 3HB ALA 95 -19.729 0.526 7.408 703 H LEU 96 H LEU 96 -19.730 4.593 5.533 704 HA LEU 96 HA LEU 96 -20.197 6.421 7.679 705 HB2 LEU 96 1HB LEU 96 -20.283 8.044 6.090 706 HB3 LEU 96 2HB LEU 96 -19.403 6.804 5.199 707 HG LEU 96 HG LEU 96 -21.733 6.133 4.296 708 HD11 LEU 96 1HD1 LEU 96 -23.503 7.446 4.663 709 HD12 LEU 96 2HD1 LEU 96 -22.558 8.926 4.503 710 HD13 LEU 96 3HD1 LEU 96 -22.585 8.059 6.038 711 HD21 LEU 96 1HD2 LEU 96 -20.794 6.981 2.475 712 HD22 LEU 96 2HD2 LEU 96 -19.757 8.013 3.460 713 HD23 LEU 96 3HD2 LEU 96 -21.347 8.586 2.954 714 HA PRO 97 HA PRO 97 -24.476 5.735 8.423 715 HB2 PRO 97 1HB PRO 97 -25.193 8.200 9.304 716 HB3 PRO 97 2HB PRO 97 -24.225 7.079 10.269 717 HG2 PRO 97 1HG PRO 97 -23.335 9.410 8.614 718 HG3 PRO 97 2HG PRO 97 -22.800 8.916 10.231 719 HD2 PRO 97 1HD PRO 97 -21.371 8.376 7.995 720 HD3 PRO 97 2HD PRO 97 -21.383 7.297 9.405 721 H SER 98 H SER 98 -25.498 5.379 6.490 722 HA SER 98 HA SER 98 -25.819 7.238 4.420 723 HB2 SER 98 1HB SER 98 -26.222 4.663 4.455 724 HB3 SER 98 2HB SER 98 -27.858 5.095 4.951 725 HG SER 98 HG SER 98 -26.797 6.443 2.759 726 H GLY 99 H GLY 99 -27.525 8.575 3.817 727 HA2 GLY 99 1HA GLY 99 -29.988 9.012 4.574 728 HA3 GLY 99 2HA GLY 99 -29.182 9.470 6.067 729 HA PRO 100 HA PRO 100 -29.511 13.091 3.045 730 HB2 PRO 100 1HB PRO 100 -31.241 14.590 4.504 731 HB3 PRO 100 2HB PRO 100 -31.772 13.413 3.298 732 HG2 PRO 100 1HG PRO 100 -31.612 13.134 6.274 733 HG3 PRO 100 2HG PRO 100 -32.896 12.611 5.169 734 HD2 PRO 100 1HD PRO 100 -31.040 10.905 6.156 735 HD3 PRO 100 2HD PRO 100 -31.757 10.707 4.544 736 H SER 101 H SER 101 -27.320 13.397 3.741 737 HA SER 101 HA SER 101 -26.518 14.321 6.244 738 HB2 SER 101 1HB SER 101 -25.346 14.515 3.491 739 HB3 SER 101 2HB SER 101 -24.590 15.388 4.823 740 HG SER 101 HG SER 101 -24.482 13.355 5.933 741 H SER 102 H SER 102 -25.748 16.471 6.843 742 HA SER 102 HA SER 102 -27.747 18.443 6.410 743 HB2 SER 102 1HB SER 102 -26.577 18.324 8.539 744 HB3 SER 102 2HB SER 102 -25.036 18.641 7.743 745 HG SER 102 HG SER 102 -26.158 20.485 8.773 746 H GLY 103 H GLY 103 -27.871 20.022 4.943 747 HA2 GLY 103 1HA GLY 103 -25.786 21.496 3.864 748 HA3 GLY 103 2HA GLY 103 -26.033 20.136 2.778 Start of MODEL 18 1 H1 GLY 1 H GLY 1 34.426 2.322 12.245 2 HA2 GLY 1 1HA GLY 1 33.137 0.574 13.314 3 HA3 GLY 1 2HA GLY 1 32.498 0.781 11.690 4 H SER 2 H SER 2 31.809 -1.300 11.381 5 HA SER 2 HA SER 2 33.934 -3.337 11.254 6 HB2 SER 2 1HB SER 2 31.124 -3.556 12.303 7 HB3 SER 2 2HB SER 2 31.969 -4.977 11.690 8 HG SER 2 HG SER 2 32.967 -3.257 13.715 9 H SER 3 H SER 3 33.637 -4.997 9.647 10 HA SER 3 HA SER 3 32.254 -3.963 7.280 11 HB2 SER 3 1HB SER 3 34.629 -4.453 6.993 12 HB3 SER 3 2HB SER 3 34.375 -6.108 7.546 13 HG SER 3 HG SER 3 33.220 -6.539 5.711 14 H GLY 4 H GLY 4 30.141 -4.613 7.790 15 HA2 GLY 4 1HA GLY 4 29.630 -7.429 7.218 16 HA3 GLY 4 2HA GLY 4 29.049 -6.826 8.763 17 H SER 5 H SER 5 26.911 -6.648 8.607 18 HA SER 5 HA SER 5 24.831 -6.195 7.779 19 HB2 SER 5 1HB SER 5 26.490 -3.793 7.139 20 HB3 SER 5 2HB SER 5 24.844 -3.871 6.510 21 HG SER 5 HG SER 5 24.105 -3.523 8.446 22 H SER 6 H SER 6 26.104 -8.033 6.204 23 HA SER 6 HA SER 6 25.839 -7.205 3.428 24 HB2 SER 6 1HB SER 6 26.775 -9.354 2.866 25 HB3 SER 6 2HB SER 6 27.715 -8.686 4.199 26 HG SER 6 HG SER 6 27.218 -10.852 4.604 27 H GLY 7 H GLY 7 24.416 -8.183 1.938 28 HA2 GLY 7 1HA GLY 7 22.678 -9.928 1.601 29 HA3 GLY 7 2HA GLY 7 22.084 -9.493 3.197 30 HA PRO 8 HA PRO 8 19.803 -7.113 -0.150 31 HB2 PRO 8 1HB PRO 8 17.330 -8.059 0.450 32 HB3 PRO 8 2HB PRO 8 18.410 -8.856 -0.699 33 HG2 PRO 8 1HG PRO 8 17.883 -9.511 2.174 34 HG3 PRO 8 2HG PRO 8 18.035 -10.605 0.787 35 HD2 PRO 8 1HD PRO 8 20.053 -10.191 2.545 36 HD3 PRO 8 2HD PRO 8 20.339 -10.538 0.827 37 H VAL 9 H VAL 9 17.657 -5.821 0.317 38 HA VAL 9 HA VAL 9 18.198 -4.186 2.604 39 HB VAL 9 HB VAL 9 15.979 -4.122 0.561 40 HG11 VAL 9 1HG1 VAL 9 16.410 -2.482 3.020 41 HG12 VAL 9 2HG1 VAL 9 15.693 -1.743 1.587 42 HG13 VAL 9 3HG1 VAL 9 14.913 -3.129 2.349 43 HG21 VAL 9 1HG2 VAL 9 18.123 -2.069 0.975 44 HG22 VAL 9 2HG2 VAL 9 18.422 -3.512 0.006 45 HG23 VAL 9 3HG2 VAL 9 17.149 -2.385 -0.461 46 H ARG 10 H ARG 10 17.181 -4.098 4.532 47 HA ARG 10 HA ARG 10 15.214 -6.199 5.088 48 HB2 ARG 10 1HB ARG 10 17.002 -4.555 6.877 49 HB3 ARG 10 2HB ARG 10 15.725 -5.591 7.502 50 HG2 ARG 10 1HG ARG 10 17.952 -6.586 5.744 51 HG3 ARG 10 2HG ARG 10 18.019 -6.590 7.507 52 HD2 ARG 10 1HD ARG 10 15.678 -7.826 6.134 53 HD3 ARG 10 2HD ARG 10 17.205 -8.706 6.186 54 HE ARG 10 HE ARG 10 16.963 -8.960 8.481 55 HH11 ARG 10 2HH1 ARG 10 14.443 -6.943 7.177 56 HH12 ARG 10 1HH1 ARG 10 13.464 -7.019 8.605 57 HH21 ARG 10 2HH2 ARG 10 15.683 -9.068 10.366 58 HH22 ARG 10 1HH2 ARG 10 14.171 -8.227 10.418 59 H PHE 11 H PHE 11 13.146 -5.749 5.500 60 HA PHE 11 HA PHE 11 12.043 -3.223 5.060 61 HB2 PHE 11 1HB PHE 11 11.043 -5.806 6.143 62 HB3 PHE 11 2HB PHE 11 10.065 -4.374 6.446 63 HD1 PHE 11 2HD PHE 11 9.841 -2.832 4.231 64 HD2 PHE 11 1HD PHE 11 10.473 -7.040 4.309 65 HE1 PHE 11 2HE PHE 11 8.875 -3.015 1.976 66 HE2 PHE 11 1HE PHE 11 9.509 -7.230 2.053 67 HZ PHE 11 HZ PHE 11 8.707 -5.216 0.884 68 H GLN 12 H GLN 12 13.087 -1.681 6.328 69 HA GLN 12 HA GLN 12 13.402 -1.838 9.120 70 HB2 GLN 12 1HB GLN 12 14.600 -0.264 7.559 71 HB3 GLN 12 2HB GLN 12 13.125 0.692 7.496 72 HG2 GLN 12 1HG GLN 12 14.684 1.649 9.070 73 HG3 GLN 12 2HG GLN 12 13.255 1.050 9.910 74 HE21 GLN 12 1HE2 GLN 12 14.676 1.156 11.785 75 HE22 GLN 12 2HE2 GLN 12 15.717 -0.181 12.121 76 H GLU 13 H GLU 13 11.156 0.292 7.343 77 HA GLU 13 HA GLU 13 9.233 -0.073 9.546 78 HB2 GLU 13 1HB GLU 13 10.462 2.238 9.181 79 HB3 GLU 13 2HB GLU 13 9.244 2.437 7.928 80 HG2 GLU 13 1HG GLU 13 8.540 1.735 10.759 81 HG3 GLU 13 2HG GLU 13 8.716 3.399 10.207 82 H ALA 14 H ALA 14 8.633 -1.878 7.991 83 HA ALA 14 HA ALA 14 7.489 -1.410 5.490 84 HB1 ALA 14 1HB ALA 14 6.911 -3.598 5.515 85 HB2 ALA 14 2HB ALA 14 8.012 -3.624 6.893 86 HB3 ALA 14 3HB ALA 14 6.271 -3.525 7.157 87 H LEU 15 H LEU 15 5.053 -1.936 5.097 88 HA LEU 15 HA LEU 15 3.534 0.228 5.896 89 HB2 LEU 15 1HB LEU 15 2.522 -2.492 5.081 90 HB3 LEU 15 2HB LEU 15 1.594 -0.993 5.060 91 HG LEU 15 HG LEU 15 4.090 -1.158 3.437 92 HD11 LEU 15 1HD1 LEU 15 3.320 -2.603 1.920 93 HD12 LEU 15 2HD1 LEU 15 1.681 -1.957 2.000 94 HD13 LEU 15 3HD1 LEU 15 2.220 -3.144 3.188 95 HD21 LEU 15 1HD2 LEU 15 3.243 0.639 2.380 96 HD22 LEU 15 2HD2 LEU 15 2.268 0.797 3.842 97 HD23 LEU 15 3HD2 LEU 15 1.594 0.014 2.411 98 H LYS 16 H LYS 16 1.631 0.350 7.250 99 HA LYS 16 HA LYS 16 1.477 -1.611 9.414 100 HB2 LYS 16 1HB LYS 16 1.493 0.144 11.127 101 HB3 LYS 16 2HB LYS 16 3.007 0.110 10.233 102 HG2 LYS 16 1HG LYS 16 2.277 2.021 8.906 103 HG3 LYS 16 2HG LYS 16 0.747 2.050 9.786 104 HD2 LYS 16 1HD LYS 16 2.107 2.339 11.895 105 HD3 LYS 16 2HD LYS 16 3.511 2.594 10.855 106 HE2 LYS 16 1HE LYS 16 2.173 4.422 9.727 107 HE3 LYS 16 2HE LYS 16 1.009 4.258 11.042 108 HZ1 LYS 16 1HZ LYS 16 3.645 5.456 11.046 109 HZ2 LYS 16 2HZ LYS 16 3.300 4.496 12.395 110 HZ3 LYS 16 3HZ LYS 16 2.296 5.801 12.007 111 H ASP 17 H ASP 17 -0.484 -1.404 10.706 112 HA ASP 17 HA ASP 17 -2.801 -1.282 9.258 113 HB2 ASP 17 1HB ASP 17 -2.295 -1.989 11.761 114 HB3 ASP 17 2HB ASP 17 -2.920 -0.378 12.101 115 H LEU 18 H LEU 18 -4.198 0.245 8.575 116 HA LEU 18 HA LEU 18 -3.720 3.025 9.415 117 HB2 LEU 18 1HB LEU 18 -2.769 2.625 7.187 118 HB3 LEU 18 2HB LEU 18 -4.345 2.076 6.621 119 HG LEU 18 HG LEU 18 -5.122 4.463 7.336 120 HD11 LEU 18 1HD1 LEU 18 -2.470 4.653 8.071 121 HD12 LEU 18 2HD1 LEU 18 -3.589 5.996 7.841 122 HD13 LEU 18 3HD1 LEU 18 -2.533 5.494 6.522 123 HD21 LEU 18 1HD2 LEU 18 -4.589 3.299 4.974 124 HD22 LEU 18 2HD2 LEU 18 -3.421 4.620 4.929 125 HD23 LEU 18 3HD2 LEU 18 -5.139 4.967 5.135 126 H GLU 19 H GLU 19 -5.517 4.334 9.618 127 HA GLU 19 HA GLU 19 -8.108 2.943 9.441 128 HB2 GLU 19 1HB GLU 19 -7.233 3.650 11.732 129 HB3 GLU 19 2HB GLU 19 -7.508 5.306 11.212 130 HG2 GLU 19 1HG GLU 19 -9.908 4.379 10.662 131 HG3 GLU 19 2HG GLU 19 -9.464 3.171 11.866 132 H VAL 20 H VAL 20 -9.381 3.634 7.866 133 HA VAL 20 HA VAL 20 -9.520 6.494 7.274 134 HB VAL 20 HB VAL 20 -9.259 4.466 5.057 135 HG11 VAL 20 1HG1 VAL 20 -10.487 6.440 4.424 136 HG12 VAL 20 2HG1 VAL 20 -9.231 7.481 5.098 137 HG13 VAL 20 3HG1 VAL 20 -8.889 6.490 3.679 138 HG21 VAL 20 1HG2 VAL 20 -7.196 5.934 6.581 139 HG22 VAL 20 2HG2 VAL 20 -7.097 4.391 5.733 140 HG23 VAL 20 3HG2 VAL 20 -7.010 5.902 4.827 141 H LEU 21 H LEU 21 -11.459 7.139 6.215 142 HA LEU 21 HA LEU 21 -13.698 5.396 6.835 143 HB2 LEU 21 1HB LEU 21 -13.536 7.904 7.347 144 HB3 LEU 21 2HB LEU 21 -13.875 8.140 5.633 145 HG LEU 21 HG LEU 21 -15.744 6.457 7.229 146 HD11 LEU 21 1HD1 LEU 21 -16.945 8.813 7.519 147 HD12 LEU 21 2HD1 LEU 21 -15.270 9.354 7.619 148 HD13 LEU 21 3HD1 LEU 21 -15.872 8.138 8.746 149 HD21 LEU 21 1HD2 LEU 21 -15.725 8.012 4.725 150 HD22 LEU 21 2HD2 LEU 21 -17.225 8.061 5.652 151 HD23 LEU 21 3HD2 LEU 21 -16.562 6.513 5.127 152 H GLU 22 H GLU 22 -15.387 4.934 5.320 153 HA GLU 22 HA GLU 22 -14.412 4.102 2.785 154 HB2 GLU 22 1HB GLU 22 -16.448 3.047 2.501 155 HB3 GLU 22 2HB GLU 22 -16.344 3.137 4.254 156 HG2 GLU 22 1HG GLU 22 -17.822 5.025 4.303 157 HG3 GLU 22 2HG GLU 22 -17.826 5.118 2.543 158 H GLY 23 H GLY 23 -15.283 4.718 0.693 159 HA2 GLY 23 1HA GLY 23 -15.975 6.232 -0.903 160 HA3 GLY 23 2HA GLY 23 -16.755 7.148 0.378 161 H GLY 24 H GLY 24 -13.362 6.361 0.531 162 HA2 GLY 24 1HA GLY 24 -12.682 9.100 -0.309 163 HA3 GLY 24 2HA GLY 24 -12.136 8.508 1.253 164 H ALA 25 H ALA 25 -9.970 8.461 0.946 165 HA ALA 25 HA ALA 25 -8.982 6.538 -1.037 166 HB1 ALA 25 1HB ALA 25 -6.976 8.376 -1.044 167 HB2 ALA 25 2HB ALA 25 -8.244 8.263 -2.265 168 HB3 ALA 25 3HB ALA 25 -8.402 9.408 -0.933 169 H ALA 26 H ALA 26 -7.138 5.410 -0.442 170 HA ALA 26 HA ALA 26 -6.333 5.745 2.372 171 HB1 ALA 26 1HB ALA 26 -5.552 3.200 1.367 172 HB2 ALA 26 2HB ALA 26 -6.712 3.577 2.641 173 HB3 ALA 26 3HB ALA 26 -7.248 3.468 0.964 174 H THR 27 H THR 27 -4.328 6.410 2.736 175 HA THR 27 HA THR 27 -2.317 6.040 0.611 176 HB THR 27 HB THR 27 -2.310 8.221 2.702 177 HG1 THR 27 1HG THR 27 -3.019 8.464 -0.045 178 HG21 THR 27 1HG2 THR 27 -0.612 7.561 0.323 179 HG22 THR 27 2HG2 THR 27 -0.118 7.995 1.959 180 HG23 THR 27 3HG2 THR 27 -0.763 9.228 0.877 181 H LEU 28 H LEU 28 -0.874 4.539 1.124 182 HA LEU 28 HA LEU 28 -0.204 4.112 3.953 183 HB2 LEU 28 1HB LEU 28 0.325 2.308 1.598 184 HB3 LEU 28 2HB LEU 28 0.586 1.923 3.298 185 HG LEU 28 HG LEU 28 -2.016 2.397 3.431 186 HD11 LEU 28 1HD1 LEU 28 -2.476 1.046 0.993 187 HD12 LEU 28 2HD1 LEU 28 -1.503 2.472 0.631 188 HD13 LEU 28 3HD1 LEU 28 -3.038 2.645 1.482 189 HD21 LEU 28 1HD2 LEU 28 -2.352 0.084 3.448 190 HD22 LEU 28 2HD2 LEU 28 -0.652 0.276 3.873 191 HD23 LEU 28 3HD2 LEU 28 -1.103 -0.200 2.236 192 H ARG 29 H ARG 29 2.057 3.570 4.452 193 HA ARG 29 HA ARG 29 4.042 4.574 2.568 194 HB2 ARG 29 1HB ARG 29 3.360 5.845 5.188 195 HB3 ARG 29 2HB ARG 29 5.032 5.852 4.646 196 HG2 ARG 29 1HG ARG 29 4.301 6.939 2.546 197 HG3 ARG 29 2HG ARG 29 2.665 7.023 3.203 198 HD2 ARG 29 1HD ARG 29 4.960 8.145 4.755 199 HD3 ARG 29 2HD ARG 29 4.265 9.068 3.422 200 HE ARG 29 HE ARG 29 3.058 8.536 5.991 201 HH11 ARG 29 2HH1 ARG 29 2.539 9.496 2.685 202 HH12 ARG 29 1HH1 ARG 29 1.044 10.305 3.018 203 HH21 ARG 29 2HH2 ARG 29 1.090 9.597 6.442 204 HH22 ARG 29 1HH2 ARG 29 0.221 10.362 5.155 205 H CYS 30 H CYS 30 6.241 4.042 3.185 206 HA CYS 30 HA CYS 30 6.796 2.386 5.430 207 HB2 CYS 30 1HB CYS 30 7.294 0.305 4.186 208 HB3 CYS 30 2HB CYS 30 5.584 0.715 4.148 209 HG CYS 30 HG CYS 30 5.498 1.509 1.548 210 H VAL 31 H VAL 31 8.864 2.700 5.909 211 HA VAL 31 HA VAL 31 10.660 3.654 3.788 212 HB VAL 31 HB VAL 31 11.007 3.875 6.781 213 HG11 VAL 31 1HG1 VAL 31 12.594 4.871 4.437 214 HG12 VAL 31 2HG1 VAL 31 12.686 5.653 6.016 215 HG13 VAL 31 3HG1 VAL 31 13.147 3.959 5.841 216 HG21 VAL 31 1HG2 VAL 31 10.689 6.417 5.740 217 HG22 VAL 31 2HG2 VAL 31 9.478 5.459 4.886 218 HG23 VAL 31 3HG2 VAL 31 9.485 5.503 6.649 219 H LEU 32 H LEU 32 12.149 2.312 3.033 220 HA LEU 32 HA LEU 32 12.679 -0.193 4.383 221 HB2 LEU 32 1HB LEU 32 13.913 0.856 1.845 222 HB3 LEU 32 2HB LEU 32 13.885 -0.814 2.408 223 HG LEU 32 HG LEU 32 11.409 0.723 1.642 224 HD11 LEU 32 1HD1 LEU 32 11.476 -0.416 -0.482 225 HD12 LEU 32 2HD1 LEU 32 12.976 -1.229 -0.036 226 HD13 LEU 32 3HD1 LEU 32 12.956 0.519 -0.269 227 HD21 LEU 32 1HD2 LEU 32 10.297 -1.342 1.724 228 HD22 LEU 32 2HD2 LEU 32 11.294 -1.307 3.179 229 HD23 LEU 32 3HD2 LEU 32 11.807 -2.251 1.779 230 H SER 33 H SER 33 15.087 -0.933 4.276 231 HA SER 33 HA SER 33 16.525 0.531 6.160 232 HB2 SER 33 1HB SER 33 16.809 -1.924 5.513 233 HB3 SER 33 2HB SER 33 17.803 -1.350 4.175 234 HG SER 33 HG SER 33 18.841 -1.915 6.304 235 H SER 34 H SER 34 16.535 0.681 2.668 236 HA SER 34 HA SER 34 17.821 3.228 2.682 237 HB2 SER 34 1HB SER 34 19.749 1.581 2.945 238 HB3 SER 34 2HB SER 34 19.374 1.028 1.313 239 HG SER 34 HG SER 34 20.718 2.598 0.833 240 H VAL 35 H VAL 35 18.467 3.751 0.239 241 HA VAL 35 HA VAL 35 16.084 3.759 -1.224 242 HB VAL 35 HB VAL 35 18.918 4.226 -2.155 243 HG11 VAL 35 1HG1 VAL 35 17.892 5.347 -4.103 244 HG12 VAL 35 2HG1 VAL 35 17.569 3.613 -4.064 245 HG13 VAL 35 3HG1 VAL 35 16.315 4.757 -3.583 246 HG21 VAL 35 1HG2 VAL 35 18.582 6.475 -1.738 247 HG22 VAL 35 2HG2 VAL 35 16.825 6.330 -1.786 248 HG23 VAL 35 3HG2 VAL 35 17.722 5.724 -0.393 249 H ALA 36 H ALA 36 15.110 2.030 -2.049 250 HA ALA 36 HA ALA 36 16.713 0.154 -3.643 251 HB1 ALA 36 1HB ALA 36 14.775 -1.477 -2.619 252 HB2 ALA 36 2HB ALA 36 16.434 -1.371 -2.030 253 HB3 ALA 36 3HB ALA 36 15.158 -0.443 -1.242 254 H ALA 37 H ALA 37 15.963 0.106 -5.648 255 HA ALA 37 HA ALA 37 13.239 -0.318 -6.288 256 HB1 ALA 37 1HB ALA 37 13.863 2.365 -5.812 257 HB2 ALA 37 2HB ALA 37 13.780 2.201 -7.567 258 HB3 ALA 37 3HB ALA 37 12.406 1.721 -6.571 259 HA PRO 38 HA PRO 38 12.100 0.810 -8.324 260 HB2 PRO 38 1HB PRO 38 10.906 -0.810 -10.146 261 HB3 PRO 38 2HB PRO 38 11.747 0.680 -10.591 262 HG2 PRO 38 1HG PRO 38 12.715 -2.150 -10.712 263 HG3 PRO 38 2HG PRO 38 12.911 -0.849 -11.900 264 HD2 PRO 38 1HD PRO 38 14.879 -1.561 -10.183 265 HD3 PRO 38 2HD PRO 38 14.666 0.107 -10.752 266 H VAL 39 H VAL 39 10.236 -0.056 -7.353 267 HA VAL 39 HA VAL 39 10.647 -2.691 -6.116 268 HB VAL 39 HB VAL 39 8.679 -0.600 -5.205 269 HG11 VAL 39 1HG1 VAL 39 9.340 -1.934 -3.002 270 HG12 VAL 39 2HG1 VAL 39 8.065 -2.487 -4.090 271 HG13 VAL 39 3HG1 VAL 39 9.676 -3.199 -4.183 272 HG21 VAL 39 1HG2 VAL 39 10.669 -0.429 -3.390 273 HG22 VAL 39 2HG2 VAL 39 11.603 -0.714 -4.859 274 HG23 VAL 39 3HG2 VAL 39 10.500 0.659 -4.768 275 H LYS 40 H LYS 40 8.686 -3.989 -5.706 276 HA LYS 40 HA LYS 40 6.811 -3.772 -7.966 277 HB2 LYS 40 1HB LYS 40 8.146 -5.792 -8.074 278 HB3 LYS 40 2HB LYS 40 7.729 -6.198 -6.414 279 HG2 LYS 40 1HG LYS 40 5.506 -6.709 -6.986 280 HG3 LYS 40 2HG LYS 40 5.655 -5.941 -8.569 281 HD2 LYS 40 1HD LYS 40 7.188 -7.669 -9.298 282 HD3 LYS 40 2HD LYS 40 7.164 -8.405 -7.694 283 HE2 LYS 40 1HE LYS 40 4.612 -8.024 -9.203 284 HE3 LYS 40 2HE LYS 40 5.673 -9.374 -9.600 285 HZ1 LYS 40 1HZ LYS 40 5.601 -9.868 -7.118 286 HZ2 LYS 40 2HZ LYS 40 4.215 -10.223 -8.020 287 HZ3 LYS 40 3HZ LYS 40 4.265 -8.830 -7.061 288 H TRP 41 H TRP 41 4.603 -4.132 -7.621 289 HA TRP 41 HA TRP 41 3.741 -4.137 -4.806 290 HB2 TRP 41 1HB TRP 41 3.045 -2.246 -6.999 291 HB3 TRP 41 2HB TRP 41 1.767 -2.694 -5.873 292 HD1 TRP 41 HD TRP 41 5.109 -0.829 -6.020 293 HE1 TRP 41 1HE TRP 41 5.326 0.630 -3.911 294 HE3 TRP 41 3HE TRP 41 1.013 -2.495 -3.454 295 HZ2 TRP 41 2HZ TRP 41 3.945 1.023 -1.481 296 HZ3 TRP 41 3HZ TRP 41 0.532 -1.526 -1.243 297 HH2 TRP 41 HH TRP 41 1.969 0.196 -0.279 298 H CYS 42 H CYS 42 1.960 -5.349 -4.315 299 HA CYS 42 HA CYS 42 0.310 -6.469 -6.413 300 HB2 CYS 42 1HB CYS 42 0.786 -8.762 -5.994 301 HB3 CYS 42 2HB CYS 42 2.341 -7.969 -6.219 302 HG CYS 42 HG CYS 42 0.999 -8.755 -3.169 303 H TYR 43 H TYR 43 -1.719 -6.824 -5.721 304 HA TYR 43 HA TYR 43 -2.195 -6.709 -2.815 305 HB2 TYR 43 1HB TYR 43 -3.189 -4.758 -3.542 306 HB3 TYR 43 2HB TYR 43 -3.603 -5.428 -5.116 307 HD1 TYR 43 2HD TYR 43 -4.545 -5.454 -1.531 308 HD2 TYR 43 1HD TYR 43 -5.733 -6.359 -5.515 309 HE1 TYR 43 2HE TYR 43 -6.841 -5.858 -0.748 310 HE2 TYR 43 1HE TYR 43 -8.033 -6.764 -4.743 311 HH TYR 43 HH TYR 43 -9.482 -6.176 -2.887 312 H GLY 44 H GLY 44 -2.647 -8.700 -2.121 313 HA2 GLY 44 1HA GLY 44 -3.821 -10.662 -1.855 314 HA3 GLY 44 2HA GLY 44 -4.964 -10.071 -3.053 315 H ASN 45 H ASN 45 -4.840 -10.787 -5.132 316 HA ASN 45 HA ASN 45 -2.620 -12.606 -5.787 317 HB2 ASN 45 1HB ASN 45 -4.264 -14.036 -6.999 318 HB3 ASN 45 2HB ASN 45 -4.535 -13.988 -5.260 319 HD21 ASN 45 1HD2 ASN 45 -6.448 -13.323 -4.505 320 HD22 ASN 45 2HD2 ASN 45 -7.740 -12.725 -5.484 321 H ASN 46 H ASN 46 -2.553 -9.972 -6.520 322 HA ASN 46 HA ASN 46 -2.465 -10.189 -9.383 323 HB2 ASN 46 1HB ASN 46 -4.255 -8.052 -8.214 324 HB3 ASN 46 2HB ASN 46 -3.972 -8.390 -9.919 325 HD21 ASN 46 1HD2 ASN 46 -4.954 -10.161 -10.874 326 HD22 ASN 46 2HD2 ASN 46 -6.267 -11.002 -10.128 327 H VAL 47 H VAL 47 -1.392 -8.366 -10.387 328 HA VAL 47 HA VAL 47 0.422 -7.035 -8.507 329 HB VAL 47 HB VAL 47 1.387 -8.381 -10.376 330 HG11 VAL 47 1HG1 VAL 47 0.527 -6.155 -12.197 331 HG12 VAL 47 2HG1 VAL 47 1.216 -7.723 -12.620 332 HG13 VAL 47 3HG1 VAL 47 -0.432 -7.621 -11.999 333 HG21 VAL 47 1HG2 VAL 47 2.004 -5.429 -10.348 334 HG22 VAL 47 2HG2 VAL 47 2.719 -6.667 -9.316 335 HG23 VAL 47 3HG2 VAL 47 3.043 -6.670 -11.050 336 H LEU 48 H LEU 48 0.063 -4.987 -7.997 337 HA LEU 48 HA LEU 48 -1.881 -3.397 -9.349 338 HB2 LEU 48 1HB LEU 48 0.088 -2.822 -7.153 339 HB3 LEU 48 2HB LEU 48 -0.989 -1.587 -7.802 340 HG LEU 48 HG LEU 48 -1.896 -4.148 -6.487 341 HD11 LEU 48 1HD1 LEU 48 -2.498 -1.643 -5.143 342 HD12 LEU 48 2HD1 LEU 48 -0.767 -1.961 -5.250 343 HD13 LEU 48 3HD1 LEU 48 -1.836 -3.146 -4.499 344 HD21 LEU 48 1HD2 LEU 48 -4.087 -3.024 -6.458 345 HD22 LEU 48 2HD2 LEU 48 -3.500 -3.313 -8.096 346 HD23 LEU 48 3HD2 LEU 48 -3.401 -1.697 -7.396 347 H ARG 49 H ARG 49 -1.633 -1.786 -10.808 348 HA ARG 49 HA ARG 49 1.113 -1.120 -11.641 349 HB2 ARG 49 1HB ARG 49 -1.305 -1.550 -13.405 350 HB3 ARG 49 2HB ARG 49 0.240 -0.924 -13.964 351 HG2 ARG 49 1HG ARG 49 1.308 -3.035 -13.226 352 HG3 ARG 49 2HG ARG 49 -0.294 -3.655 -12.820 353 HD2 ARG 49 1HD ARG 49 0.162 -2.557 -15.549 354 HD3 ARG 49 2HD ARG 49 0.824 -4.144 -15.160 355 HE ARG 49 HE ARG 49 -1.317 -4.998 -15.086 356 HH11 ARG 49 2HH1 ARG 49 -1.420 -1.525 -15.303 357 HH12 ARG 49 1HH1 ARG 49 -3.119 -1.465 -15.634 358 HH21 ARG 49 2HH2 ARG 49 -3.556 -4.933 -15.521 359 HH22 ARG 49 1HH2 ARG 49 -4.333 -3.404 -15.756 360 HA PRO 50 HA PRO 50 -0.033 3.081 -11.007 361 HB2 PRO 50 1HB PRO 50 1.797 4.278 -12.617 362 HB3 PRO 50 2HB PRO 50 2.216 3.546 -11.063 363 HG2 PRO 50 1HG PRO 50 2.512 2.428 -13.824 364 HG3 PRO 50 2HG PRO 50 3.650 2.369 -12.465 365 HD2 PRO 50 1HD PRO 50 2.067 0.276 -13.132 366 HD3 PRO 50 2HD PRO 50 2.550 0.612 -11.457 367 H GLY 51 H GLY 51 -1.646 4.257 -11.830 368 HA2 GLY 51 1HA GLY 51 -1.788 4.850 -14.653 369 HA3 GLY 51 2HA GLY 51 -3.065 3.783 -14.086 370 H ASP 52 H ASP 52 -4.799 5.111 -14.270 371 HA ASP 52 HA ASP 52 -4.697 7.822 -13.252 372 HB2 ASP 52 1HB ASP 52 -6.781 6.183 -14.670 373 HB3 ASP 52 2HB ASP 52 -7.200 7.719 -13.917 374 H LYS 53 H LYS 53 -6.161 4.734 -12.389 375 HA LYS 53 HA LYS 53 -7.665 5.773 -10.192 376 HB2 LYS 53 1HB LYS 53 -8.188 3.654 -11.454 377 HB3 LYS 53 2HB LYS 53 -6.815 2.910 -10.646 378 HG2 LYS 53 1HG LYS 53 -8.826 2.298 -9.498 379 HG3 LYS 53 2HG LYS 53 -7.890 3.385 -8.469 380 HD2 LYS 53 1HD LYS 53 -9.323 5.224 -8.985 381 HD3 LYS 53 2HD LYS 53 -10.146 4.302 -10.245 382 HE2 LYS 53 1HE LYS 53 -10.140 3.328 -7.416 383 HE3 LYS 53 2HE LYS 53 -11.268 4.586 -7.920 384 HZ1 LYS 53 1HZ LYS 53 -11.961 3.029 -9.734 385 HZ2 LYS 53 2HZ LYS 53 -12.369 2.529 -8.171 386 HZ3 LYS 53 3HZ LYS 53 -11.055 1.822 -8.969 387 H TYR 54 H TYR 54 -4.903 3.511 -10.217 388 HA TYR 54 HA TYR 54 -4.295 4.164 -7.467 389 HB2 TYR 54 1HB TYR 54 -2.822 2.369 -9.406 390 HB3 TYR 54 2HB TYR 54 -2.542 2.465 -7.671 391 HD1 TYR 54 2HD TYR 54 -4.853 1.312 -10.285 392 HD2 TYR 54 1HD TYR 54 -4.037 1.399 -6.110 393 HE1 TYR 54 2HE TYR 54 -6.546 -0.435 -9.923 394 HE2 TYR 54 1HE TYR 54 -5.727 -0.348 -5.737 395 HH TYR 54 HH TYR 54 -7.644 -1.307 -6.776 396 H SER 55 H SER 55 -2.338 5.054 -6.725 397 HA SER 55 HA SER 55 -0.713 6.447 -8.740 398 HB2 SER 55 1HB SER 55 -2.006 7.628 -6.285 399 HB3 SER 55 2HB SER 55 -0.606 8.378 -7.052 400 HG SER 55 HG SER 55 -1.907 8.329 -9.029 401 H LEU 56 H LEU 56 1.089 5.211 -8.542 402 HA LEU 56 HA LEU 56 2.233 4.884 -5.851 403 HB2 LEU 56 1HB LEU 56 2.778 3.365 -8.397 404 HB3 LEU 56 2HB LEU 56 3.608 3.098 -6.866 405 HG LEU 56 HG LEU 56 1.235 2.612 -5.943 406 HD11 LEU 56 1HD1 LEU 56 -0.481 2.281 -7.357 407 HD12 LEU 56 2HD1 LEU 56 0.549 1.614 -8.623 408 HD13 LEU 56 3HD1 LEU 56 0.432 3.361 -8.410 409 HD21 LEU 56 1HD2 LEU 56 2.865 0.896 -6.013 410 HD22 LEU 56 2HD2 LEU 56 2.780 0.787 -7.772 411 HD23 LEU 56 3HD2 LEU 56 1.421 0.242 -6.787 412 H ARG 57 H ARG 57 3.452 6.664 -5.512 413 HA ARG 57 HA ARG 57 5.345 7.472 -7.610 414 HB2 ARG 57 1HB ARG 57 4.336 8.959 -5.179 415 HB3 ARG 57 2HB ARG 57 5.572 9.570 -6.271 416 HG2 ARG 57 1HG ARG 57 3.872 9.338 -8.124 417 HG3 ARG 57 2HG ARG 57 2.673 9.055 -6.860 418 HD2 ARG 57 1HD ARG 57 3.324 11.225 -5.839 419 HD3 ARG 57 2HD ARG 57 4.389 11.508 -7.216 420 HE ARG 57 HE ARG 57 1.846 10.971 -8.213 421 HH11 ARG 57 2HH1 ARG 57 3.446 13.393 -6.292 422 HH12 ARG 57 1HH1 ARG 57 2.395 14.675 -6.797 423 HH21 ARG 57 2HH2 ARG 57 0.456 12.649 -8.885 424 HH22 ARG 57 1HH2 ARG 57 0.694 14.250 -8.271 425 H GLN 58 H GLN 58 7.240 6.468 -7.391 426 HA GLN 58 HA GLN 58 8.222 5.588 -4.837 427 HB2 GLN 58 1HB GLN 58 8.585 4.349 -6.986 428 HB3 GLN 58 2HB GLN 58 9.676 5.635 -7.484 429 HG2 GLN 58 1HG GLN 58 10.159 4.267 -4.887 430 HG3 GLN 58 2HG GLN 58 10.577 3.437 -6.385 431 HE21 GLN 58 1HE2 GLN 58 12.455 4.157 -4.465 432 HE22 GLN 58 2HE2 GLN 58 13.499 5.361 -5.132 433 H GLU 59 H GLU 59 9.902 6.404 -3.648 434 HA GLU 59 HA GLU 59 11.438 8.657 -4.620 435 HB2 GLU 59 1HB GLU 59 9.249 9.565 -3.671 436 HB3 GLU 59 2HB GLU 59 9.826 9.025 -2.100 437 HG2 GLU 59 1HG GLU 59 10.463 11.231 -2.116 438 HG3 GLU 59 2HG GLU 59 11.929 10.424 -2.668 439 H GLY 60 H GLY 60 13.427 7.990 -4.140 440 HA2 GLY 60 1HA GLY 60 15.187 7.032 -3.005 441 HA3 GLY 60 2HA GLY 60 14.515 7.893 -1.628 442 H ALA 61 H ALA 61 14.286 6.620 0.073 443 HA ALA 61 HA ALA 61 13.735 3.767 -0.352 444 HB1 ALA 61 1HB ALA 61 15.669 4.886 1.148 445 HB2 ALA 61 2HB ALA 61 14.397 4.717 2.359 446 HB3 ALA 61 3HB ALA 61 14.969 3.301 1.478 447 H MET 62 H MET 62 11.513 5.121 -0.813 448 HA MET 62 HA MET 62 9.804 4.341 1.381 449 HB2 MET 62 1HB MET 62 10.597 6.797 1.716 450 HB3 MET 62 2HB MET 62 9.478 7.161 0.409 451 HG2 MET 62 1HG MET 62 7.621 6.423 1.662 452 HG3 MET 62 2HG MET 62 8.651 5.671 2.878 453 HE1 MET 62 1HE MET 62 7.673 8.862 1.107 454 HE2 MET 62 2HE MET 62 7.897 10.151 2.290 455 HE3 MET 62 3HE MET 62 9.292 9.476 1.446 456 H LEU 63 H LEU 63 7.771 3.793 0.714 457 HA LEU 63 HA LEU 63 7.142 4.264 -2.126 458 HB2 LEU 63 1HB LEU 63 6.358 1.839 -0.524 459 HB3 LEU 63 2HB LEU 63 6.136 2.095 -2.254 460 HG LEU 63 HG LEU 63 7.928 0.529 -1.894 461 HD11 LEU 63 1HD1 LEU 63 9.771 2.557 -2.618 462 HD12 LEU 63 2HD1 LEU 63 8.198 2.984 -3.290 463 HD13 LEU 63 3HD1 LEU 63 8.919 1.419 -3.662 464 HD21 LEU 63 1HD2 LEU 63 9.747 2.444 -0.608 465 HD22 LEU 63 2HD2 LEU 63 9.541 0.713 -0.339 466 HD23 LEU 63 3HD2 LEU 63 8.431 1.861 0.411 467 H GLU 64 H GLU 64 5.191 5.095 -2.584 468 HA GLU 64 HA GLU 64 3.222 5.255 -0.397 469 HB2 GLU 64 1HB GLU 64 4.457 7.417 -1.088 470 HB3 GLU 64 2HB GLU 64 3.471 7.347 -2.542 471 HG2 GLU 64 1HG GLU 64 1.513 7.755 -1.400 472 HG3 GLU 64 2HG GLU 64 2.167 7.185 0.135 473 H LEU 65 H LEU 65 1.161 4.705 -0.856 474 HA LEU 65 HA LEU 65 0.410 4.295 -3.664 475 HB2 LEU 65 1HB LEU 65 0.942 2.111 -3.060 476 HB3 LEU 65 2HB LEU 65 0.308 2.308 -1.427 477 HG LEU 65 HG LEU 65 -1.993 2.487 -2.589 478 HD11 LEU 65 1HD1 LEU 65 -2.005 1.041 -4.681 479 HD12 LEU 65 2HD1 LEU 65 -0.274 1.358 -4.776 480 HD13 LEU 65 3HD1 LEU 65 -1.420 2.696 -4.855 481 HD21 LEU 65 1HD2 LEU 65 -1.175 0.616 -1.165 482 HD22 LEU 65 2HD2 LEU 65 -0.564 -0.167 -2.623 483 HD23 LEU 65 3HD2 LEU 65 -2.295 0.115 -2.432 484 H VAL 66 H VAL 66 -1.329 5.477 -4.060 485 HA VAL 66 HA VAL 66 -3.251 5.948 -1.879 486 HB VAL 66 HB VAL 66 -2.782 7.590 -4.373 487 HG11 VAL 66 1HG1 VAL 66 -4.388 8.563 -2.070 488 HG12 VAL 66 2HG1 VAL 66 -4.517 8.953 -3.786 489 HG13 VAL 66 3HG1 VAL 66 -5.137 7.416 -3.180 490 HG21 VAL 66 1HG2 VAL 66 -0.976 8.145 -3.077 491 HG22 VAL 66 2HG2 VAL 66 -2.169 9.284 -2.453 492 HG23 VAL 66 3HG2 VAL 66 -1.815 7.802 -1.564 493 H VAL 67 H VAL 67 -5.033 4.767 -2.013 494 HA VAL 67 HA VAL 67 -6.051 4.040 -4.682 495 HB VAL 67 HB VAL 67 -6.491 2.587 -2.070 496 HG11 VAL 67 1HG1 VAL 67 -8.021 1.306 -3.081 497 HG12 VAL 67 2HG1 VAL 67 -8.114 2.599 -4.279 498 HG13 VAL 67 3HG1 VAL 67 -7.081 1.199 -4.569 499 HG21 VAL 67 1HG2 VAL 67 -4.292 2.097 -2.608 500 HG22 VAL 67 2HG2 VAL 67 -5.173 0.788 -3.396 501 HG23 VAL 67 3HG2 VAL 67 -4.595 2.159 -4.344 502 H ARG 68 H ARG 68 -7.631 5.419 -5.199 503 HA ARG 68 HA ARG 68 -9.343 6.595 -3.201 504 HB2 ARG 68 1HB ARG 68 -9.213 6.796 -6.205 505 HB3 ARG 68 2HB ARG 68 -10.487 7.568 -5.270 506 HG2 ARG 68 1HG ARG 68 -8.856 8.899 -4.081 507 HG3 ARG 68 2HG ARG 68 -7.540 8.074 -4.919 508 HD2 ARG 68 1HD ARG 68 -8.315 8.955 -7.047 509 HD3 ARG 68 2HD ARG 68 -9.685 9.725 -6.248 510 HE ARG 68 HE ARG 68 -6.948 10.643 -6.286 511 HH11 ARG 68 2HH1 ARG 68 -10.051 10.836 -4.721 512 HH12 ARG 68 1HH1 ARG 68 -9.750 12.395 -4.026 513 HH21 ARG 68 2HH2 ARG 68 -6.539 12.695 -5.377 514 HH22 ARG 68 1HH2 ARG 68 -7.752 13.451 -4.401 515 H ASN 69 H ASN 69 -11.806 6.686 -3.978 516 HA ASN 69 HA ASN 69 -13.784 5.561 -3.976 517 HB2 ASN 69 1HB ASN 69 -12.182 3.919 -5.933 518 HB3 ASN 69 2HB ASN 69 -13.868 3.556 -5.572 519 HD21 ASN 69 1HD2 ASN 69 -11.772 6.246 -6.529 520 HD22 ASN 69 2HD2 ASN 69 -12.917 6.985 -7.591 521 H LEU 70 H LEU 70 -12.263 5.051 -1.762 522 HA LEU 70 HA LEU 70 -11.760 2.353 -1.192 523 HB2 LEU 70 1HB LEU 70 -12.233 4.801 0.433 524 HB3 LEU 70 2HB LEU 70 -12.267 3.236 1.243 525 HG LEU 70 HG LEU 70 -9.950 4.478 -0.231 526 HD11 LEU 70 1HD1 LEU 70 -8.900 4.638 1.860 527 HD12 LEU 70 2HD1 LEU 70 -10.088 3.588 2.633 528 HD13 LEU 70 3HD1 LEU 70 -10.545 5.215 2.129 529 HD21 LEU 70 1HD2 LEU 70 -8.922 2.285 0.951 530 HD22 LEU 70 2HD2 LEU 70 -9.447 2.339 -0.732 531 HD23 LEU 70 3HD2 LEU 70 -10.519 1.684 0.507 532 H ARG 71 H ARG 71 -12.947 0.855 0.098 533 HA ARG 71 HA ARG 71 -15.782 1.353 0.503 534 HB2 ARG 71 1HB ARG 71 -14.683 -0.512 -1.543 535 HB3 ARG 71 2HB ARG 71 -16.091 -1.038 -0.630 536 HG2 ARG 71 1HG ARG 71 -17.074 1.265 -1.298 537 HG3 ARG 71 2HG ARG 71 -15.822 1.239 -2.541 538 HD2 ARG 71 1HD ARG 71 -16.703 -1.079 -3.138 539 HD3 ARG 71 2HD ARG 71 -18.099 -0.679 -2.138 540 HE ARG 71 HE ARG 71 -17.462 0.379 -4.746 541 HH11 ARG 71 2HH1 ARG 71 -19.272 0.819 -1.805 542 HH12 ARG 71 1HH1 ARG 71 -20.464 1.842 -2.537 543 HH21 ARG 71 2HH2 ARG 71 -19.025 1.725 -5.722 544 HH22 ARG 71 1HH2 ARG 71 -20.323 2.355 -4.765 545 HA PRO 72 HA PRO 72 -15.171 -1.181 4.036 546 HB2 PRO 72 1HB PRO 72 -17.658 -2.218 4.366 547 HB3 PRO 72 2HB PRO 72 -17.268 -0.529 4.713 548 HG2 PRO 72 1HG PRO 72 -18.562 -1.715 2.288 549 HG3 PRO 72 2HG PRO 72 -18.988 -0.241 3.176 550 HD2 PRO 72 1HD PRO 72 -17.574 -0.193 0.867 551 HD3 PRO 72 2HD PRO 72 -17.335 1.002 2.158 552 H GLN 73 H GLN 73 -15.855 -2.484 1.002 553 HA GLN 73 HA GLN 73 -15.492 -5.232 1.998 554 HB2 GLN 73 1HB GLN 73 -16.552 -6.000 -0.068 555 HB3 GLN 73 2HB GLN 73 -17.612 -4.910 0.816 556 HG2 GLN 73 1HG GLN 73 -16.991 -3.087 -0.686 557 HG3 GLN 73 2HG GLN 73 -15.931 -4.182 -1.573 558 HE21 GLN 73 1HE2 GLN 73 -17.173 -6.312 -2.165 559 HE22 GLN 73 2HE2 GLN 73 -18.692 -6.053 -2.945 560 H ASP 74 H ASP 74 -14.333 -2.772 -0.179 561 HA ASP 74 HA ASP 74 -12.664 -4.260 -1.831 562 HB2 ASP 74 1HB ASP 74 -13.192 -1.815 -2.058 563 HB3 ASP 74 2HB ASP 74 -12.054 -1.504 -0.750 564 H SER 75 H SER 75 -12.080 -2.969 1.406 565 HA SER 75 HA SER 75 -9.431 -3.278 1.790 566 HB2 SER 75 1HB SER 75 -9.992 -4.064 4.142 567 HB3 SER 75 2HB SER 75 -10.770 -2.567 3.630 568 HG SER 75 HG SER 75 -12.395 -3.742 4.468 569 H GLY 76 H GLY 76 -8.005 -4.942 2.431 570 HA2 GLY 76 1HA GLY 76 -8.825 -7.684 2.501 571 HA3 GLY 76 2HA GLY 76 -8.049 -7.272 0.979 572 H ARG 77 H ARG 77 -6.014 -7.934 0.965 573 HA ARG 77 HA ARG 77 -4.381 -7.470 3.370 574 HB2 ARG 77 1HB ARG 77 -4.995 -9.882 3.093 575 HB3 ARG 77 2HB ARG 77 -4.148 -9.872 1.552 576 HG2 ARG 77 1HG ARG 77 -2.115 -9.078 2.901 577 HG3 ARG 77 2HG ARG 77 -3.024 -9.619 4.314 578 HD2 ARG 77 1HD ARG 77 -1.807 -11.506 3.800 579 HD3 ARG 77 2HD ARG 77 -3.314 -11.813 2.937 580 HE ARG 77 HE ARG 77 -1.434 -10.473 1.281 581 HH11 ARG 77 2HH1 ARG 77 -2.217 -13.585 2.633 582 HH12 ARG 77 1HH1 ARG 77 -1.457 -14.476 1.357 583 HH21 ARG 77 2HH2 ARG 77 -0.429 -11.636 -0.405 584 HH22 ARG 77 1HH2 ARG 77 -0.439 -13.367 -0.370 585 H TYR 78 H TYR 78 -3.257 -5.720 2.682 586 HA TYR 78 HA TYR 78 -2.088 -5.690 0.018 587 HB2 TYR 78 1HB TYR 78 -2.203 -3.653 2.241 588 HB3 TYR 78 2HB TYR 78 -1.273 -3.400 0.767 589 HD1 TYR 78 1HD TYR 78 -2.615 -3.696 -1.469 590 HD2 TYR 78 2HD TYR 78 -4.405 -2.939 2.316 591 HE1 TYR 78 1HE TYR 78 -4.627 -2.843 -2.598 592 HE2 TYR 78 2HE TYR 78 -6.422 -2.086 1.198 593 HH TYR 78 HH TYR 78 -6.610 -1.043 -1.710 594 H SER 79 H SER 79 -0.287 -6.848 -0.218 595 HA SER 79 HA SER 79 1.845 -6.502 1.784 596 HB2 SER 79 1HB SER 79 2.523 -8.902 1.017 597 HB3 SER 79 2HB SER 79 1.216 -8.712 2.186 598 HG SER 79 HG SER 79 0.433 -10.073 0.658 599 H CYS 80 H CYS 80 3.651 -5.682 0.972 600 HA CYS 80 HA CYS 80 3.963 -5.514 -1.919 601 HB2 CYS 80 1HB CYS 80 4.294 -3.456 -0.708 602 HB3 CYS 80 2HB CYS 80 5.462 -4.219 0.363 603 HG CYS 80 HG CYS 80 5.872 -3.082 -2.790 604 H SER 81 H SER 81 5.523 -6.510 -3.081 605 HA SER 81 HA SER 81 7.215 -8.430 -1.633 606 HB2 SER 81 1HB SER 81 6.039 -8.429 -4.402 607 HB3 SER 81 2HB SER 81 7.418 -9.454 -4.006 608 HG SER 81 HG SER 81 6.184 -10.502 -2.483 609 H PHE 82 H PHE 82 9.376 -8.303 -1.729 610 HA PHE 82 HA PHE 82 10.771 -7.005 -3.863 611 HB2 PHE 82 1HB PHE 82 10.059 -5.010 -2.654 612 HB3 PHE 82 2HB PHE 82 10.714 -5.659 -1.154 613 HD1 PHE 82 1HD PHE 82 12.071 -5.383 -4.619 614 HD2 PHE 82 2HD PHE 82 12.534 -4.430 -0.497 615 HE1 PHE 82 1HE PHE 82 14.235 -4.321 -5.112 616 HE2 PHE 82 2HE PHE 82 14.699 -3.365 -0.983 617 HZ PHE 82 HZ PHE 82 15.551 -3.309 -3.293 618 H GLY 83 H GLY 83 12.825 -7.741 -4.005 619 HA2 GLY 83 1HA GLY 83 14.664 -9.038 -3.554 620 HA3 GLY 83 2HA GLY 83 14.514 -8.446 -1.906 621 H ASP 84 H ASP 84 14.282 -9.960 -0.414 622 HA ASP 84 HA ASP 84 13.103 -12.539 -1.213 623 HB2 ASP 84 1HB ASP 84 15.411 -11.856 0.556 624 HB3 ASP 84 2HB ASP 84 14.460 -13.289 0.932 625 H GLN 85 H GLN 85 13.000 -9.892 1.000 626 HA GLN 85 HA GLN 85 11.213 -11.273 2.835 627 HB2 GLN 85 1HB GLN 85 12.320 -8.462 2.828 628 HB3 GLN 85 2HB GLN 85 11.236 -9.090 4.062 629 HG2 GLN 85 1HG GLN 85 13.448 -9.213 4.909 630 HG3 GLN 85 2HG GLN 85 12.921 -10.856 4.547 631 HE21 GLN 85 1HE2 GLN 85 14.747 -11.882 4.058 632 HE22 GLN 85 2HE2 GLN 85 15.870 -11.394 2.840 633 H THR 86 H THR 86 9.104 -10.453 3.352 634 HA THR 86 HA THR 86 7.876 -8.672 1.389 635 HB THR 86 HB THR 86 6.856 -11.462 1.952 636 HG1 THR 86 1HG THR 86 7.615 -10.252 -0.513 637 HG21 THR 86 1HG2 THR 86 5.352 -10.342 -0.096 638 HG22 THR 86 2HG2 THR 86 5.481 -9.053 1.101 639 HG23 THR 86 3HG2 THR 86 4.822 -10.622 1.562 640 H THR 87 H THR 87 6.578 -7.262 2.363 641 HA THR 87 HA THR 87 5.766 -7.788 5.130 642 HB THR 87 HB THR 87 7.015 -5.686 4.628 643 HG1 THR 87 1HG THR 87 4.354 -5.161 5.490 644 HG21 THR 87 1HG2 THR 87 5.809 -5.384 2.385 645 HG22 THR 87 2HG2 THR 87 6.085 -3.941 3.360 646 HG23 THR 87 3HG2 THR 87 4.491 -4.695 3.331 647 H SER 88 H SER 88 3.625 -7.359 5.835 648 HA SER 88 HA SER 88 1.586 -7.110 3.746 649 HB2 SER 88 1HB SER 88 0.316 -8.988 4.579 650 HB3 SER 88 2HB SER 88 1.954 -9.542 4.231 651 HG SER 88 HG SER 88 2.261 -9.927 6.283 652 H ALA 89 H ALA 89 -0.151 -5.923 4.329 653 HA ALA 89 HA ALA 89 -0.565 -5.313 7.166 654 HB1 ALA 89 1HB ALA 89 -1.026 -2.879 6.270 655 HB2 ALA 89 2HB ALA 89 0.600 -3.399 6.714 656 HB3 ALA 89 3HB ALA 89 0.116 -3.371 5.018 657 H THR 90 H THR 90 -2.664 -4.127 7.505 658 HA THR 90 HA THR 90 -4.665 -4.906 5.489 659 HB THR 90 HB THR 90 -5.010 -5.139 8.485 660 HG1 THR 90 1HG THR 90 -3.687 -6.799 7.628 661 HG21 THR 90 1HG2 THR 90 -6.960 -4.703 6.630 662 HG22 THR 90 2HG2 THR 90 -7.199 -5.555 8.156 663 HG23 THR 90 3HG2 THR 90 -6.903 -6.465 6.674 664 H LEU 91 H LEU 91 -6.188 -3.416 5.015 665 HA LEU 91 HA LEU 91 -5.989 -0.833 6.383 666 HB2 LEU 91 1HB LEU 91 -5.672 -0.781 3.986 667 HB3 LEU 91 2HB LEU 91 -7.213 -1.600 3.738 668 HG LEU 91 HG LEU 91 -8.230 0.480 4.899 669 HD11 LEU 91 1HD1 LEU 91 -6.060 1.392 5.640 670 HD12 LEU 91 2HD1 LEU 91 -6.974 2.522 4.642 671 HD13 LEU 91 3HD1 LEU 91 -5.614 1.638 3.951 672 HD21 LEU 91 1HD2 LEU 91 -8.947 0.526 2.785 673 HD22 LEU 91 2HD2 LEU 91 -7.396 -0.028 2.153 674 HD23 LEU 91 3HD2 LEU 91 -7.647 1.683 2.501 675 H THR 92 H THR 92 -7.528 -0.170 7.722 676 HA THR 92 HA THR 92 -10.001 -1.716 7.906 677 HB THR 92 HB THR 92 -8.784 0.328 9.770 678 HG1 THR 92 1HG THR 92 -8.143 -2.099 9.506 679 HG21 THR 92 1HG2 THR 92 -10.812 0.622 10.649 680 HG22 THR 92 2HG2 THR 92 -10.831 -1.090 11.070 681 HG23 THR 92 3HG2 THR 92 -11.511 -0.552 9.535 682 H VAL 93 H VAL 93 -11.543 -1.012 6.561 683 HA VAL 93 HA VAL 93 -11.874 1.861 6.114 684 HB VAL 93 HB VAL 93 -13.242 -0.463 4.750 685 HG11 VAL 93 1HG1 VAL 93 -13.189 2.046 3.314 686 HG12 VAL 93 2HG1 VAL 93 -14.555 0.999 3.703 687 HG13 VAL 93 3HG1 VAL 93 -14.007 2.207 4.867 688 HG21 VAL 93 1HG2 VAL 93 -10.969 1.286 3.811 689 HG22 VAL 93 2HG2 VAL 93 -10.843 -0.407 4.291 690 HG23 VAL 93 3HG2 VAL 93 -11.772 0.037 2.859 691 H THR 94 H THR 94 -13.268 2.951 7.316 692 HA THR 94 HA THR 94 -15.271 1.566 8.884 693 HB THR 94 HB THR 94 -14.907 4.554 8.747 694 HG1 THR 94 1HG THR 94 -13.429 4.216 10.534 695 HG21 THR 94 1HG2 THR 94 -15.921 2.663 10.871 696 HG22 THR 94 2HG2 THR 94 -16.869 3.827 9.946 697 HG23 THR 94 3HG2 THR 94 -15.670 4.391 11.109 698 H ALA 95 H ALA 95 -17.317 1.290 8.297 699 HA ALA 95 HA ALA 95 -18.304 2.360 5.830 700 HB1 ALA 95 1HB ALA 95 -20.226 1.109 7.676 701 HB2 ALA 95 2HB ALA 95 -19.905 0.781 5.973 702 HB3 ALA 95 3HB ALA 95 -18.847 0.110 7.214 703 H LEU 96 H LEU 96 -19.131 4.321 5.588 704 HA LEU 96 HA LEU 96 -19.525 6.289 7.350 705 HB2 LEU 96 1HB LEU 96 -20.941 5.572 4.845 706 HB3 LEU 96 2HB LEU 96 -21.641 6.851 5.835 707 HG LEU 96 HG LEU 96 -18.778 6.929 4.921 708 HD11 LEU 96 1HD1 LEU 96 -20.340 6.711 2.980 709 HD12 LEU 96 2HD1 LEU 96 -19.417 8.213 3.020 710 HD13 LEU 96 3HD1 LEU 96 -21.111 8.206 3.510 711 HD21 LEU 96 1HD2 LEU 96 -20.742 8.935 5.999 712 HD22 LEU 96 2HD2 LEU 96 -19.246 9.404 5.189 713 HD23 LEU 96 3HD2 LEU 96 -19.185 8.453 6.675 714 HA PRO 97 HA PRO 97 -22.682 5.190 10.210 715 HB2 PRO 97 1HB PRO 97 -23.479 7.671 10.971 716 HB3 PRO 97 2HB PRO 97 -21.944 6.957 11.480 717 HG2 PRO 97 1HG PRO 97 -22.484 8.925 9.289 718 HG3 PRO 97 2HG PRO 97 -21.171 8.910 10.482 719 HD2 PRO 97 1HD PRO 97 -20.835 8.055 7.935 720 HD3 PRO 97 2HD PRO 97 -19.949 7.352 9.303 721 H SER 98 H SER 98 -25.020 5.874 10.766 722 HA SER 98 HA SER 98 -26.536 5.770 8.294 723 HB2 SER 98 1HB SER 98 -27.139 5.271 11.182 724 HB3 SER 98 2HB SER 98 -28.473 5.619 10.082 725 HG SER 98 HG SER 98 -27.312 3.892 8.746 726 H GLY 99 H GLY 99 -26.563 7.757 11.258 727 HA2 GLY 99 1HA GLY 99 -26.571 10.250 10.385 728 HA3 GLY 99 2HA GLY 99 -28.184 9.764 9.886 729 HA PRO 100 HA PRO 100 -29.772 10.810 13.832 730 HB2 PRO 100 1HB PRO 100 -31.711 8.941 14.173 731 HB3 PRO 100 2HB PRO 100 -31.854 10.274 13.021 732 HG2 PRO 100 1HG PRO 100 -31.076 7.425 12.534 733 HG3 PRO 100 2HG PRO 100 -32.156 8.467 11.589 734 HD2 PRO 100 1HD PRO 100 -29.591 7.989 10.864 735 HD3 PRO 100 2HD PRO 100 -30.408 9.529 10.526 736 H SER 101 H SER 101 -29.165 10.478 15.883 737 HA SER 101 HA SER 101 -28.520 7.746 16.752 738 HB2 SER 101 1HB SER 101 -26.449 9.081 16.118 739 HB3 SER 101 2HB SER 101 -26.818 10.131 17.487 740 HG SER 101 HG SER 101 -25.371 8.104 17.688 741 H SER 102 H SER 102 -28.019 7.875 19.260 742 HA SER 102 HA SER 102 -29.950 9.679 20.542 743 HB2 SER 102 1HB SER 102 -30.796 7.249 20.072 744 HB3 SER 102 2HB SER 102 -29.761 6.818 21.433 745 HG SER 102 HG SER 102 -31.729 8.855 21.548 746 H GLY 103 H GLY 103 -28.528 10.920 21.646 747 HA2 GLY 103 1HA GLY 103 -27.057 9.622 23.803 748 HA3 GLY 103 2HA GLY 103 -26.097 10.533 22.646 Start of MODEL 19 1 H1 GLY 1 H GLY 1 29.440 1.844 12.403 2 HA2 GLY 1 1HA GLY 1 31.117 0.725 14.534 3 HA3 GLY 1 2HA GLY 1 30.366 -0.385 13.397 4 H SER 2 H SER 2 33.130 -0.217 13.746 5 HA SER 2 HA SER 2 34.349 1.456 11.793 6 HB2 SER 2 1HB SER 2 35.485 0.424 13.817 7 HB3 SER 2 2HB SER 2 35.506 -1.096 12.923 8 HG SER 2 HG SER 2 37.079 -0.365 11.727 9 H SER 3 H SER 3 33.642 -2.034 11.864 10 HA SER 3 HA SER 3 33.586 -1.991 8.924 11 HB2 SER 3 1HB SER 3 34.716 -4.143 8.834 12 HB3 SER 3 2HB SER 3 35.719 -2.994 9.720 13 HG SER 3 HG SER 3 35.545 -5.055 10.755 14 H GLY 4 H GLY 4 32.162 -3.470 7.938 15 HA2 GLY 4 1HA GLY 4 30.585 -5.312 9.442 16 HA3 GLY 4 2HA GLY 4 29.698 -3.828 9.127 17 H SER 5 H SER 5 29.267 -6.599 8.172 18 HA SER 5 HA SER 5 29.829 -6.465 5.330 19 HB2 SER 5 1HB SER 5 28.714 -8.519 7.189 20 HB3 SER 5 2HB SER 5 28.318 -8.643 5.475 21 HG SER 5 HG SER 5 30.893 -8.621 6.660 22 H SER 6 H SER 6 28.097 -6.775 3.737 23 HA SER 6 HA SER 6 25.671 -5.304 4.529 24 HB2 SER 6 1HB SER 6 27.216 -5.387 1.945 25 HB3 SER 6 2HB SER 6 25.539 -4.844 1.991 26 HG SER 6 HG SER 6 27.341 -3.745 3.824 27 H GLY 7 H GLY 7 23.673 -5.880 3.414 28 HA2 GLY 7 1HA GLY 7 23.617 -8.587 2.288 29 HA3 GLY 7 2HA GLY 7 22.646 -8.266 3.717 30 HA PRO 8 HA PRO 8 19.942 -7.486 0.073 31 HB2 PRO 8 1HB PRO 8 17.734 -8.590 1.203 32 HB3 PRO 8 2HB PRO 8 18.949 -9.541 0.340 33 HG2 PRO 8 1HG PRO 8 18.602 -9.137 3.285 34 HG3 PRO 8 2HG PRO 8 18.971 -10.626 2.396 35 HD2 PRO 8 1HD PRO 8 20.871 -9.188 3.683 36 HD3 PRO 8 2HD PRO 8 21.207 -10.103 2.199 37 H VAL 9 H VAL 9 17.566 -6.564 0.227 38 HA VAL 9 HA VAL 9 17.767 -4.163 1.831 39 HB VAL 9 HB VAL 9 15.592 -5.004 -0.090 40 HG11 VAL 9 1HG1 VAL 9 14.620 -2.964 0.169 41 HG12 VAL 9 2HG1 VAL 9 15.312 -3.137 1.784 42 HG13 VAL 9 3HG1 VAL 9 16.142 -2.166 0.567 43 HG21 VAL 9 1HG2 VAL 9 17.879 -4.783 -1.085 44 HG22 VAL 9 2HG2 VAL 9 16.679 -3.673 -1.747 45 HG23 VAL 9 3HG2 VAL 9 17.868 -3.092 -0.582 46 H ARG 10 H ARG 10 17.228 -4.370 3.917 47 HA ARG 10 HA ARG 10 15.222 -6.207 4.825 48 HB2 ARG 10 1HB ARG 10 16.529 -3.966 6.374 49 HB3 ARG 10 2HB ARG 10 15.713 -5.376 7.035 50 HG2 ARG 10 1HG ARG 10 17.482 -6.770 5.878 51 HG3 ARG 10 2HG ARG 10 18.348 -5.257 5.604 52 HD2 ARG 10 1HD ARG 10 17.400 -5.883 8.356 53 HD3 ARG 10 2HD ARG 10 18.808 -6.743 7.735 54 HE ARG 10 HE ARG 10 20.026 -4.795 7.861 55 HH11 ARG 10 2HH1 ARG 10 16.645 -4.104 8.319 56 HH12 ARG 10 1HH1 ARG 10 16.914 -2.469 8.825 57 HH21 ARG 10 2HH2 ARG 10 20.393 -2.645 8.527 58 HH22 ARG 10 1HH2 ARG 10 19.046 -1.640 8.942 59 H PHE 11 H PHE 11 13.737 -5.030 6.680 60 HA PHE 11 HA PHE 11 12.287 -2.880 5.284 61 HB2 PHE 11 1HB PHE 11 11.300 -5.448 6.418 62 HB3 PHE 11 2HB PHE 11 10.274 -4.031 6.614 63 HD1 PHE 11 2HD PHE 11 9.927 -2.624 4.408 64 HD2 PHE 11 1HD PHE 11 11.049 -6.727 4.531 65 HE1 PHE 11 2HE PHE 11 9.079 -2.921 2.118 66 HE2 PHE 11 1HE PHE 11 10.204 -7.031 2.241 67 HZ PHE 11 HZ PHE 11 9.216 -5.127 1.031 68 H GLN 12 H GLN 12 13.319 -1.310 6.566 69 HA GLN 12 HA GLN 12 13.444 -1.364 9.375 70 HB2 GLN 12 1HB GLN 12 14.742 0.146 7.809 71 HB3 GLN 12 2HB GLN 12 13.286 1.123 7.674 72 HG2 GLN 12 1HG GLN 12 14.608 2.182 9.289 73 HG3 GLN 12 2HG GLN 12 13.354 1.333 10.192 74 HE21 GLN 12 1HE2 GLN 12 14.555 1.236 12.067 75 HE22 GLN 12 2HE2 GLN 12 15.937 0.214 12.238 76 H GLU 13 H GLU 13 11.175 0.344 7.218 77 HA GLU 13 HA GLU 13 9.186 0.238 9.380 78 HB2 GLU 13 1HB GLU 13 10.373 2.537 8.936 79 HB3 GLU 13 2HB GLU 13 9.288 2.607 7.554 80 HG2 GLU 13 1HG GLU 13 8.086 3.723 9.156 81 HG3 GLU 13 2HG GLU 13 7.443 2.088 9.298 82 H ALA 14 H ALA 14 8.553 -1.669 8.083 83 HA ALA 14 HA ALA 14 7.587 -1.440 5.442 84 HB1 ALA 14 1HB ALA 14 7.806 -3.480 7.414 85 HB2 ALA 14 2HB ALA 14 6.166 -3.497 6.766 86 HB3 ALA 14 3HB ALA 14 7.546 -3.644 5.678 87 H LEU 15 H LEU 15 5.150 -2.174 5.075 88 HA LEU 15 HA LEU 15 3.546 0.035 5.598 89 HB2 LEU 15 1HB LEU 15 2.685 -2.785 4.970 90 HB3 LEU 15 2HB LEU 15 1.669 -1.351 4.835 91 HG LEU 15 HG LEU 15 4.144 -1.898 3.197 92 HD11 LEU 15 1HD1 LEU 15 1.217 -2.262 2.647 93 HD12 LEU 15 2HD1 LEU 15 2.534 -3.416 2.437 94 HD13 LEU 15 3HD1 LEU 15 2.390 -2.035 1.349 95 HD21 LEU 15 1HD2 LEU 15 4.058 0.217 2.535 96 HD22 LEU 15 2HD2 LEU 15 2.834 0.517 3.770 97 HD23 LEU 15 3HD2 LEU 15 2.346 0.067 2.135 98 H LYS 16 H LYS 16 1.807 0.399 6.995 99 HA LYS 16 HA LYS 16 1.578 -1.426 9.289 100 HB2 LYS 16 1HB LYS 16 1.895 1.576 9.376 101 HB3 LYS 16 2HB LYS 16 1.350 0.619 10.747 102 HG2 LYS 16 1HG LYS 16 3.887 -0.184 9.444 103 HG3 LYS 16 2HG LYS 16 3.888 1.298 10.404 104 HD2 LYS 16 1HD LYS 16 4.349 -0.156 12.081 105 HD3 LYS 16 2HD LYS 16 2.591 -0.320 12.101 106 HE2 LYS 16 1HE LYS 16 3.150 -2.522 11.998 107 HE3 LYS 16 2HE LYS 16 3.127 -2.167 10.272 108 HZ1 LYS 16 1HZ LYS 16 5.182 -3.308 11.543 109 HZ2 LYS 16 2HZ LYS 16 5.658 -1.686 11.590 110 HZ3 LYS 16 3HZ LYS 16 5.333 -2.429 10.105 111 H ASP 17 H ASP 17 -0.440 -1.407 10.363 112 HA ASP 17 HA ASP 17 -2.699 -1.429 8.872 113 HB2 ASP 17 1HB ASP 17 -2.337 -2.069 11.358 114 HB3 ASP 17 2HB ASP 17 -2.837 -0.414 11.699 115 H LEU 18 H LEU 18 -4.518 -0.015 8.623 116 HA LEU 18 HA LEU 18 -3.958 2.839 8.998 117 HB2 LEU 18 1HB LEU 18 -4.452 1.401 6.451 118 HB3 LEU 18 2HB LEU 18 -5.208 2.980 6.652 119 HG LEU 18 HG LEU 18 -2.246 2.472 6.901 120 HD11 LEU 18 1HD1 LEU 18 -3.640 3.787 4.590 121 HD12 LEU 18 2HD1 LEU 18 -3.268 2.063 4.611 122 HD13 LEU 18 3HD1 LEU 18 -1.964 3.247 4.704 123 HD21 LEU 18 1HD2 LEU 18 -3.856 4.629 7.703 124 HD22 LEU 18 2HD2 LEU 18 -3.025 5.149 6.236 125 HD23 LEU 18 3HD2 LEU 18 -2.095 4.567 7.617 126 H GLU 19 H GLU 19 -5.804 4.173 9.140 127 HA GLU 19 HA GLU 19 -8.364 2.745 9.409 128 HB2 GLU 19 1HB GLU 19 -7.465 3.157 11.642 129 HB3 GLU 19 2HB GLU 19 -7.269 4.863 11.267 130 HG2 GLU 19 1HG GLU 19 -9.964 3.597 11.074 131 HG3 GLU 19 2HG GLU 19 -9.314 4.064 12.645 132 H VAL 20 H VAL 20 -9.960 3.605 8.258 133 HA VAL 20 HA VAL 20 -10.167 6.453 7.839 134 HB VAL 20 HB VAL 20 -8.680 6.035 6.028 135 HG11 VAL 20 1HG1 VAL 20 -9.792 4.256 4.280 136 HG12 VAL 20 2HG1 VAL 20 -8.489 3.888 5.412 137 HG13 VAL 20 3HG1 VAL 20 -10.160 3.518 5.839 138 HG21 VAL 20 1HG2 VAL 20 -9.989 6.695 4.138 139 HG22 VAL 20 2HG2 VAL 20 -11.452 6.005 4.842 140 HG23 VAL 20 3HG2 VAL 20 -10.707 7.426 5.574 141 H LEU 21 H LEU 21 -12.169 7.048 6.727 142 HA LEU 21 HA LEU 21 -14.248 5.011 7.151 143 HB2 LEU 21 1HB LEU 21 -14.208 7.270 8.406 144 HB3 LEU 21 2HB LEU 21 -14.766 7.949 6.879 145 HG LEU 21 HG LEU 21 -16.604 6.042 7.154 146 HD11 LEU 21 1HD1 LEU 21 -17.119 5.433 9.303 147 HD12 LEU 21 2HD1 LEU 21 -16.297 6.821 10.013 148 HD13 LEU 21 3HD1 LEU 21 -15.358 5.467 9.386 149 HD21 LEU 21 1HD2 LEU 21 -16.844 8.575 8.751 150 HD22 LEU 21 2HD2 LEU 21 -18.095 7.716 7.853 151 HD23 LEU 21 3HD2 LEU 21 -16.820 8.575 6.988 152 H GLU 22 H GLU 22 -15.469 4.326 5.501 153 HA GLU 22 HA GLU 22 -14.849 4.465 2.894 154 HB2 GLU 22 1HB GLU 22 -16.577 3.000 3.299 155 HB3 GLU 22 2HB GLU 22 -17.465 4.152 4.287 156 HG2 GLU 22 1HG GLU 22 -18.683 3.773 2.271 157 HG3 GLU 22 2HG GLU 22 -18.030 5.410 2.233 158 H GLY 23 H GLY 23 -14.715 5.965 1.359 159 HA2 GLY 23 1HA GLY 23 -15.825 7.750 0.117 160 HA3 GLY 23 2HA GLY 23 -16.337 8.415 1.661 161 H GLY 24 H GLY 24 -13.132 7.212 0.743 162 HA2 GLY 24 1HA GLY 24 -12.060 9.881 0.485 163 HA3 GLY 24 2HA GLY 24 -11.589 9.070 1.971 164 H ALA 25 H ALA 25 -9.429 8.880 1.510 165 HA ALA 25 HA ALA 25 -8.767 6.889 -0.535 166 HB1 ALA 25 1HB ALA 25 -6.805 8.208 -1.241 167 HB2 ALA 25 2HB ALA 25 -8.333 9.011 -1.605 168 HB3 ALA 25 3HB ALA 25 -7.364 9.540 -0.229 169 H ALA 26 H ALA 26 -6.800 5.754 -0.154 170 HA ALA 26 HA ALA 26 -5.831 5.976 2.622 171 HB1 ALA 26 1HB ALA 26 -5.377 3.532 2.490 172 HB2 ALA 26 2HB ALA 26 -7.088 3.949 2.391 173 HB3 ALA 26 3HB ALA 26 -6.201 3.509 0.931 174 H THR 27 H THR 27 -3.713 6.275 2.913 175 HA THR 27 HA THR 27 -1.918 5.836 0.615 176 HB THR 27 HB THR 27 -1.613 8.013 2.691 177 HG1 THR 27 1HG THR 27 -3.082 8.976 1.505 178 HG21 THR 27 1HG2 THR 27 -0.225 8.538 0.275 179 HG22 THR 27 2HG2 THR 27 0.172 6.892 0.770 180 HG23 THR 27 3HG2 THR 27 0.447 8.237 1.877 181 H LEU 28 H LEU 28 -0.258 4.514 0.973 182 HA LEU 28 HA LEU 28 0.382 3.813 3.758 183 HB2 LEU 28 1HB LEU 28 0.870 2.237 1.235 184 HB3 LEU 28 2HB LEU 28 1.256 1.711 2.872 185 HG LEU 28 HG LEU 28 -1.294 1.985 3.288 186 HD11 LEU 28 1HD1 LEU 28 -1.084 2.522 0.457 187 HD12 LEU 28 2HD1 LEU 28 -2.463 2.704 1.541 188 HD13 LEU 28 3HD1 LEU 28 -2.140 1.147 0.780 189 HD21 LEU 28 1HD2 LEU 28 -0.740 -0.301 1.481 190 HD22 LEU 28 2HD2 LEU 28 -1.487 -0.272 3.078 191 HD23 LEU 28 3HD2 LEU 28 0.265 -0.132 2.920 192 H ARG 29 H ARG 29 2.377 4.154 4.536 193 HA ARG 29 HA ARG 29 4.481 4.949 2.634 194 HB2 ARG 29 1HB ARG 29 3.533 6.265 5.128 195 HB3 ARG 29 2HB ARG 29 5.261 6.293 4.804 196 HG2 ARG 29 1HG ARG 29 4.760 7.278 2.573 197 HG3 ARG 29 2HG ARG 29 3.066 7.383 3.059 198 HD2 ARG 29 1HD ARG 29 5.242 8.589 4.733 199 HD3 ARG 29 2HD ARG 29 4.567 9.456 3.354 200 HE ARG 29 HE ARG 29 2.608 9.768 4.533 201 HH11 ARG 29 2HH1 ARG 29 4.694 7.560 6.233 202 HH12 ARG 29 1HH1 ARG 29 3.758 7.592 7.690 203 HH21 ARG 29 2HH2 ARG 29 1.367 9.819 6.446 204 HH22 ARG 29 1HH2 ARG 29 1.865 8.877 7.810 205 H CYS 30 H CYS 30 6.381 3.925 2.820 206 HA CYS 30 HA CYS 30 7.148 2.658 5.316 207 HB2 CYS 30 1HB CYS 30 7.496 0.454 4.291 208 HB3 CYS 30 2HB CYS 30 5.802 0.923 4.233 209 HG CYS 30 HG CYS 30 5.910 1.689 1.521 210 H VAL 31 H VAL 31 9.290 2.750 5.615 211 HA VAL 31 HA VAL 31 10.939 3.640 3.352 212 HB VAL 31 HB VAL 31 11.567 3.778 6.305 213 HG11 VAL 31 1HG1 VAL 31 13.647 4.194 5.646 214 HG12 VAL 31 2HG1 VAL 31 13.169 4.134 3.948 215 HG13 VAL 31 3HG1 VAL 31 13.058 5.649 4.844 216 HG21 VAL 31 1HG2 VAL 31 10.524 5.878 4.410 217 HG22 VAL 31 2HG2 VAL 31 9.712 5.230 5.835 218 HG23 VAL 31 3HG2 VAL 31 11.162 6.217 6.019 219 H LEU 32 H LEU 32 12.656 2.490 2.650 220 HA LEU 32 HA LEU 32 13.018 -0.177 3.786 221 HB2 LEU 32 1HB LEU 32 14.184 0.959 1.253 222 HB3 LEU 32 2HB LEU 32 14.146 -0.734 1.739 223 HG LEU 32 HG LEU 32 11.662 0.871 1.170 224 HD11 LEU 32 1HD1 LEU 32 13.592 -0.364 -0.663 225 HD12 LEU 32 2HD1 LEU 32 12.376 0.880 -0.956 226 HD13 LEU 32 3HD1 LEU 32 11.910 -0.821 -0.932 227 HD21 LEU 32 1HD2 LEU 32 10.720 -1.421 0.849 228 HD22 LEU 32 2HD2 LEU 32 11.222 -1.061 2.501 229 HD23 LEU 32 3HD2 LEU 32 12.237 -2.071 1.471 230 H SER 33 H SER 33 15.016 -0.984 4.430 231 HA SER 33 HA SER 33 16.675 0.584 5.920 232 HB2 SER 33 1HB SER 33 16.585 -2.005 5.657 233 HB3 SER 33 2HB SER 33 17.828 -1.759 4.431 234 HG SER 33 HG SER 33 18.108 -0.580 6.966 235 H SER 34 H SER 34 16.794 0.047 2.470 236 HA SER 34 HA SER 34 18.810 2.157 2.252 237 HB2 SER 34 1HB SER 34 19.019 -0.603 1.053 238 HB3 SER 34 2HB SER 34 19.898 0.774 0.388 239 HG SER 34 HG SER 34 21.228 -0.221 1.861 240 H VAL 35 H VAL 35 19.097 2.704 -0.195 241 HA VAL 35 HA VAL 35 16.441 3.279 -1.199 242 HB VAL 35 HB VAL 35 19.153 4.085 -2.260 243 HG11 VAL 35 1HG1 VAL 35 17.628 4.128 -4.080 244 HG12 VAL 35 2HG1 VAL 35 16.368 4.870 -3.093 245 HG13 VAL 35 3HG1 VAL 35 17.808 5.792 -3.526 246 HG21 VAL 35 1HG2 VAL 35 18.011 4.934 0.035 247 HG22 VAL 35 2HG2 VAL 35 19.070 5.930 -0.964 248 HG23 VAL 35 3HG2 VAL 35 17.319 6.083 -1.111 249 H ALA 36 H ALA 36 15.591 1.413 -2.040 250 HA ALA 36 HA ALA 36 16.915 0.395 -4.459 251 HB1 ALA 36 1HB ALA 36 15.503 -1.770 -3.390 252 HB2 ALA 36 2HB ALA 36 17.253 -1.574 -3.489 253 HB3 ALA 36 3HB ALA 36 16.390 -1.064 -2.038 254 H ALA 37 H ALA 37 15.629 0.312 -6.191 255 HA ALA 37 HA ALA 37 12.890 -0.342 -6.157 256 HB1 ALA 37 1HB ALA 37 11.883 1.575 -5.687 257 HB2 ALA 37 2HB ALA 37 13.446 2.370 -5.498 258 HB3 ALA 37 3HB ALA 37 12.667 2.322 -7.079 259 HA PRO 38 HA PRO 38 11.121 0.907 -7.581 260 HB2 PRO 38 1HB PRO 38 9.618 -0.573 -9.289 261 HB3 PRO 38 2HB PRO 38 10.155 1.070 -9.659 262 HG2 PRO 38 1HG PRO 38 11.311 -1.546 -10.545 263 HG3 PRO 38 2HG PRO 38 11.039 -0.067 -11.485 264 HD2 PRO 38 1HD PRO 38 13.471 -0.744 -10.505 265 HD3 PRO 38 2HD PRO 38 12.950 0.943 -10.684 266 H VAL 39 H VAL 39 9.250 -0.700 -7.017 267 HA VAL 39 HA VAL 39 10.443 -3.235 -6.099 268 HB VAL 39 HB VAL 39 9.053 -3.111 -4.088 269 HG11 VAL 39 1HG1 VAL 39 10.723 -0.629 -4.478 270 HG12 VAL 39 2HG1 VAL 39 10.276 -1.354 -2.932 271 HG13 VAL 39 3HG1 VAL 39 11.339 -2.222 -4.040 272 HG21 VAL 39 1HG2 VAL 39 8.335 -0.310 -4.931 273 HG22 VAL 39 2HG2 VAL 39 7.269 -1.699 -5.146 274 HG23 VAL 39 3HG2 VAL 39 7.748 -1.198 -3.524 275 H LYS 40 H LYS 40 8.577 -4.765 -5.338 276 HA LYS 40 HA LYS 40 6.572 -4.801 -7.494 277 HB2 LYS 40 1HB LYS 40 8.162 -6.673 -7.561 278 HB3 LYS 40 2HB LYS 40 7.725 -7.108 -5.914 279 HG2 LYS 40 1HG LYS 40 6.494 -8.598 -7.166 280 HG3 LYS 40 2HG LYS 40 5.325 -7.311 -6.861 281 HD2 LYS 40 1HD LYS 40 5.342 -6.595 -9.034 282 HD3 LYS 40 2HD LYS 40 7.003 -7.123 -9.309 283 HE2 LYS 40 1HE LYS 40 5.226 -8.434 -10.522 284 HE3 LYS 40 2HE LYS 40 6.341 -9.385 -9.543 285 HZ1 LYS 40 1HZ LYS 40 4.725 -9.706 -7.900 286 HZ2 LYS 40 2HZ LYS 40 3.898 -9.943 -9.357 287 HZ3 LYS 40 3HZ LYS 40 3.717 -8.491 -8.509 288 H TRP 41 H TRP 41 4.533 -4.474 -6.923 289 HA TRP 41 HA TRP 41 3.797 -4.736 -4.097 290 HB2 TRP 41 1HB TRP 41 2.696 -3.157 -6.397 291 HB3 TRP 41 2HB TRP 41 1.673 -3.511 -5.008 292 HD1 TRP 41 HD TRP 41 4.799 -1.523 -5.991 293 HE1 TRP 41 1HE TRP 41 5.256 0.237 -4.168 294 HE3 TRP 41 3HE TRP 41 1.310 -2.990 -2.554 295 HZ2 TRP 41 2HZ TRP 41 4.268 0.912 -1.612 296 HZ3 TRP 41 3HZ TRP 41 1.131 -1.734 -0.445 297 HH2 TRP 41 HH TRP 41 2.581 0.176 0.014 298 H CYS 42 H CYS 42 1.662 -5.620 -3.574 299 HA CYS 42 HA CYS 42 0.438 -7.372 -5.531 300 HB2 CYS 42 1HB CYS 42 2.291 -8.729 -4.597 301 HB3 CYS 42 2HB CYS 42 1.619 -8.505 -2.987 302 HG CYS 42 HG CYS 42 -0.732 -9.910 -3.514 303 H TYR 43 H TYR 43 -1.675 -7.123 -5.301 304 HA TYR 43 HA TYR 43 -2.855 -7.069 -2.638 305 HB2 TYR 43 1HB TYR 43 -2.698 -4.755 -2.858 306 HB3 TYR 43 2HB TYR 43 -2.963 -4.801 -4.598 307 HD1 TYR 43 2HD TYR 43 -4.897 -6.103 -1.671 308 HD2 TYR 43 1HD TYR 43 -4.881 -3.650 -5.148 309 HE1 TYR 43 2HE TYR 43 -7.277 -5.595 -1.316 310 HE2 TYR 43 1HE TYR 43 -7.261 -3.134 -4.801 311 HH TYR 43 HH TYR 43 -9.071 -3.525 -3.577 312 H GLY 44 H GLY 44 -4.263 -8.691 -2.742 313 HA2 GLY 44 1HA GLY 44 -5.700 -10.249 -3.705 314 HA3 GLY 44 2HA GLY 44 -6.635 -8.785 -3.966 315 H ASN 45 H ASN 45 -3.594 -9.628 -5.541 316 HA ASN 45 HA ASN 45 -4.742 -10.629 -7.926 317 HB2 ASN 45 1HB ASN 45 -5.334 -8.099 -7.916 318 HB3 ASN 45 2HB ASN 45 -3.631 -7.861 -8.298 319 HD21 ASN 45 1HD2 ASN 45 -3.357 -7.518 -10.370 320 HD22 ASN 45 2HD2 ASN 45 -4.197 -8.306 -11.658 321 H ASN 46 H ASN 46 -3.001 -10.339 -9.805 322 HA ASN 46 HA ASN 46 -0.638 -11.592 -8.834 323 HB2 ASN 46 1HB ASN 46 0.076 -11.183 -11.322 324 HB3 ASN 46 2HB ASN 46 -1.208 -12.332 -10.957 325 HD21 ASN 46 1HD2 ASN 46 -3.317 -11.841 -11.492 326 HD22 ASN 46 2HD2 ASN 46 -3.728 -10.534 -12.544 327 H VAL 47 H VAL 47 -1.004 -8.579 -10.713 328 HA VAL 47 HA VAL 47 1.046 -7.324 -9.051 329 HB VAL 47 HB VAL 47 2.202 -8.352 -11.021 330 HG11 VAL 47 1HG1 VAL 47 0.344 -8.011 -12.624 331 HG12 VAL 47 2HG1 VAL 47 0.689 -6.280 -12.607 332 HG13 VAL 47 3HG1 VAL 47 1.893 -7.415 -13.219 333 HG21 VAL 47 1HG2 VAL 47 2.216 -5.413 -10.482 334 HG22 VAL 47 2HG2 VAL 47 3.420 -6.633 -10.070 335 HG23 VAL 47 3HG2 VAL 47 3.258 -6.082 -11.737 336 H LEU 48 H LEU 48 0.796 -5.149 -8.811 337 HA LEU 48 HA LEU 48 -1.670 -4.013 -9.846 338 HB2 LEU 48 1HB LEU 48 0.318 -3.173 -7.765 339 HB3 LEU 48 2HB LEU 48 -0.911 -2.056 -8.355 340 HG LEU 48 HG LEU 48 -1.585 -4.726 -7.138 341 HD11 LEU 48 1HD1 LEU 48 -0.437 -2.533 -5.811 342 HD12 LEU 48 2HD1 LEU 48 -1.200 -3.954 -5.098 343 HD13 LEU 48 3HD1 LEU 48 -2.157 -2.508 -5.421 344 HD21 LEU 48 1HD2 LEU 48 -3.782 -3.815 -6.914 345 HD22 LEU 48 2HD2 LEU 48 -3.263 -3.569 -8.582 346 HD23 LEU 48 3HD2 LEU 48 -3.236 -2.223 -7.441 347 H ARG 49 H ARG 49 -1.813 -2.138 -11.074 348 HA ARG 49 HA ARG 49 0.705 -1.218 -12.297 349 HB2 ARG 49 1HB ARG 49 -1.924 -1.902 -13.579 350 HB3 ARG 49 2HB ARG 49 -0.825 -0.761 -14.342 351 HG2 ARG 49 1HG ARG 49 0.881 -2.423 -14.530 352 HG3 ARG 49 2HG ARG 49 -0.056 -3.562 -13.562 353 HD2 ARG 49 1HD ARG 49 -0.143 -4.011 -16.004 354 HD3 ARG 49 2HD ARG 49 -1.724 -3.738 -15.274 355 HE ARG 49 HE ARG 49 -0.929 -1.283 -16.196 356 HH11 ARG 49 2HH1 ARG 49 -1.424 -4.433 -17.594 357 HH12 ARG 49 1HH1 ARG 49 -1.871 -3.816 -19.150 358 HH21 ARG 49 2HH2 ARG 49 -1.515 -0.458 -18.241 359 HH22 ARG 49 1HH2 ARG 49 -1.921 -1.555 -19.517 360 HA PRO 50 HA PRO 50 -0.502 2.829 -11.057 361 HB2 PRO 50 1HB PRO 50 0.948 4.278 -12.837 362 HB3 PRO 50 2HB PRO 50 1.676 3.439 -11.462 363 HG2 PRO 50 1HG PRO 50 1.518 2.594 -14.329 364 HG3 PRO 50 2HG PRO 50 2.885 2.486 -13.205 365 HD2 PRO 50 1HD PRO 50 1.307 0.364 -13.787 366 HD3 PRO 50 2HD PRO 50 2.069 0.580 -12.198 367 H GLY 51 H GLY 51 -1.985 4.390 -11.575 368 HA2 GLY 51 1HA GLY 51 -2.745 5.141 -14.175 369 HA3 GLY 51 2HA GLY 51 -3.843 3.886 -13.618 370 H ASP 52 H ASP 52 -5.641 5.204 -13.523 371 HA ASP 52 HA ASP 52 -5.591 7.672 -12.034 372 HB2 ASP 52 1HB ASP 52 -7.658 6.145 -13.564 373 HB3 ASP 52 2HB ASP 52 -8.183 7.373 -12.414 374 H LYS 53 H LYS 53 -7.020 4.450 -11.604 375 HA LYS 53 HA LYS 53 -8.275 4.948 -9.144 376 HB2 LYS 53 1HB LYS 53 -8.661 2.963 -10.630 377 HB3 LYS 53 2HB LYS 53 -7.123 2.314 -10.076 378 HG2 LYS 53 1HG LYS 53 -8.654 1.227 -8.734 379 HG3 LYS 53 2HG LYS 53 -8.129 2.568 -7.713 380 HD2 LYS 53 1HD LYS 53 -10.119 3.724 -7.988 381 HD3 LYS 53 2HD LYS 53 -10.519 2.880 -9.486 382 HE2 LYS 53 1HE LYS 53 -10.727 0.784 -8.055 383 HE3 LYS 53 2HE LYS 53 -10.693 1.863 -6.662 384 HZ1 LYS 53 1HZ LYS 53 -12.608 2.315 -8.858 385 HZ2 LYS 53 2HZ LYS 53 -12.704 2.813 -7.244 386 HZ3 LYS 53 3HZ LYS 53 -12.949 1.188 -7.643 387 H TYR 54 H TYR 54 -5.043 3.691 -9.892 388 HA TYR 54 HA TYR 54 -4.333 4.032 -7.054 389 HB2 TYR 54 1HB TYR 54 -3.011 2.288 -9.143 390 HB3 TYR 54 2HB TYR 54 -2.517 2.425 -7.459 391 HD1 TYR 54 1HD TYR 54 -4.179 1.697 -5.667 392 HD2 TYR 54 2HD TYR 54 -4.651 0.741 -9.786 393 HE1 TYR 54 1HE TYR 54 -5.722 -0.120 -5.062 394 HE2 TYR 54 2HE TYR 54 -6.196 -1.078 -9.193 395 HH TYR 54 HH TYR 54 -7.718 -1.356 -6.381 396 H SER 55 H SER 55 -1.890 4.475 -6.793 397 HA SER 55 HA SER 55 -0.720 6.104 -8.879 398 HB2 SER 55 1HB SER 55 -1.751 7.277 -6.303 399 HB3 SER 55 2HB SER 55 -0.430 8.033 -7.194 400 HG SER 55 HG SER 55 -2.893 8.487 -7.617 401 H LEU 56 H LEU 56 1.255 5.262 -8.939 402 HA LEU 56 HA LEU 56 2.596 4.598 -6.410 403 HB2 LEU 56 1HB LEU 56 3.074 3.667 -9.233 404 HB3 LEU 56 2HB LEU 56 4.155 3.299 -7.891 405 HG LEU 56 HG LEU 56 2.223 2.151 -6.773 406 HD11 LEU 56 1HD1 LEU 56 0.955 2.671 -9.452 407 HD12 LEU 56 2HD1 LEU 56 0.357 3.136 -7.859 408 HD13 LEU 56 3HD1 LEU 56 0.388 1.436 -8.327 409 HD21 LEU 56 1HD2 LEU 56 3.307 0.385 -7.566 410 HD22 LEU 56 2HD2 LEU 56 3.846 1.294 -8.978 411 HD23 LEU 56 3HD2 LEU 56 2.293 0.457 -9.008 412 H ARG 57 H ARG 57 3.819 6.221 -5.702 413 HA ARG 57 HA ARG 57 5.567 7.583 -7.642 414 HB2 ARG 57 1HB ARG 57 3.595 8.941 -6.667 415 HB3 ARG 57 2HB ARG 57 4.522 8.940 -5.173 416 HG2 ARG 57 1HG ARG 57 6.416 9.962 -6.428 417 HG3 ARG 57 2HG ARG 57 5.343 10.100 -7.823 418 HD2 ARG 57 1HD ARG 57 5.321 12.200 -6.703 419 HD3 ARG 57 2HD ARG 57 3.778 11.413 -6.372 420 HE ARG 57 HE ARG 57 5.465 10.738 -4.289 421 HH11 ARG 57 2HH1 ARG 57 4.107 13.640 -5.651 422 HH12 ARG 57 1HH1 ARG 57 4.093 14.496 -4.145 423 HH21 ARG 57 2HH2 ARG 57 5.452 11.855 -2.300 424 HH22 ARG 57 1HH2 ARG 57 4.859 13.480 -2.240 425 H GLN 58 H GLN 58 7.609 7.060 -7.261 426 HA GLN 58 HA GLN 58 8.432 6.109 -4.650 427 HB2 GLN 58 1HB GLN 58 9.226 4.930 -6.628 428 HB3 GLN 58 2HB GLN 58 9.961 6.405 -7.241 429 HG2 GLN 58 1HG GLN 58 11.793 5.409 -6.349 430 HG3 GLN 58 2HG GLN 58 11.241 6.318 -4.943 431 HE21 GLN 58 1HE2 GLN 58 12.231 4.903 -3.513 432 HE22 GLN 58 2HE2 GLN 58 11.615 3.318 -3.208 433 H GLU 59 H GLU 59 9.744 7.142 -3.230 434 HA GLU 59 HA GLU 59 10.813 9.769 -3.998 435 HB2 GLU 59 1HB GLU 59 8.604 9.789 -2.620 436 HB3 GLU 59 2HB GLU 59 9.637 9.334 -1.272 437 HG2 GLU 59 1HG GLU 59 10.102 11.764 -2.980 438 HG3 GLU 59 2HG GLU 59 9.174 11.778 -1.481 439 H GLY 60 H GLY 60 12.838 8.659 -4.184 440 HA2 GLY 60 1HA GLY 60 14.942 8.214 -3.363 441 HA3 GLY 60 2HA GLY 60 14.376 8.756 -1.790 442 H ALA 61 H ALA 61 13.747 7.273 -0.272 443 HA ALA 61 HA ALA 61 13.967 4.438 -1.048 444 HB1 ALA 61 1HB ALA 61 15.350 3.950 0.682 445 HB2 ALA 61 2HB ALA 61 15.819 5.635 0.448 446 HB3 ALA 61 3HB ALA 61 14.677 5.206 1.721 447 H MET 62 H MET 62 11.577 6.089 -0.865 448 HA MET 62 HA MET 62 10.157 4.523 1.173 449 HB2 MET 62 1HB MET 62 10.560 6.852 1.991 450 HB3 MET 62 2HB MET 62 9.627 7.447 0.625 451 HG2 MET 62 1HG MET 62 8.448 5.467 2.528 452 HG3 MET 62 2HG MET 62 8.482 7.185 2.916 453 HE1 MET 62 1HE MET 62 6.120 8.905 1.450 454 HE2 MET 62 2HE MET 62 7.883 8.903 1.419 455 HE3 MET 62 3HE MET 62 6.975 8.769 -0.087 456 H LEU 63 H LEU 63 8.233 3.697 0.532 457 HA LEU 63 HA LEU 63 7.439 4.224 -2.242 458 HB2 LEU 63 1HB LEU 63 6.906 1.928 -0.375 459 HB3 LEU 63 2HB LEU 63 6.080 2.114 -1.921 460 HG LEU 63 HG LEU 63 7.773 0.604 -2.399 461 HD11 LEU 63 1HD1 LEU 63 9.109 1.663 -3.973 462 HD12 LEU 63 2HD1 LEU 63 9.268 3.126 -3.003 463 HD13 LEU 63 3HD1 LEU 63 7.741 2.763 -3.807 464 HD21 LEU 63 1HD2 LEU 63 8.923 0.875 -0.214 465 HD22 LEU 63 2HD2 LEU 63 9.736 2.300 -0.861 466 HD23 LEU 63 3HD2 LEU 63 10.027 0.715 -1.580 467 H GLU 64 H GLU 64 5.427 4.930 -2.784 468 HA GLU 64 HA GLU 64 3.527 5.415 -0.589 469 HB2 GLU 64 1HB GLU 64 4.764 7.491 -1.302 470 HB3 GLU 64 2HB GLU 64 4.012 7.319 -2.881 471 HG2 GLU 64 1HG GLU 64 2.243 7.346 -0.503 472 HG3 GLU 64 2HG GLU 64 2.994 8.862 -0.996 473 H LEU 65 H LEU 65 1.554 4.642 -0.950 474 HA LEU 65 HA LEU 65 0.680 4.222 -3.725 475 HB2 LEU 65 1HB LEU 65 1.402 2.079 -2.914 476 HB3 LEU 65 2HB LEU 65 0.467 2.279 -1.433 477 HG LEU 65 HG LEU 65 -1.577 2.346 -3.033 478 HD11 LEU 65 1HD1 LEU 65 0.245 0.713 -4.766 479 HD12 LEU 65 2HD1 LEU 65 0.000 2.437 -5.046 480 HD13 LEU 65 3HD1 LEU 65 -1.369 1.328 -5.123 481 HD21 LEU 65 1HD2 LEU 65 -0.870 -0.384 -3.175 482 HD22 LEU 65 2HD2 LEU 65 -1.904 0.416 -1.992 483 HD23 LEU 65 3HD2 LEU 65 -0.173 0.260 -1.689 484 H VAL 66 H VAL 66 -1.202 5.166 -4.125 485 HA VAL 66 HA VAL 66 -2.972 5.787 -1.853 486 HB VAL 66 HB VAL 66 -2.611 7.219 -4.484 487 HG11 VAL 66 1HG1 VAL 66 -4.366 8.737 -3.797 488 HG12 VAL 66 2HG1 VAL 66 -4.996 7.090 -3.869 489 HG13 VAL 66 3HG1 VAL 66 -4.613 7.822 -2.310 490 HG21 VAL 66 1HG2 VAL 66 -0.951 8.026 -3.114 491 HG22 VAL 66 2HG2 VAL 66 -2.270 9.129 -2.722 492 HG23 VAL 66 3HG2 VAL 66 -1.896 7.785 -1.644 493 H VAL 67 H VAL 67 -5.207 5.496 -2.073 494 HA VAL 67 HA VAL 67 -6.123 4.019 -4.438 495 HB VAL 67 HB VAL 67 -6.716 3.169 -1.600 496 HG11 VAL 67 1HG1 VAL 67 -8.535 2.287 -2.559 497 HG12 VAL 67 2HG1 VAL 67 -7.908 2.534 -4.190 498 HG13 VAL 67 3HG1 VAL 67 -7.424 1.112 -3.263 499 HG21 VAL 67 1HG2 VAL 67 -5.390 1.231 -3.300 500 HG22 VAL 67 2HG2 VAL 67 -4.418 2.685 -3.069 501 HG23 VAL 67 3HG2 VAL 67 -4.981 1.769 -1.671 502 H ARG 68 H ARG 68 -7.555 5.426 -5.254 503 HA ARG 68 HA ARG 68 -9.253 7.015 -3.533 504 HB2 ARG 68 1HB ARG 68 -8.906 6.823 -6.519 505 HB3 ARG 68 2HB ARG 68 -10.188 7.783 -5.793 506 HG2 ARG 68 1HG ARG 68 -8.220 8.840 -4.435 507 HG3 ARG 68 2HG ARG 68 -7.245 8.223 -5.770 508 HD2 ARG 68 1HD ARG 68 -7.828 10.444 -6.341 509 HD3 ARG 68 2HD ARG 68 -8.847 9.394 -7.325 510 HE ARG 68 HE ARG 68 -10.114 10.170 -4.884 511 HH11 ARG 68 2HH1 ARG 68 -9.385 11.191 -8.131 512 HH12 ARG 68 1HH1 ARG 68 -10.730 12.278 -8.231 513 HH21 ARG 68 2HH2 ARG 68 -11.889 11.599 -5.003 514 HH22 ARG 68 1HH2 ARG 68 -12.153 12.510 -6.451 515 H ASN 69 H ASN 69 -11.576 7.032 -3.694 516 HA ASN 69 HA ASN 69 -13.633 6.062 -3.675 517 HB2 ASN 69 1HB ASN 69 -12.840 5.673 -6.164 518 HB3 ASN 69 2HB ASN 69 -12.783 3.988 -5.656 519 HD21 ASN 69 1HD2 ASN 69 -14.911 6.818 -5.587 520 HD22 ASN 69 2HD2 ASN 69 -16.377 5.936 -5.831 521 H LEU 70 H LEU 70 -12.038 5.296 -1.649 522 HA LEU 70 HA LEU 70 -11.475 2.608 -1.296 523 HB2 LEU 70 1HB LEU 70 -12.352 4.700 0.681 524 HB3 LEU 70 2HB LEU 70 -11.830 3.085 1.156 525 HG LEU 70 HG LEU 70 -10.102 5.043 -0.350 526 HD11 LEU 70 1HD1 LEU 70 -10.826 4.957 2.435 527 HD12 LEU 70 2HD1 LEU 70 -9.838 6.130 1.566 528 HD13 LEU 70 3HD1 LEU 70 -9.099 4.670 2.224 529 HD21 LEU 70 1HD2 LEU 70 -8.294 3.543 0.296 530 HD22 LEU 70 2HD2 LEU 70 -9.510 2.689 -0.655 531 HD23 LEU 70 3HD2 LEU 70 -9.449 2.477 1.096 532 H ARG 71 H ARG 71 -12.592 0.910 -0.228 533 HA ARG 71 HA ARG 71 -15.481 1.202 0.080 534 HB2 ARG 71 1HB ARG 71 -14.175 -0.851 -1.713 535 HB3 ARG 71 2HB ARG 71 -15.861 -0.898 -1.216 536 HG2 ARG 71 1HG ARG 71 -16.198 1.300 -2.302 537 HG3 ARG 71 2HG ARG 71 -14.532 1.228 -2.881 538 HD2 ARG 71 1HD ARG 71 -16.514 -0.955 -3.455 539 HD3 ARG 71 2HD ARG 71 -16.378 0.473 -4.481 540 HE ARG 71 HE ARG 71 -13.822 -0.551 -4.207 541 HH11 ARG 71 2HH1 ARG 71 -16.885 -1.598 -5.487 542 HH12 ARG 71 1HH1 ARG 71 -16.179 -2.629 -6.687 543 HH21 ARG 71 2HH2 ARG 71 -12.880 -1.905 -5.783 544 HH22 ARG 71 1HH2 ARG 71 -13.901 -2.803 -6.854 545 HA PRO 72 HA PRO 72 -14.881 -1.392 3.572 546 HB2 PRO 72 1HB PRO 72 -17.315 -2.582 3.742 547 HB3 PRO 72 2HB PRO 72 -17.044 -0.886 4.159 548 HG2 PRO 72 1HG PRO 72 -18.143 -2.063 1.636 549 HG3 PRO 72 2HG PRO 72 -18.700 -0.646 2.544 550 HD2 PRO 72 1HD PRO 72 -17.178 -0.441 0.314 551 HD3 PRO 72 2HD PRO 72 -17.075 0.723 1.651 552 H GLN 73 H GLN 73 -15.193 -2.603 0.477 553 HA GLN 73 HA GLN 73 -14.965 -5.396 1.362 554 HB2 GLN 73 1HB GLN 73 -15.566 -4.277 -1.381 555 HB3 GLN 73 2HB GLN 73 -15.457 -5.987 -0.985 556 HG2 GLN 73 1HG GLN 73 -17.341 -5.703 0.587 557 HG3 GLN 73 2HG GLN 73 -17.482 -4.025 0.064 558 HE21 GLN 73 1HE2 GLN 73 -19.408 -6.206 -0.116 559 HE22 GLN 73 2HE2 GLN 73 -19.800 -6.362 -1.791 560 H ASP 74 H ASP 74 -13.290 -2.796 -0.197 561 HA ASP 74 HA ASP 74 -11.276 -4.215 -1.529 562 HB2 ASP 74 1HB ASP 74 -11.520 -1.447 -0.428 563 HB3 ASP 74 2HB ASP 74 -9.935 -2.012 -0.951 564 H SER 75 H SER 75 -11.525 -3.130 1.821 565 HA SER 75 HA SER 75 -9.002 -3.526 2.773 566 HB2 SER 75 1HB SER 75 -10.072 -4.182 4.943 567 HB3 SER 75 2HB SER 75 -10.755 -2.723 4.227 568 HG SER 75 HG SER 75 -12.601 -3.700 4.208 569 H GLY 76 H GLY 76 -7.741 -5.158 2.061 570 HA2 GLY 76 1HA GLY 76 -8.644 -7.892 2.700 571 HA3 GLY 76 2HA GLY 76 -7.897 -7.537 1.149 572 H ARG 77 H ARG 77 -5.848 -8.130 1.041 573 HA ARG 77 HA ARG 77 -4.166 -7.819 3.436 574 HB2 ARG 77 1HB ARG 77 -4.747 -10.192 3.135 575 HB3 ARG 77 2HB ARG 77 -4.106 -10.139 1.499 576 HG2 ARG 77 1HG ARG 77 -1.928 -10.099 2.202 577 HG3 ARG 77 2HG ARG 77 -2.330 -9.366 3.756 578 HD2 ARG 77 1HD ARG 77 -3.017 -12.192 2.963 579 HD3 ARG 77 2HD ARG 77 -1.612 -11.737 3.926 580 HE ARG 77 HE ARG 77 -4.101 -10.795 5.007 581 HH11 ARG 77 2HH1 ARG 77 -1.883 -13.474 4.852 582 HH12 ARG 77 1HH1 ARG 77 -2.400 -14.158 6.358 583 HH21 ARG 77 2HH2 ARG 77 -4.790 -11.685 6.991 584 HH22 ARG 77 1HH2 ARG 77 -4.054 -13.140 7.573 585 H TYR 78 H TYR 78 -3.170 -5.961 2.733 586 HA TYR 78 HA TYR 78 -1.978 -5.868 0.087 587 HB2 TYR 78 1HB TYR 78 -2.176 -3.881 2.345 588 HB3 TYR 78 2HB TYR 78 -1.202 -3.575 0.911 589 HD1 TYR 78 2HD TYR 78 -4.615 -3.960 2.203 590 HD2 TYR 78 1HD TYR 78 -2.239 -3.097 -1.219 591 HE1 TYR 78 2HE TYR 78 -6.611 -3.123 1.035 592 HE2 TYR 78 1HE TYR 78 -4.228 -2.257 -2.396 593 HH TYR 78 HH TYR 78 -7.432 -2.319 -0.863 594 H SER 79 H SER 79 -0.197 -7.090 -0.105 595 HA SER 79 HA SER 79 1.904 -6.781 1.940 596 HB2 SER 79 1HB SER 79 2.656 -9.020 1.446 597 HB3 SER 79 2HB SER 79 0.921 -9.083 1.759 598 HG SER 79 HG SER 79 0.689 -8.953 -0.593 599 H CYS 80 H CYS 80 4.015 -6.457 1.272 600 HA CYS 80 HA CYS 80 4.352 -5.832 -1.588 601 HB2 CYS 80 1HB CYS 80 4.419 -3.958 0.276 602 HB3 CYS 80 2HB CYS 80 6.064 -4.543 0.494 603 HG CYS 80 HG CYS 80 5.329 -3.983 -2.705 604 H SER 81 H SER 81 5.531 -7.373 -2.509 605 HA SER 81 HA SER 81 7.623 -8.712 -0.961 606 HB2 SER 81 1HB SER 81 6.394 -9.391 -3.644 607 HB3 SER 81 2HB SER 81 7.654 -10.335 -2.849 608 HG SER 81 HG SER 81 6.191 -11.194 -1.615 609 H PHE 82 H PHE 82 9.715 -8.313 -1.266 610 HA PHE 82 HA PHE 82 10.788 -7.503 -3.794 611 HB2 PHE 82 1HB PHE 82 9.931 -5.340 -3.087 612 HB3 PHE 82 2HB PHE 82 10.735 -5.500 -1.529 613 HD1 PHE 82 1HD PHE 82 11.586 -5.608 -5.162 614 HD2 PHE 82 2HD PHE 82 12.711 -4.376 -1.246 615 HE1 PHE 82 1HE PHE 82 13.582 -4.504 -6.085 616 HE2 PHE 82 2HE PHE 82 14.707 -3.270 -2.163 617 HZ PHE 82 HZ PHE 82 15.145 -3.332 -4.586 618 H GLY 83 H GLY 83 12.483 -8.832 -3.823 619 HA2 GLY 83 1HA GLY 83 14.709 -9.354 -3.261 620 HA3 GLY 83 2HA GLY 83 14.467 -8.598 -1.693 621 H ASP 84 H ASP 84 14.034 -9.852 0.024 622 HA ASP 84 HA ASP 84 13.333 -12.668 -0.478 623 HB2 ASP 84 1HB ASP 84 15.734 -12.410 0.131 624 HB3 ASP 84 2HB ASP 84 15.237 -11.679 1.654 625 H GLN 85 H GLN 85 13.274 -9.969 1.803 626 HA GLN 85 HA GLN 85 11.370 -11.309 3.522 627 HB2 GLN 85 1HB GLN 85 12.581 -8.545 3.580 628 HB3 GLN 85 2HB GLN 85 11.404 -9.111 4.759 629 HG2 GLN 85 1HG GLN 85 13.740 -9.260 5.539 630 HG3 GLN 85 2HG GLN 85 12.899 -10.810 5.532 631 HE21 GLN 85 1HE2 GLN 85 14.890 -8.813 3.376 632 HE22 GLN 85 2HE2 GLN 85 15.835 -10.120 2.758 633 H THR 86 H THR 86 9.255 -10.529 3.967 634 HA THR 86 HA THR 86 8.105 -8.629 2.072 635 HB THR 86 HB THR 86 6.983 -11.414 2.442 636 HG1 THR 86 1HG THR 86 7.721 -11.803 0.413 637 HG21 THR 86 1HG2 THR 86 5.474 -10.615 0.539 638 HG22 THR 86 2HG2 THR 86 5.994 -8.985 0.968 639 HG23 THR 86 3HG2 THR 86 5.140 -9.979 2.149 640 H THR 87 H THR 87 6.499 -7.421 2.927 641 HA THR 87 HA THR 87 5.561 -8.151 5.625 642 HB THR 87 HB THR 87 6.979 -6.162 5.686 643 HG1 THR 87 1HG THR 87 4.213 -5.553 6.032 644 HG21 THR 87 1HG2 THR 87 5.772 -4.071 4.581 645 HG22 THR 87 2HG2 THR 87 5.190 -5.309 3.468 646 HG23 THR 87 3HG2 THR 87 6.922 -5.059 3.682 647 H SER 88 H SER 88 3.412 -7.303 6.205 648 HA SER 88 HA SER 88 1.640 -6.796 3.933 649 HB2 SER 88 1HB SER 88 0.021 -8.485 4.756 650 HB3 SER 88 2HB SER 88 1.541 -9.213 4.239 651 HG SER 88 HG SER 88 1.023 -8.524 6.934 652 H ALA 89 H ALA 89 -0.341 -5.794 4.488 653 HA ALA 89 HA ALA 89 -0.657 -4.937 7.269 654 HB1 ALA 89 1HB ALA 89 0.454 -3.047 6.606 655 HB2 ALA 89 2HB ALA 89 -0.121 -3.159 4.941 656 HB3 ALA 89 3HB ALA 89 -1.206 -2.596 6.213 657 H THR 90 H THR 90 -2.766 -3.561 7.420 658 HA THR 90 HA THR 90 -4.812 -4.641 5.609 659 HB THR 90 HB THR 90 -5.192 -4.508 8.602 660 HG1 THR 90 1HG THR 90 -3.649 -6.179 7.525 661 HG21 THR 90 1HG2 THR 90 -6.796 -5.932 6.476 662 HG22 THR 90 2HG2 THR 90 -7.216 -4.359 7.154 663 HG23 THR 90 3HG2 THR 90 -7.190 -5.786 8.188 664 H LEU 91 H LEU 91 -6.701 -3.378 5.408 665 HA LEU 91 HA LEU 91 -6.407 -0.618 6.396 666 HB2 LEU 91 1HB LEU 91 -6.140 -0.800 3.978 667 HB3 LEU 91 2HB LEU 91 -7.706 -1.599 3.858 668 HG LEU 91 HG LEU 91 -8.762 0.500 4.698 669 HD11 LEU 91 1HD1 LEU 91 -7.329 2.567 4.442 670 HD12 LEU 91 2HD1 LEU 91 -5.934 1.490 4.471 671 HD13 LEU 91 3HD1 LEU 91 -7.014 1.570 5.862 672 HD21 LEU 91 1HD2 LEU 91 -7.723 -0.103 2.139 673 HD22 LEU 91 2HD2 LEU 91 -7.518 1.630 2.397 674 HD23 LEU 91 3HD2 LEU 91 -9.117 0.898 2.546 675 H THR 92 H THR 92 -8.086 0.323 7.430 676 HA THR 92 HA THR 92 -10.441 -1.362 7.924 677 HB THR 92 HB THR 92 -9.491 1.042 9.495 678 HG1 THR 92 1HG THR 92 -8.273 -0.316 10.566 679 HG21 THR 92 1HG2 THR 92 -11.999 0.042 9.444 680 HG22 THR 92 2HG2 THR 92 -11.268 0.776 10.871 681 HG23 THR 92 3HG2 THR 92 -11.280 -0.978 10.690 682 H VAL 93 H VAL 93 -12.127 -0.898 6.675 683 HA VAL 93 HA VAL 93 -12.726 1.938 6.132 684 HB VAL 93 HB VAL 93 -13.295 -0.401 4.305 685 HG11 VAL 93 1HG1 VAL 93 -14.544 2.102 4.491 686 HG12 VAL 93 2HG1 VAL 93 -13.476 2.194 3.089 687 HG13 VAL 93 3HG1 VAL 93 -14.691 0.919 3.191 688 HG21 VAL 93 1HG2 VAL 93 -11.421 0.056 3.133 689 HG22 VAL 93 2HG2 VAL 93 -11.525 1.791 3.435 690 HG23 VAL 93 3HG2 VAL 93 -10.870 0.718 4.672 691 H THR 94 H THR 94 -14.388 2.467 7.395 692 HA THR 94 HA THR 94 -16.447 0.509 8.030 693 HB THR 94 HB THR 94 -16.234 3.374 8.972 694 HG1 THR 94 1HG THR 94 -14.557 2.551 10.002 695 HG21 THR 94 1HG2 THR 94 -17.743 1.032 10.138 696 HG22 THR 94 2HG2 THR 94 -18.470 2.313 9.168 697 HG23 THR 94 3HG2 THR 94 -17.747 2.693 10.730 698 H ALA 95 H ALA 95 -18.493 0.532 7.271 699 HA ALA 95 HA ALA 95 -19.105 1.880 4.886 700 HB1 ALA 95 1HB ALA 95 -20.508 0.146 4.931 701 HB2 ALA 95 2HB ALA 95 -20.450 0.034 6.690 702 HB3 ALA 95 3HB ALA 95 -21.553 1.171 5.915 703 H LEU 96 H LEU 96 -19.680 3.916 4.545 704 HA LEU 96 HA LEU 96 -19.857 5.941 6.316 705 HB2 LEU 96 1HB LEU 96 -21.143 5.479 3.677 706 HB3 LEU 96 2HB LEU 96 -21.655 6.880 4.614 707 HG LEU 96 HG LEU 96 -18.793 6.339 3.836 708 HD11 LEU 96 1HD1 LEU 96 -20.625 6.797 1.988 709 HD12 LEU 96 2HD1 LEU 96 -19.033 7.552 1.923 710 HD13 LEU 96 3HD1 LEU 96 -20.414 8.460 2.536 711 HD21 LEU 96 1HD2 LEU 96 -18.405 8.609 4.491 712 HD22 LEU 96 2HD2 LEU 96 -19.217 7.784 5.822 713 HD23 LEU 96 3HD2 LEU 96 -20.126 8.875 4.774 714 HA PRO 97 HA PRO 97 -23.463 5.536 8.790 715 HB2 PRO 97 1HB PRO 97 -24.084 8.143 9.222 716 HB3 PRO 97 2HB PRO 97 -22.699 7.347 9.979 717 HG2 PRO 97 1HG PRO 97 -22.778 9.126 7.572 718 HG3 PRO 97 2HG PRO 97 -21.621 9.112 8.915 719 HD2 PRO 97 1HD PRO 97 -21.082 7.977 6.516 720 HD3 PRO 97 2HD PRO 97 -20.436 7.338 8.041 721 H SER 98 H SER 98 -23.585 6.498 5.642 722 HA SER 98 HA SER 98 -25.823 7.801 5.014 723 HB2 SER 98 1HB SER 98 -24.271 6.428 3.479 724 HB3 SER 98 2HB SER 98 -25.387 5.093 3.766 725 HG SER 98 HG SER 98 -26.177 7.641 2.801 726 H GLY 99 H GLY 99 -27.810 7.814 5.816 727 HA2 GLY 99 1HA GLY 99 -29.736 5.957 5.696 728 HA3 GLY 99 2HA GLY 99 -28.874 5.460 7.145 729 HA PRO 100 HA PRO 100 -32.157 8.422 8.461 730 HB2 PRO 100 1HB PRO 100 -32.859 7.005 10.668 731 HB3 PRO 100 2HB PRO 100 -33.534 6.685 9.067 732 HG2 PRO 100 1HG PRO 100 -31.327 5.267 10.511 733 HG3 PRO 100 2HG PRO 100 -32.666 4.586 9.569 734 HD2 PRO 100 1HD PRO 100 -30.163 4.843 8.568 735 HD3 PRO 100 2HD PRO 100 -31.615 4.979 7.555 736 H SER 101 H SER 101 -31.067 10.141 9.237 737 HA SER 101 HA SER 101 -29.708 9.826 11.829 738 HB2 SER 101 1HB SER 101 -28.770 11.570 9.537 739 HB3 SER 101 2HB SER 101 -28.012 11.456 11.125 740 HG SER 101 HG SER 101 -26.879 10.040 9.952 741 H SER 102 H SER 102 -29.955 11.492 13.291 742 HA SER 102 HA SER 102 -32.197 13.270 12.757 743 HB2 SER 102 1HB SER 102 -31.957 11.884 14.886 744 HB3 SER 102 2HB SER 102 -30.682 13.007 15.356 745 HG SER 102 HG SER 102 -33.254 13.899 14.599 746 H GLY 103 H GLY 103 -31.720 15.128 11.774 747 HA2 GLY 103 1HA GLY 103 -30.878 17.393 12.283 748 HA3 GLY 103 2HA GLY 103 -29.367 16.627 12.751 Start of MODEL 20 1 H1 GLY 1 H GLY 1 37.037 -3.309 1.471 2 HA2 GLY 1 1HA GLY 1 36.159 -4.899 -0.694 3 HA3 GLY 1 2HA GLY 1 37.884 -5.138 -0.459 4 H SER 2 H SER 2 34.782 -6.039 0.528 5 HA SER 2 HA SER 2 35.932 -7.724 2.634 6 HB2 SER 2 1HB SER 2 33.703 -5.753 2.923 7 HB3 SER 2 2HB SER 2 33.614 -7.264 3.829 8 HG SER 2 HG SER 2 35.389 -6.718 4.949 9 H SER 3 H SER 3 35.313 -9.784 2.485 10 HA SER 3 HA SER 3 34.038 -10.907 0.372 11 HB2 SER 3 1HB SER 3 35.246 -12.145 2.184 12 HB3 SER 3 2HB SER 3 33.813 -11.971 3.196 13 HG SER 3 HG SER 3 32.828 -12.949 1.078 14 H GLY 4 H GLY 4 32.478 -9.989 3.439 15 HA2 GLY 4 1HA GLY 4 29.851 -10.540 2.304 16 HA3 GLY 4 2HA GLY 4 30.193 -10.068 3.962 17 H SER 5 H SER 5 30.070 -8.842 0.643 18 HA SER 5 HA SER 5 29.627 -6.141 1.720 19 HB2 SER 5 1HB SER 5 31.487 -6.738 -0.044 20 HB3 SER 5 2HB SER 5 30.145 -6.659 -1.185 21 HG SER 5 HG SER 5 29.770 -4.537 -0.535 22 H SER 6 H SER 6 28.501 -8.283 -0.896 23 HA SER 6 HA SER 6 26.195 -6.741 -1.482 24 HB2 SER 6 1HB SER 6 25.550 -8.538 -2.926 25 HB3 SER 6 2HB SER 6 27.307 -8.413 -3.022 26 HG SER 6 HG SER 6 26.651 -10.576 -2.768 27 H GLY 7 H GLY 7 24.100 -6.918 -0.806 28 HA2 GLY 7 1HA GLY 7 23.139 -9.093 0.773 29 HA3 GLY 7 2HA GLY 7 23.521 -7.700 1.775 30 HA PRO 8 HA PRO 8 19.326 -7.378 -0.584 31 HB2 PRO 8 1HB PRO 8 17.643 -8.654 1.122 32 HB3 PRO 8 2HB PRO 8 18.433 -9.466 -0.235 33 HG2 PRO 8 1HG PRO 8 19.188 -9.448 2.662 34 HG3 PRO 8 2HG PRO 8 19.164 -10.805 1.521 35 HD2 PRO 8 1HD PRO 8 21.445 -9.513 2.200 36 HD3 PRO 8 2HD PRO 8 21.192 -10.225 0.593 37 H VAL 9 H VAL 9 17.287 -6.363 0.382 38 HA VAL 9 HA VAL 9 18.112 -4.529 2.527 39 HB VAL 9 HB VAL 9 15.932 -4.213 0.458 40 HG11 VAL 9 1HG1 VAL 9 16.858 -1.908 2.051 41 HG12 VAL 9 2HG1 VAL 9 15.243 -2.311 1.466 42 HG13 VAL 9 3HG1 VAL 9 15.884 -3.104 2.906 43 HG21 VAL 9 1HG2 VAL 9 18.668 -3.885 0.181 44 HG22 VAL 9 2HG2 VAL 9 17.420 -3.212 -0.868 45 HG23 VAL 9 3HG2 VAL 9 18.067 -2.251 0.462 46 H ARG 10 H ARG 10 16.960 -4.330 4.379 47 HA ARG 10 HA ARG 10 14.743 -6.221 4.754 48 HB2 ARG 10 1HB ARG 10 16.790 -5.051 6.604 49 HB3 ARG 10 2HB ARG 10 15.262 -5.635 7.251 50 HG2 ARG 10 1HG ARG 10 15.710 -7.835 6.674 51 HG3 ARG 10 2HG ARG 10 16.927 -7.377 5.480 52 HD2 ARG 10 1HD ARG 10 18.398 -6.616 7.292 53 HD3 ARG 10 2HD ARG 10 17.184 -7.105 8.474 54 HE ARG 10 HE ARG 10 18.995 -8.819 7.025 55 HH11 ARG 10 2HH1 ARG 10 16.019 -8.619 8.820 56 HH12 ARG 10 1HH1 ARG 10 16.016 -10.296 9.255 57 HH21 ARG 10 2HH2 ARG 10 19.002 -11.029 7.590 58 HH22 ARG 10 1HH2 ARG 10 17.714 -11.666 8.555 59 H PHE 11 H PHE 11 12.844 -5.572 5.826 60 HA PHE 11 HA PHE 11 12.022 -2.897 5.229 61 HB2 PHE 11 1HB PHE 11 10.732 -5.357 6.281 62 HB3 PHE 11 2HB PHE 11 9.963 -3.825 6.680 63 HD1 PHE 11 2HD PHE 11 9.470 -2.231 4.717 64 HD2 PHE 11 1HD PHE 11 10.310 -6.377 4.249 65 HE1 PHE 11 2HE PHE 11 8.395 -2.195 2.505 66 HE2 PHE 11 1HE PHE 11 9.236 -6.348 2.035 67 HZ PHE 11 HZ PHE 11 8.276 -4.255 1.161 68 H GLN 12 H GLN 12 12.831 -1.297 6.443 69 HA GLN 12 HA GLN 12 13.276 -1.637 9.281 70 HB2 GLN 12 1HB GLN 12 14.137 0.672 9.189 71 HB3 GLN 12 2HB GLN 12 14.897 -0.367 7.991 72 HG2 GLN 12 1HG GLN 12 13.960 0.728 6.236 73 HG3 GLN 12 2HG GLN 12 12.521 1.187 7.146 74 HE21 GLN 12 1HE2 GLN 12 15.966 1.855 6.794 75 HE22 GLN 12 2HE2 GLN 12 15.876 3.514 7.268 76 H GLU 13 H GLU 13 11.022 0.041 7.165 77 HA GLU 13 HA GLU 13 9.323 0.561 9.503 78 HB2 GLU 13 1HB GLU 13 10.060 2.521 7.333 79 HB3 GLU 13 2HB GLU 13 8.653 2.735 8.366 80 HG2 GLU 13 1HG GLU 13 11.402 2.369 9.502 81 HG3 GLU 13 2HG GLU 13 10.797 3.949 9.008 82 H ALA 14 H ALA 14 8.899 -1.627 8.042 83 HA ALA 14 HA ALA 14 7.473 -1.607 5.719 84 HB1 ALA 14 1HB ALA 14 7.463 -3.762 6.249 85 HB2 ALA 14 2HB ALA 14 7.756 -3.396 7.950 86 HB3 ALA 14 3HB ALA 14 6.106 -3.441 7.329 87 H LEU 15 H LEU 15 5.089 -1.944 5.406 88 HA LEU 15 HA LEU 15 3.655 0.324 6.093 89 HB2 LEU 15 1HB LEU 15 2.464 -2.366 5.445 90 HB3 LEU 15 2HB LEU 15 1.706 -0.790 5.232 91 HG LEU 15 HG LEU 15 4.225 -1.400 3.753 92 HD11 LEU 15 1HD1 LEU 15 2.837 -3.364 3.375 93 HD12 LEU 15 2HD1 LEU 15 2.928 -2.369 1.923 94 HD13 LEU 15 3HD1 LEU 15 1.479 -2.332 2.927 95 HD21 LEU 15 1HD2 LEU 15 2.357 0.702 3.849 96 HD22 LEU 15 2HD2 LEU 15 2.147 -0.089 2.287 97 HD23 LEU 15 3HD2 LEU 15 3.733 0.522 2.760 98 H LYS 16 H LYS 16 1.408 0.164 7.215 99 HA LYS 16 HA LYS 16 1.349 -1.545 9.547 100 HB2 LYS 16 1HB LYS 16 1.604 1.455 9.826 101 HB3 LYS 16 2HB LYS 16 1.197 0.356 11.138 102 HG2 LYS 16 1HG LYS 16 3.418 -0.812 10.549 103 HG3 LYS 16 2HG LYS 16 3.793 0.684 9.692 104 HD2 LYS 16 1HD LYS 16 2.819 0.791 12.516 105 HD3 LYS 16 2HD LYS 16 4.507 0.395 12.184 106 HE2 LYS 16 1HE LYS 16 4.912 2.471 11.180 107 HE3 LYS 16 2HE LYS 16 3.194 2.804 10.969 108 HZ1 LYS 16 1HZ LYS 16 2.951 3.131 13.306 109 HZ2 LYS 16 2HZ LYS 16 4.251 4.081 12.786 110 HZ3 LYS 16 3HZ LYS 16 4.539 2.631 13.609 111 H ASP 17 H ASP 17 -0.692 -1.953 10.181 112 HA ASP 17 HA ASP 17 -2.890 -1.525 8.677 113 HB2 ASP 17 1HB ASP 17 -4.230 -2.147 10.524 114 HB3 ASP 17 2HB ASP 17 -2.674 -2.927 10.800 115 H LEU 18 H LEU 18 -3.900 0.217 7.955 116 HA LEU 18 HA LEU 18 -3.789 2.681 9.562 117 HB2 LEU 18 1HB LEU 18 -4.356 2.449 6.614 118 HB3 LEU 18 2HB LEU 18 -4.046 3.922 7.531 119 HG LEU 18 HG LEU 18 -1.727 2.767 7.984 120 HD11 LEU 18 1HD1 LEU 18 -2.504 1.541 5.344 121 HD12 LEU 18 2HD1 LEU 18 -2.402 0.658 6.867 122 HD13 LEU 18 3HD1 LEU 18 -0.955 1.393 6.176 123 HD21 LEU 18 1HD2 LEU 18 -1.442 4.734 6.920 124 HD22 LEU 18 2HD2 LEU 18 -2.741 4.423 5.767 125 HD23 LEU 18 3HD2 LEU 18 -1.151 3.698 5.523 126 H GLU 19 H GLU 19 -5.696 4.138 9.308 127 HA GLU 19 HA GLU 19 -8.193 2.616 8.975 128 HB2 GLU 19 1HB GLU 19 -7.793 2.862 11.353 129 HB3 GLU 19 2HB GLU 19 -7.526 4.589 11.163 130 HG2 GLU 19 1HG GLU 19 -10.126 3.481 10.265 131 HG3 GLU 19 2HG GLU 19 -9.829 3.605 11.998 132 H VAL 20 H VAL 20 -9.501 3.486 7.520 133 HA VAL 20 HA VAL 20 -9.591 6.394 7.206 134 HB VAL 20 HB VAL 20 -9.183 4.478 4.906 135 HG11 VAL 20 1HG1 VAL 20 -9.065 6.729 3.636 136 HG12 VAL 20 2HG1 VAL 20 -10.647 6.057 4.039 137 HG13 VAL 20 3HG1 VAL 20 -9.969 7.365 5.010 138 HG21 VAL 20 1HG2 VAL 20 -7.028 5.116 4.820 139 HG22 VAL 20 2HG2 VAL 20 -7.396 6.783 5.262 140 HG23 VAL 20 3HG2 VAL 20 -7.275 5.545 6.512 141 H LEU 21 H LEU 21 -11.508 7.164 6.150 142 HA LEU 21 HA LEU 21 -13.788 5.423 6.636 143 HB2 LEU 21 1HB LEU 21 -13.530 7.906 7.338 144 HB3 LEU 21 2HB LEU 21 -13.967 8.249 5.666 145 HG LEU 21 HG LEU 21 -15.721 6.531 7.386 146 HD11 LEU 21 1HD1 LEU 21 -15.074 9.222 7.949 147 HD12 LEU 21 2HD1 LEU 21 -16.327 8.221 8.682 148 HD13 LEU 21 3HD1 LEU 21 -16.700 9.203 7.265 149 HD21 LEU 21 1HD2 LEU 21 -17.340 7.947 5.790 150 HD22 LEU 21 2HD2 LEU 21 -16.614 6.412 5.311 151 HD23 LEU 21 3HD2 LEU 21 -15.887 7.933 4.790 152 H GLU 22 H GLU 22 -15.364 4.926 5.100 153 HA GLU 22 HA GLU 22 -14.451 4.355 2.514 154 HB2 GLU 22 1HB GLU 22 -16.627 3.555 2.056 155 HB3 GLU 22 2HB GLU 22 -16.368 3.256 3.769 156 HG2 GLU 22 1HG GLU 22 -17.833 4.924 4.418 157 HG3 GLU 22 2HG GLU 22 -17.735 5.753 2.865 158 H GLY 23 H GLY 23 -14.762 5.316 0.532 159 HA2 GLY 23 1HA GLY 23 -15.502 6.931 -0.986 160 HA3 GLY 23 2HA GLY 23 -16.298 7.775 0.335 161 H GLY 24 H GLY 24 -12.909 6.781 0.207 162 HA2 GLY 24 1HA GLY 24 -12.076 9.538 -0.276 163 HA3 GLY 24 2HA GLY 24 -11.646 8.843 1.279 164 H ALA 25 H ALA 25 -9.460 8.764 1.042 165 HA ALA 25 HA ALA 25 -8.457 6.789 -0.868 166 HB1 ALA 25 1HB ALA 25 -7.798 9.666 -0.858 167 HB2 ALA 25 2HB ALA 25 -6.442 8.553 -1.044 168 HB3 ALA 25 3HB ALA 25 -7.788 8.500 -2.182 169 H ALA 26 H ALA 26 -6.734 5.607 -0.140 170 HA ALA 26 HA ALA 26 -5.836 6.192 2.605 171 HB1 ALA 26 1HB ALA 26 -6.392 3.618 1.190 172 HB2 ALA 26 2HB ALA 26 -5.261 3.662 2.544 173 HB3 ALA 26 3HB ALA 26 -6.935 4.166 2.776 174 H THR 27 H THR 27 -3.826 6.920 2.723 175 HA THR 27 HA THR 27 -1.923 6.221 0.600 176 HB THR 27 HB THR 27 -1.640 8.377 2.699 177 HG1 THR 27 1HG THR 27 -2.105 9.710 0.720 178 HG21 THR 27 1HG2 THR 27 0.488 7.695 1.787 179 HG22 THR 27 2HG2 THR 27 0.053 9.263 1.107 180 HG23 THR 27 3HG2 THR 27 -0.140 7.799 0.144 181 H LEU 28 H LEU 28 -0.645 4.553 1.039 182 HA LEU 28 HA LEU 28 0.012 3.903 3.805 183 HB2 LEU 28 1HB LEU 28 0.600 2.423 1.245 184 HB3 LEU 28 2HB LEU 28 0.937 1.832 2.871 185 HG LEU 28 HG LEU 28 -1.649 2.144 3.187 186 HD11 LEU 28 1HD1 LEU 28 -1.272 2.175 0.224 187 HD12 LEU 28 2HD1 LEU 28 -2.374 3.119 1.226 188 HD13 LEU 28 3HD1 LEU 28 -2.697 1.411 0.927 189 HD21 LEU 28 1HD2 LEU 28 -1.810 -0.114 3.033 190 HD22 LEU 28 2HD2 LEU 28 -0.054 0.024 2.929 191 HD23 LEU 28 3HD2 LEU 28 -1.012 -0.178 1.461 192 H ARG 29 H ARG 29 2.066 3.884 4.640 193 HA ARG 29 HA ARG 29 4.203 4.953 2.919 194 HB2 ARG 29 1HB ARG 29 3.261 5.866 5.594 195 HB3 ARG 29 2HB ARG 29 4.988 5.928 5.268 196 HG2 ARG 29 1HG ARG 29 4.430 7.232 3.186 197 HG3 ARG 29 2HG ARG 29 2.780 7.343 3.803 198 HD2 ARG 29 1HD ARG 29 3.497 8.545 5.728 199 HD3 ARG 29 2HD ARG 29 5.193 8.226 5.370 200 HE ARG 29 HE ARG 29 4.424 9.589 3.199 201 HH11 ARG 29 2HH1 ARG 29 3.961 10.194 6.596 202 HH12 ARG 29 1HH1 ARG 29 3.940 11.918 6.420 203 HH21 ARG 29 2HH2 ARG 29 4.398 11.857 2.954 204 HH22 ARG 29 1HH2 ARG 29 4.188 12.862 4.347 205 H CYS 30 H CYS 30 6.299 4.217 3.324 206 HA CYS 30 HA CYS 30 7.009 2.533 5.474 207 HB2 CYS 30 1HB CYS 30 7.220 0.397 4.259 208 HB3 CYS 30 2HB CYS 30 5.544 0.919 4.379 209 HG CYS 30 HG CYS 30 5.302 1.726 1.763 210 H VAL 31 H VAL 31 9.149 2.648 5.675 211 HA VAL 31 HA VAL 31 10.711 3.532 3.350 212 HB VAL 31 HB VAL 31 11.439 3.639 6.280 213 HG11 VAL 31 1HG1 VAL 31 13.350 4.907 5.635 214 HG12 VAL 31 2HG1 VAL 31 13.339 3.440 4.654 215 HG13 VAL 31 3HG1 VAL 31 12.815 4.972 3.956 216 HG21 VAL 31 1HG2 VAL 31 9.787 5.240 6.088 217 HG22 VAL 31 2HG2 VAL 31 11.237 6.176 5.726 218 HG23 VAL 31 3HG2 VAL 31 10.198 5.617 4.415 219 H LEU 32 H LEU 32 12.632 2.516 2.771 220 HA LEU 32 HA LEU 32 12.894 -0.237 3.762 221 HB2 LEU 32 1HB LEU 32 13.976 0.997 1.233 222 HB3 LEU 32 2HB LEU 32 14.077 -0.703 1.687 223 HG LEU 32 HG LEU 32 11.392 0.572 1.409 224 HD11 LEU 32 1HD1 LEU 32 12.233 1.276 -0.637 225 HD12 LEU 32 2HD1 LEU 32 11.517 -0.291 -1.015 226 HD13 LEU 32 3HD1 LEU 32 13.263 -0.144 -0.816 227 HD21 LEU 32 1HD2 LEU 32 12.581 -2.148 1.365 228 HD22 LEU 32 2HD2 LEU 32 11.149 -1.857 0.378 229 HD23 LEU 32 3HD2 LEU 32 11.094 -1.572 2.119 230 H SER 33 H SER 33 14.913 -1.088 4.320 231 HA SER 33 HA SER 33 16.573 0.287 5.922 232 HB2 SER 33 1HB SER 33 16.616 -2.221 5.241 233 HB3 SER 33 2HB SER 33 17.796 -1.710 4.035 234 HG SER 33 HG SER 33 19.075 -0.892 5.729 235 H SER 34 H SER 34 16.915 0.056 2.404 236 HA SER 34 HA SER 34 18.571 2.472 2.471 237 HB2 SER 34 1HB SER 34 20.128 1.511 0.815 238 HB3 SER 34 2HB SER 34 20.143 0.596 2.323 239 HG SER 34 HG SER 34 18.427 -0.179 0.238 240 H VAL 35 H VAL 35 18.918 3.273 0.128 241 HA VAL 35 HA VAL 35 16.321 3.616 -1.030 242 HB VAL 35 HB VAL 35 19.001 4.532 -2.083 243 HG11 VAL 35 1HG1 VAL 35 16.198 4.946 -2.948 244 HG12 VAL 35 2HG1 VAL 35 17.279 6.339 -3.015 245 HG13 VAL 35 3HG1 VAL 35 17.680 4.867 -3.900 246 HG21 VAL 35 1HG2 VAL 35 18.147 5.276 0.275 247 HG22 VAL 35 2HG2 VAL 35 18.816 6.464 -0.843 248 HG23 VAL 35 3HG2 VAL 35 17.069 6.310 -0.663 249 H ALA 36 H ALA 36 15.580 1.721 -1.906 250 HA ALA 36 HA ALA 36 17.112 0.677 -4.197 251 HB1 ALA 36 1HB ALA 36 16.024 -1.541 -3.685 252 HB2 ALA 36 2HB ALA 36 17.252 -1.003 -2.538 253 HB3 ALA 36 3HB ALA 36 15.541 -0.849 -2.136 254 H ALA 37 H ALA 37 16.040 0.459 -6.083 255 HA ALA 37 HA ALA 37 13.262 0.089 -6.354 256 HB1 ALA 37 1HB ALA 37 13.992 2.763 -5.806 257 HB2 ALA 37 2HB ALA 37 13.511 2.686 -7.501 258 HB3 ALA 37 3HB ALA 37 12.405 2.131 -6.245 259 HA PRO 38 HA PRO 38 11.836 1.385 -8.099 260 HB2 PRO 38 1HB PRO 38 10.388 -0.082 -9.866 261 HB3 PRO 38 2HB PRO 38 11.157 1.451 -10.293 262 HG2 PRO 38 1HG PRO 38 12.095 -1.346 -10.804 263 HG3 PRO 38 2HG PRO 38 12.117 0.058 -11.888 264 HD2 PRO 38 1HD PRO 38 14.313 -0.780 -10.543 265 HD3 PRO 38 2HD PRO 38 14.021 0.929 -10.925 266 H VAL 39 H VAL 39 9.729 0.042 -7.670 267 HA VAL 39 HA VAL 39 10.509 -2.479 -6.353 268 HB VAL 39 HB VAL 39 8.776 -2.020 -4.655 269 HG11 VAL 39 1HG1 VAL 39 10.280 -0.978 -3.362 270 HG12 VAL 39 2HG1 VAL 39 11.312 -1.007 -4.793 271 HG13 VAL 39 3HG1 VAL 39 10.356 0.429 -4.423 272 HG21 VAL 39 1HG2 VAL 39 7.512 -0.449 -6.243 273 HG22 VAL 39 2HG2 VAL 39 7.575 -0.019 -4.534 274 HG23 VAL 39 3HG2 VAL 39 8.633 0.793 -5.687 275 H LYS 40 H LYS 40 8.390 -3.753 -5.765 276 HA LYS 40 HA LYS 40 6.604 -3.722 -8.107 277 HB2 LYS 40 1HB LYS 40 8.364 -5.582 -8.068 278 HB3 LYS 40 2HB LYS 40 7.466 -6.248 -6.710 279 HG2 LYS 40 1HG LYS 40 5.434 -6.212 -8.235 280 HG3 LYS 40 2HG LYS 40 6.570 -5.919 -9.554 281 HD2 LYS 40 1HD LYS 40 7.582 -8.001 -9.308 282 HD3 LYS 40 2HD LYS 40 6.986 -8.203 -7.659 283 HE2 LYS 40 1HE LYS 40 4.648 -8.213 -8.735 284 HE3 LYS 40 2HE LYS 40 5.504 -8.498 -10.250 285 HZ1 LYS 40 1HZ LYS 40 5.355 -10.635 -9.677 286 HZ2 LYS 40 2HZ LYS 40 5.010 -10.295 -8.056 287 HZ3 LYS 40 3HZ LYS 40 6.614 -10.314 -8.593 288 H TRP 41 H TRP 41 4.525 -3.546 -7.603 289 HA TRP 41 HA TRP 41 3.699 -4.185 -4.850 290 HB2 TRP 41 1HB TRP 41 2.727 -2.136 -6.826 291 HB3 TRP 41 2HB TRP 41 1.714 -2.650 -5.480 292 HD1 TRP 41 HD TRP 41 5.020 -0.819 -6.194 293 HE1 TRP 41 1HE TRP 41 5.622 0.600 -4.133 294 HE3 TRP 41 3HE TRP 41 1.357 -2.422 -3.007 295 HZ2 TRP 41 2HZ TRP 41 4.670 0.988 -1.504 296 HZ3 TRP 41 3HZ TRP 41 1.274 -1.477 -0.737 297 HH2 TRP 41 HH TRP 41 2.897 0.192 -0.002 298 H CYS 42 H CYS 42 2.693 -6.076 -4.716 299 HA CYS 42 HA CYS 42 0.752 -6.776 -6.816 300 HB2 CYS 42 1HB CYS 42 1.359 -9.141 -6.531 301 HB3 CYS 42 2HB CYS 42 2.737 -8.184 -7.061 302 HG CYS 42 HG CYS 42 4.258 -8.523 -4.963 303 H TYR 43 H TYR 43 -1.242 -7.080 -6.085 304 HA TYR 43 HA TYR 43 -1.604 -7.650 -3.216 305 HB2 TYR 43 1HB TYR 43 -2.511 -5.519 -3.508 306 HB3 TYR 43 2HB TYR 43 -3.139 -5.897 -5.108 307 HD1 TYR 43 2HD TYR 43 -3.557 -7.202 -1.623 308 HD2 TYR 43 1HD TYR 43 -5.430 -6.013 -5.254 309 HE1 TYR 43 2HE TYR 43 -5.759 -7.684 -0.638 310 HE2 TYR 43 1HE TYR 43 -7.637 -6.490 -4.278 311 HH TYR 43 HH TYR 43 -8.235 -8.327 -1.892 312 H GLY 44 H GLY 44 -1.741 -9.869 -3.333 313 HA2 GLY 44 1HA GLY 44 -2.947 -11.835 -3.450 314 HA3 GLY 44 2HA GLY 44 -4.271 -10.930 -4.169 315 H ASN 45 H ASN 45 -4.653 -12.597 -5.671 316 HA ASN 45 HA ASN 45 -2.856 -13.844 -7.331 317 HB2 ASN 45 1HB ASN 45 -5.737 -13.126 -7.573 318 HB3 ASN 45 2HB ASN 45 -4.910 -13.685 -9.024 319 HD21 ASN 45 1HD2 ASN 45 -6.877 -14.727 -6.775 320 HD22 ASN 45 2HD2 ASN 45 -6.341 -16.358 -6.574 321 H ASN 46 H ASN 46 -4.726 -10.924 -8.181 322 HA ASN 46 HA ASN 46 -3.208 -10.420 -10.535 323 HB2 ASN 46 1HB ASN 46 -5.575 -9.653 -10.112 324 HB3 ASN 46 2HB ASN 46 -4.915 -8.440 -9.019 325 HD21 ASN 46 1HD2 ASN 46 -5.897 -6.883 -10.417 326 HD22 ASN 46 2HD2 ASN 46 -5.103 -6.407 -11.876 327 H VAL 47 H VAL 47 -2.171 -8.179 -10.836 328 HA VAL 47 HA VAL 47 -0.438 -7.620 -8.515 329 HB VAL 47 HB VAL 47 0.301 -7.417 -11.438 330 HG11 VAL 47 1HG1 VAL 47 1.648 -5.828 -10.497 331 HG12 VAL 47 2HG1 VAL 47 1.656 -6.611 -8.916 332 HG13 VAL 47 3HG1 VAL 47 2.640 -7.260 -10.228 333 HG21 VAL 47 1HG2 VAL 47 1.196 -9.474 -11.345 334 HG22 VAL 47 2HG2 VAL 47 1.785 -9.251 -9.698 335 HG23 VAL 47 3HG2 VAL 47 0.105 -9.707 -9.979 336 H LEU 48 H LEU 48 -0.293 -5.565 -7.835 337 HA LEU 48 HA LEU 48 -2.089 -3.609 -8.829 338 HB2 LEU 48 1HB LEU 48 0.176 -3.491 -6.855 339 HB3 LEU 48 2HB LEU 48 -0.813 -2.087 -7.251 340 HG LEU 48 HG LEU 48 -1.885 -4.652 -6.080 341 HD11 LEU 48 1HD1 LEU 48 -0.440 -2.529 -4.835 342 HD12 LEU 48 2HD1 LEU 48 -1.151 -3.968 -4.106 343 HD13 LEU 48 3HD1 LEU 48 -2.113 -2.500 -4.278 344 HD21 LEU 48 1HD2 LEU 48 -3.706 -2.791 -5.499 345 HD22 LEU 48 2HD2 LEU 48 -3.750 -3.735 -6.988 346 HD23 LEU 48 3HD2 LEU 48 -3.079 -2.103 -6.997 347 H ARG 49 H ARG 49 -1.847 -2.375 -10.560 348 HA ARG 49 HA ARG 49 0.883 -1.730 -11.462 349 HB2 ARG 49 1HB ARG 49 -1.666 -2.175 -13.004 350 HB3 ARG 49 2HB ARG 49 -0.285 -1.346 -13.711 351 HG2 ARG 49 1HG ARG 49 0.174 -3.993 -12.449 352 HG3 ARG 49 2HG ARG 49 -0.656 -3.939 -14.006 353 HD2 ARG 49 1HD ARG 49 1.966 -2.556 -13.477 354 HD3 ARG 49 2HD ARG 49 1.850 -4.199 -14.106 355 HE ARG 49 HE ARG 49 0.390 -2.196 -15.598 356 HH11 ARG 49 2HH1 ARG 49 3.364 -3.969 -15.232 357 HH12 ARG 49 1HH1 ARG 49 3.869 -3.715 -16.870 358 HH21 ARG 49 2HH2 ARG 49 1.043 -1.855 -17.756 359 HH22 ARG 49 1HH2 ARG 49 2.549 -2.512 -18.304 360 HA PRO 50 HA PRO 50 0.050 2.529 -10.750 361 HB2 PRO 50 1HB PRO 50 1.778 3.631 -12.531 362 HB3 PRO 50 2HB PRO 50 2.306 2.867 -11.027 363 HG2 PRO 50 1HG PRO 50 2.264 1.752 -13.805 364 HG3 PRO 50 2HG PRO 50 3.525 1.619 -12.565 365 HD2 PRO 50 1HD PRO 50 1.767 -0.377 -13.075 366 HD3 PRO 50 2HD PRO 50 2.431 -0.079 -11.455 367 H GLY 51 H GLY 51 -0.931 4.377 -11.677 368 HA2 GLY 51 1HA GLY 51 -1.488 5.140 -14.160 369 HA3 GLY 51 2HA GLY 51 -2.558 3.754 -14.015 370 H ASP 52 H ASP 52 -4.568 4.280 -13.524 371 HA ASP 52 HA ASP 52 -5.071 6.794 -12.102 372 HB2 ASP 52 1HB ASP 52 -7.042 5.028 -13.566 373 HB3 ASP 52 2HB ASP 52 -7.337 6.653 -12.952 374 H LYS 53 H LYS 53 -5.917 3.355 -12.029 375 HA LYS 53 HA LYS 53 -7.621 3.348 -9.843 376 HB2 LYS 53 1HB LYS 53 -7.312 1.374 -11.208 377 HB3 LYS 53 2HB LYS 53 -5.624 1.258 -10.727 378 HG2 LYS 53 1HG LYS 53 -6.882 -0.383 -9.527 379 HG3 LYS 53 2HG LYS 53 -6.365 0.868 -8.394 380 HD2 LYS 53 1HD LYS 53 -8.555 1.870 -8.425 381 HD3 LYS 53 2HD LYS 53 -9.086 0.764 -9.695 382 HE2 LYS 53 1HE LYS 53 -8.040 -0.382 -7.154 383 HE3 LYS 53 2HE LYS 53 -9.654 0.328 -7.153 384 HZ1 LYS 53 1HZ LYS 53 -8.742 -2.142 -8.303 385 HZ2 LYS 53 2HZ LYS 53 -9.661 -1.214 -9.377 386 HZ3 LYS 53 3HZ LYS 53 -10.308 -1.661 -7.879 387 H TYR 54 H TYR 54 -4.096 2.817 -9.843 388 HA TYR 54 HA TYR 54 -4.067 3.697 -7.032 389 HB2 TYR 54 1HB TYR 54 -2.118 1.695 -8.156 390 HB3 TYR 54 2HB TYR 54 -2.449 2.068 -6.468 391 HD1 TYR 54 1HD TYR 54 -4.759 1.446 -5.551 392 HD2 TYR 54 2HD TYR 54 -3.228 -0.067 -9.221 393 HE1 TYR 54 1HE TYR 54 -6.373 -0.407 -5.454 394 HE2 TYR 54 2HE TYR 54 -4.839 -1.923 -9.134 395 HH TYR 54 HH TYR 54 -6.877 -2.547 -8.128 396 H SER 55 H SER 55 -1.745 4.314 -6.367 397 HA SER 55 HA SER 55 -0.360 5.680 -8.569 398 HB2 SER 55 1HB SER 55 -1.922 7.212 -7.221 399 HB3 SER 55 2HB SER 55 -0.776 7.011 -5.895 400 HG SER 55 HG SER 55 -0.260 8.088 -8.468 401 H LEU 56 H LEU 56 1.687 5.060 -8.616 402 HA LEU 56 HA LEU 56 2.974 4.246 -6.094 403 HB2 LEU 56 1HB LEU 56 3.772 3.417 -8.875 404 HB3 LEU 56 2HB LEU 56 4.368 2.766 -7.350 405 HG LEU 56 HG LEU 56 1.535 2.461 -8.341 406 HD11 LEU 56 1HD1 LEU 56 2.481 -0.006 -8.490 407 HD12 LEU 56 2HD1 LEU 56 3.990 0.855 -8.791 408 HD13 LEU 56 3HD1 LEU 56 2.599 1.121 -9.842 409 HD21 LEU 56 1HD2 LEU 56 3.053 1.476 -5.956 410 HD22 LEU 56 2HD2 LEU 56 1.695 0.552 -6.601 411 HD23 LEU 56 3HD2 LEU 56 1.449 2.206 -6.038 412 H ARG 57 H ARG 57 3.825 6.214 -5.491 413 HA ARG 57 HA ARG 57 5.620 7.554 -7.388 414 HB2 ARG 57 1HB ARG 57 3.782 8.830 -6.170 415 HB3 ARG 57 2HB ARG 57 4.729 8.602 -4.706 416 HG2 ARG 57 1HG ARG 57 6.405 10.017 -5.405 417 HG3 ARG 57 2HG ARG 57 6.009 9.810 -7.113 418 HD2 ARG 57 1HD ARG 57 5.380 12.032 -6.311 419 HD3 ARG 57 2HD ARG 57 3.967 11.102 -6.809 420 HE ARG 57 HE ARG 57 4.048 10.612 -4.178 421 HH11 ARG 57 2HH1 ARG 57 4.278 13.575 -5.991 422 HH12 ARG 57 1HH1 ARG 57 3.567 14.546 -4.744 423 HH21 ARG 57 2HH2 ARG 57 3.111 11.879 -2.530 424 HH22 ARG 57 1HH2 ARG 57 2.904 13.580 -2.775 425 H GLN 58 H GLN 58 7.710 7.114 -7.248 426 HA GLN 58 HA GLN 58 8.787 5.895 -4.839 427 HB2 GLN 58 1HB GLN 58 9.311 5.009 -7.118 428 HB3 GLN 58 2HB GLN 58 10.190 6.496 -7.445 429 HG2 GLN 58 1HG GLN 58 11.888 5.098 -6.820 430 HG3 GLN 58 2HG GLN 58 11.499 5.873 -5.285 431 HE21 GLN 58 1HE2 GLN 58 12.182 4.241 -3.977 432 HE22 GLN 58 2HE2 GLN 58 11.420 2.692 -3.902 433 H GLU 59 H GLU 59 9.929 6.938 -3.344 434 HA GLU 59 HA GLU 59 11.280 9.438 -4.041 435 HB2 GLU 59 1HB GLU 59 9.143 9.104 -1.962 436 HB3 GLU 59 2HB GLU 59 10.402 10.312 -1.751 437 HG2 GLU 59 1HG GLU 59 8.810 10.201 -4.277 438 HG3 GLU 59 2HG GLU 59 8.171 10.996 -2.839 439 H GLY 60 H GLY 60 13.299 9.423 -3.308 440 HA2 GLY 60 1HA GLY 60 15.191 8.602 -2.262 441 HA3 GLY 60 2HA GLY 60 14.254 8.952 -0.817 442 H ALA 61 H ALA 61 13.883 7.316 0.522 443 HA ALA 61 HA ALA 61 14.083 4.576 -0.548 444 HB1 ALA 61 1HB ALA 61 15.863 4.393 0.792 445 HB2 ALA 61 2HB ALA 61 15.449 5.852 1.693 446 HB3 ALA 61 3HB ALA 61 14.690 4.315 2.108 447 H MET 62 H MET 62 11.671 6.111 -0.351 448 HA MET 62 HA MET 62 10.199 4.386 1.508 449 HB2 MET 62 1HB MET 62 10.517 6.599 2.580 450 HB3 MET 62 2HB MET 62 9.710 7.355 1.212 451 HG2 MET 62 1HG MET 62 7.660 6.182 1.731 452 HG3 MET 62 2HG MET 62 8.458 5.330 3.051 453 HE1 MET 62 1HE MET 62 6.933 6.936 5.637 454 HE2 MET 62 2HE MET 62 7.954 5.653 4.986 455 HE3 MET 62 3HE MET 62 8.685 7.026 5.820 456 H LEU 63 H LEU 63 8.180 3.753 0.816 457 HA LEU 63 HA LEU 63 7.531 4.457 -1.965 458 HB2 LEU 63 1HB LEU 63 6.912 2.021 -0.312 459 HB3 LEU 63 2HB LEU 63 6.156 2.339 -1.872 460 HG LEU 63 HG LEU 63 7.898 0.798 -2.273 461 HD11 LEU 63 1HD1 LEU 63 7.722 2.992 -3.682 462 HD12 LEU 63 2HD1 LEU 63 9.055 1.868 -3.943 463 HD13 LEU 63 3HD1 LEU 63 9.307 3.327 -2.985 464 HD21 LEU 63 1HD2 LEU 63 9.123 1.043 -0.198 465 HD22 LEU 63 2HD2 LEU 63 9.691 2.638 -0.691 466 HD23 LEU 63 3HD2 LEU 63 10.222 1.202 -1.568 467 H GLU 64 H GLU 64 5.361 4.852 -2.560 468 HA GLU 64 HA GLU 64 3.490 5.358 -0.355 469 HB2 GLU 64 1HB GLU 64 4.792 7.440 -1.273 470 HB3 GLU 64 2HB GLU 64 3.668 7.311 -2.618 471 HG2 GLU 64 1HG GLU 64 2.636 8.822 -1.208 472 HG3 GLU 64 2HG GLU 64 1.836 7.301 -0.819 473 H LEU 65 H LEU 65 1.586 4.444 -0.724 474 HA LEU 65 HA LEU 65 0.732 4.032 -3.511 475 HB2 LEU 65 1HB LEU 65 1.403 1.898 -2.760 476 HB3 LEU 65 2HB LEU 65 0.631 2.125 -1.192 477 HG LEU 65 HG LEU 65 -1.546 2.240 -2.719 478 HD11 LEU 65 1HD1 LEU 65 -0.802 0.107 -4.313 479 HD12 LEU 65 2HD1 LEU 65 0.531 1.249 -4.481 480 HD13 LEU 65 3HD1 LEU 65 -1.117 1.758 -4.848 481 HD21 LEU 65 1HD2 LEU 65 -1.397 -0.430 -2.482 482 HD22 LEU 65 2HD2 LEU 65 -1.723 0.649 -1.125 483 HD23 LEU 65 3HD2 LEU 65 -0.090 0.039 -1.395 484 H VAL 66 H VAL 66 -1.018 5.206 -3.889 485 HA VAL 66 HA VAL 66 -2.884 5.743 -1.684 486 HB VAL 66 HB VAL 66 -2.583 7.155 -4.338 487 HG11 VAL 66 1HG1 VAL 66 -4.745 7.102 -2.450 488 HG12 VAL 66 2HG1 VAL 66 -4.047 8.721 -2.531 489 HG13 VAL 66 3HG1 VAL 66 -4.634 7.938 -3.999 490 HG21 VAL 66 1HG2 VAL 66 -2.071 8.408 -1.677 491 HG22 VAL 66 2HG2 VAL 66 -0.827 7.398 -2.414 492 HG23 VAL 66 3HG2 VAL 66 -1.418 8.827 -3.261 493 H VAL 67 H VAL 67 -4.896 4.949 -1.699 494 HA VAL 67 HA VAL 67 -5.826 3.604 -4.153 495 HB VAL 67 HB VAL 67 -6.472 2.876 -1.292 496 HG11 VAL 67 1HG1 VAL 67 -8.327 2.062 -2.278 497 HG12 VAL 67 2HG1 VAL 67 -7.608 2.083 -3.890 498 HG13 VAL 67 3HG1 VAL 67 -7.249 0.761 -2.780 499 HG21 VAL 67 1HG2 VAL 67 -5.274 0.704 -2.463 500 HG22 VAL 67 2HG2 VAL 67 -4.352 2.054 -3.123 501 HG23 VAL 67 3HG2 VAL 67 -4.485 1.848 -1.377 502 H ARG 68 H ARG 68 -7.289 4.885 -5.089 503 HA ARG 68 HA ARG 68 -9.043 6.558 -3.494 504 HB2 ARG 68 1HB ARG 68 -8.471 6.283 -6.426 505 HB3 ARG 68 2HB ARG 68 -9.914 7.130 -5.887 506 HG2 ARG 68 1HG ARG 68 -8.408 8.577 -4.484 507 HG3 ARG 68 2HG ARG 68 -7.048 7.834 -5.328 508 HD2 ARG 68 1HD ARG 68 -7.373 9.672 -6.646 509 HD3 ARG 68 2HD ARG 68 -8.437 8.524 -7.458 510 HE ARG 68 HE ARG 68 -10.226 9.804 -6.835 511 HH11 ARG 68 2HH1 ARG 68 -7.471 10.691 -4.901 512 HH12 ARG 68 1HH1 ARG 68 -8.261 12.044 -4.162 513 HH21 ARG 68 2HH2 ARG 68 -11.277 11.583 -5.869 514 HH22 ARG 68 1HH2 ARG 68 -10.426 12.550 -4.713 515 H ASN 69 H ASN 69 -11.391 6.606 -3.973 516 HA ASN 69 HA ASN 69 -13.440 5.620 -4.045 517 HB2 ASN 69 1HB ASN 69 -12.813 5.039 -6.356 518 HB3 ASN 69 2HB ASN 69 -12.050 3.562 -5.776 519 HD21 ASN 69 1HD2 ASN 69 -15.116 5.269 -6.008 520 HD22 ASN 69 2HD2 ASN 69 -16.112 3.857 -6.000 521 H LEU 70 H LEU 70 -12.172 5.195 -1.751 522 HA LEU 70 HA LEU 70 -11.728 2.509 -1.019 523 HB2 LEU 70 1HB LEU 70 -12.411 4.956 0.590 524 HB3 LEU 70 2HB LEU 70 -12.078 3.389 1.326 525 HG LEU 70 HG LEU 70 -10.133 4.952 -0.372 526 HD11 LEU 70 1HD1 LEU 70 -9.019 5.557 1.635 527 HD12 LEU 70 2HD1 LEU 70 -10.078 4.538 2.608 528 HD13 LEU 70 3HD1 LEU 70 -10.717 5.989 1.837 529 HD21 LEU 70 1HD2 LEU 70 -9.009 3.043 -0.494 530 HD22 LEU 70 2HD2 LEU 70 -10.203 2.224 0.514 531 HD23 LEU 70 3HD2 LEU 70 -8.847 3.070 1.262 532 H ARG 71 H ARG 71 -13.018 1.128 0.308 533 HA ARG 71 HA ARG 71 -15.860 1.728 0.512 534 HB2 ARG 71 1HB ARG 71 -14.725 -0.539 -1.116 535 HB3 ARG 71 2HB ARG 71 -16.359 -0.585 -0.467 536 HG2 ARG 71 1HG ARG 71 -15.331 1.598 -2.264 537 HG3 ARG 71 2HG ARG 71 -16.195 0.169 -2.835 538 HD2 ARG 71 1HD ARG 71 -17.265 2.173 -0.851 539 HD3 ARG 71 2HD ARG 71 -17.665 2.132 -2.568 540 HE ARG 71 HE ARG 71 -18.354 -0.331 -1.803 541 HH11 ARG 71 2HH1 ARG 71 -19.007 2.778 -0.380 542 HH12 ARG 71 1HH1 ARG 71 -20.522 2.291 0.307 543 HH21 ARG 71 2HH2 ARG 71 -20.346 -0.984 -0.905 544 HH22 ARG 71 1HH2 ARG 71 -21.282 0.150 0.008 545 HA PRO 72 HA PRO 72 -15.584 -0.515 4.273 546 HB2 PRO 72 1HB PRO 72 -18.069 -1.593 4.454 547 HB3 PRO 72 2HB PRO 72 -17.750 0.130 4.688 548 HG2 PRO 72 1HG PRO 72 -18.777 -1.294 2.263 549 HG3 PRO 72 2HG PRO 72 -19.319 0.237 2.974 550 HD2 PRO 72 1HD PRO 72 -17.688 0.130 0.815 551 HD3 PRO 72 2HD PRO 72 -17.600 1.436 2.015 552 H GLN 73 H GLN 73 -16.375 -2.177 1.340 553 HA GLN 73 HA GLN 73 -15.894 -4.784 2.597 554 HB2 GLN 73 1HB GLN 73 -16.861 -5.776 0.627 555 HB3 GLN 73 2HB GLN 73 -17.935 -4.507 1.203 556 HG2 GLN 73 1HG GLN 73 -15.935 -3.764 -0.848 557 HG3 GLN 73 2HG GLN 73 -17.278 -4.787 -1.354 558 HE21 GLN 73 1HE2 GLN 73 -18.493 -3.418 -2.500 559 HE22 GLN 73 2HE2 GLN 73 -19.160 -1.943 -1.898 560 H ASP 74 H ASP 74 -14.531 -2.464 0.430 561 HA ASP 74 HA ASP 74 -12.781 -4.032 -1.059 562 HB2 ASP 74 1HB ASP 74 -13.135 -1.666 -1.534 563 HB3 ASP 74 2HB ASP 74 -12.378 -1.225 -0.006 564 H SER 75 H SER 75 -12.472 -2.762 2.211 565 HA SER 75 HA SER 75 -9.864 -3.071 2.829 566 HB2 SER 75 1HB SER 75 -12.313 -3.794 4.424 567 HB3 SER 75 2HB SER 75 -10.696 -3.972 5.105 568 HG SER 75 HG SER 75 -11.940 -1.873 5.358 569 H GLY 76 H GLY 76 -8.474 -4.613 2.280 570 HA2 GLY 76 1HA GLY 76 -9.229 -7.410 2.801 571 HA3 GLY 76 2HA GLY 76 -8.546 -6.971 1.243 572 H ARG 77 H ARG 77 -6.659 -8.092 1.334 573 HA ARG 77 HA ARG 77 -4.829 -7.414 3.543 574 HB2 ARG 77 1HB ARG 77 -5.652 -9.869 3.164 575 HB3 ARG 77 2HB ARG 77 -4.484 -9.863 1.850 576 HG2 ARG 77 1HG ARG 77 -2.718 -9.257 3.459 577 HG3 ARG 77 2HG ARG 77 -3.905 -9.360 4.761 578 HD2 ARG 77 1HD ARG 77 -2.590 -11.409 4.600 579 HD3 ARG 77 2HD ARG 77 -4.288 -11.711 4.237 580 HE ARG 77 HE ARG 77 -3.280 -11.341 1.793 581 HH11 ARG 77 2HH1 ARG 77 -2.157 -13.260 4.472 582 HH12 ARG 77 1HH1 ARG 77 -1.407 -14.457 3.468 583 HH21 ARG 77 2HH2 ARG 77 -2.297 -12.910 0.461 584 HH22 ARG 77 1HH2 ARG 77 -1.486 -14.256 1.188 585 H TYR 78 H TYR 78 -3.630 -5.778 2.747 586 HA TYR 78 HA TYR 78 -2.655 -5.871 0.007 587 HB2 TYR 78 1HB TYR 78 -2.599 -3.789 2.178 588 HB3 TYR 78 2HB TYR 78 -1.613 -3.620 0.730 589 HD1 TYR 78 2HD TYR 78 -5.146 -4.229 1.768 590 HD2 TYR 78 1HD TYR 78 -2.512 -2.566 -1.129 591 HE1 TYR 78 2HE TYR 78 -7.072 -3.267 0.579 592 HE2 TYR 78 1HE TYR 78 -4.430 -1.598 -2.327 593 HH TYR 78 HH TYR 78 -7.756 -2.114 -1.188 594 H SER 79 H SER 79 -0.733 -6.644 -0.538 595 HA SER 79 HA SER 79 1.354 -6.821 1.536 596 HB2 SER 79 1HB SER 79 0.711 -8.827 -0.638 597 HB3 SER 79 2HB SER 79 2.130 -8.908 0.406 598 HG SER 79 HG SER 79 -0.590 -9.212 1.084 599 H CYS 80 H CYS 80 3.333 -6.079 1.014 600 HA CYS 80 HA CYS 80 3.710 -5.093 -1.733 601 HB2 CYS 80 1HB CYS 80 3.689 -3.520 0.374 602 HB3 CYS 80 2HB CYS 80 5.337 -4.101 0.576 603 HG CYS 80 HG CYS 80 6.190 -3.196 -1.940 604 H SER 81 H SER 81 5.156 -6.122 -2.929 605 HA SER 81 HA SER 81 7.133 -7.832 -1.601 606 HB2 SER 81 1HB SER 81 5.523 -8.694 -3.420 607 HB3 SER 81 2HB SER 81 6.545 -7.814 -4.556 608 HG SER 81 HG SER 81 7.095 -10.098 -3.056 609 H PHE 82 H PHE 82 9.258 -7.430 -1.687 610 HA PHE 82 HA PHE 82 10.479 -5.886 -3.759 611 HB2 PHE 82 1HB PHE 82 9.890 -3.900 -2.771 612 HB3 PHE 82 2HB PHE 82 9.797 -4.605 -1.161 613 HD1 PHE 82 1HD PHE 82 11.991 -3.105 -3.668 614 HD2 PHE 82 2HD PHE 82 11.756 -4.779 0.239 615 HE1 PHE 82 1HE PHE 82 14.208 -2.178 -3.140 616 HE2 PHE 82 2HE PHE 82 13.972 -3.854 0.772 617 HZ PHE 82 HZ PHE 82 15.201 -2.551 -0.918 618 H GLY 83 H GLY 83 12.339 -6.905 -4.062 619 HA2 GLY 83 1HA GLY 83 14.453 -7.717 -3.565 620 HA3 GLY 83 2HA GLY 83 14.159 -7.354 -1.871 621 H ASP 84 H ASP 84 14.027 -9.048 -0.571 622 HA ASP 84 HA ASP 84 13.270 -11.645 -1.741 623 HB2 ASP 84 1HB ASP 84 15.291 -10.890 0.335 624 HB3 ASP 84 2HB ASP 84 14.551 -12.487 0.394 625 H GLN 85 H GLN 85 12.999 -9.579 1.116 626 HA GLN 85 HA GLN 85 11.060 -11.321 2.360 627 HB2 GLN 85 1HB GLN 85 11.958 -8.537 3.122 628 HB3 GLN 85 2HB GLN 85 10.962 -9.598 4.110 629 HG2 GLN 85 1HG GLN 85 13.011 -11.232 3.782 630 HG3 GLN 85 2HG GLN 85 13.867 -9.712 3.531 631 HE21 GLN 85 1HE2 GLN 85 13.944 -8.198 5.227 632 HE22 GLN 85 2HE2 GLN 85 13.681 -8.673 6.867 633 H THR 86 H THR 86 8.910 -10.578 2.977 634 HA THR 86 HA THR 86 7.769 -8.452 1.336 635 HB THR 86 HB THR 86 6.627 -11.252 1.303 636 HG1 THR 86 1HG THR 86 8.377 -9.891 -0.389 637 HG21 THR 86 1HG2 THR 86 5.754 -9.230 -0.653 638 HG22 THR 86 2HG2 THR 86 5.264 -8.926 1.014 639 HG23 THR 86 3HG2 THR 86 4.817 -10.439 0.225 640 H THR 87 H THR 87 6.640 -7.216 2.670 641 HA THR 87 HA THR 87 5.560 -8.351 5.135 642 HB THR 87 HB THR 87 6.903 -6.267 5.257 643 HG1 THR 87 1HG THR 87 5.017 -5.058 6.354 644 HG21 THR 87 1HG2 THR 87 6.073 -5.338 3.078 645 HG22 THR 87 2HG2 THR 87 6.067 -4.189 4.416 646 HG23 THR 87 3HG2 THR 87 4.561 -4.944 3.894 647 H SER 88 H SER 88 3.389 -7.865 5.825 648 HA SER 88 HA SER 88 1.514 -7.105 3.712 649 HB2 SER 88 1HB SER 88 0.089 -9.032 4.109 650 HB3 SER 88 2HB SER 88 1.706 -9.588 3.679 651 HG SER 88 HG SER 88 1.146 -9.220 6.385 652 H ALA 89 H ALA 89 -0.206 -5.961 4.423 653 HA ALA 89 HA ALA 89 -0.722 -5.864 7.314 654 HB1 ALA 89 1HB ALA 89 -1.188 -3.273 6.493 655 HB2 ALA 89 2HB ALA 89 0.213 -3.841 7.402 656 HB3 ALA 89 3HB ALA 89 0.295 -3.713 5.645 657 H THR 90 H THR 90 -2.796 -4.460 7.680 658 HA THR 90 HA THR 90 -4.772 -5.121 5.598 659 HB THR 90 HB THR 90 -5.143 -5.444 8.582 660 HG1 THR 90 1HG THR 90 -5.489 -7.520 6.729 661 HG21 THR 90 1HG2 THR 90 -7.303 -6.615 7.493 662 HG22 THR 90 2HG2 THR 90 -7.042 -5.326 6.318 663 HG23 THR 90 3HG2 THR 90 -7.281 -4.933 8.020 664 H LEU 91 H LEU 91 -6.443 -3.669 5.300 665 HA LEU 91 HA LEU 91 -6.131 -1.097 6.697 666 HB2 LEU 91 1HB LEU 91 -5.690 -1.083 4.264 667 HB3 LEU 91 2HB LEU 91 -7.342 -1.633 3.988 668 HG LEU 91 HG LEU 91 -8.070 0.513 5.167 669 HD11 LEU 91 1HD1 LEU 91 -5.430 0.769 5.752 670 HD12 LEU 91 2HD1 LEU 91 -6.591 2.096 5.742 671 HD13 LEU 91 3HD1 LEU 91 -5.575 1.805 4.331 672 HD21 LEU 91 1HD2 LEU 91 -6.838 1.568 2.806 673 HD22 LEU 91 2HD2 LEU 91 -8.529 1.159 3.095 674 HD23 LEU 91 3HD2 LEU 91 -7.412 -0.070 2.498 675 H THR 92 H THR 92 -7.856 -0.144 7.663 676 HA THR 92 HA THR 92 -10.333 -1.727 7.761 677 HB THR 92 HB THR 92 -9.362 0.353 9.731 678 HG1 THR 92 1HG THR 92 -8.764 -1.391 10.995 679 HG21 THR 92 1HG2 THR 92 -11.251 0.005 10.954 680 HG22 THR 92 2HG2 THR 92 -11.420 -1.667 10.419 681 HG23 THR 92 3HG2 THR 92 -11.916 -0.348 9.360 682 H VAL 93 H VAL 93 -12.183 -0.908 7.005 683 HA VAL 93 HA VAL 93 -12.308 1.983 6.447 684 HB VAL 93 HB VAL 93 -13.460 -0.203 4.708 685 HG11 VAL 93 1HG1 VAL 93 -14.849 1.737 4.606 686 HG12 VAL 93 2HG1 VAL 93 -13.448 2.799 4.445 687 HG13 VAL 93 3HG1 VAL 93 -13.875 1.695 3.136 688 HG21 VAL 93 1HG2 VAL 93 -11.281 1.680 3.892 689 HG22 VAL 93 2HG2 VAL 93 -10.901 0.189 4.752 690 HG23 VAL 93 3HG2 VAL 93 -11.728 0.122 3.196 691 H THR 94 H THR 94 -13.932 2.961 7.445 692 HA THR 94 HA THR 94 -16.069 1.357 8.615 693 HB THR 94 HB THR 94 -15.547 4.313 8.973 694 HG1 THR 94 1HG THR 94 -13.776 3.141 9.756 695 HG21 THR 94 1HG2 THR 94 -17.647 4.101 9.820 696 HG22 THR 94 2HG2 THR 94 -16.758 3.523 11.230 697 HG23 THR 94 3HG2 THR 94 -17.475 2.370 10.104 698 H ALA 95 H ALA 95 -18.086 1.298 7.851 699 HA ALA 95 HA ALA 95 -18.732 2.633 5.400 700 HB1 ALA 95 1HB ALA 95 -19.961 0.573 7.106 701 HB2 ALA 95 2HB ALA 95 -21.086 1.567 6.180 702 HB3 ALA 95 3HB ALA 95 -19.820 0.662 5.350 703 H LEU 96 H LEU 96 -19.635 4.565 5.158 704 HA LEU 96 HA LEU 96 -20.016 6.499 6.947 705 HB2 LEU 96 1HB LEU 96 -21.709 5.850 4.554 706 HB3 LEU 96 2HB LEU 96 -21.961 7.312 5.506 707 HG LEU 96 HG LEU 96 -19.303 6.677 4.257 708 HD11 LEU 96 1HD1 LEU 96 -21.002 6.657 2.487 709 HD12 LEU 96 2HD1 LEU 96 -19.929 8.051 2.360 710 HD13 LEU 96 3HD1 LEU 96 -21.556 8.247 3.012 711 HD21 LEU 96 1HD2 LEU 96 -20.505 9.359 4.859 712 HD22 LEU 96 2HD2 LEU 96 -18.810 8.932 4.619 713 HD23 LEU 96 3HD2 LEU 96 -19.647 8.433 6.090 714 HA PRO 97 HA PRO 97 -23.181 5.435 9.806 715 HB2 PRO 97 1HB PRO 97 -24.035 7.915 10.508 716 HB3 PRO 97 2HB PRO 97 -22.486 7.247 11.036 717 HG2 PRO 97 1HG PRO 97 -23.064 9.153 8.801 718 HG3 PRO 97 2HG PRO 97 -21.755 9.194 9.996 719 HD2 PRO 97 1HD PRO 97 -21.392 8.289 7.470 720 HD3 PRO 97 2HD PRO 97 -20.494 7.638 8.856 721 H SER 98 H SER 98 -25.353 5.057 9.868 722 HA SER 98 HA SER 98 -27.062 6.460 7.935 723 HB2 SER 98 1HB SER 98 -28.128 4.331 7.304 724 HB3 SER 98 2HB SER 98 -26.409 4.325 6.911 725 HG SER 98 HG SER 98 -26.398 2.540 8.020 726 H GLY 99 H GLY 99 -28.482 7.500 9.180 727 HA2 GLY 99 1HA GLY 99 -29.331 6.406 11.725 728 HA3 GLY 99 2HA GLY 99 -29.794 7.960 11.048 729 HA PRO 100 HA PRO 100 -33.296 4.819 10.736 730 HB2 PRO 100 1HB PRO 100 -35.033 6.118 12.370 731 HB3 PRO 100 2HB PRO 100 -33.875 4.919 12.958 732 HG2 PRO 100 1HG PRO 100 -33.696 7.906 13.005 733 HG3 PRO 100 2HG PRO 100 -33.275 6.740 14.273 734 HD2 PRO 100 1HD PRO 100 -31.415 7.897 12.681 735 HD3 PRO 100 2HD PRO 100 -31.234 6.250 13.319 736 H SER 101 H SER 101 -32.685 8.104 10.160 737 HA SER 101 HA SER 101 -35.251 8.796 9.072 738 HB2 SER 101 1HB SER 101 -33.575 10.437 10.042 739 HB3 SER 101 2HB SER 101 -32.628 10.213 8.572 740 HG SER 101 HG SER 101 -34.920 10.711 7.624 741 H SER 102 H SER 102 -32.033 8.326 7.602 742 HA SER 102 HA SER 102 -33.336 7.868 5.018 743 HB2 SER 102 1HB SER 102 -31.490 9.542 5.155 744 HB3 SER 102 2HB SER 102 -30.391 8.241 5.611 745 HG SER 102 HG SER 102 -30.942 8.995 3.200 746 H GLY 103 H GLY 103 -33.961 5.786 4.879 747 HA2 GLY 103 1HA GLY 103 -32.082 3.696 5.746 748 HA3 GLY 103 2HA GLY 103 -33.802 3.471 5.462
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