NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
523215 | 2lbo | 16233 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 -1.202 12.011 -7.122 2 H2 ALA 1 HT2 ALA 1 -2.250 12.787 -6.036 3 H3 ALA 1 HT3 ALA 1 -2.640 12.716 -7.685 4 HA ALA 1 HA ALA 1 -2.715 10.272 -7.503 5 HB1 ALA 1 HB1 ALA 1 -1.362 10.227 -5.386 6 HB2 ALA 1 HB2 ALA 1 -2.800 9.206 -5.405 7 HB3 ALA 1 HB3 ALA 1 -2.821 10.751 -4.539 8 HA PRO 2 HA PRO 2 -6.989 11.419 -7.525 9 HB2 PRO 2 HB2 PRO 2 -7.501 8.600 -8.021 10 HB3 PRO 2 HB1 PRO 2 -7.760 9.982 -9.071 11 HG2 PRO 2 HG2 PRO 2 -5.830 8.211 -9.603 12 HG3 PRO 2 HG1 PRO 2 -5.568 9.949 -9.869 13 HD2 PRO 2 HD2 PRO 2 -4.758 8.289 -7.500 14 HD3 PRO 2 HD1 PRO 2 -3.766 9.399 -8.475 15 H THR 3 HN THR 3 -5.823 8.678 -5.670 16 HA THR 3 HA THR 3 -8.034 9.098 -3.803 17 HB THR 3 HB THR 3 -8.277 6.688 -3.472 18 HG1 THR 3 HG1 THR 3 -7.251 5.563 -5.547 19 HG21 THR 3 HG21 THR 3 -9.776 7.809 -5.030 20 HG22 THR 3 HG22 THR 3 -9.409 6.185 -5.614 21 HG23 THR 3 HG23 THR 3 -8.616 7.586 -6.345 22 H LEU 4 HN LEU 4 -7.584 7.935 -1.660 23 HA LEU 4 HA LEU 4 -5.270 9.169 -0.705 24 HB2 LEU 4 HB2 LEU 4 -7.187 8.937 0.704 25 HB3 LEU 4 HB1 LEU 4 -7.119 7.184 0.590 26 HG LEU 4 HG LEU 4 -4.909 7.277 1.788 27 HD11 LEU 4 HD11 LEU 4 -4.266 9.526 1.266 28 HD12 LEU 4 HD12 LEU 4 -4.479 9.404 3.024 29 HD13 LEU 4 HD13 LEU 4 -5.729 10.161 2.031 30 HD21 LEU 4 HD21 LEU 4 -6.956 6.723 2.987 31 HD22 LEU 4 HD22 LEU 4 -7.294 8.438 3.230 32 HD23 LEU 4 HD23 LEU 4 -5.885 7.699 3.995 33 H GLN 5 HN GLN 5 -5.918 5.770 -1.422 34 HA GLN 5 HA GLN 5 -3.536 4.716 -0.359 35 HB2 GLN 5 HB2 GLN 5 -5.592 3.434 -1.062 36 HB3 GLN 5 HB1 GLN 5 -5.048 3.608 -2.720 37 HG2 GLN 5 HG2 GLN 5 -3.229 2.431 -0.672 38 HG3 GLN 5 HG1 GLN 5 -4.500 1.454 -1.391 39 HE21 GLN 5 HE21 GLN 5 -1.579 1.238 -1.566 40 HE22 GLN 5 HE22 GLN 5 -1.184 1.326 -3.246 41 H GLU 6 HN GLU 6 -4.196 6.295 -3.446 42 HA GLU 6 HA GLU 6 -1.695 5.434 -4.554 43 HB2 GLU 6 HB2 GLU 6 -3.685 6.082 -5.958 44 HB3 GLU 6 HB1 GLU 6 -3.286 7.746 -5.576 45 HG2 GLU 6 HG2 GLU 6 -1.199 7.613 -6.604 46 HG3 GLU 6 HG1 GLU 6 -1.321 5.882 -6.743 47 H ALA 7 HN ALA 7 -2.773 8.141 -2.623 48 HA ALA 7 HA ALA 7 -0.410 9.721 -2.944 49 HB1 ALA 7 HB1 ALA 7 -2.406 9.502 -0.656 50 HB2 ALA 7 HB2 ALA 7 -2.408 10.692 -1.967 51 HB3 ALA 7 HB3 ALA 7 -1.117 10.710 -0.763 52 H LEU 8 HN LEU 8 -1.301 6.898 -1.120 53 HA LEU 8 HA LEU 8 0.995 6.763 0.512 54 HB2 LEU 8 HB2 LEU 8 -0.865 4.685 -0.520 55 HB3 LEU 8 HB1 LEU 8 0.500 4.289 0.496 56 HG LEU 8 HG LEU 8 -2.022 5.690 1.173 57 HD11 LEU 8 HD11 LEU 8 -1.905 4.188 3.071 58 HD12 LEU 8 HD12 LEU 8 -0.303 3.652 2.568 59 HD13 LEU 8 HD13 LEU 8 -1.710 3.291 1.567 60 HD21 LEU 8 HD21 LEU 8 -0.446 7.311 1.898 61 HD22 LEU 8 HD22 LEU 8 0.608 6.060 2.562 62 HD23 LEU 8 HD23 LEU 8 -0.953 6.382 3.316 63 H ASP 9 HN ASP 9 0.175 5.212 -2.571 64 HA ASP 9 HA ASP 9 2.597 4.004 -3.188 65 HB2 ASP 9 HB2 ASP 9 0.439 5.259 -4.878 66 HB3 ASP 9 HB1 ASP 9 1.888 4.601 -5.628 67 H ARG 10 HN ARG 10 1.631 7.325 -3.292 68 HA ARG 10 HA ARG 10 3.833 8.314 -4.852 69 HB2 ARG 10 HB2 ARG 10 1.638 9.551 -3.194 70 HB3 ARG 10 HB1 ARG 10 2.863 10.537 -3.941 71 HG2 ARG 10 HG2 ARG 10 2.241 9.525 -6.103 72 HG3 ARG 10 HG1 ARG 10 0.871 8.787 -5.255 73 HD2 ARG 10 HD2 ARG 10 0.035 10.740 -6.037 74 HD3 ARG 10 HD1 ARG 10 0.387 11.132 -4.401 75 HE ARG 10 HE ARG 10 2.232 11.825 -6.593 76 HH11 ARG 10 HH11 ARG 10 0.330 12.795 -3.802 77 HH12 ARG 10 HH12 ARG 10 1.011 14.392 -3.747 78 HH21 ARG 10 HH21 ARG 10 3.118 13.893 -6.517 79 HH22 ARG 10 HH22 ARG 10 2.600 15.021 -5.291 80 H LYS 11 HN LYS 11 2.918 8.320 -1.463 81 HA LYS 11 HA LYS 11 5.232 9.396 -0.313 82 HB2 LYS 11 HB2 LYS 11 3.163 8.866 0.915 83 HB3 LYS 11 HB1 LYS 11 3.526 7.166 0.734 84 HG2 LYS 11 HG2 LYS 11 4.125 8.027 2.935 85 HG3 LYS 11 HG1 LYS 11 5.498 7.382 2.055 86 HD2 LYS 11 HD2 LYS 11 6.132 9.406 3.135 87 HD3 LYS 11 HD1 LYS 11 6.122 9.654 1.393 88 HE2 LYS 11 HE2 LYS 11 4.236 10.940 1.451 89 HE3 LYS 11 HE1 LYS 11 3.701 10.278 2.981 90 HZ1 LYS 11 HZ1 LYS 11 4.431 12.477 3.394 91 HZ2 LYS 11 HZ2 LYS 11 5.875 12.245 2.537 92 HZ3 LYS 11 HZ3 LYS 11 5.634 11.450 4.018 93 H CYS 12 HN CYS 12 4.341 6.153 -1.234 94 HA CYS 12 HA CYS 12 6.653 4.779 -0.577 95 HB2 CYS 12 HB2 CYS 12 4.523 4.269 -2.626 96 HB3 CYS 12 HB1 CYS 12 5.808 3.120 -2.302 97 HG CYS 12 HG CYS 12 3.200 4.012 -0.345 98 H ALA 13 HN ALA 13 5.883 6.639 -3.425 99 HA ALA 13 HA ALA 13 8.102 5.699 -4.967 100 HB1 ALA 13 HB1 ALA 13 6.215 8.032 -5.219 101 HB2 ALA 13 HB2 ALA 13 6.314 6.567 -6.206 102 HB3 ALA 13 HB3 ALA 13 7.575 7.793 -6.324 103 H GLN 14 HN GLN 14 7.632 7.983 -2.469 104 HA GLN 14 HA GLN 14 9.933 9.592 -3.096 105 HB2 GLN 14 HB2 GLN 14 8.028 9.565 -0.778 106 HB3 GLN 14 HB1 GLN 14 9.364 10.709 -0.934 107 HG2 GLN 14 HG2 GLN 14 8.423 11.435 -3.095 108 HG3 GLN 14 HG1 GLN 14 7.051 10.376 -2.819 109 HE21 GLN 14 HE21 GLN 14 7.201 11.042 0.113 110 HE22 GLN 14 HE22 GLN 14 6.455 12.600 0.239 111 H PHE 15 HN PHE 15 9.177 6.906 -1.013 112 HA PHE 15 HA PHE 15 11.830 7.004 0.216 113 HB2 PHE 15 HB2 PHE 15 9.652 4.940 0.586 114 HB3 PHE 15 HB1 PHE 15 11.124 5.087 1.540 115 HD1 PHE 15 HD2 PHE 15 11.373 7.701 2.414 116 HD2 PHE 15 HD1 PHE 15 7.789 5.544 1.690 117 HE1 PHE 15 HE2 PHE 15 10.179 9.164 3.985 118 HE2 PHE 15 HE1 PHE 15 6.584 6.998 3.240 119 HZ PHE 15 HZ PHE 15 7.779 8.809 4.394 120 H GLY 16 HN GLY 16 9.850 4.756 -1.697 121 HA2 GLY 16 HA2 GLY 16 11.678 2.713 -2.057 122 HA3 GLY 16 HA1 GLY 16 10.417 3.140 -3.202 123 H LYS 17 HN LYS 17 11.043 5.364 -4.339 124 HA LYS 17 HA LYS 17 13.216 4.526 -5.976 125 HB2 LYS 17 HB2 LYS 17 11.802 7.151 -6.183 126 HB3 LYS 17 HB1 LYS 17 12.530 6.183 -7.461 127 HG2 LYS 17 HG2 LYS 17 10.069 5.448 -5.899 128 HG3 LYS 17 HG1 LYS 17 10.090 6.138 -7.509 129 HD2 LYS 17 HD2 LYS 17 11.412 4.126 -8.253 130 HD3 LYS 17 HD1 LYS 17 11.101 3.418 -6.660 131 HE2 LYS 17 HE2 LYS 17 9.476 2.644 -8.307 132 HE3 LYS 17 HE1 LYS 17 8.706 3.595 -7.039 133 HZ1 LYS 17 HZ1 LYS 17 8.973 5.537 -8.676 134 HZ2 LYS 17 HZ2 LYS 17 7.759 4.393 -8.977 135 HZ3 LYS 17 HZ3 LYS 17 9.207 4.338 -9.853 136 H GLU 18 HN GLU 18 12.824 6.689 -3.328 137 HA GLU 18 HA GLU 18 15.175 8.200 -3.561 138 HB2 GLU 18 HB2 GLU 18 13.851 8.844 -1.788 139 HB3 GLU 18 HB1 GLU 18 13.529 7.192 -1.285 140 HG2 GLU 18 HG2 GLU 18 16.326 7.939 -1.018 141 HG3 GLU 18 HG1 GLU 18 15.245 8.966 -0.079 142 H SER 19 HN SER 19 14.619 4.960 -2.243 143 HA SER 19 HA SER 19 17.315 4.339 -1.719 144 HB2 SER 19 HB2 SER 19 15.098 2.449 -2.488 145 HB3 SER 19 HB1 SER 19 16.574 2.053 -1.597 146 HG SER 19 HG SER 19 15.241 4.104 -0.422 147 H CYS 20 HN CYS 20 15.277 3.952 -4.544 148 HA CYS 20 HA CYS 20 17.104 2.702 -6.243 149 HB2 CYS 20 HB2 CYS 20 15.165 2.761 -7.370 150 HB3 CYS 20 HB1 CYS 20 14.595 4.159 -6.476 151 HG CYS 20 HG CYS 20 15.392 6.035 -8.197 152 H ASN 21 HN ASN 21 16.608 6.131 -5.495 153 HA ASN 21 HA ASN 21 18.559 7.155 -7.268 154 HB2 ASN 21 HB2 ASN 21 17.145 8.210 -4.863 155 HB3 ASN 21 HB1 ASN 21 18.568 9.063 -5.449 156 HD21 ASN 21 HD21 ASN 21 15.291 8.165 -6.115 157 HD22 ASN 21 HD22 ASN 21 15.053 9.241 -7.454 158 H SER 22 HN SER 22 18.748 5.668 -4.161 159 HA SER 22 HA SER 22 21.442 6.550 -3.619 160 HB2 SER 22 HB2 SER 22 19.839 4.394 -2.232 161 HB3 SER 22 HB1 SER 22 21.273 5.220 -1.618 162 HG SER 22 HG SER 22 18.813 6.507 -2.251 163 H GLY 23 HN GLY 23 20.020 4.189 -5.552 164 HA2 GLY 23 HA2 GLY 23 21.739 3.194 -7.068 165 HA3 GLY 23 HA1 GLY 23 22.552 2.670 -5.603 166 H LEU 24 HN LEU 24 19.412 2.353 -4.848 167 HA LEU 24 HA LEU 24 19.506 -0.469 -4.987 168 HB2 LEU 24 HB2 LEU 24 17.859 1.511 -3.776 169 HB3 LEU 24 HB1 LEU 24 16.826 0.404 -4.651 170 HG LEU 24 HG LEU 24 17.299 -0.121 -2.195 171 HD11 LEU 24 HD11 LEU 24 16.231 -1.713 -3.602 172 HD12 LEU 24 HD12 LEU 24 17.458 -2.550 -2.653 173 HD13 LEU 24 HD13 LEU 24 17.762 -2.166 -4.349 174 HD21 LEU 24 HD21 LEU 24 19.353 -1.362 -1.757 175 HD22 LEU 24 HD22 LEU 24 19.696 0.298 -2.242 176 HD23 LEU 24 HD23 LEU 24 19.911 -1.020 -3.397 177 H ALA 25 HN ALA 25 19.514 -1.446 -6.840 178 HA ALA 25 HA ALA 25 18.482 -0.521 -9.267 179 HB1 ALA 25 HB1 ALA 25 18.988 -3.365 -8.440 180 HB2 ALA 25 HB2 ALA 25 20.211 -2.242 -9.041 181 HB3 ALA 25 HB3 ALA 25 18.890 -2.757 -10.093 182 H SER 26 HN SER 26 17.018 -2.414 -6.746 183 HA SER 26 HA SER 26 14.876 -3.536 -8.032 184 HB2 SER 26 HB2 SER 26 15.282 -2.602 -5.282 185 HB3 SER 26 HB1 SER 26 13.749 -3.303 -5.772 186 HG SER 26 HG SER 26 15.021 -4.947 -4.983 187 H TYR 27 HN TYR 27 14.792 -0.407 -6.289 188 HA TYR 27 HA TYR 27 12.122 0.102 -7.202 189 HB2 TYR 27 HB2 TYR 27 13.974 2.169 -6.000 190 HB3 TYR 27 HB1 TYR 27 12.212 2.100 -5.957 191 HD1 TYR 27 HD2 TYR 27 11.116 0.226 -4.618 192 HD2 TYR 27 HD1 TYR 27 15.242 1.264 -4.279 193 HE1 TYR 27 HE2 TYR 27 11.219 -0.932 -2.460 194 HE2 TYR 27 HE1 TYR 27 15.354 0.079 -2.127 195 HH TYR 27 HH TYR 27 13.802 -0.572 -0.305 196 H CYS 28 HN CYS 28 15.192 0.530 -8.586 197 HA CYS 28 HA CYS 28 14.829 2.971 -9.945 198 HB2 CYS 28 HB2 CYS 28 17.017 1.843 -9.590 199 HB3 CYS 28 HB1 CYS 28 16.547 0.629 -10.773 200 HG CYS 28 HG CYS 28 16.442 2.406 -12.919 201 H GLY 29 HN GLY 29 13.147 3.322 -11.226 202 HA2 GLY 29 HA2 GLY 29 11.785 3.153 -13.077 203 HA3 GLY 29 HA1 GLY 29 12.826 1.864 -13.656 204 H ALA 30 HN ALA 30 11.473 1.568 -10.510 205 HA ALA 30 HA ALA 30 9.801 -0.648 -11.449 206 HB1 ALA 30 HB1 ALA 30 11.406 -1.235 -9.753 207 HB2 ALA 30 HB2 ALA 30 9.779 -1.340 -9.079 208 HB3 ALA 30 HB3 ALA 30 10.806 0.043 -8.694 209 H ALA 31 HN ALA 31 7.758 -1.003 -10.298 210 HA ALA 31 HA ALA 31 6.260 1.482 -9.884 211 HB1 ALA 31 HB1 ALA 31 5.299 -1.355 -10.195 212 HB2 ALA 31 HB2 ALA 31 5.397 -0.158 -11.494 213 HB3 ALA 31 HB3 ALA 31 4.296 0.099 -10.142 214 H ILE 32 HN ILE 32 6.403 2.105 -7.703 215 HA ILE 32 HA ILE 32 6.379 -0.106 -5.780 216 HB ILE 32 HB ILE 32 8.269 1.516 -5.567 217 HG12 ILE 32 HG12 ILE 32 6.623 1.808 -3.094 218 HG13 ILE 32 HG11 ILE 32 6.994 0.182 -3.648 219 HG21 ILE 32 HG21 ILE 32 6.075 3.412 -4.776 220 HG22 ILE 32 HG22 ILE 32 7.112 3.528 -6.202 221 HG23 ILE 32 HG23 ILE 32 7.803 3.707 -4.584 222 HD11 ILE 32 HD11 ILE 32 9.345 0.609 -3.494 223 HD12 ILE 32 HD12 ILE 32 8.566 1.034 -1.964 224 HD13 ILE 32 HD13 ILE 32 9.043 2.304 -3.091 225 H TYR 33 HN TYR 33 4.929 -0.296 -4.194 226 HA TYR 33 HA TYR 33 2.581 1.481 -4.327 227 HB2 TYR 33 HB2 TYR 33 2.528 -1.535 -4.163 228 HB3 TYR 33 HB1 TYR 33 1.134 -0.468 -4.218 229 HD1 TYR 33 HD1 TYR 33 0.665 0.824 -6.319 230 HD2 TYR 33 HD2 TYR 33 3.608 -2.240 -6.137 231 HE1 TYR 33 HE1 TYR 33 0.616 0.628 -8.778 232 HE2 TYR 33 HE2 TYR 33 3.586 -2.432 -8.578 233 HH TYR 33 HH TYR 33 2.163 -1.969 -10.455 234 H ALA 34 HN ALA 34 1.359 1.622 -2.425 235 HA ALA 34 HA ALA 34 2.802 0.953 0.012 236 HB1 ALA 34 HB1 ALA 34 1.473 3.122 -0.471 237 HB2 ALA 34 HB2 ALA 34 1.382 2.378 1.134 238 HB3 ALA 34 HB3 ALA 34 0.062 2.143 -0.027 239 H ARG 35 HN ARG 35 2.544 -0.975 0.926 240 HA ARG 35 HA ARG 35 -0.184 -2.012 0.990 241 HB2 ARG 35 HB2 ARG 35 1.630 -3.168 -0.669 242 HB3 ARG 35 HB1 ARG 35 1.932 -4.081 0.801 243 HG2 ARG 35 HG2 ARG 35 0.308 -5.211 -0.576 244 HG3 ARG 35 HG1 ARG 35 -0.436 -4.663 0.925 245 HD2 ARG 35 HD2 ARG 35 -1.908 -4.219 -0.947 246 HD3 ARG 35 HD1 ARG 35 -1.337 -2.701 -0.258 247 HE ARG 35 HE ARG 35 0.391 -3.421 -2.335 248 HH11 ARG 35 HH11 ARG 35 -2.966 -2.489 -1.991 249 HH12 ARG 35 HH12 ARG 35 -3.047 -1.759 -3.566 250 HH21 ARG 35 HH21 ARG 35 0.260 -2.446 -4.409 251 HH22 ARG 35 HH22 ARG 35 -1.236 -1.735 -4.923 252 H TYR 36 HN TYR 36 -0.799 -2.131 2.969 253 HA TYR 36 HA TYR 36 0.945 -2.348 5.240 254 HB2 TYR 36 HB2 TYR 36 -1.353 -1.238 5.188 255 HB3 TYR 36 HB1 TYR 36 -2.041 -2.855 5.128 256 HD1 TYR 36 HD1 TYR 36 0.275 -0.774 7.118 257 HD2 TYR 36 HD2 TYR 36 -2.556 -3.950 7.138 258 HE1 TYR 36 HE1 TYR 36 0.408 -0.839 9.555 259 HE2 TYR 36 HE2 TYR 36 -2.449 -4.020 9.591 260 HH TYR 36 HH TYR 36 -1.039 -1.555 11.442 261 H ASP 37 HN ASP 37 2.111 -4.246 4.760 262 HA ASP 37 HA ASP 37 0.720 -6.725 5.249 263 HB2 ASP 37 HB2 ASP 37 1.050 -6.041 2.602 264 HB3 ASP 37 HB1 ASP 37 2.507 -6.979 2.931 265 H LYS 38 HN LYS 38 2.759 -8.488 4.637 266 HA LYS 38 HA LYS 38 4.549 -7.905 6.797 267 HB2 LYS 38 HB2 LYS 38 3.519 -10.093 6.393 268 HB3 LYS 38 HB1 LYS 38 4.356 -10.209 4.862 269 HG2 LYS 38 HG2 LYS 38 6.454 -9.889 6.318 270 HG3 LYS 38 HG1 LYS 38 5.397 -10.431 7.624 271 HD2 LYS 38 HD2 LYS 38 6.000 -11.874 5.066 272 HD3 LYS 38 HD1 LYS 38 6.541 -12.332 6.690 273 HE2 LYS 38 HE2 LYS 38 4.113 -12.544 7.300 274 HE3 LYS 38 HE1 LYS 38 3.741 -12.329 5.588 275 HZ1 LYS 38 HZ1 LYS 38 5.228 -14.289 5.177 276 HZ2 LYS 38 HZ2 LYS 38 3.788 -14.635 5.997 277 HZ3 LYS 38 HZ3 LYS 38 5.249 -14.543 6.855 278 H GLY 39 HN GLY 39 6.809 -7.954 6.608 279 HA2 GLY 39 HA2 GLY 39 7.781 -6.937 4.024 280 HA3 GLY 39 HA1 GLY 39 8.553 -6.657 5.579 281 H ASN 40 HN ASN 40 10.502 -7.580 5.437 282 HA ASN 40 HA ASN 40 11.037 -9.998 4.036 283 HB2 ASN 40 HB2 ASN 40 12.777 -8.293 4.465 284 HB3 ASN 40 HB1 ASN 40 12.641 -8.589 6.199 285 HD21 ASN 40 HD21 ASN 40 14.805 -9.146 6.366 286 HD22 ASN 40 HD22 ASN 40 15.421 -10.650 5.748 287 H SER 41 HN SER 41 12.032 -11.939 5.322 288 HA SER 41 HA SER 41 9.895 -13.146 6.616 289 HB2 SER 41 HB2 SER 41 11.842 -14.293 5.504 290 HB3 SER 41 HB1 SER 41 12.785 -13.962 6.958 291 HG SER 41 HG SER 41 10.282 -15.281 7.072 292 H SER 42 HN SER 42 12.834 -11.759 8.082 293 HA SER 42 HA SER 42 11.932 -12.269 10.758 294 HB2 SER 42 HB2 SER 42 14.156 -10.441 9.821 295 HB3 SER 42 HB1 SER 42 13.950 -11.112 11.440 296 HG SER 42 HG SER 42 15.364 -12.464 10.505 297 H GLN 43 HN GLN 43 11.035 -10.056 8.484 298 HA GLN 43 HA GLN 43 10.479 -7.910 10.414 299 HB2 GLN 43 HB2 GLN 43 10.619 -7.754 7.397 300 HB3 GLN 43 HB1 GLN 43 10.282 -6.410 8.477 301 HG2 GLN 43 HG2 GLN 43 12.843 -7.952 8.216 302 HG3 GLN 43 HG1 GLN 43 12.552 -6.266 7.794 303 HE21 GLN 43 HE21 GLN 43 12.324 -4.739 9.470 304 HE22 GLN 43 HE22 GLN 43 12.928 -5.060 11.063 305 H GLN 44 HN GLN 44 8.902 -10.292 10.175 306 HA GLN 44 HA GLN 44 6.655 -10.027 8.547 307 HB2 GLN 44 HB2 GLN 44 5.627 -11.732 9.860 308 HB3 GLN 44 HB1 GLN 44 7.324 -12.118 9.680 309 HG2 GLN 44 HG2 GLN 44 6.019 -10.907 12.084 310 HG3 GLN 44 HG1 GLN 44 6.427 -12.600 11.895 311 HE21 GLN 44 HE21 GLN 44 8.987 -12.280 10.720 312 HE22 GLN 44 HE22 GLN 44 10.035 -11.625 11.932 313 H THR 45 HN THR 45 4.455 -10.342 10.321 314 HA THR 45 HA THR 45 2.685 -9.140 10.953 315 HB THR 45 HB THR 45 2.941 -7.320 12.614 316 HG1 THR 45 HG1 THR 45 5.492 -7.318 11.756 317 HG21 THR 45 HG21 THR 45 2.732 -9.626 13.324 318 HG22 THR 45 HG22 THR 45 3.809 -8.745 14.406 319 HG23 THR 45 HG23 THR 45 4.478 -9.843 13.199 320 H LYS 46 HN LYS 46 1.361 -7.722 10.007 321 HA LYS 46 HA LYS 46 2.400 -6.225 7.837 322 HB2 LYS 46 HB2 LYS 46 -0.354 -6.025 9.004 323 HB3 LYS 46 HB1 LYS 46 0.149 -5.454 7.434 324 HG2 LYS 46 HG2 LYS 46 0.813 -8.001 7.135 325 HG3 LYS 46 HG1 LYS 46 -0.452 -8.199 8.346 326 HD2 LYS 46 HD2 LYS 46 -1.940 -6.809 6.893 327 HD3 LYS 46 HD1 LYS 46 -0.688 -6.833 5.674 328 HE2 LYS 46 HE2 LYS 46 -0.797 -9.387 5.863 329 HE3 LYS 46 HE1 LYS 46 -2.327 -9.115 6.691 330 HZ1 LYS 46 HZ1 LYS 46 -2.749 -9.468 4.369 331 HZ2 LYS 46 HZ2 LYS 46 -1.627 -8.278 3.925 332 HZ3 LYS 46 HZ3 LYS 46 -3.057 -7.841 4.719 333 H GLU 47 HN GLU 47 3.193 -4.325 7.820 334 HA GLU 47 HA GLU 47 2.004 -2.176 9.390 335 HB2 GLU 47 HB2 GLU 47 5.001 -2.584 9.182 336 HB3 GLU 47 HB1 GLU 47 4.194 -1.181 9.878 337 HG2 GLU 47 HG2 GLU 47 3.278 -2.520 11.642 338 HG3 GLU 47 HG1 GLU 47 3.893 -3.980 10.892 339 H TRP 48 HN TRP 48 2.140 -0.179 8.251 340 HA TRP 48 HA TRP 48 2.055 -0.372 5.495 341 HB2 TRP 48 HB2 TRP 48 2.450 1.939 7.348 342 HB3 TRP 48 HB1 TRP 48 2.571 2.154 5.606 343 HD1 TRP 48 HD1 TRP 48 0.108 2.397 8.264 344 HE1 TRP 48 HE1 TRP 48 -2.272 2.346 7.282 345 HE3 TRP 48 HE3 TRP 48 1.179 0.654 3.582 346 HZ2 TRP 48 HZ2 TRP 48 -3.538 1.607 4.862 347 HZ3 TRP 48 HZ3 TRP 48 -0.666 0.288 2.005 348 HH2 TRP 48 HH2 TRP 48 -2.974 0.752 2.633 349 H ARG 49 HN ARG 49 3.612 -0.962 4.212 350 HA ARG 49 HA ARG 49 6.236 0.278 4.577 351 HB2 ARG 49 HB2 ARG 49 5.627 -2.617 3.948 352 HB3 ARG 49 HB1 ARG 49 7.208 -1.891 3.697 353 HG2 ARG 49 HG2 ARG 49 7.535 -1.557 5.999 354 HG3 ARG 49 HG1 ARG 49 5.843 -1.871 6.369 355 HD2 ARG 49 HD2 ARG 49 6.150 -4.200 5.614 356 HD3 ARG 49 HD1 ARG 49 7.856 -3.859 5.336 357 HE ARG 49 HE ARG 49 8.022 -3.437 7.750 358 HH11 ARG 49 HH11 ARG 49 5.313 -5.289 6.573 359 HH12 ARG 49 HH12 ARG 49 5.078 -6.124 8.082 360 HH21 ARG 49 HH21 ARG 49 7.720 -4.550 9.728 361 HH22 ARG 49 HH22 ARG 49 6.447 -5.725 9.844 362 H CYS 50 HN CYS 50 7.476 0.219 2.520 363 HA CYS 50 HA CYS 50 5.627 0.640 0.289 364 HB2 CYS 50 HB2 CYS 50 8.553 1.404 0.583 365 HB3 CYS 50 HB1 CYS 50 7.480 1.882 -0.733 366 HG CYS 50 HG CYS 50 5.757 3.261 1.167 367 H TYR 51 HN TYR 51 5.457 -0.921 -1.118 368 HA TYR 51 HA TYR 51 7.660 -2.859 -1.412 369 HB2 TYR 51 HB2 TYR 51 4.695 -3.371 -1.667 370 HB3 TYR 51 HB1 TYR 51 5.961 -4.565 -1.889 371 HD1 TYR 51 HD1 TYR 51 7.688 -4.147 0.417 372 HD2 TYR 51 HD2 TYR 51 3.466 -3.998 0.103 373 HE1 TYR 51 HE1 TYR 51 7.503 -4.748 2.795 374 HE2 TYR 51 HE2 TYR 51 3.257 -4.590 2.481 375 HH TYR 51 HH TYR 51 4.681 -5.796 4.194 376 H ILE 52 HN ILE 52 8.516 -2.669 -3.418 377 HA ILE 52 HA ILE 52 7.038 -1.421 -5.501 378 HB ILE 52 HB ILE 52 8.934 -2.537 -6.943 379 HG12 ILE 52 HG12 ILE 52 10.096 -2.497 -4.198 380 HG13 ILE 52 HG11 ILE 52 9.753 -3.950 -5.149 381 HG21 ILE 52 HG21 ILE 52 9.558 -0.313 -5.021 382 HG22 ILE 52 HG22 ILE 52 8.564 -0.119 -6.471 383 HG23 ILE 52 HG23 ILE 52 10.261 -0.579 -6.619 384 HD11 ILE 52 HD11 ILE 52 11.560 -1.746 -6.111 385 HD12 ILE 52 HD12 ILE 52 11.367 -3.392 -6.761 386 HD13 ILE 52 HD13 ILE 52 12.132 -3.149 -5.192 387 H GLU 53 HN GLU 53 6.341 -2.456 -7.485 388 HA GLU 53 HA GLU 53 4.575 -4.505 -7.077 389 HB2 GLU 53 HB2 GLU 53 4.498 -3.033 -9.000 390 HB3 GLU 53 HB1 GLU 53 5.962 -3.753 -9.654 391 HG2 GLU 53 HG2 GLU 53 4.828 -5.878 -9.902 392 HG3 GLU 53 HG1 GLU 53 3.362 -5.188 -9.182 393 H LYS 54 HN LYS 54 7.940 -4.684 -7.925 394 HA LYS 54 HA LYS 54 8.415 -7.263 -8.612 395 HB2 LYS 54 HB2 LYS 54 9.862 -5.349 -6.807 396 HB3 LYS 54 HB1 LYS 54 10.506 -6.953 -7.050 397 HG2 LYS 54 HG2 LYS 54 10.502 -6.487 -9.516 398 HG3 LYS 54 HG1 LYS 54 10.069 -4.821 -9.120 399 HD2 LYS 54 HD2 LYS 54 12.474 -5.009 -9.448 400 HD3 LYS 54 HD1 LYS 54 12.117 -4.635 -7.762 401 HE2 LYS 54 HE2 LYS 54 12.359 -7.015 -7.199 402 HE3 LYS 54 HE1 LYS 54 12.771 -7.361 -8.875 403 HZ1 LYS 54 HZ1 LYS 54 14.752 -7.194 -7.539 404 HZ2 LYS 54 HZ2 LYS 54 14.324 -5.644 -7.011 405 HZ3 LYS 54 HZ3 LYS 54 14.711 -5.902 -8.641 406 H GLU 55 HN GLU 55 7.607 -6.036 -5.441 407 HA GLU 55 HA GLU 55 8.312 -8.549 -4.141 408 HB2 GLU 55 HB2 GLU 55 7.523 -5.876 -2.988 409 HB3 GLU 55 HB1 GLU 55 8.215 -7.216 -2.094 410 HG2 GLU 55 HG2 GLU 55 9.570 -5.773 -4.363 411 HG3 GLU 55 HG1 GLU 55 9.862 -5.444 -2.653 412 H LEU 56 HN LEU 56 5.479 -6.818 -5.122 413 HA LEU 56 HA LEU 56 3.757 -8.076 -3.186 414 HB2 LEU 56 HB2 LEU 56 3.230 -6.359 -5.591 415 HB3 LEU 56 HB1 LEU 56 1.948 -7.114 -4.681 416 HG LEU 56 HG LEU 56 2.765 -5.842 -2.632 417 HD11 LEU 56 HD11 LEU 56 4.165 -3.896 -3.120 418 HD12 LEU 56 HD12 LEU 56 4.345 -4.426 -4.793 419 HD13 LEU 56 HD13 LEU 56 5.019 -5.395 -3.482 420 HD21 LEU 56 HD21 LEU 56 1.789 -4.434 -5.128 421 HD22 LEU 56 HD22 LEU 56 1.851 -3.673 -3.530 422 HD23 LEU 56 HD23 LEU 56 0.823 -5.087 -3.793 423 H ASP 57 HN ASP 57 1.951 -9.332 -3.813 424 HA ASP 57 HA ASP 57 2.248 -10.809 -6.345 425 HB2 ASP 57 HB2 ASP 57 2.821 -12.273 -4.425 426 HB3 ASP 57 HB1 ASP 57 1.252 -11.929 -3.711 427 H PHE 58 HN PHE 58 0.618 -10.322 -7.630 428 HA PHE 58 HA PHE 58 -1.783 -9.120 -6.568 429 HB2 PHE 58 HB2 PHE 58 -0.681 -9.603 -9.300 430 HB3 PHE 58 HB1 PHE 58 -2.391 -9.223 -9.111 431 HD1 PHE 58 HD1 PHE 58 1.019 -7.970 -8.307 432 HD2 PHE 58 HD2 PHE 58 -3.107 -7.058 -8.797 433 HE1 PHE 58 HE1 PHE 58 1.558 -5.572 -8.205 434 HE2 PHE 58 HE2 PHE 58 -2.579 -4.647 -8.709 435 HZ PHE 58 HZ PHE 58 -0.249 -3.905 -8.409 436 H SER 59 HN SER 59 -0.793 -12.223 -6.825 437 HA SER 59 HA SER 59 -3.420 -13.328 -7.378 438 HB2 SER 59 HB2 SER 59 -1.319 -14.500 -8.079 439 HB3 SER 59 HB1 SER 59 -1.003 -14.789 -6.375 440 HG SER 59 HG SER 59 -3.436 -15.537 -7.601 441 H LYS 60 HN LYS 60 -1.804 -11.850 -4.949 442 HA LYS 60 HA LYS 60 -3.454 -13.048 -2.838 443 HB2 LYS 60 HB2 LYS 60 -0.844 -11.728 -2.882 444 HB3 LYS 60 HB1 LYS 60 -1.948 -11.039 -1.719 445 HG2 LYS 60 HG2 LYS 60 -0.855 -12.605 -0.457 446 HG3 LYS 60 HG1 LYS 60 -2.307 -13.476 -0.945 447 HD2 LYS 60 HD2 LYS 60 0.226 -13.650 -2.543 448 HD3 LYS 60 HD1 LYS 60 -0.029 -14.666 -1.126 449 HE2 LYS 60 HE2 LYS 60 -2.016 -15.616 -2.126 450 HE3 LYS 60 HE1 LYS 60 -1.875 -14.526 -3.505 451 HZ1 LYS 60 HZ1 LYS 60 0.111 -16.601 -2.753 452 HZ2 LYS 60 HZ2 LYS 60 0.200 -15.574 -4.100 453 HZ3 LYS 60 HZ3 LYS 60 -1.029 -16.744 -4.001 454 H SER 61 HN SER 61 -5.273 -11.972 -2.273 455 HA SER 61 HA SER 61 -5.796 -9.411 -3.431 456 HB2 SER 61 HB2 SER 61 -7.847 -9.458 -2.022 457 HB3 SER 61 HB1 SER 61 -7.675 -10.865 -3.070 458 HG SER 61 HG SER 61 -7.253 -10.678 -0.269 459 H GLY 62 HN GLY 62 -5.323 -7.512 -2.627 460 HA2 GLY 62 HA2 GLY 62 -3.622 -7.464 -0.302 461 HA3 GLY 62 HA1 GLY 62 -3.957 -6.120 -1.388 462 H ASP 63 HN ASP 63 -5.370 -8.078 1.181 463 HA ASP 63 HA ASP 63 -7.285 -6.043 1.890 464 HB2 ASP 63 HB2 ASP 63 -6.340 -8.515 3.376 465 HB3 ASP 63 HB1 ASP 63 -7.657 -7.476 3.905 466 H GLY 64 HN GLY 64 -4.574 -5.249 1.658 467 HA2 GLY 64 HA2 GLY 64 -4.074 -4.206 4.352 468 HA3 GLY 64 HA1 GLY 64 -2.756 -4.924 3.437 469 H CYS 65 HN CYS 65 -5.298 -3.110 1.922 470 HA CYS 65 HA CYS 65 -3.382 -0.949 1.291 471 HB2 CYS 65 HB2 CYS 65 -6.140 -1.323 0.105 472 HB3 CYS 65 HB1 CYS 65 -4.769 -0.444 -0.567 473 HG CYS 65 HG CYS 65 -5.302 -3.802 -0.501 474 H VAL 66 HN VAL 66 -4.914 1.165 0.972 475 HA VAL 66 HA VAL 66 -6.881 1.238 3.138 476 HB VAL 66 HB VAL 66 -5.188 2.479 4.155 477 HG11 VAL 66 HG11 VAL 66 -3.665 2.534 2.264 478 HG12 VAL 66 HG12 VAL 66 -3.812 4.140 2.990 479 HG13 VAL 66 HG13 VAL 66 -4.659 3.770 1.484 480 HG21 VAL 66 HG21 VAL 66 -7.379 3.699 3.927 481 HG22 VAL 66 HG22 VAL 66 -6.607 4.653 2.656 482 HG23 VAL 66 HG23 VAL 66 -5.969 4.696 4.304 483 H ASP 67 HN ASP 67 -8.644 2.466 2.674 484 HA ASP 67 HA ASP 67 -9.099 2.735 -0.172 485 HB2 ASP 67 HB2 ASP 67 -10.662 1.726 1.668 486 HB3 ASP 67 HB1 ASP 67 -11.124 3.406 1.920 487 H ASP 68 HN ASP 68 -11.076 4.957 0.164 488 HA ASP 68 HA ASP 68 -9.164 7.091 -0.052 489 HB2 ASP 68 HB2 ASP 68 -11.111 8.637 -0.199 490 HB3 ASP 68 HB1 ASP 68 -11.141 7.346 -1.386 491 H CYS 69 HN CYS 69 -11.180 5.880 2.544 492 HA CYS 69 HA CYS 69 -10.058 7.937 4.303 493 HB2 CYS 69 HB2 CYS 69 -11.658 6.113 5.731 494 HB3 CYS 69 HB1 CYS 69 -12.093 7.753 5.272 495 HG CYS 69 HG CYS 69 -13.025 6.711 2.679 496 H GLY 70 HN GLY 70 -9.072 7.060 6.396 497 HA2 GLY 70 HA2 GLY 70 -7.129 5.063 5.633 498 HA3 GLY 70 HA1 GLY 70 -7.158 5.931 7.166 499 H SER 71 HN SER 71 -8.859 3.510 5.319 500 HA SER 71 HA SER 71 -8.930 1.740 7.645 501 HB2 SER 71 HB2 SER 71 -11.199 2.706 7.349 502 HB3 SER 71 HB1 SER 71 -11.198 2.176 5.669 503 HG SER 71 HG SER 71 -11.621 0.197 6.275 504 H MET 72 HN MET 72 -8.295 -0.343 7.074 505 HA MET 72 HA MET 72 -6.903 -0.419 4.628 506 HB2 MET 72 HB2 MET 72 -6.211 -2.688 5.278 507 HB3 MET 72 HB1 MET 72 -5.845 -1.426 6.452 508 HG2 MET 72 HG2 MET 72 -7.985 -2.024 7.552 509 HG3 MET 72 HG1 MET 72 -8.010 -3.453 6.534 510 HE1 MET 72 HE1 MET 72 -4.751 -2.576 9.685 511 HE2 MET 72 HE2 MET 72 -6.177 -1.568 9.438 512 HE3 MET 72 HE3 MET 72 -4.929 -1.651 8.194 513 H THR 73 HN THR 73 -7.706 -0.749 2.773 514 HA THR 73 HA THR 73 -10.181 -2.273 2.495 515 HB THR 73 HB THR 73 -10.118 0.077 1.662 516 HG1 THR 73 HG1 THR 73 -11.259 -0.414 -0.168 517 HG21 THR 73 HG21 THR 73 -8.331 -0.991 -0.521 518 HG22 THR 73 HG22 THR 73 -7.756 -0.021 0.837 519 HG23 THR 73 HG23 THR 73 -8.913 0.665 -0.306 520 H SER 74 HN SER 74 -10.369 -3.472 0.359 521 HA SER 74 HA SER 74 -8.029 -5.189 0.180 522 HB2 SER 74 HB2 SER 74 -10.794 -5.782 -0.776 523 HB3 SER 74 HB1 SER 74 -9.491 -6.929 -0.511 524 HG SER 74 HG SER 74 -9.871 -6.910 1.583 525 H CYS 75 HN CYS 75 -6.766 -4.954 -1.523 526 HA CYS 75 HA CYS 75 -7.892 -4.824 -4.188 527 HB2 CYS 75 HB2 CYS 75 -7.679 -2.445 -3.596 528 HB3 CYS 75 HB1 CYS 75 -5.991 -2.704 -3.186 529 HG CYS 75 HG CYS 75 -6.295 -1.317 -5.663 530 H ARG 76 HN ARG 76 -6.626 -5.896 -5.633 531 HA ARG 76 HA ARG 76 -4.960 -7.818 -4.452 532 HB2 ARG 76 HB2 ARG 76 -5.630 -7.159 -7.287 533 HB3 ARG 76 HB1 ARG 76 -4.406 -8.353 -6.915 534 HG2 ARG 76 HG2 ARG 76 -6.375 -9.564 -7.183 535 HG3 ARG 76 HG1 ARG 76 -6.096 -9.467 -5.451 536 HD2 ARG 76 HD2 ARG 76 -8.181 -8.752 -5.309 537 HD3 ARG 76 HD1 ARG 76 -7.531 -7.237 -5.923 538 HE ARG 76 HE ARG 76 -8.074 -8.401 -8.210 539 HH11 ARG 76 HH11 ARG 76 -10.023 -8.380 -5.295 540 HH12 ARG 76 HH12 ARG 76 -11.533 -8.513 -6.147 541 HH21 ARG 76 HH21 ARG 76 -10.032 -8.591 -9.326 542 HH22 ARG 76 HH22 ARG 76 -11.537 -8.653 -8.454 543 H GLY 77 HN GLY 77 -2.938 -7.806 -3.908 544 HA2 GLY 77 HA2 GLY 77 -0.708 -7.344 -5.246 545 HA3 GLY 77 HA1 GLY 77 -1.168 -5.703 -4.856 546 H SER 78 HN SER 78 -0.263 -8.795 -3.459 547 HA SER 78 HA SER 78 0.588 -7.324 -1.080 548 HB2 SER 78 HB2 SER 78 -1.583 -9.327 -1.196 549 HB3 SER 78 HB1 SER 78 -0.478 -9.450 0.168 550 HG SER 78 HG SER 78 -1.283 -7.683 0.989 551 H VAL 79 HN VAL 79 1.988 -8.267 0.248 552 HA VAL 79 HA VAL 79 4.063 -9.623 -0.988 553 HB VAL 79 HB VAL 79 3.463 -8.975 1.867 554 HG11 VAL 79 HG11 VAL 79 5.873 -9.449 2.324 555 HG12 VAL 79 HG12 VAL 79 5.942 -10.256 0.755 556 HG13 VAL 79 HG13 VAL 79 4.881 -10.876 2.024 557 HG21 VAL 79 HG21 VAL 79 5.337 -7.795 -0.178 558 HG22 VAL 79 HG22 VAL 79 5.242 -7.288 1.507 559 HG23 VAL 79 HG23 VAL 79 3.849 -7.073 0.443 560 H SER 80 HN SER 80 3.912 -11.658 -1.679 561 HA SER 80 HA SER 80 2.380 -13.660 -0.296 562 HB2 SER 80 HB2 SER 80 3.370 -15.144 -2.128 563 HB3 SER 80 HB1 SER 80 2.336 -13.815 -2.655 564 HG SER 80 HG SER 80 4.557 -14.212 -3.680 565 H GLY 81 HN GLY 81 5.779 -13.555 -1.337 566 HA2 GLY 81 HA2 GLY 81 6.506 -15.061 1.090 567 HA3 GLY 81 HA1 GLY 81 7.509 -14.921 -0.354 568 HA PRO 82 HA PRO 82 8.799 -11.919 3.162 569 HB2 PRO 82 HB2 PRO 82 11.428 -12.539 2.565 570 HB3 PRO 82 HB1 PRO 82 10.519 -13.098 3.960 571 HG2 PRO 82 HG2 PRO 82 11.017 -14.475 1.347 572 HG3 PRO 82 HG1 PRO 82 10.940 -15.158 2.984 573 HD2 PRO 82 HD2 PRO 82 8.918 -15.469 1.306 574 HD3 PRO 82 HD1 PRO 82 8.601 -15.087 3.016 575 H SER 83 HN SER 83 8.715 -9.922 2.430 576 HA SER 83 HA SER 83 9.521 -9.221 -0.243 577 HB2 SER 83 HB2 SER 83 7.546 -8.188 0.790 578 HB3 SER 83 HB1 SER 83 8.561 -7.502 2.059 579 HG SER 83 HG SER 83 8.946 -6.966 -0.698 580 H THR 84 HN THR 84 11.395 -8.334 -0.864 581 HA THR 84 HA THR 84 13.351 -7.735 1.263 582 HB THR 84 HB THR 84 14.105 -8.081 -1.615 583 HG1 THR 84 HG1 THR 84 12.795 -9.933 -0.802 584 HG21 THR 84 HG21 THR 84 16.188 -8.932 -0.546 585 HG22 THR 84 HG22 THR 84 15.471 -8.599 1.035 586 HG23 THR 84 HG23 THR 84 15.801 -7.275 -0.083 587 H SER 85 HN SER 85 12.347 -6.657 -1.986 588 HA SER 85 HA SER 85 13.632 -4.110 -1.683 589 HB2 SER 85 HB2 SER 85 11.512 -4.847 -3.726 590 HB3 SER 85 HB1 SER 85 12.753 -3.602 -3.863 591 HG SER 85 HG SER 85 12.920 -6.359 -4.220 592 H HIS 86 HN HIS 86 12.680 -3.292 0.258 593 HA HIS 86 HA HIS 86 10.096 -2.082 -0.073 594 HB2 HIS 86 HB2 HIS 86 8.923 -3.221 1.635 595 HB3 HIS 86 HB1 HIS 86 9.626 -4.479 0.623 596 HD1 HIS 86 HD1 HIS 86 12.088 -5.356 1.681 597 HD2 HIS 86 HD2 HIS 86 9.334 -3.628 4.266 598 HE1 HIS 86 HE1 HIS 86 12.782 -6.075 3.984 599 HE2 HIS 86 HE2 HIS 86 11.296 -4.748 5.528 600 H LEU 87 HN LEU 87 9.521 -0.676 1.660 601 HA LEU 87 HA LEU 87 11.677 -0.066 3.574 602 HB2 LEU 87 HB2 LEU 87 10.060 1.888 1.939 603 HB3 LEU 87 HB1 LEU 87 11.052 2.356 3.303 604 HG LEU 87 HG LEU 87 12.824 0.966 1.727 605 HD11 LEU 87 HD11 LEU 87 10.985 2.530 -0.068 606 HD12 LEU 87 HD12 LEU 87 11.234 0.782 -0.083 607 HD13 LEU 87 HD13 LEU 87 12.551 1.866 -0.532 608 HD21 LEU 87 HD21 LEU 87 13.732 3.173 1.182 609 HD22 LEU 87 HD22 LEU 87 13.263 3.057 2.878 610 HD23 LEU 87 HD23 LEU 87 12.234 3.921 1.734 611 H THR 88 HN THR 88 10.883 -0.367 5.579 612 HA THR 88 HA THR 88 8.044 -0.271 6.069 613 HB THR 88 HB THR 88 10.192 -0.381 8.175 614 HG1 THR 88 HG1 THR 88 10.323 -2.546 7.854 615 HG21 THR 88 HG21 THR 88 7.940 0.053 8.997 616 HG22 THR 88 HG22 THR 88 8.485 -1.563 9.463 617 HG23 THR 88 HG23 THR 88 7.349 -1.368 8.129 618 H ARG 89 HN ARG 89 7.477 1.841 5.520 619 HA ARG 89 HA ARG 89 8.174 3.754 7.656 620 HB2 ARG 89 HB2 ARG 89 7.092 4.501 4.945 621 HB3 ARG 89 HB1 ARG 89 7.858 5.544 6.129 622 HG2 ARG 89 HG2 ARG 89 9.412 3.324 4.908 623 HG3 ARG 89 HG1 ARG 89 9.137 4.808 4.003 624 HD2 ARG 89 HD2 ARG 89 10.034 6.041 6.026 625 HD3 ARG 89 HD1 ARG 89 10.571 4.467 6.618 626 HE ARG 89 HE ARG 89 11.436 5.066 3.940 627 HH11 ARG 89 HH11 ARG 89 12.198 5.358 7.346 628 HH12 ARG 89 HH12 ARG 89 13.899 5.622 7.060 629 HH21 ARG 89 HH21 ARG 89 13.662 5.456 3.570 630 HH22 ARG 89 HH22 ARG 89 14.718 5.701 4.924 631 HA PRO 90 HA PRO 90 3.695 2.481 7.643 632 HB2 PRO 90 HB2 PRO 90 3.954 1.829 10.441 633 HB3 PRO 90 HB1 PRO 90 3.520 0.774 9.114 634 HG2 PRO 90 HG2 PRO 90 5.874 0.582 10.477 635 HG3 PRO 90 HG1 PRO 90 5.646 0.063 8.803 636 HD2 PRO 90 HD2 PRO 90 6.941 2.521 9.844 637 HD3 PRO 90 HD1 PRO 90 7.346 1.541 8.443 638 H SER 91 HN SER 91 5.594 4.306 9.913 639 HA SER 91 HA SER 91 3.545 5.867 11.049 640 HB2 SER 91 HB2 SER 91 6.320 6.900 10.531 641 HB3 SER 91 HB1 SER 91 5.297 7.129 11.955 642 HG SER 91 HG SER 91 6.187 5.419 12.786 643 H GLU 92 HN GLU 92 5.376 6.068 8.087 644 HA GLU 92 HA GLU 92 4.557 8.784 7.542 645 HB2 GLU 92 HB2 GLU 92 6.603 6.940 6.601 646 HB3 GLU 92 HB1 GLU 92 5.879 7.876 5.298 647 HG2 GLU 92 HG2 GLU 92 7.057 9.038 7.813 648 HG3 GLU 92 HG1 GLU 92 7.898 8.919 6.268 649 H LEU 93 HN LEU 93 3.943 5.547 6.186 650 HA LEU 93 HA LEU 93 2.276 6.414 4.083 651 HB2 LEU 93 HB2 LEU 93 2.556 3.868 5.594 652 HB3 LEU 93 HB1 LEU 93 1.149 4.077 4.579 653 HG LEU 93 HG LEU 93 2.717 2.861 3.304 654 HD11 LEU 93 HD11 LEU 93 1.590 4.598 2.053 655 HD12 LEU 93 HD12 LEU 93 3.226 4.356 1.439 656 HD13 LEU 93 HD13 LEU 93 2.863 5.747 2.462 657 HD21 LEU 93 HD21 LEU 93 4.724 3.306 4.597 658 HD22 LEU 93 HD22 LEU 93 4.770 4.960 3.987 659 HD23 LEU 93 HD23 LEU 93 5.009 3.605 2.882 660 H GLN 94 HN GLN 94 1.511 5.468 7.416 661 HA GLN 94 HA GLN 94 -1.318 5.799 7.115 662 HB2 GLN 94 HB2 GLN 94 0.010 4.410 8.856 663 HB3 GLN 94 HB1 GLN 94 0.193 5.934 9.711 664 HG2 GLN 94 HG2 GLN 94 -1.605 4.669 10.649 665 HG3 GLN 94 HG1 GLN 94 -2.248 6.117 9.882 666 HE21 GLN 94 HE21 GLN 94 -3.748 5.882 8.237 667 HE22 GLN 94 HE22 GLN 94 -4.325 4.352 7.720 668 H ALA 95 HN ALA 95 1.327 7.856 7.504 669 HA ALA 95 HA ALA 95 0.075 10.057 8.798 670 HB1 ALA 95 HB1 ALA 95 2.545 9.634 8.631 671 HB2 ALA 95 HB2 ALA 95 2.016 11.279 8.259 672 HB3 ALA 95 HB3 ALA 95 2.429 10.169 6.948 673 H VAL 96 HN VAL 96 0.886 9.348 5.397 674 HA VAL 96 HA VAL 96 -0.430 11.681 4.430 675 HB VAL 96 HB VAL 96 0.831 11.211 2.647 676 HG11 VAL 96 HG11 VAL 96 2.126 9.622 3.993 677 HG12 VAL 96 HG12 VAL 96 2.030 9.156 2.287 678 HG13 VAL 96 HG13 VAL 96 1.028 8.334 3.491 679 HG21 VAL 96 HG21 VAL 96 -1.319 10.562 1.714 680 HG22 VAL 96 HG22 VAL 96 -1.044 8.895 2.230 681 HG23 VAL 96 HG23 VAL 96 -0.004 9.621 1.001 682 H ILE 97 HN ILE 97 -1.356 8.369 5.076 683 HA ILE 97 HA ILE 97 -3.928 8.472 4.027 684 HB ILE 97 HB ILE 97 -2.782 7.158 6.456 685 HG12 ILE 97 HG12 ILE 97 -4.125 5.776 4.183 686 HG13 ILE 97 HG11 ILE 97 -2.536 6.485 3.916 687 HG21 ILE 97 HG21 ILE 97 -5.090 7.766 6.993 688 HG22 ILE 97 HG22 ILE 97 -4.883 6.021 6.827 689 HG23 ILE 97 HG23 ILE 97 -5.634 6.949 5.526 690 HD11 ILE 97 HD11 ILE 97 -3.141 4.574 6.142 691 HD12 ILE 97 HD12 ILE 97 -1.561 5.130 5.585 692 HD13 ILE 97 HD13 ILE 97 -2.540 4.079 4.562 693 H ASP 98 HN ASP 98 -2.898 9.252 7.324 694 HA ASP 98 HA ASP 98 -5.193 10.534 8.211 695 HB2 ASP 98 HB2 ASP 98 -3.329 9.917 9.669 696 HB3 ASP 98 HB1 ASP 98 -2.301 11.120 8.892 697 H SER 99 HN SER 99 -2.443 11.877 6.448 698 HA SER 99 HA SER 99 -3.345 14.595 6.687 699 HB2 SER 99 HB2 SER 99 -1.015 14.294 6.684 700 HB3 SER 99 HB1 SER 99 -1.059 13.240 5.273 701 HG SER 99 HG SER 99 -0.698 14.983 4.162 702 H ASP 100 HN ASP 100 -2.783 12.455 3.876 703 HA ASP 100 HA ASP 100 -4.163 14.198 2.102 704 HB2 ASP 100 HB2 ASP 100 -2.965 11.507 1.825 705 HB3 ASP 100 HB1 ASP 100 -4.169 11.982 0.679 706 H LYS 101 HN LYS 101 -5.389 11.972 4.383 707 HA LYS 101 HA LYS 101 -7.848 11.285 3.275 708 HB2 LYS 101 HB2 LYS 101 -6.713 11.616 5.895 709 HB3 LYS 101 HB1 LYS 101 -8.362 12.238 5.873 710 HG2 LYS 101 HG2 LYS 101 -9.252 10.206 5.686 711 HG3 LYS 101 HG1 LYS 101 -7.967 9.600 4.636 712 HD2 LYS 101 HD2 LYS 101 -7.891 8.447 6.749 713 HD3 LYS 101 HD1 LYS 101 -6.509 9.529 6.630 714 HE2 LYS 101 HE2 LYS 101 -7.488 9.677 8.834 715 HE3 LYS 101 HE1 LYS 101 -7.693 11.186 7.950 716 HZ1 LYS 101 HZ1 LYS 101 -9.943 10.809 7.640 717 HZ2 LYS 101 HZ2 LYS 101 -9.678 10.315 9.242 718 HZ3 LYS 101 HZ3 LYS 101 -9.835 9.157 8.012 719 H SER 102 HN SER 102 -6.632 14.394 4.350 720 HA SER 102 HA SER 102 -9.108 15.807 4.172 721 HB2 SER 102 HB2 SER 102 -6.320 16.944 3.870 722 HB3 SER 102 HB1 SER 102 -7.769 17.784 4.427 723 HG SER 102 HG SER 102 -5.996 16.614 5.919 724 H ASN 103 HN ASN 103 -6.997 14.462 1.959 725 HA ASN 103 HA ASN 103 -7.826 16.178 -0.258 726 HB2 ASN 103 HB2 ASN 103 -5.383 15.655 0.131 727 HB3 ASN 103 HB1 ASN 103 -5.743 13.972 -0.251 728 HD21 ASN 103 HD21 ASN 103 -4.177 14.266 -1.942 729 HD22 ASN 103 HD22 ASN 103 -4.668 14.971 -3.451 730 H TYR 104 HN TYR 104 -8.178 13.033 1.133 731 HA TYR 104 HA TYR 104 -10.485 12.517 -0.524 732 HB2 TYR 104 HB2 TYR 104 -8.942 10.056 -0.321 733 HB3 TYR 104 HB1 TYR 104 -9.754 10.728 -1.722 734 HD1 TYR 104 HD2 TYR 104 -6.686 11.187 0.324 735 HD2 TYR 104 HD1 TYR 104 -8.457 11.344 -3.537 736 HE1 TYR 104 HE2 TYR 104 -4.493 11.684 -0.660 737 HE2 TYR 104 HE1 TYR 104 -6.279 11.822 -4.543 738 HH TYR 104 HH TYR 104 -3.330 11.623 -2.694 739 H CYS 105 HN CYS 105 -11.873 12.157 1.080 740 HA CYS 105 HA CYS 105 -11.635 9.669 2.437 741 HB2 CYS 105 HB2 CYS 105 -10.509 10.819 4.136 742 HB3 CYS 105 HB1 CYS 105 -11.537 12.236 4.002 743 HG CYS 105 HG CYS 105 -13.490 9.767 4.806 744 H THR 106 HN THR 106 -13.558 8.760 2.221 745 HA THR 106 HA THR 106 -15.910 10.499 2.173 746 HB THR 106 HB THR 106 -17.154 8.523 1.367 747 HG1 THR 106 HG1 THR 106 -14.618 7.222 1.179 748 HG21 THR 106 HG21 THR 106 -16.212 8.462 -0.850 749 HG22 THR 106 HG22 THR 106 -14.668 9.057 -0.243 750 HG23 THR 106 HG23 THR 106 -16.089 10.097 -0.196 751 H ASP 107 HN ASP 107 -17.847 9.708 3.346 752 HA ASP 107 HA ASP 107 -17.197 8.949 6.045 753 HB2 ASP 107 HB2 ASP 107 -19.867 9.340 4.674 754 HB3 ASP 107 HB1 ASP 107 -19.668 9.037 6.396 755 H LYS 108 HN LYS 108 -16.233 6.982 4.612 756 HA LYS 108 HA LYS 108 -16.192 4.770 4.191 757 HB2 LYS 108 HB2 LYS 108 -16.882 5.010 6.721 758 HB3 LYS 108 HB1 LYS 108 -18.340 4.221 6.151 759 HG2 LYS 108 HG2 LYS 108 -15.557 3.137 5.749 760 HG3 LYS 108 HG1 LYS 108 -16.613 2.680 7.085 761 HD2 LYS 108 HD2 LYS 108 -17.518 2.403 4.239 762 HD3 LYS 108 HD1 LYS 108 -16.510 1.165 4.991 763 HE2 LYS 108 HE2 LYS 108 -18.764 1.959 6.659 764 HE3 LYS 108 HE1 LYS 108 -19.266 1.321 5.092 765 HZ1 LYS 108 HZ1 LYS 108 -18.023 -0.679 5.497 766 HZ2 LYS 108 HZ2 LYS 108 -19.053 -0.403 6.815 767 HZ3 LYS 108 HZ3 LYS 108 -17.396 -0.061 6.951 768 H SER 109 HN SER 109 -17.226 5.403 2.090 769 HA SER 109 HA SER 109 -19.984 4.659 1.711 770 HB2 SER 109 HB2 SER 109 -19.292 4.849 -0.756 771 HB3 SER 109 HB1 SER 109 -19.182 6.312 0.220 772 HG SER 109 HG SER 109 -17.045 4.556 -0.459 773 H GLU 110 HN GLU 110 -18.512 2.689 2.965 774 HA GLU 110 HA GLU 110 -17.862 0.552 3.023 775 HB2 GLU 110 HB2 GLU 110 -20.196 0.391 1.878 776 HB3 GLU 110 HB1 GLU 110 -19.260 -0.036 0.446 777 HG2 GLU 110 HG2 GLU 110 -20.050 -1.986 1.771 778 HG3 GLU 110 HG1 GLU 110 -18.300 -1.925 1.545 779 H GLN 111 HN GLN 111 -15.823 0.224 2.783 780 HA GLN 111 HA GLN 111 -14.296 1.267 0.669 781 HB2 GLN 111 HB2 GLN 111 -12.406 0.154 1.735 782 HB3 GLN 111 HB1 GLN 111 -13.419 0.941 2.936 783 HG2 GLN 111 HG2 GLN 111 -14.451 -1.209 3.475 784 HG3 GLN 111 HG1 GLN 111 -13.414 -1.996 2.286 785 HE21 GLN 111 HE21 GLN 111 -12.457 -3.305 3.788 786 HE22 GLN 111 HE22 GLN 111 -11.313 -2.721 4.946 787 H GLN 112 HN GLN 112 -12.910 0.123 -0.784 788 HA GLN 112 HA GLN 112 -12.499 -1.315 -2.495 789 HB2 GLN 112 HB2 GLN 112 -12.443 -3.081 -0.731 790 HB3 GLN 112 HB1 GLN 112 -14.165 -3.338 -0.979 791 HG2 GLN 112 HG2 GLN 112 -13.655 -3.908 -3.357 792 HG3 GLN 112 HG1 GLN 112 -11.943 -3.830 -2.946 793 HE21 GLN 112 HE21 GLN 112 -14.424 -5.030 -0.792 794 HE22 GLN 112 HE22 GLN 112 -13.906 -6.680 -0.810 795 HA PRO 113 HA PRO 113 -16.686 -0.136 -4.055 796 HB2 PRO 113 HB2 PRO 113 -15.813 1.557 -5.978 797 HB3 PRO 113 HB1 PRO 113 -16.016 2.056 -4.295 798 HG2 PRO 113 HG2 PRO 113 -13.523 1.289 -5.755 799 HG3 PRO 113 HG1 PRO 113 -13.784 2.610 -4.601 800 HD2 PRO 113 HD2 PRO 113 -12.609 0.243 -3.933 801 HD3 PRO 113 HD1 PRO 113 -13.528 1.234 -2.785 802 H SER 114 HN SER 114 -16.884 -2.296 -4.831 803 HA SER 114 HA SER 114 -15.724 -2.839 -7.463 804 HB2 SER 114 HB2 SER 114 -15.484 -4.562 -5.686 805 HB3 SER 114 HB1 SER 114 -17.237 -4.692 -5.603 806 HG SER 114 HG SER 114 -17.227 -5.378 -7.777 807 H GLN 115 HN GLN 115 -17.748 -0.877 -7.232 808 HA GLN 115 HA GLN 115 -19.582 -0.147 -8.350 809 HB2 GLN 115 HB2 GLN 115 -19.522 -2.877 -9.647 810 HB3 GLN 115 HB1 GLN 115 -20.576 -1.560 -10.136 811 HG2 GLN 115 HG2 GLN 115 -18.668 -0.215 -10.758 812 HG3 GLN 115 HG1 GLN 115 -17.572 -1.468 -10.176 813 HE21 GLN 115 HE21 GLN 115 -17.279 -3.328 -11.384 814 HE22 GLN 115 HE22 GLN 115 -17.806 -3.460 -13.023 815 H ALA 116 HN ALA 116 -21.979 -0.672 -8.697 816 HA ALA 116 HA ALA 116 -24.021 -1.346 -7.985 817 HB1 ALA 116 HB1 ALA 116 -24.317 -3.461 -6.845 818 HB2 ALA 116 HB2 ALA 116 -22.590 -3.549 -6.503 819 HB3 ALA 116 HB3 ALA 116 -23.165 -3.641 -8.168 820 H THR 117 HN THR 117 -21.839 -1.924 -5.231 821 HA THR 117 HA THR 117 -21.898 -1.257 -3.062 822 HB THR 117 HB THR 117 -23.392 1.200 -3.982 823 HG1 THR 117 HG1 THR 117 -21.608 1.931 -4.914 824 HG21 THR 117 HG21 THR 117 -22.123 2.291 -2.199 825 HG22 THR 117 HG22 THR 117 -21.320 0.767 -1.823 826 HG23 THR 117 HG23 THR 117 -23.056 0.938 -1.559 827 HA PRO 118 HA PRO 118 -26.341 -2.426 -2.442 828 HB2 PRO 118 HB2 PRO 118 -25.554 -5.009 -1.511 829 HB3 PRO 118 HB1 PRO 118 -26.410 -4.613 -3.002 830 HG2 PRO 118 HG2 PRO 118 -23.838 -5.639 -2.873 831 HG3 PRO 118 HG1 PRO 118 -24.525 -4.778 -4.260 832 HD2 PRO 118 HD2 PRO 118 -22.704 -3.771 -2.114 833 HD3 PRO 118 HD1 PRO 118 -22.737 -3.383 -3.849 834 HA PRO 119 HA PRO 119 -25.752 -1.261 1.844 835 HB2 PRO 119 HB2 PRO 119 -28.369 -1.777 2.591 836 HB3 PRO 119 HB1 PRO 119 -27.794 -0.264 1.886 837 HG2 PRO 119 HG2 PRO 119 -29.169 -2.565 0.570 838 HG3 PRO 119 HG1 PRO 119 -29.379 -0.825 0.298 839 HD2 PRO 119 HD2 PRO 119 -27.966 -2.351 -1.397 840 HD3 PRO 119 HD1 PRO 119 -27.483 -0.679 -1.030 841 HA PRO 120 HA PRO 120 -25.160 -5.521 3.150 842 HB2 PRO 120 HB2 PRO 120 -23.286 -4.535 5.098 843 HB3 PRO 120 HB1 PRO 120 -22.950 -5.381 3.588 844 HG2 PRO 120 HG2 PRO 120 -22.305 -2.754 4.054 845 HG3 PRO 120 HG1 PRO 120 -22.574 -3.441 2.443 846 HD2 PRO 120 HD2 PRO 120 -24.433 -1.838 4.157 847 HD3 PRO 120 HD1 PRO 120 -24.161 -1.754 2.401 848 H GLU 121 HN GLU 121 -27.321 -3.874 4.291 849 HA GLU 121 HA GLU 121 -27.667 -5.331 6.731 850 HB2 GLU 121 HB2 GLU 121 -26.311 -3.446 7.561 851 HB3 GLU 121 HB1 GLU 121 -27.467 -2.311 6.877 852 HG2 GLU 121 HG2 GLU 121 -27.786 -2.548 9.268 853 HG3 GLU 121 HG1 GLU 121 -29.191 -3.138 8.383 854 H ILE 122 HN ILE 122 -29.814 -5.433 7.350 855 HA ILE 122 HA ILE 122 -31.694 -4.142 5.484 856 HB ILE 122 HB ILE 122 -31.625 -6.566 5.187 857 HG12 ILE 122 HG12 ILE 122 -33.833 -5.217 5.091 858 HG13 ILE 122 HG11 ILE 122 -33.920 -6.972 5.099 859 HG21 ILE 122 HG21 ILE 122 -30.859 -7.267 7.346 860 HG22 ILE 122 HG22 ILE 122 -32.368 -8.096 6.965 861 HG23 ILE 122 HG23 ILE 122 -32.368 -6.744 8.096 862 HD11 ILE 122 HD11 ILE 122 -35.617 -5.994 6.524 863 HD12 ILE 122 HD12 ILE 122 -34.374 -5.166 7.463 864 HD13 ILE 122 HD13 ILE 122 -34.465 -6.928 7.477 865 HA PRO 123 HA PRO 123 -33.069 -2.213 9.250 866 HB2 PRO 123 HB2 PRO 123 -34.602 -0.329 8.106 867 HB3 PRO 123 HB1 PRO 123 -32.838 -0.263 8.046 868 HG2 PRO 123 HG2 PRO 123 -34.779 -1.041 5.930 869 HG3 PRO 123 HG1 PRO 123 -33.222 -0.210 5.780 870 HD2 PRO 123 HD2 PRO 123 -33.693 -2.930 5.318 871 HD3 PRO 123 HD1 PRO 123 -32.108 -2.164 5.525 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 -1.906 12.492 -6.334 2 H2 ALA 1 HT2 ALA 1 -1.988 12.077 -7.981 3 H3 ALA 1 HT3 ALA 1 -0.727 11.482 -7.017 4 HA ALA 1 HA ALA 1 -2.379 9.782 -7.437 5 HB1 ALA 1 HB1 ALA 1 -2.708 9.075 -5.154 6 HB2 ALA 1 HB2 ALA 1 -2.371 10.708 -4.568 7 HB3 ALA 1 HB3 ALA 1 -1.096 9.765 -5.343 8 HA PRO 2 HA PRO 2 -6.599 11.127 -7.597 9 HB2 PRO 2 HB2 PRO 2 -7.248 8.338 -7.986 10 HB3 PRO 2 HB1 PRO 2 -7.341 9.668 -9.123 11 HG2 PRO 2 HG2 PRO 2 -5.531 7.696 -9.410 12 HG3 PRO 2 HG1 PRO 2 -5.157 9.376 -9.850 13 HD2 PRO 2 HD2 PRO 2 -4.498 7.923 -7.305 14 HD3 PRO 2 HD1 PRO 2 -3.426 8.890 -8.344 15 H THR 3 HN THR 3 -5.533 8.416 -5.649 16 HA THR 3 HA THR 3 -7.793 8.897 -3.851 17 HB THR 3 HB THR 3 -8.019 6.491 -3.460 18 HG1 THR 3 HG1 THR 3 -6.698 5.693 -5.735 19 HG21 THR 3 HG21 THR 3 -9.503 7.512 -5.077 20 HG22 THR 3 HG22 THR 3 -9.044 5.910 -5.658 21 HG23 THR 3 HG23 THR 3 -8.292 7.353 -6.351 22 H LEU 4 HN LEU 4 -7.387 7.698 -1.682 23 HA LEU 4 HA LEU 4 -5.082 8.931 -0.643 24 HB2 LEU 4 HB2 LEU 4 -7.117 8.685 0.652 25 HB3 LEU 4 HB1 LEU 4 -6.952 6.940 0.613 26 HG LEU 4 HG LEU 4 -4.793 7.212 1.883 27 HD11 LEU 4 HD11 LEU 4 -4.675 9.435 3.115 28 HD12 LEU 4 HD12 LEU 4 -5.798 10.038 1.893 29 HD13 LEU 4 HD13 LEU 4 -4.207 9.440 1.406 30 HD21 LEU 4 HD21 LEU 4 -6.829 6.535 3.011 31 HD22 LEU 4 HD22 LEU 4 -7.323 8.220 3.173 32 HD23 LEU 4 HD23 LEU 4 -5.899 7.633 4.029 33 H GLN 5 HN GLN 5 -5.833 5.557 -1.358 34 HA GLN 5 HA GLN 5 -3.487 4.338 -0.449 35 HB2 GLN 5 HB2 GLN 5 -5.263 2.962 -1.138 36 HB3 GLN 5 HB1 GLN 5 -5.313 3.694 -2.735 37 HG2 GLN 5 HG2 GLN 5 -4.303 1.548 -2.880 38 HG3 GLN 5 HG1 GLN 5 -3.085 2.761 -3.207 39 HE21 GLN 5 HE21 GLN 5 -1.296 1.685 -2.634 40 HE22 GLN 5 HE22 GLN 5 -0.998 1.046 -1.048 41 H GLU 6 HN GLU 6 -4.142 5.891 -3.580 42 HA GLU 6 HA GLU 6 -1.583 5.229 -4.629 43 HB2 GLU 6 HB2 GLU 6 -3.566 5.759 -6.043 44 HB3 GLU 6 HB1 GLU 6 -3.415 7.438 -5.546 45 HG2 GLU 6 HG2 GLU 6 -1.824 7.830 -7.023 46 HG3 GLU 6 HG1 GLU 6 -0.920 6.400 -6.545 47 H ALA 7 HN ALA 7 -2.833 7.828 -2.689 48 HA ALA 7 HA ALA 7 -0.598 9.573 -2.917 49 HB1 ALA 7 HB1 ALA 7 -1.425 10.534 -0.803 50 HB2 ALA 7 HB2 ALA 7 -2.578 9.202 -0.660 51 HB3 ALA 7 HB3 ALA 7 -2.707 10.347 -2.001 52 H LEU 8 HN LEU 8 -1.279 6.676 -1.132 53 HA LEU 8 HA LEU 8 1.014 6.798 0.547 54 HB2 LEU 8 HB2 LEU 8 -0.734 4.560 -0.334 55 HB3 LEU 8 HB1 LEU 8 0.632 4.328 0.733 56 HG LEU 8 HG LEU 8 -1.959 5.686 1.252 57 HD11 LEU 8 HD11 LEU 8 -1.845 4.289 3.237 58 HD12 LEU 8 HD12 LEU 8 -0.244 3.730 2.759 59 HD13 LEU 8 HD13 LEU 8 -1.653 3.330 1.771 60 HD21 LEU 8 HD21 LEU 8 -0.409 7.364 1.925 61 HD22 LEU 8 HD22 LEU 8 0.628 6.163 2.697 62 HD23 LEU 8 HD23 LEU 8 -0.960 6.518 3.375 63 H ASP 9 HN ASP 9 0.230 5.125 -2.463 64 HA ASP 9 HA ASP 9 2.694 3.942 -3.000 65 HB2 ASP 9 HB2 ASP 9 0.683 5.124 -4.959 66 HB3 ASP 9 HB1 ASP 9 1.989 4.023 -5.392 67 H ARG 10 HN ARG 10 1.595 7.183 -3.162 68 HA ARG 10 HA ARG 10 3.697 8.234 -4.808 69 HB2 ARG 10 HB2 ARG 10 1.278 9.038 -4.492 70 HB3 ARG 10 HB1 ARG 10 1.831 9.734 -2.980 71 HG2 ARG 10 HG2 ARG 10 3.104 11.322 -4.032 72 HG3 ARG 10 HG1 ARG 10 3.204 10.409 -5.542 73 HD2 ARG 10 HD2 ARG 10 0.776 10.748 -5.829 74 HD3 ARG 10 HD1 ARG 10 0.768 11.752 -4.384 75 HE ARG 10 HE ARG 10 2.043 12.429 -6.949 76 HH11 ARG 10 HH11 ARG 10 1.005 13.341 -3.735 77 HH12 ARG 10 HH12 ARG 10 1.180 15.049 -4.018 78 HH21 ARG 10 HH21 ARG 10 2.277 14.653 -7.338 79 HH22 ARG 10 HH22 ARG 10 1.896 15.797 -6.087 80 H LYS 11 HN LYS 11 2.946 8.011 -1.382 81 HA LYS 11 HA LYS 11 5.214 9.382 -0.366 82 HB2 LYS 11 HB2 LYS 11 3.208 8.859 0.961 83 HB3 LYS 11 HB1 LYS 11 3.606 7.163 0.845 84 HG2 LYS 11 HG2 LYS 11 4.258 8.113 2.986 85 HG3 LYS 11 HG1 LYS 11 5.622 7.484 2.082 86 HD2 LYS 11 HD2 LYS 11 6.215 9.560 3.081 87 HD3 LYS 11 HD1 LYS 11 6.156 9.747 1.333 88 HE2 LYS 11 HE2 LYS 11 4.271 11.007 1.390 89 HE3 LYS 11 HE1 LYS 11 3.727 10.331 2.910 90 HZ1 LYS 11 HZ1 LYS 11 4.491 12.682 3.039 91 HZ2 LYS 11 HZ2 LYS 11 6.060 12.148 2.672 92 HZ3 LYS 11 HZ3 LYS 11 5.297 11.634 4.101 93 H CYS 12 HN CYS 12 4.412 6.093 -1.142 94 HA CYS 12 HA CYS 12 6.812 4.820 -0.526 95 HB2 CYS 12 HB2 CYS 12 4.588 4.221 -2.455 96 HB3 CYS 12 HB1 CYS 12 5.921 3.121 -2.199 97 HG CYS 12 HG CYS 12 3.381 3.901 -0.128 98 H ALA 13 HN ALA 13 5.831 6.622 -3.348 99 HA ALA 13 HA ALA 13 8.037 5.857 -5.005 100 HB1 ALA 13 HB1 ALA 13 6.059 8.136 -5.099 101 HB2 ALA 13 HB2 ALA 13 6.111 6.679 -6.096 102 HB3 ALA 13 HB3 ALA 13 7.344 7.924 -6.295 103 H GLN 14 HN GLN 14 7.553 8.039 -2.415 104 HA GLN 14 HA GLN 14 9.701 9.834 -3.037 105 HB2 GLN 14 HB2 GLN 14 8.005 9.428 -0.586 106 HB3 GLN 14 HB1 GLN 14 9.262 10.658 -0.705 107 HG2 GLN 14 HG2 GLN 14 8.114 11.607 -2.646 108 HG3 GLN 14 HG1 GLN 14 6.839 10.411 -2.457 109 HE21 GLN 14 HE21 GLN 14 8.269 13.300 -1.198 110 HE22 GLN 14 HE22 GLN 14 6.993 13.706 -0.091 111 H PHE 15 HN PHE 15 9.259 6.943 -1.153 112 HA PHE 15 HA PHE 15 11.955 7.160 -0.031 113 HB2 PHE 15 HB2 PHE 15 9.915 4.985 0.430 114 HB3 PHE 15 HB1 PHE 15 11.385 5.271 1.357 115 HD1 PHE 15 HD2 PHE 15 11.418 8.007 1.966 116 HD2 PHE 15 HD1 PHE 15 8.077 5.400 1.694 117 HE1 PHE 15 HE2 PHE 15 10.189 9.431 3.528 118 HE2 PHE 15 HE1 PHE 15 6.833 6.829 3.255 119 HZ PHE 15 HZ PHE 15 7.835 8.850 4.097 120 H GLY 16 HN GLY 16 9.979 4.878 -1.890 121 HA2 GLY 16 HA2 GLY 16 11.812 2.848 -2.246 122 HA3 GLY 16 HA1 GLY 16 10.545 3.256 -3.388 123 H LYS 17 HN LYS 17 11.134 5.423 -4.580 124 HA LYS 17 HA LYS 17 13.324 4.578 -6.183 125 HB2 LYS 17 HB2 LYS 17 11.834 7.149 -6.485 126 HB3 LYS 17 HB1 LYS 17 12.598 6.158 -7.724 127 HG2 LYS 17 HG2 LYS 17 10.162 5.402 -6.137 128 HG3 LYS 17 HG1 LYS 17 10.168 5.994 -7.781 129 HD2 LYS 17 HD2 LYS 17 11.710 3.987 -8.286 130 HD3 LYS 17 HD1 LYS 17 11.154 3.357 -6.730 131 HE2 LYS 17 HE2 LYS 17 9.804 2.477 -8.541 132 HE3 LYS 17 HE1 LYS 17 8.838 3.525 -7.503 133 HZ1 LYS 17 HZ1 LYS 17 8.475 3.876 -9.910 134 HZ2 LYS 17 HZ2 LYS 17 10.079 4.396 -10.053 135 HZ3 LYS 17 HZ3 LYS 17 8.985 5.275 -9.102 136 H GLU 18 HN GLU 18 12.851 6.908 -3.664 137 HA GLU 18 HA GLU 18 15.214 8.391 -3.968 138 HB2 GLU 18 HB2 GLU 18 13.748 9.141 -2.312 139 HB3 GLU 18 HB1 GLU 18 13.621 7.556 -1.558 140 HG2 GLU 18 HG2 GLU 18 15.881 7.756 -0.708 141 HG3 GLU 18 HG1 GLU 18 16.088 9.288 -1.552 142 H SER 19 HN SER 19 14.601 5.275 -2.429 143 HA SER 19 HA SER 19 17.269 4.676 -1.756 144 HB2 SER 19 HB2 SER 19 15.056 2.761 -2.492 145 HB3 SER 19 HB1 SER 19 16.509 2.382 -1.558 146 HG SER 19 HG SER 19 14.315 4.014 -0.824 147 H CYS 20 HN CYS 20 15.314 4.021 -4.616 148 HA CYS 20 HA CYS 20 17.197 2.669 -6.152 149 HB2 CYS 20 HB2 CYS 20 15.281 2.617 -7.325 150 HB3 CYS 20 HB1 CYS 20 14.689 4.096 -6.584 151 HG CYS 20 HG CYS 20 17.093 4.538 -8.899 152 H ASN 21 HN ASN 21 16.737 6.092 -5.573 153 HA ASN 21 HA ASN 21 18.641 6.964 -7.518 154 HB2 ASN 21 HB2 ASN 21 17.066 8.300 -5.343 155 HB3 ASN 21 HB1 ASN 21 18.368 9.162 -6.164 156 HD21 ASN 21 HD21 ASN 21 15.381 9.478 -6.147 157 HD22 ASN 21 HD22 ASN 21 14.947 9.500 -7.825 158 H SER 22 HN SER 22 18.882 5.825 -4.298 159 HA SER 22 HA SER 22 21.490 7.096 -3.966 160 HB2 SER 22 HB2 SER 22 21.259 5.986 -1.613 161 HB3 SER 22 HB1 SER 22 20.319 7.429 -1.992 162 HG SER 22 HG SER 22 18.516 6.204 -2.248 163 H GLY 23 HN GLY 23 20.119 4.084 -4.880 164 HA2 GLY 23 HA2 GLY 23 22.248 2.993 -6.003 165 HA3 GLY 23 HA1 GLY 23 22.625 2.686 -4.318 166 H LEU 24 HN LEU 24 19.398 2.496 -4.310 167 HA LEU 24 HA LEU 24 19.461 -0.360 -4.270 168 HB2 LEU 24 HB2 LEU 24 17.565 1.757 -3.567 169 HB3 LEU 24 HB1 LEU 24 16.816 0.292 -4.164 170 HG LEU 24 HG LEU 24 17.234 0.587 -1.613 171 HD11 LEU 24 HD11 LEU 24 18.015 -1.950 -3.030 172 HD12 LEU 24 HD12 LEU 24 16.370 -1.439 -2.649 173 HD13 LEU 24 HD13 LEU 24 17.501 -1.806 -1.348 174 HD21 LEU 24 HD21 LEU 24 19.566 1.179 -1.730 175 HD22 LEU 24 HD22 LEU 24 19.930 -0.308 -2.613 176 HD23 LEU 24 HD23 LEU 24 19.406 -0.383 -0.924 177 H ALA 25 HN ALA 25 19.674 -1.374 -6.078 178 HA ALA 25 HA ALA 25 18.817 -0.414 -8.608 179 HB1 ALA 25 HB1 ALA 25 19.543 -2.561 -9.469 180 HB2 ALA 25 HB2 ALA 25 19.636 -3.202 -7.828 181 HB3 ALA 25 HB3 ALA 25 20.726 -1.910 -8.335 182 H SER 26 HN SER 26 17.178 -2.028 -6.127 183 HA SER 26 HA SER 26 15.355 -3.580 -7.614 184 HB2 SER 26 HB2 SER 26 14.032 -3.519 -5.494 185 HB3 SER 26 HB1 SER 26 15.687 -4.097 -5.338 186 HG SER 26 HG SER 26 15.490 -2.656 -3.724 187 H TYR 27 HN TYR 27 14.841 -0.454 -5.947 188 HA TYR 27 HA TYR 27 12.274 -0.060 -7.108 189 HB2 TYR 27 HB2 TYR 27 14.001 2.150 -5.971 190 HB3 TYR 27 HB1 TYR 27 12.245 2.039 -6.024 191 HD1 TYR 27 HD2 TYR 27 11.137 0.087 -4.671 192 HD2 TYR 27 HD1 TYR 27 15.131 1.466 -4.057 193 HE1 TYR 27 HE2 TYR 27 11.131 -0.850 -2.396 194 HE2 TYR 27 HE1 TYR 27 15.128 0.514 -1.793 195 HH TYR 27 HH TYR 27 12.735 -1.641 -0.725 196 H CYS 28 HN CYS 28 15.407 0.335 -8.305 197 HA CYS 28 HA CYS 28 14.992 2.483 -10.100 198 HB2 CYS 28 HB2 CYS 28 17.229 1.688 -9.431 199 HB3 CYS 28 HB1 CYS 28 16.936 0.174 -10.275 200 HG CYS 28 HG CYS 28 18.742 1.814 -11.711 201 H GLY 29 HN GLY 29 13.452 2.443 -11.612 202 HA2 GLY 29 HA2 GLY 29 12.288 1.758 -13.491 203 HA3 GLY 29 HA1 GLY 29 13.343 0.352 -13.581 204 H ALA 30 HN ALA 30 11.196 1.480 -11.001 205 HA ALA 30 HA ALA 30 9.707 -1.043 -11.208 206 HB1 ALA 30 HB1 ALA 30 9.718 -1.079 -8.698 207 HB2 ALA 30 HB2 ALA 30 10.935 0.205 -8.767 208 HB3 ALA 30 HB3 ALA 30 11.279 -1.378 -9.464 209 H ALA 31 HN ALA 31 7.636 -0.988 -10.087 210 HA ALA 31 HA ALA 31 6.458 1.695 -9.816 211 HB1 ALA 31 HB1 ALA 31 4.305 0.574 -10.100 212 HB2 ALA 31 HB2 ALA 31 5.137 -0.977 -10.270 213 HB3 ALA 31 HB3 ALA 31 5.366 0.295 -11.478 214 H ILE 32 HN ILE 32 6.362 2.301 -7.646 215 HA ILE 32 HA ILE 32 6.407 0.055 -5.761 216 HB ILE 32 HB ILE 32 8.276 1.692 -5.581 217 HG12 ILE 32 HG12 ILE 32 6.692 1.953 -3.072 218 HG13 ILE 32 HG11 ILE 32 7.052 0.336 -3.642 219 HG21 ILE 32 HG21 ILE 32 7.082 3.694 -6.174 220 HG22 ILE 32 HG22 ILE 32 7.794 3.872 -4.567 221 HG23 ILE 32 HG23 ILE 32 6.069 3.549 -4.737 222 HD11 ILE 32 HD11 ILE 32 9.328 0.608 -3.372 223 HD12 ILE 32 HD12 ILE 32 8.633 1.428 -1.952 224 HD13 ILE 32 HD13 ILE 32 9.207 2.371 -3.337 225 H TYR 33 HN TYR 33 5.007 -0.158 -4.102 226 HA TYR 33 HA TYR 33 2.657 1.600 -4.128 227 HB2 TYR 33 HB2 TYR 33 2.602 -1.424 -4.080 228 HB3 TYR 33 HB1 TYR 33 1.206 -0.360 -4.021 229 HD1 TYR 33 HD1 TYR 33 0.571 0.949 -6.013 230 HD2 TYR 33 HD2 TYR 33 3.663 -1.962 -6.144 231 HE1 TYR 33 HE1 TYR 33 0.420 0.918 -8.454 232 HE2 TYR 33 HE2 TYR 33 3.528 -2.003 -8.596 233 HH TYR 33 HH TYR 33 1.705 0.340 -10.373 234 H ALA 34 HN ALA 34 1.437 1.615 -2.224 235 HA ALA 34 HA ALA 34 2.925 0.943 0.199 236 HB1 ALA 34 HB1 ALA 34 1.565 3.111 -0.287 237 HB2 ALA 34 HB2 ALA 34 1.517 2.374 1.321 238 HB3 ALA 34 HB3 ALA 34 0.178 2.111 0.190 239 H ARG 35 HN ARG 35 2.617 -1.007 1.126 240 HA ARG 35 HA ARG 35 -0.133 -1.965 1.160 241 HB2 ARG 35 HB2 ARG 35 1.612 -3.113 -0.550 242 HB3 ARG 35 HB1 ARG 35 1.908 -4.096 0.874 243 HG2 ARG 35 HG2 ARG 35 0.213 -5.098 -0.545 244 HG3 ARG 35 HG1 ARG 35 -0.468 -4.620 1.012 245 HD2 ARG 35 HD2 ARG 35 -1.958 -4.013 -0.831 246 HD3 ARG 35 HD1 ARG 35 -1.368 -2.584 0.015 247 HE ARG 35 HE ARG 35 0.277 -3.198 -2.211 248 HH11 ARG 35 HH11 ARG 35 -2.844 -1.845 -1.420 249 HH12 ARG 35 HH12 ARG 35 -2.903 -0.833 -2.823 250 HH21 ARG 35 HH21 ARG 35 0.183 -1.879 -4.081 251 HH22 ARG 35 HH22 ARG 35 -1.189 -0.857 -4.340 252 H TYR 36 HN TYR 36 -0.781 -2.225 3.106 253 HA TYR 36 HA TYR 36 0.990 -2.363 5.372 254 HB2 TYR 36 HB2 TYR 36 -1.309 -1.249 5.319 255 HB3 TYR 36 HB1 TYR 36 -1.998 -2.869 5.319 256 HD1 TYR 36 HD1 TYR 36 0.210 -0.612 7.209 257 HD2 TYR 36 HD2 TYR 36 -2.312 -4.026 7.342 258 HE1 TYR 36 HE1 TYR 36 0.415 -0.629 9.637 259 HE2 TYR 36 HE2 TYR 36 -2.135 -4.064 9.789 260 HH TYR 36 HH TYR 36 -0.835 -1.453 11.575 261 H ASP 37 HN ASP 37 2.135 -4.294 4.837 262 HA ASP 37 HA ASP 37 0.736 -6.772 5.387 263 HB2 ASP 37 HB2 ASP 37 1.774 -6.043 2.698 264 HB3 ASP 37 HB1 ASP 37 2.135 -7.670 3.262 265 H LYS 38 HN LYS 38 2.555 -8.614 4.917 266 HA LYS 38 HA LYS 38 4.514 -8.221 6.908 267 HB2 LYS 38 HB2 LYS 38 4.446 -10.240 4.662 268 HB3 LYS 38 HB1 LYS 38 5.439 -10.360 6.098 269 HG2 LYS 38 HG2 LYS 38 3.499 -10.663 7.475 270 HG3 LYS 38 HG1 LYS 38 2.432 -10.357 6.105 271 HD2 LYS 38 HD2 LYS 38 4.269 -12.699 6.544 272 HD3 LYS 38 HD1 LYS 38 2.509 -12.710 6.405 273 HE2 LYS 38 HE2 LYS 38 2.740 -11.907 4.074 274 HE3 LYS 38 HE1 LYS 38 4.489 -12.043 4.238 275 HZ1 LYS 38 HZ1 LYS 38 3.448 -13.968 3.124 276 HZ2 LYS 38 HZ2 LYS 38 2.601 -14.316 4.553 277 HZ3 LYS 38 HZ3 LYS 38 4.297 -14.394 4.528 278 H GLY 39 HN GLY 39 6.765 -8.002 6.717 279 HA2 GLY 39 HA2 GLY 39 7.720 -6.732 4.283 280 HA3 GLY 39 HA1 GLY 39 8.643 -6.995 5.764 281 H ASN 40 HN ASN 40 10.307 -8.301 5.380 282 HA ASN 40 HA ASN 40 10.155 -10.400 3.409 283 HB2 ASN 40 HB2 ASN 40 12.273 -9.181 4.023 284 HB3 ASN 40 HB1 ASN 40 12.213 -9.951 5.606 285 HD21 ASN 40 HD21 ASN 40 12.752 -10.390 2.212 286 HD22 ASN 40 HD22 ASN 40 13.478 -11.961 2.305 287 H SER 41 HN SER 41 10.661 -12.742 4.238 288 HA SER 41 HA SER 41 8.556 -13.481 5.993 289 HB2 SER 41 HB2 SER 41 10.843 -15.089 4.843 290 HB3 SER 41 HB1 SER 41 9.521 -15.787 5.780 291 HG SER 41 HG SER 41 9.112 -15.907 3.541 292 H SER 42 HN SER 42 11.540 -12.237 6.657 293 HA SER 42 HA SER 42 11.932 -13.610 9.169 294 HB2 SER 42 HB2 SER 42 13.331 -11.151 8.100 295 HB3 SER 42 HB1 SER 42 13.878 -12.194 9.413 296 HG SER 42 HG SER 42 14.980 -12.949 7.713 297 H GLN 43 HN GLN 43 9.890 -11.168 8.098 298 HA GLN 43 HA GLN 43 9.923 -9.836 10.741 299 HB2 GLN 43 HB2 GLN 43 10.575 -8.460 8.688 300 HB3 GLN 43 HB1 GLN 43 8.910 -8.631 8.171 301 HG2 GLN 43 HG2 GLN 43 9.182 -6.511 9.241 302 HG3 GLN 43 HG1 GLN 43 8.161 -7.540 10.244 303 HE21 GLN 43 HE21 GLN 43 8.609 -6.369 12.111 304 HE22 GLN 43 HE22 GLN 43 10.144 -6.450 12.901 305 H GLN 44 HN GLN 44 7.843 -10.973 8.098 306 HA GLN 44 HA GLN 44 5.592 -10.899 7.803 307 HB2 GLN 44 HB2 GLN 44 5.788 -12.020 10.545 308 HB3 GLN 44 HB1 GLN 44 4.267 -11.913 9.690 309 HG2 GLN 44 HG2 GLN 44 4.807 -13.999 9.088 310 HG3 GLN 44 HG1 GLN 44 5.697 -13.152 7.827 311 HE21 GLN 44 HE21 GLN 44 6.182 -15.766 8.851 312 HE22 GLN 44 HE22 GLN 44 7.775 -15.766 9.529 313 H THR 45 HN THR 45 4.339 -10.462 10.862 314 HA THR 45 HA THR 45 2.826 -8.817 11.488 315 HB THR 45 HB THR 45 4.139 -6.887 12.522 316 HG1 THR 45 HG1 THR 45 6.250 -6.828 12.285 317 HG21 THR 45 HG21 THR 45 5.030 -8.329 14.300 318 HG22 THR 45 HG22 THR 45 4.810 -9.734 13.256 319 HG23 THR 45 HG23 THR 45 3.409 -8.807 13.798 320 H LYS 46 HN LYS 46 1.496 -7.865 10.010 321 HA LYS 46 HA LYS 46 2.430 -6.340 7.841 322 HB2 LYS 46 HB2 LYS 46 -0.280 -6.072 9.082 323 HB3 LYS 46 HB1 LYS 46 0.180 -5.627 7.457 324 HG2 LYS 46 HG2 LYS 46 0.812 -8.197 7.344 325 HG3 LYS 46 HG1 LYS 46 -0.443 -8.275 8.585 326 HD2 LYS 46 HD2 LYS 46 -1.869 -6.866 7.026 327 HD3 LYS 46 HD1 LYS 46 -0.659 -7.194 5.797 328 HE2 LYS 46 HE2 LYS 46 -1.006 -9.634 6.184 329 HE3 LYS 46 HE1 LYS 46 -2.357 -9.208 7.235 330 HZ1 LYS 46 HZ1 LYS 46 -3.136 -9.707 5.021 331 HZ2 LYS 46 HZ2 LYS 46 -2.105 -8.536 4.355 332 HZ3 LYS 46 HZ3 LYS 46 -3.391 -8.066 5.362 333 H GLU 47 HN GLU 47 3.294 -4.428 7.827 334 HA GLU 47 HA GLU 47 1.972 -2.269 9.307 335 HB2 GLU 47 HB2 GLU 47 4.968 -2.666 9.236 336 HB3 GLU 47 HB1 GLU 47 4.184 -1.152 9.666 337 HG2 GLU 47 HG2 GLU 47 3.099 -2.234 11.548 338 HG3 GLU 47 HG1 GLU 47 3.850 -3.757 11.105 339 H TRP 48 HN TRP 48 2.231 -0.219 8.271 340 HA TRP 48 HA TRP 48 2.161 -0.327 5.500 341 HB2 TRP 48 HB2 TRP 48 2.562 1.892 7.455 342 HB3 TRP 48 HB1 TRP 48 2.713 2.172 5.728 343 HD1 TRP 48 HD1 TRP 48 0.237 2.466 8.317 344 HE1 TRP 48 HE1 TRP 48 -2.140 2.468 7.321 345 HE3 TRP 48 HE3 TRP 48 1.287 0.608 3.688 346 HZ2 TRP 48 HZ2 TRP 48 -3.410 1.726 4.921 347 HZ3 TRP 48 HZ3 TRP 48 -0.555 0.266 2.103 348 HH2 TRP 48 HH2 TRP 48 -2.856 0.805 2.706 349 H ARG 49 HN ARG 49 3.765 -0.828 4.189 350 HA ARG 49 HA ARG 49 6.357 0.435 4.636 351 HB2 ARG 49 HB2 ARG 49 5.875 -2.513 4.129 352 HB3 ARG 49 HB1 ARG 49 7.450 -1.742 3.974 353 HG2 ARG 49 HG2 ARG 49 7.694 -1.466 6.229 354 HG3 ARG 49 HG1 ARG 49 5.964 -1.417 6.536 355 HD2 ARG 49 HD2 ARG 49 5.953 -3.878 5.877 356 HD3 ARG 49 HD1 ARG 49 7.710 -3.798 6.024 357 HE ARG 49 HE ARG 49 6.833 -2.751 8.356 358 HH11 ARG 49 HH11 ARG 49 6.001 -5.686 6.679 359 HH12 ARG 49 HH12 ARG 49 5.764 -6.605 8.138 360 HH21 ARG 49 HH21 ARG 49 6.553 -3.953 10.281 361 HH22 ARG 49 HH22 ARG 49 6.076 -5.621 10.169 362 H CYS 50 HN CYS 50 7.727 0.069 2.546 363 HA CYS 50 HA CYS 50 5.901 0.631 0.323 364 HB2 CYS 50 HB2 CYS 50 7.574 1.911 -0.653 365 HB3 CYS 50 HB1 CYS 50 8.037 2.100 1.027 366 HG CYS 50 HG CYS 50 9.433 -0.558 -0.401 367 H TYR 51 HN TYR 51 5.553 -0.918 -1.078 368 HA TYR 51 HA TYR 51 7.654 -2.942 -1.450 369 HB2 TYR 51 HB2 TYR 51 4.663 -3.385 -1.575 370 HB3 TYR 51 HB1 TYR 51 5.894 -4.610 -1.829 371 HD1 TYR 51 HD1 TYR 51 7.725 -4.150 0.342 372 HD2 TYR 51 HD2 TYR 51 3.490 -3.980 0.315 373 HE1 TYR 51 HE1 TYR 51 7.690 -4.718 2.741 374 HE2 TYR 51 HE2 TYR 51 3.434 -4.534 2.708 375 HH TYR 51 HH TYR 51 6.181 -4.433 4.667 376 H ILE 52 HN ILE 52 8.446 -2.672 -3.451 377 HA ILE 52 HA ILE 52 6.973 -1.324 -5.458 378 HB ILE 52 HB ILE 52 8.813 -2.525 -6.952 379 HG12 ILE 52 HG12 ILE 52 10.014 -2.476 -4.222 380 HG13 ILE 52 HG11 ILE 52 9.646 -3.932 -5.157 381 HG21 ILE 52 HG21 ILE 52 10.165 -0.583 -6.672 382 HG22 ILE 52 HG22 ILE 52 9.515 -0.308 -5.056 383 HG23 ILE 52 HG23 ILE 52 8.481 -0.090 -6.474 384 HD11 ILE 52 HD11 ILE 52 12.028 -3.211 -5.266 385 HD12 ILE 52 HD12 ILE 52 11.488 -1.752 -6.112 386 HD13 ILE 52 HD13 ILE 52 11.225 -3.351 -6.830 387 H GLU 53 HN GLU 53 6.145 -2.231 -7.427 388 HA GLU 53 HA GLU 53 4.343 -4.276 -7.141 389 HB2 GLU 53 HB2 GLU 53 4.290 -2.650 -8.954 390 HB3 GLU 53 HB1 GLU 53 5.715 -3.373 -9.680 391 HG2 GLU 53 HG2 GLU 53 4.503 -5.426 -10.076 392 HG3 GLU 53 HG1 GLU 53 3.076 -4.754 -9.268 393 H LYS 54 HN LYS 54 7.662 -4.378 -7.905 394 HA LYS 54 HA LYS 54 8.113 -6.864 -8.963 395 HB2 LYS 54 HB2 LYS 54 9.719 -5.346 -6.888 396 HB3 LYS 54 HB1 LYS 54 10.352 -6.623 -7.907 397 HG2 LYS 54 HG2 LYS 54 9.601 -5.163 -9.883 398 HG3 LYS 54 HG1 LYS 54 9.448 -3.875 -8.690 399 HD2 LYS 54 HD2 LYS 54 11.593 -3.633 -9.639 400 HD3 LYS 54 HD1 LYS 54 11.849 -4.368 -8.055 401 HE2 LYS 54 HE2 LYS 54 12.130 -6.533 -9.041 402 HE3 LYS 54 HE1 LYS 54 11.670 -5.921 -10.628 403 HZ1 LYS 54 HZ1 LYS 54 14.092 -5.134 -9.109 404 HZ2 LYS 54 HZ2 LYS 54 13.649 -4.534 -10.626 405 HZ3 LYS 54 HZ3 LYS 54 14.055 -6.171 -10.444 406 H GLU 55 HN GLU 55 7.402 -5.946 -5.667 407 HA GLU 55 HA GLU 55 8.125 -8.615 -4.711 408 HB2 GLU 55 HB2 GLU 55 7.748 -6.097 -3.136 409 HB3 GLU 55 HB1 GLU 55 8.495 -7.586 -2.592 410 HG2 GLU 55 HG2 GLU 55 9.577 -5.963 -4.882 411 HG3 GLU 55 HG1 GLU 55 10.054 -5.706 -3.196 412 H LEU 56 HN LEU 56 5.360 -6.563 -5.151 413 HA LEU 56 HA LEU 56 3.701 -7.828 -3.205 414 HB2 LEU 56 HB2 LEU 56 3.127 -6.131 -5.615 415 HB3 LEU 56 HB1 LEU 56 1.844 -6.891 -4.712 416 HG LEU 56 HG LEU 56 2.617 -5.624 -2.661 417 HD11 LEU 56 HD11 LEU 56 4.901 -5.249 -3.420 418 HD12 LEU 56 HD12 LEU 56 4.087 -3.718 -3.097 419 HD13 LEU 56 HD13 LEU 56 4.316 -4.266 -4.759 420 HD21 LEU 56 HD21 LEU 56 1.875 -4.001 -5.116 421 HD22 LEU 56 HD22 LEU 56 1.689 -3.498 -3.429 422 HD23 LEU 56 HD23 LEU 56 0.749 -4.856 -4.052 423 H ASP 57 HN ASP 57 1.752 -9.000 -3.847 424 HA ASP 57 HA ASP 57 2.088 -10.625 -6.281 425 HB2 ASP 57 HB2 ASP 57 2.363 -11.836 -3.987 426 HB3 ASP 57 HB1 ASP 57 0.622 -11.626 -3.849 427 H PHE 58 HN PHE 58 0.601 -9.966 -7.685 428 HA PHE 58 HA PHE 58 -1.826 -8.697 -6.725 429 HB2 PHE 58 HB2 PHE 58 -0.495 -8.959 -9.387 430 HB3 PHE 58 HB1 PHE 58 -2.211 -8.569 -9.321 431 HD1 PHE 58 HD1 PHE 58 1.171 -7.402 -8.521 432 HD2 PHE 58 HD2 PHE 58 -2.987 -6.478 -8.492 433 HE1 PHE 58 HE1 PHE 58 1.711 -5.035 -8.130 434 HE2 PHE 58 HE2 PHE 58 -2.451 -4.100 -8.113 435 HZ PHE 58 HZ PHE 58 -0.102 -3.378 -7.928 436 H SER 59 HN SER 59 -0.985 -11.786 -6.983 437 HA SER 59 HA SER 59 -3.549 -12.714 -8.009 438 HB2 SER 59 HB2 SER 59 -1.597 -14.492 -6.640 439 HB3 SER 59 HB1 SER 59 -2.648 -14.839 -8.003 440 HG SER 59 HG SER 59 -0.164 -13.529 -7.942 441 H LYS 60 HN LYS 60 -2.245 -11.435 -5.277 442 HA LYS 60 HA LYS 60 -4.060 -12.820 -3.439 443 HB2 LYS 60 HB2 LYS 60 -1.478 -11.406 -3.136 444 HB3 LYS 60 HB1 LYS 60 -2.677 -11.059 -1.923 445 HG2 LYS 60 HG2 LYS 60 -1.234 -12.795 -1.138 446 HG3 LYS 60 HG1 LYS 60 -2.849 -13.442 -1.394 447 HD2 LYS 60 HD2 LYS 60 -0.779 -13.668 -3.543 448 HD3 LYS 60 HD1 LYS 60 -0.753 -14.784 -2.180 449 HE2 LYS 60 HE2 LYS 60 -3.088 -14.328 -4.034 450 HE3 LYS 60 HE1 LYS 60 -1.969 -15.686 -4.121 451 HZ1 LYS 60 HZ1 LYS 60 -2.694 -16.365 -1.908 452 HZ2 LYS 60 HZ2 LYS 60 -3.997 -16.301 -2.987 453 HZ3 LYS 60 HZ3 LYS 60 -3.785 -15.065 -1.850 454 H SER 61 HN SER 61 -5.933 -11.841 -3.004 455 HA SER 61 HA SER 61 -6.167 -8.981 -3.327 456 HB2 SER 61 HB2 SER 61 -8.462 -9.554 -2.172 457 HB3 SER 61 HB1 SER 61 -8.196 -9.931 -3.874 458 HG SER 61 HG SER 61 -9.086 -11.713 -2.714 459 H GLY 62 HN GLY 62 -5.636 -7.627 -1.734 460 HA2 GLY 62 HA2 GLY 62 -4.939 -8.904 0.830 461 HA3 GLY 62 HA1 GLY 62 -3.969 -7.656 0.067 462 H ASP 63 HN ASP 63 -5.900 -8.215 2.552 463 HA ASP 63 HA ASP 63 -7.405 -5.754 2.610 464 HB2 ASP 63 HB2 ASP 63 -6.771 -7.759 4.794 465 HB3 ASP 63 HB1 ASP 63 -7.882 -6.405 4.965 466 H GLY 64 HN GLY 64 -4.589 -5.495 2.124 467 HA2 GLY 64 HA2 GLY 64 -3.728 -4.119 4.593 468 HA3 GLY 64 HA1 GLY 64 -2.603 -4.916 3.500 469 H CYS 65 HN CYS 65 -5.042 -3.467 1.774 470 HA CYS 65 HA CYS 65 -3.398 -1.128 1.081 471 HB2 CYS 65 HB2 CYS 65 -6.126 -1.880 -0.010 472 HB3 CYS 65 HB1 CYS 65 -4.877 -0.912 -0.782 473 HG CYS 65 HG CYS 65 -4.969 -4.305 -0.404 474 H VAL 66 HN VAL 66 -4.496 1.003 1.102 475 HA VAL 66 HA VAL 66 -6.724 1.059 3.025 476 HB VAL 66 HB VAL 66 -5.071 2.362 4.031 477 HG11 VAL 66 HG11 VAL 66 -3.528 2.420 2.166 478 HG12 VAL 66 HG12 VAL 66 -3.730 4.028 2.868 479 HG13 VAL 66 HG13 VAL 66 -4.539 3.620 1.349 480 HG21 VAL 66 HG21 VAL 66 -6.534 4.458 2.463 481 HG22 VAL 66 HG22 VAL 66 -5.910 4.562 4.118 482 HG23 VAL 66 HG23 VAL 66 -7.289 3.514 3.752 483 H ASP 67 HN ASP 67 -8.469 2.299 2.527 484 HA ASP 67 HA ASP 67 -8.974 2.504 -0.317 485 HB2 ASP 67 HB2 ASP 67 -10.578 1.478 1.357 486 HB3 ASP 67 HB1 ASP 67 -10.844 3.108 1.971 487 H ASP 68 HN ASP 68 -10.909 4.768 0.045 488 HA ASP 68 HA ASP 68 -8.966 6.873 -0.251 489 HB2 ASP 68 HB2 ASP 68 -10.854 8.417 -0.544 490 HB3 ASP 68 HB1 ASP 68 -10.981 7.021 -1.598 491 H CYS 69 HN CYS 69 -11.018 5.707 2.303 492 HA CYS 69 HA CYS 69 -9.940 7.811 4.069 493 HB2 CYS 69 HB2 CYS 69 -12.410 7.328 4.112 494 HB3 CYS 69 HB1 CYS 69 -12.037 5.696 4.647 495 HG CYS 69 HG CYS 69 -12.552 8.318 6.458 496 H GLY 70 HN GLY 70 -8.982 6.979 6.162 497 HA2 GLY 70 HA2 GLY 70 -7.089 4.917 5.429 498 HA3 GLY 70 HA1 GLY 70 -7.070 5.854 6.925 499 H SER 71 HN SER 71 -8.950 3.417 5.245 500 HA SER 71 HA SER 71 -8.863 1.721 7.629 501 HB2 SER 71 HB2 SER 71 -11.244 2.137 5.796 502 HB3 SER 71 HB1 SER 71 -11.164 0.963 7.111 503 HG SER 71 HG SER 71 -12.140 3.237 7.413 504 H MET 72 HN MET 72 -8.022 -0.239 7.102 505 HA MET 72 HA MET 72 -6.898 -0.544 4.586 506 HB2 MET 72 HB2 MET 72 -6.345 -2.868 5.324 507 HB3 MET 72 HB1 MET 72 -5.751 -1.549 6.328 508 HG2 MET 72 HG2 MET 72 -7.391 -1.892 7.935 509 HG3 MET 72 HG1 MET 72 -8.306 -2.930 6.856 510 HE1 MET 72 HE1 MET 72 -7.183 -5.352 9.758 511 HE2 MET 72 HE2 MET 72 -8.553 -4.692 8.864 512 HE3 MET 72 HE3 MET 72 -7.600 -3.646 9.917 513 H THR 73 HN THR 73 -7.747 -0.995 2.768 514 HA THR 73 HA THR 73 -10.290 -2.424 2.645 515 HB THR 73 HB THR 73 -10.139 -0.164 1.584 516 HG1 THR 73 HG1 THR 73 -10.569 -1.764 -0.617 517 HG21 THR 73 HG21 THR 73 -7.783 -0.418 0.771 518 HG22 THR 73 HG22 THR 73 -8.917 0.161 -0.450 519 HG23 THR 73 HG23 THR 73 -8.382 -1.525 -0.471 520 H SER 74 HN SER 74 -10.573 -4.133 1.133 521 HA SER 74 HA SER 74 -8.180 -5.718 0.851 522 HB2 SER 74 HB2 SER 74 -10.793 -6.629 -0.160 523 HB3 SER 74 HB1 SER 74 -9.570 -7.526 0.725 524 HG SER 74 HG SER 74 -10.357 -6.815 2.601 525 H CYS 75 HN CYS 75 -6.971 -5.166 -0.865 526 HA CYS 75 HA CYS 75 -8.242 -5.110 -3.505 527 HB2 CYS 75 HB2 CYS 75 -6.325 -3.033 -2.466 528 HB3 CYS 75 HB1 CYS 75 -6.882 -3.142 -4.123 529 HG CYS 75 HG CYS 75 -9.657 -3.041 -2.787 530 H ARG 76 HN ARG 76 -6.696 -5.507 -5.274 531 HA ARG 76 HA ARG 76 -4.990 -7.654 -4.428 532 HB2 ARG 76 HB2 ARG 76 -5.872 -6.642 -7.085 533 HB3 ARG 76 HB1 ARG 76 -4.510 -7.743 -6.980 534 HG2 ARG 76 HG2 ARG 76 -6.261 -9.189 -7.263 535 HG3 ARG 76 HG1 ARG 76 -6.093 -9.156 -5.518 536 HD2 ARG 76 HD2 ARG 76 -8.172 -8.473 -5.334 537 HD3 ARG 76 HD1 ARG 76 -7.745 -7.018 -6.233 538 HE ARG 76 HE ARG 76 -8.520 -9.481 -7.654 539 HH11 ARG 76 HH11 ARG 76 -9.067 -6.082 -6.951 540 HH12 ARG 76 HH12 ARG 76 -10.281 -5.900 -8.186 541 HH21 ARG 76 HH21 ARG 76 -10.107 -9.224 -9.273 542 HH22 ARG 76 HH22 ARG 76 -10.852 -7.674 -9.513 543 H GLY 77 HN GLY 77 -3.007 -7.458 -3.834 544 HA2 GLY 77 HA2 GLY 77 -0.860 -6.906 -5.262 545 HA3 GLY 77 HA1 GLY 77 -1.332 -5.283 -4.800 546 H SER 78 HN SER 78 -0.514 -8.440 -3.482 547 HA SER 78 HA SER 78 0.347 -7.056 -1.050 548 HB2 SER 78 HB2 SER 78 -1.827 -9.042 -1.351 549 HB3 SER 78 HB1 SER 78 -0.815 -9.213 0.072 550 HG SER 78 HG SER 78 -1.401 -7.154 0.720 551 H VAL 79 HN VAL 79 1.837 -7.985 0.178 552 HA VAL 79 HA VAL 79 3.728 -9.539 -1.198 553 HB VAL 79 HB VAL 79 3.625 -8.839 1.721 554 HG11 VAL 79 HG11 VAL 79 6.036 -9.518 0.052 555 HG12 VAL 79 HG12 VAL 79 5.226 -10.655 1.131 556 HG13 VAL 79 HG13 VAL 79 5.990 -9.208 1.789 557 HG21 VAL 79 HG21 VAL 79 4.891 -7.380 -0.584 558 HG22 VAL 79 HG22 VAL 79 5.051 -6.940 1.116 559 HG23 VAL 79 HG23 VAL 79 3.472 -6.864 0.328 560 H SER 80 HN SER 80 3.167 -11.587 -1.682 561 HA SER 80 HA SER 80 1.709 -13.265 0.105 562 HB2 SER 80 HB2 SER 80 2.270 -15.038 -1.627 563 HB3 SER 80 HB1 SER 80 1.372 -13.640 -2.216 564 HG SER 80 HG SER 80 2.965 -13.820 -3.665 565 H GLY 81 HN GLY 81 4.929 -13.686 -1.340 566 HA2 GLY 81 HA2 GLY 81 5.816 -15.251 0.949 567 HA3 GLY 81 HA1 GLY 81 6.744 -14.913 -0.508 568 HA PRO 82 HA PRO 82 8.664 -12.099 2.519 569 HB2 PRO 82 HB2 PRO 82 11.123 -12.515 1.572 570 HB3 PRO 82 HB1 PRO 82 10.394 -13.528 2.814 571 HG2 PRO 82 HG2 PRO 82 10.592 -14.015 -0.140 572 HG3 PRO 82 HG1 PRO 82 10.908 -15.130 1.201 573 HD2 PRO 82 HD2 PRO 82 8.612 -15.155 -0.188 574 HD3 PRO 82 HD1 PRO 82 8.668 -15.520 1.550 575 H SER 83 HN SER 83 8.531 -10.003 1.922 576 HA SER 83 HA SER 83 9.271 -9.266 -0.798 577 HB2 SER 83 HB2 SER 83 8.573 -6.987 -0.113 578 HB3 SER 83 HB1 SER 83 7.293 -8.170 0.082 579 HG SER 83 HG SER 83 7.551 -8.100 2.252 580 H THR 84 HN THR 84 11.165 -8.322 -1.330 581 HA THR 84 HA THR 84 13.106 -8.072 0.874 582 HB THR 84 HB THR 84 14.035 -8.131 -1.940 583 HG1 THR 84 HG1 THR 84 12.242 -9.852 -1.326 584 HG21 THR 84 HG21 THR 84 15.616 -8.025 -0.102 585 HG22 THR 84 HG22 THR 84 15.756 -9.585 -0.914 586 HG23 THR 84 HG23 THR 84 14.905 -9.464 0.628 587 H SER 85 HN SER 85 12.262 -6.663 -2.265 588 HA SER 85 HA SER 85 13.643 -4.211 -1.731 589 HB2 SER 85 HB2 SER 85 11.566 -4.846 -3.872 590 HB3 SER 85 HB1 SER 85 12.702 -3.495 -3.881 591 HG SER 85 HG SER 85 13.147 -5.762 -4.970 592 H HIS 86 HN HIS 86 12.750 -3.492 0.256 593 HA HIS 86 HA HIS 86 10.170 -2.220 0.049 594 HB2 HIS 86 HB2 HIS 86 9.052 -3.409 1.740 595 HB3 HIS 86 HB1 HIS 86 9.713 -4.619 0.657 596 HD1 HIS 86 HD1 HIS 86 12.189 -5.599 1.629 597 HD2 HIS 86 HD2 HIS 86 9.480 -3.977 4.333 598 HE1 HIS 86 HE1 HIS 86 12.818 -6.554 3.871 599 HE2 HIS 86 HE2 HIS 86 11.294 -5.391 5.516 600 H LEU 87 HN LEU 87 9.637 -0.894 1.855 601 HA LEU 87 HA LEU 87 11.878 -0.158 3.624 602 HB2 LEU 87 HB2 LEU 87 10.194 1.671 1.910 603 HB3 LEU 87 HB1 LEU 87 11.228 2.252 3.202 604 HG LEU 87 HG LEU 87 12.329 0.610 0.926 605 HD11 LEU 87 HD11 LEU 87 11.101 2.500 -0.048 606 HD12 LEU 87 HD12 LEU 87 12.851 2.645 -0.273 607 HD13 LEU 87 HD13 LEU 87 12.036 3.608 0.964 608 HD21 LEU 87 HD21 LEU 87 13.761 0.900 2.860 609 HD22 LEU 87 HD22 LEU 87 13.543 2.648 2.783 610 HD23 LEU 87 HD23 LEU 87 14.393 1.807 1.486 611 H THR 88 HN THR 88 11.137 -0.291 5.684 612 HA THR 88 HA THR 88 8.317 -0.213 6.226 613 HB THR 88 HB THR 88 10.479 -0.111 8.299 614 HG1 THR 88 HG1 THR 88 10.454 -2.403 8.228 615 HG21 THR 88 HG21 THR 88 8.342 0.250 9.237 616 HG22 THR 88 HG22 THR 88 8.763 -1.437 9.571 617 HG23 THR 88 HG23 THR 88 7.639 -1.045 8.270 618 H ARG 89 HN ARG 89 7.630 1.849 5.623 619 HA ARG 89 HA ARG 89 8.353 3.870 7.647 620 HB2 ARG 89 HB2 ARG 89 7.277 4.518 4.905 621 HB3 ARG 89 HB1 ARG 89 8.076 5.592 6.036 622 HG2 ARG 89 HG2 ARG 89 9.577 3.298 4.886 623 HG3 ARG 89 HG1 ARG 89 9.322 4.759 3.936 624 HD2 ARG 89 HD2 ARG 89 10.280 6.060 5.843 625 HD3 ARG 89 HD1 ARG 89 10.705 4.522 6.589 626 HE ARG 89 HE ARG 89 11.761 4.557 4.001 627 HH11 ARG 89 HH11 ARG 89 12.190 6.150 7.085 628 HH12 ARG 89 HH12 ARG 89 13.856 6.568 6.784 629 HH21 ARG 89 HH21 ARG 89 13.961 5.110 3.595 630 HH22 ARG 89 HH22 ARG 89 14.859 5.981 4.799 631 HA PRO 90 HA PRO 90 3.874 2.541 7.629 632 HB2 PRO 90 HB2 PRO 90 4.121 1.909 10.427 633 HB3 PRO 90 HB1 PRO 90 3.712 0.848 9.096 634 HG2 PRO 90 HG2 PRO 90 6.063 0.687 10.475 635 HG3 PRO 90 HG1 PRO 90 5.861 0.180 8.793 636 HD2 PRO 90 HD2 PRO 90 7.084 2.667 9.871 637 HD3 PRO 90 HD1 PRO 90 7.541 1.695 8.478 638 H SER 91 HN SER 91 5.583 4.351 10.127 639 HA SER 91 HA SER 91 3.318 5.761 11.071 640 HB2 SER 91 HB2 SER 91 5.551 5.529 12.245 641 HB3 SER 91 HB1 SER 91 6.190 6.712 11.105 642 HG SER 91 HG SER 91 5.326 8.228 12.260 643 H GLU 92 HN GLU 92 5.299 6.042 8.284 644 HA GLU 92 HA GLU 92 4.589 8.822 7.806 645 HB2 GLU 92 HB2 GLU 92 6.918 7.922 7.486 646 HB3 GLU 92 HB1 GLU 92 6.309 7.013 6.112 647 HG2 GLU 92 HG2 GLU 92 7.448 9.098 5.514 648 HG3 GLU 92 HG1 GLU 92 5.791 9.011 4.924 649 H LEU 93 HN LEU 93 3.964 5.600 6.442 650 HA LEU 93 HA LEU 93 2.426 6.491 4.233 651 HB2 LEU 93 HB2 LEU 93 2.695 3.930 5.715 652 HB3 LEU 93 HB1 LEU 93 1.256 4.140 4.746 653 HG LEU 93 HG LEU 93 2.788 2.942 3.417 654 HD11 LEU 93 HD11 LEU 93 3.245 4.473 1.546 655 HD12 LEU 93 HD12 LEU 93 2.859 5.838 2.596 656 HD13 LEU 93 HD13 LEU 93 1.614 4.655 2.194 657 HD21 LEU 93 HD21 LEU 93 4.838 3.382 4.631 658 HD22 LEU 93 HD22 LEU 93 4.850 5.048 4.051 659 HD23 LEU 93 HD23 LEU 93 5.057 3.717 2.911 660 H GLN 94 HN GLN 94 1.473 5.476 7.495 661 HA GLN 94 HA GLN 94 -1.325 5.843 7.098 662 HB2 GLN 94 HB2 GLN 94 -0.032 4.482 8.887 663 HB3 GLN 94 HB1 GLN 94 0.082 6.007 9.745 664 HG2 GLN 94 HG2 GLN 94 -1.723 4.658 10.587 665 HG3 GLN 94 HG1 GLN 94 -2.339 6.139 9.871 666 HE21 GLN 94 HE21 GLN 94 -3.762 5.988 8.144 667 HE22 GLN 94 HE22 GLN 94 -4.346 4.485 7.559 668 H ALA 95 HN ALA 95 1.268 7.931 7.510 669 HA ALA 95 HA ALA 95 0.006 10.113 8.828 670 HB1 ALA 95 HB1 ALA 95 2.375 10.285 7.015 671 HB2 ALA 95 HB2 ALA 95 2.490 9.621 8.649 672 HB3 ALA 95 HB3 ALA 95 1.976 11.296 8.407 673 H VAL 96 HN VAL 96 0.885 9.440 5.437 674 HA VAL 96 HA VAL 96 -0.386 11.795 4.488 675 HB VAL 96 HB VAL 96 0.963 11.354 2.751 676 HG11 VAL 96 HG11 VAL 96 0.997 8.438 3.475 677 HG12 VAL 96 HG12 VAL 96 2.135 9.650 4.068 678 HG13 VAL 96 HG13 VAL 96 2.080 9.255 2.342 679 HG21 VAL 96 HG21 VAL 96 0.106 9.947 0.982 680 HG22 VAL 96 HG22 VAL 96 -1.238 10.805 1.756 681 HG23 VAL 96 HG23 VAL 96 -0.935 9.101 2.128 682 H ILE 97 HN ILE 97 -1.325 8.531 5.170 683 HA ILE 97 HA ILE 97 -3.837 8.558 3.956 684 HB ILE 97 HB ILE 97 -2.746 7.292 6.427 685 HG12 ILE 97 HG12 ILE 97 -4.167 5.849 4.250 686 HG13 ILE 97 HG11 ILE 97 -2.598 6.557 3.874 687 HG21 ILE 97 HG21 ILE 97 -5.065 7.999 6.933 688 HG22 ILE 97 HG22 ILE 97 -4.843 6.246 6.914 689 HG23 ILE 97 HG23 ILE 97 -5.609 7.055 5.546 690 HD11 ILE 97 HD11 ILE 97 -1.504 5.233 5.450 691 HD12 ILE 97 HD12 ILE 97 -2.636 4.148 4.637 692 HD13 ILE 97 HD13 ILE 97 -3.013 4.777 6.239 693 H ASP 98 HN ASP 98 -2.951 9.411 7.263 694 HA ASP 98 HA ASP 98 -5.289 10.743 7.949 695 HB2 ASP 98 HB2 ASP 98 -2.504 10.691 8.940 696 HB3 ASP 98 HB1 ASP 98 -3.551 11.995 9.514 697 H SER 99 HN SER 99 -2.401 11.999 6.365 698 HA SER 99 HA SER 99 -3.235 14.727 6.488 699 HB2 SER 99 HB2 SER 99 -0.899 14.263 6.388 700 HB3 SER 99 HB1 SER 99 -1.077 13.336 4.896 701 HG SER 99 HG SER 99 -0.951 16.077 5.302 702 H ASP 100 HN ASP 100 -2.912 12.434 3.748 703 HA ASP 100 HA ASP 100 -4.237 14.206 1.955 704 HB2 ASP 100 HB2 ASP 100 -2.893 11.688 1.817 705 HB3 ASP 100 HB1 ASP 100 -4.226 11.774 0.759 706 H LYS 101 HN LYS 101 -5.453 12.023 4.274 707 HA LYS 101 HA LYS 101 -7.879 11.269 3.138 708 HB2 LYS 101 HB2 LYS 101 -6.829 11.643 5.826 709 HB3 LYS 101 HB1 LYS 101 -8.547 12.030 5.732 710 HG2 LYS 101 HG2 LYS 101 -9.135 9.887 5.425 711 HG3 LYS 101 HG1 LYS 101 -7.735 9.531 4.420 712 HD2 LYS 101 HD2 LYS 101 -7.673 8.282 6.523 713 HD3 LYS 101 HD1 LYS 101 -6.340 9.413 6.395 714 HE2 LYS 101 HE2 LYS 101 -7.414 10.944 7.873 715 HE3 LYS 101 HE1 LYS 101 -8.874 9.960 7.910 716 HZ1 LYS 101 HZ1 LYS 101 -7.536 9.631 9.893 717 HZ2 LYS 101 HZ2 LYS 101 -6.205 9.161 8.959 718 HZ3 LYS 101 HZ3 LYS 101 -7.603 8.200 8.989 719 H SER 102 HN SER 102 -6.735 14.412 4.076 720 HA SER 102 HA SER 102 -9.205 15.803 3.995 721 HB2 SER 102 HB2 SER 102 -6.500 16.915 3.216 722 HB3 SER 102 HB1 SER 102 -7.881 17.802 3.864 723 HG SER 102 HG SER 102 -5.964 16.290 5.165 724 H ASN 103 HN ASN 103 -7.039 14.560 1.613 725 HA ASN 103 HA ASN 103 -8.253 15.986 -0.605 726 HB2 ASN 103 HB2 ASN 103 -5.731 15.301 -0.344 727 HB3 ASN 103 HB1 ASN 103 -6.300 13.731 -0.897 728 HD21 ASN 103 HD21 ASN 103 -5.054 13.910 -2.775 729 HD22 ASN 103 HD22 ASN 103 -5.557 14.914 -4.101 730 H TYR 104 HN TYR 104 -8.168 12.803 0.844 731 HA TYR 104 HA TYR 104 -10.599 12.081 -0.614 732 HB2 TYR 104 HB2 TYR 104 -8.904 9.757 -0.362 733 HB3 TYR 104 HB1 TYR 104 -9.695 10.385 -1.797 734 HD1 TYR 104 HD2 TYR 104 -6.642 10.953 0.322 735 HD2 TYR 104 HD1 TYR 104 -8.404 11.124 -3.552 736 HE1 TYR 104 HE2 TYR 104 -4.461 11.518 -0.635 737 HE2 TYR 104 HE1 TYR 104 -6.231 11.683 -4.536 738 HH TYR 104 HH TYR 104 -3.291 11.551 -2.657 739 H CYS 105 HN CYS 105 -11.974 11.588 0.989 740 HA CYS 105 HA CYS 105 -11.396 9.394 2.664 741 HB2 CYS 105 HB2 CYS 105 -10.341 10.759 4.194 742 HB3 CYS 105 HB1 CYS 105 -11.381 12.139 3.857 743 HG CYS 105 HG CYS 105 -13.539 11.202 5.320 744 H THR 106 HN THR 106 -13.138 8.329 3.218 745 HA THR 106 HA THR 106 -15.761 9.525 2.716 746 HB THR 106 HB THR 106 -16.393 7.001 3.084 747 HG1 THR 106 HG1 THR 106 -13.722 6.712 2.144 748 HG21 THR 106 HG21 THR 106 -15.952 6.551 0.718 749 HG22 THR 106 HG22 THR 106 -14.918 7.982 0.652 750 HG23 THR 106 HG23 THR 106 -16.648 8.152 0.972 751 H ASP 107 HN ASP 107 -17.474 9.151 4.261 752 HA ASP 107 HA ASP 107 -16.530 9.380 6.986 753 HB2 ASP 107 HB2 ASP 107 -18.860 9.921 7.545 754 HB3 ASP 107 HB1 ASP 107 -18.274 10.911 6.214 755 H LYS 108 HN LYS 108 -18.394 7.089 5.036 756 HA LYS 108 HA LYS 108 -18.338 5.253 7.335 757 HB2 LYS 108 HB2 LYS 108 -19.955 3.865 5.956 758 HB3 LYS 108 HB1 LYS 108 -20.566 5.386 6.575 759 HG2 LYS 108 HG2 LYS 108 -21.378 5.115 4.360 760 HG3 LYS 108 HG1 LYS 108 -20.167 6.392 4.335 761 HD2 LYS 108 HD2 LYS 108 -18.531 4.861 3.384 762 HD3 LYS 108 HD1 LYS 108 -19.672 3.519 3.488 763 HE2 LYS 108 HE2 LYS 108 -20.074 6.027 1.861 764 HE3 LYS 108 HE1 LYS 108 -19.526 4.477 1.223 765 HZ1 LYS 108 HZ1 LYS 108 -21.888 4.773 0.879 766 HZ2 LYS 108 HZ2 LYS 108 -22.139 4.983 2.541 767 HZ3 LYS 108 HZ3 LYS 108 -21.608 3.487 1.948 768 H SER 109 HN SER 109 -16.590 6.021 4.729 769 HA SER 109 HA SER 109 -15.351 5.031 3.137 770 HB2 SER 109 HB2 SER 109 -13.896 3.128 4.033 771 HB3 SER 109 HB1 SER 109 -13.777 4.699 4.816 772 HG SER 109 HG SER 109 -15.623 2.858 5.835 773 H GLU 110 HN GLU 110 -16.700 4.399 1.612 774 HA GLU 110 HA GLU 110 -18.387 2.160 1.690 775 HB2 GLU 110 HB2 GLU 110 -18.541 4.068 0.071 776 HB3 GLU 110 HB1 GLU 110 -17.109 3.456 -0.742 777 HG2 GLU 110 HG2 GLU 110 -19.059 2.799 -1.964 778 HG3 GLU 110 HG1 GLU 110 -18.318 1.372 -1.238 779 H GLN 111 HN GLN 111 -15.178 2.731 0.392 780 HA GLN 111 HA GLN 111 -13.356 1.502 0.036 781 HB2 GLN 111 HB2 GLN 111 -12.762 -0.084 1.551 782 HB3 GLN 111 HB1 GLN 111 -14.110 0.652 2.403 783 HG2 GLN 111 HG2 GLN 111 -15.574 -1.125 1.830 784 HG3 GLN 111 HG1 GLN 111 -14.409 -1.805 0.699 785 HE21 GLN 111 HE21 GLN 111 -12.153 -1.416 2.476 786 HE22 GLN 111 HE22 GLN 111 -12.293 -2.625 3.709 787 H GLN 112 HN GLN 112 -12.431 -0.062 -1.217 788 HA GLN 112 HA GLN 112 -14.289 -1.497 -2.997 789 HB2 GLN 112 HB2 GLN 112 -11.394 -0.728 -3.449 790 HB3 GLN 112 HB1 GLN 112 -12.465 -1.470 -4.631 791 HG2 GLN 112 HG2 GLN 112 -13.815 0.484 -4.746 792 HG3 GLN 112 HG1 GLN 112 -12.973 1.214 -3.380 793 HE21 GLN 112 HE21 GLN 112 -12.388 3.023 -4.520 794 HE22 GLN 112 HE22 GLN 112 -11.191 2.998 -5.770 795 HA PRO 113 HA PRO 113 -12.181 -4.854 -0.746 796 HB2 PRO 113 HB2 PRO 113 -14.509 -6.247 -0.218 797 HB3 PRO 113 HB1 PRO 113 -13.788 -5.033 0.840 798 HG2 PRO 113 HG2 PRO 113 -16.254 -4.876 -0.601 799 HG3 PRO 113 HG1 PRO 113 -15.523 -3.647 0.443 800 HD2 PRO 113 HD2 PRO 113 -15.510 -3.869 -2.504 801 HD3 PRO 113 HD1 PRO 113 -15.297 -2.436 -1.477 802 H SER 114 HN SER 114 -11.537 -6.807 -1.428 803 HA SER 114 HA SER 114 -13.091 -8.216 -3.465 804 HB2 SER 114 HB2 SER 114 -10.836 -8.915 -4.462 805 HB3 SER 114 HB1 SER 114 -11.347 -7.257 -4.768 806 HG SER 114 HG SER 114 -9.986 -6.611 -3.028 807 H GLN 115 HN GLN 115 -13.200 -10.411 -3.148 808 HA GLN 115 HA GLN 115 -12.559 -11.215 -0.453 809 HB2 GLN 115 HB2 GLN 115 -13.907 -12.776 -2.665 810 HB3 GLN 115 HB1 GLN 115 -13.854 -13.226 -0.966 811 HG2 GLN 115 HG2 GLN 115 -15.243 -10.834 -2.154 812 HG3 GLN 115 HG1 GLN 115 -16.001 -12.284 -1.495 813 HE21 GLN 115 HE21 GLN 115 -14.377 -9.307 -0.750 814 HE22 GLN 115 HE22 GLN 115 -14.727 -9.297 0.940 815 H ALA 116 HN ALA 116 -11.459 -13.178 0.087 816 HA ALA 116 HA ALA 116 -9.489 -14.038 -1.924 817 HB1 ALA 116 HB1 ALA 116 -8.419 -12.496 -0.347 818 HB2 ALA 116 HB2 ALA 116 -7.778 -14.132 -0.186 819 HB3 ALA 116 HB3 ALA 116 -8.932 -13.517 0.998 820 H THR 117 HN THR 117 -9.599 -16.119 -2.289 821 HA THR 117 HA THR 117 -9.885 -18.352 -2.055 822 HB THR 117 HB THR 117 -9.640 -17.903 0.923 823 HG1 THR 117 HG1 THR 117 -7.783 -17.790 -1.152 824 HG21 THR 117 HG21 THR 117 -10.413 -20.141 0.287 825 HG22 THR 117 HG22 THR 117 -8.773 -20.197 0.929 826 HG23 THR 117 HG23 THR 117 -9.040 -20.307 -0.810 827 HA PRO 118 HA PRO 118 -14.381 -17.983 -1.150 828 HB2 PRO 118 HB2 PRO 118 -15.109 -19.479 -3.308 829 HB3 PRO 118 HB1 PRO 118 -14.848 -17.733 -3.389 830 HG2 PRO 118 HG2 PRO 118 -13.010 -19.964 -4.166 831 HG3 PRO 118 HG1 PRO 118 -13.334 -18.437 -5.006 832 HD2 PRO 118 HD2 PRO 118 -11.126 -18.822 -3.496 833 HD3 PRO 118 HD1 PRO 118 -11.917 -17.238 -3.637 834 HA PRO 119 HA PRO 119 -14.309 -21.968 0.817 835 HB2 PRO 119 HB2 PRO 119 -17.124 -21.624 1.439 836 HB3 PRO 119 HB1 PRO 119 -15.734 -21.551 2.524 837 HG2 PRO 119 HG2 PRO 119 -17.240 -19.377 1.878 838 HG3 PRO 119 HG1 PRO 119 -15.524 -19.281 2.312 839 HD2 PRO 119 HD2 PRO 119 -16.804 -19.221 -0.394 840 HD3 PRO 119 HD1 PRO 119 -15.446 -18.261 0.233 841 HA PRO 120 HA PRO 120 -15.977 -24.985 -1.967 842 HB2 PRO 120 HB2 PRO 120 -17.083 -26.758 -0.104 843 HB3 PRO 120 HB1 PRO 120 -15.430 -26.794 -0.720 844 HG2 PRO 120 HG2 PRO 120 -16.483 -25.678 1.831 845 HG3 PRO 120 HG1 PRO 120 -14.930 -26.471 1.501 846 HD2 PRO 120 HD2 PRO 120 -15.120 -23.807 1.811 847 HD3 PRO 120 HD1 PRO 120 -13.978 -24.533 0.659 848 H GLU 121 HN GLU 121 -18.130 -24.387 0.818 849 HA GLU 121 HA GLU 121 -20.505 -24.700 -0.766 850 HB2 GLU 121 HB2 GLU 121 -20.046 -23.661 2.034 851 HB3 GLU 121 HB1 GLU 121 -21.638 -23.803 1.301 852 HG2 GLU 121 HG2 GLU 121 -19.721 -26.081 1.749 853 HG3 GLU 121 HG1 GLU 121 -21.100 -25.688 2.775 854 H ILE 122 HN ILE 122 -20.129 -23.244 -2.441 855 HA ILE 122 HA ILE 122 -19.518 -20.509 -2.098 856 HB ILE 122 HB ILE 122 -20.852 -21.869 -4.444 857 HG12 ILE 122 HG12 ILE 122 -17.930 -21.251 -3.948 858 HG13 ILE 122 HG11 ILE 122 -18.662 -22.849 -3.829 859 HG21 ILE 122 HG21 ILE 122 -21.139 -19.448 -4.494 860 HG22 ILE 122 HG22 ILE 122 -20.020 -19.971 -5.753 861 HG23 ILE 122 HG23 ILE 122 -19.403 -19.230 -4.277 862 HD11 ILE 122 HD11 ILE 122 -18.512 -21.176 -6.325 863 HD12 ILE 122 HD12 ILE 122 -19.195 -22.797 -6.197 864 HD13 ILE 122 HD13 ILE 122 -17.470 -22.543 -5.934 865 HA PRO 123 HA PRO 123 -23.604 -19.092 -0.857 866 HB2 PRO 123 HB2 PRO 123 -22.360 -16.441 -1.150 867 HB3 PRO 123 HB1 PRO 123 -23.076 -17.192 0.280 868 HG2 PRO 123 HG2 PRO 123 -20.423 -16.832 0.048 869 HG3 PRO 123 HG1 PRO 123 -21.113 -18.238 0.880 870 HD2 PRO 123 HD2 PRO 123 -19.975 -18.041 -1.886 871 HD3 PRO 123 HD1 PRO 123 -19.774 -19.325 -0.673 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 -2.007 12.728 -6.039 2 H2 ALA 1 HT2 ALA 1 -2.173 12.604 -7.718 3 H3 ALA 1 HT3 ALA 1 -0.828 11.924 -6.949 4 HA ALA 1 HA ALA 1 -2.400 10.206 -7.554 5 HB1 ALA 1 HB1 ALA 1 -1.041 10.048 -5.450 6 HB2 ALA 1 HB2 ALA 1 -2.522 9.092 -5.466 7 HB3 ALA 1 HB3 ALA 1 -2.461 10.614 -4.565 8 HA PRO 2 HA PRO 2 -6.640 11.416 -7.532 9 HB2 PRO 2 HB2 PRO 2 -7.203 8.642 -8.171 10 HB3 PRO 2 HB1 PRO 2 -7.403 10.075 -9.163 11 HG2 PRO 2 HG2 PRO 2 -5.512 8.265 -9.729 12 HG3 PRO 2 HG1 PRO 2 -5.211 10.002 -9.942 13 HD2 PRO 2 HD2 PRO 2 -4.456 8.253 -7.620 14 HD3 PRO 2 HD1 PRO 2 -3.436 9.379 -8.544 15 H THR 3 HN THR 3 -5.426 8.718 -5.709 16 HA THR 3 HA THR 3 -7.783 8.851 -3.983 17 HB THR 3 HB THR 3 -7.794 6.403 -3.779 18 HG1 THR 3 HG1 THR 3 -6.360 5.926 -6.074 19 HG21 THR 3 HG21 THR 3 -8.071 7.454 -6.604 20 HG22 THR 3 HG22 THR 3 -9.318 7.445 -5.352 21 HG23 THR 3 HG23 THR 3 -8.735 5.920 -6.023 22 H LEU 4 HN LEU 4 -7.394 7.841 -1.811 23 HA LEU 4 HA LEU 4 -5.132 9.101 -0.729 24 HB2 LEU 4 HB2 LEU 4 -7.082 8.795 0.622 25 HB3 LEU 4 HB1 LEU 4 -6.962 7.052 0.498 26 HG LEU 4 HG LEU 4 -4.743 7.254 1.722 27 HD11 LEU 4 HD11 LEU 4 -5.825 10.033 2.165 28 HD12 LEU 4 HD12 LEU 4 -4.344 9.610 1.287 29 HD13 LEU 4 HD13 LEU 4 -4.460 9.328 3.034 30 HD21 LEU 4 HD21 LEU 4 -5.791 7.471 3.915 31 HD22 LEU 4 HD22 LEU 4 -6.765 6.474 2.833 32 HD23 LEU 4 HD23 LEU 4 -7.237 8.142 3.162 33 H GLN 5 HN GLN 5 -5.666 5.706 -1.546 34 HA GLN 5 HA GLN 5 -3.292 4.803 -0.311 35 HB2 GLN 5 HB2 GLN 5 -5.211 3.341 -0.950 36 HB3 GLN 5 HB1 GLN 5 -4.690 3.492 -2.627 37 HG2 GLN 5 HG2 GLN 5 -2.381 2.804 -1.313 38 HG3 GLN 5 HG1 GLN 5 -3.612 1.858 -0.482 39 HE21 GLN 5 HE21 GLN 5 -1.384 1.198 -2.352 40 HE22 GLN 5 HE22 GLN 5 -2.118 0.253 -3.595 41 H GLU 6 HN GLU 6 -3.931 6.137 -3.526 42 HA GLU 6 HA GLU 6 -1.325 5.397 -4.472 43 HB2 GLU 6 HB2 GLU 6 -3.243 5.936 -6.021 44 HB3 GLU 6 HB1 GLU 6 -2.980 7.621 -5.623 45 HG2 GLU 6 HG2 GLU 6 -0.706 7.480 -6.409 46 HG3 GLU 6 HG1 GLU 6 -0.974 5.806 -6.816 47 H ALA 7 HN ALA 7 -2.647 7.967 -2.592 48 HA ALA 7 HA ALA 7 -0.397 9.715 -2.775 49 HB1 ALA 7 HB1 ALA 7 -1.293 10.733 -0.726 50 HB2 ALA 7 HB2 ALA 7 -2.432 9.392 -0.551 51 HB3 ALA 7 HB3 ALA 7 -2.560 10.488 -1.932 52 H LEU 8 HN LEU 8 -1.199 6.837 -1.025 53 HA LEU 8 HA LEU 8 1.070 6.817 0.678 54 HB2 LEU 8 HB2 LEU 8 -0.670 4.625 -0.341 55 HB3 LEU 8 HB1 LEU 8 0.637 4.367 0.788 56 HG LEU 8 HG LEU 8 -1.960 5.761 1.215 57 HD11 LEU 8 HD11 LEU 8 -0.442 3.695 2.791 58 HD12 LEU 8 HD12 LEU 8 -1.694 3.330 1.600 59 HD13 LEU 8 HD13 LEU 8 -2.102 4.230 3.060 60 HD21 LEU 8 HD21 LEU 8 -1.053 6.416 3.440 61 HD22 LEU 8 HD22 LEU 8 -0.393 7.324 2.077 62 HD23 LEU 8 HD23 LEU 8 0.554 6.037 2.826 63 H ASP 9 HN ASP 9 0.277 5.154 -2.347 64 HA ASP 9 HA ASP 9 2.720 3.946 -2.888 65 HB2 ASP 9 HB2 ASP 9 0.678 5.125 -4.804 66 HB3 ASP 9 HB1 ASP 9 2.014 4.095 -5.304 67 H ARG 10 HN ARG 10 1.795 7.229 -2.977 68 HA ARG 10 HA ARG 10 3.945 8.154 -4.676 69 HB2 ARG 10 HB2 ARG 10 1.486 9.070 -4.227 70 HB3 ARG 10 HB1 ARG 10 2.302 9.957 -2.959 71 HG2 ARG 10 HG2 ARG 10 3.154 11.405 -4.381 72 HG3 ARG 10 HG1 ARG 10 3.664 10.142 -5.509 73 HD2 ARG 10 HD2 ARG 10 1.277 9.929 -6.183 74 HD3 ARG 10 HD1 ARG 10 0.939 11.349 -5.204 75 HE ARG 10 HE ARG 10 2.765 12.391 -6.743 76 HH11 ARG 10 HH11 ARG 10 0.323 10.060 -7.703 77 HH12 ARG 10 HH12 ARG 10 0.173 10.689 -9.313 78 HH21 ARG 10 HH21 ARG 10 2.592 13.199 -8.875 79 HH22 ARG 10 HH22 ARG 10 1.476 12.450 -9.983 80 H LYS 11 HN LYS 11 3.118 8.026 -1.259 81 HA LYS 11 HA LYS 11 5.420 9.325 -0.247 82 HB2 LYS 11 HB2 LYS 11 3.388 8.860 1.083 83 HB3 LYS 11 HB1 LYS 11 3.764 7.154 0.999 84 HG2 LYS 11 HG2 LYS 11 4.413 8.310 3.119 85 HG3 LYS 11 HG1 LYS 11 5.684 7.391 2.321 86 HD2 LYS 11 HD2 LYS 11 6.541 9.498 3.077 87 HD3 LYS 11 HD1 LYS 11 6.532 9.451 1.320 88 HE2 LYS 11 HE2 LYS 11 4.477 10.735 1.282 89 HE3 LYS 11 HE1 LYS 11 4.450 10.750 3.036 90 HZ1 LYS 11 HZ1 LYS 11 6.554 11.982 1.350 91 HZ2 LYS 11 HZ2 LYS 11 6.495 12.016 3.043 92 HZ3 LYS 11 HZ3 LYS 11 5.308 12.824 2.137 93 H CYS 12 HN CYS 12 4.500 6.033 -0.930 94 HA CYS 12 HA CYS 12 6.815 4.638 -0.383 95 HB2 CYS 12 HB2 CYS 12 4.676 4.221 -2.457 96 HB3 CYS 12 HB1 CYS 12 5.920 3.033 -2.113 97 HG CYS 12 HG CYS 12 3.080 3.129 -0.789 98 H ALA 13 HN ALA 13 6.006 6.581 -3.170 99 HA ALA 13 HA ALA 13 8.180 5.674 -4.792 100 HB1 ALA 13 HB1 ALA 13 6.319 6.568 -5.921 101 HB2 ALA 13 HB2 ALA 13 7.606 7.760 -6.116 102 HB3 ALA 13 HB3 ALA 13 6.314 8.034 -4.940 103 H GLN 14 HN GLN 14 7.683 8.144 -2.403 104 HA GLN 14 HA GLN 14 9.998 9.695 -3.000 105 HB2 GLN 14 HB2 GLN 14 8.181 9.546 -0.623 106 HB3 GLN 14 HB1 GLN 14 9.529 10.679 -0.734 107 HG2 GLN 14 HG2 GLN 14 8.548 11.565 -2.815 108 HG3 GLN 14 HG1 GLN 14 7.160 10.515 -2.574 109 HE21 GLN 14 HE21 GLN 14 8.796 13.382 -1.555 110 HE22 GLN 14 HE22 GLN 14 7.559 13.976 -0.495 111 H PHE 15 HN PHE 15 9.362 6.905 -1.094 112 HA PHE 15 HA PHE 15 12.007 6.983 0.147 113 HB2 PHE 15 HB2 PHE 15 9.767 4.978 0.479 114 HB3 PHE 15 HB1 PHE 15 11.275 4.980 1.378 115 HD1 PHE 15 HD2 PHE 15 11.735 7.481 2.377 116 HD2 PHE 15 HD1 PHE 15 7.956 5.672 1.695 117 HE1 PHE 15 HE2 PHE 15 10.748 8.920 4.090 118 HE2 PHE 15 HE1 PHE 15 6.948 7.119 3.407 119 HZ PHE 15 HZ PHE 15 8.254 8.694 4.582 120 H GLY 16 HN GLY 16 10.021 4.651 -1.670 121 HA2 GLY 16 HA2 GLY 16 11.932 2.704 -2.118 122 HA3 GLY 16 HA1 GLY 16 10.561 3.023 -3.160 123 H LYS 17 HN LYS 17 10.956 5.223 -4.445 124 HA LYS 17 HA LYS 17 13.018 4.431 -6.241 125 HB2 LYS 17 HB2 LYS 17 11.482 6.995 -6.381 126 HB3 LYS 17 HB1 LYS 17 12.161 6.044 -7.699 127 HG2 LYS 17 HG2 LYS 17 9.847 5.233 -5.960 128 HG3 LYS 17 HG1 LYS 17 9.737 5.878 -7.590 129 HD2 LYS 17 HD2 LYS 17 11.183 3.905 -8.304 130 HD3 LYS 17 HD1 LYS 17 10.854 3.223 -6.703 131 HE2 LYS 17 HE2 LYS 17 9.293 2.385 -8.387 132 HE3 LYS 17 HE1 LYS 17 8.470 3.316 -7.135 133 HZ1 LYS 17 HZ1 LYS 17 9.261 4.414 -9.780 134 HZ2 LYS 17 HZ2 LYS 17 8.300 5.178 -8.608 135 HZ3 LYS 17 HZ3 LYS 17 7.718 3.815 -9.426 136 H GLU 18 HN GLU 18 12.804 6.611 -3.608 137 HA GLU 18 HA GLU 18 15.029 8.244 -4.206 138 HB2 GLU 18 HB2 GLU 18 13.514 8.775 -2.399 139 HB3 GLU 18 HB1 GLU 18 13.929 7.296 -1.549 140 HG2 GLU 18 HG2 GLU 18 16.083 9.265 -2.163 141 HG3 GLU 18 HG1 GLU 18 14.941 9.636 -0.877 142 H SER 19 HN SER 19 14.727 5.112 -2.559 143 HA SER 19 HA SER 19 17.448 4.534 -2.275 144 HB2 SER 19 HB2 SER 19 15.232 2.596 -2.930 145 HB3 SER 19 HB1 SER 19 16.784 2.206 -2.181 146 HG SER 19 HG SER 19 15.956 3.939 -0.569 147 H CYS 20 HN CYS 20 15.238 4.003 -4.963 148 HA CYS 20 HA CYS 20 17.020 2.797 -6.739 149 HB2 CYS 20 HB2 CYS 20 14.971 2.656 -7.658 150 HB3 CYS 20 HB1 CYS 20 14.413 4.132 -6.885 151 HG CYS 20 HG CYS 20 16.561 4.490 -9.471 152 H ASN 21 HN ASN 21 16.403 6.205 -6.062 153 HA ASN 21 HA ASN 21 18.009 7.260 -8.128 154 HB2 ASN 21 HB2 ASN 21 16.728 8.322 -5.681 155 HB3 ASN 21 HB1 ASN 21 18.084 9.240 -6.329 156 HD21 ASN 21 HD21 ASN 21 14.842 8.104 -6.940 157 HD22 ASN 21 HD22 ASN 21 14.522 9.157 -8.279 158 H SER 22 HN SER 22 18.734 6.294 -4.817 159 HA SER 22 HA SER 22 21.382 7.384 -4.925 160 HB2 SER 22 HB2 SER 22 21.625 5.960 -2.769 161 HB3 SER 22 HB1 SER 22 20.536 7.345 -2.757 162 HG SER 22 HG SER 22 18.853 6.052 -2.631 163 H GLY 23 HN GLY 23 19.947 4.235 -5.597 164 HA2 GLY 23 HA2 GLY 23 21.763 3.399 -7.400 165 HA3 GLY 23 HA1 GLY 23 22.575 3.026 -5.895 166 H LEU 24 HN LEU 24 19.365 2.627 -5.246 167 HA LEU 24 HA LEU 24 19.592 -0.216 -5.306 168 HB2 LEU 24 HB2 LEU 24 17.709 1.751 -4.271 169 HB3 LEU 24 HB1 LEU 24 16.922 0.315 -4.897 170 HG LEU 24 HG LEU 24 17.570 0.391 -2.401 171 HD11 LEU 24 HD11 LEU 24 18.361 -1.945 -4.125 172 HD12 LEU 24 HD12 LEU 24 16.741 -1.599 -3.516 173 HD13 LEU 24 HD13 LEU 24 18.038 -2.001 -2.393 174 HD21 LEU 24 HD21 LEU 24 19.854 1.155 -2.694 175 HD22 LEU 24 HD22 LEU 24 20.222 -0.275 -3.666 176 HD23 LEU 24 HD23 LEU 24 19.837 -0.443 -1.948 177 H ALA 25 HN ALA 25 19.415 -1.385 -6.998 178 HA ALA 25 HA ALA 25 18.366 -0.379 -9.461 179 HB1 ALA 25 HB1 ALA 25 20.294 -1.875 -9.354 180 HB2 ALA 25 HB2 ALA 25 19.021 -2.501 -10.401 181 HB3 ALA 25 HB3 ALA 25 19.247 -3.175 -8.787 182 H SER 26 HN SER 26 16.989 -2.111 -6.851 183 HA SER 26 HA SER 26 15.019 -3.569 -8.238 184 HB2 SER 26 HB2 SER 26 13.899 -3.651 -6.009 185 HB3 SER 26 HB1 SER 26 15.568 -4.210 -6.027 186 HG SER 26 HG SER 26 15.645 -2.871 -4.378 187 H TYR 27 HN TYR 27 14.751 -0.466 -6.471 188 HA TYR 27 HA TYR 27 12.070 -0.026 -7.368 189 HB2 TYR 27 HB2 TYR 27 13.891 2.143 -6.307 190 HB3 TYR 27 HB1 TYR 27 12.139 2.001 -6.174 191 HD1 TYR 27 HD2 TYR 27 11.186 0.139 -4.743 192 HD2 TYR 27 HD1 TYR 27 15.283 1.332 -4.592 193 HE1 TYR 27 HE2 TYR 27 11.417 -0.964 -2.565 194 HE2 TYR 27 HE1 TYR 27 15.519 0.199 -2.422 195 HH TYR 27 HH TYR 27 14.124 -0.473 -0.546 196 H CYS 28 HN CYS 28 15.017 0.223 -8.890 197 HA CYS 28 HA CYS 28 14.605 2.594 -10.413 198 HB2 CYS 28 HB2 CYS 28 16.839 1.549 -9.908 199 HB3 CYS 28 HB1 CYS 28 16.433 0.277 -11.051 200 HG CYS 28 HG CYS 28 18.015 2.957 -11.686 201 H GLY 29 HN GLY 29 13.087 2.788 -11.935 202 HA2 GLY 29 HA2 GLY 29 11.701 2.279 -13.705 203 HA3 GLY 29 HA1 GLY 29 12.711 0.871 -14.007 204 H ALA 30 HN ALA 30 11.277 1.378 -10.904 205 HA ALA 30 HA ALA 30 9.555 -0.954 -11.371 206 HB1 ALA 30 HB1 ALA 30 11.256 -1.407 -9.748 207 HB2 ALA 30 HB2 ALA 30 9.697 -1.300 -8.925 208 HB3 ALA 30 HB3 ALA 30 10.836 0.046 -8.843 209 H ALA 31 HN ALA 31 7.612 -1.047 -10.053 210 HA ALA 31 HA ALA 31 6.334 1.568 -9.674 211 HB1 ALA 31 HB1 ALA 31 4.232 0.301 -9.814 212 HB2 ALA 31 HB2 ALA 31 5.163 -1.178 -10.088 213 HB3 ALA 31 HB3 ALA 31 5.213 0.139 -11.270 214 H ILE 32 HN ILE 32 6.453 2.159 -7.487 215 HA ILE 32 HA ILE 32 6.458 -0.096 -5.610 216 HB ILE 32 HB ILE 32 8.391 1.469 -5.412 217 HG12 ILE 32 HG12 ILE 32 6.806 1.788 -2.906 218 HG13 ILE 32 HG11 ILE 32 7.110 0.157 -3.480 219 HG21 ILE 32 HG21 ILE 32 7.292 3.528 -5.999 220 HG22 ILE 32 HG22 ILE 32 8.004 3.663 -4.387 221 HG23 ILE 32 HG23 ILE 32 6.267 3.419 -4.566 222 HD11 ILE 32 HD11 ILE 32 9.490 0.529 -3.391 223 HD12 ILE 32 HD12 ILE 32 8.743 0.895 -1.828 224 HD13 ILE 32 HD13 ILE 32 9.225 2.208 -2.902 225 H TYR 33 HN TYR 33 5.006 -0.292 -4.007 226 HA TYR 33 HA TYR 33 2.701 1.536 -4.085 227 HB2 TYR 33 HB2 TYR 33 2.595 -1.479 -3.955 228 HB3 TYR 33 HB1 TYR 33 1.219 -0.387 -3.979 229 HD1 TYR 33 HD1 TYR 33 0.764 0.954 -6.051 230 HD2 TYR 33 HD2 TYR 33 3.617 -2.197 -5.948 231 HE1 TYR 33 HE1 TYR 33 0.709 0.839 -8.495 232 HE2 TYR 33 HE2 TYR 33 3.580 -2.314 -8.404 233 HH TYR 33 HH TYR 33 1.962 0.092 -10.333 234 H ALA 34 HN ALA 34 1.427 1.594 -2.204 235 HA ALA 34 HA ALA 34 2.837 0.918 0.258 236 HB1 ALA 34 HB1 ALA 34 0.088 2.076 0.165 237 HB2 ALA 34 HB2 ALA 34 1.483 3.081 -0.259 238 HB3 ALA 34 HB3 ALA 34 1.382 2.339 1.343 239 H ARG 35 HN ARG 35 2.543 -1.019 1.148 240 HA ARG 35 HA ARG 35 -0.191 -2.033 1.152 241 HB2 ARG 35 HB2 ARG 35 1.545 -3.162 -0.552 242 HB3 ARG 35 HB1 ARG 35 1.939 -4.094 0.882 243 HG2 ARG 35 HG2 ARG 35 0.256 -5.245 -0.421 244 HG3 ARG 35 HG1 ARG 35 -0.429 -4.705 1.113 245 HD2 ARG 35 HD2 ARG 35 -1.945 -4.287 -0.787 246 HD3 ARG 35 HD1 ARG 35 -1.460 -2.794 0.019 247 HE ARG 35 HE ARG 35 0.310 -3.283 -2.099 248 HH11 ARG 35 HH11 ARG 35 -3.073 -2.526 -1.686 249 HH12 ARG 35 HH12 ARG 35 -3.184 -1.625 -3.162 250 HH21 ARG 35 HH21 ARG 35 0.169 -2.112 -4.054 251 HH22 ARG 35 HH22 ARG 35 -1.333 -1.382 -4.513 252 H TYR 36 HN TYR 36 -0.808 -2.151 3.138 253 HA TYR 36 HA TYR 36 0.965 -2.422 5.380 254 HB2 TYR 36 HB2 TYR 36 -1.350 -1.295 5.329 255 HB3 TYR 36 HB1 TYR 36 -2.022 -2.921 5.348 256 HD1 TYR 36 HD1 TYR 36 0.260 -0.674 7.279 257 HD2 TYR 36 HD2 TYR 36 -2.377 -4.002 7.331 258 HE1 TYR 36 HE1 TYR 36 0.406 -0.754 9.734 259 HE2 TYR 36 HE2 TYR 36 -2.264 -4.085 9.765 260 HH TYR 36 HH TYR 36 -0.855 -1.591 11.642 261 H ASP 37 HN ASP 37 2.091 -4.342 4.913 262 HA ASP 37 HA ASP 37 0.682 -6.828 5.339 263 HB2 ASP 37 HB2 ASP 37 0.995 -6.049 2.684 264 HB3 ASP 37 HB1 ASP 37 2.395 -7.081 2.978 265 H LYS 38 HN LYS 38 2.670 -8.577 4.602 266 HA LYS 38 HA LYS 38 4.564 -8.100 6.724 267 HB2 LYS 38 HB2 LYS 38 4.555 -10.290 4.628 268 HB3 LYS 38 HB1 LYS 38 5.425 -10.311 6.150 269 HG2 LYS 38 HG2 LYS 38 3.426 -10.542 7.395 270 HG3 LYS 38 HG1 LYS 38 2.423 -10.195 5.980 271 HD2 LYS 38 HD2 LYS 38 4.084 -12.637 6.560 272 HD3 LYS 38 HD1 LYS 38 2.335 -12.533 6.356 273 HE2 LYS 38 HE2 LYS 38 2.744 -11.791 4.011 274 HE3 LYS 38 HE1 LYS 38 4.448 -12.162 4.260 275 HZ1 LYS 38 HZ1 LYS 38 2.190 -14.082 4.436 276 HZ2 LYS 38 HZ2 LYS 38 3.806 -14.461 4.768 277 HZ3 LYS 38 HZ3 LYS 38 3.352 -14.008 3.201 278 H GLY 39 HN GLY 39 6.761 -7.815 6.535 279 HA2 GLY 39 HA2 GLY 39 7.706 -6.815 3.941 280 HA3 GLY 39 HA1 GLY 39 8.496 -6.564 5.497 281 H ASN 40 HN ASN 40 10.384 -7.595 5.572 282 HA ASN 40 HA ASN 40 10.983 -9.955 4.094 283 HB2 ASN 40 HB2 ASN 40 12.768 -8.453 4.839 284 HB3 ASN 40 HB1 ASN 40 12.332 -8.729 6.529 285 HD21 ASN 40 HD21 ASN 40 14.259 -9.546 7.168 286 HD22 ASN 40 HD22 ASN 40 14.896 -11.057 6.615 287 H SER 41 HN SER 41 11.728 -12.003 5.450 288 HA SER 41 HA SER 41 9.405 -13.276 6.176 289 HB2 SER 41 HB2 SER 41 11.070 -14.922 7.332 290 HB3 SER 41 HB1 SER 41 11.143 -14.681 5.585 291 HG SER 41 HG SER 41 13.151 -14.195 5.954 292 H SER 42 HN SER 42 11.740 -11.749 8.387 293 HA SER 42 HA SER 42 10.404 -12.661 10.743 294 HB2 SER 42 HB2 SER 42 11.908 -10.872 11.818 295 HB3 SER 42 HB1 SER 42 12.708 -12.203 10.981 296 HG SER 42 HG SER 42 13.527 -10.077 10.461 297 H GLN 43 HN GLN 43 9.902 -10.113 8.555 298 HA GLN 43 HA GLN 43 8.531 -8.392 10.468 299 HB2 GLN 43 HB2 GLN 43 9.213 -7.990 7.555 300 HB3 GLN 43 HB1 GLN 43 8.408 -6.800 8.570 301 HG2 GLN 43 HG2 GLN 43 10.379 -6.737 10.030 302 HG3 GLN 43 HG1 GLN 43 11.182 -7.894 8.970 303 HE21 GLN 43 HE21 GLN 43 11.927 -5.165 9.695 304 HE22 GLN 43 HE22 GLN 43 12.058 -4.291 8.204 305 H GLN 44 HN GLN 44 7.432 -10.984 9.647 306 HA GLN 44 HA GLN 44 5.378 -10.711 7.756 307 HB2 GLN 44 HB2 GLN 44 4.356 -12.649 9.065 308 HB3 GLN 44 HB1 GLN 44 5.883 -12.902 8.219 309 HG2 GLN 44 HG2 GLN 44 6.999 -12.406 10.434 310 HG3 GLN 44 HG1 GLN 44 5.386 -12.517 11.141 311 HE21 GLN 44 HE21 GLN 44 7.893 -14.243 9.461 312 HE22 GLN 44 HE22 GLN 44 7.340 -15.827 9.876 313 H THR 45 HN THR 45 5.537 -9.249 10.789 314 HA THR 45 HA THR 45 2.654 -9.222 11.123 315 HB THR 45 HB THR 45 3.164 -7.682 13.046 316 HG1 THR 45 HG1 THR 45 5.113 -6.867 13.117 317 HG21 THR 45 HG21 THR 45 4.401 -10.422 12.870 318 HG22 THR 45 HG22 THR 45 2.821 -9.974 13.521 319 HG23 THR 45 HG23 THR 45 4.289 -9.518 14.385 320 H LYS 46 HN LYS 46 1.369 -7.764 10.192 321 HA LYS 46 HA LYS 46 2.474 -6.275 8.088 322 HB2 LYS 46 HB2 LYS 46 -0.293 -6.001 9.219 323 HB3 LYS 46 HB1 LYS 46 0.247 -5.407 7.667 324 HG2 LYS 46 HG2 LYS 46 0.875 -7.926 7.287 325 HG3 LYS 46 HG1 LYS 46 -0.358 -8.176 8.524 326 HD2 LYS 46 HD2 LYS 46 -1.933 -6.821 7.164 327 HD3 LYS 46 HD1 LYS 46 -0.696 -6.675 5.933 328 HE2 LYS 46 HE2 LYS 46 -0.645 -9.176 5.801 329 HE3 LYS 46 HE1 LYS 46 -2.054 -9.182 6.855 330 HZ1 LYS 46 HZ1 LYS 46 -1.858 -8.025 4.129 331 HZ2 LYS 46 HZ2 LYS 46 -3.180 -7.780 5.163 332 HZ3 LYS 46 HZ3 LYS 46 -2.809 -9.339 4.626 333 H GLU 47 HN GLU 47 3.207 -4.386 7.913 334 HA GLU 47 HA GLU 47 2.055 -2.168 9.426 335 HB2 GLU 47 HB2 GLU 47 4.989 -2.836 9.358 336 HB3 GLU 47 HB1 GLU 47 4.459 -1.162 9.433 337 HG2 GLU 47 HG2 GLU 47 3.546 -1.416 11.520 338 HG3 GLU 47 HG1 GLU 47 3.444 -3.161 11.384 339 H TRP 48 HN TRP 48 2.217 -0.200 8.287 340 HA TRP 48 HA TRP 48 2.077 -0.409 5.512 341 HB2 TRP 48 HB2 TRP 48 2.470 1.915 7.360 342 HB3 TRP 48 HB1 TRP 48 2.569 2.126 5.617 343 HD1 TRP 48 HD1 TRP 48 0.148 2.350 8.299 344 HE1 TRP 48 HE1 TRP 48 -2.264 2.298 7.348 345 HE3 TRP 48 HE3 TRP 48 1.159 0.631 3.609 346 HZ2 TRP 48 HZ2 TRP 48 -3.550 1.583 4.930 347 HZ3 TRP 48 HZ3 TRP 48 -0.698 0.281 2.039 348 HH2 TRP 48 HH2 TRP 48 -3.009 0.742 2.693 349 H ARG 49 HN ARG 49 3.650 -1.003 4.242 350 HA ARG 49 HA ARG 49 6.274 0.231 4.639 351 HB2 ARG 49 HB2 ARG 49 5.656 -2.668 4.033 352 HB3 ARG 49 HB1 ARG 49 7.249 -1.959 3.814 353 HG2 ARG 49 HG2 ARG 49 7.604 -1.716 6.081 354 HG3 ARG 49 HG1 ARG 49 5.885 -1.757 6.465 355 HD2 ARG 49 HD2 ARG 49 5.813 -4.130 5.906 356 HD3 ARG 49 HD1 ARG 49 7.524 -4.094 5.487 357 HE ARG 49 HE ARG 49 7.850 -3.436 7.896 358 HH11 ARG 49 HH11 ARG 49 5.161 -5.405 6.870 359 HH12 ARG 49 HH12 ARG 49 5.008 -6.202 8.409 360 HH21 ARG 49 HH21 ARG 49 7.650 -4.489 9.912 361 HH22 ARG 49 HH22 ARG 49 6.416 -5.687 10.124 362 H CYS 50 HN CYS 50 7.539 0.203 2.603 363 HA CYS 50 HA CYS 50 5.703 0.653 0.367 364 HB2 CYS 50 HB2 CYS 50 8.623 1.424 0.676 365 HB3 CYS 50 HB1 CYS 50 7.532 1.951 -0.608 366 HG CYS 50 HG CYS 50 5.832 3.282 1.318 367 H TYR 51 HN TYR 51 5.554 -0.854 -1.083 368 HA TYR 51 HA TYR 51 7.733 -2.822 -1.360 369 HB2 TYR 51 HB2 TYR 51 4.755 -3.267 -1.609 370 HB3 TYR 51 HB1 TYR 51 5.983 -4.492 -1.852 371 HD1 TYR 51 HD1 TYR 51 7.728 -4.159 0.451 372 HD2 TYR 51 HD2 TYR 51 3.508 -3.865 0.151 373 HE1 TYR 51 HE1 TYR 51 7.525 -4.811 2.813 374 HE2 TYR 51 HE2 TYR 51 3.286 -4.494 2.515 375 HH TYR 51 HH TYR 51 4.696 -5.823 4.178 376 H ILE 52 HN ILE 52 8.577 -2.713 -3.385 377 HA ILE 52 HA ILE 52 7.126 -1.429 -5.465 378 HB ILE 52 HB ILE 52 8.965 -2.666 -6.899 379 HG12 ILE 52 HG12 ILE 52 10.157 -2.548 -4.169 380 HG13 ILE 52 HG11 ILE 52 9.791 -4.026 -5.067 381 HG21 ILE 52 HG21 ILE 52 8.634 -0.216 -6.477 382 HG22 ILE 52 HG22 ILE 52 10.311 -0.720 -6.688 383 HG23 ILE 52 HG23 ILE 52 9.687 -0.401 -5.068 384 HD11 ILE 52 HD11 ILE 52 11.363 -3.460 -6.761 385 HD12 ILE 52 HD12 ILE 52 12.166 -3.322 -5.197 386 HD13 ILE 52 HD13 ILE 52 11.634 -1.862 -6.048 387 H GLU 53 HN GLU 53 6.392 -2.438 -7.428 388 HA GLU 53 HA GLU 53 4.593 -4.479 -7.020 389 HB2 GLU 53 HB2 GLU 53 4.442 -2.904 -8.864 390 HB3 GLU 53 HB1 GLU 53 5.866 -3.602 -9.622 391 HG2 GLU 53 HG2 GLU 53 4.711 -5.688 -9.957 392 HG3 GLU 53 HG1 GLU 53 3.304 -5.076 -9.074 393 H LYS 54 HN LYS 54 7.938 -4.634 -7.763 394 HA LYS 54 HA LYS 54 8.302 -7.213 -8.654 395 HB2 LYS 54 HB2 LYS 54 9.915 -5.332 -6.951 396 HB3 LYS 54 HB1 LYS 54 10.459 -6.987 -7.114 397 HG2 LYS 54 HG2 LYS 54 10.649 -6.738 -9.486 398 HG3 LYS 54 HG1 LYS 54 9.933 -5.124 -9.403 399 HD2 LYS 54 HD2 LYS 54 11.802 -4.331 -8.085 400 HD3 LYS 54 HD1 LYS 54 12.502 -5.953 -8.060 401 HE2 LYS 54 HE2 LYS 54 11.911 -4.464 -10.574 402 HE3 LYS 54 HE1 LYS 54 13.464 -4.331 -9.747 403 HZ1 LYS 54 HZ1 LYS 54 12.247 -6.808 -10.871 404 HZ2 LYS 54 HZ2 LYS 54 13.667 -6.772 -9.949 405 HZ3 LYS 54 HZ3 LYS 54 13.623 -5.997 -11.455 406 H GLU 55 HN GLU 55 7.599 -6.024 -5.442 407 HA GLU 55 HA GLU 55 8.238 -8.607 -4.257 408 HB2 GLU 55 HB2 GLU 55 7.715 -5.987 -2.896 409 HB3 GLU 55 HB1 GLU 55 8.453 -7.415 -2.198 410 HG2 GLU 55 HG2 GLU 55 9.625 -5.839 -4.469 411 HG3 GLU 55 HG1 GLU 55 10.078 -5.634 -2.777 412 H LEU 56 HN LEU 56 5.491 -6.636 -4.996 413 HA LEU 56 HA LEU 56 3.736 -7.870 -3.099 414 HB2 LEU 56 HB2 LEU 56 3.275 -6.177 -5.537 415 HB3 LEU 56 HB1 LEU 56 1.954 -6.925 -4.681 416 HG LEU 56 HG LEU 56 2.701 -5.649 -2.599 417 HD11 LEU 56 HD11 LEU 56 4.334 -4.210 -4.703 418 HD12 LEU 56 HD12 LEU 56 4.985 -5.207 -3.401 419 HD13 LEU 56 HD13 LEU 56 4.121 -3.717 -3.024 420 HD21 LEU 56 HD21 LEU 56 0.806 -4.933 -3.928 421 HD22 LEU 56 HD22 LEU 56 1.869 -4.136 -5.094 422 HD23 LEU 56 HD23 LEU 56 1.751 -3.525 -3.436 423 H ASP 57 HN ASP 57 1.753 -8.947 -3.924 424 HA ASP 57 HA ASP 57 2.179 -10.541 -6.353 425 HB2 ASP 57 HB2 ASP 57 2.590 -11.982 -4.377 426 HB3 ASP 57 HB1 ASP 57 0.996 -11.573 -3.759 427 H PHE 58 HN PHE 58 0.633 -10.050 -7.748 428 HA PHE 58 HA PHE 58 -1.840 -8.859 -6.810 429 HB2 PHE 58 HB2 PHE 58 -0.556 -9.197 -9.486 430 HB3 PHE 58 HB1 PHE 58 -2.274 -8.824 -9.380 431 HD1 PHE 58 HD1 PHE 58 1.100 -7.607 -8.439 432 HD2 PHE 58 HD2 PHE 58 -3.030 -6.681 -8.870 433 HE1 PHE 58 HE1 PHE 58 1.620 -5.222 -8.166 434 HE2 PHE 58 HE2 PHE 58 -2.517 -4.281 -8.611 435 HZ PHE 58 HZ PHE 58 -0.192 -3.553 -8.255 436 H SER 59 HN SER 59 -0.797 -11.929 -7.090 437 HA SER 59 HA SER 59 -3.394 -13.029 -7.812 438 HB2 SER 59 HB2 SER 59 -1.327 -14.219 -8.480 439 HB3 SER 59 HB1 SER 59 -0.951 -14.442 -6.777 440 HG SER 59 HG SER 59 -3.146 -15.457 -6.717 441 H LYS 60 HN LYS 60 -2.006 -11.497 -5.350 442 HA LYS 60 HA LYS 60 -3.521 -12.812 -3.232 443 HB2 LYS 60 HB2 LYS 60 -1.159 -10.986 -3.369 444 HB3 LYS 60 HB1 LYS 60 -2.209 -10.886 -1.978 445 HG2 LYS 60 HG2 LYS 60 -1.489 -13.609 -2.554 446 HG3 LYS 60 HG1 LYS 60 -0.072 -12.591 -2.318 447 HD2 LYS 60 HD2 LYS 60 -0.842 -13.586 -0.216 448 HD3 LYS 60 HD1 LYS 60 -0.970 -11.825 -0.188 449 HE2 LYS 60 HE2 LYS 60 -3.360 -12.048 -0.817 450 HE3 LYS 60 HE1 LYS 60 -3.196 -13.796 -0.674 451 HZ1 LYS 60 HZ1 LYS 60 -2.895 -11.796 1.498 452 HZ2 LYS 60 HZ2 LYS 60 -2.513 -13.436 1.669 453 HZ3 LYS 60 HZ3 LYS 60 -4.112 -12.966 1.345 454 H SER 61 HN SER 61 -5.490 -11.914 -2.786 455 HA SER 61 HA SER 61 -5.900 -9.116 -3.439 456 HB2 SER 61 HB2 SER 61 -8.140 -9.467 -2.337 457 HB3 SER 61 HB1 SER 61 -7.855 -10.425 -3.788 458 HG SER 61 HG SER 61 -7.003 -11.863 -1.730 459 H GLY 62 HN GLY 62 -5.353 -7.582 -2.093 460 HA2 GLY 62 HA2 GLY 62 -4.254 -8.489 0.466 461 HA3 GLY 62 HA1 GLY 62 -3.749 -7.056 -0.412 462 H ASP 63 HN ASP 63 -5.484 -8.235 2.128 463 HA ASP 63 HA ASP 63 -7.349 -6.039 2.396 464 HB2 ASP 63 HB2 ASP 63 -7.772 -7.075 4.634 465 HB3 ASP 63 HB1 ASP 63 -7.938 -8.228 3.312 466 H GLY 64 HN GLY 64 -4.616 -5.349 2.035 467 HA2 GLY 64 HA2 GLY 64 -3.970 -4.123 4.642 468 HA3 GLY 64 HA1 GLY 64 -2.718 -4.871 3.657 469 H CYS 65 HN CYS 65 -5.255 -3.285 2.028 470 HA CYS 65 HA CYS 65 -3.490 -1.006 1.369 471 HB2 CYS 65 HB2 CYS 65 -6.131 -1.527 0.039 472 HB3 CYS 65 HB1 CYS 65 -4.655 -0.851 -0.641 473 HG CYS 65 HG CYS 65 -5.398 -4.137 -0.102 474 H VAL 66 HN VAL 66 -4.808 1.089 1.142 475 HA VAL 66 HA VAL 66 -6.966 1.117 3.141 476 HB VAL 66 HB VAL 66 -5.320 2.407 4.186 477 HG11 VAL 66 HG11 VAL 66 -3.919 4.053 3.049 478 HG12 VAL 66 HG12 VAL 66 -4.720 3.673 1.521 479 HG13 VAL 66 HG13 VAL 66 -3.746 2.445 2.339 480 HG21 VAL 66 HG21 VAL 66 -6.475 4.712 2.712 481 HG22 VAL 66 HG22 VAL 66 -6.258 4.467 4.456 482 HG23 VAL 66 HG23 VAL 66 -7.574 3.648 3.599 483 H ASP 67 HN ASP 67 -8.677 2.481 2.702 484 HA ASP 67 HA ASP 67 -9.336 2.661 -0.106 485 HB2 ASP 67 HB2 ASP 67 -10.895 1.849 1.716 486 HB3 ASP 67 HB1 ASP 67 -10.930 3.496 2.330 487 H ASP 68 HN ASP 68 -10.936 5.101 0.059 488 HA ASP 68 HA ASP 68 -8.793 7.036 -0.057 489 HB2 ASP 68 HB2 ASP 68 -11.768 7.380 -0.384 490 HB3 ASP 68 HB1 ASP 68 -10.689 8.751 -0.277 491 H CYS 69 HN CYS 69 -11.239 6.049 2.203 492 HA CYS 69 HA CYS 69 -10.256 7.987 4.168 493 HB2 CYS 69 HB2 CYS 69 -12.649 7.556 4.221 494 HB3 CYS 69 HB1 CYS 69 -12.379 5.819 4.284 495 HG CYS 69 HG CYS 69 -12.554 5.676 6.817 496 H GLY 70 HN GLY 70 -9.122 7.249 6.085 497 HA2 GLY 70 HA2 GLY 70 -7.342 5.070 5.564 498 HA3 GLY 70 HA1 GLY 70 -7.428 6.012 7.052 499 H SER 71 HN SER 71 -9.276 3.638 5.253 500 HA SER 71 HA SER 71 -9.245 1.873 7.588 501 HB2 SER 71 HB2 SER 71 -11.572 2.306 5.689 502 HB3 SER 71 HB1 SER 71 -11.528 1.139 7.014 503 HG SER 71 HG SER 71 -10.932 3.365 8.156 504 H MET 72 HN MET 72 -8.776 -0.271 6.986 505 HA MET 72 HA MET 72 -7.318 -0.404 4.555 506 HB2 MET 72 HB2 MET 72 -8.023 -2.644 6.443 507 HB3 MET 72 HB1 MET 72 -6.848 -2.719 5.137 508 HG2 MET 72 HG2 MET 72 -5.496 -1.018 6.217 509 HG3 MET 72 HG1 MET 72 -6.676 -0.895 7.521 510 HE1 MET 72 HE1 MET 72 -7.091 -2.746 9.339 511 HE2 MET 72 HE2 MET 72 -6.354 -4.348 9.299 512 HE3 MET 72 HE3 MET 72 -7.513 -3.878 8.054 513 H THR 73 HN THR 73 -7.960 -0.804 2.633 514 HA THR 73 HA THR 73 -10.489 -2.203 2.194 515 HB THR 73 HB THR 73 -10.265 0.074 1.187 516 HG1 THR 73 HG1 THR 73 -11.156 -0.569 -0.769 517 HG21 THR 73 HG21 THR 73 -8.176 -1.258 -0.544 518 HG22 THR 73 HG22 THR 73 -7.868 -0.010 0.665 519 HG23 THR 73 HG23 THR 73 -8.827 0.366 -0.769 520 H SER 74 HN SER 74 -10.577 -3.864 0.577 521 HA SER 74 HA SER 74 -8.116 -5.390 0.494 522 HB2 SER 74 HB2 SER 74 -9.629 -7.220 -0.328 523 HB3 SER 74 HB1 SER 74 -10.090 -6.565 1.243 524 HG SER 74 HG SER 74 -11.207 -5.568 -1.153 525 H CYS 75 HN CYS 75 -6.812 -5.043 -1.171 526 HA CYS 75 HA CYS 75 -7.935 -5.005 -3.876 527 HB2 CYS 75 HB2 CYS 75 -7.645 -2.646 -3.206 528 HB3 CYS 75 HB1 CYS 75 -5.943 -2.962 -2.901 529 HG CYS 75 HG CYS 75 -7.370 -2.035 -5.680 530 H ARG 76 HN ARG 76 -6.330 -5.519 -5.539 531 HA ARG 76 HA ARG 76 -4.804 -7.713 -4.494 532 HB2 ARG 76 HB2 ARG 76 -5.580 -6.853 -7.234 533 HB3 ARG 76 HB1 ARG 76 -4.280 -8.006 -7.017 534 HG2 ARG 76 HG2 ARG 76 -6.227 -9.276 -7.301 535 HG3 ARG 76 HG1 ARG 76 -5.836 -9.338 -5.585 536 HD2 ARG 76 HD2 ARG 76 -8.030 -8.834 -5.435 537 HD3 ARG 76 HD1 ARG 76 -7.332 -7.225 -5.523 538 HE ARG 76 HE ARG 76 -8.297 -8.528 -7.972 539 HH11 ARG 76 HH11 ARG 76 -8.538 -5.929 -5.627 540 HH12 ARG 76 HH12 ARG 76 -9.515 -4.916 -6.646 541 HH21 ARG 76 HH21 ARG 76 -9.605 -7.220 -9.311 542 HH22 ARG 76 HH22 ARG 76 -10.113 -5.656 -8.754 543 H GLY 77 HN GLY 77 -2.807 -7.628 -3.914 544 HA2 GLY 77 HA2 GLY 77 -0.589 -7.073 -5.227 545 HA3 GLY 77 HA1 GLY 77 -1.094 -5.456 -4.793 546 H SER 78 HN SER 78 -0.341 -8.605 -3.410 547 HA SER 78 HA SER 78 0.520 -7.162 -1.016 548 HB2 SER 78 HB2 SER 78 -1.784 -8.922 -1.244 549 HB3 SER 78 HB1 SER 78 -0.690 -9.419 0.039 550 HG SER 78 HG SER 78 -1.200 -7.685 1.159 551 H VAL 79 HN VAL 79 1.946 -8.102 0.280 552 HA VAL 79 HA VAL 79 3.874 -9.630 -1.077 553 HB VAL 79 HB VAL 79 3.746 -8.763 1.792 554 HG11 VAL 79 HG11 VAL 79 5.337 -10.580 1.484 555 HG12 VAL 79 HG12 VAL 79 6.165 -9.058 1.820 556 HG13 VAL 79 HG13 VAL 79 6.106 -9.688 0.172 557 HG21 VAL 79 HG21 VAL 79 5.197 -6.921 1.061 558 HG22 VAL 79 HG22 VAL 79 3.625 -6.892 0.260 559 HG23 VAL 79 HG23 VAL 79 5.046 -7.482 -0.603 560 H SER 80 HN SER 80 3.313 -11.712 -1.488 561 HA SER 80 HA SER 80 2.009 -13.389 0.417 562 HB2 SER 80 HB2 SER 80 2.556 -15.183 -1.286 563 HB3 SER 80 HB1 SER 80 1.604 -13.825 -1.891 564 HG SER 80 HG SER 80 3.299 -14.311 -3.325 565 H GLY 81 HN GLY 81 5.212 -13.686 -1.119 566 HA2 GLY 81 HA2 GLY 81 6.219 -14.971 1.324 567 HA3 GLY 81 HA1 GLY 81 7.039 -14.956 -0.236 568 HA PRO 82 HA PRO 82 8.653 -11.787 3.068 569 HB2 PRO 82 HB2 PRO 82 11.224 -12.581 2.403 570 HB3 PRO 82 HB1 PRO 82 10.351 -12.992 3.871 571 HG2 PRO 82 HG2 PRO 82 10.632 -14.557 1.334 572 HG3 PRO 82 HG1 PRO 82 10.625 -15.130 3.016 573 HD2 PRO 82 HD2 PRO 82 8.486 -15.457 1.518 574 HD3 PRO 82 HD1 PRO 82 8.292 -14.877 3.192 575 H SER 83 HN SER 83 8.634 -9.830 2.238 576 HA SER 83 HA SER 83 9.587 -9.269 -0.438 577 HB2 SER 83 HB2 SER 83 7.591 -8.105 0.323 578 HB3 SER 83 HB1 SER 83 8.446 -7.497 1.741 579 HG SER 83 HG SER 83 9.190 -6.892 -0.930 580 H THR 84 HN THR 84 11.511 -8.377 -0.957 581 HA THR 84 HA THR 84 13.307 -7.759 1.294 582 HB THR 84 HB THR 84 14.308 -8.128 -1.496 583 HG1 THR 84 HG1 THR 84 12.832 -9.957 -0.421 584 HG21 THR 84 HG21 THR 84 16.236 -9.069 -0.203 585 HG22 THR 84 HG22 THR 84 15.362 -8.679 1.285 586 HG23 THR 84 HG23 THR 84 15.867 -7.389 0.189 587 H SER 85 HN SER 85 12.421 -6.697 -1.992 588 HA SER 85 HA SER 85 13.741 -4.172 -1.672 589 HB2 SER 85 HB2 SER 85 11.702 -5.016 -3.784 590 HB3 SER 85 HB1 SER 85 12.794 -3.626 -3.857 591 HG SER 85 HG SER 85 14.560 -5.151 -3.737 592 H HIS 86 HN HIS 86 12.804 -3.281 0.222 593 HA HIS 86 HA HIS 86 10.254 -2.017 -0.137 594 HB2 HIS 86 HB2 HIS 86 9.007 -3.122 1.537 595 HB3 HIS 86 HB1 HIS 86 9.690 -4.397 0.536 596 HD1 HIS 86 HD1 HIS 86 12.234 -5.173 1.674 597 HD2 HIS 86 HD2 HIS 86 9.197 -3.757 4.139 598 HE1 HIS 86 HE1 HIS 86 12.799 -5.993 3.982 599 HE2 HIS 86 HE2 HIS 86 10.964 -5.106 5.469 600 H LEU 87 HN LEU 87 9.652 -0.633 1.620 601 HA LEU 87 HA LEU 87 11.804 -0.049 3.545 602 HB2 LEU 87 HB2 LEU 87 10.184 1.929 1.939 603 HB3 LEU 87 HB1 LEU 87 11.212 2.384 3.284 604 HG LEU 87 HG LEU 87 12.995 1.031 1.755 605 HD11 LEU 87 HD11 LEU 87 11.401 0.563 -0.005 606 HD12 LEU 87 HD12 LEU 87 12.669 1.643 -0.583 607 HD13 LEU 87 HD13 LEU 87 11.074 2.287 -0.187 608 HD21 LEU 87 HD21 LEU 87 13.234 3.303 2.679 609 HD22 LEU 87 HD22 LEU 87 12.269 3.919 1.341 610 HD23 LEU 87 HD23 LEU 87 13.830 3.169 1.026 611 H THR 88 HN THR 88 11.027 -0.289 5.576 612 HA THR 88 HA THR 88 8.165 -0.282 6.024 613 HB THR 88 HB THR 88 10.300 -0.418 8.145 614 HG1 THR 88 HG1 THR 88 10.770 -2.336 7.361 615 HG21 THR 88 HG21 THR 88 7.463 -1.423 8.089 616 HG22 THR 88 HG22 THR 88 8.031 0.016 8.945 617 HG23 THR 88 HG23 THR 88 8.596 -1.588 9.430 618 H ARG 89 HN ARG 89 7.574 1.858 5.543 619 HA ARG 89 HA ARG 89 8.274 3.698 7.747 620 HB2 ARG 89 HB2 ARG 89 7.411 4.423 4.939 621 HB3 ARG 89 HB1 ARG 89 7.842 5.544 6.208 622 HG2 ARG 89 HG2 ARG 89 9.728 3.534 5.074 623 HG3 ARG 89 HG1 ARG 89 9.580 5.186 4.472 624 HD2 ARG 89 HD2 ARG 89 10.890 4.154 6.882 625 HD3 ARG 89 HD1 ARG 89 11.220 5.606 5.934 626 HE ARG 89 HE ARG 89 9.441 6.712 7.174 627 HH11 ARG 89 HH11 ARG 89 10.602 3.672 8.471 628 HH12 ARG 89 HH12 ARG 89 10.163 4.045 10.111 629 HH21 ARG 89 HH21 ARG 89 8.869 7.228 9.331 630 HH22 ARG 89 HH22 ARG 89 9.175 6.065 10.602 631 HA PRO 90 HA PRO 90 3.783 2.484 7.658 632 HB2 PRO 90 HB2 PRO 90 4.053 1.823 10.454 633 HB3 PRO 90 HB1 PRO 90 3.578 0.787 9.125 634 HG2 PRO 90 HG2 PRO 90 5.953 0.523 10.441 635 HG3 PRO 90 HG1 PRO 90 5.696 0.055 8.755 636 HD2 PRO 90 HD2 PRO 90 7.033 2.466 9.853 637 HD3 PRO 90 HD1 PRO 90 7.423 1.517 8.424 638 H SER 91 HN SER 91 5.639 4.283 10.009 639 HA SER 91 HA SER 91 3.546 5.828 11.086 640 HB2 SER 91 HB2 SER 91 6.399 6.736 10.677 641 HB3 SER 91 HB1 SER 91 5.280 7.218 11.956 642 HG SER 91 HG SER 91 7.021 5.463 12.297 643 H GLU 92 HN GLU 92 5.479 6.063 8.188 644 HA GLU 92 HA GLU 92 4.680 8.781 7.659 645 HB2 GLU 92 HB2 GLU 92 6.728 6.960 6.737 646 HB3 GLU 92 HB1 GLU 92 5.977 7.823 5.398 647 HG2 GLU 92 HG2 GLU 92 7.932 9.000 6.233 648 HG3 GLU 92 HG1 GLU 92 6.465 9.946 6.485 649 H LEU 93 HN LEU 93 3.998 5.566 6.284 650 HA LEU 93 HA LEU 93 2.359 6.464 4.181 651 HB2 LEU 93 HB2 LEU 93 2.522 3.905 5.710 652 HB3 LEU 93 HB1 LEU 93 1.145 4.178 4.668 653 HG LEU 93 HG LEU 93 2.661 2.900 3.411 654 HD11 LEU 93 HD11 LEU 93 3.303 4.376 1.569 655 HD12 LEU 93 HD12 LEU 93 3.018 5.779 2.600 656 HD13 LEU 93 HD13 LEU 93 1.677 4.724 2.156 657 HD21 LEU 93 HD21 LEU 93 5.003 3.491 3.051 658 HD22 LEU 93 HD22 LEU 93 4.658 3.203 4.757 659 HD23 LEU 93 HD23 LEU 93 4.829 4.853 4.159 660 H GLN 94 HN GLN 94 1.497 5.522 7.506 661 HA GLN 94 HA GLN 94 -1.298 5.953 7.092 662 HB2 GLN 94 HB2 GLN 94 0.306 4.815 9.094 663 HB3 GLN 94 HB1 GLN 94 -0.493 6.178 9.868 664 HG2 GLN 94 HG2 GLN 94 -1.902 4.010 8.323 665 HG3 GLN 94 HG1 GLN 94 -1.734 4.051 10.076 666 HE21 GLN 94 HE21 GLN 94 -4.075 4.166 8.210 667 HE22 GLN 94 HE22 GLN 94 -4.977 5.549 8.716 668 H ALA 95 HN ALA 95 1.365 7.951 7.756 669 HA ALA 95 HA ALA 95 0.089 10.173 8.932 670 HB1 ALA 95 HB1 ALA 95 2.060 11.323 8.518 671 HB2 ALA 95 HB2 ALA 95 2.403 10.387 7.061 672 HB3 ALA 95 HB3 ALA 95 2.588 9.640 8.653 673 H VAL 96 HN VAL 96 0.741 9.324 5.530 674 HA VAL 96 HA VAL 96 -0.527 11.733 4.635 675 HB VAL 96 HB VAL 96 0.629 11.392 2.769 676 HG11 VAL 96 HG11 VAL 96 1.226 8.604 3.716 677 HG12 VAL 96 HG12 VAL 96 2.164 10.052 4.089 678 HG13 VAL 96 HG13 VAL 96 2.066 9.466 2.420 679 HG21 VAL 96 HG21 VAL 96 -0.022 9.655 1.167 680 HG22 VAL 96 HG22 VAL 96 -1.433 10.466 1.865 681 HG23 VAL 96 HG23 VAL 96 -0.961 8.855 2.430 682 H ILE 97 HN ILE 97 -1.415 8.407 5.234 683 HA ILE 97 HA ILE 97 -3.965 8.451 4.092 684 HB ILE 97 HB ILE 97 -2.846 7.145 6.535 685 HG12 ILE 97 HG12 ILE 97 -4.202 5.677 4.343 686 HG13 ILE 97 HG11 ILE 97 -2.663 6.450 3.959 687 HG21 ILE 97 HG21 ILE 97 -5.701 6.957 5.610 688 HG22 ILE 97 HG22 ILE 97 -5.138 7.712 7.102 689 HG23 ILE 97 HG23 ILE 97 -4.951 5.973 6.868 690 HD11 ILE 97 HD11 ILE 97 -1.551 5.210 5.669 691 HD12 ILE 97 HD12 ILE 97 -2.463 4.090 4.655 692 HD13 ILE 97 HD13 ILE 97 -3.083 4.548 6.241 693 H ASP 98 HN ASP 98 -3.071 9.130 7.437 694 HA ASP 98 HA ASP 98 -5.393 10.387 8.272 695 HB2 ASP 98 HB2 ASP 98 -3.653 9.670 9.802 696 HB3 ASP 98 HB1 ASP 98 -2.515 10.837 9.130 697 H SER 99 HN SER 99 -2.708 11.728 6.446 698 HA SER 99 HA SER 99 -3.593 14.460 6.824 699 HB2 SER 99 HB2 SER 99 -1.235 14.081 6.841 700 HB3 SER 99 HB1 SER 99 -1.284 13.294 5.264 701 HG SER 99 HG SER 99 -1.187 15.189 4.367 702 H ASP 100 HN ASP 100 -2.974 12.407 3.931 703 HA ASP 100 HA ASP 100 -4.211 14.207 2.149 704 HB2 ASP 100 HB2 ASP 100 -3.024 11.579 2.012 705 HB3 ASP 100 HB1 ASP 100 -4.216 11.871 0.834 706 H LYS 101 HN LYS 101 -5.590 11.988 4.338 707 HA LYS 101 HA LYS 101 -7.981 11.281 3.158 708 HB2 LYS 101 HB2 LYS 101 -7.053 11.849 5.864 709 HB3 LYS 101 HB1 LYS 101 -8.779 12.156 5.649 710 HG2 LYS 101 HG2 LYS 101 -9.231 9.979 5.433 711 HG3 LYS 101 HG1 LYS 101 -7.713 9.661 4.586 712 HD2 LYS 101 HD2 LYS 101 -7.288 8.660 6.604 713 HD3 LYS 101 HD1 LYS 101 -6.638 10.252 6.877 714 HE2 LYS 101 HE2 LYS 101 -9.381 9.366 7.709 715 HE3 LYS 101 HE1 LYS 101 -7.965 9.398 8.757 716 HZ1 LYS 101 HZ1 LYS 101 -9.110 11.787 7.401 717 HZ2 LYS 101 HZ2 LYS 101 -7.847 11.772 8.534 718 HZ3 LYS 101 HZ3 LYS 101 -9.417 11.355 9.009 719 H SER 102 HN SER 102 -6.880 14.426 4.127 720 HA SER 102 HA SER 102 -9.373 15.785 3.909 721 HB2 SER 102 HB2 SER 102 -7.235 16.618 5.046 722 HB3 SER 102 HB1 SER 102 -6.660 17.020 3.428 723 HG SER 102 HG SER 102 -9.119 17.951 4.512 724 H ASN 103 HN ASN 103 -7.201 14.471 1.661 725 HA ASN 103 HA ASN 103 -8.260 16.008 -0.589 726 HB2 ASN 103 HB2 ASN 103 -5.723 15.275 -0.149 727 HB3 ASN 103 HB1 ASN 103 -6.287 13.810 -0.940 728 HD21 ASN 103 HD21 ASN 103 -6.894 13.866 -3.099 729 HD22 ASN 103 HD22 ASN 103 -6.473 15.179 -4.135 730 H TYR 104 HN TYR 104 -8.218 12.853 0.877 731 HA TYR 104 HA TYR 104 -10.483 12.005 -0.764 732 HB2 TYR 104 HB2 TYR 104 -8.653 9.801 -0.236 733 HB3 TYR 104 HB1 TYR 104 -9.490 10.200 -1.727 734 HD1 TYR 104 HD2 TYR 104 -6.533 11.079 0.353 735 HD2 TYR 104 HD1 TYR 104 -8.246 11.037 -3.543 736 HE1 TYR 104 HE2 TYR 104 -4.368 11.734 -0.591 737 HE2 TYR 104 HE1 TYR 104 -6.097 11.697 -4.515 738 HH TYR 104 HH TYR 104 -3.173 11.816 -2.583 739 H CYS 105 HN CYS 105 -11.949 11.437 0.747 740 HA CYS 105 HA CYS 105 -11.254 9.304 2.486 741 HB2 CYS 105 HB2 CYS 105 -10.536 10.822 4.068 742 HB3 CYS 105 HB1 CYS 105 -11.704 12.052 3.588 743 HG CYS 105 HG CYS 105 -12.921 11.590 5.841 744 H THR 106 HN THR 106 -12.863 7.956 2.450 745 HA THR 106 HA THR 106 -15.418 8.801 1.408 746 HB THR 106 HB THR 106 -15.904 6.276 1.696 747 HG1 THR 106 HG1 THR 106 -13.532 5.311 1.515 748 HG21 THR 106 HG21 THR 106 -13.712 7.206 -0.152 749 HG22 THR 106 HG22 THR 106 -15.447 7.338 -0.446 750 HG23 THR 106 HG23 THR 106 -14.688 5.751 -0.357 751 H ASP 107 HN ASP 107 -17.276 8.978 2.524 752 HA ASP 107 HA ASP 107 -17.147 9.045 5.390 753 HB2 ASP 107 HB2 ASP 107 -19.375 9.533 3.419 754 HB3 ASP 107 HB1 ASP 107 -19.631 9.562 5.161 755 H LYS 108 HN LYS 108 -16.535 6.892 5.709 756 HA LYS 108 HA LYS 108 -16.754 4.720 6.155 757 HB2 LYS 108 HB2 LYS 108 -18.656 5.389 7.539 758 HB3 LYS 108 HB1 LYS 108 -19.709 5.266 6.144 759 HG2 LYS 108 HG2 LYS 108 -19.897 3.336 7.653 760 HG3 LYS 108 HG1 LYS 108 -19.378 2.883 6.031 761 HD2 LYS 108 HD2 LYS 108 -17.085 2.675 6.778 762 HD3 LYS 108 HD1 LYS 108 -17.525 3.259 8.389 763 HE2 LYS 108 HE2 LYS 108 -18.458 0.711 7.070 764 HE3 LYS 108 HE1 LYS 108 -17.283 0.838 8.376 765 HZ1 LYS 108 HZ1 LYS 108 -19.010 1.718 9.809 766 HZ2 LYS 108 HZ2 LYS 108 -19.464 0.205 9.191 767 HZ3 LYS 108 HZ3 LYS 108 -20.147 1.621 8.553 768 H SER 109 HN SER 109 -19.803 4.386 4.485 769 HA SER 109 HA SER 109 -20.342 2.862 2.878 770 HB2 SER 109 HB2 SER 109 -17.913 4.004 1.491 771 HB3 SER 109 HB1 SER 109 -19.259 3.153 0.734 772 HG SER 109 HG SER 109 -19.577 5.362 0.520 773 H GLU 110 HN GLU 110 -18.300 2.205 4.964 774 HA GLU 110 HA GLU 110 -16.831 0.665 5.640 775 HB2 GLU 110 HB2 GLU 110 -17.892 -0.975 3.324 776 HB3 GLU 110 HB1 GLU 110 -17.038 -1.589 4.737 777 HG2 GLU 110 HG2 GLU 110 -18.845 -0.893 6.179 778 HG3 GLU 110 HG1 GLU 110 -19.685 -0.161 4.815 779 H GLN 111 HN GLN 111 -16.507 -0.350 2.276 780 HA GLN 111 HA GLN 111 -14.569 1.544 1.537 781 HB2 GLN 111 HB2 GLN 111 -12.550 0.262 1.435 782 HB3 GLN 111 HB1 GLN 111 -13.145 0.176 3.084 783 HG2 GLN 111 HG2 GLN 111 -13.684 -1.994 1.084 784 HG3 GLN 111 HG1 GLN 111 -12.216 -1.950 2.057 785 HE21 GLN 111 HE21 GLN 111 -12.377 -2.205 4.302 786 HE22 GLN 111 HE22 GLN 111 -13.761 -2.945 5.034 787 H GLN 112 HN GLN 112 -13.682 1.031 -0.674 788 HA GLN 112 HA GLN 112 -15.835 -0.385 -2.086 789 HB2 GLN 112 HB2 GLN 112 -15.550 2.010 -2.576 790 HB3 GLN 112 HB1 GLN 112 -13.912 1.697 -3.127 791 HG2 GLN 112 HG2 GLN 112 -15.233 1.889 -5.061 792 HG3 GLN 112 HG1 GLN 112 -14.903 0.171 -4.866 793 HE21 GLN 112 HE21 GLN 112 -16.909 -0.084 -2.700 794 HE22 GLN 112 HE22 GLN 112 -18.443 -0.068 -3.500 795 HA PRO 113 HA PRO 113 -12.635 -3.354 -3.289 796 HB2 PRO 113 HB2 PRO 113 -14.865 -5.104 -3.887 797 HB3 PRO 113 HB1 PRO 113 -13.634 -5.286 -2.638 798 HG2 PRO 113 HG2 PRO 113 -16.260 -4.773 -2.101 799 HG3 PRO 113 HG1 PRO 113 -14.925 -4.289 -1.036 800 HD2 PRO 113 HD2 PRO 113 -16.461 -2.652 -3.022 801 HD3 PRO 113 HD1 PRO 113 -15.900 -2.216 -1.391 802 H SER 114 HN SER 114 -12.402 -4.563 -5.381 803 HA SER 114 HA SER 114 -13.223 -2.786 -7.506 804 HB2 SER 114 HB2 SER 114 -11.529 -5.277 -7.724 805 HB3 SER 114 HB1 SER 114 -11.594 -3.919 -8.847 806 HG SER 114 HG SER 114 -10.925 -2.709 -6.758 807 H GLN 115 HN GLN 115 -15.433 -3.217 -7.646 808 HA GLN 115 HA GLN 115 -16.017 -5.641 -9.195 809 HB2 GLN 115 HB2 GLN 115 -16.888 -5.935 -6.888 810 HB3 GLN 115 HB1 GLN 115 -17.825 -4.458 -7.067 811 HG2 GLN 115 HG2 GLN 115 -19.241 -6.385 -7.375 812 HG3 GLN 115 HG1 GLN 115 -19.099 -5.493 -8.888 813 HE21 GLN 115 HE21 GLN 115 -16.615 -7.609 -7.612 814 HE22 GLN 115 HE22 GLN 115 -16.760 -8.829 -8.833 815 H ALA 116 HN ALA 116 -15.464 -3.939 -10.797 816 HA ALA 116 HA ALA 116 -16.031 -2.528 -12.469 817 HB1 ALA 116 HB1 ALA 116 -18.348 -2.141 -13.047 818 HB2 ALA 116 HB2 ALA 116 -18.869 -2.779 -11.486 819 HB3 ALA 116 HB3 ALA 116 -18.092 -3.843 -12.661 820 H THR 117 HN THR 117 -16.397 -0.331 -12.883 821 HA THR 117 HA THR 117 -16.317 1.885 -12.418 822 HB THR 117 HB THR 117 -17.921 1.211 -9.939 823 HG1 THR 117 HG1 THR 117 -19.728 1.496 -11.237 824 HG21 THR 117 HG21 THR 117 -17.674 3.780 -11.512 825 HG22 THR 117 HG22 THR 117 -16.987 3.477 -9.917 826 HG23 THR 117 HG23 THR 117 -18.736 3.516 -10.128 827 HA PRO 118 HA PRO 118 -12.687 1.056 -9.583 828 HB2 PRO 118 HB2 PRO 118 -11.494 2.811 -11.667 829 HB3 PRO 118 HB1 PRO 118 -10.841 1.356 -10.904 830 HG2 PRO 118 HG2 PRO 118 -11.785 1.270 -13.393 831 HG3 PRO 118 HG1 PRO 118 -12.071 -0.068 -12.264 832 HD2 PRO 118 HD2 PRO 118 -13.934 2.102 -13.144 833 HD3 PRO 118 HD1 PRO 118 -14.265 0.381 -12.858 834 HA PRO 119 HA PRO 119 -12.719 5.739 -8.782 835 HB2 PRO 119 HB2 PRO 119 -14.013 7.266 -10.821 836 HB3 PRO 119 HB1 PRO 119 -12.298 7.256 -10.409 837 HG2 PRO 119 HG2 PRO 119 -13.367 6.318 -12.782 838 HG3 PRO 119 HG1 PRO 119 -11.781 5.869 -12.134 839 HD2 PRO 119 HD2 PRO 119 -14.367 4.375 -12.028 840 HD3 PRO 119 HD1 PRO 119 -12.714 3.761 -12.242 841 HA PRO 120 HA PRO 120 -16.891 4.959 -7.293 842 HB2 PRO 120 HB2 PRO 120 -16.110 7.082 -5.367 843 HB3 PRO 120 HB1 PRO 120 -16.736 5.459 -5.060 844 HG2 PRO 120 HG2 PRO 120 -14.168 6.018 -4.647 845 HG3 PRO 120 HG1 PRO 120 -14.658 4.460 -5.339 846 HD2 PRO 120 HD2 PRO 120 -13.511 6.864 -6.701 847 HD3 PRO 120 HD1 PRO 120 -13.176 5.143 -6.981 848 H GLU 121 HN GLU 121 -15.547 8.083 -8.075 849 HA GLU 121 HA GLU 121 -18.147 8.945 -9.032 850 HB2 GLU 121 HB2 GLU 121 -17.830 11.200 -7.963 851 HB3 GLU 121 HB1 GLU 121 -18.209 9.895 -6.848 852 HG2 GLU 121 HG2 GLU 121 -15.757 9.722 -6.362 853 HG3 GLU 121 HG1 GLU 121 -15.536 11.188 -7.317 854 H ILE 122 HN ILE 122 -18.052 10.324 -10.756 855 HA ILE 122 HA ILE 122 -15.349 10.919 -11.784 856 HB ILE 122 HB ILE 122 -17.846 10.380 -13.409 857 HG12 ILE 122 HG12 ILE 122 -15.434 8.600 -12.957 858 HG13 ILE 122 HG11 ILE 122 -17.021 8.357 -12.232 859 HG21 ILE 122 HG21 ILE 122 -16.265 11.877 -14.511 860 HG22 ILE 122 HG22 ILE 122 -16.319 10.311 -15.321 861 HG23 ILE 122 HG23 ILE 122 -14.968 10.708 -14.258 862 HD11 ILE 122 HD11 ILE 122 -17.987 8.012 -14.430 863 HD12 ILE 122 HD12 ILE 122 -16.653 6.894 -14.147 864 HD13 ILE 122 HD13 ILE 122 -16.420 8.306 -15.179 865 HA PRO 123 HA PRO 123 -17.281 15.049 -11.367 866 HB2 PRO 123 HB2 PRO 123 -14.631 16.022 -10.780 867 HB3 PRO 123 HB1 PRO 123 -16.026 15.930 -9.703 868 HG2 PRO 123 HG2 PRO 123 -13.764 14.411 -9.409 869 HG3 PRO 123 HG1 PRO 123 -15.363 13.936 -8.811 870 HD2 PRO 123 HD2 PRO 123 -13.930 13.066 -11.291 871 HD3 PRO 123 HD1 PRO 123 -14.919 12.111 -10.163 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 -2.448 13.210 -6.936 2 H2 ALA 1 HT2 ALA 1 -1.210 12.508 -6.011 3 H3 ALA 1 HT3 ALA 1 -2.588 13.123 -5.252 4 HA ALA 1 HA ALA 1 -2.550 10.812 -7.109 5 HB1 ALA 1 HB1 ALA 1 -1.509 10.608 -4.742 6 HB2 ALA 1 HB2 ALA 1 -2.657 9.389 -5.285 7 HB3 ALA 1 HB3 ALA 1 -3.182 10.670 -4.186 8 HA PRO 2 HA PRO 2 -6.909 11.511 -7.412 9 HB2 PRO 2 HB2 PRO 2 -7.141 8.664 -7.967 10 HB3 PRO 2 HB1 PRO 2 -7.446 10.034 -9.018 11 HG2 PRO 2 HG2 PRO 2 -5.340 8.436 -9.433 12 HG3 PRO 2 HG1 PRO 2 -5.211 10.193 -9.677 13 HD2 PRO 2 HD2 PRO 2 -4.413 8.584 -7.270 14 HD3 PRO 2 HD1 PRO 2 -3.470 9.794 -8.167 15 H THR 3 HN THR 3 -5.645 8.773 -5.613 16 HA THR 3 HA THR 3 -7.932 9.011 -3.812 17 HB THR 3 HB THR 3 -7.947 6.568 -3.518 18 HG1 THR 3 HG1 THR 3 -6.735 5.723 -5.689 19 HG21 THR 3 HG21 THR 3 -8.934 6.007 -5.739 20 HG22 THR 3 HG22 THR 3 -8.319 7.546 -6.359 21 HG23 THR 3 HG23 THR 3 -9.531 7.528 -5.074 22 H LEU 4 HN LEU 4 -7.440 7.713 -1.692 23 HA LEU 4 HA LEU 4 -5.268 9.151 -0.640 24 HB2 LEU 4 HB2 LEU 4 -7.192 8.759 0.722 25 HB3 LEU 4 HB1 LEU 4 -6.976 7.026 0.622 26 HG LEU 4 HG LEU 4 -4.790 7.338 1.851 27 HD11 LEU 4 HD11 LEU 4 -4.662 9.492 3.154 28 HD12 LEU 4 HD12 LEU 4 -5.909 10.123 2.072 29 HD13 LEU 4 HD13 LEU 4 -4.335 9.632 1.418 30 HD21 LEU 4 HD21 LEU 4 -7.306 8.214 3.266 31 HD22 LEU 4 HD22 LEU 4 -5.848 7.583 4.034 32 HD23 LEU 4 HD23 LEU 4 -6.807 6.548 2.977 33 H GLN 5 HN GLN 5 -5.595 5.761 -1.573 34 HA GLN 5 HA GLN 5 -3.197 4.959 -0.318 35 HB2 GLN 5 HB2 GLN 5 -4.883 3.318 -0.984 36 HB3 GLN 5 HB1 GLN 5 -4.547 3.652 -2.680 37 HG2 GLN 5 HG2 GLN 5 -2.116 3.111 -2.095 38 HG3 GLN 5 HG1 GLN 5 -2.773 2.377 -0.639 39 HE21 GLN 5 HE21 GLN 5 -1.338 1.326 -3.003 40 HE22 GLN 5 HE22 GLN 5 -2.318 0.022 -3.567 41 H GLU 6 HN GLU 6 -3.848 6.304 -3.539 42 HA GLU 6 HA GLU 6 -1.244 5.696 -4.503 43 HB2 GLU 6 HB2 GLU 6 -3.083 6.323 -6.068 44 HB3 GLU 6 HB1 GLU 6 -2.940 7.975 -5.500 45 HG2 GLU 6 HG2 GLU 6 -0.561 7.934 -6.142 46 HG3 GLU 6 HG1 GLU 6 -0.860 6.383 -6.870 47 H ALA 7 HN ALA 7 -2.529 8.211 -2.502 48 HA ALA 7 HA ALA 7 -0.268 9.951 -2.608 49 HB1 ALA 7 HB1 ALA 7 -2.387 10.735 -1.711 50 HB2 ALA 7 HB2 ALA 7 -1.173 10.801 -0.435 51 HB3 ALA 7 HB3 ALA 7 -2.371 9.500 -0.450 52 H LEU 8 HN LEU 8 -1.008 6.972 -0.997 53 HA LEU 8 HA LEU 8 1.280 6.960 0.709 54 HB2 LEU 8 HB2 LEU 8 -0.367 4.692 -0.325 55 HB3 LEU 8 HB1 LEU 8 0.849 4.564 0.922 56 HG LEU 8 HG LEU 8 -1.781 5.988 1.076 57 HD11 LEU 8 HD11 LEU 8 -0.596 3.739 2.692 58 HD12 LEU 8 HD12 LEU 8 -1.727 3.526 1.356 59 HD13 LEU 8 HD13 LEU 8 -2.234 4.382 2.812 60 HD21 LEU 8 HD21 LEU 8 0.566 6.017 2.945 61 HD22 LEU 8 HD22 LEU 8 -1.067 6.462 3.427 62 HD23 LEU 8 HD23 LEU 8 -0.229 7.397 2.183 63 H ASP 9 HN ASP 9 0.421 5.398 -2.336 64 HA ASP 9 HA ASP 9 2.822 4.122 -2.910 65 HB2 ASP 9 HB2 ASP 9 0.859 5.346 -4.873 66 HB3 ASP 9 HB1 ASP 9 2.055 4.109 -5.244 67 H ARG 10 HN ARG 10 1.826 7.427 -3.206 68 HA ARG 10 HA ARG 10 4.019 8.305 -4.834 69 HB2 ARG 10 HB2 ARG 10 1.661 9.459 -3.445 70 HB3 ARG 10 HB1 ARG 10 2.966 10.564 -3.809 71 HG2 ARG 10 HG2 ARG 10 2.799 10.122 -6.141 72 HG3 ARG 10 HG1 ARG 10 1.702 8.767 -5.856 73 HD2 ARG 10 HD2 ARG 10 0.013 10.220 -5.032 74 HD3 ARG 10 HD1 ARG 10 1.097 11.593 -5.099 75 HE ARG 10 HE ARG 10 -0.062 10.191 -7.428 76 HH11 ARG 10 HH11 ARG 10 1.542 12.996 -6.048 77 HH12 ARG 10 HH12 ARG 10 1.234 14.003 -7.432 78 HH21 ARG 10 HH21 ARG 10 -0.458 11.528 -9.245 79 HH22 ARG 10 HH22 ARG 10 0.135 13.163 -9.247 80 H LYS 11 HN LYS 11 3.253 8.232 -1.385 81 HA LYS 11 HA LYS 11 5.608 9.548 -0.512 82 HB2 LYS 11 HB2 LYS 11 3.551 9.065 0.867 83 HB3 LYS 11 HB1 LYS 11 4.107 7.406 0.947 84 HG2 LYS 11 HG2 LYS 11 4.695 8.818 2.918 85 HG3 LYS 11 HG1 LYS 11 6.045 7.993 2.142 86 HD2 LYS 11 HD2 LYS 11 6.666 10.241 2.651 87 HD3 LYS 11 HD1 LYS 11 6.556 10.044 0.905 88 HE2 LYS 11 HE2 LYS 11 4.304 11.009 0.958 89 HE3 LYS 11 HE1 LYS 11 4.472 11.240 2.686 90 HZ1 LYS 11 HZ1 LYS 11 4.950 13.297 1.642 91 HZ2 LYS 11 HZ2 LYS 11 6.016 12.570 0.543 92 HZ3 LYS 11 HZ3 LYS 11 6.436 12.675 2.181 93 H CYS 12 HN CYS 12 4.643 6.292 -1.244 94 HA CYS 12 HA CYS 12 6.917 4.826 -0.638 95 HB2 CYS 12 HB2 CYS 12 4.747 4.456 -2.690 96 HB3 CYS 12 HB1 CYS 12 6.005 3.261 -2.445 97 HG CYS 12 HG CYS 12 3.465 2.649 -1.190 98 H ALA 13 HN ALA 13 6.136 6.703 -3.501 99 HA ALA 13 HA ALA 13 8.328 5.757 -5.069 100 HB1 ALA 13 HB1 ALA 13 6.592 6.616 -6.325 101 HB2 ALA 13 HB2 ALA 13 7.772 7.927 -6.371 102 HB3 ALA 13 HB3 ALA 13 6.375 8.026 -5.283 103 H GLN 14 HN GLN 14 7.808 8.361 -2.807 104 HA GLN 14 HA GLN 14 10.112 9.887 -3.423 105 HB2 GLN 14 HB2 GLN 14 8.323 9.726 -1.026 106 HB3 GLN 14 HB1 GLN 14 9.679 10.849 -1.124 107 HG2 GLN 14 HG2 GLN 14 8.698 11.789 -3.177 108 HG3 GLN 14 HG1 GLN 14 7.308 10.731 -2.962 109 HE21 GLN 14 HE21 GLN 14 9.025 13.494 -1.750 110 HE22 GLN 14 HE22 GLN 14 7.753 14.097 -0.736 111 H PHE 15 HN PHE 15 9.532 7.133 -1.447 112 HA PHE 15 HA PHE 15 12.182 7.267 -0.215 113 HB2 PHE 15 HB2 PHE 15 9.951 5.275 0.186 114 HB3 PHE 15 HB1 PHE 15 11.439 5.356 1.115 115 HD1 PHE 15 HD2 PHE 15 11.696 8.151 1.663 116 HD2 PHE 15 HD1 PHE 15 8.211 5.726 1.682 117 HE1 PHE 15 HE2 PHE 15 10.656 9.697 3.228 118 HE2 PHE 15 HE1 PHE 15 7.142 7.290 3.265 119 HZ PHE 15 HZ PHE 15 8.197 8.996 4.153 120 H GLY 16 HN GLY 16 10.139 4.909 -1.910 121 HA2 GLY 16 HA2 GLY 16 11.958 2.868 -2.273 122 HA3 GLY 16 HA1 GLY 16 10.615 3.218 -3.347 123 H LYS 17 HN LYS 17 11.165 5.439 -4.609 124 HA LYS 17 HA LYS 17 13.222 4.512 -6.366 125 HB2 LYS 17 HB2 LYS 17 11.697 7.077 -6.631 126 HB3 LYS 17 HB1 LYS 17 12.419 6.083 -7.897 127 HG2 LYS 17 HG2 LYS 17 10.030 5.414 -6.211 128 HG3 LYS 17 HG1 LYS 17 10.036 5.814 -7.922 129 HD2 LYS 17 HD2 LYS 17 11.437 3.798 -8.334 130 HD3 LYS 17 HD1 LYS 17 11.271 3.374 -6.627 131 HE2 LYS 17 HE2 LYS 17 8.809 3.379 -6.947 132 HE3 LYS 17 HE1 LYS 17 9.086 3.600 -8.677 133 HZ1 LYS 17 HZ1 LYS 17 10.432 1.562 -8.628 134 HZ2 LYS 17 HZ2 LYS 17 8.806 1.299 -8.245 135 HZ3 LYS 17 HZ3 LYS 17 9.968 1.313 -7.017 136 H GLU 18 HN GLU 18 12.964 6.800 -3.824 137 HA GLU 18 HA GLU 18 15.306 8.274 -4.375 138 HB2 GLU 18 HB2 GLU 18 13.905 9.018 -2.608 139 HB3 GLU 18 HB1 GLU 18 14.014 7.475 -1.763 140 HG2 GLU 18 HG2 GLU 18 16.387 7.897 -1.337 141 HG3 GLU 18 HG1 GLU 18 16.273 9.430 -2.197 142 H SER 19 HN SER 19 14.763 5.190 -2.714 143 HA SER 19 HA SER 19 17.451 4.510 -2.275 144 HB2 SER 19 HB2 SER 19 15.170 2.648 -2.935 145 HB3 SER 19 HB1 SER 19 16.683 2.211 -2.135 146 HG SER 19 HG SER 19 14.899 4.145 -1.080 147 H CYS 20 HN CYS 20 15.326 4.020 -5.022 148 HA CYS 20 HA CYS 20 17.117 2.677 -6.700 149 HB2 CYS 20 HB2 CYS 20 15.110 2.568 -7.690 150 HB3 CYS 20 HB1 CYS 20 14.552 4.040 -6.919 151 HG CYS 20 HG CYS 20 16.724 4.793 -9.292 152 H ASN 21 HN ASN 21 16.534 6.116 -6.167 153 HA ASN 21 HA ASN 21 18.370 7.090 -8.090 154 HB2 ASN 21 HB2 ASN 21 17.031 8.281 -5.676 155 HB3 ASN 21 HB1 ASN 21 18.272 9.178 -6.551 156 HD21 ASN 21 HD21 ASN 21 15.292 9.500 -6.198 157 HD22 ASN 21 HD22 ASN 21 14.691 9.701 -7.812 158 H SER 22 HN SER 22 18.708 5.921 -4.846 159 HA SER 22 HA SER 22 21.365 6.908 -4.451 160 HB2 SER 22 HB2 SER 22 19.931 6.459 -2.542 161 HB3 SER 22 HB1 SER 22 19.792 4.766 -3.006 162 HG SER 22 HG SER 22 22.193 6.098 -2.267 163 H GLY 23 HN GLY 23 19.920 4.058 -5.848 164 HA2 GLY 23 HA2 GLY 23 21.642 3.174 -7.556 165 HA3 GLY 23 HA1 GLY 23 22.578 2.831 -6.111 166 H LEU 24 HN LEU 24 19.374 2.427 -5.347 167 HA LEU 24 HA LEU 24 19.599 -0.413 -5.280 168 HB2 LEU 24 HB2 LEU 24 17.717 1.607 -4.340 169 HB3 LEU 24 HB1 LEU 24 16.922 0.154 -4.910 170 HG LEU 24 HG LEU 24 17.573 0.356 -2.405 171 HD11 LEU 24 HD11 LEU 24 17.928 -2.057 -2.285 172 HD12 LEU 24 HD12 LEU 24 18.231 -2.095 -4.021 173 HD13 LEU 24 HD13 LEU 24 16.640 -1.637 -3.412 174 HD21 LEU 24 HD21 LEU 24 19.877 1.002 -2.713 175 HD22 LEU 24 HD22 LEU 24 20.186 -0.454 -3.664 176 HD23 LEU 24 HD23 LEU 24 19.811 -0.583 -1.941 177 H ALA 25 HN ALA 25 19.402 -1.675 -6.920 178 HA ALA 25 HA ALA 25 18.383 -0.745 -9.438 179 HB1 ALA 25 HB1 ALA 25 20.323 -2.230 -9.268 180 HB2 ALA 25 HB2 ALA 25 19.056 -2.902 -10.293 181 HB3 ALA 25 HB3 ALA 25 19.277 -3.510 -8.651 182 H SER 26 HN SER 26 16.950 -2.129 -6.749 183 HA SER 26 HA SER 26 14.983 -3.732 -8.024 184 HB2 SER 26 HB2 SER 26 13.882 -3.666 -5.798 185 HB3 SER 26 HB1 SER 26 15.557 -4.217 -5.769 186 HG SER 26 HG SER 26 15.417 -2.750 -4.150 187 H TYR 27 HN TYR 27 14.676 -0.599 -6.307 188 HA TYR 27 HA TYR 27 12.042 -0.138 -7.257 189 HB2 TYR 27 HB2 TYR 27 13.923 2.039 -6.313 190 HB3 TYR 27 HB1 TYR 27 12.164 1.960 -6.184 191 HD1 TYR 27 HD2 TYR 27 11.144 0.131 -4.690 192 HD2 TYR 27 HD1 TYR 27 15.260 1.256 -4.557 193 HE1 TYR 27 HE2 TYR 27 11.333 -0.775 -2.409 194 HE2 TYR 27 HE1 TYR 27 15.454 0.323 -2.288 195 HH TYR 27 HH TYR 27 13.043 -1.649 -0.906 196 H CYS 28 HN CYS 28 15.125 0.284 -8.654 197 HA CYS 28 HA CYS 28 14.623 2.437 -10.399 198 HB2 CYS 28 HB2 CYS 28 16.889 1.730 -9.916 199 HB3 CYS 28 HB1 CYS 28 16.574 0.138 -10.593 200 HG CYS 28 HG CYS 28 17.379 3.004 -12.139 201 H GLY 29 HN GLY 29 13.123 2.495 -11.940 202 HA2 GLY 29 HA2 GLY 29 11.987 1.876 -13.862 203 HA3 GLY 29 HA1 GLY 29 12.950 0.405 -13.916 204 H ALA 30 HN ALA 30 11.605 0.800 -10.904 205 HA ALA 30 HA ALA 30 9.602 -1.256 -11.497 206 HB1 ALA 30 HB1 ALA 30 9.690 -1.737 -9.088 207 HB2 ALA 30 HB2 ALA 30 10.873 -0.441 -8.880 208 HB3 ALA 30 HB3 ALA 30 11.277 -1.863 -9.848 209 H ALA 31 HN ALA 31 7.596 -1.168 -10.301 210 HA ALA 31 HA ALA 31 6.570 1.505 -9.743 211 HB1 ALA 31 HB1 ALA 31 4.394 0.358 -9.678 212 HB2 ALA 31 HB2 ALA 31 5.214 -1.173 -10.020 213 HB3 ALA 31 HB3 ALA 31 5.231 0.132 -11.214 214 H ILE 32 HN ILE 32 6.162 2.076 -7.551 215 HA ILE 32 HA ILE 32 6.448 -0.149 -5.663 216 HB ILE 32 HB ILE 32 8.382 1.417 -5.522 217 HG12 ILE 32 HG12 ILE 32 6.807 1.723 -3.000 218 HG13 ILE 32 HG11 ILE 32 7.222 0.106 -3.560 219 HG21 ILE 32 HG21 ILE 32 6.214 3.359 -4.856 220 HG22 ILE 32 HG22 ILE 32 7.497 3.492 -6.064 221 HG23 ILE 32 HG23 ILE 32 7.883 3.597 -4.335 222 HD11 ILE 32 HD11 ILE 32 8.798 1.085 -1.907 223 HD12 ILE 32 HD12 ILE 32 9.248 2.283 -3.127 224 HD13 ILE 32 HD13 ILE 32 9.539 0.561 -3.422 225 H TYR 33 HN TYR 33 5.026 -0.339 -4.039 226 HA TYR 33 HA TYR 33 2.738 1.505 -4.112 227 HB2 TYR 33 HB2 TYR 33 2.578 -1.507 -4.025 228 HB3 TYR 33 HB1 TYR 33 1.223 -0.384 -4.034 229 HD1 TYR 33 HD1 TYR 33 0.846 1.042 -6.064 230 HD2 TYR 33 HD2 TYR 33 3.563 -2.228 -6.032 231 HE1 TYR 33 HE1 TYR 33 0.805 1.008 -8.512 232 HE2 TYR 33 HE2 TYR 33 3.544 -2.268 -8.499 233 HH TYR 33 HH TYR 33 2.112 0.275 -10.361 234 H ALA 34 HN ALA 34 1.427 1.526 -2.276 235 HA ALA 34 HA ALA 34 2.851 0.920 0.204 236 HB1 ALA 34 HB1 ALA 34 0.122 2.134 0.023 237 HB2 ALA 34 HB2 ALA 34 1.572 3.093 -0.325 238 HB3 ALA 34 HB3 ALA 34 1.360 2.349 1.268 239 H ARG 35 HN ARG 35 2.599 -1.088 0.975 240 HA ARG 35 HA ARG 35 -0.153 -2.073 1.016 241 HB2 ARG 35 HB2 ARG 35 1.656 -3.241 -0.594 242 HB3 ARG 35 HB1 ARG 35 2.002 -4.119 0.888 243 HG2 ARG 35 HG2 ARG 35 0.386 -5.319 -0.447 244 HG3 ARG 35 HG1 ARG 35 -0.353 -4.755 1.055 245 HD2 ARG 35 HD2 ARG 35 -1.824 -4.395 -0.875 246 HD3 ARG 35 HD1 ARG 35 -1.355 -2.872 -0.121 247 HE ARG 35 HE ARG 35 0.457 -3.423 -2.177 248 HH11 ARG 35 HH11 ARG 35 -2.946 -2.692 -1.858 249 HH12 ARG 35 HH12 ARG 35 -3.049 -1.910 -3.404 250 HH21 ARG 35 HH21 ARG 35 0.320 -2.367 -4.199 251 HH22 ARG 35 HH22 ARG 35 -1.203 -1.729 -4.728 252 H TYR 36 HN TYR 36 -0.836 -2.125 2.993 253 HA TYR 36 HA TYR 36 0.873 -2.321 5.294 254 HB2 TYR 36 HB2 TYR 36 -1.421 -1.190 5.210 255 HB3 TYR 36 HB1 TYR 36 -2.118 -2.809 5.183 256 HD1 TYR 36 HD1 TYR 36 0.027 -0.535 7.213 257 HD2 TYR 36 HD2 TYR 36 -2.405 -4.013 7.116 258 HE1 TYR 36 HE1 TYR 36 0.089 -0.645 9.666 259 HE2 TYR 36 HE2 TYR 36 -2.361 -4.145 9.551 260 HH TYR 36 HH TYR 36 -0.991 -3.408 11.408 261 H ASP 37 HN ASP 37 2.004 -4.248 4.686 262 HA ASP 37 HA ASP 37 0.536 -6.701 5.198 263 HB2 ASP 37 HB2 ASP 37 0.883 -6.006 2.577 264 HB3 ASP 37 HB1 ASP 37 2.358 -6.927 2.882 265 H LYS 38 HN LYS 38 2.301 -8.568 4.799 266 HA LYS 38 HA LYS 38 4.221 -8.133 6.840 267 HB2 LYS 38 HB2 LYS 38 2.904 -10.236 6.210 268 HB3 LYS 38 HB1 LYS 38 4.079 -10.470 4.942 269 HG2 LYS 38 HG2 LYS 38 5.032 -10.029 7.687 270 HG3 LYS 38 HG1 LYS 38 4.319 -11.596 7.315 271 HD2 LYS 38 HD2 LYS 38 6.495 -10.318 5.685 272 HD3 LYS 38 HD1 LYS 38 6.812 -11.452 7.005 273 HE2 LYS 38 HE2 LYS 38 5.420 -13.125 5.834 274 HE3 LYS 38 HE1 LYS 38 5.221 -11.988 4.500 275 HZ1 LYS 38 HZ1 LYS 38 7.590 -12.030 4.138 276 HZ2 LYS 38 HZ2 LYS 38 6.971 -13.610 4.076 277 HZ3 LYS 38 HZ3 LYS 38 7.811 -13.080 5.453 278 H GLY 39 HN GLY 39 6.510 -8.501 6.554 279 HA2 GLY 39 HA2 GLY 39 7.447 -7.416 3.970 280 HA3 GLY 39 HA1 GLY 39 8.274 -7.190 5.504 281 H ASN 40 HN ASN 40 10.114 -8.273 5.577 282 HA ASN 40 HA ASN 40 10.482 -10.649 3.946 283 HB2 ASN 40 HB2 ASN 40 12.214 -8.742 4.270 284 HB3 ASN 40 HB1 ASN 40 12.533 -9.492 5.832 285 HD21 ASN 40 HD21 ASN 40 12.720 -9.864 2.378 286 HD22 ASN 40 HD22 ASN 40 13.836 -11.188 2.382 287 H SER 41 HN SER 41 12.172 -12.214 5.485 288 HA SER 41 HA SER 41 10.318 -13.780 6.850 289 HB2 SER 41 HB2 SER 41 13.322 -13.799 7.210 290 HB3 SER 41 HB1 SER 41 12.212 -15.133 7.526 291 HG SER 41 HG SER 41 12.162 -15.580 5.463 292 H SER 42 HN SER 42 12.910 -11.757 8.257 293 HA SER 42 HA SER 42 11.936 -12.180 10.939 294 HB2 SER 42 HB2 SER 42 13.991 -10.156 10.026 295 HB3 SER 42 HB1 SER 42 13.822 -10.877 11.626 296 HG SER 42 HG SER 42 14.776 -12.666 10.957 297 H GLN 43 HN GLN 43 10.944 -10.282 8.450 298 HA GLN 43 HA GLN 43 10.176 -8.004 10.130 299 HB2 GLN 43 HB2 GLN 43 10.486 -8.227 7.135 300 HB3 GLN 43 HB1 GLN 43 9.819 -6.817 7.949 301 HG2 GLN 43 HG2 GLN 43 12.588 -7.922 8.366 302 HG3 GLN 43 HG1 GLN 43 12.179 -6.531 7.362 303 HE21 GLN 43 HE21 GLN 43 11.588 -4.601 8.344 304 HE22 GLN 43 HE22 GLN 43 11.857 -4.291 10.028 305 H GLN 44 HN GLN 44 8.732 -10.534 10.141 306 HA GLN 44 HA GLN 44 6.509 -10.408 8.430 307 HB2 GLN 44 HB2 GLN 44 5.474 -12.116 9.754 308 HB3 GLN 44 HB1 GLN 44 7.177 -12.473 9.541 309 HG2 GLN 44 HG2 GLN 44 6.204 -11.099 12.005 310 HG3 GLN 44 HG1 GLN 44 6.091 -12.848 11.822 311 HE21 GLN 44 HE21 GLN 44 7.979 -14.051 11.617 312 HE22 GLN 44 HE22 GLN 44 9.506 -13.457 12.183 313 H THR 45 HN THR 45 4.232 -10.679 9.936 314 HA THR 45 HA THR 45 2.461 -9.505 10.611 315 HB THR 45 HB THR 45 2.612 -7.904 12.433 316 HG1 THR 45 HG1 THR 45 5.285 -7.813 11.705 317 HG21 THR 45 HG21 THR 45 4.377 -10.306 12.838 318 HG22 THR 45 HG22 THR 45 2.617 -10.274 12.942 319 HG23 THR 45 HG23 THR 45 3.586 -9.381 14.116 320 H LYS 46 HN LYS 46 1.192 -7.785 9.989 321 HA LYS 46 HA LYS 46 2.332 -6.388 7.753 322 HB2 LYS 46 HB2 LYS 46 -0.459 -6.157 8.824 323 HB3 LYS 46 HB1 LYS 46 0.105 -5.589 7.273 324 HG2 LYS 46 HG2 LYS 46 0.731 -8.065 6.869 325 HG3 LYS 46 HG1 LYS 46 -0.392 -8.375 8.192 326 HD2 LYS 46 HD2 LYS 46 -1.999 -6.833 6.833 327 HD3 LYS 46 HD1 LYS 46 -0.918 -7.195 5.500 328 HE2 LYS 46 HE2 LYS 46 -1.285 -9.568 5.772 329 HE3 LYS 46 HE1 LYS 46 -2.298 -9.262 7.182 330 HZ1 LYS 46 HZ1 LYS 46 -2.902 -8.346 4.423 331 HZ2 LYS 46 HZ2 LYS 46 -3.887 -8.134 5.786 332 HZ3 LYS 46 HZ3 LYS 46 -3.604 -9.689 5.179 333 H GLU 47 HN GLU 47 3.053 -4.429 7.673 334 HA GLU 47 HA GLU 47 1.767 -2.301 9.208 335 HB2 GLU 47 HB2 GLU 47 4.690 -2.946 9.302 336 HB3 GLU 47 HB1 GLU 47 4.181 -1.266 9.334 337 HG2 GLU 47 HG2 GLU 47 3.109 -1.523 11.362 338 HG3 GLU 47 HG1 GLU 47 3.095 -3.272 11.244 339 H TRP 48 HN TRP 48 2.085 -0.266 8.232 340 HA TRP 48 HA TRP 48 1.959 -0.331 5.445 341 HB2 TRP 48 HB2 TRP 48 2.340 1.850 7.440 342 HB3 TRP 48 HB1 TRP 48 2.484 2.173 5.723 343 HD1 TRP 48 HD1 TRP 48 0.072 2.426 8.306 344 HE1 TRP 48 HE1 TRP 48 -2.338 2.416 7.351 345 HE3 TRP 48 HE3 TRP 48 1.046 0.630 3.639 346 HZ2 TRP 48 HZ2 TRP 48 -3.647 1.716 4.912 347 HZ3 TRP 48 HZ3 TRP 48 -0.813 0.312 2.055 348 HH2 TRP 48 HH2 TRP 48 -3.105 0.840 2.689 349 H ARG 49 HN ARG 49 3.565 -0.798 4.115 350 HA ARG 49 HA ARG 49 6.158 0.472 4.578 351 HB2 ARG 49 HB2 ARG 49 5.686 -2.463 3.988 352 HB3 ARG 49 HB1 ARG 49 7.262 -1.683 3.888 353 HG2 ARG 49 HG2 ARG 49 7.447 -1.454 6.160 354 HG3 ARG 49 HG1 ARG 49 5.711 -1.473 6.428 355 HD2 ARG 49 HD2 ARG 49 5.822 -3.909 5.637 356 HD3 ARG 49 HD1 ARG 49 7.560 -3.769 5.890 357 HE ARG 49 HE ARG 49 6.281 -2.895 8.203 358 HH11 ARG 49 HH11 ARG 49 6.577 -5.835 6.386 359 HH12 ARG 49 HH12 ARG 49 6.508 -6.860 7.785 360 HH21 ARG 49 HH21 ARG 49 6.141 -4.240 10.076 361 HH22 ARG 49 HH22 ARG 49 6.216 -5.966 9.858 362 H CYS 50 HN CYS 50 7.522 0.253 2.514 363 HA CYS 50 HA CYS 50 5.743 0.619 0.208 364 HB2 CYS 50 HB2 CYS 50 8.722 1.086 0.338 365 HB3 CYS 50 HB1 CYS 50 7.633 1.588 -0.936 366 HG CYS 50 HG CYS 50 8.715 3.682 0.757 367 H TYR 51 HN TYR 51 5.478 -1.056 -1.052 368 HA TYR 51 HA TYR 51 7.699 -2.968 -1.324 369 HB2 TYR 51 HB2 TYR 51 4.736 -3.514 -1.519 370 HB3 TYR 51 HB1 TYR 51 6.009 -4.691 -1.802 371 HD1 TYR 51 HD1 TYR 51 7.816 -4.398 0.389 372 HD2 TYR 51 HD2 TYR 51 3.592 -4.047 0.338 373 HE1 TYR 51 HE1 TYR 51 7.756 -5.020 2.764 374 HE2 TYR 51 HE2 TYR 51 3.506 -4.653 2.730 375 HH TYR 51 HH TYR 51 4.875 -5.850 4.360 376 H ILE 52 HN ILE 52 8.571 -2.716 -3.308 377 HA ILE 52 HA ILE 52 7.145 -1.428 -5.380 378 HB ILE 52 HB ILE 52 8.996 -2.635 -6.835 379 HG12 ILE 52 HG12 ILE 52 10.186 -2.550 -4.103 380 HG13 ILE 52 HG11 ILE 52 9.815 -4.019 -5.013 381 HG21 ILE 52 HG21 ILE 52 10.394 -0.710 -6.506 382 HG22 ILE 52 HG22 ILE 52 9.616 -0.375 -4.959 383 HG23 ILE 52 HG23 ILE 52 8.702 -0.214 -6.462 384 HD11 ILE 52 HD11 ILE 52 11.624 -1.858 -6.055 385 HD12 ILE 52 HD12 ILE 52 11.408 -3.515 -6.665 386 HD13 ILE 52 HD13 ILE 52 12.202 -3.242 -5.115 387 H GLU 53 HN GLU 53 6.377 -2.389 -7.368 388 HA GLU 53 HA GLU 53 4.549 -4.377 -7.000 389 HB2 GLU 53 HB2 GLU 53 4.499 -2.886 -8.894 390 HB3 GLU 53 HB1 GLU 53 5.960 -3.598 -9.557 391 HG2 GLU 53 HG2 GLU 53 4.835 -5.673 -9.954 392 HG3 GLU 53 HG1 GLU 53 3.388 -5.085 -9.119 393 H LYS 54 HN LYS 54 7.895 -4.676 -7.885 394 HA LYS 54 HA LYS 54 8.311 -7.269 -8.544 395 HB2 LYS 54 HB2 LYS 54 9.810 -5.422 -6.684 396 HB3 LYS 54 HB1 LYS 54 10.416 -7.023 -7.027 397 HG2 LYS 54 HG2 LYS 54 10.361 -6.421 -9.466 398 HG3 LYS 54 HG1 LYS 54 9.998 -4.770 -8.964 399 HD2 LYS 54 HD2 LYS 54 12.355 -4.923 -9.351 400 HD3 LYS 54 HD1 LYS 54 12.096 -4.793 -7.612 401 HE2 LYS 54 HE2 LYS 54 12.322 -7.496 -8.865 402 HE3 LYS 54 HE1 LYS 54 13.781 -6.548 -8.595 403 HZ1 LYS 54 HZ1 LYS 54 13.243 -6.433 -6.251 404 HZ2 LYS 54 HZ2 LYS 54 13.325 -8.044 -6.752 405 HZ3 LYS 54 HZ3 LYS 54 11.819 -7.314 -6.495 406 H GLU 55 HN GLU 55 7.645 -6.002 -5.336 407 HA GLU 55 HA GLU 55 8.389 -8.519 -4.086 408 HB2 GLU 55 HB2 GLU 55 7.711 -5.824 -2.918 409 HB3 GLU 55 HB1 GLU 55 8.396 -7.171 -2.031 410 HG2 GLU 55 HG2 GLU 55 9.680 -5.684 -4.318 411 HG3 GLU 55 HG1 GLU 55 10.116 -5.547 -2.613 412 H LEU 56 HN LEU 56 5.544 -6.906 -5.033 413 HA LEU 56 HA LEU 56 3.879 -8.110 -3.008 414 HB2 LEU 56 HB2 LEU 56 3.287 -6.492 -5.470 415 HB3 LEU 56 HB1 LEU 56 2.034 -7.226 -4.505 416 HG LEU 56 HG LEU 56 2.850 -5.871 -2.528 417 HD11 LEU 56 HD11 LEU 56 4.267 -3.956 -3.076 418 HD12 LEU 56 HD12 LEU 56 4.440 -4.532 -4.735 419 HD13 LEU 56 HD13 LEU 56 5.107 -5.471 -3.400 420 HD21 LEU 56 HD21 LEU 56 0.919 -5.163 -3.794 421 HD22 LEU 56 HD22 LEU 56 1.942 -4.462 -5.054 422 HD23 LEU 56 HD23 LEU 56 1.916 -3.749 -3.435 423 H ASP 57 HN ASP 57 1.925 -9.261 -3.809 424 HA ASP 57 HA ASP 57 2.414 -10.865 -6.218 425 HB2 ASP 57 HB2 ASP 57 2.892 -12.184 -4.100 426 HB3 ASP 57 HB1 ASP 57 1.187 -11.998 -3.698 427 H PHE 58 HN PHE 58 0.806 -10.524 -7.596 428 HA PHE 58 HA PHE 58 -1.621 -9.257 -6.616 429 HB2 PHE 58 HB2 PHE 58 -0.389 -9.656 -9.305 430 HB3 PHE 58 HB1 PHE 58 -2.106 -9.284 -9.186 431 HD1 PHE 58 HD1 PHE 58 1.267 -8.049 -8.264 432 HD2 PHE 58 HD2 PHE 58 -2.854 -7.130 -8.768 433 HE1 PHE 58 HE1 PHE 58 1.789 -5.657 -8.048 434 HE2 PHE 58 HE2 PHE 58 -2.338 -4.726 -8.567 435 HZ PHE 58 HZ PHE 58 -0.016 -3.991 -8.203 436 H SER 59 HN SER 59 -0.670 -12.348 -6.819 437 HA SER 59 HA SER 59 -3.309 -13.356 -7.551 438 HB2 SER 59 HB2 SER 59 -1.771 -15.466 -6.502 439 HB3 SER 59 HB1 SER 59 -2.127 -15.156 -8.199 440 HG SER 59 HG SER 59 0.114 -14.258 -6.692 441 H LYS 60 HN LYS 60 -1.718 -12.004 -5.037 442 HA LYS 60 HA LYS 60 -3.499 -13.165 -3.017 443 HB2 LYS 60 HB2 LYS 60 -0.881 -11.791 -2.923 444 HB3 LYS 60 HB1 LYS 60 -2.043 -11.265 -1.741 445 HG2 LYS 60 HG2 LYS 60 -0.840 -12.884 -0.620 446 HG3 LYS 60 HG1 LYS 60 -2.293 -13.733 -1.133 447 HD2 LYS 60 HD2 LYS 60 0.191 -13.776 -2.807 448 HD3 LYS 60 HD1 LYS 60 0.005 -14.872 -1.440 449 HE2 LYS 60 HE2 LYS 60 -1.885 -15.906 -2.411 450 HE3 LYS 60 HE1 LYS 60 -2.037 -14.645 -3.634 451 HZ1 LYS 60 HZ1 LYS 60 0.035 -15.367 -4.609 452 HZ2 LYS 60 HZ2 LYS 60 -1.056 -16.669 -4.536 453 HZ3 LYS 60 HZ3 LYS 60 0.220 -16.564 -3.419 454 H SER 61 HN SER 61 -5.328 -12.050 -2.585 455 HA SER 61 HA SER 61 -5.512 -9.306 -3.499 456 HB2 SER 61 HB2 SER 61 -7.610 -10.809 -1.937 457 HB3 SER 61 HB1 SER 61 -7.809 -9.397 -2.979 458 HG SER 61 HG SER 61 -7.607 -12.080 -3.642 459 H GLY 62 HN GLY 62 -5.223 -7.604 -2.238 460 HA2 GLY 62 HA2 GLY 62 -4.173 -8.204 0.430 461 HA3 GLY 62 HA1 GLY 62 -3.787 -6.797 -0.541 462 H ASP 63 HN ASP 63 -5.628 -8.014 1.986 463 HA ASP 63 HA ASP 63 -7.502 -5.797 2.038 464 HB2 ASP 63 HB2 ASP 63 -6.815 -7.734 4.269 465 HB3 ASP 63 HB1 ASP 63 -8.235 -6.701 4.168 466 H GLY 64 HN GLY 64 -4.668 -5.337 1.822 467 HA2 GLY 64 HA2 GLY 64 -4.063 -4.038 4.409 468 HA3 GLY 64 HA1 GLY 64 -2.831 -4.796 3.412 469 H CYS 65 HN CYS 65 -5.288 -3.149 1.732 470 HA CYS 65 HA CYS 65 -3.486 -0.898 1.131 471 HB2 CYS 65 HB2 CYS 65 -6.204 -1.305 -0.097 472 HB3 CYS 65 HB1 CYS 65 -4.756 -0.603 -0.817 473 HG CYS 65 HG CYS 65 -5.575 -3.888 -0.459 474 H VAL 66 HN VAL 66 -5.096 1.174 0.743 475 HA VAL 66 HA VAL 66 -7.040 1.208 2.927 476 HB VAL 66 HB VAL 66 -5.423 2.462 4.010 477 HG11 VAL 66 HG11 VAL 66 -3.957 4.085 2.946 478 HG12 VAL 66 HG12 VAL 66 -4.732 3.768 1.388 479 HG13 VAL 66 HG13 VAL 66 -3.812 2.492 2.197 480 HG21 VAL 66 HG21 VAL 66 -6.319 4.553 4.266 481 HG22 VAL 66 HG22 VAL 66 -7.651 3.728 3.427 482 HG23 VAL 66 HG23 VAL 66 -6.550 4.780 2.528 483 H ASP 67 HN ASP 67 -8.758 2.514 2.615 484 HA ASP 67 HA ASP 67 -9.553 2.704 -0.151 485 HB2 ASP 67 HB2 ASP 67 -10.831 1.823 1.962 486 HB3 ASP 67 HB1 ASP 67 -11.231 3.520 2.187 487 H ASP 68 HN ASP 68 -11.422 4.948 0.299 488 HA ASP 68 HA ASP 68 -9.649 7.128 -0.159 489 HB2 ASP 68 HB2 ASP 68 -11.674 8.600 0.100 490 HB3 ASP 68 HB1 ASP 68 -11.811 7.362 -1.132 491 H CYS 69 HN CYS 69 -11.563 6.178 2.666 492 HA CYS 69 HA CYS 69 -10.081 8.089 4.317 493 HB2 CYS 69 HB2 CYS 69 -12.551 7.669 4.648 494 HB3 CYS 69 HB1 CYS 69 -12.136 6.039 5.167 495 HG CYS 69 HG CYS 69 -12.199 6.807 7.618 496 H GLY 70 HN GLY 70 -9.094 7.134 6.392 497 HA2 GLY 70 HA2 GLY 70 -7.235 5.110 5.539 498 HA3 GLY 70 HA1 GLY 70 -7.252 5.920 7.099 499 H SER 71 HN SER 71 -9.048 3.622 5.187 500 HA SER 71 HA SER 71 -9.134 1.786 7.468 501 HB2 SER 71 HB2 SER 71 -11.364 2.816 7.265 502 HB3 SER 71 HB1 SER 71 -11.418 2.388 5.557 503 HG SER 71 HG SER 71 -12.351 0.648 6.280 504 H MET 72 HN MET 72 -8.276 -0.129 6.887 505 HA MET 72 HA MET 72 -7.094 -0.414 4.414 506 HB2 MET 72 HB2 MET 72 -6.816 -2.856 5.108 507 HB3 MET 72 HB1 MET 72 -6.048 -1.588 6.059 508 HG2 MET 72 HG2 MET 72 -7.485 -1.798 7.784 509 HG3 MET 72 HG1 MET 72 -8.757 -2.456 6.765 510 HE1 MET 72 HE1 MET 72 -5.233 -3.229 8.392 511 HE2 MET 72 HE2 MET 72 -5.056 -3.659 6.691 512 HE3 MET 72 HE3 MET 72 -5.027 -4.918 7.927 513 H THR 73 HN THR 73 -7.785 -0.890 2.516 514 HA THR 73 HA THR 73 -10.373 -2.241 2.228 515 HB THR 73 HB THR 73 -10.146 0.133 1.386 516 HG1 THR 73 HG1 THR 73 -11.507 -0.288 -0.258 517 HG21 THR 73 HG21 THR 73 -9.037 0.481 -0.765 518 HG22 THR 73 HG22 THR 73 -8.461 -1.189 -0.740 519 HG23 THR 73 HG23 THR 73 -7.884 -0.041 0.468 520 H SER 74 HN SER 74 -10.573 -3.729 0.384 521 HA SER 74 HA SER 74 -8.158 -5.319 0.211 522 HB2 SER 74 HB2 SER 74 -9.835 -7.014 -0.739 523 HB3 SER 74 HB1 SER 74 -10.058 -6.519 0.940 524 HG SER 74 HG SER 74 -11.881 -6.466 -0.839 525 H CYS 75 HN CYS 75 -6.878 -5.115 -1.451 526 HA CYS 75 HA CYS 75 -7.922 -5.129 -4.164 527 HB2 CYS 75 HB2 CYS 75 -7.716 -2.736 -3.674 528 HB3 CYS 75 HB1 CYS 75 -6.053 -2.979 -3.168 529 HG CYS 75 HG CYS 75 -5.466 -1.958 -5.501 530 H ARG 76 HN ARG 76 -6.357 -5.856 -5.696 531 HA ARG 76 HA ARG 76 -4.796 -7.899 -4.457 532 HB2 ARG 76 HB2 ARG 76 -5.453 -7.222 -7.285 533 HB3 ARG 76 HB1 ARG 76 -4.189 -8.375 -6.913 534 HG2 ARG 76 HG2 ARG 76 -6.192 -9.587 -7.244 535 HG3 ARG 76 HG1 ARG 76 -5.785 -9.624 -5.533 536 HD2 ARG 76 HD2 ARG 76 -7.984 -9.109 -5.398 537 HD3 ARG 76 HD1 ARG 76 -7.246 -7.518 -5.446 538 HE ARG 76 HE ARG 76 -8.017 -8.553 -8.026 539 HH11 ARG 76 HH11 ARG 76 -8.982 -6.664 -5.240 540 HH12 ARG 76 HH12 ARG 76 -10.176 -5.748 -6.102 541 HH21 ARG 76 HH21 ARG 76 -9.608 -7.363 -9.168 542 HH22 ARG 76 HH22 ARG 76 -10.558 -6.169 -8.319 543 H GLY 77 HN GLY 77 -2.762 -7.865 -3.918 544 HA2 GLY 77 HA2 GLY 77 -0.542 -7.283 -5.226 545 HA3 GLY 77 HA1 GLY 77 -1.056 -5.673 -4.779 546 H SER 78 HN SER 78 -0.208 -8.818 -3.440 547 HA SER 78 HA SER 78 0.595 -7.393 -1.020 548 HB2 SER 78 HB2 SER 78 -1.579 -9.389 -1.256 549 HB3 SER 78 HB1 SER 78 -0.555 -9.496 0.166 550 HG SER 78 HG SER 78 -1.374 -7.700 0.916 551 H VAL 79 HN VAL 79 1.958 -8.312 0.309 552 HA VAL 79 HA VAL 79 4.049 -9.708 -0.859 553 HB VAL 79 HB VAL 79 3.416 -9.057 1.998 554 HG11 VAL 79 HG11 VAL 79 6.172 -9.717 1.008 555 HG12 VAL 79 HG12 VAL 79 5.088 -10.984 1.601 556 HG13 VAL 79 HG13 VAL 79 5.563 -9.663 2.670 557 HG21 VAL 79 HG21 VAL 79 5.272 -7.731 0.022 558 HG22 VAL 79 HG22 VAL 79 4.949 -7.208 1.677 559 HG23 VAL 79 HG23 VAL 79 3.664 -7.154 0.470 560 H SER 80 HN SER 80 3.788 -11.769 -1.523 561 HA SER 80 HA SER 80 2.274 -13.687 -0.013 562 HB2 SER 80 HB2 SER 80 3.147 -15.260 -1.819 563 HB3 SER 80 HB1 SER 80 2.133 -13.923 -2.359 564 HG SER 80 HG SER 80 4.469 -14.504 -3.273 565 H GLY 81 HN GLY 81 5.641 -13.699 -1.179 566 HA2 GLY 81 HA2 GLY 81 6.417 -15.327 1.130 567 HA3 GLY 81 HA1 GLY 81 7.421 -14.989 -0.280 568 HA PRO 82 HA PRO 82 9.009 -12.066 2.865 569 HB2 PRO 82 HB2 PRO 82 11.572 -12.535 2.285 570 HB3 PRO 82 HB1 PRO 82 10.676 -13.507 3.454 571 HG2 PRO 82 HG2 PRO 82 11.212 -14.094 0.552 572 HG3 PRO 82 HG1 PRO 82 11.420 -15.145 1.963 573 HD2 PRO 82 HD2 PRO 82 9.268 -15.313 0.398 574 HD3 PRO 82 HD1 PRO 82 9.150 -15.525 2.159 575 H SER 83 HN SER 83 8.739 -10.067 2.016 576 HA SER 83 HA SER 83 9.798 -9.432 -0.615 577 HB2 SER 83 HB2 SER 83 8.383 -7.651 1.391 578 HB3 SER 83 HB1 SER 83 8.729 -7.262 -0.285 579 HG SER 83 HG SER 83 7.247 -8.665 -0.972 580 H THR 84 HN THR 84 11.658 -8.336 -0.978 581 HA THR 84 HA THR 84 13.253 -7.658 1.414 582 HB THR 84 HB THR 84 14.403 -7.969 -1.344 583 HG1 THR 84 HG1 THR 84 13.497 -9.962 -1.117 584 HG21 THR 84 HG21 THR 84 16.389 -8.667 -0.011 585 HG22 THR 84 HG22 THR 84 15.464 -8.359 1.462 586 HG23 THR 84 HG23 THR 84 15.846 -7.030 0.365 587 H SER 85 HN SER 85 12.387 -6.594 -1.845 588 HA SER 85 HA SER 85 13.719 -4.064 -1.564 589 HB2 SER 85 HB2 SER 85 11.645 -4.867 -3.641 590 HB3 SER 85 HB1 SER 85 12.849 -3.584 -3.768 591 HG SER 85 HG SER 85 13.306 -6.387 -3.693 592 H HIS 86 HN HIS 86 12.768 -3.183 0.337 593 HA HIS 86 HA HIS 86 10.155 -2.027 -0.040 594 HB2 HIS 86 HB2 HIS 86 9.071 -3.060 1.808 595 HB3 HIS 86 HB1 HIS 86 9.702 -4.353 0.798 596 HD1 HIS 86 HD1 HIS 86 11.224 -6.021 1.928 597 HD2 HIS 86 HD2 HIS 86 10.594 -2.633 4.246 598 HE1 HIS 86 HE1 HIS 86 12.260 -6.528 4.157 599 HE2 HIS 86 HE2 HIS 86 12.106 -4.364 5.434 600 H LEU 87 HN LEU 87 9.478 -0.711 1.809 601 HA LEU 87 HA LEU 87 11.675 0.217 3.527 602 HB2 LEU 87 HB2 LEU 87 9.846 1.857 1.802 603 HB3 LEU 87 HB1 LEU 87 10.632 2.559 3.207 604 HG LEU 87 HG LEU 87 12.705 1.326 1.782 605 HD11 LEU 87 HD11 LEU 87 12.520 2.170 -0.487 606 HD12 LEU 87 HD12 LEU 87 10.880 2.725 -0.151 607 HD13 LEU 87 HD13 LEU 87 11.248 1.000 -0.130 608 HD21 LEU 87 HD21 LEU 87 13.291 3.702 1.166 609 HD22 LEU 87 HD22 LEU 87 13.036 3.382 2.882 610 HD23 LEU 87 HD23 LEU 87 11.777 4.174 1.938 611 H THR 88 HN THR 88 11.009 -0.146 5.582 612 HA THR 88 HA THR 88 8.151 -0.127 6.148 613 HB THR 88 HB THR 88 10.302 -0.545 8.195 614 HG1 THR 88 HG1 THR 88 10.787 -2.285 7.046 615 HG21 THR 88 HG21 THR 88 7.427 -1.364 8.016 616 HG22 THR 88 HG22 THR 88 8.124 -0.165 9.109 617 HG23 THR 88 HG23 THR 88 8.533 -1.877 9.289 618 H ARG 89 HN ARG 89 7.749 2.066 5.818 619 HA ARG 89 HA ARG 89 8.345 3.539 8.250 620 HB2 ARG 89 HB2 ARG 89 7.817 5.602 6.651 621 HB3 ARG 89 HB1 ARG 89 9.440 4.961 6.862 622 HG2 ARG 89 HG2 ARG 89 9.011 5.246 4.561 623 HG3 ARG 89 HG1 ARG 89 9.006 3.513 4.930 624 HD2 ARG 89 HD2 ARG 89 6.759 3.346 4.818 625 HD3 ARG 89 HD1 ARG 89 6.486 5.047 5.105 626 HE ARG 89 HE ARG 89 7.409 3.981 2.532 627 HH11 ARG 89 HH11 ARG 89 5.539 6.168 4.491 628 HH12 ARG 89 HH12 ARG 89 4.535 6.715 3.191 629 HH21 ARG 89 HH21 ARG 89 6.063 4.651 0.799 630 HH22 ARG 89 HH22 ARG 89 4.832 5.836 1.075 631 HA PRO 90 HA PRO 90 3.833 2.478 7.649 632 HB2 PRO 90 HB2 PRO 90 3.939 1.706 10.452 633 HB3 PRO 90 HB1 PRO 90 3.449 0.759 9.062 634 HG2 PRO 90 HG2 PRO 90 5.769 0.271 10.392 635 HG3 PRO 90 HG1 PRO 90 5.551 -0.029 8.664 636 HD2 PRO 90 HD2 PRO 90 6.957 2.197 10.027 637 HD3 PRO 90 HD1 PRO 90 7.354 1.360 8.529 638 H SER 91 HN SER 91 5.593 4.243 10.023 639 HA SER 91 HA SER 91 3.577 5.833 11.125 640 HB2 SER 91 HB2 SER 91 5.593 7.517 11.204 641 HB3 SER 91 HB1 SER 91 5.662 6.033 12.164 642 HG SER 91 HG SER 91 7.244 6.858 10.115 643 H GLU 92 HN GLU 92 5.320 5.985 8.089 644 HA GLU 92 HA GLU 92 4.425 8.703 7.616 645 HB2 GLU 92 HB2 GLU 92 6.806 7.746 7.303 646 HB3 GLU 92 HB1 GLU 92 6.198 7.143 5.763 647 HG2 GLU 92 HG2 GLU 92 7.274 9.244 5.414 648 HG3 GLU 92 HG1 GLU 92 5.543 9.456 5.169 649 H LEU 93 HN LEU 93 3.622 5.475 6.530 650 HA LEU 93 HA LEU 93 2.101 6.376 4.253 651 HB2 LEU 93 HB2 LEU 93 2.040 3.856 5.881 652 HB3 LEU 93 HB1 LEU 93 0.782 4.195 4.720 653 HG LEU 93 HG LEU 93 2.196 2.771 3.592 654 HD11 LEU 93 HD11 LEU 93 1.702 4.689 2.218 655 HD12 LEU 93 HD12 LEU 93 3.318 4.079 1.852 656 HD13 LEU 93 HD13 LEU 93 3.124 5.531 2.835 657 HD21 LEU 93 HD21 LEU 93 4.014 2.760 5.215 658 HD22 LEU 93 HD22 LEU 93 4.573 4.311 4.593 659 HD23 LEU 93 HD23 LEU 93 4.609 2.881 3.559 660 H GLN 94 HN GLN 94 1.326 5.432 7.560 661 HA GLN 94 HA GLN 94 -1.456 5.927 7.409 662 HB2 GLN 94 HB2 GLN 94 0.464 5.059 9.359 663 HB3 GLN 94 HB1 GLN 94 -0.535 6.304 10.072 664 HG2 GLN 94 HG2 GLN 94 -1.539 3.784 8.781 665 HG3 GLN 94 HG1 GLN 94 -1.390 4.063 10.513 666 HE21 GLN 94 HE21 GLN 94 -3.211 4.660 7.664 667 HE22 GLN 94 HE22 GLN 94 -4.556 5.431 8.420 668 H ALA 95 HN ALA 95 1.290 7.885 7.762 669 HA ALA 95 HA ALA 95 0.202 10.208 8.907 670 HB1 ALA 95 HB1 ALA 95 2.166 11.280 8.203 671 HB2 ALA 95 HB2 ALA 95 2.427 10.106 6.915 672 HB3 ALA 95 HB3 ALA 95 2.622 9.617 8.600 673 H VAL 96 HN VAL 96 0.794 9.415 5.441 674 HA VAL 96 HA VAL 96 -0.510 11.818 4.643 675 HB VAL 96 HB VAL 96 0.449 11.495 2.672 676 HG11 VAL 96 HG11 VAL 96 1.313 8.797 3.663 677 HG12 VAL 96 HG12 VAL 96 2.166 10.323 3.901 678 HG13 VAL 96 HG13 VAL 96 1.984 9.658 2.268 679 HG21 VAL 96 HG21 VAL 96 -0.169 9.652 1.173 680 HG22 VAL 96 HG22 VAL 96 -1.581 10.427 1.912 681 HG23 VAL 96 HG23 VAL 96 -1.003 8.865 2.516 682 H ILE 97 HN ILE 97 -1.450 8.555 5.310 683 HA ILE 97 HA ILE 97 -4.004 8.649 4.163 684 HB ILE 97 HB ILE 97 -2.850 7.237 6.525 685 HG12 ILE 97 HG12 ILE 97 -4.238 5.993 4.184 686 HG13 ILE 97 HG11 ILE 97 -2.613 6.644 3.989 687 HG21 ILE 97 HG21 ILE 97 -5.724 7.109 5.663 688 HG22 ILE 97 HG22 ILE 97 -5.120 7.827 7.157 689 HG23 ILE 97 HG23 ILE 97 -4.955 6.090 6.884 690 HD11 ILE 97 HD11 ILE 97 -3.495 4.456 5.840 691 HD12 ILE 97 HD12 ILE 97 -1.894 5.197 5.880 692 HD13 ILE 97 HD13 ILE 97 -2.429 4.327 4.443 693 H ASP 98 HN ASP 98 -2.926 9.383 7.456 694 HA ASP 98 HA ASP 98 -5.213 10.667 8.374 695 HB2 ASP 98 HB2 ASP 98 -3.501 10.101 9.930 696 HB3 ASP 98 HB1 ASP 98 -2.283 11.011 9.042 697 H SER 99 HN SER 99 -2.459 11.960 6.577 698 HA SER 99 HA SER 99 -3.299 14.686 6.796 699 HB2 SER 99 HB2 SER 99 -0.971 14.182 6.643 700 HB3 SER 99 HB1 SER 99 -1.180 13.345 5.105 701 HG SER 99 HG SER 99 -1.045 15.200 4.132 702 H ASP 100 HN ASP 100 -3.032 12.488 3.970 703 HA ASP 100 HA ASP 100 -4.341 14.317 2.234 704 HB2 ASP 100 HB2 ASP 100 -3.031 11.799 2.034 705 HB3 ASP 100 HB1 ASP 100 -4.407 11.858 1.028 706 H LYS 101 HN LYS 101 -5.624 12.168 4.534 707 HA LYS 101 HA LYS 101 -8.009 11.353 3.391 708 HB2 LYS 101 HB2 LYS 101 -6.991 11.803 6.045 709 HB3 LYS 101 HB1 LYS 101 -8.680 12.305 5.939 710 HG2 LYS 101 HG2 LYS 101 -9.404 10.212 5.855 711 HG3 LYS 101 HG1 LYS 101 -8.128 9.692 4.755 712 HD2 LYS 101 HD2 LYS 101 -7.945 8.556 6.904 713 HD3 LYS 101 HD1 LYS 101 -6.578 9.630 6.645 714 HE2 LYS 101 HE2 LYS 101 -7.160 10.086 8.832 715 HE3 LYS 101 HE1 LYS 101 -7.988 11.351 7.926 716 HZ1 LYS 101 HZ1 LYS 101 -9.382 10.319 9.643 717 HZ2 LYS 101 HZ2 LYS 101 -9.268 8.832 8.833 718 HZ3 LYS 101 HZ3 LYS 101 -10.035 10.151 8.088 719 H SER 102 HN SER 102 -6.996 14.561 4.305 720 HA SER 102 HA SER 102 -9.564 15.785 4.192 721 HB2 SER 102 HB2 SER 102 -7.204 16.657 5.092 722 HB3 SER 102 HB1 SER 102 -7.120 17.339 3.468 723 HG SER 102 HG SER 102 -9.133 17.773 5.429 724 H ASN 103 HN ASN 103 -7.367 14.604 1.889 725 HA ASN 103 HA ASN 103 -8.566 16.016 -0.362 726 HB2 ASN 103 HB2 ASN 103 -6.007 15.374 0.007 727 HB3 ASN 103 HB1 ASN 103 -6.543 13.842 -0.663 728 HD21 ASN 103 HD21 ASN 103 -5.182 14.189 -2.467 729 HD22 ASN 103 HD22 ASN 103 -5.653 15.266 -3.737 730 H TYR 104 HN TYR 104 -8.324 12.853 1.115 731 HA TYR 104 HA TYR 104 -10.694 11.981 -0.359 732 HB2 TYR 104 HB2 TYR 104 -8.861 9.763 -0.026 733 HB3 TYR 104 HB1 TYR 104 -9.719 10.286 -1.467 734 HD1 TYR 104 HD2 TYR 104 -6.734 11.076 0.583 735 HD2 TYR 104 HD1 TYR 104 -8.513 11.122 -3.280 736 HE1 TYR 104 HE2 TYR 104 -4.613 11.832 -0.359 737 HE2 TYR 104 HE1 TYR 104 -6.387 11.873 -4.261 738 HH TYR 104 HH TYR 104 -4.352 12.757 -3.758 739 H CYS 105 HN CYS 105 -12.086 11.294 1.105 740 HA CYS 105 HA CYS 105 -11.362 9.333 3.014 741 HB2 CYS 105 HB2 CYS 105 -10.827 10.886 4.585 742 HB3 CYS 105 HB1 CYS 105 -11.776 12.156 3.821 743 HG CYS 105 HG CYS 105 -14.170 11.476 4.949 744 H THR 106 HN THR 106 -13.421 8.614 4.190 745 HA THR 106 HA THR 106 -15.012 7.616 2.196 746 HB THR 106 HB THR 106 -16.625 7.061 4.140 747 HG1 THR 106 HG1 THR 106 -15.798 8.723 5.555 748 HG21 THR 106 HG21 THR 106 -15.049 5.345 4.964 749 HG22 THR 106 HG22 THR 106 -13.753 6.174 4.095 750 HG23 THR 106 HG23 THR 106 -15.100 5.466 3.204 751 H ASP 107 HN ASP 107 -16.169 8.778 0.859 752 HA ASP 107 HA ASP 107 -18.539 10.060 1.968 753 HB2 ASP 107 HB2 ASP 107 -16.884 11.889 1.516 754 HB3 ASP 107 HB1 ASP 107 -16.899 11.416 -0.182 755 H LYS 108 HN LYS 108 -16.814 9.069 -0.974 756 HA LYS 108 HA LYS 108 -19.329 7.848 -1.870 757 HB2 LYS 108 HB2 LYS 108 -18.811 8.421 -4.189 758 HB3 LYS 108 HB1 LYS 108 -18.961 9.863 -3.199 759 HG2 LYS 108 HG2 LYS 108 -17.125 10.399 -4.445 760 HG3 LYS 108 HG1 LYS 108 -16.346 9.654 -3.051 761 HD2 LYS 108 HD2 LYS 108 -15.542 7.938 -4.275 762 HD3 LYS 108 HD1 LYS 108 -17.058 7.757 -5.167 763 HE2 LYS 108 HE2 LYS 108 -16.440 9.725 -6.538 764 HE3 LYS 108 HE1 LYS 108 -14.894 9.794 -5.690 765 HZ1 LYS 108 HZ1 LYS 108 -14.168 7.843 -6.667 766 HZ2 LYS 108 HZ2 LYS 108 -15.023 8.576 -7.933 767 HZ3 LYS 108 HZ3 LYS 108 -15.736 7.317 -7.055 768 H SER 109 HN SER 109 -16.577 7.103 -0.616 769 HA SER 109 HA SER 109 -15.040 5.456 -0.698 770 HB2 SER 109 HB2 SER 109 -17.046 4.154 -2.535 771 HB3 SER 109 HB1 SER 109 -15.631 3.359 -1.847 772 HG SER 109 HG SER 109 -16.545 4.063 0.253 773 H GLU 110 HN GLU 110 -13.875 7.228 -1.790 774 HA GLU 110 HA GLU 110 -13.489 7.044 -4.634 775 HB2 GLU 110 HB2 GLU 110 -13.285 9.194 -3.437 776 HB3 GLU 110 HB1 GLU 110 -11.911 8.566 -2.541 777 HG2 GLU 110 HG2 GLU 110 -11.150 10.001 -4.314 778 HG3 GLU 110 HG1 GLU 110 -10.660 8.341 -4.644 779 H GLN 111 HN GLN 111 -12.956 4.793 -4.687 780 HA GLN 111 HA GLN 111 -10.101 4.330 -4.275 781 HB2 GLN 111 HB2 GLN 111 -10.753 1.942 -3.549 782 HB3 GLN 111 HB1 GLN 111 -10.897 3.232 -2.366 783 HG2 GLN 111 HG2 GLN 111 -12.825 1.928 -2.121 784 HG3 GLN 111 HG1 GLN 111 -13.338 3.369 -2.993 785 HE21 GLN 111 HE21 GLN 111 -15.119 2.434 -3.894 786 HE22 GLN 111 HE22 GLN 111 -15.040 1.216 -5.117 787 H GLN 112 HN GLN 112 -9.395 2.308 -5.459 788 HA GLN 112 HA GLN 112 -10.973 1.242 -7.539 789 HB2 GLN 112 HB2 GLN 112 -9.792 2.281 -9.469 790 HB3 GLN 112 HB1 GLN 112 -10.784 3.421 -8.573 791 HG2 GLN 112 HG2 GLN 112 -8.781 4.261 -7.437 792 HG3 GLN 112 HG1 GLN 112 -7.797 3.128 -8.363 793 HE21 GLN 112 HE21 GLN 112 -9.383 3.479 -10.785 794 HE22 GLN 112 HE22 GLN 112 -8.953 5.032 -11.421 795 HA PRO 113 HA PRO 113 -7.425 -1.450 -7.289 796 HB2 PRO 113 HB2 PRO 113 -8.268 -3.379 -8.929 797 HB3 PRO 113 HB1 PRO 113 -9.064 -3.095 -7.376 798 HG2 PRO 113 HG2 PRO 113 -9.921 -2.280 -10.122 799 HG3 PRO 113 HG1 PRO 113 -10.899 -2.900 -8.779 800 HD2 PRO 113 HD2 PRO 113 -10.645 -0.222 -9.456 801 HD3 PRO 113 HD1 PRO 113 -11.152 -0.826 -7.867 802 H SER 114 HN SER 114 -7.955 0.704 -9.565 803 HA SER 114 HA SER 114 -6.616 -0.378 -11.849 804 HB2 SER 114 HB2 SER 114 -7.095 2.547 -11.289 805 HB3 SER 114 HB1 SER 114 -7.008 1.732 -12.851 806 HG SER 114 HG SER 114 -9.087 1.512 -12.705 807 H GLN 115 HN GLN 115 -4.844 -0.967 -10.069 808 HA GLN 115 HA GLN 115 -2.937 1.142 -9.551 809 HB2 GLN 115 HB2 GLN 115 -2.805 -1.841 -9.085 810 HB3 GLN 115 HB1 GLN 115 -1.582 -0.694 -8.559 811 HG2 GLN 115 HG2 GLN 115 -3.091 0.343 -7.044 812 HG3 GLN 115 HG1 GLN 115 -4.457 -0.566 -7.695 813 HE21 GLN 115 HE21 GLN 115 -2.915 -3.022 -7.920 814 HE22 GLN 115 HE22 GLN 115 -2.772 -3.646 -6.312 815 H ALA 116 HN ALA 116 -3.061 1.358 -12.092 816 HA ALA 116 HA ALA 116 -1.469 -0.484 -13.593 817 HB1 ALA 116 HB1 ALA 116 -3.267 0.809 -14.638 818 HB2 ALA 116 HB2 ALA 116 -1.717 1.107 -15.424 819 HB3 ALA 116 HB3 ALA 116 -2.386 2.300 -14.311 820 H THR 117 HN THR 117 -0.984 2.945 -12.735 821 HA THR 117 HA THR 117 1.796 2.510 -12.140 822 HB THR 117 HB THR 117 1.156 4.273 -14.518 823 HG1 THR 117 HG1 THR 117 1.638 1.570 -14.382 824 HG21 THR 117 HG21 THR 117 3.122 4.958 -13.244 825 HG22 THR 117 HG22 THR 117 3.585 4.321 -14.821 826 HG23 THR 117 HG23 THR 117 3.788 3.330 -13.376 827 HA PRO 118 HA PRO 118 0.799 6.299 -9.840 828 HB2 PRO 118 HB2 PRO 118 3.661 6.110 -9.147 829 HB3 PRO 118 HB1 PRO 118 2.255 6.181 -8.080 830 HG2 PRO 118 HG2 PRO 118 3.671 3.926 -8.382 831 HG3 PRO 118 HG1 PRO 118 1.911 3.899 -8.158 832 HD2 PRO 118 HD2 PRO 118 3.508 3.587 -10.677 833 HD3 PRO 118 HD1 PRO 118 2.066 2.698 -10.142 834 HA PRO 119 HA PRO 119 2.351 8.289 -13.531 835 HB2 PRO 119 HB2 PRO 119 0.706 10.575 -12.747 836 HB3 PRO 119 HB1 PRO 119 0.543 9.507 -14.143 837 HG2 PRO 119 HG2 PRO 119 -1.209 9.480 -12.094 838 HG3 PRO 119 HG1 PRO 119 -0.801 8.022 -13.016 839 HD2 PRO 119 HD2 PRO 119 0.205 8.913 -10.335 840 HD3 PRO 119 HD1 PRO 119 -0.293 7.292 -10.869 841 HA PRO 120 HA PRO 120 5.462 11.079 -11.808 842 HB2 PRO 120 HB2 PRO 120 6.286 11.188 -14.632 843 HB3 PRO 120 HB1 PRO 120 7.215 10.687 -13.217 844 HG2 PRO 120 HG2 PRO 120 6.391 8.918 -15.063 845 HG3 PRO 120 HG1 PRO 120 6.480 8.501 -13.342 846 HD2 PRO 120 HD2 PRO 120 4.091 9.240 -14.990 847 HD3 PRO 120 HD1 PRO 120 4.259 7.973 -13.755 848 H GLU 121 HN GLU 121 3.206 11.371 -14.395 849 HA GLU 121 HA GLU 121 3.444 14.200 -14.799 850 HB2 GLU 121 HB2 GLU 121 1.060 12.452 -15.421 851 HB3 GLU 121 HB1 GLU 121 1.498 13.973 -16.181 852 HG2 GLU 121 HG2 GLU 121 3.436 12.925 -17.201 853 HG3 GLU 121 HG1 GLU 121 3.043 11.401 -16.407 854 H ILE 122 HN ILE 122 3.425 14.650 -12.448 855 HA ILE 122 HA ILE 122 1.250 14.085 -10.783 856 HB ILE 122 HB ILE 122 2.115 15.975 -9.370 857 HG12 ILE 122 HG12 ILE 122 4.233 16.126 -11.531 858 HG13 ILE 122 HG11 ILE 122 3.005 17.351 -11.231 859 HG21 ILE 122 HG21 ILE 122 4.184 14.814 -8.779 860 HG22 ILE 122 HG22 ILE 122 4.111 13.917 -10.295 861 HG23 ILE 122 HG23 ILE 122 2.863 13.683 -9.071 862 HD11 ILE 122 HD11 ILE 122 5.191 16.524 -9.337 863 HD12 ILE 122 HD12 ILE 122 3.943 17.724 -9.000 864 HD13 ILE 122 HD13 ILE 122 5.123 18.014 -10.279 865 HA PRO 123 HA PRO 123 -1.627 17.253 -12.216 866 HB2 PRO 123 HB2 PRO 123 -3.581 15.918 -10.567 867 HB3 PRO 123 HB1 PRO 123 -3.513 15.995 -12.328 868 HG2 PRO 123 HG2 PRO 123 -3.125 13.702 -10.877 869 HG3 PRO 123 HG1 PRO 123 -2.460 13.977 -12.497 870 HD2 PRO 123 HD2 PRO 123 -1.123 14.218 -9.828 871 HD3 PRO 123 HD1 PRO 123 -0.487 13.564 -11.354 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 -1.986 11.296 -8.328 2 H2 ALA 1 HT2 ALA 1 -0.739 10.816 -7.287 3 H3 ALA 1 HT3 ALA 1 -1.839 12.015 -6.805 4 HA ALA 1 HA ALA 1 -2.511 9.187 -7.361 5 HB1 ALA 1 HB1 ALA 1 -1.137 9.617 -5.301 6 HB2 ALA 1 HB2 ALA 1 -2.689 8.815 -5.060 7 HB3 ALA 1 HB3 ALA 1 -2.512 10.533 -4.674 8 HA PRO 2 HA PRO 2 -6.634 10.806 -7.649 9 HB2 PRO 2 HB2 PRO 2 -7.499 8.087 -7.804 10 HB3 PRO 2 HB1 PRO 2 -7.405 9.287 -9.077 11 HG2 PRO 2 HG2 PRO 2 -5.811 7.082 -9.004 12 HG3 PRO 2 HG1 PRO 2 -5.305 8.617 -9.737 13 HD2 PRO 2 HD2 PRO 2 -4.673 7.546 -7.006 14 HD3 PRO 2 HD1 PRO 2 -3.603 8.325 -8.188 15 H THR 3 HN THR 3 -5.737 8.149 -5.552 16 HA THR 3 HA THR 3 -7.888 8.930 -3.734 17 HB THR 3 HB THR 3 -8.358 6.593 -3.214 18 HG1 THR 3 HG1 THR 3 -7.134 5.026 -3.958 19 HG21 THR 3 HG21 THR 3 -9.733 7.643 -4.907 20 HG22 THR 3 HG22 THR 3 -9.439 5.964 -5.366 21 HG23 THR 3 HG23 THR 3 -8.545 7.269 -6.158 22 H LEU 4 HN LEU 4 -7.502 7.623 -1.540 23 HA LEU 4 HA LEU 4 -5.142 8.834 -0.601 24 HB2 LEU 4 HB2 LEU 4 -7.130 8.708 0.765 25 HB3 LEU 4 HB1 LEU 4 -7.045 6.955 0.770 26 HG LEU 4 HG LEU 4 -4.817 7.183 1.955 27 HD11 LEU 4 HD11 LEU 4 -4.366 9.485 1.300 28 HD12 LEU 4 HD12 LEU 4 -4.429 9.346 3.063 29 HD13 LEU 4 HD13 LEU 4 -5.800 10.022 2.182 30 HD21 LEU 4 HD21 LEU 4 -5.851 7.648 4.130 31 HD22 LEU 4 HD22 LEU 4 -6.837 6.563 3.151 32 HD23 LEU 4 HD23 LEU 4 -7.286 8.261 3.309 33 H GLN 5 HN GLN 5 -5.943 5.526 -1.421 34 HA GLN 5 HA GLN 5 -3.644 4.243 -0.402 35 HB2 GLN 5 HB2 GLN 5 -5.569 3.005 -1.034 36 HB3 GLN 5 HB1 GLN 5 -5.474 3.590 -2.685 37 HG2 GLN 5 HG2 GLN 5 -4.745 1.282 -2.426 38 HG3 GLN 5 HG1 GLN 5 -3.493 2.312 -3.087 39 HE21 GLN 5 HE21 GLN 5 -1.577 2.432 -2.045 40 HE22 GLN 5 HE22 GLN 5 -1.230 1.585 -0.581 41 H GLU 6 HN GLU 6 -4.244 5.677 -3.647 42 HA GLU 6 HA GLU 6 -1.615 4.964 -4.511 43 HB2 GLU 6 HB2 GLU 6 -3.407 5.365 -6.164 44 HB3 GLU 6 HB1 GLU 6 -3.420 7.062 -5.718 45 HG2 GLU 6 HG2 GLU 6 -1.245 7.384 -6.538 46 HG3 GLU 6 HG1 GLU 6 -0.980 5.674 -6.717 47 H ALA 7 HN ALA 7 -2.947 7.569 -2.688 48 HA ALA 7 HA ALA 7 -0.773 9.378 -2.938 49 HB1 ALA 7 HB1 ALA 7 -2.910 10.066 -2.017 50 HB2 ALA 7 HB2 ALA 7 -1.615 10.341 -0.848 51 HB3 ALA 7 HB3 ALA 7 -2.703 8.960 -0.653 52 H LEU 8 HN LEU 8 -1.375 6.509 -1.078 53 HA LEU 8 HA LEU 8 0.950 6.705 0.540 54 HB2 LEU 8 HB2 LEU 8 -0.753 4.398 -0.262 55 HB3 LEU 8 HB1 LEU 8 0.613 4.248 0.819 56 HG LEU 8 HG LEU 8 -1.994 5.621 1.278 57 HD11 LEU 8 HD11 LEU 8 -1.732 3.254 1.813 58 HD12 LEU 8 HD12 LEU 8 -1.969 4.237 3.258 59 HD13 LEU 8 HD13 LEU 8 -0.355 3.648 2.851 60 HD21 LEU 8 HD21 LEU 8 -0.425 7.265 1.965 61 HD22 LEU 8 HD22 LEU 8 0.594 6.049 2.735 62 HD23 LEU 8 HD23 LEU 8 -0.985 6.429 3.416 63 H ASP 9 HN ASP 9 0.143 4.986 -2.432 64 HA ASP 9 HA ASP 9 2.624 3.847 -2.991 65 HB2 ASP 9 HB2 ASP 9 0.595 4.969 -4.961 66 HB3 ASP 9 HB1 ASP 9 1.879 3.828 -5.351 67 H ARG 10 HN ARG 10 1.471 7.053 -3.156 68 HA ARG 10 HA ARG 10 3.474 8.146 -4.894 69 HB2 ARG 10 HB2 ARG 10 1.059 8.883 -4.504 70 HB3 ARG 10 HB1 ARG 10 1.602 9.547 -2.976 71 HG2 ARG 10 HG2 ARG 10 2.814 11.223 -4.007 72 HG3 ARG 10 HG1 ARG 10 2.845 10.380 -5.566 73 HD2 ARG 10 HD2 ARG 10 0.441 10.651 -5.755 74 HD3 ARG 10 HD1 ARG 10 0.386 11.444 -4.190 75 HE ARG 10 HE ARG 10 1.788 12.604 -6.522 76 HH11 ARG 10 HH11 ARG 10 -0.214 12.888 -3.659 77 HH12 ARG 10 HH12 ARG 10 -0.554 14.574 -3.899 78 HH21 ARG 10 HH21 ARG 10 1.380 14.851 -6.825 79 HH22 ARG 10 HH22 ARG 10 0.389 15.704 -5.674 80 H LYS 11 HN LYS 11 2.892 7.837 -1.443 81 HA LYS 11 HA LYS 11 5.191 9.330 -0.615 82 HB2 LYS 11 HB2 LYS 11 3.131 8.848 0.776 83 HB3 LYS 11 HB1 LYS 11 3.753 7.223 0.950 84 HG2 LYS 11 HG2 LYS 11 4.281 8.745 2.841 85 HG3 LYS 11 HG1 LYS 11 5.671 7.964 2.097 86 HD2 LYS 11 HD2 LYS 11 6.152 10.278 2.503 87 HD3 LYS 11 HD1 LYS 11 6.094 9.967 0.771 88 HE2 LYS 11 HE2 LYS 11 3.897 10.884 0.621 89 HE3 LYS 11 HE1 LYS 11 3.805 11.055 2.364 90 HZ1 LYS 11 HZ1 LYS 11 5.665 12.652 2.231 91 HZ2 LYS 11 HZ2 LYS 11 4.287 13.175 1.400 92 HZ3 LYS 11 HZ3 LYS 11 5.603 12.551 0.536 93 H CYS 12 HN CYS 12 4.326 6.006 -1.172 94 HA CYS 12 HA CYS 12 6.734 4.717 -0.577 95 HB2 CYS 12 HB2 CYS 12 4.501 4.101 -2.500 96 HB3 CYS 12 HB1 CYS 12 5.800 2.981 -2.157 97 HG CYS 12 HG CYS 12 3.240 3.939 -0.186 98 H ALA 13 HN ALA 13 5.666 6.436 -3.426 99 HA ALA 13 HA ALA 13 7.819 5.587 -5.105 100 HB1 ALA 13 HB1 ALA 13 5.814 7.847 -5.254 101 HB2 ALA 13 HB2 ALA 13 5.847 6.341 -6.180 102 HB3 ALA 13 HB3 ALA 13 7.059 7.585 -6.482 103 H GLN 14 HN GLN 14 7.441 7.867 -2.598 104 HA GLN 14 HA GLN 14 9.677 9.500 -3.293 105 HB2 GLN 14 HB2 GLN 14 8.037 9.197 -0.801 106 HB3 GLN 14 HB1 GLN 14 9.426 10.279 -0.899 107 HG2 GLN 14 HG2 GLN 14 8.322 11.373 -2.835 108 HG3 GLN 14 HG1 GLN 14 6.905 10.387 -2.511 109 HE21 GLN 14 HE21 GLN 14 8.998 11.697 -0.039 110 HE22 GLN 14 HE22 GLN 14 7.861 12.840 0.603 111 H PHE 15 HN PHE 15 9.056 7.134 -0.752 112 HA PHE 15 HA PHE 15 11.738 7.052 0.179 113 HB2 PHE 15 HB2 PHE 15 9.573 4.989 0.595 114 HB3 PHE 15 HB1 PHE 15 11.014 5.216 1.580 115 HD1 PHE 15 HD2 PHE 15 11.127 8.036 2.050 116 HD2 PHE 15 HD1 PHE 15 7.753 5.467 1.844 117 HE1 PHE 15 HE2 PHE 15 9.863 9.586 3.480 118 HE2 PHE 15 HE1 PHE 15 6.482 7.003 3.261 119 HZ PHE 15 HZ PHE 15 7.540 9.061 4.072 120 H GLY 16 HN GLY 16 9.791 4.774 -1.719 121 HA2 GLY 16 HA2 GLY 16 11.583 2.696 -1.986 122 HA3 GLY 16 HA1 GLY 16 10.385 3.147 -3.194 123 H LYS 17 HN LYS 17 11.141 5.390 -4.246 124 HA LYS 17 HA LYS 17 13.341 4.483 -5.828 125 HB2 LYS 17 HB2 LYS 17 11.978 7.126 -6.113 126 HB3 LYS 17 HB1 LYS 17 12.704 6.111 -7.357 127 HG2 LYS 17 HG2 LYS 17 10.236 5.391 -5.807 128 HG3 LYS 17 HG1 LYS 17 10.230 6.166 -7.372 129 HD2 LYS 17 HD2 LYS 17 11.444 4.208 -8.301 130 HD3 LYS 17 HD1 LYS 17 11.312 3.419 -6.721 131 HE2 LYS 17 HE2 LYS 17 9.552 2.675 -8.238 132 HE3 LYS 17 HE1 LYS 17 8.890 3.536 -6.849 133 HZ1 LYS 17 HZ1 LYS 17 9.222 4.598 -9.606 134 HZ2 LYS 17 HZ2 LYS 17 8.743 5.540 -8.285 135 HZ3 LYS 17 HZ3 LYS 17 7.762 4.260 -8.814 136 H GLU 18 HN GLU 18 12.838 6.715 -3.245 137 HA GLU 18 HA GLU 18 15.227 8.170 -3.333 138 HB2 GLU 18 HB2 GLU 18 13.728 8.766 -1.647 139 HB3 GLU 18 HB1 GLU 18 13.537 7.115 -1.079 140 HG2 GLU 18 HG2 GLU 18 15.942 7.255 -0.312 141 HG3 GLU 18 HG1 GLU 18 15.845 8.985 -0.644 142 H SER 19 HN SER 19 14.571 4.936 -2.013 143 HA SER 19 HA SER 19 17.229 4.257 -1.400 144 HB2 SER 19 HB2 SER 19 15.002 2.437 -2.293 145 HB3 SER 19 HB1 SER 19 16.455 1.963 -1.404 146 HG SER 19 HG SER 19 15.463 3.842 0.050 147 H CYS 20 HN CYS 20 15.324 3.931 -4.321 148 HA CYS 20 HA CYS 20 17.227 2.651 -5.916 149 HB2 CYS 20 HB2 CYS 20 15.338 2.694 -7.130 150 HB3 CYS 20 HB1 CYS 20 14.734 4.115 -6.296 151 HG CYS 20 HG CYS 20 17.193 4.728 -8.507 152 H ASN 21 HN ASN 21 16.813 6.033 -5.051 153 HA ASN 21 HA ASN 21 18.837 7.048 -6.769 154 HB2 ASN 21 HB2 ASN 21 17.306 8.114 -4.443 155 HB3 ASN 21 HB1 ASN 21 18.787 8.939 -4.927 156 HD21 ASN 21 HD21 ASN 21 15.535 8.117 -5.841 157 HD22 ASN 21 HD22 ASN 21 15.431 9.208 -7.180 158 H SER 22 HN SER 22 18.801 5.952 -3.404 159 HA SER 22 HA SER 22 21.449 6.549 -2.731 160 HB2 SER 22 HB2 SER 22 19.796 4.192 -1.806 161 HB3 SER 22 HB1 SER 22 21.230 4.836 -1.008 162 HG SER 22 HG SER 22 19.716 5.881 0.054 163 H GLY 23 HN GLY 23 20.103 3.991 -4.687 164 HA2 GLY 23 HA2 GLY 23 21.990 3.314 -6.320 165 HA3 GLY 23 HA1 GLY 23 22.750 2.719 -4.852 166 H LEU 24 HN LEU 24 19.551 2.290 -4.364 167 HA LEU 24 HA LEU 24 19.713 -0.516 -4.659 168 HB2 LEU 24 HB2 LEU 24 17.773 1.430 -3.682 169 HB3 LEU 24 HB1 LEU 24 17.030 0.035 -4.436 170 HG LEU 24 HG LEU 24 17.496 0.011 -1.885 171 HD11 LEU 24 HD11 LEU 24 17.896 -2.405 -1.950 172 HD12 LEU 24 HD12 LEU 24 18.272 -2.280 -3.669 173 HD13 LEU 24 HD13 LEU 24 16.651 -1.893 -3.090 174 HD21 LEU 24 HD21 LEU 24 20.194 -0.728 -2.996 175 HD22 LEU 24 HD22 LEU 24 19.685 -0.928 -1.315 176 HD23 LEU 24 HD23 LEU 24 19.823 0.688 -2.009 177 H ALA 25 HN ALA 25 19.629 -1.597 -6.412 178 HA ALA 25 HA ALA 25 18.755 -0.444 -8.893 179 HB1 ALA 25 HB1 ALA 25 19.509 -2.489 -9.899 180 HB2 ALA 25 HB2 ALA 25 19.592 -3.273 -8.323 181 HB3 ALA 25 HB3 ALA 25 20.692 -1.949 -8.708 182 H SER 26 HN SER 26 17.143 -2.075 -6.434 183 HA SER 26 HA SER 26 15.274 -3.532 -8.001 184 HB2 SER 26 HB2 SER 26 14.010 -3.652 -5.848 185 HB3 SER 26 HB1 SER 26 15.667 -4.248 -5.777 186 HG SER 26 HG SER 26 15.624 -2.948 -4.074 187 H TYR 27 HN TYR 27 14.897 -0.541 -6.070 188 HA TYR 27 HA TYR 27 12.299 -0.017 -7.106 189 HB2 TYR 27 HB2 TYR 27 14.054 2.110 -5.872 190 HB3 TYR 27 HB1 TYR 27 12.303 1.959 -5.846 191 HD1 TYR 27 HD2 TYR 27 11.228 0.212 -4.413 192 HD2 TYR 27 HD1 TYR 27 15.393 1.132 -4.170 193 HE1 TYR 27 HE2 TYR 27 11.341 -0.911 -2.226 194 HE2 TYR 27 HE1 TYR 27 15.508 -0.019 -2.000 195 HH TYR 27 HH TYR 27 13.990 -0.601 -0.148 196 H CYS 28 HN CYS 28 15.405 0.453 -8.383 197 HA CYS 28 HA CYS 28 15.024 2.822 -9.863 198 HB2 CYS 28 HB2 CYS 28 17.235 1.765 -9.440 199 HB3 CYS 28 HB1 CYS 28 16.790 0.465 -10.538 200 HG CYS 28 HG CYS 28 16.577 3.563 -11.830 201 H GLY 29 HN GLY 29 13.443 3.118 -11.295 202 HA2 GLY 29 HA2 GLY 29 12.159 2.809 -13.183 203 HA3 GLY 29 HA1 GLY 29 13.145 1.404 -13.562 204 H ALA 30 HN ALA 30 11.602 1.616 -10.475 205 HA ALA 30 HA ALA 30 9.904 -0.648 -11.246 206 HB1 ALA 30 HB1 ALA 30 9.803 -1.091 -8.803 207 HB2 ALA 30 HB2 ALA 30 10.930 0.245 -8.564 208 HB3 ALA 30 HB3 ALA 30 11.427 -1.174 -9.486 209 H ALA 31 HN ALA 31 7.799 -0.814 -10.350 210 HA ALA 31 HA ALA 31 6.420 1.719 -9.853 211 HB1 ALA 31 HB1 ALA 31 5.526 0.195 -11.569 212 HB2 ALA 31 HB2 ALA 31 4.394 0.470 -10.247 213 HB3 ALA 31 HB3 ALA 31 5.304 -1.043 -10.324 214 H ILE 32 HN ILE 32 6.404 2.249 -7.668 215 HA ILE 32 HA ILE 32 6.373 -0.025 -5.817 216 HB ILE 32 HB ILE 32 8.261 1.581 -5.567 217 HG12 ILE 32 HG12 ILE 32 6.734 1.941 -3.067 218 HG13 ILE 32 HG11 ILE 32 6.852 0.286 -3.635 219 HG21 ILE 32 HG21 ILE 32 7.809 3.762 -4.597 220 HG22 ILE 32 HG22 ILE 32 6.076 3.464 -4.735 221 HG23 ILE 32 HG23 ILE 32 7.070 3.584 -6.190 222 HD11 ILE 32 HD11 ILE 32 9.215 0.322 -3.532 223 HD12 ILE 32 HD12 ILE 32 8.599 1.011 -2.010 224 HD13 ILE 32 HD13 ILE 32 9.219 2.078 -3.270 225 H TYR 33 HN TYR 33 4.981 -0.143 -4.096 226 HA TYR 33 HA TYR 33 2.659 1.654 -4.149 227 HB2 TYR 33 HB2 TYR 33 2.475 -1.360 -4.125 228 HB3 TYR 33 HB1 TYR 33 1.137 -0.223 -4.142 229 HD1 TYR 33 HD1 TYR 33 0.658 1.092 -6.170 230 HD2 TYR 33 HD2 TYR 33 3.602 -1.973 -6.145 231 HE1 TYR 33 HE1 TYR 33 0.600 1.039 -8.618 232 HE2 TYR 33 HE2 TYR 33 3.562 -2.039 -8.602 233 HH TYR 33 HH TYR 33 1.923 0.367 -10.483 234 H ALA 34 HN ALA 34 1.372 1.552 -2.222 235 HA ALA 34 HA ALA 34 2.942 0.849 0.148 236 HB1 ALA 34 HB1 ALA 34 0.221 1.995 0.381 237 HB2 ALA 34 HB2 ALA 34 1.486 3.021 -0.309 238 HB3 ALA 34 HB3 ALA 34 1.684 2.339 1.311 239 H ARG 35 HN ARG 35 2.658 -1.076 1.075 240 HA ARG 35 HA ARG 35 -0.079 -2.090 1.102 241 HB2 ARG 35 HB2 ARG 35 1.761 -3.237 -0.515 242 HB3 ARG 35 HB1 ARG 35 2.020 -4.168 0.952 243 HG2 ARG 35 HG2 ARG 35 0.385 -5.235 -0.520 244 HG3 ARG 35 HG1 ARG 35 -0.336 -4.756 1.019 245 HD2 ARG 35 HD2 ARG 35 -1.787 -4.202 -0.887 246 HD3 ARG 35 HD1 ARG 35 -1.275 -2.761 -0.008 247 HE ARG 35 HE ARG 35 0.499 -3.275 -2.134 248 HH11 ARG 35 HH11 ARG 35 -2.751 -2.119 -1.566 249 HH12 ARG 35 HH12 ARG 35 -2.784 -1.150 -3.003 250 HH21 ARG 35 HH21 ARG 35 0.438 -2.000 -4.026 251 HH22 ARG 35 HH22 ARG 35 -0.977 -1.061 -4.388 252 H TYR 36 HN TYR 36 -0.737 -2.180 3.064 253 HA TYR 36 HA TYR 36 0.995 -2.345 5.347 254 HB2 TYR 36 HB2 TYR 36 -1.295 -1.230 5.261 255 HB3 TYR 36 HB1 TYR 36 -1.995 -2.846 5.225 256 HD1 TYR 36 HD1 TYR 36 0.203 -0.634 7.268 257 HD2 TYR 36 HD2 TYR 36 -2.410 -3.978 7.168 258 HE1 TYR 36 HE1 TYR 36 0.226 -0.719 9.716 259 HE2 TYR 36 HE2 TYR 36 -2.408 -4.092 9.601 260 HH TYR 36 HH TYR 36 -0.996 -3.400 11.478 261 H ASP 37 HN ASP 37 2.160 -4.270 4.816 262 HA ASP 37 HA ASP 37 0.799 -6.747 5.449 263 HB2 ASP 37 HB2 ASP 37 0.996 -6.167 2.750 264 HB3 ASP 37 HB1 ASP 37 2.483 -7.061 3.056 265 H LYS 38 HN LYS 38 2.721 -8.562 4.866 266 HA LYS 38 HA LYS 38 4.788 -7.937 6.763 267 HB2 LYS 38 HB2 LYS 38 4.668 -10.227 4.807 268 HB3 LYS 38 HB1 LYS 38 5.641 -10.155 6.263 269 HG2 LYS 38 HG2 LYS 38 3.732 -10.384 7.648 270 HG3 LYS 38 HG1 LYS 38 2.633 -10.133 6.288 271 HD2 LYS 38 HD2 LYS 38 4.363 -12.507 6.915 272 HD3 LYS 38 HD1 LYS 38 2.619 -12.452 6.643 273 HE2 LYS 38 HE2 LYS 38 3.038 -11.850 4.288 274 HE3 LYS 38 HE1 LYS 38 4.767 -11.987 4.587 275 HZ1 LYS 38 HZ1 LYS 38 3.807 -13.973 3.535 276 HZ2 LYS 38 HZ2 LYS 38 2.838 -14.219 4.906 277 HZ3 LYS 38 HZ3 LYS 38 4.528 -14.310 5.032 278 H GLY 39 HN GLY 39 7.128 -8.186 6.188 279 HA2 GLY 39 HA2 GLY 39 7.700 -7.225 3.449 280 HA3 GLY 39 HA1 GLY 39 8.703 -6.878 4.854 281 H ASN 40 HN ASN 40 10.556 -7.941 4.728 282 HA ASN 40 HA ASN 40 11.025 -10.397 3.439 283 HB2 ASN 40 HB2 ASN 40 12.859 -8.919 3.977 284 HB3 ASN 40 HB1 ASN 40 12.472 -8.970 5.696 285 HD21 ASN 40 HD21 ASN 40 14.454 -9.684 6.347 286 HD22 ASN 40 HD22 ASN 40 15.066 -11.259 5.978 287 H SER 41 HN SER 41 11.766 -12.421 4.792 288 HA SER 41 HA SER 41 9.517 -13.635 5.783 289 HB2 SER 41 HB2 SER 41 12.330 -14.330 6.637 290 HB3 SER 41 HB1 SER 41 10.945 -15.417 6.530 291 HG SER 41 HG SER 41 11.420 -15.714 4.516 292 H SER 42 HN SER 42 12.183 -12.341 7.785 293 HA SER 42 HA SER 42 10.768 -12.852 10.223 294 HB2 SER 42 HB2 SER 42 13.236 -11.154 9.791 295 HB3 SER 42 HB1 SER 42 12.685 -11.851 11.316 296 HG SER 42 HG SER 42 12.842 -13.946 10.060 297 H GLN 43 HN GLN 43 10.481 -10.493 7.914 298 HA GLN 43 HA GLN 43 9.700 -8.390 9.786 299 HB2 GLN 43 HB2 GLN 43 11.216 -7.799 7.900 300 HB3 GLN 43 HB1 GLN 43 9.944 -8.240 6.772 301 HG2 GLN 43 HG2 GLN 43 10.093 -5.825 7.076 302 HG3 GLN 43 HG1 GLN 43 8.537 -6.449 7.611 303 HE21 GLN 43 HE21 GLN 43 9.894 -3.966 8.301 304 HE22 GLN 43 HE22 GLN 43 10.057 -3.973 10.022 305 H GLN 44 HN GLN 44 8.200 -10.879 9.332 306 HA GLN 44 HA GLN 44 5.771 -10.365 8.028 307 HB2 GLN 44 HB2 GLN 44 4.843 -12.096 9.482 308 HB3 GLN 44 HB1 GLN 44 6.393 -12.570 8.813 309 HG2 GLN 44 HG2 GLN 44 7.333 -11.660 11.055 310 HG3 GLN 44 HG1 GLN 44 5.669 -11.833 11.598 311 HE21 GLN 44 HE21 GLN 44 7.463 -13.961 9.377 312 HE22 GLN 44 HE22 GLN 44 7.377 -15.348 10.393 313 H THR 45 HN THR 45 3.807 -10.647 10.120 314 HA THR 45 HA THR 45 2.259 -9.249 10.941 315 HB THR 45 HB THR 45 2.877 -7.553 12.631 316 HG1 THR 45 HG1 THR 45 5.382 -7.930 11.611 317 HG21 THR 45 HG21 THR 45 2.450 -9.834 13.306 318 HG22 THR 45 HG22 THR 45 3.724 -9.136 14.304 319 HG23 THR 45 HG23 THR 45 4.135 -10.264 13.012 320 H LYS 46 HN LYS 46 1.082 -7.691 10.059 321 HA LYS 46 HA LYS 46 2.290 -6.353 7.838 322 HB2 LYS 46 HB2 LYS 46 -0.487 -5.982 8.909 323 HB3 LYS 46 HB1 LYS 46 0.089 -5.546 7.319 324 HG2 LYS 46 HG2 LYS 46 0.658 -8.121 7.209 325 HG3 LYS 46 HG1 LYS 46 -0.643 -8.194 8.401 326 HD2 LYS 46 HD2 LYS 46 -2.039 -6.840 6.849 327 HD3 LYS 46 HD1 LYS 46 -0.756 -6.980 5.655 328 HE2 LYS 46 HE2 LYS 46 -0.976 -9.508 5.964 329 HE3 LYS 46 HE1 LYS 46 -2.504 -9.143 6.761 330 HZ1 LYS 46 HZ1 LYS 46 -1.743 -8.460 3.968 331 HZ2 LYS 46 HZ2 LYS 46 -3.164 -7.931 4.729 332 HZ3 LYS 46 HZ3 LYS 46 -2.920 -9.578 4.464 333 H GLU 47 HN GLU 47 3.150 -4.432 7.804 334 HA GLU 47 HA GLU 47 1.898 -2.281 9.334 335 HB2 GLU 47 HB2 GLU 47 4.892 -2.668 9.222 336 HB3 GLU 47 HB1 GLU 47 4.060 -1.260 9.883 337 HG2 GLU 47 HG2 GLU 47 3.036 -2.672 11.592 338 HG3 GLU 47 HG1 GLU 47 3.841 -4.067 10.906 339 H TRP 48 HN TRP 48 2.177 -0.230 8.298 340 HA TRP 48 HA TRP 48 2.098 -0.346 5.528 341 HB2 TRP 48 HB2 TRP 48 2.476 1.889 7.472 342 HB3 TRP 48 HB1 TRP 48 2.635 2.171 5.744 343 HD1 TRP 48 HD1 TRP 48 0.141 2.394 8.330 344 HE1 TRP 48 HE1 TRP 48 -2.245 2.353 7.324 345 HE3 TRP 48 HE3 TRP 48 1.255 0.658 3.673 346 HZ2 TRP 48 HZ2 TRP 48 -3.478 1.634 4.875 347 HZ3 TRP 48 HZ3 TRP 48 -0.562 0.318 2.061 348 HH2 TRP 48 HH2 TRP 48 -2.883 0.787 2.653 349 H ARG 49 HN ARG 49 3.691 -0.877 4.223 350 HA ARG 49 HA ARG 49 6.281 0.406 4.624 351 HB2 ARG 49 HB2 ARG 49 5.823 -2.547 4.135 352 HB3 ARG 49 HB1 ARG 49 7.388 -1.758 3.984 353 HG2 ARG 49 HG2 ARG 49 7.617 -1.462 6.245 354 HG3 ARG 49 HG1 ARG 49 5.882 -1.484 6.547 355 HD2 ARG 49 HD2 ARG 49 5.994 -3.938 5.809 356 HD3 ARG 49 HD1 ARG 49 7.736 -3.782 6.035 357 HE ARG 49 HE ARG 49 6.729 -2.873 8.373 358 HH11 ARG 49 HH11 ARG 49 6.076 -5.731 6.507 359 HH12 ARG 49 HH12 ARG 49 5.827 -6.747 7.891 360 HH21 ARG 49 HH21 ARG 49 6.380 -4.205 10.240 361 HH22 ARG 49 HH22 ARG 49 5.972 -5.880 9.995 362 H CYS 50 HN CYS 50 7.596 0.248 2.585 363 HA CYS 50 HA CYS 50 5.758 0.669 0.340 364 HB2 CYS 50 HB2 CYS 50 8.670 1.458 0.668 365 HB3 CYS 50 HB1 CYS 50 7.615 1.921 -0.674 366 HG CYS 50 HG CYS 50 5.840 3.281 1.196 367 H TYR 51 HN TYR 51 5.626 -0.805 -1.177 368 HA TYR 51 HA TYR 51 7.841 -2.732 -1.519 369 HB2 TYR 51 HB2 TYR 51 4.871 -3.304 -1.694 370 HB3 TYR 51 HB1 TYR 51 6.150 -4.480 -1.928 371 HD1 TYR 51 HD1 TYR 51 7.911 -4.177 0.289 372 HD2 TYR 51 HD2 TYR 51 3.693 -3.752 0.155 373 HE1 TYR 51 HE1 TYR 51 7.791 -4.728 2.684 374 HE2 TYR 51 HE2 TYR 51 3.556 -4.285 2.555 375 HH TYR 51 HH TYR 51 4.956 -5.545 4.225 376 H ILE 52 HN ILE 52 8.593 -2.564 -3.632 377 HA ILE 52 HA ILE 52 6.958 -1.333 -5.623 378 HB ILE 52 HB ILE 52 8.725 -2.121 -7.242 379 HG12 ILE 52 HG12 ILE 52 10.061 -2.859 -4.721 380 HG13 ILE 52 HG11 ILE 52 9.531 -4.004 -5.954 381 HG21 ILE 52 HG21 ILE 52 10.291 -0.441 -6.581 382 HG22 ILE 52 HG22 ILE 52 9.756 -0.551 -4.900 383 HG23 ILE 52 HG23 ILE 52 8.676 0.118 -6.134 384 HD11 ILE 52 HD11 ILE 52 11.961 -3.453 -5.988 385 HD12 ILE 52 HD12 ILE 52 11.517 -1.796 -6.457 386 HD13 ILE 52 HD13 ILE 52 11.115 -3.167 -7.510 387 H GLU 53 HN GLU 53 6.170 -2.288 -7.501 388 HA GLU 53 HA GLU 53 4.410 -4.340 -7.144 389 HB2 GLU 53 HB2 GLU 53 4.308 -2.701 -8.953 390 HB3 GLU 53 HB1 GLU 53 5.683 -3.461 -9.739 391 HG2 GLU 53 HG2 GLU 53 4.422 -5.484 -10.068 392 HG3 GLU 53 HG1 GLU 53 3.052 -4.800 -9.177 393 H LYS 54 HN LYS 54 7.715 -4.472 -7.911 394 HA LYS 54 HA LYS 54 8.100 -6.943 -9.062 395 HB2 LYS 54 HB2 LYS 54 9.698 -5.260 -7.128 396 HB3 LYS 54 HB1 LYS 54 10.296 -6.826 -7.631 397 HG2 LYS 54 HG2 LYS 54 11.342 -5.168 -8.989 398 HG3 LYS 54 HG1 LYS 54 10.221 -6.075 -9.997 399 HD2 LYS 54 HD2 LYS 54 9.233 -3.578 -8.719 400 HD3 LYS 54 HD1 LYS 54 10.365 -3.423 -10.062 401 HE2 LYS 54 HE2 LYS 54 7.830 -5.045 -10.180 402 HE3 LYS 54 HE1 LYS 54 7.937 -3.365 -10.693 403 HZ1 LYS 54 HZ1 LYS 54 9.607 -4.017 -12.326 404 HZ2 LYS 54 HZ2 LYS 54 8.148 -4.854 -12.560 405 HZ3 LYS 54 HZ3 LYS 54 9.467 -5.640 -11.843 406 H GLU 55 HN GLU 55 7.584 -6.034 -5.717 407 HA GLU 55 HA GLU 55 8.260 -8.708 -4.809 408 HB2 GLU 55 HB2 GLU 55 7.787 -6.214 -3.215 409 HB3 GLU 55 HB1 GLU 55 8.550 -7.689 -2.669 410 HG2 GLU 55 HG2 GLU 55 9.621 -5.868 -4.806 411 HG3 GLU 55 HG1 GLU 55 10.164 -5.905 -3.128 412 H LEU 56 HN LEU 56 5.473 -6.580 -5.060 413 HA LEU 56 HA LEU 56 3.827 -7.979 -3.219 414 HB2 LEU 56 HB2 LEU 56 3.169 -6.183 -5.540 415 HB3 LEU 56 HB1 LEU 56 1.943 -6.966 -4.590 416 HG LEU 56 HG LEU 56 2.823 -5.737 -2.548 417 HD11 LEU 56 HD11 LEU 56 5.060 -5.307 -3.473 418 HD12 LEU 56 HD12 LEU 56 4.245 -3.808 -3.027 419 HD13 LEU 56 HD13 LEU 56 4.358 -4.281 -4.723 420 HD21 LEU 56 HD21 LEU 56 1.826 -4.217 -4.978 421 HD22 LEU 56 HD22 LEU 56 1.873 -3.564 -3.335 422 HD23 LEU 56 HD23 LEU 56 0.858 -4.960 -3.698 423 H ASP 57 HN ASP 57 1.860 -9.092 -3.911 424 HA ASP 57 HA ASP 57 2.107 -10.484 -6.496 425 HB2 ASP 57 HB2 ASP 57 2.524 -12.029 -4.564 426 HB3 ASP 57 HB1 ASP 57 0.906 -11.660 -3.977 427 H PHE 58 HN PHE 58 0.477 -10.003 -7.816 428 HA PHE 58 HA PHE 58 -1.904 -8.753 -6.709 429 HB2 PHE 58 HB2 PHE 58 -0.770 -9.026 -9.460 430 HB3 PHE 58 HB1 PHE 58 -2.482 -8.655 -9.258 431 HD1 PHE 58 HD1 PHE 58 0.915 -7.494 -8.295 432 HD2 PHE 58 HD2 PHE 58 -3.188 -6.502 -8.816 433 HE1 PHE 58 HE1 PHE 58 1.467 -5.117 -7.981 434 HE2 PHE 58 HE2 PHE 58 -2.644 -4.112 -8.518 435 HZ PHE 58 HZ PHE 58 -0.317 -3.421 -8.098 436 H SER 59 HN SER 59 -0.921 -11.823 -7.152 437 HA SER 59 HA SER 59 -3.573 -12.880 -7.691 438 HB2 SER 59 HB2 SER 59 -1.028 -14.273 -6.919 439 HB3 SER 59 HB1 SER 59 -2.523 -15.063 -7.386 440 HG SER 59 HG SER 59 -0.593 -13.859 -8.942 441 H LYS 60 HN LYS 60 -1.956 -11.428 -5.305 442 HA LYS 60 HA LYS 60 -3.424 -12.722 -3.133 443 HB2 LYS 60 HB2 LYS 60 -1.074 -10.847 -3.305 444 HB3 LYS 60 HB1 LYS 60 -1.997 -10.993 -1.834 445 HG2 LYS 60 HG2 LYS 60 -0.972 -13.473 -3.042 446 HG3 LYS 60 HG1 LYS 60 0.191 -12.395 -2.289 447 HD2 LYS 60 HD2 LYS 60 -0.516 -14.026 -0.679 448 HD3 LYS 60 HD1 LYS 60 -1.170 -12.456 -0.222 449 HE2 LYS 60 HE2 LYS 60 -3.332 -13.070 -1.163 450 HE3 LYS 60 HE1 LYS 60 -2.677 -14.627 -1.672 451 HZ1 LYS 60 HZ1 LYS 60 -2.316 -15.217 0.625 452 HZ2 LYS 60 HZ2 LYS 60 -3.938 -14.771 0.406 453 HZ3 LYS 60 HZ3 LYS 60 -2.853 -13.694 1.143 454 H SER 61 HN SER 61 -5.329 -11.733 -2.576 455 HA SER 61 HA SER 61 -5.813 -9.040 -3.479 456 HB2 SER 61 HB2 SER 61 -7.925 -9.249 -2.128 457 HB3 SER 61 HB1 SER 61 -7.742 -10.434 -3.420 458 HG SER 61 HG SER 61 -6.994 -10.964 -0.729 459 H GLY 62 HN GLY 62 -5.267 -7.289 -2.439 460 HA2 GLY 62 HA2 GLY 62 -3.678 -7.602 -0.055 461 HA3 GLY 62 HA1 GLY 62 -3.874 -6.137 -1.002 462 H ASP 63 HN ASP 63 -5.016 -8.007 1.644 463 HA ASP 63 HA ASP 63 -7.102 -6.110 2.316 464 HB2 ASP 63 HB2 ASP 63 -7.375 -7.475 4.336 465 HB3 ASP 63 HB1 ASP 63 -7.326 -8.507 2.911 466 H GLY 64 HN GLY 64 -4.425 -5.214 1.888 467 HA2 GLY 64 HA2 GLY 64 -3.802 -4.064 4.532 468 HA3 GLY 64 HA1 GLY 64 -2.523 -4.721 3.513 469 H CYS 65 HN CYS 65 -5.169 -3.296 1.969 470 HA CYS 65 HA CYS 65 -3.566 -0.940 1.209 471 HB2 CYS 65 HB2 CYS 65 -6.211 -1.876 0.050 472 HB3 CYS 65 HB1 CYS 65 -5.036 -0.787 -0.680 473 HG CYS 65 HG CYS 65 -5.366 -3.773 -1.481 474 H VAL 66 HN VAL 66 -4.747 1.112 1.182 475 HA VAL 66 HA VAL 66 -6.905 1.151 3.182 476 HB VAL 66 HB VAL 66 -5.198 2.410 4.147 477 HG11 VAL 66 HG11 VAL 66 -3.876 4.089 2.940 478 HG12 VAL 66 HG12 VAL 66 -4.728 3.663 1.449 479 HG13 VAL 66 HG13 VAL 66 -3.699 2.470 2.255 480 HG21 VAL 66 HG21 VAL 66 -6.625 4.586 2.673 481 HG22 VAL 66 HG22 VAL 66 -6.019 4.586 4.341 482 HG23 VAL 66 HG23 VAL 66 -7.425 3.602 3.902 483 H ASP 67 HN ASP 67 -8.651 2.451 2.779 484 HA ASP 67 HA ASP 67 -9.265 2.683 -0.050 485 HB2 ASP 67 HB2 ASP 67 -10.788 1.602 1.681 486 HB3 ASP 67 HB1 ASP 67 -11.078 3.229 2.295 487 H ASP 68 HN ASP 68 -11.223 4.914 0.425 488 HA ASP 68 HA ASP 68 -9.332 7.051 0.050 489 HB2 ASP 68 HB2 ASP 68 -11.334 8.585 0.093 490 HB3 ASP 68 HB1 ASP 68 -11.360 7.351 -1.152 491 H CYS 69 HN CYS 69 -11.298 5.940 2.735 492 HA CYS 69 HA CYS 69 -10.029 7.947 4.450 493 HB2 CYS 69 HB2 CYS 69 -12.020 5.770 5.165 494 HB3 CYS 69 HB1 CYS 69 -11.566 7.152 6.141 495 HG CYS 69 HG CYS 69 -13.168 7.434 3.148 496 H GLY 70 HN GLY 70 -8.967 7.065 6.469 497 HA2 GLY 70 HA2 GLY 70 -7.121 5.004 5.658 498 HA3 GLY 70 HA1 GLY 70 -7.087 5.906 7.168 499 H SER 71 HN SER 71 -9.013 3.497 5.484 500 HA SER 71 HA SER 71 -8.830 1.754 7.822 501 HB2 SER 71 HB2 SER 71 -11.094 2.843 7.764 502 HB3 SER 71 HB1 SER 71 -11.345 2.130 6.172 503 HG SER 71 HG SER 71 -12.268 0.844 7.803 504 H MET 72 HN MET 72 -8.347 -0.361 7.203 505 HA MET 72 HA MET 72 -7.207 -0.540 4.659 506 HB2 MET 72 HB2 MET 72 -6.718 -2.909 5.227 507 HB3 MET 72 HB1 MET 72 -6.103 -1.699 6.349 508 HG2 MET 72 HG2 MET 72 -7.641 -2.195 7.946 509 HG3 MET 72 HG1 MET 72 -8.741 -2.925 6.787 510 HE1 MET 72 HE1 MET 72 -4.870 -3.573 7.175 511 HE2 MET 72 HE2 MET 72 -4.863 -4.929 8.303 512 HE3 MET 72 HE3 MET 72 -5.425 -3.344 8.835 513 H THR 73 HN THR 73 -8.014 -0.934 2.821 514 HA THR 73 HA THR 73 -10.503 -2.461 2.598 515 HB THR 73 HB THR 73 -10.529 -0.125 1.690 516 HG1 THR 73 HG1 THR 73 -11.548 -2.257 0.670 517 HG21 THR 73 HG21 THR 73 -8.562 -1.240 -0.318 518 HG22 THR 73 HG22 THR 73 -8.193 -0.047 0.928 519 HG23 THR 73 HG23 THR 73 -9.318 0.355 -0.372 520 H SER 74 HN SER 74 -10.592 -4.121 0.948 521 HA SER 74 HA SER 74 -7.999 -5.312 0.538 522 HB2 SER 74 HB2 SER 74 -9.446 -7.236 -0.343 523 HB3 SER 74 HB1 SER 74 -9.600 -6.825 1.362 524 HG SER 74 HG SER 74 -11.558 -6.050 1.039 525 H CYS 75 HN CYS 75 -6.894 -4.906 -1.183 526 HA CYS 75 HA CYS 75 -8.156 -4.745 -3.825 527 HB2 CYS 75 HB2 CYS 75 -7.996 -2.418 -3.124 528 HB3 CYS 75 HB1 CYS 75 -6.314 -2.645 -2.679 529 HG CYS 75 HG CYS 75 -7.590 -2.677 -5.850 530 H ARG 76 HN ARG 76 -6.794 -5.528 -5.486 531 HA ARG 76 HA ARG 76 -5.095 -7.552 -4.508 532 HB2 ARG 76 HB2 ARG 76 -5.852 -6.653 -7.238 533 HB3 ARG 76 HB1 ARG 76 -4.538 -7.795 -7.033 534 HG2 ARG 76 HG2 ARG 76 -6.352 -9.178 -7.294 535 HG3 ARG 76 HG1 ARG 76 -6.181 -9.083 -5.549 536 HD2 ARG 76 HD2 ARG 76 -8.242 -8.348 -5.393 537 HD3 ARG 76 HD1 ARG 76 -7.770 -6.925 -6.318 538 HE ARG 76 HE ARG 76 -8.245 -8.914 -8.173 539 HH11 ARG 76 HH11 ARG 76 -10.091 -7.202 -5.728 540 HH12 ARG 76 HH12 ARG 76 -11.611 -7.424 -6.543 541 HH21 ARG 76 HH21 ARG 76 -10.220 -9.191 -9.244 542 HH22 ARG 76 HH22 ARG 76 -11.689 -8.555 -8.553 543 H GLY 77 HN GLY 77 -3.198 -7.499 -3.848 544 HA2 GLY 77 HA2 GLY 77 -0.873 -7.046 -4.983 545 HA3 GLY 77 HA1 GLY 77 -1.309 -5.393 -4.560 546 H SER 78 HN SER 78 0.212 -8.158 -3.430 547 HA SER 78 HA SER 78 0.601 -6.980 -0.862 548 HB2 SER 78 HB2 SER 78 -1.631 -8.776 -1.197 549 HB3 SER 78 HB1 SER 78 -0.473 -9.464 -0.063 550 HG SER 78 HG SER 78 -0.947 -7.942 1.352 551 H VAL 79 HN VAL 79 2.038 -8.008 0.455 552 HA VAL 79 HA VAL 79 4.009 -9.460 -0.987 553 HB VAL 79 HB VAL 79 3.907 -8.539 1.868 554 HG11 VAL 79 HG11 VAL 79 5.397 -10.505 1.561 555 HG12 VAL 79 HG12 VAL 79 6.249 -9.039 2.045 556 HG13 VAL 79 HG13 VAL 79 6.300 -9.571 0.364 557 HG21 VAL 79 HG21 VAL 79 3.955 -6.737 0.226 558 HG22 VAL 79 HG22 VAL 79 5.390 -7.456 -0.519 559 HG23 VAL 79 HG23 VAL 79 5.473 -6.819 1.124 560 H SER 80 HN SER 80 3.327 -11.509 -1.414 561 HA SER 80 HA SER 80 2.041 -13.184 0.489 562 HB2 SER 80 HB2 SER 80 2.566 -14.971 -1.239 563 HB3 SER 80 HB1 SER 80 1.625 -13.599 -1.822 564 HG SER 80 HG SER 80 3.392 -14.220 -3.215 565 H GLY 81 HN GLY 81 5.159 -13.686 -1.130 566 HA2 GLY 81 HA2 GLY 81 6.230 -14.833 1.350 567 HA3 GLY 81 HA1 GLY 81 6.952 -14.991 -0.249 568 HA PRO 82 HA PRO 82 9.130 -11.763 2.526 569 HB2 PRO 82 HB2 PRO 82 11.548 -12.672 1.569 570 HB3 PRO 82 HB1 PRO 82 10.846 -13.060 3.132 571 HG2 PRO 82 HG2 PRO 82 10.761 -14.627 0.582 572 HG3 PRO 82 HG1 PRO 82 10.970 -15.197 2.251 573 HD2 PRO 82 HD2 PRO 82 8.634 -15.461 1.048 574 HD3 PRO 82 HD1 PRO 82 8.699 -14.916 2.742 575 H SER 83 HN SER 83 9.048 -9.841 1.595 576 HA SER 83 HA SER 83 9.907 -9.530 -1.187 577 HB2 SER 83 HB2 SER 83 8.354 -7.714 0.662 578 HB3 SER 83 HB1 SER 83 8.895 -7.236 -0.943 579 HG SER 83 HG SER 83 7.520 -9.646 -0.744 580 H THR 84 HN THR 84 11.786 -8.653 -1.687 581 HA THR 84 HA THR 84 13.531 -7.771 0.429 582 HB THR 84 HB THR 84 14.932 -7.287 -1.855 583 HG1 THR 84 HG1 THR 84 12.924 -8.414 -2.863 584 HG21 THR 84 HG21 THR 84 15.708 -8.526 0.095 585 HG22 THR 84 HG22 THR 84 16.017 -9.462 -1.368 586 HG23 THR 84 HG23 THR 84 14.661 -9.881 -0.318 587 H SER 85 HN SER 85 12.304 -6.274 -2.622 588 HA SER 85 HA SER 85 13.198 -3.690 -1.900 589 HB2 SER 85 HB2 SER 85 12.478 -3.493 -4.095 590 HB3 SER 85 HB1 SER 85 11.181 -4.667 -3.904 591 HG SER 85 HG SER 85 10.227 -2.973 -2.475 592 H HIS 86 HN HIS 86 12.617 -2.787 0.028 593 HA HIS 86 HA HIS 86 9.960 -2.005 0.340 594 HB2 HIS 86 HB2 HIS 86 9.129 -3.305 2.091 595 HB3 HIS 86 HB1 HIS 86 9.757 -4.445 0.917 596 HD1 HIS 86 HD1 HIS 86 12.362 -5.254 1.538 597 HD2 HIS 86 HD2 HIS 86 9.951 -3.859 4.624 598 HE1 HIS 86 HE1 HIS 86 13.399 -6.122 3.651 599 HE2 HIS 86 HE2 HIS 86 12.080 -5.033 5.502 600 H LEU 87 HN LEU 87 9.752 -0.356 1.631 601 HA LEU 87 HA LEU 87 11.849 0.166 3.634 602 HB2 LEU 87 HB2 LEU 87 10.191 2.094 2.006 603 HB3 LEU 87 HB1 LEU 87 11.114 2.587 3.408 604 HG LEU 87 HG LEU 87 13.061 1.383 1.989 605 HD11 LEU 87 HD11 LEU 87 11.171 2.497 -0.065 606 HD12 LEU 87 HD12 LEU 87 11.603 0.800 0.147 607 HD13 LEU 87 HD13 LEU 87 12.826 1.964 -0.361 608 HD21 LEU 87 HD21 LEU 87 13.755 3.594 1.300 609 HD22 LEU 87 HD22 LEU 87 13.081 3.651 2.930 610 HD23 LEU 87 HD23 LEU 87 12.122 4.210 1.560 611 H THR 88 HN THR 88 11.115 -0.012 5.682 612 HA THR 88 HA THR 88 8.264 -0.158 6.154 613 HB THR 88 HB THR 88 10.382 -0.062 8.284 614 HG1 THR 88 HG1 THR 88 11.049 -1.935 7.549 615 HG21 THR 88 HG21 THR 88 7.604 -1.169 8.172 616 HG22 THR 88 HG22 THR 88 8.180 0.179 9.153 617 HG23 THR 88 HG23 THR 88 8.726 -1.468 9.496 618 H ARG 89 HN ARG 89 7.526 1.906 5.609 619 HA ARG 89 HA ARG 89 8.156 3.890 7.699 620 HB2 ARG 89 HB2 ARG 89 7.067 4.494 4.948 621 HB3 ARG 89 HB1 ARG 89 7.677 5.640 6.127 622 HG2 ARG 89 HG2 ARG 89 9.500 3.550 5.066 623 HG3 ARG 89 HG1 ARG 89 9.114 4.951 4.072 624 HD2 ARG 89 HD2 ARG 89 9.761 6.343 6.115 625 HD3 ARG 89 HD1 ARG 89 10.479 4.859 6.736 626 HE ARG 89 HE ARG 89 11.420 5.317 4.129 627 HH11 ARG 89 HH11 ARG 89 11.753 6.514 7.399 628 HH12 ARG 89 HH12 ARG 89 13.278 7.287 7.098 629 HH21 ARG 89 HH21 ARG 89 13.450 6.343 3.725 630 HH22 ARG 89 HH22 ARG 89 14.249 7.185 5.018 631 HA PRO 90 HA PRO 90 3.709 2.539 7.770 632 HB2 PRO 90 HB2 PRO 90 4.001 1.784 10.511 633 HB3 PRO 90 HB1 PRO 90 3.622 0.753 9.149 634 HG2 PRO 90 HG2 PRO 90 5.986 0.647 10.556 635 HG3 PRO 90 HG1 PRO 90 5.774 0.095 8.890 636 HD2 PRO 90 HD2 PRO 90 7.003 2.597 9.902 637 HD3 PRO 90 HD1 PRO 90 7.410 1.627 8.493 638 H SER 91 HN SER 91 5.721 4.338 9.903 639 HA SER 91 HA SER 91 3.719 5.853 11.212 640 HB2 SER 91 HB2 SER 91 5.898 7.452 11.250 641 HB3 SER 91 HB1 SER 91 5.716 6.058 12.323 642 HG SER 91 HG SER 91 7.609 6.471 10.540 643 H GLU 92 HN GLU 92 5.504 6.157 8.212 644 HA GLU 92 HA GLU 92 4.553 8.874 7.823 645 HB2 GLU 92 HB2 GLU 92 6.958 8.025 7.454 646 HB3 GLU 92 HB1 GLU 92 6.341 7.380 5.936 647 HG2 GLU 92 HG2 GLU 92 7.369 9.533 5.591 648 HG3 GLU 92 HG1 GLU 92 5.638 9.629 5.271 649 H LEU 93 HN LEU 93 4.083 5.644 6.420 650 HA LEU 93 HA LEU 93 2.508 6.495 4.224 651 HB2 LEU 93 HB2 LEU 93 2.751 3.942 5.730 652 HB3 LEU 93 HB1 LEU 93 1.317 4.168 4.764 653 HG LEU 93 HG LEU 93 2.837 2.922 3.453 654 HD11 LEU 93 HD11 LEU 93 2.940 5.798 2.560 655 HD12 LEU 93 HD12 LEU 93 1.640 4.650 2.243 656 HD13 LEU 93 HD13 LEU 93 3.238 4.389 1.541 657 HD21 LEU 93 HD21 LEU 93 5.104 3.636 2.923 658 HD22 LEU 93 HD22 LEU 93 4.902 3.433 4.664 659 HD23 LEU 93 HD23 LEU 93 4.917 5.050 3.962 660 H GLN 94 HN GLN 94 1.610 5.600 7.546 661 HA GLN 94 HA GLN 94 -1.184 6.034 7.099 662 HB2 GLN 94 HB2 GLN 94 0.406 4.929 9.136 663 HB3 GLN 94 HB1 GLN 94 -0.403 6.302 9.871 664 HG2 GLN 94 HG2 GLN 94 -1.799 4.116 8.346 665 HG3 GLN 94 HG1 GLN 94 -1.634 4.162 10.099 666 HE21 GLN 94 HE21 GLN 94 -3.950 4.288 8.175 667 HE22 GLN 94 HE22 GLN 94 -4.867 5.653 8.698 668 H ALA 95 HN ALA 95 1.488 8.003 7.650 669 HA ALA 95 HA ALA 95 0.266 10.271 8.801 670 HB1 ALA 95 HB1 ALA 95 2.582 10.308 6.914 671 HB2 ALA 95 HB2 ALA 95 2.731 9.792 8.598 672 HB3 ALA 95 HB3 ALA 95 2.210 11.439 8.219 673 H VAL 96 HN VAL 96 0.917 9.331 5.429 674 HA VAL 96 HA VAL 96 -0.349 11.692 4.448 675 HB VAL 96 HB VAL 96 0.861 11.244 2.634 676 HG11 VAL 96 HG11 VAL 96 1.205 8.397 3.530 677 HG12 VAL 96 HG12 VAL 96 2.239 9.747 4.003 678 HG13 VAL 96 HG13 VAL 96 2.159 9.246 2.304 679 HG21 VAL 96 HG21 VAL 96 -0.911 8.835 2.288 680 HG22 VAL 96 HG22 VAL 96 0.082 9.577 1.029 681 HG23 VAL 96 HG23 VAL 96 -1.272 10.477 1.734 682 H ILE 97 HN ILE 97 -1.281 8.438 5.244 683 HA ILE 97 HA ILE 97 -3.830 8.457 4.092 684 HB ILE 97 HB ILE 97 -2.703 7.226 6.575 685 HG12 ILE 97 HG12 ILE 97 -4.095 5.707 4.448 686 HG13 ILE 97 HG11 ILE 97 -2.561 6.457 4.016 687 HG21 ILE 97 HG21 ILE 97 -4.981 7.849 7.128 688 HG22 ILE 97 HG22 ILE 97 -4.815 6.101 6.966 689 HG23 ILE 97 HG23 ILE 97 -5.564 7.042 5.673 690 HD11 ILE 97 HD11 ILE 97 -2.908 4.680 6.404 691 HD12 ILE 97 HD12 ILE 97 -1.401 5.238 5.666 692 HD13 ILE 97 HD13 ILE 97 -2.436 4.093 4.811 693 H ASP 98 HN ASP 98 -2.881 9.296 7.388 694 HA ASP 98 HA ASP 98 -5.123 10.699 8.184 695 HB2 ASP 98 HB2 ASP 98 -3.414 10.145 9.758 696 HB3 ASP 98 HB1 ASP 98 -2.200 11.052 8.864 697 H SER 99 HN SER 99 -2.336 11.917 6.347 698 HA SER 99 HA SER 99 -3.234 14.646 6.452 699 HB2 SER 99 HB2 SER 99 -0.877 14.183 6.426 700 HB3 SER 99 HB1 SER 99 -1.008 13.323 4.893 701 HG SER 99 HG SER 99 -0.680 15.184 3.994 702 H ASP 100 HN ASP 100 -2.759 12.368 3.701 703 HA ASP 100 HA ASP 100 -4.009 14.097 1.852 704 HB2 ASP 100 HB2 ASP 100 -2.831 11.453 1.810 705 HB3 ASP 100 HB1 ASP 100 -4.029 11.731 0.626 706 H LYS 101 HN LYS 101 -5.347 11.961 4.164 707 HA LYS 101 HA LYS 101 -7.794 11.246 3.077 708 HB2 LYS 101 HB2 LYS 101 -6.711 11.743 5.696 709 HB3 LYS 101 HB1 LYS 101 -8.364 12.349 5.602 710 HG2 LYS 101 HG2 LYS 101 -9.232 10.300 5.556 711 HG3 LYS 101 HG1 LYS 101 -7.967 9.656 4.508 712 HD2 LYS 101 HD2 LYS 101 -7.866 8.599 6.685 713 HD3 LYS 101 HD1 LYS 101 -6.462 9.632 6.453 714 HE2 LYS 101 HE2 LYS 101 -7.201 10.055 8.644 715 HE3 LYS 101 HE1 LYS 101 -7.738 11.419 7.664 716 HZ1 LYS 101 HZ1 LYS 101 -9.407 10.498 9.263 717 HZ2 LYS 101 HZ2 LYS 101 -9.495 9.123 8.275 718 HZ3 LYS 101 HZ3 LYS 101 -9.929 10.644 7.657 719 H SER 102 HN SER 102 -6.585 14.431 3.915 720 HA SER 102 HA SER 102 -9.042 15.837 3.696 721 HB2 SER 102 HB2 SER 102 -7.007 16.789 4.754 722 HB3 SER 102 HB1 SER 102 -6.221 16.821 3.177 723 HG SER 102 HG SER 102 -7.054 18.750 3.085 724 H ASN 103 HN ASN 103 -6.674 14.672 1.436 725 HA ASN 103 HA ASN 103 -7.819 16.011 -0.848 726 HB2 ASN 103 HB2 ASN 103 -5.323 15.188 -0.432 727 HB3 ASN 103 HB1 ASN 103 -5.956 13.700 -1.123 728 HD21 ASN 103 HD21 ASN 103 -4.588 13.933 -2.917 729 HD22 ASN 103 HD22 ASN 103 -4.927 15.080 -4.169 730 H TYR 104 HN TYR 104 -7.961 12.883 0.726 731 HA TYR 104 HA TYR 104 -10.329 12.240 -0.865 732 HB2 TYR 104 HB2 TYR 104 -8.724 9.859 -0.401 733 HB3 TYR 104 HB1 TYR 104 -9.503 10.399 -1.881 734 HD1 TYR 104 HD2 TYR 104 -6.462 10.919 0.219 735 HD2 TYR 104 HD1 TYR 104 -8.226 11.167 -3.645 736 HE1 TYR 104 HE2 TYR 104 -4.260 11.417 -0.748 737 HE2 TYR 104 HE1 TYR 104 -6.049 11.633 -4.647 738 HH TYR 104 HH TYR 104 -3.092 11.528 -2.713 739 H CYS 105 HN CYS 105 -11.740 12.075 0.721 740 HA CYS 105 HA CYS 105 -11.685 9.698 2.243 741 HB2 CYS 105 HB2 CYS 105 -10.606 10.760 3.980 742 HB3 CYS 105 HB1 CYS 105 -11.311 12.329 3.619 743 HG CYS 105 HG CYS 105 -13.371 9.882 4.757 744 H THR 106 HN THR 106 -13.718 8.920 2.185 745 HA THR 106 HA THR 106 -15.855 10.857 1.704 746 HB THR 106 HB THR 106 -17.250 8.910 1.074 747 HG1 THR 106 HG1 THR 106 -14.804 7.442 1.355 748 HG21 THR 106 HG21 THR 106 -16.170 8.481 -1.047 749 HG22 THR 106 HG22 THR 106 -14.631 9.058 -0.407 750 HG23 THR 106 HG23 THR 106 -15.980 10.177 -0.599 751 H ASP 107 HN ASP 107 -17.932 10.538 2.854 752 HA ASP 107 HA ASP 107 -17.541 9.927 5.622 753 HB2 ASP 107 HB2 ASP 107 -19.825 10.499 5.939 754 HB3 ASP 107 HB1 ASP 107 -19.235 11.582 4.684 755 H LYS 108 HN LYS 108 -18.761 8.266 2.815 756 HA LYS 108 HA LYS 108 -18.149 5.721 3.776 757 HB2 LYS 108 HB2 LYS 108 -20.071 6.035 5.257 758 HB3 LYS 108 HB1 LYS 108 -21.083 6.381 3.871 759 HG2 LYS 108 HG2 LYS 108 -21.371 4.097 4.795 760 HG3 LYS 108 HG1 LYS 108 -20.926 4.136 3.090 761 HD2 LYS 108 HD2 LYS 108 -18.776 3.357 3.498 762 HD3 LYS 108 HD1 LYS 108 -18.810 3.863 5.192 763 HE2 LYS 108 HE2 LYS 108 -20.551 1.677 4.073 764 HE3 LYS 108 HE1 LYS 108 -18.962 1.380 4.774 765 HZ1 LYS 108 HZ1 LYS 108 -20.848 1.059 6.330 766 HZ2 LYS 108 HZ2 LYS 108 -21.181 2.716 6.226 767 HZ3 LYS 108 HZ3 LYS 108 -19.707 2.188 6.867 768 H SER 109 HN SER 109 -17.214 5.766 1.682 769 HA SER 109 HA SER 109 -18.933 5.815 -0.633 770 HB2 SER 109 HB2 SER 109 -16.858 5.177 -1.861 771 HB3 SER 109 HB1 SER 109 -16.646 6.612 -0.858 772 HG SER 109 HG SER 109 -14.982 5.526 -0.134 773 H GLU 110 HN GLU 110 -18.442 3.680 1.744 774 HA GLU 110 HA GLU 110 -18.844 1.506 2.132 775 HB2 GLU 110 HB2 GLU 110 -20.850 1.977 0.630 776 HB3 GLU 110 HB1 GLU 110 -19.914 1.291 -0.690 777 HG2 GLU 110 HG2 GLU 110 -21.438 -0.348 0.232 778 HG3 GLU 110 HG1 GLU 110 -19.763 -0.828 0.505 779 H GLN 111 HN GLN 111 -16.519 1.393 2.157 780 HA GLN 111 HA GLN 111 -14.982 0.729 -0.130 781 HB2 GLN 111 HB2 GLN 111 -13.150 0.422 1.408 782 HB3 GLN 111 HB1 GLN 111 -14.087 1.813 1.930 783 HG2 GLN 111 HG2 GLN 111 -15.103 0.566 3.689 784 HG3 GLN 111 HG1 GLN 111 -14.399 -0.937 3.100 785 HE21 GLN 111 HE21 GLN 111 -11.841 0.362 2.498 786 HE22 GLN 111 HE22 GLN 111 -11.058 0.585 4.024 787 H GLN 112 HN GLN 112 -13.921 -1.252 -0.595 788 HA GLN 112 HA GLN 112 -15.594 -3.553 -0.217 789 HB2 GLN 112 HB2 GLN 112 -12.856 -3.375 -1.494 790 HB3 GLN 112 HB1 GLN 112 -14.002 -4.698 -1.664 791 HG2 GLN 112 HG2 GLN 112 -15.568 -3.187 -2.788 792 HG3 GLN 112 HG1 GLN 112 -14.395 -1.878 -2.642 793 HE21 GLN 112 HE21 GLN 112 -15.227 -4.816 -4.275 794 HE22 GLN 112 HE22 GLN 112 -14.043 -4.687 -5.532 795 HA PRO 113 HA PRO 113 -13.346 -4.632 3.512 796 HB2 PRO 113 HB2 PRO 113 -15.392 -6.589 4.027 797 HB3 PRO 113 HB1 PRO 113 -15.128 -5.043 4.835 798 HG2 PRO 113 HG2 PRO 113 -17.295 -5.607 3.240 799 HG3 PRO 113 HG1 PRO 113 -16.684 -3.975 3.558 800 HD2 PRO 113 HD2 PRO 113 -16.261 -5.725 1.168 801 HD3 PRO 113 HD1 PRO 113 -16.521 -3.968 1.250 802 H SER 114 HN SER 114 -15.103 -7.412 2.138 803 HA SER 114 HA SER 114 -12.578 -8.916 2.238 804 HB2 SER 114 HB2 SER 114 -15.389 -10.032 2.323 805 HB3 SER 114 HB1 SER 114 -13.887 -10.904 2.628 806 HG SER 114 HG SER 114 -13.655 -9.128 4.352 807 H GLN 115 HN GLN 115 -12.279 -7.804 0.084 808 HA GLN 115 HA GLN 115 -11.919 -8.068 -2.136 809 HB2 GLN 115 HB2 GLN 115 -13.382 -10.695 -1.821 810 HB3 GLN 115 HB1 GLN 115 -12.541 -10.178 -3.274 811 HG2 GLN 115 HG2 GLN 115 -10.432 -10.128 -2.023 812 HG3 GLN 115 HG1 GLN 115 -11.287 -10.677 -0.582 813 HE21 GLN 115 HE21 GLN 115 -9.096 -11.947 -2.010 814 HE22 GLN 115 HE22 GLN 115 -9.679 -13.501 -2.501 815 H ALA 116 HN ALA 116 -15.159 -9.447 -1.598 816 HA ALA 116 HA ALA 116 -16.199 -7.541 -3.589 817 HB1 ALA 116 HB1 ALA 116 -17.267 -10.266 -2.845 818 HB2 ALA 116 HB2 ALA 116 -16.376 -9.869 -4.315 819 HB3 ALA 116 HB3 ALA 116 -17.972 -9.172 -4.035 820 H THR 117 HN THR 117 -17.636 -6.106 -2.929 821 HA THR 117 HA THR 117 -18.434 -6.019 -0.178 822 HB THR 117 HB THR 117 -19.329 -4.217 -2.435 823 HG1 THR 117 HG1 THR 117 -17.604 -2.862 -1.530 824 HG21 THR 117 HG21 THR 117 -19.750 -2.597 -0.643 825 HG22 THR 117 HG22 THR 117 -19.272 -3.797 0.558 826 HG23 THR 117 HG23 THR 117 -20.716 -4.056 -0.419 827 HA PRO 118 HA PRO 118 -22.870 -6.711 -1.877 828 HB2 PRO 118 HB2 PRO 118 -23.231 -7.520 -4.432 829 HB3 PRO 118 HB1 PRO 118 -23.137 -5.814 -3.979 830 HG2 PRO 118 HG2 PRO 118 -21.029 -7.583 -5.150 831 HG3 PRO 118 HG1 PRO 118 -21.435 -5.906 -5.556 832 HD2 PRO 118 HD2 PRO 118 -19.341 -6.586 -3.954 833 HD3 PRO 118 HD1 PRO 118 -20.227 -5.058 -3.794 834 HA PRO 119 HA PRO 119 -22.076 -11.060 -1.009 835 HB2 PRO 119 HB2 PRO 119 -24.536 -11.547 0.068 836 HB3 PRO 119 HB1 PRO 119 -23.212 -10.795 0.962 837 HG2 PRO 119 HG2 PRO 119 -25.551 -9.515 -0.389 838 HG3 PRO 119 HG1 PRO 119 -24.831 -9.149 1.189 839 HD2 PRO 119 HD2 PRO 119 -24.337 -7.646 -0.994 840 HD3 PRO 119 HD1 PRO 119 -23.108 -7.921 0.259 841 HA PRO 120 HA PRO 120 -23.841 -12.647 -4.759 842 HB2 PRO 120 HB2 PRO 120 -22.864 -15.249 -3.805 843 HB3 PRO 120 HB1 PRO 120 -22.385 -14.326 -5.231 844 HG2 PRO 120 HG2 PRO 120 -20.754 -14.595 -3.117 845 HG3 PRO 120 HG1 PRO 120 -20.807 -13.102 -4.074 846 HD2 PRO 120 HD2 PRO 120 -22.090 -13.703 -1.431 847 HD3 PRO 120 HD1 PRO 120 -21.223 -12.242 -1.954 848 H GLU 121 HN GLU 121 -24.206 -14.661 -1.822 849 HA GLU 121 HA GLU 121 -27.026 -15.045 -2.531 850 HB2 GLU 121 HB2 GLU 121 -25.007 -17.193 -1.951 851 HB3 GLU 121 HB1 GLU 121 -26.711 -17.447 -1.608 852 HG2 GLU 121 HG2 GLU 121 -25.520 -16.804 -4.297 853 HG3 GLU 121 HG1 GLU 121 -26.098 -18.380 -3.758 854 H ILE 122 HN ILE 122 -28.393 -14.844 -0.865 855 HA ILE 122 HA ILE 122 -27.337 -15.192 1.857 856 HB ILE 122 HB ILE 122 -28.947 -13.329 2.556 857 HG12 ILE 122 HG12 ILE 122 -28.641 -12.593 -0.367 858 HG13 ILE 122 HG11 ILE 122 -30.129 -13.155 0.389 859 HG21 ILE 122 HG21 ILE 122 -26.544 -13.104 2.695 860 HG22 ILE 122 HG22 ILE 122 -27.259 -11.589 2.139 861 HG23 ILE 122 HG23 ILE 122 -26.460 -12.662 0.990 862 HD11 ILE 122 HD11 ILE 122 -30.152 -11.184 1.815 863 HD12 ILE 122 HD12 ILE 122 -30.124 -10.745 0.107 864 HD13 ILE 122 HD13 ILE 122 -28.653 -10.623 1.074 865 HA PRO 123 HA PRO 123 -31.218 -17.647 1.217 866 HB2 PRO 123 HB2 PRO 123 -29.783 -19.919 2.287 867 HB3 PRO 123 HB1 PRO 123 -30.456 -19.708 0.670 868 HG2 PRO 123 HG2 PRO 123 -27.776 -19.820 1.202 869 HG3 PRO 123 HG1 PRO 123 -28.471 -18.982 -0.197 870 HD2 PRO 123 HD2 PRO 123 -27.515 -17.853 2.408 871 HD3 PRO 123 HD1 PRO 123 -27.322 -17.212 0.760 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 -1.571 12.345 -7.471 2 H2 ALA 1 HT2 ALA 1 -0.493 11.766 -6.297 3 H3 ALA 1 HT3 ALA 1 -1.815 12.728 -5.836 4 HA ALA 1 HA ALA 1 -2.042 10.063 -7.110 5 HB1 ALA 1 HB1 ALA 1 -2.533 9.153 -4.971 6 HB2 ALA 1 HB2 ALA 1 -2.437 10.746 -4.211 7 HB3 ALA 1 HB3 ALA 1 -0.983 9.992 -4.870 8 HA PRO 2 HA PRO 2 -6.262 11.309 -7.665 9 HB2 PRO 2 HB2 PRO 2 -6.730 8.474 -8.160 10 HB3 PRO 2 HB1 PRO 2 -6.882 9.838 -9.255 11 HG2 PRO 2 HG2 PRO 2 -4.905 8.072 -9.570 12 HG3 PRO 2 HG1 PRO 2 -4.611 9.808 -9.811 13 HD2 PRO 2 HD2 PRO 2 -4.085 8.165 -7.352 14 HD3 PRO 2 HD1 PRO 2 -2.970 9.243 -8.225 15 H THR 3 HN THR 3 -5.339 8.562 -5.670 16 HA THR 3 HA THR 3 -7.711 9.050 -4.023 17 HB THR 3 HB THR 3 -8.011 6.638 -3.690 18 HG1 THR 3 HG1 THR 3 -6.780 5.526 -5.695 19 HG21 THR 3 HG21 THR 3 -8.084 7.540 -6.580 20 HG22 THR 3 HG22 THR 3 -9.364 7.736 -5.376 21 HG23 THR 3 HG23 THR 3 -8.927 6.121 -5.941 22 H LEU 4 HN LEU 4 -7.474 7.879 -1.817 23 HA LEU 4 HA LEU 4 -5.211 9.065 -0.669 24 HB2 LEU 4 HB2 LEU 4 -7.244 8.882 0.596 25 HB3 LEU 4 HB1 LEU 4 -7.184 7.126 0.514 26 HG LEU 4 HG LEU 4 -5.040 7.242 1.842 27 HD11 LEU 4 HD11 LEU 4 -4.387 9.498 1.389 28 HD12 LEU 4 HD12 LEU 4 -4.724 9.360 3.123 29 HD13 LEU 4 HD13 LEU 4 -5.906 10.111 2.047 30 HD21 LEU 4 HD21 LEU 4 -7.115 6.640 2.922 31 HD22 LEU 4 HD22 LEU 4 -7.548 8.340 3.098 32 HD23 LEU 4 HD23 LEU 4 -6.170 7.685 3.981 33 H GLN 5 HN GLN 5 -5.885 5.687 -1.446 34 HA GLN 5 HA GLN 5 -3.552 4.648 -0.229 35 HB2 GLN 5 HB2 GLN 5 -5.556 3.326 -0.861 36 HB3 GLN 5 HB1 GLN 5 -5.099 3.507 -2.543 37 HG2 GLN 5 HG2 GLN 5 -3.124 2.375 -0.642 38 HG3 GLN 5 HG1 GLN 5 -4.462 1.366 -1.177 39 HE21 GLN 5 HE21 GLN 5 -1.591 1.115 -1.677 40 HE22 GLN 5 HE22 GLN 5 -1.394 1.132 -3.395 41 H GLU 6 HN GLU 6 -4.190 6.032 -3.406 42 HA GLU 6 HA GLU 6 -1.664 5.296 -4.506 43 HB2 GLU 6 HB2 GLU 6 -3.664 6.015 -5.854 44 HB3 GLU 6 HB1 GLU 6 -3.337 7.661 -5.323 45 HG2 GLU 6 HG2 GLU 6 -2.383 7.419 -7.467 46 HG3 GLU 6 HG1 GLU 6 -1.068 7.446 -6.304 47 H ALA 7 HN ALA 7 -2.817 7.829 -2.433 48 HA ALA 7 HA ALA 7 -0.579 9.569 -2.643 49 HB1 ALA 7 HB1 ALA 7 -2.541 9.124 -0.391 50 HB2 ALA 7 HB2 ALA 7 -2.644 10.349 -1.661 51 HB3 ALA 7 HB3 ALA 7 -1.359 10.433 -0.454 52 H LEU 8 HN LEU 8 -1.297 6.660 -0.918 53 HA LEU 8 HA LEU 8 1.014 6.612 0.699 54 HB2 LEU 8 HB2 LEU 8 -0.720 4.442 -0.366 55 HB3 LEU 8 HB1 LEU 8 0.613 4.154 0.728 56 HG LEU 8 HG LEU 8 -1.984 5.517 1.245 57 HD11 LEU 8 HD11 LEU 8 -0.429 3.418 2.735 58 HD12 LEU 8 HD12 LEU 8 -1.695 3.079 1.554 59 HD13 LEU 8 HD13 LEU 8 -2.085 3.936 3.042 60 HD21 LEU 8 HD21 LEU 8 -0.521 7.089 2.172 61 HD22 LEU 8 HD22 LEU 8 0.595 5.840 2.724 62 HD23 LEU 8 HD23 LEU 8 -0.967 6.030 3.517 63 H ASP 9 HN ASP 9 0.212 5.053 -2.379 64 HA ASP 9 HA ASP 9 2.670 3.965 -3.014 65 HB2 ASP 9 HB2 ASP 9 0.484 5.126 -4.772 66 HB3 ASP 9 HB1 ASP 9 1.911 4.327 -5.435 67 H ARG 10 HN ARG 10 1.547 7.234 -3.108 68 HA ARG 10 HA ARG 10 3.682 8.364 -4.634 69 HB2 ARG 10 HB2 ARG 10 1.359 9.254 -4.364 70 HB3 ARG 10 HB1 ARG 10 1.727 9.615 -2.689 71 HG2 ARG 10 HG2 ARG 10 3.154 11.343 -3.260 72 HG3 ARG 10 HG1 ARG 10 3.311 10.794 -4.935 73 HD2 ARG 10 HD2 ARG 10 0.908 11.242 -5.246 74 HD3 ARG 10 HD1 ARG 10 0.832 11.892 -3.615 75 HE ARG 10 HE ARG 10 2.659 13.085 -5.590 76 HH11 ARG 10 HH11 ARG 10 -0.100 13.393 -3.420 77 HH12 ARG 10 HH12 ARG 10 -0.173 15.120 -3.586 78 HH21 ARG 10 HH21 ARG 10 2.545 15.338 -5.787 79 HH22 ARG 10 HH22 ARG 10 1.329 16.233 -4.916 80 H LYS 11 HN LYS 11 2.947 7.988 -1.191 81 HA LYS 11 HA LYS 11 5.246 9.242 -0.136 82 HB2 LYS 11 HB2 LYS 11 3.278 8.672 1.202 83 HB3 LYS 11 HB1 LYS 11 3.613 6.972 0.951 84 HG2 LYS 11 HG2 LYS 11 4.340 7.784 3.150 85 HG3 LYS 11 HG1 LYS 11 5.655 7.131 2.190 86 HD2 LYS 11 HD2 LYS 11 6.372 9.141 3.292 87 HD3 LYS 11 HD1 LYS 11 6.304 9.399 1.550 88 HE2 LYS 11 HE2 LYS 11 4.362 10.651 1.694 89 HE3 LYS 11 HE1 LYS 11 4.008 10.071 3.307 90 HZ1 LYS 11 HZ1 LYS 11 4.841 12.408 3.169 91 HZ2 LYS 11 HZ2 LYS 11 6.350 11.781 2.712 92 HZ3 LYS 11 HZ3 LYS 11 5.698 11.399 4.228 93 H CYS 12 HN CYS 12 4.388 5.962 -0.951 94 HA CYS 12 HA CYS 12 6.716 4.583 -0.500 95 HB2 CYS 12 HB2 CYS 12 4.548 4.238 -2.546 96 HB3 CYS 12 HB1 CYS 12 5.820 3.060 -2.318 97 HG CYS 12 HG CYS 12 3.236 2.485 -1.049 98 H ALA 13 HN ALA 13 5.831 6.526 -3.282 99 HA ALA 13 HA ALA 13 8.036 5.689 -4.892 100 HB1 ALA 13 HB1 ALA 13 7.389 7.823 -6.182 101 HB2 ALA 13 HB2 ALA 13 6.031 7.934 -5.050 102 HB3 ALA 13 HB3 ALA 13 6.210 6.517 -6.087 103 H GLN 14 HN GLN 14 7.501 8.094 -2.464 104 HA GLN 14 HA GLN 14 9.751 9.739 -3.067 105 HB2 GLN 14 HB2 GLN 14 7.951 9.492 -0.683 106 HB3 GLN 14 HB1 GLN 14 9.269 10.661 -0.769 107 HG2 GLN 14 HG2 GLN 14 8.268 11.579 -2.824 108 HG3 GLN 14 HG1 GLN 14 6.916 10.472 -2.628 109 HE21 GLN 14 HE21 GLN 14 6.975 10.784 0.300 110 HE22 GLN 14 HE22 GLN 14 6.248 12.320 0.612 111 H PHE 15 HN PHE 15 9.208 6.915 -1.143 112 HA PHE 15 HA PHE 15 11.873 7.091 0.048 113 HB2 PHE 15 HB2 PHE 15 9.707 5.011 0.402 114 HB3 PHE 15 HB1 PHE 15 11.232 5.044 1.268 115 HD1 PHE 15 HD2 PHE 15 11.649 7.495 2.344 116 HD2 PHE 15 HD1 PHE 15 7.890 5.656 1.636 117 HE1 PHE 15 HE2 PHE 15 10.651 8.895 4.076 118 HE2 PHE 15 HE1 PHE 15 6.871 7.069 3.367 119 HZ PHE 15 HZ PHE 15 8.170 8.530 4.658 120 H GLY 16 HN GLY 16 9.925 4.708 -1.716 121 HA2 GLY 16 HA2 GLY 16 11.852 2.782 -2.166 122 HA3 GLY 16 HA1 GLY 16 10.469 3.074 -3.200 123 H LYS 17 HN LYS 17 10.785 5.180 -4.556 124 HA LYS 17 HA LYS 17 12.885 4.433 -6.306 125 HB2 LYS 17 HB2 LYS 17 11.253 6.934 -6.506 126 HB3 LYS 17 HB1 LYS 17 11.999 5.998 -7.797 127 HG2 LYS 17 HG2 LYS 17 9.696 5.092 -6.091 128 HG3 LYS 17 HG1 LYS 17 9.573 5.734 -7.719 129 HD2 LYS 17 HD2 LYS 17 11.107 3.825 -8.425 130 HD3 LYS 17 HD1 LYS 17 10.802 3.133 -6.826 131 HE2 LYS 17 HE2 LYS 17 9.288 2.208 -8.495 132 HE3 LYS 17 HE1 LYS 17 8.412 3.127 -7.272 133 HZ1 LYS 17 HZ1 LYS 17 9.190 4.235 -9.916 134 HZ2 LYS 17 HZ2 LYS 17 8.142 4.933 -8.779 135 HZ3 LYS 17 HZ3 LYS 17 7.678 3.530 -9.607 136 H GLU 18 HN GLU 18 12.583 6.702 -3.730 137 HA GLU 18 HA GLU 18 14.783 8.353 -4.330 138 HB2 GLU 18 HB2 GLU 18 13.457 8.985 -2.486 139 HB3 GLU 18 HB1 GLU 18 13.611 7.409 -1.722 140 HG2 GLU 18 HG2 GLU 18 15.987 7.859 -1.317 141 HG3 GLU 18 HG1 GLU 18 15.811 9.441 -2.071 142 H SER 19 HN SER 19 14.590 5.266 -2.571 143 HA SER 19 HA SER 19 17.326 4.809 -2.280 144 HB2 SER 19 HB2 SER 19 15.176 2.758 -2.801 145 HB3 SER 19 HB1 SER 19 16.751 2.460 -2.058 146 HG SER 19 HG SER 19 15.603 4.406 -0.675 147 H CYS 20 HN CYS 20 15.128 4.070 -4.919 148 HA CYS 20 HA CYS 20 16.899 2.832 -6.673 149 HB2 CYS 20 HB2 CYS 20 14.885 2.675 -7.644 150 HB3 CYS 20 HB1 CYS 20 14.271 4.076 -6.782 151 HG CYS 20 HG CYS 20 16.171 4.305 -9.629 152 H ASN 21 HN ASN 21 16.212 6.266 -6.171 153 HA ASN 21 HA ASN 21 17.946 7.240 -8.190 154 HB2 ASN 21 HB2 ASN 21 16.537 8.412 -5.842 155 HB3 ASN 21 HB1 ASN 21 17.863 9.326 -6.553 156 HD21 ASN 21 HD21 ASN 21 14.704 7.940 -7.145 157 HD22 ASN 21 HD22 ASN 21 14.337 8.903 -8.543 158 H SER 22 HN SER 22 18.372 6.456 -4.803 159 HA SER 22 HA SER 22 20.987 7.497 -4.531 160 HB2 SER 22 HB2 SER 22 19.454 6.976 -2.641 161 HB3 SER 22 HB1 SER 22 19.703 5.260 -2.953 162 HG SER 22 HG SER 22 21.574 7.194 -2.064 163 H GLY 23 HN GLY 23 19.729 4.519 -5.833 164 HA2 GLY 23 HA2 GLY 23 21.573 3.781 -7.520 165 HA3 GLY 23 HA1 GLY 23 22.446 3.425 -6.040 166 H LEU 24 HN LEU 24 19.331 2.831 -5.274 167 HA LEU 24 HA LEU 24 19.710 0.020 -5.303 168 HB2 LEU 24 HB2 LEU 24 17.707 1.903 -4.315 169 HB3 LEU 24 HB1 LEU 24 17.026 0.381 -4.848 170 HG LEU 24 HG LEU 24 17.763 0.695 -2.359 171 HD11 LEU 24 HD11 LEU 24 16.894 -1.372 -3.229 172 HD12 LEU 24 HD12 LEU 24 18.304 -1.699 -2.224 173 HD13 LEU 24 HD13 LEU 24 18.445 -1.747 -3.981 174 HD21 LEU 24 HD21 LEU 24 20.357 -0.031 -3.714 175 HD22 LEU 24 HD22 LEU 24 20.061 -0.100 -1.972 176 HD23 LEU 24 HD23 LEU 24 20.022 1.451 -2.810 177 H ALA 25 HN ALA 25 19.669 -1.138 -7.036 178 HA ALA 25 HA ALA 25 18.454 -0.329 -9.467 179 HB1 ALA 25 HB1 ALA 25 19.173 -2.481 -10.318 180 HB2 ALA 25 HB2 ALA 25 19.516 -3.029 -8.676 181 HB3 ALA 25 HB3 ALA 25 20.452 -1.709 -9.381 182 H SER 26 HN SER 26 17.236 -1.968 -6.737 183 HA SER 26 HA SER 26 15.290 -3.581 -7.987 184 HB2 SER 26 HB2 SER 26 14.246 -3.596 -5.711 185 HB3 SER 26 HB1 SER 26 15.922 -4.128 -5.779 186 HG SER 26 HG SER 26 15.760 -2.725 -4.077 187 H TYR 27 HN TYR 27 14.841 -0.486 -6.198 188 HA TYR 27 HA TYR 27 12.163 -0.196 -7.131 189 HB2 TYR 27 HB2 TYR 27 13.826 2.132 -6.152 190 HB3 TYR 27 HB1 TYR 27 12.094 1.861 -6.013 191 HD1 TYR 27 HD2 TYR 27 11.243 0.098 -4.453 192 HD2 TYR 27 HD1 TYR 27 15.304 1.410 -4.431 193 HE1 TYR 27 HE2 TYR 27 11.520 -0.857 -2.204 194 HE2 TYR 27 HE1 TYR 27 15.596 0.436 -2.191 195 HH TYR 27 HH TYR 27 14.126 -0.129 -0.221 196 H CYS 28 HN CYS 28 15.180 0.388 -8.565 197 HA CYS 28 HA CYS 28 14.464 2.585 -10.228 198 HB2 CYS 28 HB2 CYS 28 16.821 1.911 -9.610 199 HB3 CYS 28 HB1 CYS 28 16.650 0.564 -10.727 200 HG CYS 28 HG CYS 28 17.097 1.857 -12.922 201 H GLY 29 HN GLY 29 12.980 2.479 -11.754 202 HA2 GLY 29 HA2 GLY 29 11.919 1.738 -13.682 203 HA3 GLY 29 HA1 GLY 29 12.980 0.335 -13.694 204 H ALA 30 HN ALA 30 11.656 0.751 -10.679 205 HA ALA 30 HA ALA 30 9.780 -1.444 -11.127 206 HB1 ALA 30 HB1 ALA 30 10.960 -0.309 -8.600 207 HB2 ALA 30 HB2 ALA 30 11.376 -1.836 -9.381 208 HB3 ALA 30 HB3 ALA 30 9.782 -1.622 -8.654 209 H ALA 31 HN ALA 31 7.773 -1.390 -9.857 210 HA ALA 31 HA ALA 31 6.585 1.302 -9.726 211 HB1 ALA 31 HB1 ALA 31 5.528 -0.173 -11.350 212 HB2 ALA 31 HB2 ALA 31 4.440 0.184 -10.011 213 HB3 ALA 31 HB3 ALA 31 5.261 -1.378 -10.086 214 H ILE 32 HN ILE 32 6.527 1.993 -7.567 215 HA ILE 32 HA ILE 32 6.469 -0.184 -5.609 216 HB ILE 32 HB ILE 32 8.394 1.392 -5.435 217 HG12 ILE 32 HG12 ILE 32 6.812 1.815 -2.958 218 HG13 ILE 32 HG11 ILE 32 7.032 0.151 -3.481 219 HG21 ILE 32 HG21 ILE 32 8.051 3.610 -4.575 220 HG22 ILE 32 HG22 ILE 32 6.305 3.368 -4.558 221 HG23 ILE 32 HG23 ILE 32 7.176 3.415 -6.095 222 HD11 ILE 32 HD11 ILE 32 8.707 0.983 -1.848 223 HD12 ILE 32 HD12 ILE 32 9.287 2.084 -3.099 224 HD13 ILE 32 HD13 ILE 32 9.387 0.327 -3.347 225 H TYR 33 HN TYR 33 4.992 -0.365 -4.071 226 HA TYR 33 HA TYR 33 2.727 1.513 -4.146 227 HB2 TYR 33 HB2 TYR 33 2.519 -1.498 -4.009 228 HB3 TYR 33 HB1 TYR 33 1.191 -0.354 -4.093 229 HD1 TYR 33 HD1 TYR 33 0.791 0.910 -6.188 230 HD2 TYR 33 HD2 TYR 33 3.625 -2.242 -5.966 231 HE1 TYR 33 HE1 TYR 33 0.792 0.762 -8.633 232 HE2 TYR 33 HE2 TYR 33 3.648 -2.401 -8.421 233 HH TYR 33 HH TYR 33 2.113 -0.015 -10.427 234 H ALA 34 HN ALA 34 1.408 1.481 -2.259 235 HA ALA 34 HA ALA 34 2.886 0.845 0.178 236 HB1 ALA 34 HB1 ALA 34 1.522 2.994 -0.305 237 HB2 ALA 34 HB2 ALA 34 1.442 2.241 1.295 238 HB3 ALA 34 HB3 ALA 34 0.129 1.986 0.136 239 H ARG 35 HN ARG 35 2.622 -1.046 1.154 240 HA ARG 35 HA ARG 35 -0.083 -2.146 1.170 241 HB2 ARG 35 HB2 ARG 35 1.761 -3.227 -0.497 242 HB3 ARG 35 HB1 ARG 35 2.063 -4.171 0.956 243 HG2 ARG 35 HG2 ARG 35 0.442 -5.253 -0.504 244 HG3 ARG 35 HG1 ARG 35 -0.275 -4.813 1.046 245 HD2 ARG 35 HD2 ARG 35 -1.780 -4.277 -0.800 246 HD3 ARG 35 HD1 ARG 35 -1.259 -2.814 0.034 247 HE ARG 35 HE ARG 35 0.478 -3.289 -2.111 248 HH11 ARG 35 HH11 ARG 35 -2.892 -2.476 -1.659 249 HH12 ARG 35 HH12 ARG 35 -2.989 -1.508 -3.100 250 HH21 ARG 35 HH21 ARG 35 0.355 -2.000 -3.998 251 HH22 ARG 35 HH22 ARG 35 -1.132 -1.207 -4.412 252 H TYR 36 HN TYR 36 -0.707 -2.364 3.136 253 HA TYR 36 HA TYR 36 1.053 -2.521 5.398 254 HB2 TYR 36 HB2 TYR 36 -1.343 -1.567 5.286 255 HB3 TYR 36 HB1 TYR 36 -1.882 -3.243 5.335 256 HD1 TYR 36 HD1 TYR 36 0.014 -0.685 7.176 257 HD2 TYR 36 HD2 TYR 36 -1.983 -4.418 7.371 258 HE1 TYR 36 HE1 TYR 36 0.182 -0.614 9.610 259 HE2 TYR 36 HE2 TYR 36 -1.842 -4.378 9.815 260 HH TYR 36 HH TYR 36 -1.044 -1.567 11.556 261 H ASP 37 HN ASP 37 2.312 -4.366 4.766 262 HA ASP 37 HA ASP 37 1.075 -6.933 5.355 263 HB2 ASP 37 HB2 ASP 37 1.154 -6.373 2.718 264 HB3 ASP 37 HB1 ASP 37 2.813 -6.933 2.918 265 H LYS 38 HN LYS 38 3.156 -8.580 4.677 266 HA LYS 38 HA LYS 38 5.161 -7.827 6.638 267 HB2 LYS 38 HB2 LYS 38 4.834 -10.293 4.932 268 HB3 LYS 38 HB1 LYS 38 5.993 -10.120 6.237 269 HG2 LYS 38 HG2 LYS 38 4.296 -10.097 7.864 270 HG3 LYS 38 HG1 LYS 38 3.027 -9.873 6.660 271 HD2 LYS 38 HD2 LYS 38 4.617 -12.304 7.353 272 HD3 LYS 38 HD1 LYS 38 2.870 -12.108 7.241 273 HE2 LYS 38 HE2 LYS 38 4.787 -12.059 4.937 274 HE3 LYS 38 HE1 LYS 38 3.797 -13.436 5.400 275 HZ1 LYS 38 HZ1 LYS 38 2.892 -10.837 4.277 276 HZ2 LYS 38 HZ2 LYS 38 1.828 -11.896 5.058 277 HZ3 LYS 38 HZ3 LYS 38 2.640 -12.399 3.660 278 H GLY 39 HN GLY 39 7.454 -8.012 6.149 279 HA2 GLY 39 HA2 GLY 39 8.106 -7.284 3.372 280 HA3 GLY 39 HA1 GLY 39 9.142 -7.022 4.774 281 H ASN 40 HN ASN 40 10.875 -8.284 4.688 282 HA ASN 40 HA ASN 40 10.980 -10.828 3.422 283 HB2 ASN 40 HB2 ASN 40 12.979 -9.398 3.830 284 HB3 ASN 40 HB1 ASN 40 12.793 -9.656 5.561 285 HD21 ASN 40 HD21 ASN 40 13.708 -11.075 2.526 286 HD22 ASN 40 HD22 ASN 40 14.501 -12.468 3.186 287 H SER 41 HN SER 41 11.766 -12.793 4.959 288 HA SER 41 HA SER 41 9.541 -13.658 6.371 289 HB2 SER 41 HB2 SER 41 11.306 -15.159 5.500 290 HB3 SER 41 HB1 SER 41 12.410 -14.562 6.737 291 HG SER 41 HG SER 41 10.738 -16.564 6.947 292 H SER 42 HN SER 42 12.542 -12.211 7.609 293 HA SER 42 HA SER 42 11.697 -12.312 10.342 294 HB2 SER 42 HB2 SER 42 13.749 -10.752 10.579 295 HB3 SER 42 HB1 SER 42 14.020 -12.408 10.033 296 HG SER 42 HG SER 42 15.085 -10.719 8.780 297 H GLN 43 HN GLN 43 10.813 -10.410 7.799 298 HA GLN 43 HA GLN 43 10.281 -8.029 9.432 299 HB2 GLN 43 HB2 GLN 43 10.525 -8.437 6.459 300 HB3 GLN 43 HB1 GLN 43 9.763 -7.003 7.132 301 HG2 GLN 43 HG2 GLN 43 12.546 -7.850 7.874 302 HG3 GLN 43 HG1 GLN 43 12.196 -6.806 6.496 303 HE21 GLN 43 HE21 GLN 43 12.237 -7.058 9.963 304 HE22 GLN 43 HE22 GLN 43 12.000 -5.372 10.296 305 H GLN 44 HN GLN 44 8.739 -10.537 9.492 306 HA GLN 44 HA GLN 44 6.310 -10.294 8.086 307 HB2 GLN 44 HB2 GLN 44 5.447 -11.962 9.558 308 HB3 GLN 44 HB1 GLN 44 7.116 -12.352 9.195 309 HG2 GLN 44 HG2 GLN 44 6.213 -10.991 11.715 310 HG3 GLN 44 HG1 GLN 44 6.403 -12.729 11.540 311 HE21 GLN 44 HE21 GLN 44 7.999 -9.691 11.878 312 HE22 GLN 44 HE22 GLN 44 9.592 -10.312 12.129 313 H THR 45 HN THR 45 4.366 -10.549 10.170 314 HA THR 45 HA THR 45 2.704 -9.260 10.936 315 HB THR 45 HB THR 45 3.473 -7.362 12.555 316 HG1 THR 45 HG1 THR 45 5.784 -7.855 11.664 317 HG21 THR 45 HG21 THR 45 3.966 -10.278 13.121 318 HG22 THR 45 HG22 THR 45 2.421 -9.435 13.248 319 HG23 THR 45 HG23 THR 45 3.746 -9.017 14.335 320 H LYS 46 HN LYS 46 1.542 -8.119 9.625 321 HA LYS 46 HA LYS 46 2.546 -6.441 7.652 322 HB2 LYS 46 HB2 LYS 46 -0.225 -6.289 8.778 323 HB3 LYS 46 HB1 LYS 46 0.293 -5.780 7.191 324 HG2 LYS 46 HG2 LYS 46 0.949 -8.258 6.869 325 HG3 LYS 46 HG1 LYS 46 -0.127 -8.534 8.240 326 HD2 LYS 46 HD2 LYS 46 -1.766 -7.011 6.859 327 HD3 LYS 46 HD1 LYS 46 -0.741 -7.511 5.517 328 HE2 LYS 46 HE2 LYS 46 -1.182 -9.842 5.976 329 HE3 LYS 46 HE1 LYS 46 -2.124 -9.410 7.402 330 HZ1 LYS 46 HZ1 LYS 46 -2.800 -8.807 4.572 331 HZ2 LYS 46 HZ2 LYS 46 -3.659 -8.206 5.907 332 HZ3 LYS 46 HZ3 LYS 46 -3.612 -9.873 5.611 333 H GLU 47 HN GLU 47 3.305 -4.469 7.721 334 HA GLU 47 HA GLU 47 1.869 -2.440 9.265 335 HB2 GLU 47 HB2 GLU 47 4.887 -2.662 9.223 336 HB3 GLU 47 HB1 GLU 47 3.980 -1.287 9.840 337 HG2 GLU 47 HG2 GLU 47 3.071 -2.595 11.610 338 HG3 GLU 47 HG1 GLU 47 3.717 -4.072 10.915 339 H TRP 48 HN TRP 48 2.078 -0.344 8.273 340 HA TRP 48 HA TRP 48 1.992 -0.420 5.506 341 HB2 TRP 48 HB2 TRP 48 2.357 1.798 7.470 342 HB3 TRP 48 HB1 TRP 48 2.457 2.090 5.744 343 HD1 TRP 48 HD1 TRP 48 0.041 2.269 8.410 344 HE1 TRP 48 HE1 TRP 48 -2.360 2.236 7.464 345 HE3 TRP 48 HE3 TRP 48 1.037 0.554 3.712 346 HZ2 TRP 48 HZ2 TRP 48 -3.667 1.526 5.050 347 HZ3 TRP 48 HZ3 TRP 48 -0.825 0.212 2.150 348 HH2 TRP 48 HH2 TRP 48 -3.137 0.681 2.813 349 H ARG 49 HN ARG 49 3.617 -0.907 4.202 350 HA ARG 49 HA ARG 49 6.141 0.496 4.625 351 HB2 ARG 49 HB2 ARG 49 5.829 -2.468 4.119 352 HB3 ARG 49 HB1 ARG 49 7.351 -1.605 3.945 353 HG2 ARG 49 HG2 ARG 49 7.591 -1.288 6.196 354 HG3 ARG 49 HG1 ARG 49 5.866 -1.404 6.522 355 HD2 ARG 49 HD2 ARG 49 6.133 -3.851 5.740 356 HD3 ARG 49 HD1 ARG 49 7.852 -3.581 6.022 357 HE ARG 49 HE ARG 49 6.615 -2.740 8.310 358 HH11 ARG 49 HH11 ARG 49 6.563 -5.669 6.458 359 HH12 ARG 49 HH12 ARG 49 6.465 -6.709 7.844 360 HH21 ARG 49 HH21 ARG 49 6.440 -4.084 10.172 361 HH22 ARG 49 HH22 ARG 49 6.346 -5.811 9.947 362 H CYS 50 HN CYS 50 7.500 0.369 2.627 363 HA CYS 50 HA CYS 50 5.723 0.682 0.324 364 HB2 CYS 50 HB2 CYS 50 8.620 1.513 0.687 365 HB3 CYS 50 HB1 CYS 50 7.564 1.963 -0.653 366 HG CYS 50 HG CYS 50 5.766 3.309 1.201 367 H TYR 51 HN TYR 51 5.621 -0.882 -1.078 368 HA TYR 51 HA TYR 51 7.865 -2.783 -1.326 369 HB2 TYR 51 HB2 TYR 51 4.890 -3.339 -1.523 370 HB3 TYR 51 HB1 TYR 51 6.153 -4.525 -1.796 371 HD1 TYR 51 HD1 TYR 51 7.971 -4.057 0.395 372 HD2 TYR 51 HD2 TYR 51 3.729 -3.996 0.348 373 HE1 TYR 51 HE1 TYR 51 7.941 -4.651 2.790 374 HE2 TYR 51 HE2 TYR 51 3.679 -4.584 2.735 375 HH TYR 51 HH TYR 51 6.463 -4.488 4.701 376 H ILE 52 HN ILE 52 8.669 -2.726 -3.415 377 HA ILE 52 HA ILE 52 7.090 -1.538 -5.488 378 HB ILE 52 HB ILE 52 8.938 -2.436 -7.008 379 HG12 ILE 52 HG12 ILE 52 10.231 -2.811 -4.382 380 HG13 ILE 52 HG11 ILE 52 9.779 -4.120 -5.481 381 HG21 ILE 52 HG21 ILE 52 10.379 -0.607 -6.481 382 HG22 ILE 52 HG22 ILE 52 9.776 -0.560 -4.821 383 HG23 ILE 52 HG23 ILE 52 8.718 -0.096 -6.162 384 HD11 ILE 52 HD11 ILE 52 11.678 -1.888 -6.172 385 HD12 ILE 52 HD12 ILE 52 11.324 -3.332 -7.132 386 HD13 ILE 52 HD13 ILE 52 12.173 -3.486 -5.591 387 H GLU 53 HN GLU 53 6.342 -2.561 -7.346 388 HA GLU 53 HA GLU 53 4.576 -4.595 -6.908 389 HB2 GLU 53 HB2 GLU 53 4.427 -3.033 -8.757 390 HB3 GLU 53 HB1 GLU 53 5.835 -3.754 -9.519 391 HG2 GLU 53 HG2 GLU 53 4.651 -5.824 -9.841 392 HG3 GLU 53 HG1 GLU 53 3.245 -5.180 -8.973 393 H LYS 54 HN LYS 54 7.872 -4.770 -7.842 394 HA LYS 54 HA LYS 54 8.331 -7.282 -8.751 395 HB2 LYS 54 HB2 LYS 54 9.826 -5.226 -7.676 396 HB3 LYS 54 HB1 LYS 54 10.052 -6.479 -6.470 397 HG2 LYS 54 HG2 LYS 54 10.446 -7.349 -9.264 398 HG3 LYS 54 HG1 LYS 54 11.600 -6.153 -8.674 399 HD2 LYS 54 HD2 LYS 54 12.555 -8.252 -8.186 400 HD3 LYS 54 HD1 LYS 54 11.910 -7.658 -6.657 401 HE2 LYS 54 HE2 LYS 54 9.834 -9.010 -7.167 402 HE3 LYS 54 HE1 LYS 54 10.756 -9.757 -8.471 403 HZ1 LYS 54 HZ1 LYS 54 12.362 -10.535 -6.854 404 HZ2 LYS 54 HZ2 LYS 54 10.804 -11.072 -6.443 405 HZ3 LYS 54 HZ3 LYS 54 11.501 -9.780 -5.597 406 H GLU 55 HN GLU 55 7.747 -6.240 -5.459 407 HA GLU 55 HA GLU 55 8.261 -8.903 -4.427 408 HB2 GLU 55 HB2 GLU 55 7.847 -6.354 -2.923 409 HB3 GLU 55 HB1 GLU 55 8.658 -7.804 -2.373 410 HG2 GLU 55 HG2 GLU 55 9.641 -6.122 -4.663 411 HG3 GLU 55 HG1 GLU 55 10.138 -5.888 -2.983 412 H LEU 56 HN LEU 56 5.577 -6.749 -4.961 413 HA LEU 56 HA LEU 56 3.820 -8.054 -3.115 414 HB2 LEU 56 HB2 LEU 56 3.311 -6.244 -5.463 415 HB3 LEU 56 HB1 LEU 56 2.024 -7.008 -4.581 416 HG LEU 56 HG LEU 56 2.877 -5.789 -2.496 417 HD11 LEU 56 HD11 LEU 56 4.240 -3.814 -2.978 418 HD12 LEU 56 HD12 LEU 56 4.387 -4.309 -4.665 419 HD13 LEU 56 HD13 LEU 56 5.107 -5.291 -3.390 420 HD21 LEU 56 HD21 LEU 56 1.858 -3.653 -3.286 421 HD22 LEU 56 HD22 LEU 56 0.894 -5.087 -3.646 422 HD23 LEU 56 HD23 LEU 56 1.839 -4.315 -4.926 423 H ASP 57 HN ASP 57 1.839 -9.087 -3.954 424 HA ASP 57 HA ASP 57 2.193 -10.498 -6.504 425 HB2 ASP 57 HB2 ASP 57 2.673 -11.949 -4.414 426 HB3 ASP 57 HB1 ASP 57 0.948 -11.834 -4.106 427 H PHE 58 HN PHE 58 0.493 -10.118 -7.795 428 HA PHE 58 HA PHE 58 -1.849 -8.853 -6.616 429 HB2 PHE 58 HB2 PHE 58 -0.822 -9.117 -9.410 430 HB3 PHE 58 HB1 PHE 58 -2.505 -8.673 -9.117 431 HD1 PHE 58 HD1 PHE 58 0.980 -7.665 -8.262 432 HD2 PHE 58 HD2 PHE 58 -3.095 -6.520 -8.656 433 HE1 PHE 58 HE1 PHE 58 1.623 -5.313 -7.935 434 HE2 PHE 58 HE2 PHE 58 -2.458 -4.156 -8.343 435 HZ PHE 58 HZ PHE 58 -0.099 -3.553 -7.977 436 H SER 59 HN SER 59 -0.976 -11.946 -7.065 437 HA SER 59 HA SER 59 -3.676 -12.858 -7.699 438 HB2 SER 59 HB2 SER 59 -1.947 -14.953 -6.761 439 HB3 SER 59 HB1 SER 59 -2.688 -14.762 -8.346 440 HG SER 59 HG SER 59 -0.203 -13.723 -7.430 441 H LYS 60 HN LYS 60 -1.974 -11.636 -5.195 442 HA LYS 60 HA LYS 60 -3.595 -12.944 -3.134 443 HB2 LYS 60 HB2 LYS 60 -1.047 -11.386 -3.128 444 HB3 LYS 60 HB1 LYS 60 -2.122 -11.196 -1.770 445 HG2 LYS 60 HG2 LYS 60 -0.497 -12.822 -1.199 446 HG3 LYS 60 HG1 LYS 60 -2.042 -13.638 -1.407 447 HD2 LYS 60 HD2 LYS 60 -0.229 -13.481 -3.754 448 HD3 LYS 60 HD1 LYS 60 0.216 -14.574 -2.443 449 HE2 LYS 60 HE2 LYS 60 -2.361 -14.584 -4.012 450 HE3 LYS 60 HE1 LYS 60 -1.060 -15.768 -4.111 451 HZ1 LYS 60 HZ1 LYS 60 -2.692 -16.719 -2.752 452 HZ2 LYS 60 HZ2 LYS 60 -2.934 -15.291 -1.872 453 HZ3 LYS 60 HZ3 LYS 60 -1.501 -16.175 -1.671 454 H SER 61 HN SER 61 -5.382 -11.879 -2.441 455 HA SER 61 HA SER 61 -5.781 -9.167 -3.338 456 HB2 SER 61 HB2 SER 61 -7.955 -9.353 -2.097 457 HB3 SER 61 HB1 SER 61 -7.737 -10.540 -3.382 458 HG SER 61 HG SER 61 -6.859 -11.299 -0.847 459 H GLY 62 HN GLY 62 -5.334 -7.423 -2.221 460 HA2 GLY 62 HA2 GLY 62 -3.938 -7.836 0.300 461 HA3 GLY 62 HA1 GLY 62 -3.859 -6.410 -0.719 462 H ASP 63 HN ASP 63 -5.461 -7.978 1.883 463 HA ASP 63 HA ASP 63 -7.302 -5.760 2.264 464 HB2 ASP 63 HB2 ASP 63 -7.794 -8.183 2.944 465 HB3 ASP 63 HB1 ASP 63 -6.641 -7.944 4.254 466 H GLY 64 HN GLY 64 -4.603 -5.197 1.972 467 HA2 GLY 64 HA2 GLY 64 -3.869 -4.108 4.621 468 HA3 GLY 64 HA1 GLY 64 -2.663 -4.824 3.554 469 H CYS 65 HN CYS 65 -5.274 -3.152 2.180 470 HA CYS 65 HA CYS 65 -3.568 -0.850 1.455 471 HB2 CYS 65 HB2 CYS 65 -6.219 -1.584 0.208 472 HB3 CYS 65 HB1 CYS 65 -4.905 -0.646 -0.492 473 HG CYS 65 HG CYS 65 -5.314 -3.997 -0.332 474 H VAL 66 HN VAL 66 -4.741 1.225 1.424 475 HA VAL 66 HA VAL 66 -7.015 1.240 3.291 476 HB VAL 66 HB VAL 66 -5.362 2.501 4.357 477 HG11 VAL 66 HG11 VAL 66 -4.732 3.765 1.701 478 HG12 VAL 66 HG12 VAL 66 -3.758 2.559 2.553 479 HG13 VAL 66 HG13 VAL 66 -3.964 4.175 3.241 480 HG21 VAL 66 HG21 VAL 66 -6.717 4.673 2.800 481 HG22 VAL 66 HG22 VAL 66 -6.150 4.709 4.478 482 HG23 VAL 66 HG23 VAL 66 -7.548 3.719 4.031 483 H ASP 67 HN ASP 67 -8.743 2.557 2.729 484 HA ASP 67 HA ASP 67 -9.110 2.702 -0.147 485 HB2 ASP 67 HB2 ASP 67 -10.748 1.758 1.636 486 HB3 ASP 67 HB1 ASP 67 -11.184 3.448 1.875 487 H ASP 68 HN ASP 68 -11.086 4.942 0.003 488 HA ASP 68 HA ASP 68 -9.182 7.074 -0.266 489 HB2 ASP 68 HB2 ASP 68 -11.084 8.614 -0.540 490 HB3 ASP 68 HB1 ASP 68 -11.210 7.229 -1.601 491 H CYS 69 HN CYS 69 -11.265 5.992 2.336 492 HA CYS 69 HA CYS 69 -10.110 8.085 4.033 493 HB2 CYS 69 HB2 CYS 69 -11.878 6.421 5.461 494 HB3 CYS 69 HB1 CYS 69 -12.170 8.073 4.945 495 HG CYS 69 HG CYS 69 -13.026 6.948 2.321 496 H GLY 70 HN GLY 70 -9.269 7.247 6.195 497 HA2 GLY 70 HA2 GLY 70 -7.430 5.102 5.659 498 HA3 GLY 70 HA1 GLY 70 -7.565 5.997 7.170 499 H SER 71 HN SER 71 -9.290 3.668 5.217 500 HA SER 71 HA SER 71 -9.529 1.893 7.532 501 HB2 SER 71 HB2 SER 71 -11.646 2.394 5.417 502 HB3 SER 71 HB1 SER 71 -11.757 1.208 6.718 503 HG SER 71 HG SER 71 -11.507 3.077 8.168 504 H MET 72 HN MET 72 -9.096 -0.280 6.949 505 HA MET 72 HA MET 72 -7.486 -0.334 4.565 506 HB2 MET 72 HB2 MET 72 -7.958 -2.550 6.545 507 HB3 MET 72 HB1 MET 72 -6.745 -2.511 5.270 508 HG2 MET 72 HG2 MET 72 -5.661 -0.616 6.326 509 HG3 MET 72 HG1 MET 72 -6.887 -0.606 7.590 510 HE1 MET 72 HE1 MET 72 -3.818 -0.605 8.241 511 HE2 MET 72 HE2 MET 72 -3.716 -1.826 9.511 512 HE3 MET 72 HE3 MET 72 -5.055 -0.679 9.497 513 H THR 73 HN THR 73 -8.215 -0.740 2.713 514 HA THR 73 HA THR 73 -10.641 -2.324 2.350 515 HB THR 73 HB THR 73 -10.612 -0.019 1.437 516 HG1 THR 73 HG1 THR 73 -11.435 -0.606 -0.585 517 HG21 THR 73 HG21 THR 73 -9.229 0.550 -0.449 518 HG22 THR 73 HG22 THR 73 -8.500 -1.061 -0.452 519 HG23 THR 73 HG23 THR 73 -8.197 0.043 0.892 520 H SER 74 HN SER 74 -10.678 -3.893 0.594 521 HA SER 74 HA SER 74 -8.110 -5.249 0.444 522 HB2 SER 74 HB2 SER 74 -9.468 -7.214 -0.247 523 HB3 SER 74 HB1 SER 74 -9.986 -6.541 1.300 524 HG SER 74 HG SER 74 -11.207 -5.645 -1.060 525 H CYS 75 HN CYS 75 -6.921 -4.918 -1.276 526 HA CYS 75 HA CYS 75 -8.112 -4.993 -3.945 527 HB2 CYS 75 HB2 CYS 75 -7.963 -2.608 -3.372 528 HB3 CYS 75 HB1 CYS 75 -6.259 -2.807 -3.000 529 HG CYS 75 HG CYS 75 -6.891 -1.471 -5.531 530 H ARG 76 HN ARG 76 -6.611 -5.698 -5.576 531 HA ARG 76 HA ARG 76 -4.953 -7.682 -4.429 532 HB2 ARG 76 HB2 ARG 76 -5.666 -6.976 -7.196 533 HB3 ARG 76 HB1 ARG 76 -4.286 -8.013 -6.923 534 HG2 ARG 76 HG2 ARG 76 -6.063 -9.473 -7.168 535 HG3 ARG 76 HG1 ARG 76 -5.814 -9.356 -5.429 536 HD2 ARG 76 HD2 ARG 76 -8.050 -9.059 -5.490 537 HD3 ARG 76 HD1 ARG 76 -7.499 -7.402 -5.663 538 HE ARG 76 HE ARG 76 -7.766 -7.791 -8.138 539 HH11 ARG 76 HH11 ARG 76 -9.758 -9.374 -5.737 540 HH12 ARG 76 HH12 ARG 76 -11.078 -9.663 -6.832 541 HH21 ARG 76 HH21 ARG 76 -9.483 -8.144 -9.574 542 HH22 ARG 76 HH22 ARG 76 -10.913 -8.973 -9.027 543 H GLY 77 HN GLY 77 -2.972 -7.661 -3.891 544 HA2 GLY 77 HA2 GLY 77 -0.709 -7.089 -5.094 545 HA3 GLY 77 HA1 GLY 77 -1.186 -5.468 -4.612 546 H SER 78 HN SER 78 0.096 -8.471 -3.546 547 HA SER 78 HA SER 78 0.656 -7.276 -0.979 548 HB2 SER 78 HB2 SER 78 -1.386 -9.436 -1.334 549 HB3 SER 78 HB1 SER 78 -0.439 -9.381 0.148 550 HG SER 78 HG SER 78 -1.589 -7.002 -0.744 551 H VAL 79 HN VAL 79 2.191 -8.176 0.191 552 HA VAL 79 HA VAL 79 4.157 -9.529 -1.264 553 HB VAL 79 HB VAL 79 3.940 -8.860 1.657 554 HG11 VAL 79 HG11 VAL 79 5.456 -10.776 1.363 555 HG12 VAL 79 HG12 VAL 79 6.326 -9.323 1.849 556 HG13 VAL 79 HG13 VAL 79 6.371 -9.858 0.167 557 HG21 VAL 79 HG21 VAL 79 4.034 -6.933 0.220 558 HG22 VAL 79 HG22 VAL 79 5.429 -7.591 -0.634 559 HG23 VAL 79 HG23 VAL 79 5.580 -7.108 1.055 560 H SER 80 HN SER 80 3.808 -11.574 -1.887 561 HA SER 80 HA SER 80 2.285 -13.418 -0.331 562 HB2 SER 80 HB2 SER 80 2.966 -15.030 -2.160 563 HB3 SER 80 HB1 SER 80 2.096 -13.591 -2.692 564 HG SER 80 HG SER 80 3.744 -13.360 -3.987 565 H GLY 81 HN GLY 81 5.689 -13.210 -1.299 566 HA2 GLY 81 HA2 GLY 81 6.369 -15.121 0.844 567 HA3 GLY 81 HA1 GLY 81 7.354 -14.830 -0.581 568 HA PRO 82 HA PRO 82 9.285 -12.007 2.284 569 HB2 PRO 82 HB2 PRO 82 11.787 -12.587 1.115 570 HB3 PRO 82 HB1 PRO 82 11.141 -13.232 2.626 571 HG2 PRO 82 HG2 PRO 82 11.611 -14.701 0.328 572 HG3 PRO 82 HG1 PRO 82 10.559 -15.206 1.650 573 HD2 PRO 82 HD2 PRO 82 9.842 -13.930 -0.954 574 HD3 PRO 82 HD1 PRO 82 9.010 -15.226 -0.059 575 H SER 83 HN SER 83 9.075 -9.930 1.798 576 HA SER 83 HA SER 83 9.590 -8.958 -0.887 577 HB2 SER 83 HB2 SER 83 7.610 -8.208 0.436 578 HB3 SER 83 HB1 SER 83 8.706 -7.449 1.588 579 HG SER 83 HG SER 83 9.505 -6.243 -0.329 580 H THR 84 HN THR 84 11.772 -8.912 -1.254 581 HA THR 84 HA THR 84 13.695 -8.042 0.633 582 HB THR 84 HB THR 84 14.757 -7.570 -1.916 583 HG1 THR 84 HG1 THR 84 12.955 -8.553 -2.872 584 HG21 THR 84 HG21 THR 84 15.952 -9.692 -1.491 585 HG22 THR 84 HG22 THR 84 14.833 -10.038 -0.171 586 HG23 THR 84 HG23 THR 84 15.916 -8.651 -0.069 587 H SER 85 HN SER 85 12.534 -6.387 -2.351 588 HA SER 85 HA SER 85 13.455 -3.843 -1.550 589 HB2 SER 85 HB2 SER 85 12.764 -3.657 -3.767 590 HB3 SER 85 HB1 SER 85 11.400 -4.757 -3.557 591 HG SER 85 HG SER 85 11.490 -2.248 -2.269 592 H HIS 86 HN HIS 86 12.805 -2.767 0.272 593 HA HIS 86 HA HIS 86 10.144 -1.922 0.333 594 HB2 HIS 86 HB2 HIS 86 9.257 -2.888 2.295 595 HB3 HIS 86 HB1 HIS 86 9.748 -4.185 1.231 596 HD1 HIS 86 HD1 HIS 86 11.726 -5.668 1.966 597 HD2 HIS 86 HD2 HIS 86 10.670 -2.768 4.745 598 HE1 HIS 86 HE1 HIS 86 12.918 -6.303 4.073 599 HE2 HIS 86 HE2 HIS 86 12.465 -4.389 5.661 600 H LEU 87 HN LEU 87 9.672 -0.369 1.837 601 HA LEU 87 HA LEU 87 11.817 0.392 3.691 602 HB2 LEU 87 HB2 LEU 87 10.149 2.202 1.949 603 HB3 LEU 87 HB1 LEU 87 11.080 2.788 3.313 604 HG LEU 87 HG LEU 87 12.936 1.339 1.855 605 HD11 LEU 87 HD11 LEU 87 11.150 2.811 -0.060 606 HD12 LEU 87 HD12 LEU 87 11.448 1.074 -0.007 607 HD13 LEU 87 HD13 LEU 87 12.752 2.179 -0.439 608 HD21 LEU 87 HD21 LEU 87 13.366 3.451 2.942 609 HD22 LEU 87 HD22 LEU 87 12.356 4.290 1.770 610 HD23 LEU 87 HD23 LEU 87 13.857 3.530 1.251 611 H THR 88 HN THR 88 11.076 0.139 5.692 612 HA THR 88 HA THR 88 8.227 -0.018 6.162 613 HB THR 88 HB THR 88 10.375 -0.078 8.258 614 HG1 THR 88 HG1 THR 88 10.977 -1.925 7.415 615 HG21 THR 88 HG21 THR 88 8.198 0.169 9.187 616 HG22 THR 88 HG22 THR 88 8.711 -1.507 9.432 617 HG23 THR 88 HG23 THR 88 7.568 -1.109 8.149 618 H ARG 89 HN ARG 89 7.549 2.083 5.702 619 HA ARG 89 HA ARG 89 8.110 3.900 7.952 620 HB2 ARG 89 HB2 ARG 89 7.117 4.793 5.256 621 HB3 ARG 89 HB1 ARG 89 7.860 5.757 6.515 622 HG2 ARG 89 HG2 ARG 89 9.361 3.627 5.080 623 HG3 ARG 89 HG1 ARG 89 9.226 5.268 4.454 624 HD2 ARG 89 HD2 ARG 89 10.625 4.281 6.905 625 HD3 ARG 89 HD1 ARG 89 11.230 5.297 5.597 626 HE ARG 89 HE ARG 89 9.238 6.316 7.518 627 HH11 ARG 89 HH11 ARG 89 12.340 6.546 5.879 628 HH12 ARG 89 HH12 ARG 89 12.717 8.115 6.528 629 HH21 ARG 89 HH21 ARG 89 9.766 8.356 8.414 630 HH22 ARG 89 HH22 ARG 89 11.272 9.122 8.008 631 HA PRO 90 HA PRO 90 3.682 2.406 7.691 632 HB2 PRO 90 HB2 PRO 90 3.936 1.744 10.501 633 HB3 PRO 90 HB1 PRO 90 3.490 0.705 9.161 634 HG2 PRO 90 HG2 PRO 90 5.870 0.464 10.456 635 HG3 PRO 90 HG1 PRO 90 5.646 0.071 8.746 636 HD2 PRO 90 HD2 PRO 90 6.863 2.488 9.981 637 HD3 PRO 90 HD1 PRO 90 7.334 1.607 8.531 638 H SER 91 HN SER 91 5.270 4.161 10.305 639 HA SER 91 HA SER 91 3.172 5.753 11.194 640 HB2 SER 91 HB2 SER 91 6.017 6.645 10.681 641 HB3 SER 91 HB1 SER 91 4.894 7.312 11.873 642 HG SER 91 HG SER 91 6.476 5.816 12.732 643 H GLU 92 HN GLU 92 5.335 6.068 8.465 644 HA GLU 92 HA GLU 92 4.527 8.697 7.753 645 HB2 GLU 92 HB2 GLU 92 6.299 6.613 6.566 646 HB3 GLU 92 HB1 GLU 92 5.920 8.070 5.654 647 HG2 GLU 92 HG2 GLU 92 7.996 8.412 6.745 648 HG3 GLU 92 HG1 GLU 92 6.797 9.383 7.596 649 H LEU 93 HN LEU 93 3.898 5.473 6.318 650 HA LEU 93 HA LEU 93 2.274 6.380 4.213 651 HB2 LEU 93 HB2 LEU 93 2.416 3.813 5.731 652 HB3 LEU 93 HB1 LEU 93 1.074 4.074 4.645 653 HG LEU 93 HG LEU 93 2.630 2.802 3.435 654 HD11 LEU 93 HD11 LEU 93 3.362 4.288 1.630 655 HD12 LEU 93 HD12 LEU 93 3.015 5.685 2.649 656 HD13 LEU 93 HD13 LEU 93 1.706 4.617 2.138 657 HD21 LEU 93 HD21 LEU 93 4.577 3.085 4.853 658 HD22 LEU 93 HD22 LEU 93 4.775 4.743 4.287 659 HD23 LEU 93 HD23 LEU 93 4.991 3.397 3.166 660 H GLN 94 HN GLN 94 1.393 5.402 7.509 661 HA GLN 94 HA GLN 94 -1.416 5.796 7.165 662 HB2 GLN 94 HB2 GLN 94 -0.118 4.396 8.913 663 HB3 GLN 94 HB1 GLN 94 0.070 5.916 9.773 664 HG2 GLN 94 HG2 GLN 94 -1.744 4.616 10.664 665 HG3 GLN 94 HG1 GLN 94 -2.334 6.124 9.977 666 HE21 GLN 94 HE21 GLN 94 -3.730 6.041 8.224 667 HE22 GLN 94 HE22 GLN 94 -4.460 4.578 7.699 668 H ALA 95 HN ALA 95 1.244 7.833 7.630 669 HA ALA 95 HA ALA 95 -0.040 10.040 8.867 670 HB1 ALA 95 HB1 ALA 95 2.445 9.561 8.733 671 HB2 ALA 95 HB2 ALA 95 1.928 11.228 8.449 672 HB3 ALA 95 HB3 ALA 95 2.354 10.190 7.083 673 H VAL 96 HN VAL 96 0.903 9.349 5.492 674 HA VAL 96 HA VAL 96 -0.386 11.662 4.470 675 HB VAL 96 HB VAL 96 0.831 11.158 2.682 676 HG11 VAL 96 HG11 VAL 96 2.196 9.693 4.093 677 HG12 VAL 96 HG12 VAL 96 2.111 9.128 2.418 678 HG13 VAL 96 HG13 VAL 96 1.148 8.336 3.672 679 HG21 VAL 96 HG21 VAL 96 0.052 9.471 1.109 680 HG22 VAL 96 HG22 VAL 96 -1.302 10.373 1.800 681 HG23 VAL 96 HG23 VAL 96 -0.938 8.743 2.376 682 H ILE 97 HN ILE 97 -1.367 8.358 5.118 683 HA ILE 97 HA ILE 97 -3.897 8.503 3.988 684 HB ILE 97 HB ILE 97 -2.884 7.167 6.474 685 HG12 ILE 97 HG12 ILE 97 -4.107 5.771 4.155 686 HG13 ILE 97 HG11 ILE 97 -2.520 6.499 3.937 687 HG21 ILE 97 HG21 ILE 97 -5.231 7.790 6.848 688 HG22 ILE 97 HG22 ILE 97 -4.990 6.047 6.742 689 HG23 ILE 97 HG23 ILE 97 -5.673 6.930 5.375 690 HD11 ILE 97 HD11 ILE 97 -1.608 5.177 5.703 691 HD12 ILE 97 HD12 ILE 97 -2.465 4.111 4.590 692 HD13 ILE 97 HD13 ILE 97 -3.203 4.559 6.126 693 H ASP 98 HN ASP 98 -2.888 9.361 7.282 694 HA ASP 98 HA ASP 98 -5.242 10.576 8.111 695 HB2 ASP 98 HB2 ASP 98 -3.436 10.035 9.652 696 HB3 ASP 98 HB1 ASP 98 -2.386 11.222 8.873 697 H SER 99 HN SER 99 -2.451 11.947 6.436 698 HA SER 99 HA SER 99 -3.408 14.654 6.633 699 HB2 SER 99 HB2 SER 99 -1.062 14.331 6.730 700 HB3 SER 99 HB1 SER 99 -1.054 13.373 5.248 701 HG SER 99 HG SER 99 -0.864 15.169 4.164 702 H ASP 100 HN ASP 100 -2.733 12.464 3.899 703 HA ASP 100 HA ASP 100 -4.020 14.131 1.985 704 HB2 ASP 100 HB2 ASP 100 -3.185 11.251 1.840 705 HB3 ASP 100 HB1 ASP 100 -3.880 12.116 0.517 706 H LYS 101 HN LYS 101 -5.345 12.012 4.336 707 HA LYS 101 HA LYS 101 -7.809 11.382 3.191 708 HB2 LYS 101 HB2 LYS 101 -6.737 11.716 5.853 709 HB3 LYS 101 HB1 LYS 101 -8.375 12.360 5.763 710 HG2 LYS 101 HG2 LYS 101 -9.284 10.332 5.643 711 HG3 LYS 101 HG1 LYS 101 -8.042 9.718 4.552 712 HD2 LYS 101 HD2 LYS 101 -7.944 8.528 6.654 713 HD3 LYS 101 HD1 LYS 101 -6.523 9.551 6.484 714 HE2 LYS 101 HE2 LYS 101 -7.170 9.925 8.677 715 HE3 LYS 101 HE1 LYS 101 -7.867 11.284 7.799 716 HZ1 LYS 101 HZ1 LYS 101 -9.323 10.093 9.478 717 HZ2 LYS 101 HZ2 LYS 101 -9.445 8.848 8.335 718 HZ3 LYS 101 HZ3 LYS 101 -9.990 10.407 7.955 719 H SER 102 HN SER 102 -6.481 14.468 4.128 720 HA SER 102 HA SER 102 -8.913 15.958 3.968 721 HB2 SER 102 HB2 SER 102 -6.796 16.731 5.109 722 HB3 SER 102 HB1 SER 102 -6.097 16.972 3.509 723 HG SER 102 HG SER 102 -6.952 18.911 4.224 724 H ASN 103 HN ASN 103 -6.745 14.586 1.731 725 HA ASN 103 HA ASN 103 -7.673 16.133 -0.544 726 HB2 ASN 103 HB2 ASN 103 -5.276 15.444 -0.308 727 HB3 ASN 103 HB1 ASN 103 -5.770 13.758 -0.445 728 HD21 ASN 103 HD21 ASN 103 -3.950 15.246 -2.118 729 HD22 ASN 103 HD22 ASN 103 -4.608 15.223 -3.724 730 H TYR 104 HN TYR 104 -8.017 12.961 0.928 731 HA TYR 104 HA TYR 104 -10.433 12.494 -0.632 732 HB2 TYR 104 HB2 TYR 104 -8.937 10.015 -0.329 733 HB3 TYR 104 HB1 TYR 104 -9.729 10.651 -1.762 734 HD1 TYR 104 HD2 TYR 104 -6.636 11.102 0.278 735 HD2 TYR 104 HD1 TYR 104 -8.436 11.265 -3.570 736 HE1 TYR 104 HE2 TYR 104 -4.439 11.539 -0.712 737 HE2 TYR 104 HE1 TYR 104 -6.252 11.703 -4.584 738 HH TYR 104 HH TYR 104 -3.313 11.323 -2.851 739 H CYS 105 HN CYS 105 -11.828 12.250 0.943 740 HA CYS 105 HA CYS 105 -11.690 9.846 2.435 741 HB2 CYS 105 HB2 CYS 105 -10.574 10.977 4.125 742 HB3 CYS 105 HB1 CYS 105 -11.429 12.485 3.833 743 HG CYS 105 HG CYS 105 -13.620 10.230 4.766 744 H THR 106 HN THR 106 -13.664 9.005 2.290 745 HA THR 106 HA THR 106 -15.911 10.837 1.979 746 HB THR 106 HB THR 106 -17.210 8.734 1.466 747 HG1 THR 106 HG1 THR 106 -14.632 7.532 1.224 748 HG21 THR 106 HG21 THR 106 -16.321 10.197 -0.276 749 HG22 THR 106 HG22 THR 106 -16.299 8.505 -0.773 750 HG23 THR 106 HG23 THR 106 -14.806 9.292 -0.259 751 H ASP 107 HN ASP 107 -17.785 10.675 3.294 752 HA ASP 107 HA ASP 107 -17.251 10.134 6.034 753 HB2 ASP 107 HB2 ASP 107 -18.790 11.891 5.554 754 HB3 ASP 107 HB1 ASP 107 -19.779 10.840 4.544 755 H LYS 108 HN LYS 108 -19.486 8.637 3.696 756 HA LYS 108 HA LYS 108 -18.908 6.058 4.873 757 HB2 LYS 108 HB2 LYS 108 -20.754 6.657 6.245 758 HB3 LYS 108 HB1 LYS 108 -21.667 7.226 4.861 759 HG2 LYS 108 HG2 LYS 108 -22.572 5.129 5.561 760 HG3 LYS 108 HG1 LYS 108 -21.765 4.900 4.013 761 HD2 LYS 108 HD2 LYS 108 -19.813 3.937 5.175 762 HD3 LYS 108 HD1 LYS 108 -20.638 4.177 6.726 763 HE2 LYS 108 HE2 LYS 108 -22.522 2.762 5.766 764 HE3 LYS 108 HE1 LYS 108 -21.408 2.348 4.465 765 HZ1 LYS 108 HZ1 LYS 108 -19.857 1.534 6.206 766 HZ2 LYS 108 HZ2 LYS 108 -21.304 0.657 6.110 767 HZ3 LYS 108 HZ3 LYS 108 -21.076 1.781 7.358 768 H SER 109 HN SER 109 -17.898 5.832 2.800 769 HA SER 109 HA SER 109 -19.849 4.879 0.815 770 HB2 SER 109 HB2 SER 109 -17.820 4.485 -0.597 771 HB3 SER 109 HB1 SER 109 -17.982 6.175 -0.118 772 HG SER 109 HG SER 109 -16.126 6.016 0.837 773 H GLU 110 HN GLU 110 -18.533 4.105 3.578 774 HA GLU 110 HA GLU 110 -18.063 2.300 4.809 775 HB2 GLU 110 HB2 GLU 110 -19.946 1.186 3.590 776 HB3 GLU 110 HB1 GLU 110 -18.787 0.614 2.398 777 HG2 GLU 110 HG2 GLU 110 -17.674 -0.735 4.029 778 HG3 GLU 110 HG1 GLU 110 -18.640 -0.041 5.332 779 H GLN 111 HN GLN 111 -17.172 1.199 1.573 780 HA GLN 111 HA GLN 111 -14.646 2.198 1.330 781 HB2 GLN 111 HB2 GLN 111 -13.142 0.335 1.814 782 HB3 GLN 111 HB1 GLN 111 -13.971 0.840 3.280 783 HG2 GLN 111 HG2 GLN 111 -15.495 -1.036 3.109 784 HG3 GLN 111 HG1 GLN 111 -14.738 -1.535 1.597 785 HE21 GLN 111 HE21 GLN 111 -14.189 -3.540 2.453 786 HE22 GLN 111 HE22 GLN 111 -12.891 -3.733 3.582 787 H GLN 112 HN GLN 112 -13.386 0.778 -0.409 788 HA GLN 112 HA GLN 112 -15.510 -0.201 -2.212 789 HB2 GLN 112 HB2 GLN 112 -12.989 1.302 -2.918 790 HB3 GLN 112 HB1 GLN 112 -14.222 0.766 -4.052 791 HG2 GLN 112 HG2 GLN 112 -15.818 2.273 -3.180 792 HG3 GLN 112 HG1 GLN 112 -14.810 2.639 -1.780 793 HE21 GLN 112 HE21 GLN 112 -13.058 4.021 -2.002 794 HE22 GLN 112 HE22 GLN 112 -12.884 5.045 -3.394 795 HA PRO 113 HA PRO 113 -12.414 -3.655 -2.105 796 HB2 PRO 113 HB2 PRO 113 -14.496 -5.448 -1.284 797 HB3 PRO 113 HB1 PRO 113 -13.060 -4.970 -0.378 798 HG2 PRO 113 HG2 PRO 113 -15.645 -4.305 0.313 799 HG3 PRO 113 HG1 PRO 113 -14.199 -3.425 0.839 800 HD2 PRO 113 HD2 PRO 113 -16.131 -2.771 -1.347 801 HD3 PRO 113 HD1 PRO 113 -15.296 -1.687 -0.214 802 H SER 114 HN SER 114 -15.428 -2.874 -3.384 803 HA SER 114 HA SER 114 -15.056 -4.748 -5.620 804 HB2 SER 114 HB2 SER 114 -17.709 -3.731 -4.560 805 HB3 SER 114 HB1 SER 114 -17.467 -4.914 -5.845 806 HG SER 114 HG SER 114 -16.720 -6.375 -4.362 807 H GLN 115 HN GLN 115 -13.872 -2.229 -5.469 808 HA GLN 115 HA GLN 115 -15.366 -0.118 -6.548 809 HB2 GLN 115 HB2 GLN 115 -13.190 0.218 -5.501 810 HB3 GLN 115 HB1 GLN 115 -12.410 -0.706 -6.777 811 HG2 GLN 115 HG2 GLN 115 -12.960 0.978 -8.400 812 HG3 GLN 115 HG1 GLN 115 -13.898 1.875 -7.206 813 HE21 GLN 115 HE21 GLN 115 -12.849 3.074 -5.653 814 HE22 GLN 115 HE22 GLN 115 -11.162 3.440 -5.742 815 H ALA 116 HN ALA 116 -13.536 -2.704 -8.107 816 HA ALA 116 HA ALA 116 -14.334 -1.752 -10.751 817 HB1 ALA 116 HB1 ALA 116 -12.026 -2.495 -10.455 818 HB2 ALA 116 HB2 ALA 116 -12.877 -3.518 -11.610 819 HB3 ALA 116 HB3 ALA 116 -12.593 -4.092 -9.967 820 H THR 117 HN THR 117 -16.089 -3.014 -8.599 821 HA THR 117 HA THR 117 -17.383 -4.989 -10.353 822 HB THR 117 HB THR 117 -17.307 -5.234 -7.339 823 HG1 THR 117 HG1 THR 117 -15.700 -6.552 -9.302 824 HG21 THR 117 HG21 THR 117 -18.060 -7.206 -9.505 825 HG22 THR 117 HG22 THR 117 -19.192 -6.333 -8.472 826 HG23 THR 117 HG23 THR 117 -18.086 -7.512 -7.766 827 HA PRO 118 HA PRO 118 -20.000 -1.285 -9.748 828 HB2 PRO 118 HB2 PRO 118 -21.943 -2.320 -11.499 829 HB3 PRO 118 HB1 PRO 118 -20.647 -1.195 -11.906 830 HG2 PRO 118 HG2 PRO 118 -20.767 -4.153 -12.246 831 HG3 PRO 118 HG1 PRO 118 -20.001 -2.929 -13.276 832 HD2 PRO 118 HD2 PRO 118 -18.538 -4.489 -11.686 833 HD3 PRO 118 HD1 PRO 118 -18.127 -2.775 -11.908 834 HA PRO 119 HA PRO 119 -23.156 -3.167 -7.131 835 HB2 PRO 119 HB2 PRO 119 -22.643 -1.582 -4.981 836 HB3 PRO 119 HB1 PRO 119 -21.735 -3.058 -5.316 837 HG2 PRO 119 HG2 PRO 119 -20.836 -0.299 -5.446 838 HG3 PRO 119 HG1 PRO 119 -19.880 -1.784 -5.572 839 HD2 PRO 119 HD2 PRO 119 -20.916 -0.047 -7.706 840 HD3 PRO 119 HD1 PRO 119 -19.633 -1.275 -7.774 841 HA PRO 120 HA PRO 120 -25.276 0.665 -8.490 842 HB2 PRO 120 HB2 PRO 120 -27.322 -0.749 -9.781 843 HB3 PRO 120 HB1 PRO 120 -25.864 -0.101 -10.530 844 HG2 PRO 120 HG2 PRO 120 -26.544 -2.829 -10.205 845 HG3 PRO 120 HG1 PRO 120 -25.003 -2.172 -10.774 846 HD2 PRO 120 HD2 PRO 120 -25.754 -3.184 -8.090 847 HD3 PRO 120 HD1 PRO 120 -24.167 -3.154 -8.888 848 H GLU 121 HN GLU 121 -25.913 -1.297 -6.060 849 HA GLU 121 HA GLU 121 -27.412 -1.352 -4.353 850 HB2 GLU 121 HB2 GLU 121 -28.392 1.202 -5.645 851 HB3 GLU 121 HB1 GLU 121 -28.892 0.628 -4.060 852 HG2 GLU 121 HG2 GLU 121 -26.677 0.887 -3.195 853 HG3 GLU 121 HG1 GLU 121 -26.044 1.252 -4.801 854 H ILE 122 HN ILE 122 -30.125 -0.718 -4.192 855 HA ILE 122 HA ILE 122 -31.534 -1.734 -6.463 856 HB ILE 122 HB ILE 122 -30.760 -3.869 -5.707 857 HG12 ILE 122 HG12 ILE 122 -32.903 -4.993 -5.103 858 HG13 ILE 122 HG11 ILE 122 -33.623 -3.405 -4.856 859 HG21 ILE 122 HG21 ILE 122 -31.131 -4.727 -3.460 860 HG22 ILE 122 HG22 ILE 122 -31.839 -3.183 -2.980 861 HG23 ILE 122 HG23 ILE 122 -30.134 -3.272 -3.430 862 HD11 ILE 122 HD11 ILE 122 -32.504 -4.453 -7.443 863 HD12 ILE 122 HD12 ILE 122 -33.225 -2.862 -7.198 864 HD13 ILE 122 HD13 ILE 122 -34.213 -4.313 -7.026 865 HA PRO 123 HA PRO 123 -34.442 0.807 -4.155 866 HB2 PRO 123 HB2 PRO 123 -36.027 0.714 -6.601 867 HB3 PRO 123 HB1 PRO 123 -35.247 2.100 -5.836 868 HG2 PRO 123 HG2 PRO 123 -34.397 1.064 -8.189 869 HG3 PRO 123 HG1 PRO 123 -33.298 1.828 -7.026 870 HD2 PRO 123 HD2 PRO 123 -33.824 -1.087 -7.501 871 HD3 PRO 123 HD1 PRO 123 -32.277 -0.249 -7.244 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 -0.695 11.697 -6.635 2 H2 ALA 1 HT2 ALA 1 -1.932 12.674 -6.009 3 H3 ALA 1 HT3 ALA 1 -1.919 12.270 -7.654 4 HA ALA 1 HA ALA 1 -2.300 9.955 -7.152 5 HB1 ALA 1 HB1 ALA 1 -2.613 9.169 -4.939 6 HB2 ALA 1 HB2 ALA 1 -2.520 10.803 -4.275 7 HB3 ALA 1 HB3 ALA 1 -1.084 10.049 -4.973 8 HA PRO 2 HA PRO 2 -6.521 11.259 -7.494 9 HB2 PRO 2 HB2 PRO 2 -7.125 8.460 -7.898 10 HB3 PRO 2 HB1 PRO 2 -7.195 9.789 -9.040 11 HG2 PRO 2 HG2 PRO 2 -5.344 7.848 -9.263 12 HG3 PRO 2 HG1 PRO 2 -4.979 9.535 -9.682 13 HD2 PRO 2 HD2 PRO 2 -4.391 8.079 -7.122 14 HD3 PRO 2 HD1 PRO 2 -3.302 9.072 -8.117 15 H THR 3 HN THR 3 -5.579 8.501 -5.529 16 HA THR 3 HA THR 3 -7.821 9.096 -3.750 17 HB THR 3 HB THR 3 -8.222 6.707 -3.393 18 HG1 THR 3 HG1 THR 3 -7.132 5.576 -5.486 19 HG21 THR 3 HG21 THR 3 -9.276 6.221 -5.581 20 HG22 THR 3 HG22 THR 3 -8.385 7.576 -6.288 21 HG23 THR 3 HG23 THR 3 -9.593 7.866 -5.031 22 H LEU 4 HN LEU 4 -7.492 7.853 -1.585 23 HA LEU 4 HA LEU 4 -5.159 9.014 -0.548 24 HB2 LEU 4 HB2 LEU 4 -7.183 8.853 0.755 25 HB3 LEU 4 HB1 LEU 4 -7.109 7.101 0.712 26 HG LEU 4 HG LEU 4 -4.934 7.274 1.990 27 HD11 LEU 4 HD11 LEU 4 -4.658 9.432 3.232 28 HD12 LEU 4 HD12 LEU 4 -5.860 10.132 2.142 29 HD13 LEU 4 HD13 LEU 4 -4.329 9.527 1.497 30 HD21 LEU 4 HD21 LEU 4 -7.413 8.371 3.308 31 HD22 LEU 4 HD22 LEU 4 -6.024 7.661 4.134 32 HD23 LEU 4 HD23 LEU 4 -7.026 6.665 3.080 33 H GLN 5 HN GLN 5 -5.877 5.686 -1.454 34 HA GLN 5 HA GLN 5 -3.558 4.573 -0.250 35 HB2 GLN 5 HB2 GLN 5 -5.643 3.332 -0.918 36 HB3 GLN 5 HB1 GLN 5 -5.086 3.442 -2.580 37 HG2 GLN 5 HG2 GLN 5 -3.261 2.299 -0.536 38 HG3 GLN 5 HG1 GLN 5 -4.610 1.325 -1.105 39 HE21 GLN 5 HE21 GLN 5 -1.738 0.913 -1.428 40 HE22 GLN 5 HE22 GLN 5 -1.455 0.837 -3.130 41 H GLU 6 HN GLU 6 -4.184 6.020 -3.414 42 HA GLU 6 HA GLU 6 -1.607 5.272 -4.434 43 HB2 GLU 6 HB2 GLU 6 -3.458 5.757 -5.988 44 HB3 GLU 6 HB1 GLU 6 -3.472 7.424 -5.431 45 HG2 GLU 6 HG2 GLU 6 -1.696 7.992 -6.631 46 HG3 GLU 6 HG1 GLU 6 -0.875 6.466 -6.367 47 H ALA 7 HN ALA 7 -2.889 7.837 -2.506 48 HA ALA 7 HA ALA 7 -0.674 9.619 -2.698 49 HB1 ALA 7 HB1 ALA 7 -2.770 10.350 -1.705 50 HB2 ALA 7 HB2 ALA 7 -1.470 10.483 -0.518 51 HB3 ALA 7 HB3 ALA 7 -2.617 9.145 -0.422 52 H LEU 8 HN LEU 8 -1.368 6.724 -0.895 53 HA LEU 8 HA LEU 8 0.971 6.704 0.678 54 HB2 LEU 8 HB2 LEU 8 -0.767 4.496 -0.315 55 HB3 LEU 8 HB1 LEU 8 0.558 4.257 0.799 56 HG LEU 8 HG LEU 8 -2.049 5.621 1.251 57 HD11 LEU 8 HD11 LEU 8 -0.464 3.571 2.785 58 HD12 LEU 8 HD12 LEU 8 -1.791 3.216 1.679 59 HD13 LEU 8 HD13 LEU 8 -2.097 4.126 3.156 60 HD21 LEU 8 HD21 LEU 8 -0.545 7.233 2.091 61 HD22 LEU 8 HD22 LEU 8 0.503 5.990 2.777 62 HD23 LEU 8 HD23 LEU 8 -1.086 6.284 3.479 63 H ASP 9 HN ASP 9 0.132 5.138 -2.366 64 HA ASP 9 HA ASP 9 2.533 3.955 -3.088 65 HB2 ASP 9 HB2 ASP 9 0.499 3.571 -4.320 66 HB3 ASP 9 HB1 ASP 9 0.324 5.277 -4.704 67 H ARG 10 HN ARG 10 1.488 7.261 -3.173 68 HA ARG 10 HA ARG 10 3.629 8.324 -4.752 69 HB2 ARG 10 HB2 ARG 10 1.258 9.181 -4.479 70 HB3 ARG 10 HB1 ARG 10 1.708 9.714 -2.871 71 HG2 ARG 10 HG2 ARG 10 3.092 11.376 -3.690 72 HG3 ARG 10 HG1 ARG 10 3.173 10.655 -5.304 73 HD2 ARG 10 HD2 ARG 10 0.745 11.066 -5.533 74 HD3 ARG 10 HD1 ARG 10 0.764 11.895 -3.984 75 HE ARG 10 HE ARG 10 2.149 12.834 -6.420 76 HH11 ARG 10 HH11 ARG 10 0.610 13.433 -3.323 77 HH12 ARG 10 HH12 ARG 10 0.763 15.163 -3.433 78 HH21 ARG 10 HH21 ARG 10 2.311 15.120 -6.582 79 HH22 ARG 10 HH22 ARG 10 1.745 16.125 -5.278 80 H LYS 11 HN LYS 11 2.914 7.975 -1.327 81 HA LYS 11 HA LYS 11 5.219 9.302 -0.318 82 HB2 LYS 11 HB2 LYS 11 3.205 8.828 1.013 83 HB3 LYS 11 HB1 LYS 11 3.562 7.117 0.895 84 HG2 LYS 11 HG2 LYS 11 4.263 8.095 3.033 85 HG3 LYS 11 HG1 LYS 11 5.592 7.397 2.124 86 HD2 LYS 11 HD2 LYS 11 6.302 9.480 3.051 87 HD3 LYS 11 HD1 LYS 11 6.176 9.634 1.298 88 HE2 LYS 11 HE2 LYS 11 4.285 10.915 1.414 89 HE3 LYS 11 HE1 LYS 11 3.866 10.342 3.013 90 HZ1 LYS 11 HZ1 LYS 11 5.918 11.557 3.797 91 HZ2 LYS 11 HZ2 LYS 11 4.607 12.518 3.325 92 HZ3 LYS 11 HZ3 LYS 11 5.929 12.330 2.284 93 H CYS 12 HN CYS 12 4.324 6.023 -1.047 94 HA CYS 12 HA CYS 12 6.639 4.636 -0.484 95 HB2 CYS 12 HB2 CYS 12 4.500 4.230 -2.563 96 HB3 CYS 12 HB1 CYS 12 5.738 3.040 -2.240 97 HG CYS 12 HG CYS 12 3.344 4.124 -0.080 98 H ALA 13 HN ALA 13 5.818 6.562 -3.289 99 HA ALA 13 HA ALA 13 8.023 5.725 -4.893 100 HB1 ALA 13 HB1 ALA 13 6.251 6.636 -6.094 101 HB2 ALA 13 HB2 ALA 13 7.441 7.938 -6.099 102 HB3 ALA 13 HB3 ALA 13 6.059 8.003 -4.993 103 H GLN 14 HN GLN 14 7.534 8.027 -2.367 104 HA GLN 14 HA GLN 14 9.748 9.719 -2.945 105 HB2 GLN 14 HB2 GLN 14 8.015 9.347 -0.529 106 HB3 GLN 14 HB1 GLN 14 9.328 10.521 -0.589 107 HG2 GLN 14 HG2 GLN 14 8.254 11.538 -2.561 108 HG3 GLN 14 HG1 GLN 14 6.907 10.427 -2.357 109 HE21 GLN 14 HE21 GLN 14 8.679 11.913 0.274 110 HE22 GLN 14 HE22 GLN 14 7.380 12.918 0.837 111 H PHE 15 HN PHE 15 9.261 6.836 -1.087 112 HA PHE 15 HA PHE 15 11.947 7.017 0.070 113 HB2 PHE 15 HB2 PHE 15 9.795 4.956 0.558 114 HB3 PHE 15 HB1 PHE 15 11.294 5.131 1.463 115 HD1 PHE 15 HD2 PHE 15 11.567 7.783 2.229 116 HD2 PHE 15 HD1 PHE 15 7.969 5.590 1.709 117 HE1 PHE 15 HE2 PHE 15 10.416 9.319 3.764 118 HE2 PHE 15 HE1 PHE 15 6.808 7.117 3.226 119 HZ PHE 15 HZ PHE 15 8.031 8.982 4.259 120 H GLY 16 HN GLY 16 9.937 4.739 -1.773 121 HA2 GLY 16 HA2 GLY 16 11.837 2.744 -2.184 122 HA3 GLY 16 HA1 GLY 16 10.468 3.074 -3.229 123 H LYS 17 HN LYS 17 10.855 5.251 -4.503 124 HA LYS 17 HA LYS 17 12.945 4.477 -6.271 125 HB2 LYS 17 HB2 LYS 17 11.283 6.970 -6.447 126 HB3 LYS 17 HB1 LYS 17 12.082 6.091 -7.746 127 HG2 LYS 17 HG2 LYS 17 9.763 5.086 -6.120 128 HG3 LYS 17 HG1 LYS 17 9.675 5.731 -7.752 129 HD2 LYS 17 HD2 LYS 17 11.338 3.891 -8.382 130 HD3 LYS 17 HD1 LYS 17 10.949 3.170 -6.815 131 HE2 LYS 17 HE2 LYS 17 9.570 2.182 -8.526 132 HE3 LYS 17 HE1 LYS 17 8.569 3.157 -7.452 133 HZ1 LYS 17 HZ1 LYS 17 9.602 4.098 -10.075 134 HZ2 LYS 17 HZ2 LYS 17 8.482 4.891 -9.073 135 HZ3 LYS 17 HZ3 LYS 17 8.054 3.444 -9.842 136 H GLU 18 HN GLU 18 12.606 6.825 -3.737 137 HA GLU 18 HA GLU 18 14.860 8.403 -4.213 138 HB2 GLU 18 HB2 GLU 18 13.476 8.921 -2.351 139 HB3 GLU 18 HB1 GLU 18 13.684 7.323 -1.646 140 HG2 GLU 18 HG2 GLU 18 16.108 7.893 -1.336 141 HG3 GLU 18 HG1 GLU 18 15.719 9.535 -1.850 142 H SER 19 HN SER 19 14.573 5.261 -2.606 143 HA SER 19 HA SER 19 17.295 4.721 -2.273 144 HB2 SER 19 HB2 SER 19 15.094 2.736 -2.838 145 HB3 SER 19 HB1 SER 19 16.633 2.414 -2.029 146 HG SER 19 HG SER 19 14.480 4.017 -1.088 147 H CYS 20 HN CYS 20 15.104 4.141 -4.957 148 HA CYS 20 HA CYS 20 16.877 2.805 -6.664 149 HB2 CYS 20 HB2 CYS 20 14.908 2.678 -7.722 150 HB3 CYS 20 HB1 CYS 20 14.267 4.041 -6.824 151 HG CYS 20 HG CYS 20 16.138 4.296 -9.690 152 H ASN 21 HN ASN 21 16.341 6.246 -6.087 153 HA ASN 21 HA ASN 21 18.108 7.160 -8.128 154 HB2 ASN 21 HB2 ASN 21 16.753 8.416 -5.781 155 HB3 ASN 21 HB1 ASN 21 18.085 9.269 -6.552 156 HD21 ASN 21 HD21 ASN 21 14.845 8.063 -6.947 157 HD22 ASN 21 HD22 ASN 21 14.473 8.970 -8.375 158 H SER 22 HN SER 22 18.520 6.106 -4.853 159 HA SER 22 HA SER 22 21.166 7.149 -4.553 160 HB2 SER 22 HB2 SER 22 19.751 6.756 -2.612 161 HB3 SER 22 HB1 SER 22 19.698 5.032 -2.976 162 HG SER 22 HG SER 22 22.251 5.847 -2.867 163 H GLY 23 HN GLY 23 19.785 4.334 -5.988 164 HA2 GLY 23 HA2 GLY 23 21.533 3.355 -7.577 165 HA3 GLY 23 HA1 GLY 23 22.447 3.067 -6.106 166 H LEU 24 HN LEU 24 19.251 2.664 -5.343 167 HA LEU 24 HA LEU 24 19.508 -0.179 -5.239 168 HB2 LEU 24 HB2 LEU 24 17.740 1.806 -4.137 169 HB3 LEU 24 HB1 LEU 24 16.810 0.495 -4.833 170 HG LEU 24 HG LEU 24 17.464 0.342 -2.353 171 HD11 LEU 24 HD11 LEU 24 17.764 -2.091 -2.521 172 HD12 LEU 24 HD12 LEU 24 18.016 -1.918 -4.258 173 HD13 LEU 24 HD13 LEU 24 16.460 -1.489 -3.544 174 HD21 LEU 24 HD21 LEU 24 19.800 0.935 -2.587 175 HD22 LEU 24 HD22 LEU 24 20.062 -0.446 -3.658 176 HD23 LEU 24 HD23 LEU 24 19.652 -0.708 -1.959 177 H ALA 25 HN ALA 25 19.611 -1.128 -7.105 178 HA ALA 25 HA ALA 25 18.380 -0.490 -9.509 179 HB1 ALA 25 HB1 ALA 25 19.106 -3.228 -8.516 180 HB2 ALA 25 HB2 ALA 25 20.235 -2.073 -9.235 181 HB3 ALA 25 HB3 ALA 25 18.915 -2.734 -10.199 182 H SER 26 HN SER 26 17.215 -2.284 -6.796 183 HA SER 26 HA SER 26 15.123 -3.705 -7.822 184 HB2 SER 26 HB2 SER 26 15.384 -2.330 -5.222 185 HB3 SER 26 HB1 SER 26 14.201 -3.585 -5.559 186 HG SER 26 HG SER 26 15.896 -5.031 -5.882 187 H TYR 27 HN TYR 27 14.789 -0.473 -6.294 188 HA TYR 27 HA TYR 27 12.078 -0.217 -7.172 189 HB2 TYR 27 HB2 TYR 27 13.813 2.083 -6.227 190 HB3 TYR 27 HB1 TYR 27 12.066 1.896 -6.110 191 HD1 TYR 27 HD2 TYR 27 11.150 0.074 -4.614 192 HD2 TYR 27 HD1 TYR 27 15.202 1.387 -4.449 193 HE1 TYR 27 HE2 TYR 27 11.371 -0.947 -2.399 194 HE2 TYR 27 HE1 TYR 27 15.439 0.333 -2.235 195 HH TYR 27 HH TYR 27 13.934 -0.319 -0.328 196 H CYS 28 HN CYS 28 15.098 0.303 -8.612 197 HA CYS 28 HA CYS 28 14.314 2.358 -10.439 198 HB2 CYS 28 HB2 CYS 28 16.682 1.892 -9.679 199 HB3 CYS 28 HB1 CYS 28 16.641 0.454 -10.688 200 HG CYS 28 HG CYS 28 16.818 1.628 -13.037 201 H GLY 29 HN GLY 29 12.783 1.931 -11.905 202 HA2 GLY 29 HA2 GLY 29 11.964 0.903 -13.859 203 HA3 GLY 29 HA1 GLY 29 13.018 -0.471 -13.551 204 H ALA 30 HN ALA 30 11.365 0.561 -10.815 205 HA ALA 30 HA ALA 30 9.464 -1.670 -11.070 206 HB1 ALA 30 HB1 ALA 30 11.078 -2.134 -9.377 207 HB2 ALA 30 HB2 ALA 30 9.556 -1.731 -8.577 208 HB3 ALA 30 HB3 ALA 30 10.857 -0.539 -8.656 209 H ALA 31 HN ALA 31 7.480 -1.431 -9.834 210 HA ALA 31 HA ALA 31 6.497 1.333 -9.653 211 HB1 ALA 31 HB1 ALA 31 5.275 0.010 -11.244 212 HB2 ALA 31 HB2 ALA 31 4.264 0.294 -9.827 213 HB3 ALA 31 HB3 ALA 31 5.052 -1.276 -10.051 214 H ILE 32 HN ILE 32 6.441 2.029 -7.499 215 HA ILE 32 HA ILE 32 6.416 -0.147 -5.543 216 HB ILE 32 HB ILE 32 8.378 1.357 -5.393 217 HG12 ILE 32 HG12 ILE 32 6.746 1.822 -2.935 218 HG13 ILE 32 HG11 ILE 32 7.072 0.166 -3.429 219 HG21 ILE 32 HG21 ILE 32 7.203 3.407 -6.087 220 HG22 ILE 32 HG22 ILE 32 8.141 3.607 -4.604 221 HG23 ILE 32 HG23 ILE 32 6.386 3.433 -4.521 222 HD11 ILE 32 HD11 ILE 32 9.163 2.255 -2.922 223 HD12 ILE 32 HD12 ILE 32 9.438 0.548 -3.311 224 HD13 ILE 32 HD13 ILE 32 8.668 1.000 -1.782 225 H TYR 33 HN TYR 33 4.871 -0.444 -4.187 226 HA TYR 33 HA TYR 33 2.638 1.478 -4.193 227 HB2 TYR 33 HB2 TYR 33 2.477 -1.536 -3.993 228 HB3 TYR 33 HB1 TYR 33 1.125 -0.418 -4.065 229 HD1 TYR 33 HD1 TYR 33 0.623 0.784 -6.170 230 HD2 TYR 33 HD2 TYR 33 3.605 -2.240 -5.950 231 HE1 TYR 33 HE1 TYR 33 0.579 0.559 -8.623 232 HE2 TYR 33 HE2 TYR 33 3.585 -2.461 -8.385 233 HH TYR 33 HH TYR 33 2.166 -2.045 -10.259 234 H ALA 34 HN ALA 34 1.340 1.502 -2.304 235 HA ALA 34 HA ALA 34 2.787 0.901 0.137 236 HB1 ALA 34 HB1 ALA 34 1.416 3.027 -0.363 237 HB2 ALA 34 HB2 ALA 34 1.283 2.272 1.232 238 HB3 ALA 34 HB3 ALA 34 0.016 2.012 0.026 239 H ARG 35 HN ARG 35 2.563 -1.033 1.070 240 HA ARG 35 HA ARG 35 -0.130 -2.165 1.052 241 HB2 ARG 35 HB2 ARG 35 1.740 -3.246 -0.580 242 HB3 ARG 35 HB1 ARG 35 2.076 -4.144 0.893 243 HG2 ARG 35 HG2 ARG 35 0.504 -5.342 -0.497 244 HG3 ARG 35 HG1 ARG 35 -0.264 -4.832 1.007 245 HD2 ARG 35 HD2 ARG 35 -1.759 -4.432 -0.853 246 HD3 ARG 35 HD1 ARG 35 -1.230 -2.891 -0.178 247 HE ARG 35 HE ARG 35 0.544 -3.352 -2.168 248 HH11 ARG 35 HH11 ARG 35 -2.951 -3.348 -2.095 249 HH12 ARG 35 HH12 ARG 35 -3.106 -2.783 -3.729 250 HH21 ARG 35 HH21 ARG 35 0.321 -2.569 -4.319 251 HH22 ARG 35 HH22 ARG 35 -1.272 -2.350 -4.982 252 H TYR 36 HN TYR 36 -0.775 -2.293 3.009 253 HA TYR 36 HA TYR 36 0.927 -2.474 5.309 254 HB2 TYR 36 HB2 TYR 36 -1.435 -1.450 5.131 255 HB3 TYR 36 HB1 TYR 36 -2.031 -3.106 5.166 256 HD1 TYR 36 HD1 TYR 36 -0.005 -0.668 7.053 257 HD2 TYR 36 HD2 TYR 36 -2.354 -4.198 7.220 258 HE1 TYR 36 HE1 TYR 36 0.103 -0.586 9.495 259 HE2 TYR 36 HE2 TYR 36 -2.272 -4.149 9.664 260 HH TYR 36 HH TYR 36 -0.807 -3.187 11.461 261 H ASP 37 HN ASP 37 2.163 -4.355 4.839 262 HA ASP 37 HA ASP 37 0.831 -6.888 5.340 263 HB2 ASP 37 HB2 ASP 37 1.068 -6.315 2.699 264 HB3 ASP 37 HB1 ASP 37 2.684 -6.971 2.991 265 H LYS 38 HN LYS 38 2.919 -8.576 4.726 266 HA LYS 38 HA LYS 38 4.737 -7.969 6.875 267 HB2 LYS 38 HB2 LYS 38 4.371 -10.278 5.001 268 HB3 LYS 38 HB1 LYS 38 5.781 -10.177 6.035 269 HG2 LYS 38 HG2 LYS 38 4.451 -10.289 7.997 270 HG3 LYS 38 HG1 LYS 38 2.964 -10.116 7.067 271 HD2 LYS 38 HD2 LYS 38 3.967 -12.477 7.900 272 HD3 LYS 38 HD1 LYS 38 2.932 -12.295 6.482 273 HE2 LYS 38 HE2 LYS 38 4.728 -13.601 5.731 274 HE3 LYS 38 HE1 LYS 38 5.100 -11.974 5.168 275 HZ1 LYS 38 HZ1 LYS 38 6.645 -11.707 6.979 276 HZ2 LYS 38 HZ2 LYS 38 7.025 -13.122 6.131 277 HZ3 LYS 38 HZ3 LYS 38 6.225 -13.220 7.620 278 H GLY 39 HN GLY 39 7.001 -7.994 6.686 279 HA2 GLY 39 HA2 GLY 39 7.990 -6.917 4.141 280 HA3 GLY 39 HA1 GLY 39 8.812 -6.807 5.698 281 H ASN 40 HN ASN 40 10.675 -7.898 5.470 282 HA ASN 40 HA ASN 40 10.953 -10.229 3.875 283 HB2 ASN 40 HB2 ASN 40 12.839 -8.720 4.439 284 HB3 ASN 40 HB1 ASN 40 12.719 -9.196 6.127 285 HD21 ASN 40 HD21 ASN 40 14.844 -9.925 6.132 286 HD22 ASN 40 HD22 ASN 40 15.314 -11.392 5.352 287 H SER 41 HN SER 41 12.026 -12.267 5.227 288 HA SER 41 HA SER 41 9.913 -13.741 6.074 289 HB2 SER 41 HB2 SER 41 12.706 -14.107 7.157 290 HB3 SER 41 HB1 SER 41 11.482 -15.351 6.907 291 HG SER 41 HG SER 41 12.024 -15.461 4.884 292 H SER 42 HN SER 42 12.329 -12.608 8.461 293 HA SER 42 HA SER 42 10.588 -13.206 10.646 294 HB2 SER 42 HB2 SER 42 13.100 -11.542 10.768 295 HB3 SER 42 HB1 SER 42 12.403 -12.561 12.030 296 HG SER 42 HG SER 42 13.466 -14.186 11.241 297 H GLN 43 HN GLN 43 10.726 -10.671 8.534 298 HA GLN 43 HA GLN 43 9.993 -8.559 10.382 299 HB2 GLN 43 HB2 GLN 43 10.399 -8.602 7.393 300 HB3 GLN 43 HB1 GLN 43 9.867 -7.177 8.276 301 HG2 GLN 43 HG2 GLN 43 12.440 -8.641 8.808 302 HG3 GLN 43 HG1 GLN 43 12.291 -7.214 7.782 303 HE21 GLN 43 HE21 GLN 43 12.270 -8.422 11.038 304 HE22 GLN 43 HE22 GLN 43 12.319 -6.882 11.819 305 H GLN 44 HN GLN 44 8.248 -10.856 10.113 306 HA GLN 44 HA GLN 44 5.972 -10.370 8.566 307 HB2 GLN 44 HB2 GLN 44 4.827 -11.899 10.061 308 HB3 GLN 44 HB1 GLN 44 6.426 -12.490 9.650 309 HG2 GLN 44 HG2 GLN 44 7.239 -11.740 11.822 310 HG3 GLN 44 HG1 GLN 44 5.628 -11.127 12.186 311 HE21 GLN 44 HE21 GLN 44 6.204 -14.148 10.499 312 HE22 GLN 44 HE22 GLN 44 5.635 -15.173 11.766 313 H THR 45 HN THR 45 3.876 -10.419 10.593 314 HA THR 45 HA THR 45 2.327 -8.993 11.329 315 HB THR 45 HB THR 45 3.009 -7.137 12.874 316 HG1 THR 45 HG1 THR 45 5.439 -7.635 11.849 317 HG21 THR 45 HG21 THR 45 4.064 -9.898 13.474 318 HG22 THR 45 HG22 THR 45 2.412 -9.327 13.717 319 HG23 THR 45 HG23 THR 45 3.728 -8.648 14.672 320 H LYS 46 HN LYS 46 1.192 -7.885 9.958 321 HA LYS 46 HA LYS 46 2.342 -6.364 7.894 322 HB2 LYS 46 HB2 LYS 46 -0.483 -6.183 8.881 323 HB3 LYS 46 HB1 LYS 46 0.111 -5.616 7.342 324 HG2 LYS 46 HG2 LYS 46 0.812 -8.109 7.022 325 HG3 LYS 46 HG1 LYS 46 -0.429 -8.388 8.249 326 HD2 LYS 46 HD2 LYS 46 -1.972 -6.966 6.824 327 HD3 LYS 46 HD1 LYS 46 -0.734 -7.050 5.576 328 HE2 LYS 46 HE2 LYS 46 -0.857 -9.514 5.651 329 HE3 LYS 46 HE1 LYS 46 -2.181 -9.373 6.797 330 HZ1 LYS 46 HZ1 LYS 46 -2.216 -8.230 4.063 331 HZ2 LYS 46 HZ2 LYS 46 -3.515 -8.284 5.150 332 HZ3 LYS 46 HZ3 LYS 46 -2.911 -9.712 4.479 333 H GLU 47 HN GLU 47 3.108 -4.423 7.889 334 HA GLU 47 HA GLU 47 1.670 -2.311 9.301 335 HB2 GLU 47 HB2 GLU 47 4.670 -2.639 9.424 336 HB3 GLU 47 HB1 GLU 47 3.805 -1.185 9.906 337 HG2 GLU 47 HG2 GLU 47 2.700 -2.375 11.676 338 HG3 GLU 47 HG1 GLU 47 3.372 -3.895 11.115 339 H TRP 48 HN TRP 48 1.994 -0.239 8.266 340 HA TRP 48 HA TRP 48 1.949 -0.409 5.494 341 HB2 TRP 48 HB2 TRP 48 2.330 1.891 7.370 342 HB3 TRP 48 HB1 TRP 48 2.431 2.102 5.629 343 HD1 TRP 48 HD1 TRP 48 0.027 2.382 8.299 344 HE1 TRP 48 HE1 TRP 48 -2.390 2.331 7.373 345 HE3 TRP 48 HE3 TRP 48 0.984 0.567 3.632 346 HZ2 TRP 48 HZ2 TRP 48 -3.705 1.579 4.992 347 HZ3 TRP 48 HZ3 TRP 48 -0.894 0.203 2.090 348 HH2 TRP 48 HH2 TRP 48 -3.196 0.695 2.764 349 H ARG 49 HN ARG 49 3.570 -0.979 4.246 350 HA ARG 49 HA ARG 49 6.120 0.382 4.658 351 HB2 ARG 49 HB2 ARG 49 5.731 -2.587 4.212 352 HB3 ARG 49 HB1 ARG 49 7.280 -1.766 4.060 353 HG2 ARG 49 HG2 ARG 49 7.489 -1.429 6.308 354 HG3 ARG 49 HG1 ARG 49 5.753 -1.444 6.598 355 HD2 ARG 49 HD2 ARG 49 5.858 -3.915 5.970 356 HD3 ARG 49 HD1 ARG 49 7.605 -3.758 6.145 357 HE ARG 49 HE ARG 49 6.337 -2.735 8.438 358 HH11 ARG 49 HH11 ARG 49 6.902 -5.748 6.818 359 HH12 ARG 49 HH12 ARG 49 6.923 -6.694 8.275 360 HH21 ARG 49 HH21 ARG 49 6.326 -3.973 10.401 361 HH22 ARG 49 HH22 ARG 49 6.571 -5.689 10.294 362 H CYS 50 HN CYS 50 7.467 0.252 2.664 363 HA CYS 50 HA CYS 50 5.645 0.614 0.402 364 HB2 CYS 50 HB2 CYS 50 8.544 1.469 0.675 365 HB3 CYS 50 HB1 CYS 50 7.402 1.969 -0.578 366 HG CYS 50 HG CYS 50 5.716 3.134 1.556 367 H TYR 51 HN TYR 51 5.554 -0.889 -1.051 368 HA TYR 51 HA TYR 51 7.792 -2.786 -1.325 369 HB2 TYR 51 HB2 TYR 51 4.834 -3.390 -1.533 370 HB3 TYR 51 HB1 TYR 51 6.131 -4.550 -1.749 371 HD1 TYR 51 HD1 TYR 51 7.880 -4.003 0.462 372 HD2 TYR 51 HD2 TYR 51 3.645 -4.033 0.333 373 HE1 TYR 51 HE1 TYR 51 7.819 -4.540 2.866 374 HE2 TYR 51 HE2 TYR 51 3.559 -4.566 2.730 375 HH TYR 51 HH TYR 51 6.239 -4.297 4.756 376 H ILE 52 HN ILE 52 8.630 -2.577 -3.322 377 HA ILE 52 HA ILE 52 7.115 -1.454 -5.443 378 HB ILE 52 HB ILE 52 9.022 -2.527 -6.864 379 HG12 ILE 52 HG12 ILE 52 10.242 -2.499 -4.138 380 HG13 ILE 52 HG11 ILE 52 9.879 -3.956 -5.072 381 HG21 ILE 52 HG21 ILE 52 9.656 -0.340 -4.908 382 HG22 ILE 52 HG22 ILE 52 8.649 -0.120 -6.345 383 HG23 ILE 52 HG23 ILE 52 10.346 -0.572 -6.516 384 HD11 ILE 52 HD11 ILE 52 12.231 -3.293 -5.260 385 HD12 ILE 52 HD12 ILE 52 11.720 -1.743 -5.941 386 HD13 ILE 52 HD13 ILE 52 11.394 -3.246 -6.810 387 H GLU 53 HN GLU 53 6.388 -2.480 -7.301 388 HA GLU 53 HA GLU 53 4.675 -4.568 -6.926 389 HB2 GLU 53 HB2 GLU 53 4.488 -2.999 -8.750 390 HB3 GLU 53 HB1 GLU 53 5.946 -3.628 -9.498 391 HG2 GLU 53 HG2 GLU 53 4.857 -5.760 -9.867 392 HG3 GLU 53 HG1 GLU 53 3.401 -5.168 -9.046 393 H LYS 54 HN LYS 54 8.020 -4.680 -7.691 394 HA LYS 54 HA LYS 54 8.411 -7.243 -8.625 395 HB2 LYS 54 HB2 LYS 54 9.949 -5.166 -7.351 396 HB3 LYS 54 HB1 LYS 54 10.437 -6.727 -6.708 397 HG2 LYS 54 HG2 LYS 54 10.488 -7.368 -9.272 398 HG3 LYS 54 HG1 LYS 54 10.693 -5.626 -9.460 399 HD2 LYS 54 HD2 LYS 54 12.882 -6.212 -9.243 400 HD3 LYS 54 HD1 LYS 54 12.482 -6.024 -7.535 401 HE2 LYS 54 HE2 LYS 54 12.586 -8.592 -9.106 402 HE3 LYS 54 HE1 LYS 54 13.703 -8.080 -7.844 403 HZ1 LYS 54 HZ1 LYS 54 12.196 -9.654 -6.923 404 HZ2 LYS 54 HZ2 LYS 54 10.851 -8.828 -7.530 405 HZ3 LYS 54 HZ3 LYS 54 11.772 -8.135 -6.283 406 H GLU 55 HN GLU 55 7.804 -6.090 -5.365 407 HA GLU 55 HA GLU 55 8.465 -8.684 -4.226 408 HB2 GLU 55 HB2 GLU 55 7.876 -6.121 -2.789 409 HB3 GLU 55 HB1 GLU 55 8.701 -7.533 -2.165 410 HG2 GLU 55 HG2 GLU 55 9.727 -5.808 -4.399 411 HG3 GLU 55 HG1 GLU 55 10.215 -5.648 -2.714 412 H LEU 56 HN LEU 56 5.666 -6.791 -4.971 413 HA LEU 56 HA LEU 56 3.961 -8.124 -3.076 414 HB2 LEU 56 HB2 LEU 56 3.382 -6.388 -5.463 415 HB3 LEU 56 HB1 LEU 56 2.131 -7.180 -4.553 416 HG LEU 56 HG LEU 56 2.916 -5.882 -2.505 417 HD11 LEU 56 HD11 LEU 56 4.262 -3.904 -2.983 418 HD12 LEU 56 HD12 LEU 56 4.431 -4.397 -4.668 419 HD13 LEU 56 HD13 LEU 56 5.157 -5.369 -3.388 420 HD21 LEU 56 HD21 LEU 56 0.948 -5.235 -3.720 421 HD22 LEU 56 HD22 LEU 56 1.913 -4.463 -4.984 422 HD23 LEU 56 HD23 LEU 56 1.880 -3.781 -3.352 423 H ASP 57 HN ASP 57 2.006 -9.195 -3.942 424 HA ASP 57 HA ASP 57 2.418 -10.657 -6.456 425 HB2 ASP 57 HB2 ASP 57 2.845 -12.161 -4.480 426 HB3 ASP 57 HB1 ASP 57 1.203 -11.835 -3.943 427 H PHE 58 HN PHE 58 0.781 -10.235 -7.800 428 HA PHE 58 HA PHE 58 -1.654 -9.022 -6.740 429 HB2 PHE 58 HB2 PHE 58 -0.512 -9.343 -9.501 430 HB3 PHE 58 HB1 PHE 58 -2.201 -8.899 -9.266 431 HD1 PHE 58 HD1 PHE 58 1.246 -7.871 -8.294 432 HD2 PHE 58 HD2 PHE 58 -2.791 -6.706 -8.942 433 HE1 PHE 58 HE1 PHE 58 1.893 -5.512 -8.019 434 HE2 PHE 58 HE2 PHE 58 -2.152 -4.340 -8.678 435 HZ PHE 58 HZ PHE 58 0.191 -3.741 -8.212 436 H SER 59 HN SER 59 -0.610 -12.045 -6.988 437 HA SER 59 HA SER 59 -3.126 -13.252 -7.786 438 HB2 SER 59 HB2 SER 59 -0.796 -14.577 -6.441 439 HB3 SER 59 HB1 SER 59 -2.052 -15.339 -7.402 440 HG SER 59 HG SER 59 0.107 -13.724 -8.244 441 H LYS 60 HN LYS 60 -1.684 -11.758 -5.221 442 HA LYS 60 HA LYS 60 -3.549 -12.856 -3.244 443 HB2 LYS 60 HB2 LYS 60 -0.881 -11.643 -3.117 444 HB3 LYS 60 HB1 LYS 60 -2.032 -10.967 -1.992 445 HG2 LYS 60 HG2 LYS 60 -1.155 -12.610 -0.701 446 HG3 LYS 60 HG1 LYS 60 -2.498 -13.483 -1.427 447 HD2 LYS 60 HD2 LYS 60 0.219 -13.494 -2.688 448 HD3 LYS 60 HD1 LYS 60 -0.172 -14.595 -1.368 449 HE2 LYS 60 HE2 LYS 60 -2.015 -15.515 -2.666 450 HE3 LYS 60 HE1 LYS 60 -1.674 -14.383 -3.975 451 HZ1 LYS 60 HZ1 LYS 60 0.193 -16.471 -2.989 452 HZ2 LYS 60 HZ2 LYS 60 0.480 -15.400 -4.277 453 HZ3 LYS 60 HZ3 LYS 60 -0.738 -16.574 -4.402 454 H SER 61 HN SER 61 -5.387 -11.682 -2.948 455 HA SER 61 HA SER 61 -5.477 -8.962 -3.896 456 HB2 SER 61 HB2 SER 61 -7.558 -10.408 -2.249 457 HB3 SER 61 HB1 SER 61 -7.768 -8.950 -3.222 458 HG SER 61 HG SER 61 -8.474 -10.520 -4.539 459 H GLY 62 HN GLY 62 -5.095 -7.208 -2.717 460 HA2 GLY 62 HA2 GLY 62 -3.730 -7.707 -0.225 461 HA3 GLY 62 HA1 GLY 62 -3.749 -6.200 -1.126 462 H ASP 63 HN ASP 63 -5.191 -8.067 1.364 463 HA ASP 63 HA ASP 63 -7.255 -6.161 2.008 464 HB2 ASP 63 HB2 ASP 63 -7.476 -7.498 4.079 465 HB3 ASP 63 HB1 ASP 63 -7.433 -8.543 2.661 466 H GLY 64 HN GLY 64 -4.437 -5.320 1.694 467 HA2 GLY 64 HA2 GLY 64 -3.949 -4.177 4.368 468 HA3 GLY 64 HA1 GLY 64 -2.636 -4.859 3.411 469 H CYS 65 HN CYS 65 -5.314 -3.101 2.090 470 HA CYS 65 HA CYS 65 -3.528 -0.839 1.436 471 HB2 CYS 65 HB2 CYS 65 -6.182 -1.418 0.118 472 HB3 CYS 65 HB1 CYS 65 -4.827 -0.476 -0.505 473 HG CYS 65 HG CYS 65 -5.260 -3.842 -0.475 474 H VAL 66 HN VAL 66 -4.924 1.221 1.252 475 HA VAL 66 HA VAL 66 -7.048 1.198 3.288 476 HB VAL 66 HB VAL 66 -5.386 2.476 4.325 477 HG11 VAL 66 HG11 VAL 66 -4.813 3.759 1.662 478 HG12 VAL 66 HG12 VAL 66 -3.826 2.532 2.466 479 HG13 VAL 66 HG13 VAL 66 -3.998 4.138 3.182 480 HG21 VAL 66 HG21 VAL 66 -7.580 3.702 4.006 481 HG22 VAL 66 HG22 VAL 66 -6.717 4.680 2.812 482 HG23 VAL 66 HG23 VAL 66 -6.175 4.656 4.498 483 H ASP 67 HN ASP 67 -8.825 2.538 2.786 484 HA ASP 67 HA ASP 67 -9.207 2.732 -0.090 485 HB2 ASP 67 HB2 ASP 67 -11.533 2.958 0.333 486 HB3 ASP 67 HB1 ASP 67 -10.950 1.737 1.456 487 H ASP 68 HN ASP 68 -11.113 5.039 0.151 488 HA ASP 68 HA ASP 68 -9.065 7.042 -0.134 489 HB2 ASP 68 HB2 ASP 68 -10.868 8.672 -0.537 490 HB3 ASP 68 HB1 ASP 68 -10.978 7.269 -1.590 491 H CYS 69 HN CYS 69 -11.244 6.009 2.369 492 HA CYS 69 HA CYS 69 -10.146 8.129 4.114 493 HB2 CYS 69 HB2 CYS 69 -12.625 7.627 4.160 494 HB3 CYS 69 HB1 CYS 69 -12.236 6.014 4.740 495 HG CYS 69 HG CYS 69 -13.129 7.405 6.939 496 H GLY 70 HN GLY 70 -9.252 7.271 6.262 497 HA2 GLY 70 HA2 GLY 70 -7.399 5.153 5.699 498 HA3 GLY 70 HA1 GLY 70 -7.572 6.005 7.230 499 H SER 71 HN SER 71 -9.194 3.671 5.182 500 HA SER 71 HA SER 71 -9.500 1.898 7.493 501 HB2 SER 71 HB2 SER 71 -11.724 2.820 7.067 502 HB3 SER 71 HB1 SER 71 -11.573 2.466 5.346 503 HG SER 71 HG SER 71 -12.242 0.525 5.730 504 H MET 72 HN MET 72 -8.740 -0.140 7.025 505 HA MET 72 HA MET 72 -7.271 -0.402 4.632 506 HB2 MET 72 HB2 MET 72 -7.995 -2.682 6.442 507 HB3 MET 72 HB1 MET 72 -6.619 -2.538 5.356 508 HG2 MET 72 HG2 MET 72 -5.912 -0.564 6.801 509 HG3 MET 72 HG1 MET 72 -7.080 -1.160 7.968 510 HE1 MET 72 HE1 MET 72 -6.829 -4.344 7.426 511 HE2 MET 72 HE2 MET 72 -6.986 -3.623 9.028 512 HE3 MET 72 HE3 MET 72 -5.686 -4.770 8.701 513 H THR 73 HN THR 73 -8.022 -0.721 2.755 514 HA THR 73 HA THR 73 -10.460 -2.287 2.358 515 HB THR 73 HB THR 73 -10.427 0.056 1.466 516 HG1 THR 73 HG1 THR 73 -10.681 -1.159 -0.896 517 HG21 THR 73 HG21 THR 73 -9.116 0.553 -0.512 518 HG22 THR 73 HG22 THR 73 -8.400 -1.064 -0.476 519 HG23 THR 73 HG23 THR 73 -8.040 0.086 0.812 520 H SER 74 HN SER 74 -10.467 -3.747 0.479 521 HA SER 74 HA SER 74 -7.909 -5.064 0.243 522 HB2 SER 74 HB2 SER 74 -10.014 -6.330 0.850 523 HB3 SER 74 HB1 SER 74 -10.520 -6.047 -0.806 524 HG SER 74 HG SER 74 -8.935 -7.957 0.094 525 H CYS 75 HN CYS 75 -6.793 -5.141 -1.541 526 HA CYS 75 HA CYS 75 -7.858 -4.658 -4.167 527 HB2 CYS 75 HB2 CYS 75 -7.675 -2.341 -3.401 528 HB3 CYS 75 HB1 CYS 75 -5.997 -2.609 -2.960 529 HG CYS 75 HG CYS 75 -5.628 -1.202 -5.196 530 H ARG 76 HN ARG 76 -6.495 -5.433 -5.761 531 HA ARG 76 HA ARG 76 -4.962 -7.564 -4.768 532 HB2 ARG 76 HB2 ARG 76 -5.546 -6.574 -7.506 533 HB3 ARG 76 HB1 ARG 76 -4.333 -7.810 -7.249 534 HG2 ARG 76 HG2 ARG 76 -6.365 -8.923 -7.675 535 HG3 ARG 76 HG1 ARG 76 -5.999 -9.101 -5.967 536 HD2 ARG 76 HD2 ARG 76 -8.228 -8.545 -5.967 537 HD3 ARG 76 HD1 ARG 76 -7.380 -7.049 -5.638 538 HE ARG 76 HE ARG 76 -7.690 -6.511 -8.047 539 HH11 ARG 76 HH11 ARG 76 -9.909 -8.702 -6.426 540 HH12 ARG 76 HH12 ARG 76 -11.232 -8.319 -7.484 541 HH21 ARG 76 HH21 ARG 76 -9.431 -6.015 -9.418 542 HH22 ARG 76 HH22 ARG 76 -10.979 -6.780 -9.157 543 H GLY 77 HN GLY 77 -3.040 -7.648 -4.091 544 HA2 GLY 77 HA2 GLY 77 -0.668 -7.152 -5.100 545 HA3 GLY 77 HA1 GLY 77 -1.116 -5.519 -4.629 546 H SER 78 HN SER 78 0.279 -8.380 -3.562 547 HA SER 78 HA SER 78 0.635 -7.272 -0.954 548 HB2 SER 78 HB2 SER 78 -1.363 -9.450 -1.400 549 HB3 SER 78 HB1 SER 78 -0.381 -9.507 0.060 550 HG SER 78 HG SER 78 -1.708 -7.144 -0.687 551 H VAL 79 HN VAL 79 2.201 -8.152 0.206 552 HA VAL 79 HA VAL 79 4.218 -9.371 -1.283 553 HB VAL 79 HB VAL 79 3.951 -8.843 1.664 554 HG11 VAL 79 HG11 VAL 79 6.410 -9.708 0.129 555 HG12 VAL 79 HG12 VAL 79 5.540 -10.686 1.313 556 HG13 VAL 79 HG13 VAL 79 6.374 -9.217 1.822 557 HG21 VAL 79 HG21 VAL 79 3.991 -6.886 0.206 558 HG22 VAL 79 HG22 VAL 79 5.504 -7.448 -0.509 559 HG23 VAL 79 HG23 VAL 79 5.450 -6.986 1.193 560 H SER 80 HN SER 80 4.085 -11.405 -1.968 561 HA SER 80 HA SER 80 2.765 -13.453 -0.443 562 HB2 SER 80 HB2 SER 80 2.586 -13.379 -2.872 563 HB3 SER 80 HB1 SER 80 4.322 -13.634 -3.018 564 HG SER 80 HG SER 80 4.033 -15.670 -2.011 565 H GLY 81 HN GLY 81 4.001 -13.706 1.431 566 HA2 GLY 81 HA2 GLY 81 5.672 -14.990 2.540 567 HA3 GLY 81 HA1 GLY 81 6.601 -15.005 1.046 568 HA PRO 82 HA PRO 82 8.810 -11.830 3.405 569 HB2 PRO 82 HB2 PRO 82 11.184 -12.534 2.428 570 HB3 PRO 82 HB1 PRO 82 10.457 -13.330 3.824 571 HG2 PRO 82 HG2 PRO 82 10.464 -14.204 0.956 572 HG3 PRO 82 HG1 PRO 82 10.802 -15.149 2.415 573 HD2 PRO 82 HD2 PRO 82 8.426 -15.217 1.170 574 HD3 PRO 82 HD1 PRO 82 8.575 -15.361 2.932 575 H SER 83 HN SER 83 9.299 -9.852 2.631 576 HA SER 83 HA SER 83 9.740 -9.579 -0.264 577 HB2 SER 83 HB2 SER 83 9.052 -7.167 0.165 578 HB3 SER 83 HB1 SER 83 7.774 -8.367 0.272 579 HG SER 83 HG SER 83 7.553 -7.939 2.324 580 H THR 84 HN THR 84 11.490 -8.451 -0.984 581 HA THR 84 HA THR 84 13.548 -7.906 1.041 582 HB THR 84 HB THR 84 14.669 -7.830 -1.548 583 HG1 THR 84 HG1 THR 84 12.700 -8.978 -2.176 584 HG21 THR 84 HG21 THR 84 15.812 -8.584 0.457 585 HG22 THR 84 HG22 THR 84 15.839 -9.866 -0.755 586 HG23 THR 84 HG23 THR 84 14.712 -9.954 0.601 587 H SER 85 HN SER 85 12.421 -6.662 -2.090 588 HA SER 85 HA SER 85 13.754 -4.145 -1.712 589 HB2 SER 85 HB2 SER 85 11.680 -4.914 -3.809 590 HB3 SER 85 HB1 SER 85 12.854 -3.590 -3.894 591 HG SER 85 HG SER 85 13.167 -6.236 -4.464 592 H HIS 86 HN HIS 86 12.844 -3.316 0.218 593 HA HIS 86 HA HIS 86 10.225 -2.142 -0.061 594 HB2 HIS 86 HB2 HIS 86 9.153 -3.252 1.737 595 HB3 HIS 86 HB1 HIS 86 9.805 -4.507 0.696 596 HD1 HIS 86 HD1 HIS 86 12.376 -5.318 1.642 597 HD2 HIS 86 HD2 HIS 86 9.646 -3.711 4.336 598 HE1 HIS 86 HE1 HIS 86 13.134 -6.086 3.913 599 HE2 HIS 86 HE2 HIS 86 11.639 -4.859 5.531 600 H LEU 87 HN LEU 87 9.620 -0.785 1.740 601 HA LEU 87 HA LEU 87 11.793 -0.056 3.583 602 HB2 LEU 87 HB2 LEU 87 10.096 1.858 1.982 603 HB3 LEU 87 HB1 LEU 87 11.152 2.344 3.293 604 HG LEU 87 HG LEU 87 12.877 0.982 1.656 605 HD11 LEU 87 HD11 LEU 87 11.220 0.669 -0.066 606 HD12 LEU 87 HD12 LEU 87 12.458 1.797 -0.619 607 HD13 LEU 87 HD13 LEU 87 10.885 2.401 -0.095 608 HD21 LEU 87 HD21 LEU 87 13.686 3.192 0.994 609 HD22 LEU 87 HD22 LEU 87 13.281 3.137 2.711 610 HD23 LEU 87 HD23 LEU 87 12.184 3.912 1.570 611 H THR 88 HN THR 88 11.010 -0.325 5.608 612 HA THR 88 HA THR 88 8.180 -0.298 6.126 613 HB THR 88 HB THR 88 10.337 -0.174 8.212 614 HG1 THR 88 HG1 THR 88 10.788 -2.231 7.850 615 HG21 THR 88 HG21 THR 88 7.545 -1.264 8.232 616 HG22 THR 88 HG22 THR 88 8.121 0.176 9.072 617 HG23 THR 88 HG23 THR 88 8.697 -1.424 9.556 618 H ARG 89 HN ARG 89 7.484 1.765 5.502 619 HA ARG 89 HA ARG 89 8.163 3.810 7.522 620 HB2 ARG 89 HB2 ARG 89 7.125 4.303 4.724 621 HB3 ARG 89 HB1 ARG 89 7.692 5.505 5.867 622 HG2 ARG 89 HG2 ARG 89 9.523 3.368 4.887 623 HG3 ARG 89 HG1 ARG 89 9.220 4.814 3.923 624 HD2 ARG 89 HD2 ARG 89 9.822 6.129 6.012 625 HD3 ARG 89 HD1 ARG 89 10.442 4.609 6.654 626 HE ARG 89 HE ARG 89 11.484 5.394 4.068 627 HH11 ARG 89 HH11 ARG 89 11.941 5.340 7.540 628 HH12 ARG 89 HH12 ARG 89 13.617 5.792 7.446 629 HH21 ARG 89 HH21 ARG 89 13.703 6.000 3.950 630 HH22 ARG 89 HH22 ARG 89 14.609 6.169 5.431 631 HA PRO 90 HA PRO 90 3.666 2.575 7.617 632 HB2 PRO 90 HB2 PRO 90 3.924 1.811 10.367 633 HB3 PRO 90 HB1 PRO 90 3.544 0.791 8.998 634 HG2 PRO 90 HG2 PRO 90 5.899 0.653 10.425 635 HG3 PRO 90 HG1 PRO 90 5.684 0.097 8.760 636 HD2 PRO 90 HD2 PRO 90 6.948 2.589 9.766 637 HD3 PRO 90 HD1 PRO 90 7.354 1.599 8.372 638 H SER 91 HN SER 91 5.678 4.289 9.869 639 HA SER 91 HA SER 91 3.691 5.904 11.070 640 HB2 SER 91 HB2 SER 91 6.537 6.755 10.569 641 HB3 SER 91 HB1 SER 91 5.514 7.109 11.966 642 HG SER 91 HG SER 91 5.687 4.943 12.594 643 H GLU 92 HN GLU 92 5.389 5.955 8.059 644 HA GLU 92 HA GLU 92 4.734 8.734 7.527 645 HB2 GLU 92 HB2 GLU 92 6.700 6.818 6.588 646 HB3 GLU 92 HB1 GLU 92 5.948 7.698 5.258 647 HG2 GLU 92 HG2 GLU 92 7.274 8.938 7.662 648 HG3 GLU 92 HG1 GLU 92 7.991 8.781 6.058 649 H LEU 93 HN LEU 93 3.964 5.504 6.225 650 HA LEU 93 HA LEU 93 2.287 6.402 4.150 651 HB2 LEU 93 HB2 LEU 93 2.516 3.857 5.677 652 HB3 LEU 93 HB1 LEU 93 1.079 4.110 4.716 653 HG LEU 93 HG LEU 93 2.495 2.852 3.348 654 HD11 LEU 93 HD11 LEU 93 3.082 4.320 1.502 655 HD12 LEU 93 HD12 LEU 93 2.947 5.723 2.562 656 HD13 LEU 93 HD13 LEU 93 1.517 4.760 2.188 657 HD21 LEU 93 HD21 LEU 93 4.747 4.728 4.041 658 HD22 LEU 93 HD22 LEU 93 4.832 3.395 2.889 659 HD23 LEU 93 HD23 LEU 93 4.559 3.066 4.602 660 H GLN 94 HN GLN 94 1.538 5.583 7.529 661 HA GLN 94 HA GLN 94 -1.274 6.015 7.185 662 HB2 GLN 94 HB2 GLN 94 0.378 4.899 9.164 663 HB3 GLN 94 HB1 GLN 94 -0.392 6.278 9.926 664 HG2 GLN 94 HG2 GLN 94 -1.847 4.090 8.465 665 HG3 GLN 94 HG1 GLN 94 -1.650 4.176 10.214 666 HE21 GLN 94 HE21 GLN 94 -3.997 4.302 8.312 667 HE22 GLN 94 HE22 GLN 94 -4.885 5.690 8.821 668 H ALA 95 HN ALA 95 1.432 7.976 7.668 669 HA ALA 95 HA ALA 95 0.229 10.235 8.873 670 HB1 ALA 95 HB1 ALA 95 2.692 9.749 8.644 671 HB2 ALA 95 HB2 ALA 95 2.177 11.399 8.283 672 HB3 ALA 95 HB3 ALA 95 2.536 10.279 6.965 673 H VAL 96 HN VAL 96 0.822 9.308 5.490 674 HA VAL 96 HA VAL 96 -0.400 11.708 4.537 675 HB VAL 96 HB VAL 96 0.789 11.247 2.706 676 HG11 VAL 96 HG11 VAL 96 1.062 8.387 3.581 677 HG12 VAL 96 HG12 VAL 96 2.137 9.702 4.058 678 HG13 VAL 96 HG13 VAL 96 2.034 9.216 2.357 679 HG21 VAL 96 HG21 VAL 96 -0.987 8.845 2.341 680 HG22 VAL 96 HG22 VAL 96 -0.069 9.675 1.082 681 HG23 VAL 96 HG23 VAL 96 -1.417 10.499 1.884 682 H ILE 97 HN ILE 97 -1.382 8.474 5.328 683 HA ILE 97 HA ILE 97 -3.928 8.523 4.148 684 HB ILE 97 HB ILE 97 -2.817 7.229 6.606 685 HG12 ILE 97 HG12 ILE 97 -4.213 5.788 4.417 686 HG13 ILE 97 HG11 ILE 97 -2.651 6.516 4.048 687 HG21 ILE 97 HG21 ILE 97 -4.950 6.092 6.949 688 HG22 ILE 97 HG22 ILE 97 -5.688 7.114 5.710 689 HG23 ILE 97 HG23 ILE 97 -5.082 7.832 7.204 690 HD11 ILE 97 HD11 ILE 97 -2.518 4.156 4.735 691 HD12 ILE 97 HD12 ILE 97 -3.147 4.615 6.317 692 HD13 ILE 97 HD13 ILE 97 -1.592 5.243 5.766 693 H ASP 98 HN ASP 98 -2.964 9.294 7.457 694 HA ASP 98 HA ASP 98 -5.211 10.703 8.256 695 HB2 ASP 98 HB2 ASP 98 -3.503 10.065 9.822 696 HB3 ASP 98 HB1 ASP 98 -2.292 11.041 8.993 697 H SER 99 HN SER 99 -2.363 11.900 6.506 698 HA SER 99 HA SER 99 -3.145 14.648 6.640 699 HB2 SER 99 HB2 SER 99 -0.824 14.124 6.508 700 HB3 SER 99 HB1 SER 99 -1.043 13.222 5.010 701 HG SER 99 HG SER 99 -0.933 15.026 3.930 702 H ASP 100 HN ASP 100 -2.877 12.401 3.852 703 HA ASP 100 HA ASP 100 -4.143 14.237 2.086 704 HB2 ASP 100 HB2 ASP 100 -2.850 11.715 1.895 705 HB3 ASP 100 HB1 ASP 100 -4.256 11.757 0.920 706 H LYS 101 HN LYS 101 -5.442 12.076 4.373 707 HA LYS 101 HA LYS 101 -7.894 11.429 3.259 708 HB2 LYS 101 HB2 LYS 101 -6.804 11.793 5.917 709 HB3 LYS 101 HB1 LYS 101 -8.493 12.295 5.843 710 HG2 LYS 101 HG2 LYS 101 -9.232 10.199 5.571 711 HG3 LYS 101 HG1 LYS 101 -7.843 9.700 4.605 712 HD2 LYS 101 HD2 LYS 101 -7.854 8.541 6.734 713 HD3 LYS 101 HD1 LYS 101 -6.502 9.665 6.661 714 HE2 LYS 101 HE2 LYS 101 -7.422 9.947 8.797 715 HE3 LYS 101 HE1 LYS 101 -7.993 11.315 7.843 716 HZ1 LYS 101 HZ1 LYS 101 -9.593 8.863 8.284 717 HZ2 LYS 101 HZ2 LYS 101 -10.116 10.337 7.626 718 HZ3 LYS 101 HZ3 LYS 101 -9.701 10.240 9.264 719 H SER 102 HN SER 102 -6.633 14.546 4.160 720 HA SER 102 HA SER 102 -9.069 16.001 4.091 721 HB2 SER 102 HB2 SER 102 -6.296 16.999 3.388 722 HB3 SER 102 HB1 SER 102 -7.672 17.973 3.910 723 HG SER 102 HG SER 102 -5.997 16.291 5.397 724 H ASN 103 HN ASN 103 -6.851 14.826 1.688 725 HA ASN 103 HA ASN 103 -8.053 16.190 -0.550 726 HB2 ASN 103 HB2 ASN 103 -5.606 15.290 -0.296 727 HB3 ASN 103 HB1 ASN 103 -6.322 13.747 -0.741 728 HD21 ASN 103 HD21 ASN 103 -4.354 15.178 -2.192 729 HD22 ASN 103 HD22 ASN 103 -5.026 15.557 -3.743 730 H TYR 104 HN TYR 104 -8.062 12.972 0.874 731 HA TYR 104 HA TYR 104 -10.564 12.355 -0.524 732 HB2 TYR 104 HB2 TYR 104 -8.937 9.984 -0.274 733 HB3 TYR 104 HB1 TYR 104 -9.704 10.636 -1.712 734 HD1 TYR 104 HD2 TYR 104 -6.688 11.088 0.420 735 HD2 TYR 104 HD1 TYR 104 -8.353 11.369 -3.492 736 HE1 TYR 104 HE2 TYR 104 -4.474 11.654 -0.458 737 HE2 TYR 104 HE1 TYR 104 -6.146 11.929 -4.399 738 HH TYR 104 HH TYR 104 -3.277 11.513 -2.655 739 H CYS 105 HN CYS 105 -11.939 11.908 1.079 740 HA CYS 105 HA CYS 105 -11.441 9.699 2.757 741 HB2 CYS 105 HB2 CYS 105 -10.326 10.999 4.289 742 HB3 CYS 105 HB1 CYS 105 -11.282 12.434 3.941 743 HG CYS 105 HG CYS 105 -13.060 9.955 5.327 744 H THR 106 HN THR 106 -13.232 8.705 3.294 745 HA THR 106 HA THR 106 -15.784 10.012 2.730 746 HB THR 106 HB THR 106 -16.509 7.509 3.117 747 HG1 THR 106 HG1 THR 106 -13.882 7.072 2.139 748 HG21 THR 106 HG21 THR 106 -15.002 8.429 0.684 749 HG22 THR 106 HG22 THR 106 -16.722 8.677 1.008 750 HG23 THR 106 HG23 THR 106 -16.100 7.047 0.757 751 H ASP 107 HN ASP 107 -17.448 10.082 4.233 752 HA ASP 107 HA ASP 107 -16.774 9.523 7.019 753 HB2 ASP 107 HB2 ASP 107 -17.927 11.621 6.574 754 HB3 ASP 107 HB1 ASP 107 -19.226 10.767 5.749 755 H LYS 108 HN LYS 108 -18.773 8.360 4.407 756 HA LYS 108 HA LYS 108 -19.988 6.263 5.973 757 HB2 LYS 108 HB2 LYS 108 -21.054 7.288 3.948 758 HB3 LYS 108 HB1 LYS 108 -19.797 6.548 2.981 759 HG2 LYS 108 HG2 LYS 108 -21.461 4.815 4.730 760 HG3 LYS 108 HG1 LYS 108 -22.148 5.433 3.232 761 HD2 LYS 108 HD2 LYS 108 -20.233 4.448 1.997 762 HD3 LYS 108 HD1 LYS 108 -19.650 3.741 3.506 763 HE2 LYS 108 HE2 LYS 108 -20.869 2.043 2.387 764 HE3 LYS 108 HE1 LYS 108 -21.889 2.609 3.707 765 HZ1 LYS 108 HZ1 LYS 108 -23.263 2.406 1.814 766 HZ2 LYS 108 HZ2 LYS 108 -22.161 3.221 0.818 767 HZ3 LYS 108 HZ3 LYS 108 -23.007 4.074 2.015 768 H SER 109 HN SER 109 -17.273 6.715 3.836 769 HA SER 109 HA SER 109 -15.605 5.380 3.099 770 HB2 SER 109 HB2 SER 109 -14.866 5.710 5.346 771 HB3 SER 109 HB1 SER 109 -15.871 4.387 5.935 772 HG SER 109 HG SER 109 -13.664 4.162 4.133 773 H GLU 110 HN GLU 110 -17.120 4.473 1.620 774 HA GLU 110 HA GLU 110 -18.425 2.020 2.231 775 HB2 GLU 110 HB2 GLU 110 -18.986 2.013 -0.201 776 HB3 GLU 110 HB1 GLU 110 -19.470 3.470 0.653 777 HG2 GLU 110 HG2 GLU 110 -17.321 4.506 -0.199 778 HG3 GLU 110 HG1 GLU 110 -17.196 3.109 -1.268 779 H GLN 111 HN GLN 111 -15.382 2.966 0.947 780 HA GLN 111 HA GLN 111 -13.621 1.897 0.000 781 HB2 GLN 111 HB2 GLN 111 -12.738 0.111 1.422 782 HB3 GLN 111 HB1 GLN 111 -13.380 1.428 2.376 783 HG2 GLN 111 HG2 GLN 111 -15.409 0.159 2.812 784 HG3 GLN 111 HG1 GLN 111 -14.780 -1.181 1.857 785 HE21 GLN 111 HE21 GLN 111 -14.975 -2.539 3.646 786 HE22 GLN 111 HE22 GLN 111 -13.842 -2.486 4.958 787 H GLN 112 HN GLN 112 -13.203 -1.080 -0.009 788 HA GLN 112 HA GLN 112 -14.901 -1.599 -2.334 789 HB2 GLN 112 HB2 GLN 112 -12.428 -3.047 -1.390 790 HB3 GLN 112 HB1 GLN 112 -13.383 -3.523 -2.786 791 HG2 GLN 112 HG2 GLN 112 -12.850 -0.829 -3.191 792 HG3 GLN 112 HG1 GLN 112 -11.349 -1.493 -2.545 793 HE21 GLN 112 HE21 GLN 112 -10.303 -3.168 -3.688 794 HE22 GLN 112 HE22 GLN 112 -10.613 -3.441 -5.375 795 HA PRO 113 HA PRO 113 -16.059 -5.387 0.307 796 HB2 PRO 113 HB2 PRO 113 -14.788 -5.311 2.894 797 HB3 PRO 113 HB1 PRO 113 -14.612 -6.522 1.625 798 HG2 PRO 113 HG2 PRO 113 -12.611 -4.817 2.406 799 HG3 PRO 113 HG1 PRO 113 -12.714 -5.563 0.801 800 HD2 PRO 113 HD2 PRO 113 -13.481 -2.800 1.663 801 HD3 PRO 113 HD1 PRO 113 -12.677 -3.335 0.171 802 H SER 114 HN SER 114 -17.955 -5.428 1.444 803 HA SER 114 HA SER 114 -19.067 -3.042 2.403 804 HB2 SER 114 HB2 SER 114 -20.053 -5.779 3.193 805 HB3 SER 114 HB1 SER 114 -20.994 -4.317 2.889 806 HG SER 114 HG SER 114 -20.377 -6.247 1.180 807 H GLN 115 HN GLN 115 -19.039 -5.889 4.439 808 HA GLN 115 HA GLN 115 -17.352 -4.708 6.484 809 HB2 GLN 115 HB2 GLN 115 -20.270 -5.393 6.940 810 HB3 GLN 115 HB1 GLN 115 -19.107 -5.291 8.249 811 HG2 GLN 115 HG2 GLN 115 -18.762 -2.952 7.832 812 HG3 GLN 115 HG1 GLN 115 -19.770 -3.022 6.387 813 HE21 GLN 115 HE21 GLN 115 -20.011 -1.431 8.858 814 HE22 GLN 115 HE22 GLN 115 -21.601 -1.761 9.458 815 H ALA 116 HN ALA 116 -19.844 -7.164 6.602 816 HA ALA 116 HA ALA 116 -17.814 -9.280 6.393 817 HB1 ALA 116 HB1 ALA 116 -20.593 -9.366 7.585 818 HB2 ALA 116 HB2 ALA 116 -19.073 -9.390 8.480 819 HB3 ALA 116 HB3 ALA 116 -19.505 -10.747 7.439 820 H THR 117 HN THR 117 -19.272 -11.347 5.454 821 HA THR 117 HA THR 117 -20.492 -10.284 2.994 822 HB THR 117 HB THR 117 -19.788 -12.634 2.085 823 HG1 THR 117 HG1 THR 117 -18.285 -13.671 3.219 824 HG21 THR 117 HG21 THR 117 -17.771 -10.438 2.581 825 HG22 THR 117 HG22 THR 117 -18.920 -10.509 1.245 826 HG23 THR 117 HG23 THR 117 -17.630 -11.706 1.361 827 HA PRO 118 HA PRO 118 -23.972 -12.480 5.100 828 HB2 PRO 118 HB2 PRO 118 -25.415 -10.664 3.246 829 HB3 PRO 118 HB1 PRO 118 -25.707 -10.993 4.957 830 HG2 PRO 118 HG2 PRO 118 -24.589 -8.700 4.175 831 HG3 PRO 118 HG1 PRO 118 -24.065 -9.516 5.659 832 HD2 PRO 118 HD2 PRO 118 -22.741 -9.420 2.977 833 HD3 PRO 118 HD1 PRO 118 -22.015 -9.360 4.597 834 HA PRO 119 HA PRO 119 -25.129 -14.186 0.817 835 HB2 PRO 119 HB2 PRO 119 -24.350 -12.986 -1.467 836 HB3 PRO 119 HB1 PRO 119 -25.834 -12.531 -0.625 837 HG2 PRO 119 HG2 PRO 119 -23.197 -11.157 -0.694 838 HG3 PRO 119 HG1 PRO 119 -24.827 -10.464 -0.650 839 HD2 PRO 119 HD2 PRO 119 -23.130 -10.716 1.532 840 HD3 PRO 119 HD1 PRO 119 -24.887 -10.498 1.623 841 HA PRO 120 HA PRO 120 -21.008 -15.861 0.851 842 HB2 PRO 120 HB2 PRO 120 -21.683 -18.431 0.441 843 HB3 PRO 120 HB1 PRO 120 -21.969 -17.620 1.985 844 HG2 PRO 120 HG2 PRO 120 -23.884 -18.239 -0.218 845 HG3 PRO 120 HG1 PRO 120 -24.133 -18.298 1.537 846 HD2 PRO 120 HD2 PRO 120 -24.947 -16.230 -0.110 847 HD3 PRO 120 HD1 PRO 120 -24.686 -16.089 1.639 848 H GLU 121 HN GLU 121 -20.395 -14.767 -1.155 849 HA GLU 121 HA GLU 121 -20.731 -16.099 -3.655 850 HB2 GLU 121 HB2 GLU 121 -18.921 -13.932 -2.659 851 HB3 GLU 121 HB1 GLU 121 -18.529 -14.737 -4.170 852 HG2 GLU 121 HG2 GLU 121 -19.734 -12.824 -4.770 853 HG3 GLU 121 HG1 GLU 121 -20.864 -14.163 -4.936 854 H ILE 122 HN ILE 122 -20.323 -18.263 -2.988 855 HA ILE 122 HA ILE 122 -17.890 -19.165 -1.921 856 HB ILE 122 HB ILE 122 -19.803 -20.712 -3.679 857 HG12 ILE 122 HG12 ILE 122 -20.943 -19.769 -1.731 858 HG13 ILE 122 HG11 ILE 122 -20.778 -21.513 -1.561 859 HG21 ILE 122 HG21 ILE 122 -17.616 -21.786 -3.470 860 HG22 ILE 122 HG22 ILE 122 -18.865 -22.699 -2.625 861 HG23 ILE 122 HG23 ILE 122 -17.739 -21.696 -1.711 862 HD11 ILE 122 HD11 ILE 122 -18.917 -21.200 -0.033 863 HD12 ILE 122 HD12 ILE 122 -20.350 -20.341 0.531 864 HD13 ILE 122 HD13 ILE 122 -19.034 -19.452 -0.235 865 HA PRO 123 HA PRO 123 -16.390 -20.030 -6.422 866 HB2 PRO 123 HB2 PRO 123 -18.243 -18.607 -8.189 867 HB3 PRO 123 HB1 PRO 123 -17.691 -20.282 -8.268 868 HG2 PRO 123 HG2 PRO 123 -20.221 -19.638 -7.595 869 HG3 PRO 123 HG1 PRO 123 -19.388 -21.043 -6.905 870 HD2 PRO 123 HD2 PRO 123 -19.833 -18.332 -5.710 871 HD3 PRO 123 HD1 PRO 123 -19.988 -19.932 -4.955 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 -0.994 11.838 -6.676 2 H2 ALA 1 HT2 ALA 1 -2.345 12.662 -6.064 3 H3 ALA 1 HT3 ALA 1 -2.241 12.304 -7.721 4 HA ALA 1 HA ALA 1 -2.450 9.982 -7.334 5 HB1 ALA 1 HB1 ALA 1 -2.602 9.025 -5.164 6 HB2 ALA 1 HB2 ALA 1 -2.618 10.617 -4.398 7 HB3 ALA 1 HB3 ALA 1 -1.157 10.040 -5.199 8 HA PRO 2 HA PRO 2 -6.745 10.881 -7.575 9 HB2 PRO 2 HB2 PRO 2 -7.024 7.981 -7.802 10 HB3 PRO 2 HB1 PRO 2 -7.447 9.245 -8.945 11 HG2 PRO 2 HG2 PRO 2 -5.359 7.671 -9.435 12 HG3 PRO 2 HG1 PRO 2 -5.244 9.415 -9.757 13 HD2 PRO 2 HD2 PRO 2 -4.309 7.911 -7.334 14 HD3 PRO 2 HD1 PRO 2 -3.399 9.057 -8.347 15 H THR 3 HN THR 3 -5.557 8.283 -5.504 16 HA THR 3 HA THR 3 -7.786 8.856 -3.705 17 HB THR 3 HB THR 3 -7.914 6.440 -3.143 18 HG1 THR 3 HG1 THR 3 -6.790 5.717 -5.585 19 HG21 THR 3 HG21 THR 3 -9.583 7.428 -4.594 20 HG22 THR 3 HG22 THR 3 -9.189 5.812 -5.183 21 HG23 THR 3 HG23 THR 3 -8.528 7.238 -5.998 22 H LEU 4 HN LEU 4 -7.378 7.643 -1.522 23 HA LEU 4 HA LEU 4 -5.086 8.923 -0.521 24 HB2 LEU 4 HB2 LEU 4 -7.092 8.715 0.804 25 HB3 LEU 4 HB1 LEU 4 -6.948 6.971 0.799 26 HG LEU 4 HG LEU 4 -4.773 7.252 2.040 27 HD11 LEU 4 HD11 LEU 4 -4.267 9.514 1.423 28 HD12 LEU 4 HD12 LEU 4 -4.517 9.461 3.177 29 HD13 LEU 4 HD13 LEU 4 -5.787 10.084 2.121 30 HD21 LEU 4 HD21 LEU 4 -7.295 8.301 3.321 31 HD22 LEU 4 HD22 LEU 4 -5.860 7.758 4.190 32 HD23 LEU 4 HD23 LEU 4 -6.788 6.615 3.222 33 H GLN 5 HN GLN 5 -5.803 5.578 -1.289 34 HA GLN 5 HA GLN 5 -3.449 4.451 -0.219 35 HB2 GLN 5 HB2 GLN 5 -5.498 3.193 -0.840 36 HB3 GLN 5 HB1 GLN 5 -5.108 3.454 -2.536 37 HG2 GLN 5 HG2 GLN 5 -3.125 2.152 -0.735 38 HG3 GLN 5 HG1 GLN 5 -4.474 1.230 -1.376 39 HE21 GLN 5 HE21 GLN 5 -1.591 0.978 -1.861 40 HE22 GLN 5 HE22 GLN 5 -1.369 1.160 -3.564 41 H GLU 6 HN GLU 6 -4.192 5.886 -3.379 42 HA GLU 6 HA GLU 6 -1.705 5.181 -4.568 43 HB2 GLU 6 HB2 GLU 6 -3.794 5.913 -5.801 44 HB3 GLU 6 HB1 GLU 6 -3.392 7.558 -5.325 45 HG2 GLU 6 HG2 GLU 6 -2.335 7.601 -7.288 46 HG3 GLU 6 HG1 GLU 6 -1.052 6.807 -6.390 47 H ALA 7 HN ALA 7 -2.818 7.765 -2.530 48 HA ALA 7 HA ALA 7 -0.599 9.524 -2.847 49 HB1 ALA 7 HB1 ALA 7 -2.682 10.293 -1.854 50 HB2 ALA 7 HB2 ALA 7 -1.352 10.495 -0.710 51 HB3 ALA 7 HB3 ALA 7 -2.491 9.159 -0.512 52 H LEU 8 HN LEU 8 -1.228 6.684 -0.950 53 HA LEU 8 HA LEU 8 1.103 6.795 0.647 54 HB2 LEU 8 HB2 LEU 8 -0.497 4.456 -0.303 55 HB3 LEU 8 HB1 LEU 8 0.748 4.377 0.921 56 HG LEU 8 HG LEU 8 -1.926 5.710 1.089 57 HD11 LEU 8 HD11 LEU 8 -0.562 3.611 2.768 58 HD12 LEU 8 HD12 LEU 8 -1.789 3.296 1.539 59 HD13 LEU 8 HD13 LEU 8 -2.205 4.218 2.984 60 HD21 LEU 8 HD21 LEU 8 -0.495 7.280 2.082 61 HD22 LEU 8 HD22 LEU 8 0.493 6.020 2.822 62 HD23 LEU 8 HD23 LEU 8 -1.140 6.315 3.415 63 H ASP 9 HN ASP 9 0.287 5.032 -2.314 64 HA ASP 9 HA ASP 9 2.734 3.964 -3.014 65 HB2 ASP 9 HB2 ASP 9 0.485 5.090 -4.710 66 HB3 ASP 9 HB1 ASP 9 1.894 4.302 -5.418 67 H ARG 10 HN ARG 10 1.712 7.217 -2.934 68 HA ARG 10 HA ARG 10 3.614 8.225 -4.874 69 HB2 ARG 10 HB2 ARG 10 1.190 8.997 -4.383 70 HB3 ARG 10 HB1 ARG 10 1.867 9.793 -2.975 71 HG2 ARG 10 HG2 ARG 10 3.038 11.314 -4.258 72 HG3 ARG 10 HG1 ARG 10 2.919 10.332 -5.724 73 HD2 ARG 10 HD2 ARG 10 0.414 10.651 -5.520 74 HD3 ARG 10 HD1 ARG 10 0.769 11.890 -4.322 75 HE ARG 10 HE ARG 10 1.944 12.104 -7.005 76 HH11 ARG 10 HH11 ARG 10 -0.170 13.350 -4.499 77 HH12 ARG 10 HH12 ARG 10 -0.517 14.820 -5.355 78 HH21 ARG 10 HH21 ARG 10 1.477 14.037 -8.127 79 HH22 ARG 10 HH22 ARG 10 0.406 15.210 -7.413 80 H LYS 11 HN LYS 11 3.173 8.038 -1.391 81 HA LYS 11 HA LYS 11 5.555 9.510 -0.778 82 HB2 LYS 11 HB2 LYS 11 3.598 9.136 0.784 83 HB3 LYS 11 HB1 LYS 11 4.224 7.505 0.991 84 HG2 LYS 11 HG2 LYS 11 5.024 8.993 2.763 85 HG3 LYS 11 HG1 LYS 11 6.341 8.367 1.777 86 HD2 LYS 11 HD2 LYS 11 6.600 10.727 2.301 87 HD3 LYS 11 HD1 LYS 11 6.484 10.431 0.573 88 HE2 LYS 11 HE2 LYS 11 4.104 11.021 0.643 89 HE3 LYS 11 HE1 LYS 11 4.260 11.312 2.361 90 HZ1 LYS 11 HZ1 LYS 11 5.910 13.057 1.836 91 HZ2 LYS 11 HZ2 LYS 11 4.359 13.399 1.250 92 HZ3 LYS 11 HZ3 LYS 11 5.557 12.846 0.189 93 H CYS 12 HN CYS 12 4.548 6.163 -1.048 94 HA CYS 12 HA CYS 12 6.860 4.755 -0.547 95 HB2 CYS 12 HB2 CYS 12 4.693 4.294 -2.594 96 HB3 CYS 12 HB1 CYS 12 5.910 3.100 -2.187 97 HG CYS 12 HG CYS 12 3.674 4.392 0.050 98 H ALA 13 HN ALA 13 5.931 6.517 -3.433 99 HA ALA 13 HA ALA 13 8.139 5.582 -4.994 100 HB1 ALA 13 HB1 ALA 13 6.028 7.702 -5.346 101 HB2 ALA 13 HB2 ALA 13 6.318 6.221 -6.277 102 HB3 ALA 13 HB3 ALA 13 7.410 7.592 -6.455 103 H GLN 14 HN GLN 14 7.619 8.092 -2.690 104 HA GLN 14 HA GLN 14 9.804 9.763 -3.456 105 HB2 GLN 14 HB2 GLN 14 8.141 9.556 -0.974 106 HB3 GLN 14 HB1 GLN 14 9.491 10.680 -1.114 107 HG2 GLN 14 HG2 GLN 14 8.387 11.598 -3.144 108 HG3 GLN 14 HG1 GLN 14 6.994 10.604 -2.755 109 HE21 GLN 14 HE21 GLN 14 9.016 12.107 -0.334 110 HE22 GLN 14 HE22 GLN 14 7.848 13.270 0.199 111 H PHE 15 HN PHE 15 9.362 7.024 -1.382 112 HA PHE 15 HA PHE 15 12.047 7.267 -0.259 113 HB2 PHE 15 HB2 PHE 15 9.954 5.151 0.255 114 HB3 PHE 15 HB1 PHE 15 11.431 5.413 1.172 115 HD1 PHE 15 HD2 PHE 15 11.440 8.275 1.530 116 HD2 PHE 15 HD1 PHE 15 8.210 5.524 1.745 117 HE1 PHE 15 HE2 PHE 15 10.252 9.794 3.030 118 HE2 PHE 15 HE1 PHE 15 7.009 7.054 3.255 119 HZ PHE 15 HZ PHE 15 7.939 9.039 3.947 120 H GLY 16 HN GLY 16 10.084 4.721 -1.770 121 HA2 GLY 16 HA2 GLY 16 12.005 2.798 -2.171 122 HA3 GLY 16 HA1 GLY 16 10.613 3.040 -3.208 123 H LYS 17 HN LYS 17 10.932 5.140 -4.603 124 HA LYS 17 HA LYS 17 12.983 4.334 -6.397 125 HB2 LYS 17 HB2 LYS 17 11.250 6.784 -6.577 126 HB3 LYS 17 HB1 LYS 17 12.059 5.923 -7.887 127 HG2 LYS 17 HG2 LYS 17 10.025 4.560 -6.194 128 HG3 LYS 17 HG1 LYS 17 9.554 5.555 -7.548 129 HD2 LYS 17 HD2 LYS 17 11.523 3.296 -7.777 130 HD3 LYS 17 HD1 LYS 17 9.781 3.089 -8.020 131 HE2 LYS 17 HE2 LYS 17 9.815 4.833 -9.712 132 HE3 LYS 17 HE1 LYS 17 11.549 5.018 -9.492 133 HZ1 LYS 17 HZ1 LYS 17 10.108 2.669 -10.588 134 HZ2 LYS 17 HZ2 LYS 17 11.740 2.626 -10.137 135 HZ3 LYS 17 HZ3 LYS 17 11.239 3.656 -11.385 136 H GLU 18 HN GLU 18 12.766 6.681 -3.880 137 HA GLU 18 HA GLU 18 14.981 8.279 -4.631 138 HB2 GLU 18 HB2 GLU 18 13.641 9.048 -2.834 139 HB3 GLU 18 HB1 GLU 18 13.847 7.554 -1.927 140 HG2 GLU 18 HG2 GLU 18 16.275 8.112 -1.734 141 HG3 GLU 18 HG1 GLU 18 15.925 9.667 -2.486 142 H SER 19 HN SER 19 14.711 5.309 -2.703 143 HA SER 19 HA SER 19 17.430 4.790 -2.359 144 HB2 SER 19 HB2 SER 19 15.278 2.746 -2.898 145 HB3 SER 19 HB1 SER 19 16.804 2.484 -2.049 146 HG SER 19 HG SER 19 15.571 4.487 -0.830 147 H CYS 20 HN CYS 20 15.245 4.024 -4.994 148 HA CYS 20 HA CYS 20 17.021 2.717 -6.693 149 HB2 CYS 20 HB2 CYS 20 14.983 2.509 -7.607 150 HB3 CYS 20 HB1 CYS 20 14.403 4.004 -6.884 151 HG CYS 20 HG CYS 20 14.411 5.368 -9.072 152 H ASN 21 HN ASN 21 16.340 6.181 -6.321 153 HA ASN 21 HA ASN 21 18.107 7.084 -8.335 154 HB2 ASN 21 HB2 ASN 21 16.811 8.366 -5.961 155 HB3 ASN 21 HB1 ASN 21 18.109 9.211 -6.796 156 HD21 ASN 21 HD21 ASN 21 14.830 8.129 -6.961 157 HD22 ASN 21 HD22 ASN 21 14.417 8.987 -8.407 158 H SER 22 HN SER 22 18.557 6.234 -4.978 159 HA SER 22 HA SER 22 21.191 7.332 -4.774 160 HB2 SER 22 HB2 SER 22 19.808 5.308 -3.002 161 HB3 SER 22 HB1 SER 22 21.235 6.258 -2.586 162 HG SER 22 HG SER 22 18.624 7.245 -3.141 163 H GLY 23 HN GLY 23 19.874 4.326 -5.887 164 HA2 GLY 23 HA2 GLY 23 21.628 3.306 -7.444 165 HA3 GLY 23 HA1 GLY 23 22.593 3.186 -5.982 166 H LEU 24 HN LEU 24 19.289 2.700 -5.402 167 HA LEU 24 HA LEU 24 19.721 -0.111 -4.947 168 HB2 LEU 24 HB2 LEU 24 17.761 1.887 -4.172 169 HB3 LEU 24 HB1 LEU 24 17.013 0.370 -4.633 170 HG LEU 24 HG LEU 24 17.637 0.747 -2.161 171 HD11 LEU 24 HD11 LEU 24 16.870 -1.377 -2.989 172 HD12 LEU 24 HD12 LEU 24 18.220 -1.621 -1.883 173 HD13 LEU 24 HD13 LEU 24 18.473 -1.745 -3.625 174 HD21 LEU 24 HD21 LEU 24 19.939 -0.017 -1.635 175 HD22 LEU 24 HD22 LEU 24 19.881 1.541 -2.459 176 HD23 LEU 24 HD23 LEU 24 20.319 0.083 -3.357 177 H ALA 25 HN ALA 25 19.746 -1.419 -6.554 178 HA ALA 25 HA ALA 25 18.668 -0.858 -9.109 179 HB1 ALA 25 HB1 ALA 25 19.566 -3.516 -8.033 180 HB2 ALA 25 HB2 ALA 25 20.631 -2.279 -8.707 181 HB3 ALA 25 HB3 ALA 25 19.417 -3.050 -9.727 182 H SER 26 HN SER 26 17.233 -2.167 -6.320 183 HA SER 26 HA SER 26 15.303 -3.832 -7.534 184 HB2 SER 26 HB2 SER 26 14.111 -3.543 -5.347 185 HB3 SER 26 HB1 SER 26 15.758 -4.161 -5.243 186 HG SER 26 HG SER 26 16.146 -2.541 -3.984 187 H TYR 27 HN TYR 27 14.876 -0.585 -6.073 188 HA TYR 27 HA TYR 27 12.258 -0.316 -7.160 189 HB2 TYR 27 HB2 TYR 27 13.892 2.036 -6.213 190 HB3 TYR 27 HB1 TYR 27 12.155 1.770 -6.121 191 HD1 TYR 27 HD2 TYR 27 11.262 0.011 -4.543 192 HD2 TYR 27 HD1 TYR 27 15.296 1.404 -4.391 193 HE1 TYR 27 HE2 TYR 27 11.477 -0.909 -2.269 194 HE2 TYR 27 HE1 TYR 27 15.520 0.464 -2.125 195 HH TYR 27 HH TYR 27 14.044 -0.137 -0.215 196 H CYS 28 HN CYS 28 15.336 0.113 -8.531 197 HA CYS 28 HA CYS 28 14.809 2.154 -10.362 198 HB2 CYS 28 HB2 CYS 28 16.732 -0.125 -10.205 199 HB3 CYS 28 HB1 CYS 28 16.644 0.845 -11.653 200 HG CYS 28 HG CYS 28 16.919 3.204 -9.771 201 H GLY 29 HN GLY 29 13.359 2.160 -11.973 202 HA2 GLY 29 HA2 GLY 29 12.065 1.433 -13.729 203 HA3 GLY 29 HA1 GLY 29 13.042 -0.027 -13.763 204 H ALA 30 HN ALA 30 11.721 0.559 -10.712 205 HA ALA 30 HA ALA 30 9.681 -1.494 -11.179 206 HB1 ALA 30 HB1 ALA 30 11.277 -2.152 -9.537 207 HB2 ALA 30 HB2 ALA 30 9.762 -1.785 -8.705 208 HB3 ALA 30 HB3 ALA 30 11.094 -0.626 -8.671 209 H ALA 31 HN ALA 31 7.705 -1.326 -9.945 210 HA ALA 31 HA ALA 31 6.715 1.421 -9.668 211 HB1 ALA 31 HB1 ALA 31 4.498 0.406 -9.921 212 HB2 ALA 31 HB2 ALA 31 5.260 -1.181 -10.095 213 HB3 ALA 31 HB3 ALA 31 5.540 0.080 -11.306 214 H ILE 32 HN ILE 32 6.641 2.073 -7.515 215 HA ILE 32 HA ILE 32 6.533 -0.128 -5.591 216 HB ILE 32 HB ILE 32 8.477 1.394 -5.378 217 HG12 ILE 32 HG12 ILE 32 6.878 1.859 -2.920 218 HG13 ILE 32 HG11 ILE 32 7.067 0.191 -3.447 219 HG21 ILE 32 HG21 ILE 32 8.110 3.620 -4.415 220 HG22 ILE 32 HG22 ILE 32 6.377 3.418 -4.670 221 HG23 ILE 32 HG23 ILE 32 7.473 3.455 -6.055 222 HD11 ILE 32 HD11 ILE 32 8.737 0.970 -1.790 223 HD12 ILE 32 HD12 ILE 32 9.360 2.076 -3.020 224 HD13 ILE 32 HD13 ILE 32 9.425 0.319 -3.289 225 H TYR 33 HN TYR 33 5.018 -0.366 -4.135 226 HA TYR 33 HA TYR 33 2.772 1.536 -4.188 227 HB2 TYR 33 HB2 TYR 33 2.572 -1.477 -4.060 228 HB3 TYR 33 HB1 TYR 33 1.238 -0.337 -4.153 229 HD1 TYR 33 HD1 TYR 33 0.867 0.948 -6.253 230 HD2 TYR 33 HD2 TYR 33 3.687 -2.222 -6.010 231 HE1 TYR 33 HE1 TYR 33 0.896 0.805 -8.698 232 HE2 TYR 33 HE2 TYR 33 3.734 -2.370 -8.468 233 HH TYR 33 HH TYR 33 2.314 0.030 -10.478 234 H ALA 34 HN ALA 34 1.486 1.579 -2.304 235 HA ALA 34 HA ALA 34 2.911 0.904 0.141 236 HB1 ALA 34 HB1 ALA 34 1.349 2.230 1.261 237 HB2 ALA 34 HB2 ALA 34 0.157 2.070 -0.032 238 HB3 ALA 34 HB3 ALA 34 1.605 3.058 -0.285 239 H ARG 35 HN ARG 35 2.651 -1.008 1.068 240 HA ARG 35 HA ARG 35 -0.051 -2.114 1.043 241 HB2 ARG 35 HB2 ARG 35 1.833 -3.194 -0.594 242 HB3 ARG 35 HB1 ARG 35 2.115 -4.130 0.865 243 HG2 ARG 35 HG2 ARG 35 0.550 -5.246 -0.617 244 HG3 ARG 35 HG1 ARG 35 -0.223 -4.800 0.904 245 HD2 ARG 35 HD2 ARG 35 -1.681 -4.324 -0.991 246 HD3 ARG 35 HD1 ARG 35 -1.217 -2.840 -0.162 247 HE ARG 35 HE ARG 35 0.617 -3.044 -2.145 248 HH11 ARG 35 HH11 ARG 35 -2.873 -3.224 -2.184 249 HH12 ARG 35 HH12 ARG 35 -3.018 -2.457 -3.731 250 HH21 ARG 35 HH21 ARG 35 0.414 -2.014 -4.183 251 HH22 ARG 35 HH22 ARG 35 -1.168 -1.765 -4.865 252 H TYR 36 HN TYR 36 -0.699 -2.290 3.011 253 HA TYR 36 HA TYR 36 1.024 -2.468 5.299 254 HB2 TYR 36 HB2 TYR 36 -1.320 -1.460 5.211 255 HB3 TYR 36 HB1 TYR 36 -1.931 -3.109 5.134 256 HD1 TYR 36 HD1 TYR 36 -0.054 -0.722 7.188 257 HD2 TYR 36 HD2 TYR 36 -2.111 -4.433 7.093 258 HE1 TYR 36 HE1 TYR 36 0.067 -0.819 9.620 259 HE2 TYR 36 HE2 TYR 36 -2.016 -4.556 9.538 260 HH TYR 36 HH TYR 36 -0.663 -3.643 11.382 261 H ASP 37 HN ASP 37 2.289 -4.315 4.940 262 HA ASP 37 HA ASP 37 1.024 -6.887 5.310 263 HB2 ASP 37 HB2 ASP 37 1.342 -6.074 2.690 264 HB3 ASP 37 HB1 ASP 37 2.832 -6.965 2.991 265 H LYS 38 HN LYS 38 3.115 -8.530 4.681 266 HA LYS 38 HA LYS 38 5.053 -7.829 6.723 267 HB2 LYS 38 HB2 LYS 38 5.058 -10.195 4.854 268 HB3 LYS 38 HB1 LYS 38 5.948 -10.042 6.357 269 HG2 LYS 38 HG2 LYS 38 4.017 -10.289 7.655 270 HG3 LYS 38 HG1 LYS 38 2.949 -10.008 6.278 271 HD2 LYS 38 HD2 LYS 38 4.599 -12.427 6.942 272 HD3 LYS 38 HD1 LYS 38 2.867 -12.325 6.609 273 HE2 LYS 38 HE2 LYS 38 3.485 -11.607 4.273 274 HE3 LYS 38 HE1 LYS 38 5.144 -12.045 4.670 275 HZ1 LYS 38 HZ1 LYS 38 4.387 -14.314 5.107 276 HZ2 LYS 38 HZ2 LYS 38 4.037 -13.838 3.518 277 HZ3 LYS 38 HZ3 LYS 38 2.803 -13.876 4.680 278 H GLY 39 HN GLY 39 7.370 -7.859 6.307 279 HA2 GLY 39 HA2 GLY 39 8.065 -6.841 3.644 280 HA3 GLY 39 HA1 GLY 39 9.090 -6.785 5.075 281 H ASN 40 HN ASN 40 10.831 -8.041 4.843 282 HA ASN 40 HA ASN 40 10.815 -10.385 3.174 283 HB2 ASN 40 HB2 ASN 40 12.827 -8.816 3.664 284 HB3 ASN 40 HB1 ASN 40 12.967 -9.703 5.180 285 HD21 ASN 40 HD21 ASN 40 13.314 -9.823 1.741 286 HD22 ASN 40 HD22 ASN 40 14.191 -11.314 1.667 287 H SER 41 HN SER 41 12.159 -12.316 4.681 288 HA SER 41 HA SER 41 10.009 -13.626 5.854 289 HB2 SER 41 HB2 SER 41 12.950 -14.122 6.363 290 HB3 SER 41 HB1 SER 41 11.639 -15.273 6.622 291 HG SER 41 HG SER 41 11.374 -15.501 4.482 292 H SER 42 HN SER 42 12.698 -11.961 7.498 293 HA SER 42 HA SER 42 11.631 -12.505 10.103 294 HB2 SER 42 HB2 SER 42 13.785 -10.521 9.351 295 HB3 SER 42 HB1 SER 42 13.530 -11.280 10.924 296 HG SER 42 HG SER 42 15.229 -12.186 9.475 297 H GLN 43 HN GLN 43 10.764 -10.362 7.741 298 HA GLN 43 HA GLN 43 10.155 -8.151 9.565 299 HB2 GLN 43 HB2 GLN 43 10.528 -8.316 6.599 300 HB3 GLN 43 HB1 GLN 43 9.594 -7.003 7.289 301 HG2 GLN 43 HG2 GLN 43 11.835 -6.273 6.902 302 HG3 GLN 43 HG1 GLN 43 11.547 -6.356 8.637 303 HE21 GLN 43 HE21 GLN 43 12.752 -7.725 9.874 304 HE22 GLN 43 HE22 GLN 43 14.081 -8.654 9.252 305 H GLN 44 HN GLN 44 8.553 -10.653 9.362 306 HA GLN 44 HA GLN 44 6.140 -10.218 7.976 307 HB2 GLN 44 HB2 GLN 44 5.195 -11.898 9.482 308 HB3 GLN 44 HB1 GLN 44 6.751 -12.394 8.844 309 HG2 GLN 44 HG2 GLN 44 7.759 -11.606 10.993 310 HG3 GLN 44 HG1 GLN 44 6.115 -11.369 11.576 311 HE21 GLN 44 HE21 GLN 44 5.071 -13.685 10.186 312 HE22 GLN 44 HE22 GLN 44 5.622 -15.063 11.065 313 H THR 45 HN THR 45 4.178 -10.546 10.098 314 HA THR 45 HA THR 45 2.597 -9.268 11.024 315 HB THR 45 HB THR 45 3.323 -7.530 12.714 316 HG1 THR 45 HG1 THR 45 5.605 -7.625 11.556 317 HG21 THR 45 HG21 THR 45 2.723 -9.781 13.362 318 HG22 THR 45 HG22 THR 45 4.088 -9.221 14.326 319 HG23 THR 45 HG23 THR 45 4.352 -10.350 12.997 320 H LYS 46 HN LYS 46 1.443 -8.184 9.641 321 HA LYS 46 HA LYS 46 2.442 -6.436 7.738 322 HB2 LYS 46 HB2 LYS 46 -0.369 -6.431 8.793 323 HB3 LYS 46 HB1 LYS 46 0.167 -5.762 7.269 324 HG2 LYS 46 HG2 LYS 46 1.002 -8.258 6.916 325 HG3 LYS 46 HG1 LYS 46 -0.326 -8.568 8.035 326 HD2 LYS 46 HD2 LYS 46 -1.798 -7.188 6.527 327 HD3 LYS 46 HD1 LYS 46 -0.461 -7.143 5.389 328 HE2 LYS 46 HE2 LYS 46 -0.447 -9.679 5.493 329 HE3 LYS 46 HE1 LYS 46 -2.002 -9.535 6.301 330 HZ1 LYS 46 HZ1 LYS 46 -2.209 -9.892 3.899 331 HZ2 LYS 46 HZ2 LYS 46 -1.383 -8.444 3.609 332 HZ3 LYS 46 HZ3 LYS 46 -2.898 -8.423 4.376 333 H GLU 47 HN GLU 47 3.138 -4.510 7.802 334 HA GLU 47 HA GLU 47 1.741 -2.455 9.338 335 HB2 GLU 47 HB2 GLU 47 4.754 -2.731 9.359 336 HB3 GLU 47 HB1 GLU 47 3.852 -1.352 9.980 337 HG2 GLU 47 HG2 GLU 47 2.845 -2.733 11.676 338 HG3 GLU 47 HG1 GLU 47 3.589 -4.163 10.986 339 H TRP 48 HN TRP 48 1.876 -0.412 8.310 340 HA TRP 48 HA TRP 48 1.843 -0.453 5.563 341 HB2 TRP 48 HB2 TRP 48 2.201 1.739 7.551 342 HB3 TRP 48 HB1 TRP 48 2.350 2.069 5.833 343 HD1 TRP 48 HD1 TRP 48 -0.125 2.219 8.438 344 HE1 TRP 48 HE1 TRP 48 -2.500 2.249 7.443 345 HE3 TRP 48 HE3 TRP 48 0.935 0.587 3.708 346 HZ2 TRP 48 HZ2 TRP 48 -3.765 1.611 4.996 347 HZ3 TRP 48 HZ3 TRP 48 -0.919 0.311 2.109 348 HH2 TRP 48 HH2 TRP 48 -3.218 0.811 2.751 349 H ARG 49 HN ARG 49 3.421 -0.826 4.153 350 HA ARG 49 HA ARG 49 5.983 0.492 4.587 351 HB2 ARG 49 HB2 ARG 49 5.629 -2.454 4.022 352 HB3 ARG 49 HB1 ARG 49 7.155 -1.604 3.817 353 HG2 ARG 49 HG2 ARG 49 7.344 -1.170 6.110 354 HG3 ARG 49 HG1 ARG 49 5.672 -1.611 6.423 355 HD2 ARG 49 HD2 ARG 49 6.567 -3.915 5.375 356 HD3 ARG 49 HD1 ARG 49 8.063 -3.303 6.085 357 HE ARG 49 HE ARG 49 5.759 -3.217 7.807 358 HH11 ARG 49 HH11 ARG 49 8.574 -4.990 6.819 359 HH12 ARG 49 HH12 ARG 49 8.581 -6.015 8.213 360 HH21 ARG 49 HH21 ARG 49 5.750 -4.551 9.664 361 HH22 ARG 49 HH22 ARG 49 6.980 -5.760 9.850 362 H CYS 50 HN CYS 50 7.328 0.363 2.593 363 HA CYS 50 HA CYS 50 5.605 0.710 0.249 364 HB2 CYS 50 HB2 CYS 50 8.520 1.466 0.588 365 HB3 CYS 50 HB1 CYS 50 7.407 2.038 -0.653 366 HG CYS 50 HG CYS 50 5.782 3.321 1.417 367 H TYR 51 HN TYR 51 5.555 -0.861 -1.199 368 HA TYR 51 HA TYR 51 7.828 -2.742 -1.403 369 HB2 TYR 51 HB2 TYR 51 4.874 -3.372 -1.642 370 HB3 TYR 51 HB1 TYR 51 6.172 -4.525 -1.887 371 HD1 TYR 51 HD1 TYR 51 7.932 -4.175 0.277 372 HD2 TYR 51 HD2 TYR 51 3.705 -3.860 0.250 373 HE1 TYR 51 HE1 TYR 51 7.879 -4.793 2.661 374 HE2 TYR 51 HE2 TYR 51 3.631 -4.467 2.635 375 HH TYR 51 HH TYR 51 6.279 -4.419 4.617 376 H ILE 52 HN ILE 52 8.664 -2.657 -3.473 377 HA ILE 52 HA ILE 52 7.124 -1.484 -5.570 378 HB ILE 52 HB ILE 52 8.971 -2.437 -7.064 379 HG12 ILE 52 HG12 ILE 52 10.261 -2.766 -4.436 380 HG13 ILE 52 HG11 ILE 52 9.748 -4.105 -5.473 381 HG21 ILE 52 HG21 ILE 52 8.767 -0.077 -6.246 382 HG22 ILE 52 HG22 ILE 52 10.414 -0.614 -6.578 383 HG23 ILE 52 HG23 ILE 52 9.835 -0.536 -4.910 384 HD11 ILE 52 HD11 ILE 52 11.311 -3.519 -7.141 385 HD12 ILE 52 HD12 ILE 52 12.178 -3.469 -5.601 386 HD13 ILE 52 HD13 ILE 52 11.649 -1.961 -6.372 387 H GLU 53 HN GLU 53 6.358 -2.498 -7.430 388 HA GLU 53 HA GLU 53 4.669 -4.612 -7.025 389 HB2 GLU 53 HB2 GLU 53 4.420 -3.018 -8.829 390 HB3 GLU 53 HB1 GLU 53 5.849 -3.651 -9.634 391 HG2 GLU 53 HG2 GLU 53 4.747 -5.803 -9.900 392 HG3 GLU 53 HG1 GLU 53 3.318 -5.169 -9.066 393 H LYS 54 HN LYS 54 7.989 -4.657 -7.806 394 HA LYS 54 HA LYS 54 8.508 -7.100 -8.914 395 HB2 LYS 54 HB2 LYS 54 10.031 -5.147 -7.852 396 HB3 LYS 54 HB1 LYS 54 10.111 -6.285 -6.524 397 HG2 LYS 54 HG2 LYS 54 11.120 -7.946 -7.892 398 HG3 LYS 54 HG1 LYS 54 10.832 -7.007 -9.357 399 HD2 LYS 54 HD2 LYS 54 13.151 -6.802 -8.714 400 HD3 LYS 54 HD1 LYS 54 12.336 -5.254 -8.496 401 HE2 LYS 54 HE2 LYS 54 13.720 -5.577 -6.598 402 HE3 LYS 54 HE1 LYS 54 12.056 -5.853 -6.079 403 HZ1 LYS 54 HZ1 LYS 54 12.407 -8.186 -6.080 404 HZ2 LYS 54 HZ2 LYS 54 13.714 -7.498 -5.247 405 HZ3 LYS 54 HZ3 LYS 54 13.919 -8.038 -6.839 406 H GLU 55 HN GLU 55 7.670 -6.261 -5.653 407 HA GLU 55 HA GLU 55 8.365 -8.900 -4.664 408 HB2 GLU 55 HB2 GLU 55 7.706 -6.415 -3.132 409 HB3 GLU 55 HB1 GLU 55 8.572 -7.826 -2.564 410 HG2 GLU 55 HG2 GLU 55 9.561 -6.019 -4.763 411 HG3 GLU 55 HG1 GLU 55 9.996 -5.859 -3.052 412 H LEU 56 HN LEU 56 5.601 -6.718 -4.947 413 HA LEU 56 HA LEU 56 3.879 -8.160 -3.236 414 HB2 LEU 56 HB2 LEU 56 3.285 -6.317 -5.534 415 HB3 LEU 56 HB1 LEU 56 2.046 -7.098 -4.599 416 HG LEU 56 HG LEU 56 2.911 -5.891 -2.537 417 HD11 LEU 56 HD11 LEU 56 5.169 -5.481 -3.417 418 HD12 LEU 56 HD12 LEU 56 4.360 -3.968 -3.000 419 HD13 LEU 56 HD13 LEU 56 4.501 -4.458 -4.689 420 HD21 LEU 56 HD21 LEU 56 1.990 -3.709 -3.323 421 HD22 LEU 56 HD22 LEU 56 0.976 -5.095 -3.728 422 HD23 LEU 56 HD23 LEU 56 1.979 -4.342 -4.975 423 H ASP 57 HN ASP 57 1.968 -9.241 -3.968 424 HA ASP 57 HA ASP 57 2.302 -10.754 -6.472 425 HB2 ASP 57 HB2 ASP 57 2.691 -12.073 -4.300 426 HB3 ASP 57 HB1 ASP 57 0.977 -11.836 -3.982 427 H PHE 58 HN PHE 58 0.721 -10.212 -7.838 428 HA PHE 58 HA PHE 58 -1.685 -8.945 -6.802 429 HB2 PHE 58 HB2 PHE 58 -0.449 -9.218 -9.513 430 HB3 PHE 58 HB1 PHE 58 -2.157 -8.808 -9.372 431 HD1 PHE 58 HD1 PHE 58 1.245 -7.715 -8.343 432 HD2 PHE 58 HD2 PHE 58 -2.841 -6.660 -8.874 433 HE1 PHE 58 HE1 PHE 58 1.823 -5.352 -7.994 434 HE2 PHE 58 HE2 PHE 58 -2.267 -4.287 -8.530 435 HZ PHE 58 HZ PHE 58 0.061 -3.632 -8.088 436 H SER 59 HN SER 59 -0.870 -12.027 -6.984 437 HA SER 59 HA SER 59 -3.551 -12.899 -7.781 438 HB2 SER 59 HB2 SER 59 -2.731 -15.190 -7.368 439 HB3 SER 59 HB1 SER 59 -1.716 -14.336 -8.527 440 HG SER 59 HG SER 59 -0.197 -13.998 -6.907 441 H LYS 60 HN LYS 60 -1.915 -11.609 -5.290 442 HA LYS 60 HA LYS 60 -3.689 -12.695 -3.225 443 HB2 LYS 60 HB2 LYS 60 -1.056 -11.333 -3.203 444 HB3 LYS 60 HB1 LYS 60 -2.200 -10.822 -2.001 445 HG2 LYS 60 HG2 LYS 60 -0.988 -12.408 -0.880 446 HG3 LYS 60 HG1 LYS 60 -2.411 -13.293 -1.399 447 HD2 LYS 60 HD2 LYS 60 0.116 -13.276 -3.019 448 HD3 LYS 60 HD1 LYS 60 -0.106 -14.398 -1.681 449 HE2 LYS 60 HE2 LYS 60 -2.110 -15.287 -2.782 450 HE3 LYS 60 HE1 LYS 60 -1.858 -14.169 -4.124 451 HZ1 LYS 60 HZ1 LYS 60 -0.971 -16.332 -4.676 452 HZ2 LYS 60 HZ2 LYS 60 -0.013 -16.339 -3.276 453 HZ3 LYS 60 HZ3 LYS 60 0.308 -15.226 -4.514 454 H SER 61 HN SER 61 -5.459 -11.477 -2.716 455 HA SER 61 HA SER 61 -5.480 -8.750 -3.706 456 HB2 SER 61 HB2 SER 61 -7.646 -10.154 -2.133 457 HB3 SER 61 HB1 SER 61 -7.773 -8.643 -3.036 458 HG SER 61 HG SER 61 -7.392 -11.256 -4.063 459 H GLY 62 HN GLY 62 -4.864 -7.125 -2.540 460 HA2 GLY 62 HA2 GLY 62 -3.611 -7.716 -0.026 461 HA3 GLY 62 HA1 GLY 62 -3.537 -6.198 -0.903 462 H ASP 63 HN ASP 63 -5.017 -7.966 1.594 463 HA ASP 63 HA ASP 63 -7.065 -6.016 2.156 464 HB2 ASP 63 HB2 ASP 63 -7.410 -7.312 4.207 465 HB3 ASP 63 HB1 ASP 63 -7.276 -8.403 2.832 466 H GLY 64 HN GLY 64 -4.308 -5.191 1.801 467 HA2 GLY 64 HA2 GLY 64 -3.749 -4.005 4.443 468 HA3 GLY 64 HA1 GLY 64 -2.465 -4.651 3.430 469 H CYS 65 HN CYS 65 -5.229 -2.964 2.166 470 HA CYS 65 HA CYS 65 -3.504 -0.671 1.458 471 HB2 CYS 65 HB2 CYS 65 -6.076 -1.371 0.055 472 HB3 CYS 65 HB1 CYS 65 -4.704 -0.447 -0.553 473 HG CYS 65 HG CYS 65 -5.008 -3.830 -0.260 474 H VAL 66 HN VAL 66 -5.055 1.338 1.103 475 HA VAL 66 HA VAL 66 -7.095 1.282 3.214 476 HB VAL 66 HB VAL 66 -5.482 2.556 4.274 477 HG11 VAL 66 HG11 VAL 66 -3.878 2.637 2.477 478 HG12 VAL 66 HG12 VAL 66 -4.084 4.246 3.174 479 HG13 VAL 66 HG13 VAL 66 -4.848 3.849 1.631 480 HG21 VAL 66 HG21 VAL 66 -6.320 4.712 4.493 481 HG22 VAL 66 HG22 VAL 66 -7.703 3.799 3.859 482 HG23 VAL 66 HG23 VAL 66 -6.742 4.815 2.778 483 H ASP 67 HN ASP 67 -8.876 2.481 2.892 484 HA ASP 67 HA ASP 67 -9.675 2.869 0.156 485 HB2 ASP 67 HB2 ASP 67 -11.095 1.809 1.906 486 HB3 ASP 67 HB1 ASP 67 -11.116 3.330 2.778 487 H ASP 68 HN ASP 68 -11.432 5.131 0.630 488 HA ASP 68 HA ASP 68 -9.638 7.266 0.129 489 HB2 ASP 68 HB2 ASP 68 -11.627 8.782 0.415 490 HB3 ASP 68 HB1 ASP 68 -11.813 7.530 -0.793 491 H CYS 69 HN CYS 69 -11.503 6.420 3.011 492 HA CYS 69 HA CYS 69 -9.898 8.327 4.568 493 HB2 CYS 69 HB2 CYS 69 -12.388 8.103 4.940 494 HB3 CYS 69 HB1 CYS 69 -12.091 6.467 5.511 495 HG CYS 69 HG CYS 69 -12.586 8.225 7.669 496 H GLY 70 HN GLY 70 -9.131 7.217 6.795 497 HA2 GLY 70 HA2 GLY 70 -7.338 5.149 5.868 498 HA3 GLY 70 HA1 GLY 70 -7.326 5.878 7.470 499 H SER 71 HN SER 71 -9.219 3.805 5.394 500 HA SER 71 HA SER 71 -9.543 1.894 7.596 501 HB2 SER 71 HB2 SER 71 -11.709 3.054 7.163 502 HB3 SER 71 HB1 SER 71 -11.615 2.555 5.475 503 HG SER 71 HG SER 71 -12.908 1.212 7.003 504 H MET 72 HN MET 72 -9.096 -0.221 6.945 505 HA MET 72 HA MET 72 -7.453 -0.211 4.595 506 HB2 MET 72 HB2 MET 72 -7.985 -2.471 6.511 507 HB3 MET 72 HB1 MET 72 -6.745 -2.424 5.263 508 HG2 MET 72 HG2 MET 72 -5.679 -0.539 6.374 509 HG3 MET 72 HG1 MET 72 -6.913 -0.576 7.629 510 HE1 MET 72 HE1 MET 72 -3.779 -0.630 8.222 511 HE2 MET 72 HE2 MET 72 -3.727 -1.839 9.504 512 HE3 MET 72 HE3 MET 72 -5.027 -0.648 9.470 513 H THR 73 HN THR 73 -8.076 -0.625 2.695 514 HA THR 73 HA THR 73 -10.465 -2.239 2.223 515 HB THR 73 HB THR 73 -10.450 0.039 1.219 516 HG1 THR 73 HG1 THR 73 -10.307 -2.116 -0.667 517 HG21 THR 73 HG21 THR 73 -8.115 -1.055 -0.361 518 HG22 THR 73 HG22 THR 73 -8.054 0.253 0.823 519 HG23 THR 73 HG23 THR 73 -8.945 0.468 -0.686 520 H SER 74 HN SER 74 -10.407 -3.894 0.632 521 HA SER 74 HA SER 74 -7.828 -5.141 0.391 522 HB2 SER 74 HB2 SER 74 -9.434 -6.923 -0.730 523 HB3 SER 74 HB1 SER 74 -9.391 -6.709 1.019 524 HG SER 74 HG SER 74 -11.378 -6.077 0.966 525 H CYS 75 HN CYS 75 -6.600 -4.805 -1.293 526 HA CYS 75 HA CYS 75 -7.750 -4.483 -3.965 527 HB2 CYS 75 HB2 CYS 75 -7.434 -2.203 -3.088 528 HB3 CYS 75 HB1 CYS 75 -5.746 -2.570 -2.775 529 HG CYS 75 HG CYS 75 -5.372 -1.147 -4.963 530 H ARG 76 HN ARG 76 -6.517 -5.423 -5.543 531 HA ARG 76 HA ARG 76 -4.871 -7.507 -4.647 532 HB2 ARG 76 HB2 ARG 76 -5.524 -6.480 -7.375 533 HB3 ARG 76 HB1 ARG 76 -4.365 -7.773 -7.145 534 HG2 ARG 76 HG2 ARG 76 -6.381 -8.871 -7.517 535 HG3 ARG 76 HG1 ARG 76 -6.157 -8.926 -5.780 536 HD2 ARG 76 HD2 ARG 76 -8.052 -7.877 -5.462 537 HD3 ARG 76 HD1 ARG 76 -7.488 -6.532 -6.448 538 HE ARG 76 HE ARG 76 -8.520 -8.796 -7.926 539 HH11 ARG 76 HH11 ARG 76 -9.229 -5.683 -6.491 540 HH12 ARG 76 HH12 ARG 76 -10.701 -5.455 -7.386 541 HH21 ARG 76 HH21 ARG 76 -10.437 -8.504 -9.120 542 HH22 ARG 76 HH22 ARG 76 -11.381 -7.061 -8.891 543 H GLY 77 HN GLY 77 -2.937 -7.606 -4.090 544 HA2 GLY 77 HA2 GLY 77 -0.593 -6.933 -5.077 545 HA3 GLY 77 HA1 GLY 77 -1.127 -5.360 -4.499 546 H SER 78 HN SER 78 0.451 -8.197 -3.591 547 HA SER 78 HA SER 78 0.585 -7.309 -0.881 548 HB2 SER 78 HB2 SER 78 -1.565 -8.324 -0.673 549 HB3 SER 78 HB1 SER 78 -1.080 -9.730 -1.567 550 HG SER 78 HG SER 78 -0.339 -8.951 1.066 551 H VAL 79 HN VAL 79 1.973 -8.290 0.383 552 HA VAL 79 HA VAL 79 4.119 -9.570 -1.014 553 HB VAL 79 HB VAL 79 3.842 -8.701 1.844 554 HG11 VAL 79 HG11 VAL 79 6.159 -9.174 2.189 555 HG12 VAL 79 HG12 VAL 79 6.373 -9.626 0.499 556 HG13 VAL 79 HG13 VAL 79 5.405 -10.646 1.572 557 HG21 VAL 79 HG21 VAL 79 5.505 -7.569 -0.398 558 HG22 VAL 79 HG22 VAL 79 5.334 -6.905 1.229 559 HG23 VAL 79 HG23 VAL 79 3.950 -6.923 0.133 560 H SER 80 HN SER 80 3.541 -11.606 -1.544 561 HA SER 80 HA SER 80 2.207 -13.402 0.193 562 HB2 SER 80 HB2 SER 80 2.994 -15.099 -1.566 563 HB3 SER 80 HB1 SER 80 1.933 -13.801 -2.111 564 HG SER 80 HG SER 80 3.969 -14.314 -3.351 565 H GLY 81 HN GLY 81 5.474 -13.611 -1.170 566 HA2 GLY 81 HA2 GLY 81 6.391 -14.854 1.335 567 HA3 GLY 81 HA1 GLY 81 7.197 -15.013 -0.224 568 HA PRO 82 HA PRO 82 9.278 -11.802 2.559 569 HB2 PRO 82 HB2 PRO 82 11.727 -12.602 1.612 570 HB3 PRO 82 HB1 PRO 82 11.012 -13.095 3.139 571 HG2 PRO 82 HG2 PRO 82 11.017 -14.525 0.509 572 HG3 PRO 82 HG1 PRO 82 11.231 -15.176 2.147 573 HD2 PRO 82 HD2 PRO 82 8.918 -15.447 0.890 574 HD3 PRO 82 HD1 PRO 82 8.949 -15.025 2.619 575 H SER 83 HN SER 83 9.109 -9.873 1.667 576 HA SER 83 HA SER 83 10.049 -9.447 -1.071 577 HB2 SER 83 HB2 SER 83 8.482 -7.658 0.807 578 HB3 SER 83 HB1 SER 83 8.950 -7.231 -0.835 579 HG SER 83 HG SER 83 7.629 -9.649 -0.486 580 H THR 84 HN THR 84 12.069 -8.792 -1.349 581 HA THR 84 HA THR 84 13.654 -7.869 0.856 582 HB THR 84 HB THR 84 14.537 -7.667 -2.003 583 HG1 THR 84 HG1 THR 84 14.006 -9.768 -2.091 584 HG21 THR 84 HG21 THR 84 15.912 -8.328 0.607 585 HG22 THR 84 HG22 THR 84 16.021 -6.808 -0.284 586 HG23 THR 84 HG23 THR 84 16.703 -8.284 -0.970 587 H SER 85 HN SER 85 12.552 -6.415 -2.237 588 HA SER 85 HA SER 85 13.388 -3.812 -1.534 589 HB2 SER 85 HB2 SER 85 12.762 -3.763 -3.788 590 HB3 SER 85 HB1 SER 85 11.367 -4.810 -3.540 591 HG SER 85 HG SER 85 11.492 -2.279 -2.330 592 H HIS 86 HN HIS 86 12.679 -2.742 0.250 593 HA HIS 86 HA HIS 86 9.998 -1.983 0.305 594 HB2 HIS 86 HB2 HIS 86 9.113 -3.027 2.202 595 HB3 HIS 86 HB1 HIS 86 9.733 -4.311 1.184 596 HD1 HIS 86 HD1 HIS 86 11.948 -5.499 1.997 597 HD2 HIS 86 HD2 HIS 86 10.239 -2.878 4.731 598 HE1 HIS 86 HE1 HIS 86 13.044 -6.013 4.200 599 HE2 HIS 86 HE2 HIS 86 12.209 -4.203 5.754 600 H LEU 87 HN LEU 87 9.479 -0.477 1.866 601 HA LEU 87 HA LEU 87 11.611 0.322 3.718 602 HB2 LEU 87 HB2 LEU 87 9.928 2.120 1.975 603 HB3 LEU 87 HB1 LEU 87 10.866 2.708 3.332 604 HG LEU 87 HG LEU 87 12.732 1.296 1.859 605 HD11 LEU 87 HD11 LEU 87 11.206 0.986 0.021 606 HD12 LEU 87 HD12 LEU 87 12.499 2.092 -0.443 607 HD13 LEU 87 HD13 LEU 87 10.897 2.720 -0.049 608 HD21 LEU 87 HD21 LEU 87 13.165 3.410 2.901 609 HD22 LEU 87 HD22 LEU 87 12.051 4.225 1.808 610 HD23 LEU 87 HD23 LEU 87 13.548 3.537 1.183 611 H THR 88 HN THR 88 10.790 -0.092 5.692 612 HA THR 88 HA THR 88 7.958 -0.140 6.125 613 HB THR 88 HB THR 88 10.058 -0.174 8.273 614 HG1 THR 88 HG1 THR 88 9.979 -2.492 8.014 615 HG21 THR 88 HG21 THR 88 7.783 0.091 9.062 616 HG22 THR 88 HG22 THR 88 8.400 -1.513 9.476 617 HG23 THR 88 HG23 THR 88 7.285 -1.321 8.124 618 H ARG 89 HN ARG 89 7.241 1.933 5.645 619 HA ARG 89 HA ARG 89 7.864 3.861 7.788 620 HB2 ARG 89 HB2 ARG 89 6.685 4.532 5.100 621 HB3 ARG 89 HB1 ARG 89 7.377 5.630 6.272 622 HG2 ARG 89 HG2 ARG 89 9.122 3.556 5.103 623 HG3 ARG 89 HG1 ARG 89 8.665 4.940 4.114 624 HD2 ARG 89 HD2 ARG 89 10.223 4.885 6.670 625 HD3 ARG 89 HD1 ARG 89 10.663 5.583 5.108 626 HE ARG 89 HE ARG 89 8.390 6.889 6.164 627 HH11 ARG 89 HH11 ARG 89 11.862 6.625 6.515 628 HH12 ARG 89 HH12 ARG 89 12.044 8.236 7.160 629 HH21 ARG 89 HH21 ARG 89 8.640 9.023 7.023 630 HH22 ARG 89 HH22 ARG 89 10.233 9.578 7.439 631 HA PRO 90 HA PRO 90 3.428 2.467 7.869 632 HB2 PRO 90 HB2 PRO 90 3.720 1.683 10.599 633 HB3 PRO 90 HB1 PRO 90 3.375 0.662 9.222 634 HG2 PRO 90 HG2 PRO 90 5.734 0.625 10.670 635 HG3 PRO 90 HG1 PRO 90 5.526 0.010 9.026 636 HD2 PRO 90 HD2 PRO 90 6.760 2.525 9.956 637 HD3 PRO 90 HD1 PRO 90 7.119 1.549 8.539 638 H SER 91 HN SER 91 5.468 4.350 9.888 639 HA SER 91 HA SER 91 3.505 5.942 11.174 640 HB2 SER 91 HB2 SER 91 6.242 6.801 10.202 641 HB3 SER 91 HB1 SER 91 5.312 7.499 11.539 642 HG SER 91 HG SER 91 5.469 5.143 12.340 643 H GLU 92 HN GLU 92 5.389 6.267 8.222 644 HA GLU 92 HA GLU 92 4.373 8.752 7.404 645 HB2 GLU 92 HB2 GLU 92 6.427 8.168 6.521 646 HB3 GLU 92 HB1 GLU 92 5.940 6.556 6.123 647 HG2 GLU 92 HG2 GLU 92 4.686 8.845 4.723 648 HG3 GLU 92 HG1 GLU 92 6.334 8.382 4.304 649 H LEU 93 HN LEU 93 3.808 5.543 6.026 650 HA LEU 93 HA LEU 93 1.896 6.176 4.168 651 HB2 LEU 93 HB2 LEU 93 2.215 3.741 5.858 652 HB3 LEU 93 HB1 LEU 93 0.833 3.873 4.805 653 HG LEU 93 HG LEU 93 2.279 2.612 3.556 654 HD11 LEU 93 HD11 LEU 93 1.559 4.473 2.204 655 HD12 LEU 93 HD12 LEU 93 3.192 3.984 1.745 656 HD13 LEU 93 HD13 LEU 93 2.947 5.428 2.728 657 HD21 LEU 93 HD21 LEU 93 4.683 2.978 3.312 658 HD22 LEU 93 HD22 LEU 93 4.205 2.679 4.984 659 HD23 LEU 93 HD23 LEU 93 4.580 4.319 4.453 660 H GLN 94 HN GLN 94 1.239 5.335 7.552 661 HA GLN 94 HA GLN 94 -1.591 5.676 7.270 662 HB2 GLN 94 HB2 GLN 94 -0.273 4.247 8.968 663 HB3 GLN 94 HB1 GLN 94 -0.064 5.751 9.851 664 HG2 GLN 94 HG2 GLN 94 -1.877 4.457 10.753 665 HG3 GLN 94 HG1 GLN 94 -2.470 5.972 10.077 666 HE21 GLN 94 HE21 GLN 94 -3.949 5.906 8.411 667 HE22 GLN 94 HE22 GLN 94 -4.608 4.442 7.806 668 H ALA 95 HN ALA 95 1.055 7.732 7.682 669 HA ALA 95 HA ALA 95 -0.255 9.887 9.022 670 HB1 ALA 95 HB1 ALA 95 2.181 10.167 7.320 671 HB2 ALA 95 HB2 ALA 95 2.253 9.414 8.919 672 HB3 ALA 95 HB3 ALA 95 1.714 11.091 8.754 673 H VAL 96 HN VAL 96 0.758 9.294 5.618 674 HA VAL 96 HA VAL 96 -0.534 11.680 4.761 675 HB VAL 96 HB VAL 96 0.547 11.405 2.847 676 HG11 VAL 96 HG11 VAL 96 1.404 8.676 3.755 677 HG12 VAL 96 HG12 VAL 96 2.168 10.194 4.232 678 HG13 VAL 96 HG13 VAL 96 2.188 9.687 2.527 679 HG21 VAL 96 HG21 VAL 96 0.061 9.572 1.275 680 HG22 VAL 96 HG22 VAL 96 -1.405 10.324 1.924 681 HG23 VAL 96 HG23 VAL 96 -0.857 8.758 2.545 682 H ILE 97 HN ILE 97 -1.475 8.380 5.288 683 HA ILE 97 HA ILE 97 -4.003 8.465 4.126 684 HB ILE 97 HB ILE 97 -2.928 7.154 6.582 685 HG12 ILE 97 HG12 ILE 97 -4.309 5.840 4.281 686 HG13 ILE 97 HG11 ILE 97 -2.670 6.447 4.078 687 HG21 ILE 97 HG21 ILE 97 -5.066 6.067 6.961 688 HG22 ILE 97 HG22 ILE 97 -5.795 7.024 5.673 689 HG23 ILE 97 HG23 ILE 97 -5.217 7.816 7.137 690 HD11 ILE 97 HD11 ILE 97 -1.930 5.055 5.929 691 HD12 ILE 97 HD12 ILE 97 -2.669 4.099 4.645 692 HD13 ILE 97 HD13 ILE 97 -3.572 4.442 6.123 693 H ASP 98 HN ASP 98 -3.061 9.285 7.426 694 HA ASP 98 HA ASP 98 -5.412 10.590 8.162 695 HB2 ASP 98 HB2 ASP 98 -3.722 9.850 9.753 696 HB3 ASP 98 HB1 ASP 98 -2.580 11.033 9.126 697 H SER 99 HN SER 99 -2.573 11.818 6.474 698 HA SER 99 HA SER 99 -3.373 14.577 6.684 699 HB2 SER 99 HB2 SER 99 -1.039 14.048 6.725 700 HB3 SER 99 HB1 SER 99 -1.129 13.237 5.158 701 HG SER 99 HG SER 99 -0.628 15.786 5.651 702 H ASP 100 HN ASP 100 -2.790 12.449 3.851 703 HA ASP 100 HA ASP 100 -3.967 14.179 1.979 704 HB2 ASP 100 HB2 ASP 100 -2.941 11.471 2.007 705 HB3 ASP 100 HB1 ASP 100 -4.116 11.774 0.820 706 H LYS 101 HN LYS 101 -5.405 12.156 4.314 707 HA LYS 101 HA LYS 101 -7.859 11.563 3.166 708 HB2 LYS 101 HB2 LYS 101 -6.783 11.866 5.818 709 HB3 LYS 101 HB1 LYS 101 -8.429 12.496 5.741 710 HG2 LYS 101 HG2 LYS 101 -9.329 10.458 5.442 711 HG3 LYS 101 HG1 LYS 101 -7.966 9.872 4.494 712 HD2 LYS 101 HD2 LYS 101 -8.001 8.658 6.535 713 HD3 LYS 101 HD1 LYS 101 -6.654 9.770 6.597 714 HE2 LYS 101 HE2 LYS 101 -9.329 10.225 7.907 715 HE3 LYS 101 HE1 LYS 101 -7.896 9.612 8.723 716 HZ1 LYS 101 HZ1 LYS 101 -8.319 12.317 7.578 717 HZ2 LYS 101 HZ2 LYS 101 -6.789 11.748 8.013 718 HZ3 LYS 101 HZ3 LYS 101 -7.995 11.905 9.191 719 H SER 102 HN SER 102 -6.502 14.643 4.010 720 HA SER 102 HA SER 102 -8.874 16.191 3.895 721 HB2 SER 102 HB2 SER 102 -6.591 16.919 4.755 722 HB3 SER 102 HB1 SER 102 -6.104 17.080 3.068 723 HG SER 102 HG SER 102 -7.910 18.610 4.573 724 H ASN 103 HN ASN 103 -6.924 14.620 1.563 725 HA ASN 103 HA ASN 103 -8.083 16.016 -0.721 726 HB2 ASN 103 HB2 ASN 103 -5.577 15.082 -0.367 727 HB3 ASN 103 HB1 ASN 103 -6.323 13.647 -1.059 728 HD21 ASN 103 HD21 ASN 103 -7.107 13.701 -3.172 729 HD22 ASN 103 HD22 ASN 103 -6.627 14.927 -4.293 730 H TYR 104 HN TYR 104 -8.074 12.928 0.920 731 HA TYR 104 HA TYR 104 -10.501 12.119 -0.482 732 HB2 TYR 104 HB2 TYR 104 -8.800 9.813 -0.133 733 HB3 TYR 104 HB1 TYR 104 -9.626 10.363 -1.583 734 HD1 TYR 104 HD2 TYR 104 -6.543 11.017 0.445 735 HD2 TYR 104 HD1 TYR 104 -8.370 11.033 -3.398 736 HE1 TYR 104 HE2 TYR 104 -4.374 11.527 -0.569 737 HE2 TYR 104 HE1 TYR 104 -6.215 11.517 -4.451 738 HH TYR 104 HH TYR 104 -3.232 11.634 -2.516 739 H CYS 105 HN CYS 105 -11.859 11.544 1.036 740 HA CYS 105 HA CYS 105 -11.194 9.647 3.018 741 HB2 CYS 105 HB2 CYS 105 -10.408 11.344 4.386 742 HB3 CYS 105 HB1 CYS 105 -11.538 12.537 3.759 743 HG CYS 105 HG CYS 105 -12.596 12.395 6.176 744 H THR 106 HN THR 106 -13.363 9.369 4.409 745 HA THR 106 HA THR 106 -15.018 8.267 2.512 746 HB THR 106 HB THR 106 -16.717 8.182 4.462 747 HG1 THR 106 HG1 THR 106 -15.555 9.964 5.592 748 HG21 THR 106 HG21 THR 106 -15.393 6.307 3.804 749 HG22 THR 106 HG22 THR 106 -15.335 6.439 5.562 750 HG23 THR 106 HG23 THR 106 -13.965 6.984 4.588 751 H ASP 107 HN ASP 107 -15.904 9.434 0.965 752 HA ASP 107 HA ASP 107 -18.114 11.173 1.794 753 HB2 ASP 107 HB2 ASP 107 -17.777 12.654 -0.091 754 HB3 ASP 107 HB1 ASP 107 -16.283 12.575 0.829 755 H LYS 108 HN LYS 108 -16.722 8.914 -0.485 756 HA LYS 108 HA LYS 108 -19.429 7.905 -0.904 757 HB2 LYS 108 HB2 LYS 108 -19.021 7.476 -3.256 758 HB3 LYS 108 HB1 LYS 108 -18.823 9.183 -2.911 759 HG2 LYS 108 HG2 LYS 108 -17.042 8.835 -4.282 760 HG3 LYS 108 HG1 LYS 108 -16.282 8.512 -2.722 761 HD2 LYS 108 HD2 LYS 108 -15.658 6.803 -4.333 762 HD3 LYS 108 HD1 LYS 108 -16.664 6.101 -3.066 763 HE2 LYS 108 HE2 LYS 108 -17.386 5.239 -5.184 764 HE3 LYS 108 HE1 LYS 108 -18.623 6.335 -4.571 765 HZ1 LYS 108 HZ1 LYS 108 -18.205 6.666 -6.932 766 HZ2 LYS 108 HZ2 LYS 108 -16.579 7.026 -6.614 767 HZ3 LYS 108 HZ3 LYS 108 -17.802 8.054 -6.044 768 H SER 109 HN SER 109 -16.218 7.366 -0.076 769 HA SER 109 HA SER 109 -14.968 5.562 0.424 770 HB2 SER 109 HB2 SER 109 -16.868 4.852 1.761 771 HB3 SER 109 HB1 SER 109 -17.610 4.097 0.353 772 HG SER 109 HG SER 109 -15.011 3.358 1.205 773 H GLU 110 HN GLU 110 -13.728 5.507 -1.396 774 HA GLU 110 HA GLU 110 -14.878 4.444 -3.845 775 HB2 GLU 110 HB2 GLU 110 -13.518 6.597 -3.704 776 HB3 GLU 110 HB1 GLU 110 -12.103 5.571 -3.507 777 HG2 GLU 110 HG2 GLU 110 -12.318 4.669 -5.656 778 HG3 GLU 110 HG1 GLU 110 -13.969 5.260 -5.832 779 H GLN 111 HN GLN 111 -14.203 2.704 -1.563 780 HA GLN 111 HA GLN 111 -11.986 1.090 -2.443 781 HB2 GLN 111 HB2 GLN 111 -12.628 -0.412 -0.616 782 HB3 GLN 111 HB1 GLN 111 -12.517 1.258 -0.062 783 HG2 GLN 111 HG2 GLN 111 -14.913 1.469 -0.077 784 HG3 GLN 111 HG1 GLN 111 -15.085 -0.145 -0.770 785 HE21 GLN 111 HE21 GLN 111 -14.177 1.675 2.068 786 HE22 GLN 111 HE22 GLN 111 -14.323 0.360 3.191 787 H GLN 112 HN GLN 112 -12.582 -1.426 -2.489 788 HA GLN 112 HA GLN 112 -14.929 -1.774 -4.214 789 HB2 GLN 112 HB2 GLN 112 -12.860 -1.497 -5.607 790 HB3 GLN 112 HB1 GLN 112 -12.206 -2.936 -4.837 791 HG2 GLN 112 HG2 GLN 112 -14.003 -4.278 -5.748 792 HG3 GLN 112 HG1 GLN 112 -14.739 -2.845 -6.463 793 HE21 GLN 112 HE21 GLN 112 -13.767 -1.874 -8.241 794 HE22 GLN 112 HE22 GLN 112 -12.616 -2.723 -9.224 795 HA PRO 113 HA PRO 113 -14.743 -5.193 -1.158 796 HB2 PRO 113 HB2 PRO 113 -17.058 -4.753 0.090 797 HB3 PRO 113 HB1 PRO 113 -15.636 -3.766 0.451 798 HG2 PRO 113 HG2 PRO 113 -18.038 -3.105 -1.184 799 HG3 PRO 113 HG1 PRO 113 -17.072 -2.056 -0.133 800 HD2 PRO 113 HD2 PRO 113 -16.865 -2.260 -2.933 801 HD3 PRO 113 HD1 PRO 113 -15.706 -1.469 -1.849 802 H SER 114 HN SER 114 -15.624 -5.141 -3.969 803 HA SER 114 HA SER 114 -17.467 -7.368 -3.907 804 HB2 SER 114 HB2 SER 114 -18.180 -4.808 -5.369 805 HB3 SER 114 HB1 SER 114 -19.067 -6.327 -5.474 806 HG SER 114 HG SER 114 -18.778 -5.670 -2.902 807 H GLN 115 HN GLN 115 -17.468 -8.548 -5.862 808 HA GLN 115 HA GLN 115 -15.046 -8.305 -7.384 809 HB2 GLN 115 HB2 GLN 115 -17.420 -10.162 -7.607 810 HB3 GLN 115 HB1 GLN 115 -16.015 -10.262 -8.660 811 HG2 GLN 115 HG2 GLN 115 -15.857 -10.450 -5.665 812 HG3 GLN 115 HG1 GLN 115 -16.029 -11.849 -6.725 813 HE21 GLN 115 HE21 GLN 115 -14.324 -12.470 -8.022 814 HE22 GLN 115 HE22 GLN 115 -12.709 -11.892 -7.769 815 H ALA 116 HN ALA 116 -15.324 -6.219 -8.303 816 HA ALA 116 HA ALA 116 -17.506 -5.771 -10.150 817 HB1 ALA 116 HB1 ALA 116 -15.091 -4.055 -9.583 818 HB2 ALA 116 HB2 ALA 116 -16.642 -3.941 -8.751 819 HB3 ALA 116 HB3 ALA 116 -16.537 -3.572 -10.473 820 H THR 117 HN THR 117 -16.553 -7.877 -11.203 821 HA THR 117 HA THR 117 -14.502 -7.215 -13.173 822 HB THR 117 HB THR 117 -15.885 -9.872 -12.763 823 HG1 THR 117 HG1 THR 117 -14.172 -8.620 -11.171 824 HG21 THR 117 HG21 THR 117 -14.813 -9.619 -14.953 825 HG22 THR 117 HG22 THR 117 -13.927 -10.768 -13.950 826 HG23 THR 117 HG23 THR 117 -13.311 -9.130 -14.168 827 HA PRO 118 HA PRO 118 -18.367 -8.491 -15.982 828 HB2 PRO 118 HB2 PRO 118 -20.739 -7.818 -14.674 829 HB3 PRO 118 HB1 PRO 118 -20.139 -9.457 -14.939 830 HG2 PRO 118 HG2 PRO 118 -19.923 -7.725 -12.519 831 HG3 PRO 118 HG1 PRO 118 -20.195 -9.474 -12.628 832 HD2 PRO 118 HD2 PRO 118 -17.801 -8.496 -11.968 833 HD3 PRO 118 HD1 PRO 118 -17.948 -9.925 -13.016 834 HA PRO 119 HA PRO 119 -18.302 -4.047 -16.615 835 HB2 PRO 119 HB2 PRO 119 -18.674 -4.625 -19.422 836 HB3 PRO 119 HB1 PRO 119 -17.223 -4.044 -18.606 837 HG2 PRO 119 HG2 PRO 119 -17.441 -6.524 -19.735 838 HG3 PRO 119 HG1 PRO 119 -16.351 -6.142 -18.390 839 HD2 PRO 119 HD2 PRO 119 -19.037 -7.463 -18.336 840 HD3 PRO 119 HD1 PRO 119 -17.570 -7.854 -17.412 841 HA PRO 120 HA PRO 120 -22.650 -3.206 -17.171 842 HB2 PRO 120 HB2 PRO 120 -21.965 -0.512 -18.054 843 HB3 PRO 120 HB1 PRO 120 -22.742 -1.027 -16.555 844 HG2 PRO 120 HG2 PRO 120 -20.225 -0.016 -16.639 845 HG3 PRO 120 HG1 PRO 120 -20.748 -1.204 -15.431 846 HD2 PRO 120 HD2 PRO 120 -19.158 -1.619 -17.933 847 HD3 PRO 120 HD1 PRO 120 -18.943 -2.346 -16.326 848 H GLU 121 HN GLU 121 -21.731 -4.612 -19.258 849 HA GLU 121 HA GLU 121 -22.809 -3.190 -21.601 850 HB2 GLU 121 HB2 GLU 121 -20.471 -5.116 -21.565 851 HB3 GLU 121 HB1 GLU 121 -21.184 -4.409 -23.008 852 HG2 GLU 121 HG2 GLU 121 -20.491 -2.205 -22.333 853 HG3 GLU 121 HG1 GLU 121 -19.894 -2.827 -20.795 854 H ILE 122 HN ILE 122 -24.193 -4.838 -19.749 855 HA ILE 122 HA ILE 122 -24.542 -7.407 -21.078 856 HB ILE 122 HB ILE 122 -25.918 -6.332 -18.607 857 HG12 ILE 122 HG12 ILE 122 -23.567 -8.228 -18.832 858 HG13 ILE 122 HG11 ILE 122 -23.466 -6.546 -18.321 859 HG21 ILE 122 HG21 ILE 122 -25.743 -9.136 -19.706 860 HG22 ILE 122 HG22 ILE 122 -27.168 -8.096 -19.739 861 HG23 ILE 122 HG23 ILE 122 -26.523 -8.661 -18.198 862 HD11 ILE 122 HD11 ILE 122 -23.405 -8.100 -16.434 863 HD12 ILE 122 HD12 ILE 122 -24.996 -8.712 -16.892 864 HD13 ILE 122 HD13 ILE 122 -24.811 -7.038 -16.367 865 HA PRO 123 HA PRO 123 -27.897 -5.708 -23.508 866 HB2 PRO 123 HB2 PRO 123 -28.472 -8.556 -24.032 867 HB3 PRO 123 HB1 PRO 123 -28.104 -7.257 -25.168 868 HG2 PRO 123 HG2 PRO 123 -26.330 -9.194 -24.638 869 HG3 PRO 123 HG1 PRO 123 -25.821 -7.522 -24.941 870 HD2 PRO 123 HD2 PRO 123 -26.075 -8.987 -22.343 871 HD3 PRO 123 HD1 PRO 123 -24.821 -7.848 -22.878 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 -1.969 12.810 -6.015 2 H2 ALA 1 HT2 ALA 1 -2.359 12.637 -7.656 3 H3 ALA 1 HT3 ALA 1 -0.922 11.974 -7.053 4 HA ALA 1 HA ALA 1 -2.431 10.197 -7.331 5 HB1 ALA 1 HB1 ALA 1 -2.421 10.915 -4.404 6 HB2 ALA 1 HB2 ALA 1 -1.052 10.216 -5.270 7 HB3 ALA 1 HB3 ALA 1 -2.556 9.304 -5.120 8 HA PRO 2 HA PRO 2 -6.679 11.283 -7.440 9 HB2 PRO 2 HB2 PRO 2 -7.141 8.455 -7.878 10 HB3 PRO 2 HB1 PRO 2 -7.376 9.808 -8.972 11 HG2 PRO 2 HG2 PRO 2 -5.416 8.021 -9.380 12 HG3 PRO 2 HG1 PRO 2 -5.178 9.747 -9.728 13 HD2 PRO 2 HD2 PRO 2 -4.374 8.206 -7.278 14 HD3 PRO 2 HD1 PRO 2 -3.395 9.309 -8.273 15 H THR 3 HN THR 3 -5.568 8.523 -5.555 16 HA THR 3 HA THR 3 -7.833 8.962 -3.751 17 HB THR 3 HB THR 3 -8.033 6.553 -3.388 18 HG1 THR 3 HG1 THR 3 -6.900 5.320 -5.254 19 HG21 THR 3 HG21 THR 3 -9.004 5.959 -5.595 20 HG22 THR 3 HG22 THR 3 -8.241 7.396 -6.288 21 HG23 THR 3 HG23 THR 3 -9.484 7.565 -5.046 22 H LEU 4 HN LEU 4 -7.417 7.773 -1.585 23 HA LEU 4 HA LEU 4 -5.161 9.078 -0.545 24 HB2 LEU 4 HB2 LEU 4 -7.148 8.796 0.784 25 HB3 LEU 4 HB1 LEU 4 -6.990 7.051 0.712 26 HG LEU 4 HG LEU 4 -4.836 7.272 1.983 27 HD11 LEU 4 HD11 LEU 4 -5.788 10.124 2.062 28 HD12 LEU 4 HD12 LEU 4 -4.226 9.515 1.489 29 HD13 LEU 4 HD13 LEU 4 -4.623 9.472 3.217 30 HD21 LEU 4 HD21 LEU 4 -7.294 8.380 3.334 31 HD22 LEU 4 HD22 LEU 4 -5.909 7.631 4.130 32 HD23 LEU 4 HD23 LEU 4 -6.948 6.670 3.077 33 H GLN 5 HN GLN 5 -5.720 5.652 -1.301 34 HA GLN 5 HA GLN 5 -3.266 4.779 -0.175 35 HB2 GLN 5 HB2 GLN 5 -5.284 3.337 -0.791 36 HB3 GLN 5 HB1 GLN 5 -4.669 3.400 -2.439 37 HG2 GLN 5 HG2 GLN 5 -2.433 2.650 -1.248 38 HG3 GLN 5 HG1 GLN 5 -3.570 2.036 -0.054 39 HE21 GLN 5 HE21 GLN 5 -1.750 0.600 -1.784 40 HE22 GLN 5 HE22 GLN 5 -2.713 -0.471 -2.729 41 H GLU 6 HN GLU 6 -4.132 6.157 -3.269 42 HA GLU 6 HA GLU 6 -1.685 5.435 -4.560 43 HB2 GLU 6 HB2 GLU 6 -3.882 6.165 -5.671 44 HB3 GLU 6 HB1 GLU 6 -3.348 7.806 -5.333 45 HG2 GLU 6 HG2 GLU 6 -2.663 7.392 -7.518 46 HG3 GLU 6 HG1 GLU 6 -1.211 7.197 -6.546 47 H ALA 7 HN ALA 7 -2.740 7.920 -2.414 48 HA ALA 7 HA ALA 7 -0.457 9.635 -2.758 49 HB1 ALA 7 HB1 ALA 7 -1.201 10.667 -0.650 50 HB2 ALA 7 HB2 ALA 7 -2.409 9.392 -0.449 51 HB3 ALA 7 HB3 ALA 7 -2.522 10.517 -1.809 52 H LEU 8 HN LEU 8 -1.296 6.833 -0.875 53 HA LEU 8 HA LEU 8 1.038 6.720 0.695 54 HB2 LEU 8 HB2 LEU 8 -0.744 4.560 -0.327 55 HB3 LEU 8 HB1 LEU 8 0.582 4.275 0.776 56 HG LEU 8 HG LEU 8 -2.003 5.671 1.262 57 HD11 LEU 8 HD11 LEU 8 -0.433 3.585 2.761 58 HD12 LEU 8 HD12 LEU 8 -1.778 3.262 1.665 59 HD13 LEU 8 HD13 LEU 8 -2.053 4.161 3.156 60 HD21 LEU 8 HD21 LEU 8 -0.469 7.253 2.113 61 HD22 LEU 8 HD22 LEU 8 0.555 5.987 2.792 62 HD23 LEU 8 HD23 LEU 8 -1.034 6.299 3.491 63 H ASP 9 HN ASP 9 0.154 5.216 -2.364 64 HA ASP 9 HA ASP 9 2.522 3.999 -3.137 65 HB2 ASP 9 HB2 ASP 9 0.415 3.814 -4.368 66 HB3 ASP 9 HB1 ASP 9 0.434 5.528 -4.755 67 H ARG 10 HN ARG 10 1.598 7.350 -3.094 68 HA ARG 10 HA ARG 10 3.765 8.333 -4.717 69 HB2 ARG 10 HB2 ARG 10 1.298 9.204 -4.175 70 HB3 ARG 10 HB1 ARG 10 2.144 10.073 -2.913 71 HG2 ARG 10 HG2 ARG 10 3.050 11.513 -4.341 72 HG3 ARG 10 HG1 ARG 10 3.327 10.285 -5.586 73 HD2 ARG 10 HD2 ARG 10 0.894 10.277 -6.021 74 HD3 ARG 10 HD1 ARG 10 0.715 11.590 -4.867 75 HE ARG 10 HE ARG 10 1.649 13.066 -6.390 76 HH11 ARG 10 HH11 ARG 10 1.874 9.780 -7.597 77 HH12 ARG 10 HH12 ARG 10 2.109 10.267 -9.248 78 HH21 ARG 10 HH21 ARG 10 1.928 13.710 -8.561 79 HH22 ARG 10 HH22 ARG 10 2.152 12.509 -9.800 80 H LYS 11 HN LYS 11 3.000 7.987 -1.332 81 HA LYS 11 HA LYS 11 5.297 9.296 -0.279 82 HB2 LYS 11 HB2 LYS 11 3.226 8.861 0.993 83 HB3 LYS 11 HB1 LYS 11 3.553 7.148 0.886 84 HG2 LYS 11 HG2 LYS 11 4.143 8.209 3.051 85 HG3 LYS 11 HG1 LYS 11 5.436 7.303 2.273 86 HD2 LYS 11 HD2 LYS 11 6.381 9.295 3.087 87 HD3 LYS 11 HD1 LYS 11 6.267 9.453 1.341 88 HE2 LYS 11 HE2 LYS 11 4.553 10.986 1.469 89 HE3 LYS 11 HE1 LYS 11 4.108 10.520 3.103 90 HZ1 LYS 11 HZ1 LYS 11 5.242 12.669 3.033 91 HZ2 LYS 11 HZ2 LYS 11 6.607 11.933 2.337 92 HZ3 LYS 11 HZ3 LYS 11 6.138 11.526 3.916 93 H CYS 12 HN CYS 12 4.372 6.030 -1.044 94 HA CYS 12 HA CYS 12 6.683 4.617 -0.473 95 HB2 CYS 12 HB2 CYS 12 4.530 4.232 -2.543 96 HB3 CYS 12 HB1 CYS 12 5.766 3.032 -2.240 97 HG CYS 12 HG CYS 12 3.267 4.037 -0.172 98 H ALA 13 HN ALA 13 5.837 6.462 -3.347 99 HA ALA 13 HA ALA 13 8.049 5.598 -4.917 100 HB1 ALA 13 HB1 ALA 13 6.231 6.456 -6.109 101 HB2 ALA 13 HB2 ALA 13 7.457 7.721 -6.234 102 HB3 ALA 13 HB3 ALA 13 6.111 7.897 -5.096 103 H GLN 14 HN GLN 14 7.587 7.977 -2.470 104 HA GLN 14 HA GLN 14 9.849 9.601 -3.106 105 HB2 GLN 14 HB2 GLN 14 7.993 9.404 -0.763 106 HB3 GLN 14 HB1 GLN 14 9.352 10.529 -0.799 107 HG2 GLN 14 HG2 GLN 14 8.466 11.523 -2.837 108 HG3 GLN 14 HG1 GLN 14 7.104 10.413 -2.786 109 HE21 GLN 14 HE21 GLN 14 5.430 10.801 -1.449 110 HE22 GLN 14 HE22 GLN 14 5.257 12.259 -0.524 111 H PHE 15 HN PHE 15 9.269 6.807 -1.168 112 HA PHE 15 HA PHE 15 11.937 6.986 0.034 113 HB2 PHE 15 HB2 PHE 15 9.769 4.943 0.532 114 HB3 PHE 15 HB1 PHE 15 11.253 5.139 1.457 115 HD1 PHE 15 HD2 PHE 15 11.469 7.930 1.978 116 HD2 PHE 15 HD1 PHE 15 7.991 5.498 1.797 117 HE1 PHE 15 HE2 PHE 15 10.294 9.509 3.453 118 HE2 PHE 15 HE1 PHE 15 6.811 7.062 3.256 119 HZ PHE 15 HZ PHE 15 7.952 9.074 4.077 120 H GLY 16 HN GLY 16 9.947 4.624 -1.723 121 HA2 GLY 16 HA2 GLY 16 11.837 2.639 -2.124 122 HA3 GLY 16 HA1 GLY 16 10.494 2.985 -3.198 123 H LYS 17 HN LYS 17 10.941 5.180 -4.448 124 HA LYS 17 HA LYS 17 13.067 4.412 -6.185 125 HB2 LYS 17 HB2 LYS 17 11.471 6.940 -6.366 126 HB3 LYS 17 HB1 LYS 17 12.214 6.011 -7.661 127 HG2 LYS 17 HG2 LYS 17 9.884 5.133 -5.991 128 HG3 LYS 17 HG1 LYS 17 9.796 5.773 -7.625 129 HD2 LYS 17 HD2 LYS 17 11.417 3.826 -8.206 130 HD3 LYS 17 HD1 LYS 17 10.859 3.129 -6.677 131 HE2 LYS 17 HE2 LYS 17 9.519 2.305 -8.507 132 HE3 LYS 17 HE1 LYS 17 8.547 3.333 -7.455 133 HZ1 LYS 17 HZ1 LYS 17 9.840 4.359 -9.914 134 HZ2 LYS 17 HZ2 LYS 17 8.588 5.074 -9.016 135 HZ3 LYS 17 HZ3 LYS 17 8.289 3.676 -9.935 136 H GLU 18 HN GLU 18 12.715 6.679 -3.587 137 HA GLU 18 HA GLU 18 14.979 8.264 -4.097 138 HB2 GLU 18 HB2 GLU 18 13.602 8.909 -2.290 139 HB3 GLU 18 HB1 GLU 18 13.718 7.332 -1.521 140 HG2 GLU 18 HG2 GLU 18 16.045 7.738 -0.994 141 HG3 GLU 18 HG1 GLU 18 15.999 9.276 -1.852 142 H SER 19 HN SER 19 14.608 5.074 -2.669 143 HA SER 19 HA SER 19 17.354 4.561 -2.220 144 HB2 SER 19 HB2 SER 19 15.199 2.556 -2.866 145 HB3 SER 19 HB1 SER 19 16.701 2.262 -1.985 146 HG SER 19 HG SER 19 14.481 3.828 -1.154 147 H CYS 20 HN CYS 20 15.194 4.084 -4.935 148 HA CYS 20 HA CYS 20 16.948 2.782 -6.683 149 HB2 CYS 20 HB2 CYS 20 15.054 2.804 -7.881 150 HB3 CYS 20 HB1 CYS 20 14.358 3.944 -6.747 151 HG CYS 20 HG CYS 20 15.560 4.477 -9.847 152 H ASN 21 HN ASN 21 16.544 6.140 -5.831 153 HA ASN 21 HA ASN 21 18.254 7.164 -7.885 154 HB2 ASN 21 HB2 ASN 21 16.818 8.303 -5.549 155 HB3 ASN 21 HB1 ASN 21 18.181 9.207 -6.201 156 HD21 ASN 21 HD21 ASN 21 15.003 7.918 -6.893 157 HD22 ASN 21 HD22 ASN 21 14.698 8.911 -8.289 158 H SER 22 HN SER 22 18.743 6.093 -4.571 159 HA SER 22 HA SER 22 21.395 7.201 -4.454 160 HB2 SER 22 HB2 SER 22 21.567 5.825 -2.333 161 HB3 SER 22 HB1 SER 22 20.271 7.021 -2.359 162 HG SER 22 HG SER 22 19.880 4.672 -1.665 163 H GLY 23 HN GLY 23 19.955 4.245 -5.550 164 HA2 GLY 23 HA2 GLY 23 21.796 3.424 -7.253 165 HA3 GLY 23 HA1 GLY 23 22.573 2.953 -5.754 166 H LEU 24 HN LEU 24 19.435 2.577 -5.030 167 HA LEU 24 HA LEU 24 19.612 -0.242 -5.137 168 HB2 LEU 24 HB2 LEU 24 17.757 1.722 -4.087 169 HB3 LEU 24 HB1 LEU 24 16.921 0.345 -4.780 170 HG LEU 24 HG LEU 24 17.516 0.257 -2.281 171 HD11 LEU 24 HD11 LEU 24 16.712 -1.660 -3.545 172 HD12 LEU 24 HD12 LEU 24 17.951 -2.136 -2.386 173 HD13 LEU 24 HD13 LEU 24 18.353 -1.994 -4.097 174 HD21 LEU 24 HD21 LEU 24 20.201 -0.359 -3.503 175 HD22 LEU 24 HD22 LEU 24 19.765 -0.599 -1.808 176 HD23 LEU 24 HD23 LEU 24 19.812 1.030 -2.481 177 H ALA 25 HN ALA 25 19.564 -1.349 -6.836 178 HA ALA 25 HA ALA 25 18.565 -0.550 -9.356 179 HB1 ALA 25 HB1 ALA 25 20.368 -2.184 -8.981 180 HB2 ALA 25 HB2 ALA 25 19.095 -2.795 -10.038 181 HB3 ALA 25 HB3 ALA 25 19.167 -3.316 -8.352 182 H SER 26 HN SER 26 17.275 -2.342 -6.717 183 HA SER 26 HA SER 26 15.190 -3.722 -7.800 184 HB2 SER 26 HB2 SER 26 15.315 -2.311 -5.201 185 HB3 SER 26 HB1 SER 26 14.239 -3.651 -5.572 186 HG SER 26 HG SER 26 16.043 -4.975 -5.789 187 H TYR 27 HN TYR 27 14.883 -0.485 -6.306 188 HA TYR 27 HA TYR 27 12.204 -0.191 -7.265 189 HB2 TYR 27 HB2 TYR 27 13.894 2.071 -6.203 190 HB3 TYR 27 HB1 TYR 27 12.151 1.842 -6.102 191 HD1 TYR 27 HD2 TYR 27 11.227 0.057 -4.624 192 HD2 TYR 27 HD1 TYR 27 15.330 1.232 -4.494 193 HE1 TYR 27 HE2 TYR 27 11.463 -1.038 -2.446 194 HE2 TYR 27 HE1 TYR 27 15.567 0.109 -2.318 195 HH TYR 27 HH TYR 27 14.357 -0.694 -0.514 196 H CYS 28 HN CYS 28 15.237 0.292 -8.678 197 HA CYS 28 HA CYS 28 14.655 2.554 -10.295 198 HB2 CYS 28 HB2 CYS 28 16.958 1.839 -9.806 199 HB3 CYS 28 HB1 CYS 28 16.685 0.349 -10.700 200 HG CYS 28 HG CYS 28 18.232 1.797 -12.377 201 H GLY 29 HN GLY 29 13.001 2.534 -11.668 202 HA2 GLY 29 HA2 GLY 29 11.888 1.938 -13.628 203 HA3 GLY 29 HA1 GLY 29 12.854 0.472 -13.707 204 H ALA 30 HN ALA 30 11.708 0.709 -10.642 205 HA ALA 30 HA ALA 30 9.746 -1.381 -11.153 206 HB1 ALA 30 HB1 ALA 30 10.938 -0.347 -8.586 207 HB2 ALA 30 HB2 ALA 30 11.351 -1.840 -9.430 208 HB3 ALA 30 HB3 ALA 30 9.760 -1.656 -8.691 209 H ALA 31 HN ALA 31 7.717 -1.361 -9.946 210 HA ALA 31 HA ALA 31 6.533 1.316 -9.698 211 HB1 ALA 31 HB1 ALA 31 4.391 0.158 -9.931 212 HB2 ALA 31 HB2 ALA 31 5.251 -1.383 -10.079 213 HB3 ALA 31 HB3 ALA 31 5.447 -0.131 -11.313 214 H ILE 32 HN ILE 32 6.515 1.980 -7.547 215 HA ILE 32 HA ILE 32 6.438 -0.193 -5.589 216 HB ILE 32 HB ILE 32 8.372 1.365 -5.400 217 HG12 ILE 32 HG12 ILE 32 6.743 1.807 -2.950 218 HG13 ILE 32 HG11 ILE 32 6.999 0.144 -3.464 219 HG21 ILE 32 HG21 ILE 32 6.316 3.378 -4.540 220 HG22 ILE 32 HG22 ILE 32 7.153 3.386 -6.095 221 HG23 ILE 32 HG23 ILE 32 8.066 3.594 -4.598 222 HD11 ILE 32 HD11 ILE 32 9.184 2.137 -2.954 223 HD12 ILE 32 HD12 ILE 32 9.383 0.420 -3.349 224 HD13 ILE 32 HD13 ILE 32 8.641 0.904 -1.814 225 H TYR 33 HN TYR 33 4.875 -0.435 -4.172 226 HA TYR 33 HA TYR 33 2.642 1.484 -4.278 227 HB2 TYR 33 HB2 TYR 33 2.442 -1.527 -4.092 228 HB3 TYR 33 HB1 TYR 33 1.108 -0.392 -4.205 229 HD1 TYR 33 HD1 TYR 33 0.724 0.855 -6.318 230 HD2 TYR 33 HD2 TYR 33 3.576 -2.290 -6.029 231 HE1 TYR 33 HE1 TYR 33 0.764 0.690 -8.757 232 HE2 TYR 33 HE2 TYR 33 3.635 -2.458 -8.486 233 HH TYR 33 HH TYR 33 2.192 -0.092 -10.528 234 H ALA 34 HN ALA 34 1.158 1.272 -2.395 235 HA ALA 34 HA ALA 34 2.729 0.814 0.045 236 HB1 ALA 34 HB1 ALA 34 1.345 2.957 -0.477 237 HB2 ALA 34 HB2 ALA 34 1.335 2.259 1.152 238 HB3 ALA 34 HB3 ALA 34 -0.022 1.957 0.054 239 H ARG 35 HN ARG 35 2.493 -1.051 1.038 240 HA ARG 35 HA ARG 35 -0.189 -2.191 1.109 241 HB2 ARG 35 HB2 ARG 35 1.660 -3.289 -0.550 242 HB3 ARG 35 HB1 ARG 35 2.005 -4.178 0.923 243 HG2 ARG 35 HG2 ARG 35 0.415 -5.389 -0.430 244 HG3 ARG 35 HG1 ARG 35 -0.346 -4.848 1.066 245 HD2 ARG 35 HD2 ARG 35 -1.832 -4.490 -0.826 246 HD3 ARG 35 HD1 ARG 35 -1.334 -2.945 -0.133 247 HE ARG 35 HE ARG 35 0.475 -3.340 -2.096 248 HH11 ARG 35 HH11 ARG 35 -3.017 -3.506 -2.137 249 HH12 ARG 35 HH12 ARG 35 -3.148 -2.956 -3.776 250 HH21 ARG 35 HH21 ARG 35 0.290 -2.560 -4.248 251 HH22 ARG 35 HH22 ARG 35 -1.279 -2.404 -4.967 252 H TYR 36 HN TYR 36 -0.776 -2.321 3.121 253 HA TYR 36 HA TYR 36 1.072 -2.422 5.325 254 HB2 TYR 36 HB2 TYR 36 -1.256 -1.386 5.369 255 HB3 TYR 36 HB1 TYR 36 -1.899 -3.026 5.367 256 HD1 TYR 36 HD1 TYR 36 0.247 -0.684 7.294 257 HD2 TYR 36 HD2 TYR 36 -2.053 -4.253 7.318 258 HE1 TYR 36 HE1 TYR 36 0.431 -0.783 9.737 259 HE2 TYR 36 HE2 TYR 36 -1.903 -4.361 9.753 260 HH TYR 36 HH TYR 36 -0.842 -1.794 11.650 261 H ASP 37 HN ASP 37 2.290 -4.299 4.868 262 HA ASP 37 HA ASP 37 0.978 -6.816 5.422 263 HB2 ASP 37 HB2 ASP 37 1.318 -6.169 2.766 264 HB3 ASP 37 HB1 ASP 37 2.807 -7.044 3.130 265 H LYS 38 HN LYS 38 2.905 -8.594 5.080 266 HA LYS 38 HA LYS 38 4.930 -7.834 6.965 267 HB2 LYS 38 HB2 LYS 38 4.632 -10.270 5.208 268 HB3 LYS 38 HB1 LYS 38 5.861 -10.090 6.448 269 HG2 LYS 38 HG2 LYS 38 4.184 -10.002 8.159 270 HG3 LYS 38 HG1 LYS 38 2.903 -10.028 6.958 271 HD2 LYS 38 HD2 LYS 38 4.817 -12.211 7.711 272 HD3 LYS 38 HD1 LYS 38 3.057 -12.222 7.789 273 HE2 LYS 38 HE2 LYS 38 2.981 -12.094 5.330 274 HE3 LYS 38 HE1 LYS 38 4.741 -12.179 5.301 275 HZ1 LYS 38 HZ1 LYS 38 4.591 -14.353 6.405 276 HZ2 LYS 38 HZ2 LYS 38 3.803 -14.352 4.903 277 HZ3 LYS 38 HZ3 LYS 38 2.898 -14.269 6.335 278 H GLY 39 HN GLY 39 7.182 -7.770 6.563 279 HA2 GLY 39 HA2 GLY 39 7.835 -6.841 3.870 280 HA3 GLY 39 HA1 GLY 39 8.841 -6.663 5.304 281 H ASN 40 HN ASN 40 10.602 -7.794 5.182 282 HA ASN 40 HA ASN 40 10.949 -10.048 3.454 283 HB2 ASN 40 HB2 ASN 40 12.660 -8.271 4.219 284 HB3 ASN 40 HB1 ASN 40 12.766 -9.178 5.718 285 HD21 ASN 40 HD21 ASN 40 14.841 -8.612 3.875 286 HD22 ASN 40 HD22 ASN 40 15.436 -10.119 3.254 287 H SER 41 HN SER 41 12.253 -11.981 4.835 288 HA SER 41 HA SER 41 10.142 -13.527 5.731 289 HB2 SER 41 HB2 SER 41 12.306 -14.399 4.873 290 HB3 SER 41 HB1 SER 41 13.057 -13.958 6.407 291 HG SER 41 HG SER 41 12.460 -16.116 6.483 292 H SER 42 HN SER 42 12.743 -12.184 7.802 293 HA SER 42 HA SER 42 11.264 -12.899 10.185 294 HB2 SER 42 HB2 SER 42 13.793 -12.965 9.973 295 HB3 SER 42 HB1 SER 42 13.764 -11.205 10.007 296 HG SER 42 HG SER 42 12.654 -11.406 12.060 297 H GLN 43 HN GLN 43 11.164 -10.434 8.004 298 HA GLN 43 HA GLN 43 10.499 -8.345 9.915 299 HB2 GLN 43 HB2 GLN 43 10.999 -8.287 6.942 300 HB3 GLN 43 HB1 GLN 43 10.397 -6.898 7.833 301 HG2 GLN 43 HG2 GLN 43 12.632 -6.447 7.819 302 HG3 GLN 43 HG1 GLN 43 12.492 -7.320 9.340 303 HE21 GLN 43 HE21 GLN 43 14.820 -6.945 7.663 304 HE22 GLN 43 HE22 GLN 43 15.373 -8.524 7.217 305 H GLN 44 HN GLN 44 8.829 -10.672 9.424 306 HA GLN 44 HA GLN 44 6.441 -10.140 8.086 307 HB2 GLN 44 HB2 GLN 44 5.478 -11.760 9.695 308 HB3 GLN 44 HB1 GLN 44 6.984 -12.297 8.977 309 HG2 GLN 44 HG2 GLN 44 8.149 -11.546 11.040 310 HG3 GLN 44 HG1 GLN 44 6.569 -11.178 11.716 311 HE21 GLN 44 HE21 GLN 44 7.129 -13.985 9.691 312 HE22 GLN 44 HE22 GLN 44 6.917 -15.145 10.943 313 H THR 45 HN THR 45 4.514 -10.364 10.285 314 HA THR 45 HA THR 45 2.948 -9.022 11.128 315 HB THR 45 HB THR 45 3.611 -7.203 12.694 316 HG1 THR 45 HG1 THR 45 5.997 -7.474 11.482 317 HG21 THR 45 HG21 THR 45 4.919 -9.885 13.085 318 HG22 THR 45 HG22 THR 45 3.261 -9.447 13.499 319 HG23 THR 45 HG23 THR 45 4.609 -8.709 14.365 320 H LYS 46 HN LYS 46 1.654 -7.858 9.954 321 HA LYS 46 HA LYS 46 2.583 -6.238 7.847 322 HB2 LYS 46 HB2 LYS 46 -0.165 -6.114 9.047 323 HB3 LYS 46 HB1 LYS 46 0.311 -5.620 7.438 324 HG2 LYS 46 HG2 LYS 46 1.067 -8.174 7.325 325 HG3 LYS 46 HG1 LYS 46 -0.238 -8.312 8.502 326 HD2 LYS 46 HD2 LYS 46 -1.716 -7.080 6.898 327 HD3 LYS 46 HD1 LYS 46 -0.406 -7.141 5.735 328 HE2 LYS 46 HE2 LYS 46 -0.416 -9.681 6.131 329 HE3 LYS 46 HE1 LYS 46 -2.010 -9.408 6.831 330 HZ1 LYS 46 HZ1 LYS 46 -1.214 -8.589 4.083 331 HZ2 LYS 46 HZ2 LYS 46 -2.770 -8.491 4.764 332 HZ3 LYS 46 HZ3 LYS 46 -2.071 -10.004 4.455 333 H GLU 47 HN GLU 47 3.283 -4.306 7.833 334 HA GLU 47 HA GLU 47 2.055 -2.212 9.422 335 HB2 GLU 47 HB2 GLU 47 5.058 -2.586 9.262 336 HB3 GLU 47 HB1 GLU 47 4.246 -1.148 9.880 337 HG2 GLU 47 HG2 GLU 47 3.320 -2.385 11.703 338 HG3 GLU 47 HG1 GLU 47 3.895 -3.896 11.027 339 H TRP 48 HN TRP 48 2.231 -0.173 8.303 340 HA TRP 48 HA TRP 48 2.106 -0.407 5.539 341 HB2 TRP 48 HB2 TRP 48 2.495 1.940 7.352 342 HB3 TRP 48 HB1 TRP 48 2.561 2.128 5.606 343 HD1 TRP 48 HD1 TRP 48 0.207 2.377 8.336 344 HE1 TRP 48 HE1 TRP 48 -2.220 2.323 7.450 345 HE3 TRP 48 HE3 TRP 48 1.082 0.594 3.636 346 HZ2 TRP 48 HZ2 TRP 48 -3.583 1.575 5.091 347 HZ3 TRP 48 HZ3 TRP 48 -0.825 0.226 2.130 348 HH2 TRP 48 HH2 TRP 48 -3.115 0.706 2.850 349 H ARG 49 HN ARG 49 3.690 -1.032 4.287 350 HA ARG 49 HA ARG 49 6.297 0.263 4.633 351 HB2 ARG 49 HB2 ARG 49 5.674 -2.618 4.001 352 HB3 ARG 49 HB1 ARG 49 7.228 -1.897 3.608 353 HG2 ARG 49 HG2 ARG 49 7.740 -1.528 5.883 354 HG3 ARG 49 HG1 ARG 49 6.092 -1.892 6.392 355 HD2 ARG 49 HD2 ARG 49 6.386 -4.208 5.638 356 HD3 ARG 49 HD1 ARG 49 8.038 -3.833 5.154 357 HE ARG 49 HE ARG 49 8.601 -3.557 7.450 358 HH11 ARG 49 HH11 ARG 49 5.436 -4.934 6.857 359 HH12 ARG 49 HH12 ARG 49 5.282 -5.589 8.463 360 HH21 ARG 49 HH21 ARG 49 8.380 -4.391 9.567 361 HH22 ARG 49 HH22 ARG 49 6.933 -5.236 10.010 362 H CYS 50 HN CYS 50 7.519 0.267 2.556 363 HA CYS 50 HA CYS 50 5.655 0.705 0.340 364 HB2 CYS 50 HB2 CYS 50 8.579 1.475 0.590 365 HB3 CYS 50 HB1 CYS 50 7.452 2.012 -0.661 366 HG CYS 50 HG CYS 50 5.805 3.176 1.535 367 H TYR 51 HN TYR 51 5.494 -0.837 -1.105 368 HA TYR 51 HA TYR 51 7.699 -2.778 -1.363 369 HB2 TYR 51 HB2 TYR 51 4.733 -3.312 -1.592 370 HB3 TYR 51 HB1 TYR 51 6.004 -4.496 -1.839 371 HD1 TYR 51 HD1 TYR 51 7.771 -4.068 0.427 372 HD2 TYR 51 HD2 TYR 51 3.542 -3.949 0.194 373 HE1 TYR 51 HE1 TYR 51 7.637 -4.695 2.799 374 HE2 TYR 51 HE2 TYR 51 3.384 -4.563 2.572 375 HH TYR 51 HH TYR 51 4.944 -5.841 4.231 376 H ILE 52 HN ILE 52 8.574 -2.613 -3.339 377 HA ILE 52 HA ILE 52 7.104 -1.529 -5.517 378 HB ILE 52 HB ILE 52 9.009 -2.610 -6.888 379 HG12 ILE 52 HG12 ILE 52 10.223 -2.641 -4.167 380 HG13 ILE 52 HG11 ILE 52 9.770 -4.089 -5.080 381 HG21 ILE 52 HG21 ILE 52 9.657 -0.475 -4.879 382 HG22 ILE 52 HG22 ILE 52 8.721 -0.205 -6.354 383 HG23 ILE 52 HG23 ILE 52 10.409 -0.710 -6.457 384 HD11 ILE 52 HD11 ILE 52 12.178 -3.431 -5.246 385 HD12 ILE 52 HD12 ILE 52 11.646 -1.987 -6.126 386 HD13 ILE 52 HD13 ILE 52 11.334 -3.607 -6.783 387 H GLU 53 HN GLU 53 6.365 -2.585 -7.327 388 HA GLU 53 HA GLU 53 4.609 -4.620 -6.926 389 HB2 GLU 53 HB2 GLU 53 4.495 -3.117 -8.801 390 HB3 GLU 53 HB1 GLU 53 5.966 -3.780 -9.490 391 HG2 GLU 53 HG2 GLU 53 4.812 -5.951 -9.736 392 HG3 GLU 53 HG1 GLU 53 3.330 -5.183 -9.142 393 H LYS 54 HN LYS 54 7.969 -4.867 -7.660 394 HA LYS 54 HA LYS 54 8.296 -7.464 -8.515 395 HB2 LYS 54 HB2 LYS 54 9.895 -5.525 -6.912 396 HB3 LYS 54 HB1 LYS 54 10.413 -7.192 -6.853 397 HG2 LYS 54 HG2 LYS 54 11.627 -5.923 -8.538 398 HG3 LYS 54 HG1 LYS 54 10.705 -7.241 -9.255 399 HD2 LYS 54 HD2 LYS 54 9.304 -4.656 -9.123 400 HD3 LYS 54 HD1 LYS 54 10.715 -4.692 -10.182 401 HE2 LYS 54 HE2 LYS 54 9.753 -6.765 -11.224 402 HE3 LYS 54 HE1 LYS 54 8.286 -6.471 -10.288 403 HZ1 LYS 54 HZ1 LYS 54 8.011 -4.367 -11.401 404 HZ2 LYS 54 HZ2 LYS 54 8.159 -5.590 -12.562 405 HZ3 LYS 54 HZ3 LYS 54 9.472 -4.565 -12.235 406 H GLU 55 HN GLU 55 7.674 -6.221 -5.305 407 HA GLU 55 HA GLU 55 8.252 -8.792 -4.082 408 HB2 GLU 55 HB2 GLU 55 7.777 -6.129 -2.785 409 HB3 GLU 55 HB1 GLU 55 8.497 -7.548 -2.056 410 HG2 GLU 55 HG2 GLU 55 9.665 -6.042 -4.372 411 HG3 GLU 55 HG1 GLU 55 10.152 -5.819 -2.694 412 H LEU 56 HN LEU 56 5.530 -6.961 -5.016 413 HA LEU 56 HA LEU 56 3.767 -8.150 -3.063 414 HB2 LEU 56 HB2 LEU 56 3.272 -6.434 -5.481 415 HB3 LEU 56 HB1 LEU 56 1.983 -7.155 -4.557 416 HG LEU 56 HG LEU 56 2.835 -5.869 -2.529 417 HD11 LEU 56 HD11 LEU 56 4.426 -4.513 -4.720 418 HD12 LEU 56 HD12 LEU 56 5.089 -5.449 -3.380 419 HD13 LEU 56 HD13 LEU 56 4.244 -3.932 -3.065 420 HD21 LEU 56 HD21 LEU 56 0.896 -5.142 -3.721 421 HD22 LEU 56 HD22 LEU 56 1.874 -4.466 -5.029 422 HD23 LEU 56 HD23 LEU 56 1.907 -3.727 -3.421 423 H ASP 57 HN ASP 57 1.773 -9.162 -3.960 424 HA ASP 57 HA ASP 57 2.207 -10.730 -6.409 425 HB2 ASP 57 HB2 ASP 57 2.496 -12.130 -4.311 426 HB3 ASP 57 HB1 ASP 57 0.819 -11.765 -3.927 427 H PHE 58 HN PHE 58 0.611 -10.311 -7.827 428 HA PHE 58 HA PHE 58 -1.741 -8.890 -6.827 429 HB2 PHE 58 HB2 PHE 58 -0.471 -9.172 -9.522 430 HB3 PHE 58 HB1 PHE 58 -2.160 -8.687 -9.398 431 HD1 PHE 58 HD1 PHE 58 1.287 -7.763 -8.427 432 HD2 PHE 58 HD2 PHE 58 -2.776 -6.527 -8.755 433 HE1 PHE 58 HE1 PHE 58 1.976 -5.437 -8.026 434 HE2 PHE 58 HE2 PHE 58 -2.085 -4.190 -8.359 435 HZ PHE 58 HZ PHE 58 0.287 -3.647 -7.993 436 H SER 59 HN SER 59 -1.019 -11.974 -7.033 437 HA SER 59 HA SER 59 -3.626 -12.832 -8.039 438 HB2 SER 59 HB2 SER 59 -1.660 -14.185 -8.673 439 HB3 SER 59 HB1 SER 59 -1.345 -14.477 -6.970 440 HG SER 59 HG SER 59 -3.655 -15.266 -8.421 441 H LYS 60 HN LYS 60 -2.070 -11.655 -5.426 442 HA LYS 60 HA LYS 60 -3.959 -12.723 -3.467 443 HB2 LYS 60 HB2 LYS 60 -1.296 -11.397 -3.333 444 HB3 LYS 60 HB1 LYS 60 -2.448 -11.019 -2.085 445 HG2 LYS 60 HG2 LYS 60 -1.141 -12.739 -1.203 446 HG3 LYS 60 HG1 LYS 60 -2.652 -13.507 -1.679 447 HD2 LYS 60 HD2 LYS 60 -0.377 -13.444 -3.606 448 HD3 LYS 60 HD1 LYS 60 -0.333 -14.591 -2.269 449 HE2 LYS 60 HE2 LYS 60 -2.388 -15.596 -2.990 450 HE3 LYS 60 HE1 LYS 60 -2.623 -14.346 -4.212 451 HZ1 LYS 60 HZ1 LYS 60 -0.624 -15.124 -5.329 452 HZ2 LYS 60 HZ2 LYS 60 -1.774 -16.367 -5.199 453 HZ3 LYS 60 HZ3 LYS 60 -0.428 -16.347 -4.166 454 H SER 61 HN SER 61 -5.708 -11.483 -2.989 455 HA SER 61 HA SER 61 -5.731 -8.737 -3.935 456 HB2 SER 61 HB2 SER 61 -7.986 -8.772 -2.613 457 HB3 SER 61 HB1 SER 61 -7.866 -9.629 -4.148 458 HG SER 61 HG SER 61 -7.573 -10.795 -1.560 459 H GLY 62 HN GLY 62 -5.052 -7.115 -2.729 460 HA2 GLY 62 HA2 GLY 62 -3.822 -7.757 -0.206 461 HA3 GLY 62 HA1 GLY 62 -3.713 -6.228 -1.065 462 H ASP 63 HN ASP 63 -5.407 -8.071 1.300 463 HA ASP 63 HA ASP 63 -7.364 -6.014 1.842 464 HB2 ASP 63 HB2 ASP 63 -6.538 -8.261 3.700 465 HB3 ASP 63 HB1 ASP 63 -8.063 -7.385 3.686 466 H GLY 64 HN GLY 64 -4.536 -5.385 1.754 467 HA2 GLY 64 HA2 GLY 64 -4.064 -4.446 4.513 468 HA3 GLY 64 HA1 GLY 64 -2.765 -5.066 3.507 469 H CYS 65 HN CYS 65 -5.311 -3.262 2.099 470 HA CYS 65 HA CYS 65 -3.493 -0.977 1.638 471 HB2 CYS 65 HB2 CYS 65 -6.082 -1.550 0.189 472 HB3 CYS 65 HB1 CYS 65 -4.729 -0.559 -0.342 473 HG CYS 65 HG CYS 65 -5.062 -3.931 -0.414 474 H VAL 66 HN VAL 66 -4.629 1.123 1.601 475 HA VAL 66 HA VAL 66 -6.966 1.165 3.386 476 HB VAL 66 HB VAL 66 -5.333 2.508 4.427 477 HG11 VAL 66 HG11 VAL 66 -3.748 2.522 2.576 478 HG12 VAL 66 HG12 VAL 66 -3.945 4.139 3.264 479 HG13 VAL 66 HG13 VAL 66 -4.738 3.726 1.739 480 HG21 VAL 66 HG21 VAL 66 -6.607 4.676 2.825 481 HG22 VAL 66 HG22 VAL 66 -6.286 4.601 4.564 482 HG23 VAL 66 HG23 VAL 66 -7.601 3.648 3.861 483 H ASP 67 HN ASP 67 -8.665 2.499 2.748 484 HA ASP 67 HA ASP 67 -9.016 2.505 -0.136 485 HB2 ASP 67 HB2 ASP 67 -10.687 1.674 1.671 486 HB3 ASP 67 HB1 ASP 67 -11.073 3.383 1.867 487 H ASP 68 HN ASP 68 -10.894 4.804 -0.155 488 HA ASP 68 HA ASP 68 -8.927 6.879 -0.365 489 HB2 ASP 68 HB2 ASP 68 -10.828 8.440 -0.758 490 HB3 ASP 68 HB1 ASP 68 -10.803 7.066 -1.854 491 H CYS 69 HN CYS 69 -11.300 5.965 2.028 492 HA CYS 69 HA CYS 69 -10.311 8.031 3.842 493 HB2 CYS 69 HB2 CYS 69 -12.732 7.565 3.853 494 HB3 CYS 69 HB1 CYS 69 -12.414 5.871 4.207 495 HG CYS 69 HG CYS 69 -13.319 7.782 6.384 496 H GLY 70 HN GLY 70 -9.243 7.414 5.838 497 HA2 GLY 70 HA2 GLY 70 -7.417 5.244 5.487 498 HA3 GLY 70 HA1 GLY 70 -7.566 6.264 6.919 499 H SER 71 HN SER 71 -9.303 3.765 5.192 500 HA SER 71 HA SER 71 -9.377 2.135 7.614 501 HB2 SER 71 HB2 SER 71 -11.623 3.211 7.213 502 HB3 SER 71 HB1 SER 71 -11.672 2.396 5.653 503 HG SER 71 HG SER 71 -12.745 1.079 7.037 504 H MET 72 HN MET 72 -8.989 -0.081 7.101 505 HA MET 72 HA MET 72 -7.443 -0.346 4.741 506 HB2 MET 72 HB2 MET 72 -8.363 -2.532 6.598 507 HB3 MET 72 HB1 MET 72 -7.107 -2.656 5.373 508 HG2 MET 72 HG2 MET 72 -5.754 -1.033 6.557 509 HG3 MET 72 HG1 MET 72 -7.016 -0.846 7.771 510 HE1 MET 72 HE1 MET 72 -7.037 -4.406 9.439 511 HE2 MET 72 HE2 MET 72 -8.011 -3.889 8.064 512 HE3 MET 72 HE3 MET 72 -7.764 -2.798 9.427 513 H THR 73 HN THR 73 -7.833 -1.225 2.857 514 HA THR 73 HA THR 73 -10.470 -2.394 2.356 515 HB THR 73 HB THR 73 -10.279 0.010 1.611 516 HG1 THR 73 HG1 THR 73 -11.360 -0.411 -0.323 517 HG21 THR 73 HG21 THR 73 -9.014 0.509 -0.380 518 HG22 THR 73 HG22 THR 73 -8.455 -1.164 -0.487 519 HG23 THR 73 HG23 THR 73 -7.928 -0.139 0.850 520 H SER 74 HN SER 74 -10.452 -3.561 0.183 521 HA SER 74 HA SER 74 -7.996 -5.129 0.099 522 HB2 SER 74 HB2 SER 74 -10.698 -5.875 -0.950 523 HB3 SER 74 HB1 SER 74 -9.314 -6.941 -0.778 524 HG SER 74 HG SER 74 -9.792 -7.214 1.245 525 H CYS 75 HN CYS 75 -6.673 -4.708 -1.513 526 HA CYS 75 HA CYS 75 -7.741 -4.393 -4.218 527 HB2 CYS 75 HB2 CYS 75 -7.355 -2.113 -3.399 528 HB3 CYS 75 HB1 CYS 75 -5.706 -2.546 -2.977 529 HG CYS 75 HG CYS 75 -7.024 -2.217 -6.112 530 H ARG 76 HN ARG 76 -6.518 -5.493 -5.723 531 HA ARG 76 HA ARG 76 -4.946 -7.582 -4.744 532 HB2 ARG 76 HB2 ARG 76 -5.274 -6.505 -7.524 533 HB3 ARG 76 HB1 ARG 76 -4.288 -7.910 -7.166 534 HG2 ARG 76 HG2 ARG 76 -7.073 -7.825 -6.187 535 HG3 ARG 76 HG1 ARG 76 -6.767 -8.171 -7.857 536 HD2 ARG 76 HD2 ARG 76 -5.057 -9.850 -6.912 537 HD3 ARG 76 HD1 ARG 76 -6.065 -9.724 -5.479 538 HE ARG 76 HE ARG 76 -7.406 -10.281 -8.003 539 HH11 ARG 76 HH11 ARG 76 -6.238 -11.492 -4.933 540 HH12 ARG 76 HH12 ARG 76 -7.121 -12.982 -5.028 541 HH21 ARG 76 HH21 ARG 76 -8.574 -12.245 -8.131 542 HH22 ARG 76 HH22 ARG 76 -8.433 -13.413 -6.857 543 H GLY 77 HN GLY 77 -3.053 -7.660 -4.036 544 HA2 GLY 77 HA2 GLY 77 -0.676 -7.157 -5.005 545 HA3 GLY 77 HA1 GLY 77 -1.145 -5.521 -4.547 546 H SER 78 HN SER 78 0.262 -8.357 -3.448 547 HA SER 78 HA SER 78 0.607 -7.215 -0.863 548 HB2 SER 78 HB2 SER 78 -1.598 -9.094 -1.299 549 HB3 SER 78 HB1 SER 78 -0.475 -9.636 -0.052 550 HG SER 78 HG SER 78 -0.998 -7.991 1.208 551 H VAL 79 HN VAL 79 2.090 -8.214 0.404 552 HA VAL 79 HA VAL 79 4.151 -9.420 -1.074 553 HB VAL 79 HB VAL 79 3.849 -8.956 1.880 554 HG11 VAL 79 HG11 VAL 79 6.139 -9.406 2.185 555 HG12 VAL 79 HG12 VAL 79 6.444 -9.441 0.446 556 HG13 VAL 79 HG13 VAL 79 5.533 -10.750 1.210 557 HG21 VAL 79 HG21 VAL 79 5.304 -7.417 -0.265 558 HG22 VAL 79 HG22 VAL 79 5.324 -7.042 1.459 559 HG23 VAL 79 HG23 VAL 79 3.817 -6.929 0.551 560 H SER 80 HN SER 80 3.660 -11.415 -1.861 561 HA SER 80 HA SER 80 2.370 -13.446 -0.347 562 HB2 SER 80 HB2 SER 80 2.234 -13.295 -2.789 563 HB3 SER 80 HB1 SER 80 3.946 -13.687 -2.907 564 HG SER 80 HG SER 80 1.997 -15.348 -1.672 565 H GLY 81 HN GLY 81 5.586 -13.590 -1.856 566 HA2 GLY 81 HA2 GLY 81 6.641 -15.073 0.434 567 HA3 GLY 81 HA1 GLY 81 7.469 -14.770 -1.096 568 HA PRO 82 HA PRO 82 8.580 -11.929 2.565 569 HB2 PRO 82 HB2 PRO 82 11.302 -12.957 2.090 570 HB3 PRO 82 HB1 PRO 82 10.430 -12.740 3.609 571 HG2 PRO 82 HG2 PRO 82 10.783 -15.182 2.630 572 HG3 PRO 82 HG1 PRO 82 9.239 -14.730 3.374 573 HD2 PRO 82 HD2 PRO 82 9.944 -14.908 0.471 574 HD3 PRO 82 HD1 PRO 82 8.497 -15.495 1.319 575 H SER 83 HN SER 83 8.898 -9.875 2.049 576 HA SER 83 HA SER 83 9.924 -9.300 -0.607 577 HB2 SER 83 HB2 SER 83 8.936 -7.048 -0.177 578 HB3 SER 83 HB1 SER 83 7.775 -8.359 -0.106 579 HG SER 83 HG SER 83 7.536 -8.060 1.994 580 H THR 84 HN THR 84 11.907 -8.633 -0.927 581 HA THR 84 HA THR 84 13.514 -7.691 1.323 582 HB THR 84 HB THR 84 14.546 -8.022 -1.476 583 HG1 THR 84 HG1 THR 84 13.661 -10.010 -1.203 584 HG21 THR 84 HG21 THR 84 15.775 -8.440 1.254 585 HG22 THR 84 HG22 THR 84 16.021 -7.041 0.207 586 HG23 THR 84 HG23 THR 84 16.610 -8.629 -0.289 587 H SER 85 HN SER 85 12.452 -6.722 -1.906 588 HA SER 85 HA SER 85 13.710 -4.142 -1.728 589 HB2 SER 85 HB2 SER 85 11.617 -5.048 -3.751 590 HB3 SER 85 HB1 SER 85 12.820 -3.762 -3.924 591 HG SER 85 HG SER 85 13.147 -6.151 -4.753 592 H HIS 86 HN HIS 86 12.793 -3.225 0.146 593 HA HIS 86 HA HIS 86 10.188 -2.078 -0.138 594 HB2 HIS 86 HB2 HIS 86 9.034 -3.211 1.583 595 HB3 HIS 86 HB1 HIS 86 9.744 -4.471 0.585 596 HD1 HIS 86 HD1 HIS 86 12.383 -5.061 1.695 597 HD2 HIS 86 HD2 HIS 86 9.279 -3.850 4.175 598 HE1 HIS 86 HE1 HIS 86 13.035 -5.801 4.003 599 HE2 HIS 86 HE2 HIS 86 11.262 -4.835 5.512 600 H LEU 87 HN LEU 87 9.608 -0.694 1.639 601 HA LEU 87 HA LEU 87 11.804 -0.067 3.498 602 HB2 LEU 87 HB2 LEU 87 10.167 1.885 1.877 603 HB3 LEU 87 HB1 LEU 87 11.172 2.361 3.229 604 HG LEU 87 HG LEU 87 13.021 1.083 1.765 605 HD11 LEU 87 HD11 LEU 87 11.080 2.167 -0.261 606 HD12 LEU 87 HD12 LEU 87 11.447 0.465 0.013 607 HD13 LEU 87 HD13 LEU 87 12.698 1.550 -0.595 608 HD21 LEU 87 HD21 LEU 87 12.097 3.903 1.276 609 HD22 LEU 87 HD22 LEU 87 13.695 3.255 0.912 610 HD23 LEU 87 HD23 LEU 87 13.151 3.377 2.587 611 H THR 88 HN THR 88 11.072 -0.216 5.562 612 HA THR 88 HA THR 88 8.223 -0.221 6.067 613 HB THR 88 HB THR 88 10.353 -0.159 8.189 614 HG1 THR 88 HG1 THR 88 10.999 -1.945 7.177 615 HG21 THR 88 HG21 THR 88 7.591 -1.350 8.108 616 HG22 THR 88 HG22 THR 88 8.056 0.138 8.944 617 HG23 THR 88 HG23 THR 88 8.703 -1.420 9.477 618 H ARG 89 HN ARG 89 7.518 1.839 5.534 619 HA ARG 89 HA ARG 89 8.259 3.839 7.572 620 HB2 ARG 89 HB2 ARG 89 7.166 4.447 4.823 621 HB3 ARG 89 HB1 ARG 89 7.861 5.573 5.971 622 HG2 ARG 89 HG2 ARG 89 9.553 3.376 4.910 623 HG3 ARG 89 HG1 ARG 89 9.214 4.780 3.900 624 HD2 ARG 89 HD2 ARG 89 9.951 6.160 5.928 625 HD3 ARG 89 HD1 ARG 89 10.653 4.654 6.522 626 HE ARG 89 HE ARG 89 11.419 5.353 3.833 627 HH11 ARG 89 HH11 ARG 89 12.213 5.539 7.232 628 HH12 ARG 89 HH12 ARG 89 13.841 6.096 6.953 629 HH21 ARG 89 HH21 ARG 89 13.556 6.072 3.449 630 HH22 ARG 89 HH22 ARG 89 14.607 6.385 4.803 631 HA PRO 90 HA PRO 90 3.779 2.536 7.629 632 HB2 PRO 90 HB2 PRO 90 4.086 1.947 10.440 633 HB3 PRO 90 HB1 PRO 90 3.611 0.866 9.147 634 HG2 PRO 90 HG2 PRO 90 5.994 0.678 10.454 635 HG3 PRO 90 HG1 PRO 90 5.732 0.146 8.789 636 HD2 PRO 90 HD2 PRO 90 7.049 2.613 9.787 637 HD3 PRO 90 HD1 PRO 90 7.433 1.615 8.391 638 H SER 91 HN SER 91 5.644 4.375 9.961 639 HA SER 91 HA SER 91 3.556 5.956 11.002 640 HB2 SER 91 HB2 SER 91 5.974 5.713 11.837 641 HB3 SER 91 HB1 SER 91 6.404 6.870 10.575 642 HG SER 91 HG SER 91 4.524 8.107 11.706 643 H GLU 92 HN GLU 92 5.483 6.105 8.106 644 HA GLU 92 HA GLU 92 4.738 8.815 7.484 645 HB2 GLU 92 HB2 GLU 92 6.693 6.864 6.563 646 HB3 GLU 92 HB1 GLU 92 5.998 7.815 5.252 647 HG2 GLU 92 HG2 GLU 92 7.296 8.922 7.732 648 HG3 GLU 92 HG1 GLU 92 8.051 8.805 6.143 649 H LEU 93 HN LEU 93 3.992 5.569 6.200 650 HA LEU 93 HA LEU 93 2.310 6.443 4.120 651 HB2 LEU 93 HB2 LEU 93 2.505 3.913 5.685 652 HB3 LEU 93 HB1 LEU 93 1.093 4.169 4.689 653 HG LEU 93 HG LEU 93 2.523 2.881 3.366 654 HD11 LEU 93 HD11 LEU 93 1.605 4.742 2.135 655 HD12 LEU 93 HD12 LEU 93 3.215 4.345 1.533 656 HD13 LEU 93 HD13 LEU 93 2.985 5.749 2.576 657 HD21 LEU 93 HD21 LEU 93 4.789 4.727 4.104 658 HD22 LEU 93 HD22 LEU 93 4.885 3.372 2.978 659 HD23 LEU 93 HD23 LEU 93 4.551 3.078 4.684 660 H GLN 94 HN GLN 94 1.514 5.578 7.485 661 HA GLN 94 HA GLN 94 -1.292 6.030 7.100 662 HB2 GLN 94 HB2 GLN 94 0.302 4.843 9.077 663 HB3 GLN 94 HB1 GLN 94 -0.443 6.225 9.867 664 HG2 GLN 94 HG2 GLN 94 -1.942 4.107 8.339 665 HG3 GLN 94 HG1 GLN 94 -1.736 4.126 10.088 666 HE21 GLN 94 HE21 GLN 94 -4.123 4.306 8.309 667 HE22 GLN 94 HE22 GLN 94 -4.974 5.699 8.850 668 H ALA 95 HN ALA 95 1.405 7.981 7.714 669 HA ALA 95 HA ALA 95 0.187 10.219 8.915 670 HB1 ALA 95 HB1 ALA 95 2.477 10.305 6.998 671 HB2 ALA 95 HB2 ALA 95 2.646 9.759 8.669 672 HB3 ALA 95 HB3 ALA 95 2.116 11.411 8.324 673 H VAL 96 HN VAL 96 0.757 9.374 5.496 674 HA VAL 96 HA VAL 96 -0.484 11.790 4.615 675 HB VAL 96 HB VAL 96 0.573 11.383 2.698 676 HG11 VAL 96 HG11 VAL 96 2.129 10.034 4.032 677 HG12 VAL 96 HG12 VAL 96 2.009 9.482 2.355 678 HG13 VAL 96 HG13 VAL 96 1.183 8.596 3.644 679 HG21 VAL 96 HG21 VAL 96 -1.041 8.850 2.494 680 HG22 VAL 96 HG22 VAL 96 -0.156 9.617 1.174 681 HG23 VAL 96 HG23 VAL 96 -1.534 10.448 1.915 682 H ILE 97 HN ILE 97 -1.422 8.532 5.335 683 HA ILE 97 HA ILE 97 -3.987 8.596 4.221 684 HB ILE 97 HB ILE 97 -2.854 7.268 6.655 685 HG12 ILE 97 HG12 ILE 97 -4.158 5.873 4.369 686 HG13 ILE 97 HG11 ILE 97 -2.579 6.607 4.104 687 HG21 ILE 97 HG21 ILE 97 -4.930 6.158 7.054 688 HG22 ILE 97 HG22 ILE 97 -5.677 6.962 5.671 689 HG23 ILE 97 HG23 ILE 97 -5.212 7.903 7.091 690 HD11 ILE 97 HD11 ILE 97 -3.164 4.659 6.311 691 HD12 ILE 97 HD12 ILE 97 -1.585 5.252 5.779 692 HD13 ILE 97 HD13 ILE 97 -2.537 4.203 4.728 693 H ASP 98 HN ASP 98 -2.985 9.274 7.535 694 HA ASP 98 HA ASP 98 -5.228 10.594 8.443 695 HB2 ASP 98 HB2 ASP 98 -3.461 9.972 9.944 696 HB3 ASP 98 HB1 ASP 98 -2.299 10.989 9.099 697 H SER 99 HN SER 99 -2.527 11.917 6.565 698 HA SER 99 HA SER 99 -3.468 14.630 6.811 699 HB2 SER 99 HB2 SER 99 -1.107 14.220 6.685 700 HB3 SER 99 HB1 SER 99 -1.276 13.428 5.116 701 HG SER 99 HG SER 99 -0.698 15.475 4.625 702 H ASP 100 HN ASP 100 -2.980 12.492 3.956 703 HA ASP 100 HA ASP 100 -4.317 14.265 2.206 704 HB2 ASP 100 HB2 ASP 100 -2.929 11.800 2.006 705 HB3 ASP 100 HB1 ASP 100 -4.332 11.779 1.024 706 H LYS 101 HN LYS 101 -5.570 12.050 4.448 707 HA LYS 101 HA LYS 101 -7.958 11.275 3.280 708 HB2 LYS 101 HB2 LYS 101 -6.948 11.688 5.968 709 HB3 LYS 101 HB1 LYS 101 -8.663 12.082 5.856 710 HG2 LYS 101 HG2 LYS 101 -9.257 9.928 5.569 711 HG3 LYS 101 HG1 LYS 101 -7.822 9.544 4.627 712 HD2 LYS 101 HD2 LYS 101 -7.963 8.418 6.882 713 HD3 LYS 101 HD1 LYS 101 -6.502 9.339 6.577 714 HE2 LYS 101 HE2 LYS 101 -7.070 10.995 8.042 715 HE3 LYS 101 HE1 LYS 101 -8.794 10.649 7.945 716 HZ1 LYS 101 HZ1 LYS 101 -8.493 8.705 9.273 717 HZ2 LYS 101 HZ2 LYS 101 -7.750 10.004 10.077 718 HZ3 LYS 101 HZ3 LYS 101 -6.805 8.868 9.250 719 H SER 102 HN SER 102 -6.910 14.461 4.235 720 HA SER 102 HA SER 102 -9.442 15.742 4.094 721 HB2 SER 102 HB2 SER 102 -7.384 16.744 5.121 722 HB3 SER 102 HB1 SER 102 -6.725 16.942 3.497 723 HG SER 102 HG SER 102 -9.253 17.992 4.209 724 H ASN 103 HN ASN 103 -7.060 14.747 1.781 725 HA ASN 103 HA ASN 103 -8.232 16.065 -0.496 726 HB2 ASN 103 HB2 ASN 103 -5.761 15.302 -0.128 727 HB3 ASN 103 HB1 ASN 103 -6.357 13.726 -0.630 728 HD21 ASN 103 HD21 ASN 103 -4.397 15.290 -1.931 729 HD22 ASN 103 HD22 ASN 103 -4.995 15.684 -3.508 730 H TYR 104 HN TYR 104 -8.183 12.850 0.933 731 HA TYR 104 HA TYR 104 -10.591 12.165 -0.584 732 HB2 TYR 104 HB2 TYR 104 -8.899 9.838 -0.301 733 HB3 TYR 104 HB1 TYR 104 -9.660 10.478 -1.748 734 HD1 TYR 104 HD2 TYR 104 -6.732 11.068 0.463 735 HD2 TYR 104 HD1 TYR 104 -8.291 11.228 -3.500 736 HE1 TYR 104 HE2 TYR 104 -4.519 11.710 -0.358 737 HE2 TYR 104 HE1 TYR 104 -6.082 11.868 -4.352 738 HH TYR 104 HH TYR 104 -4.033 12.811 -3.612 739 H CYS 105 HN CYS 105 -12.001 11.726 0.965 740 HA CYS 105 HA CYS 105 -11.583 9.413 2.534 741 HB2 CYS 105 HB2 CYS 105 -10.592 10.665 4.195 742 HB3 CYS 105 HB1 CYS 105 -11.540 12.102 3.831 743 HG CYS 105 HG CYS 105 -13.452 9.620 4.963 744 H THR 106 HN THR 106 -13.415 8.337 2.394 745 HA THR 106 HA THR 106 -15.926 9.821 2.180 746 HB THR 106 HB THR 106 -16.899 7.564 1.622 747 HG1 THR 106 HG1 THR 106 -14.206 6.775 1.165 748 HG21 THR 106 HG21 THR 106 -16.369 9.203 -0.089 749 HG22 THR 106 HG22 THR 106 -16.025 7.571 -0.661 750 HG23 THR 106 HG23 THR 106 -14.704 8.623 -0.148 751 H ASP 107 HN ASP 107 -17.818 8.846 3.360 752 HA ASP 107 HA ASP 107 -17.331 8.835 6.126 753 HB2 ASP 107 HB2 ASP 107 -19.742 7.690 4.698 754 HB3 ASP 107 HB1 ASP 107 -19.665 8.204 6.381 755 H LYS 108 HN LYS 108 -18.361 6.161 4.025 756 HA LYS 108 HA LYS 108 -16.672 4.338 5.555 757 HB2 LYS 108 HB2 LYS 108 -19.083 4.337 6.405 758 HB3 LYS 108 HB1 LYS 108 -19.500 3.607 4.870 759 HG2 LYS 108 HG2 LYS 108 -17.530 2.411 6.806 760 HG3 LYS 108 HG1 LYS 108 -19.246 2.009 6.771 761 HD2 LYS 108 HD2 LYS 108 -18.912 1.370 4.348 762 HD3 LYS 108 HD1 LYS 108 -17.179 1.519 4.639 763 HE2 LYS 108 HE2 LYS 108 -17.849 -0.789 4.844 764 HE3 LYS 108 HE1 LYS 108 -17.367 -0.169 6.427 765 HZ1 LYS 108 HZ1 LYS 108 -20.157 -0.485 5.452 766 HZ2 LYS 108 HZ2 LYS 108 -19.713 0.125 6.974 767 HZ3 LYS 108 HZ3 LYS 108 -19.377 -1.488 6.577 768 H SER 109 HN SER 109 -19.035 4.465 2.880 769 HA SER 109 HA SER 109 -18.994 3.657 0.762 770 HB2 SER 109 HB2 SER 109 -17.413 5.518 0.602 771 HB3 SER 109 HB1 SER 109 -16.080 4.418 0.946 772 HG SER 109 HG SER 109 -16.039 4.193 -1.141 773 H GLU 110 HN GLU 110 -18.903 1.673 2.571 774 HA GLU 110 HA GLU 110 -18.145 -0.461 3.075 775 HB2 GLU 110 HB2 GLU 110 -18.904 -0.620 0.164 776 HB3 GLU 110 HB1 GLU 110 -18.867 -1.964 1.297 777 HG2 GLU 110 HG2 GLU 110 -20.645 0.452 1.514 778 HG3 GLU 110 HG1 GLU 110 -21.134 -1.133 0.915 779 H GLN 111 HN GLN 111 -15.758 0.573 3.010 780 HA GLN 111 HA GLN 111 -14.002 -0.321 1.004 781 HB2 GLN 111 HB2 GLN 111 -12.556 -0.336 3.414 782 HB3 GLN 111 HB1 GLN 111 -12.596 0.929 2.199 783 HG2 GLN 111 HG2 GLN 111 -13.128 2.053 4.141 784 HG3 GLN 111 HG1 GLN 111 -14.707 1.744 3.428 785 HE21 GLN 111 HE21 GLN 111 -14.621 -1.115 4.247 786 HE22 GLN 111 HE22 GLN 111 -14.945 -1.102 5.949 787 H GLN 112 HN GLN 112 -12.302 -1.978 1.266 788 HA GLN 112 HA GLN 112 -11.686 -4.162 1.428 789 HB2 GLN 112 HB2 GLN 112 -11.849 -3.468 3.913 790 HB3 GLN 112 HB1 GLN 112 -13.354 -4.374 3.928 791 HG2 GLN 112 HG2 GLN 112 -12.188 -6.400 3.343 792 HG3 GLN 112 HG1 GLN 112 -10.673 -5.512 3.177 793 HE21 GLN 112 HE21 GLN 112 -12.998 -6.832 5.376 794 HE22 GLN 112 HE22 GLN 112 -12.050 -6.639 6.814 795 HA PRO 113 HA PRO 113 -15.916 -4.897 -0.361 796 HB2 PRO 113 HB2 PRO 113 -14.398 -5.824 -2.704 797 HB3 PRO 113 HB1 PRO 113 -15.652 -4.584 -2.594 798 HG2 PRO 113 HG2 PRO 113 -13.077 -3.953 -3.001 799 HG3 PRO 113 HG1 PRO 113 -14.147 -2.927 -2.028 800 HD2 PRO 113 HD2 PRO 113 -12.085 -4.907 -1.128 801 HD3 PRO 113 HD1 PRO 113 -12.443 -3.287 -0.492 802 H SER 114 HN SER 114 -16.769 -6.665 0.509 803 HA SER 114 HA SER 114 -15.540 -9.271 0.132 804 HB2 SER 114 HB2 SER 114 -18.177 -8.541 1.440 805 HB3 SER 114 HB1 SER 114 -17.349 -10.095 1.549 806 HG SER 114 HG SER 114 -16.076 -9.311 3.033 807 H GLN 115 HN GLN 115 -17.969 -7.235 -1.221 808 HA GLN 115 HA GLN 115 -19.416 -9.252 -2.607 809 HB2 GLN 115 HB2 GLN 115 -20.296 -7.311 -3.968 810 HB3 GLN 115 HB1 GLN 115 -20.583 -7.244 -2.239 811 HG2 GLN 115 HG2 GLN 115 -19.990 -5.076 -2.793 812 HG3 GLN 115 HG1 GLN 115 -18.508 -5.756 -2.134 813 HE21 GLN 115 HE21 GLN 115 -17.322 -4.140 -3.197 814 HE22 GLN 115 HE22 GLN 115 -17.011 -4.223 -4.902 815 H ALA 116 HN ALA 116 -16.351 -7.969 -3.080 816 HA ALA 116 HA ALA 116 -16.242 -8.485 -5.929 817 HB1 ALA 116 HB1 ALA 116 -14.832 -6.726 -4.999 818 HB2 ALA 116 HB2 ALA 116 -13.838 -8.007 -5.693 819 HB3 ALA 116 HB3 ALA 116 -14.040 -7.896 -3.944 820 H THR 117 HN THR 117 -17.214 -10.667 -5.368 821 HA THR 117 HA THR 117 -15.356 -12.589 -4.220 822 HB THR 117 HB THR 117 -18.162 -13.066 -5.236 823 HG1 THR 117 HG1 THR 117 -17.204 -11.865 -2.912 824 HG21 THR 117 HG21 THR 117 -16.458 -14.590 -3.259 825 HG22 THR 117 HG22 THR 117 -16.790 -15.087 -4.917 826 HG23 THR 117 HG23 THR 117 -18.105 -15.001 -3.746 827 HA PRO 118 HA PRO 118 -14.263 -13.935 -8.370 828 HB2 PRO 118 HB2 PRO 118 -12.188 -15.473 -7.640 829 HB3 PRO 118 HB1 PRO 118 -12.072 -13.710 -7.647 830 HG2 PRO 118 HG2 PRO 118 -12.462 -15.578 -5.353 831 HG3 PRO 118 HG1 PRO 118 -11.487 -14.100 -5.444 832 HD2 PRO 118 HD2 PRO 118 -14.008 -14.268 -4.317 833 HD3 PRO 118 HD1 PRO 118 -13.256 -12.773 -4.901 834 HA PRO 119 HA PRO 119 -16.392 -17.850 -8.369 835 HB2 PRO 119 HB2 PRO 119 -15.005 -18.488 -10.870 836 HB3 PRO 119 HB1 PRO 119 -16.723 -18.201 -10.589 837 HG2 PRO 119 HG2 PRO 119 -15.167 -16.457 -11.941 838 HG3 PRO 119 HG1 PRO 119 -16.541 -15.939 -10.947 839 HD2 PRO 119 HD2 PRO 119 -13.613 -15.882 -10.311 840 HD3 PRO 119 HD1 PRO 119 -14.868 -14.674 -9.958 841 HA PRO 120 HA PRO 120 -13.619 -20.623 -6.342 842 HB2 PRO 120 HB2 PRO 120 -15.164 -22.706 -7.837 843 HB3 PRO 120 HB1 PRO 120 -14.738 -22.638 -6.123 844 HG2 PRO 120 HG2 PRO 120 -17.196 -22.014 -6.928 845 HG3 PRO 120 HG1 PRO 120 -16.403 -21.105 -5.628 846 HD2 PRO 120 HD2 PRO 120 -16.922 -20.312 -8.448 847 HD3 PRO 120 HD1 PRO 120 -16.827 -19.306 -6.988 848 H GLU 121 HN GLU 121 -14.441 -22.060 -9.501 849 HA GLU 121 HA GLU 121 -11.618 -22.532 -10.018 850 HB2 GLU 121 HB2 GLU 121 -14.104 -23.244 -11.581 851 HB3 GLU 121 HB1 GLU 121 -12.470 -23.630 -12.104 852 HG2 GLU 121 HG2 GLU 121 -13.833 -24.614 -9.612 853 HG3 GLU 121 HG1 GLU 121 -13.485 -25.550 -11.066 854 H ILE 122 HN ILE 122 -10.747 -20.555 -10.347 855 HA ILE 122 HA ILE 122 -11.881 -18.464 -11.816 856 HB ILE 122 HB ILE 122 -9.648 -17.468 -11.926 857 HG12 ILE 122 HG12 ILE 122 -8.440 -19.686 -12.278 858 HG13 ILE 122 HG11 ILE 122 -7.661 -18.536 -11.199 859 HG21 ILE 122 HG21 ILE 122 -9.244 -17.306 -9.509 860 HG22 ILE 122 HG22 ILE 122 -10.316 -18.684 -9.253 861 HG23 ILE 122 HG23 ILE 122 -10.954 -17.181 -9.921 862 HD11 ILE 122 HD11 ILE 122 -8.459 -19.789 -9.275 863 HD12 ILE 122 HD12 ILE 122 -7.525 -20.821 -10.360 864 HD13 ILE 122 HD13 ILE 122 -9.286 -20.924 -10.343 865 HA PRO 123 HA PRO 123 -11.419 -19.844 -15.990 866 HB2 PRO 123 HB2 PRO 123 -11.529 -17.001 -16.719 867 HB3 PRO 123 HB1 PRO 123 -12.656 -18.302 -17.113 868 HG2 PRO 123 HG2 PRO 123 -13.296 -16.361 -15.367 869 HG3 PRO 123 HG1 PRO 123 -13.864 -18.029 -15.166 870 HD2 PRO 123 HD2 PRO 123 -11.613 -16.615 -13.784 871 HD3 PRO 123 HD1 PRO 123 -12.835 -17.717 -13.112 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 -2.742 12.674 -6.088 2 H2 ALA 1 HT2 ALA 1 -2.488 12.303 -7.724 3 H3 ALA 1 HT3 ALA 1 -1.283 11.974 -6.581 4 HA ALA 1 HA ALA 1 -2.583 9.989 -7.335 5 HB1 ALA 1 HB1 ALA 1 -2.775 10.602 -4.391 6 HB2 ALA 1 HB2 ALA 1 -1.290 10.118 -5.212 7 HB3 ALA 1 HB3 ALA 1 -2.667 9.013 -5.159 8 HA PRO 2 HA PRO 2 -6.935 10.572 -7.600 9 HB2 PRO 2 HB2 PRO 2 -7.040 7.667 -7.876 10 HB3 PRO 2 HB1 PRO 2 -7.482 8.920 -9.025 11 HG2 PRO 2 HG2 PRO 2 -5.299 7.442 -9.425 12 HG3 PRO 2 HG1 PRO 2 -5.283 9.185 -9.777 13 HD2 PRO 2 HD2 PRO 2 -4.308 7.775 -7.314 14 HD3 PRO 2 HD1 PRO 2 -3.458 8.970 -8.321 15 H THR 3 HN THR 3 -5.667 7.947 -5.600 16 HA THR 3 HA THR 3 -7.967 8.329 -3.816 17 HB THR 3 HB THR 3 -7.951 5.937 -3.317 18 HG1 THR 3 HG1 THR 3 -6.713 4.632 -4.959 19 HG21 THR 3 HG21 THR 3 -8.209 6.587 -6.260 20 HG22 THR 3 HG22 THR 3 -9.464 6.758 -5.030 21 HG23 THR 3 HG23 THR 3 -8.877 5.154 -5.470 22 H LEU 4 HN LEU 4 -7.538 7.493 -1.571 23 HA LEU 4 HA LEU 4 -5.277 8.842 -0.598 24 HB2 LEU 4 HB2 LEU 4 -7.255 8.685 0.755 25 HB3 LEU 4 HB1 LEU 4 -7.159 6.928 0.775 26 HG LEU 4 HG LEU 4 -4.991 7.164 2.038 27 HD11 LEU 4 HD11 LEU 4 -4.393 9.400 1.421 28 HD12 LEU 4 HD12 LEU 4 -4.667 9.357 3.173 29 HD13 LEU 4 HD13 LEU 4 -5.899 10.030 2.102 30 HD21 LEU 4 HD21 LEU 4 -7.108 6.625 3.145 31 HD22 LEU 4 HD22 LEU 4 -7.447 8.347 3.330 32 HD23 LEU 4 HD23 LEU 4 -6.072 7.621 4.165 33 H GLN 5 HN GLN 5 -5.730 5.547 -1.549 34 HA GLN 5 HA GLN 5 -3.366 4.599 -0.213 35 HB2 GLN 5 HB2 GLN 5 -5.443 3.235 -0.739 36 HB3 GLN 5 HB1 GLN 5 -4.876 3.205 -2.408 37 HG2 GLN 5 HG2 GLN 5 -2.784 2.432 -0.586 38 HG3 GLN 5 HG1 GLN 5 -4.219 1.438 -0.359 39 HE21 GLN 5 HE21 GLN 5 -1.627 2.290 -2.485 40 HE22 GLN 5 HE22 GLN 5 -1.896 1.046 -3.644 41 H GLU 6 HN GLU 6 -4.175 5.852 -3.404 42 HA GLU 6 HA GLU 6 -1.673 5.159 -4.599 43 HB2 GLU 6 HB2 GLU 6 -3.648 5.846 -5.952 44 HB3 GLU 6 HB1 GLU 6 -3.459 7.483 -5.327 45 HG2 GLU 6 HG2 GLU 6 -2.417 7.531 -7.401 46 HG3 GLU 6 HG1 GLU 6 -1.109 7.405 -6.244 47 H ALA 7 HN ALA 7 -2.853 7.739 -2.598 48 HA ALA 7 HA ALA 7 -0.624 9.489 -2.827 49 HB1 ALA 7 HB1 ALA 7 -1.417 10.417 -0.676 50 HB2 ALA 7 HB2 ALA 7 -2.545 9.067 -0.514 51 HB3 ALA 7 HB3 ALA 7 -2.732 10.223 -1.836 52 H LEU 8 HN LEU 8 -1.290 6.580 -1.071 53 HA LEU 8 HA LEU 8 1.032 6.613 0.554 54 HB2 LEU 8 HB2 LEU 8 -0.728 4.391 -0.364 55 HB3 LEU 8 HB1 LEU 8 0.611 4.164 0.737 56 HG LEU 8 HG LEU 8 -1.972 5.591 1.195 57 HD11 LEU 8 HD11 LEU 8 -0.448 3.518 2.757 58 HD12 LEU 8 HD12 LEU 8 -1.762 3.174 1.630 59 HD13 LEU 8 HD13 LEU 8 -2.078 4.108 3.092 60 HD21 LEU 8 HD21 LEU 8 -0.959 6.209 3.426 61 HD22 LEU 8 HD22 LEU 8 -0.448 7.165 2.032 62 HD23 LEU 8 HD23 LEU 8 0.611 5.910 2.677 63 H ASP 9 HN ASP 9 0.191 4.975 -2.473 64 HA ASP 9 HA ASP 9 2.627 3.749 -3.046 65 HB2 ASP 9 HB2 ASP 9 0.502 4.928 -4.883 66 HB3 ASP 9 HB1 ASP 9 1.885 4.009 -5.476 67 H ARG 10 HN ARG 10 1.627 7.021 -3.235 68 HA ARG 10 HA ARG 10 3.763 7.948 -4.940 69 HB2 ARG 10 HB2 ARG 10 1.295 8.814 -4.471 70 HB3 ARG 10 HB1 ARG 10 2.092 9.725 -3.209 71 HG2 ARG 10 HG2 ARG 10 2.923 11.184 -4.638 72 HG3 ARG 10 HG1 ARG 10 3.399 9.933 -5.799 73 HD2 ARG 10 HD2 ARG 10 0.992 9.708 -6.384 74 HD3 ARG 10 HD1 ARG 10 0.672 11.111 -5.370 75 HE ARG 10 HE ARG 10 2.124 12.391 -6.897 76 HH11 ARG 10 HH11 ARG 10 0.872 9.316 -8.002 77 HH12 ARG 10 HH12 ARG 10 0.861 9.772 -9.682 78 HH21 ARG 10 HH21 ARG 10 2.147 12.997 -9.097 79 HH22 ARG 10 HH22 ARG 10 1.585 11.877 -10.306 80 H LYS 11 HN LYS 11 2.965 7.911 -1.504 81 HA LYS 11 HA LYS 11 5.257 9.289 -0.591 82 HB2 LYS 11 HB2 LYS 11 3.132 8.722 0.706 83 HB3 LYS 11 HB1 LYS 11 3.855 7.132 0.927 84 HG2 LYS 11 HG2 LYS 11 4.251 8.744 2.799 85 HG3 LYS 11 HG1 LYS 11 5.705 8.035 2.099 86 HD2 LYS 11 HD2 LYS 11 6.038 10.397 2.436 87 HD3 LYS 11 HD1 LYS 11 6.000 10.031 0.711 88 HE2 LYS 11 HE2 LYS 11 3.671 10.719 0.610 89 HE3 LYS 11 HE1 LYS 11 3.709 11.075 2.326 90 HZ1 LYS 11 HZ1 LYS 11 3.952 13.079 1.005 91 HZ2 LYS 11 HZ2 LYS 11 5.324 12.446 0.248 92 HZ3 LYS 11 HZ3 LYS 11 5.355 12.793 1.910 93 H CYS 12 HN CYS 12 4.404 5.990 -1.263 94 HA CYS 12 HA CYS 12 6.726 4.654 -0.526 95 HB2 CYS 12 HB2 CYS 12 4.620 4.091 -2.595 96 HB3 CYS 12 HB1 CYS 12 5.903 2.960 -2.230 97 HG CYS 12 HG CYS 12 3.222 3.809 -0.383 98 H ALA 13 HN ALA 13 5.921 6.381 -3.476 99 HA ALA 13 HA ALA 13 8.229 5.489 -4.906 100 HB1 ALA 13 HB1 ALA 13 7.614 7.415 -6.441 101 HB2 ALA 13 HB2 ALA 13 6.209 7.678 -5.379 102 HB3 ALA 13 HB3 ALA 13 6.416 6.144 -6.233 103 H GLN 14 HN GLN 14 7.556 7.894 -2.576 104 HA GLN 14 HA GLN 14 9.754 9.627 -3.185 105 HB2 GLN 14 HB2 GLN 14 7.925 9.397 -0.824 106 HB3 GLN 14 HB1 GLN 14 9.205 10.603 -0.939 107 HG2 GLN 14 HG2 GLN 14 8.173 11.391 -3.052 108 HG3 GLN 14 HG1 GLN 14 6.834 10.292 -2.749 109 HE21 GLN 14 HE21 GLN 14 8.565 12.066 -0.287 110 HE22 GLN 14 HE22 GLN 14 7.264 13.123 0.156 111 H PHE 15 HN PHE 15 9.233 6.830 -1.228 112 HA PHE 15 HA PHE 15 11.837 7.132 0.080 113 HB2 PHE 15 HB2 PHE 15 9.746 4.996 0.530 114 HB3 PHE 15 HB1 PHE 15 11.168 5.297 1.518 115 HD1 PHE 15 HD2 PHE 15 11.158 8.133 1.913 116 HD2 PHE 15 HD1 PHE 15 7.882 5.433 1.802 117 HE1 PHE 15 HE2 PHE 15 9.873 9.648 3.344 118 HE2 PHE 15 HE1 PHE 15 6.575 6.955 3.223 119 HZ PHE 15 HZ PHE 15 7.514 9.028 3.974 120 H GLY 16 HN GLY 16 9.994 4.632 -1.663 121 HA2 GLY 16 HA2 GLY 16 11.986 2.728 -1.945 122 HA3 GLY 16 HA1 GLY 16 10.654 2.960 -3.059 123 H LYS 17 HN LYS 17 11.028 5.149 -4.345 124 HA LYS 17 HA LYS 17 13.193 4.441 -6.074 125 HB2 LYS 17 HB2 LYS 17 11.444 6.879 -6.253 126 HB3 LYS 17 HB1 LYS 17 12.258 6.016 -7.558 127 HG2 LYS 17 HG2 LYS 17 10.167 4.691 -5.896 128 HG3 LYS 17 HG1 LYS 17 9.757 5.670 -7.267 129 HD2 LYS 17 HD2 LYS 17 11.720 3.440 -7.492 130 HD3 LYS 17 HD1 LYS 17 9.975 3.159 -7.616 131 HE2 LYS 17 HE2 LYS 17 11.062 5.421 -9.107 132 HE3 LYS 17 HE1 LYS 17 11.497 3.821 -9.716 133 HZ1 LYS 17 HZ1 LYS 17 9.036 3.342 -9.633 134 HZ2 LYS 17 HZ2 LYS 17 9.528 4.454 -10.815 135 HZ3 LYS 17 HZ3 LYS 17 8.798 5.005 -9.385 136 H GLU 18 HN GLU 18 12.752 6.661 -3.463 137 HA GLU 18 HA GLU 18 14.992 8.309 -4.013 138 HB2 GLU 18 HB2 GLU 18 13.519 9.046 -2.323 139 HB3 GLU 18 HB1 GLU 18 13.625 7.533 -1.436 140 HG2 GLU 18 HG2 GLU 18 15.945 8.033 -0.867 141 HG3 GLU 18 HG1 GLU 18 15.862 9.526 -1.797 142 H SER 19 HN SER 19 14.602 5.245 -2.279 143 HA SER 19 HA SER 19 17.269 4.671 -1.717 144 HB2 SER 19 HB2 SER 19 15.137 2.764 -2.666 145 HB3 SER 19 HB1 SER 19 16.625 2.323 -1.816 146 HG SER 19 HG SER 19 14.618 4.039 -0.748 147 H CYS 20 HN CYS 20 15.425 4.382 -4.662 148 HA CYS 20 HA CYS 20 17.557 3.123 -6.037 149 HB2 CYS 20 HB2 CYS 20 14.796 3.558 -6.433 150 HB3 CYS 20 HB1 CYS 20 15.681 3.955 -7.897 151 HG CYS 20 HG CYS 20 17.190 1.598 -7.904 152 H ASN 21 HN ASN 21 16.459 6.369 -5.663 153 HA ASN 21 HA ASN 21 18.215 7.474 -7.639 154 HB2 ASN 21 HB2 ASN 21 16.532 8.575 -5.444 155 HB3 ASN 21 HB1 ASN 21 17.854 9.569 -6.053 156 HD21 ASN 21 HD21 ASN 21 14.820 8.052 -6.830 157 HD22 ASN 21 HD22 ASN 21 14.528 8.933 -8.295 158 H SER 22 HN SER 22 18.660 6.177 -4.536 159 HA SER 22 HA SER 22 21.103 7.656 -4.013 160 HB2 SER 22 HB2 SER 22 19.763 5.458 -2.429 161 HB3 SER 22 HB1 SER 22 21.150 6.411 -1.902 162 HG SER 22 HG SER 22 18.507 7.318 -2.409 163 H GLY 23 HN GLY 23 20.102 4.497 -5.172 164 HA2 GLY 23 HA2 GLY 23 22.197 3.761 -6.606 165 HA3 GLY 23 HA1 GLY 23 22.847 3.505 -4.997 166 H LEU 24 HN LEU 24 19.549 2.890 -4.978 167 HA LEU 24 HA LEU 24 19.983 0.051 -4.951 168 HB2 LEU 24 HB2 LEU 24 17.813 1.905 -4.255 169 HB3 LEU 24 HB1 LEU 24 17.264 0.380 -4.924 170 HG LEU 24 HG LEU 24 17.570 0.638 -2.342 171 HD11 LEU 24 HD11 LEU 24 18.137 -1.742 -2.174 172 HD12 LEU 24 HD12 LEU 24 18.625 -1.736 -3.869 173 HD13 LEU 24 HD13 LEU 24 16.944 -1.431 -3.432 174 HD21 LEU 24 HD21 LEU 24 19.797 -0.052 -1.588 175 HD22 LEU 24 HD22 LEU 24 19.841 1.496 -2.433 176 HD23 LEU 24 HD23 LEU 24 20.371 0.026 -3.258 177 H ALA 25 HN ALA 25 19.500 -1.394 -6.465 178 HA ALA 25 HA ALA 25 18.757 -0.425 -9.108 179 HB1 ALA 25 HB1 ALA 25 20.579 -2.053 -8.821 180 HB2 ALA 25 HB2 ALA 25 19.312 -2.610 -9.911 181 HB3 ALA 25 HB3 ALA 25 19.398 -3.238 -8.265 182 H SER 26 HN SER 26 17.219 -2.075 -6.483 183 HA SER 26 HA SER 26 15.334 -3.559 -7.918 184 HB2 SER 26 HB2 SER 26 14.062 -3.539 -5.761 185 HB3 SER 26 HB1 SER 26 15.725 -4.114 -5.664 186 HG SER 26 HG SER 26 15.362 -2.676 -3.984 187 H TYR 27 HN TYR 27 14.921 -0.408 -6.328 188 HA TYR 27 HA TYR 27 12.239 -0.054 -7.191 189 HB2 TYR 27 HB2 TYR 27 14.136 2.168 -6.263 190 HB3 TYR 27 HB1 TYR 27 12.362 2.083 -6.123 191 HD1 TYR 27 HD2 TYR 27 11.376 0.183 -4.692 192 HD2 TYR 27 HD1 TYR 27 15.461 1.425 -4.433 193 HE1 TYR 27 HE2 TYR 27 11.563 -0.914 -2.506 194 HE2 TYR 27 HE1 TYR 27 15.648 0.301 -2.263 195 HH TYR 27 HH TYR 27 14.237 -0.425 -0.425 196 H CYS 28 HN CYS 28 15.082 0.102 -8.988 197 HA CYS 28 HA CYS 28 14.742 2.560 -10.336 198 HB2 CYS 28 HB2 CYS 28 16.906 1.445 -10.254 199 HB3 CYS 28 HB1 CYS 28 16.269 0.077 -11.158 200 HG CYS 28 HG CYS 28 17.730 2.741 -12.302 201 H GLY 29 HN GLY 29 13.013 3.009 -11.543 202 HA2 GLY 29 HA2 GLY 29 11.432 2.839 -13.209 203 HA3 GLY 29 HA1 GLY 29 12.302 1.435 -13.816 204 H ALA 30 HN ALA 30 11.530 1.176 -10.547 205 HA ALA 30 HA ALA 30 9.582 -0.892 -11.171 206 HB1 ALA 30 HB1 ALA 30 11.359 -1.540 -9.700 207 HB2 ALA 30 HB2 ALA 30 9.848 -1.512 -8.786 208 HB3 ALA 30 HB3 ALA 30 11.010 -0.193 -8.614 209 H ALA 31 HN ALA 31 7.541 -0.931 -10.442 210 HA ALA 31 HA ALA 31 6.279 1.547 -9.684 211 HB1 ALA 31 HB1 ALA 31 5.194 -1.230 -10.129 212 HB2 ALA 31 HB2 ALA 31 5.208 0.102 -11.298 213 HB3 ALA 31 HB3 ALA 31 4.221 0.218 -9.842 214 H ILE 32 HN ILE 32 6.495 2.106 -7.511 215 HA ILE 32 HA ILE 32 6.484 -0.145 -5.637 216 HB ILE 32 HB ILE 32 8.448 1.341 -5.460 217 HG12 ILE 32 HG12 ILE 32 6.842 1.764 -2.971 218 HG13 ILE 32 HG11 ILE 32 7.187 0.122 -3.489 219 HG21 ILE 32 HG21 ILE 32 6.450 3.405 -4.595 220 HG22 ILE 32 HG22 ILE 32 7.332 3.397 -6.126 221 HG23 ILE 32 HG23 ILE 32 8.206 3.583 -4.600 222 HD11 ILE 32 HD11 ILE 32 8.781 0.937 -1.835 223 HD12 ILE 32 HD12 ILE 32 9.249 2.239 -2.930 224 HD13 ILE 32 HD13 ILE 32 9.560 0.554 -3.374 225 H TYR 33 HN TYR 33 4.967 -0.438 -4.191 226 HA TYR 33 HA TYR 33 2.723 1.476 -4.182 227 HB2 TYR 33 HB2 TYR 33 2.549 -1.538 -4.024 228 HB3 TYR 33 HB1 TYR 33 1.204 -0.412 -4.076 229 HD1 TYR 33 HD1 TYR 33 0.644 0.760 -6.162 230 HD2 TYR 33 HD2 TYR 33 3.707 -2.186 -6.021 231 HE1 TYR 33 HE1 TYR 33 0.594 0.599 -8.603 232 HE2 TYR 33 HE2 TYR 33 3.667 -2.351 -8.473 233 HH TYR 33 HH TYR 33 2.009 -0.069 -10.436 234 H ALA 34 HN ALA 34 1.400 1.437 -2.292 235 HA ALA 34 HA ALA 34 2.865 0.766 0.143 236 HB1 ALA 34 HB1 ALA 34 1.511 2.928 -0.312 237 HB2 ALA 34 HB2 ALA 34 1.421 2.150 1.274 238 HB3 ALA 34 HB3 ALA 34 0.113 1.921 0.103 239 H ARG 35 HN ARG 35 2.550 -1.101 1.147 240 HA ARG 35 HA ARG 35 -0.162 -2.194 1.103 241 HB2 ARG 35 HB2 ARG 35 1.720 -3.313 -0.491 242 HB3 ARG 35 HB1 ARG 35 2.011 -4.214 0.983 243 HG2 ARG 35 HG2 ARG 35 0.445 -5.383 -0.455 244 HG3 ARG 35 HG1 ARG 35 -0.338 -4.882 1.045 245 HD2 ARG 35 HD2 ARG 35 -1.776 -4.462 -0.884 246 HD3 ARG 35 HD1 ARG 35 -1.309 -2.953 -0.099 247 HE ARG 35 HE ARG 35 0.559 -3.214 -2.020 248 HH11 ARG 35 HH11 ARG 35 -2.898 -3.606 -2.257 249 HH12 ARG 35 HH12 ARG 35 -3.009 -2.821 -3.801 250 HH21 ARG 35 HH21 ARG 35 0.416 -2.181 -4.063 251 HH22 ARG 35 HH22 ARG 35 -1.128 -2.024 -4.828 252 H TYR 36 HN TYR 36 -0.810 -2.263 3.098 253 HA TYR 36 HA TYR 36 0.956 -2.434 5.357 254 HB2 TYR 36 HB2 TYR 36 -1.356 -1.334 5.299 255 HB3 TYR 36 HB1 TYR 36 -2.027 -2.962 5.310 256 HD1 TYR 36 HD1 TYR 36 0.215 -0.697 7.249 257 HD2 TYR 36 HD2 TYR 36 -2.374 -4.062 7.289 258 HE1 TYR 36 HE1 TYR 36 0.339 -0.756 9.697 259 HE2 TYR 36 HE2 TYR 36 -2.285 -4.133 9.727 260 HH TYR 36 HH TYR 36 -0.704 -3.405 11.534 261 H ASP 37 HN ASP 37 2.125 -4.346 4.922 262 HA ASP 37 HA ASP 37 0.747 -6.838 5.404 263 HB2 ASP 37 HB2 ASP 37 1.033 -6.143 2.755 264 HB3 ASP 37 HB1 ASP 37 2.530 -7.024 3.064 265 H LYS 38 HN LYS 38 2.740 -8.611 4.813 266 HA LYS 38 HA LYS 38 4.618 -8.044 6.916 267 HB2 LYS 38 HB2 LYS 38 4.644 -10.269 4.879 268 HB3 LYS 38 HB1 LYS 38 5.543 -10.240 6.385 269 HG2 LYS 38 HG2 LYS 38 3.535 -10.430 7.656 270 HG3 LYS 38 HG1 LYS 38 2.545 -10.234 6.218 271 HD2 LYS 38 HD2 LYS 38 4.354 -12.538 6.905 272 HD3 LYS 38 HD1 LYS 38 2.595 -12.555 6.772 273 HE2 LYS 38 HE2 LYS 38 2.777 -12.025 4.388 274 HE3 LYS 38 HE1 LYS 38 4.531 -12.033 4.532 275 HZ1 LYS 38 HZ1 LYS 38 4.509 -14.351 5.046 276 HZ2 LYS 38 HZ2 LYS 38 3.603 -14.121 3.635 277 HZ3 LYS 38 HZ3 LYS 38 2.813 -14.384 5.110 278 H GLY 39 HN GLY 39 6.847 -7.779 6.726 279 HA2 GLY 39 HA2 GLY 39 7.811 -6.786 4.154 280 HA3 GLY 39 HA1 GLY 39 8.662 -6.694 5.693 281 H ASN 40 HN ASN 40 10.460 -7.867 5.652 282 HA ASN 40 HA ASN 40 10.870 -10.111 3.952 283 HB2 ASN 40 HB2 ASN 40 12.806 -8.908 4.632 284 HB3 ASN 40 HB1 ASN 40 12.356 -8.995 6.336 285 HD21 ASN 40 HD21 ASN 40 13.716 -10.698 3.629 286 HD22 ASN 40 HD22 ASN 40 14.388 -12.020 4.534 287 H SER 41 HN SER 41 11.229 -12.358 4.727 288 HA SER 41 HA SER 41 8.887 -13.338 5.799 289 HB2 SER 41 HB2 SER 41 10.345 -15.476 6.140 290 HB3 SER 41 HB1 SER 41 10.077 -14.853 4.511 291 HG SER 41 HG SER 41 12.211 -15.055 4.525 292 H SER 42 HN SER 42 11.970 -12.793 7.445 293 HA SER 42 HA SER 42 11.198 -14.027 9.879 294 HB2 SER 42 HB2 SER 42 13.338 -11.937 9.432 295 HB3 SER 42 HB1 SER 42 13.240 -13.071 10.778 296 HG SER 42 HG SER 42 14.666 -13.556 8.859 297 H GLN 43 HN GLN 43 10.241 -11.081 8.511 298 HA GLN 43 HA GLN 43 9.992 -9.748 11.105 299 HB2 GLN 43 HB2 GLN 43 9.596 -8.689 8.307 300 HB3 GLN 43 HB1 GLN 43 9.418 -7.738 9.776 301 HG2 GLN 43 HG2 GLN 43 11.934 -9.039 8.765 302 HG3 GLN 43 HG1 GLN 43 11.564 -7.316 8.790 303 HE21 GLN 43 HE21 GLN 43 11.601 -6.207 10.751 304 HE22 GLN 43 HE22 GLN 43 12.387 -6.857 12.158 305 H GLN 44 HN GLN 44 8.008 -10.905 8.425 306 HA GLN 44 HA GLN 44 5.766 -10.721 7.975 307 HB2 GLN 44 HB2 GLN 44 4.358 -11.828 9.705 308 HB3 GLN 44 HB1 GLN 44 5.769 -12.750 9.228 309 HG2 GLN 44 HG2 GLN 44 6.883 -11.923 11.305 310 HG3 GLN 44 HG1 GLN 44 5.336 -11.208 11.753 311 HE21 GLN 44 HE21 GLN 44 3.734 -13.354 10.690 312 HE22 GLN 44 HE22 GLN 44 3.933 -14.692 11.761 313 H THR 45 HN THR 45 4.115 -10.320 10.743 314 HA THR 45 HA THR 45 2.794 -8.655 11.533 315 HB THR 45 HB THR 45 3.981 -6.890 12.713 316 HG1 THR 45 HG1 THR 45 5.725 -6.139 11.781 317 HG21 THR 45 HG21 THR 45 5.405 -8.276 14.095 318 HG22 THR 45 HG22 THR 45 5.495 -9.494 12.822 319 HG23 THR 45 HG23 THR 45 3.959 -9.171 13.628 320 H LYS 46 HN LYS 46 1.420 -7.825 9.997 321 HA LYS 46 HA LYS 46 2.260 -6.265 7.823 322 HB2 LYS 46 HB2 LYS 46 -0.423 -6.092 9.149 323 HB3 LYS 46 HB1 LYS 46 -0.026 -5.578 7.529 324 HG2 LYS 46 HG2 LYS 46 0.697 -8.169 7.399 325 HG3 LYS 46 HG1 LYS 46 -0.638 -8.250 8.553 326 HD2 LYS 46 HD2 LYS 46 -1.996 -6.894 6.958 327 HD3 LYS 46 HD1 LYS 46 -0.687 -7.041 5.803 328 HE2 LYS 46 HE2 LYS 46 -0.900 -9.554 6.073 329 HE3 LYS 46 HE1 LYS 46 -2.422 -9.221 6.899 330 HZ1 LYS 46 HZ1 LYS 46 -3.195 -8.072 4.908 331 HZ2 LYS 46 HZ2 LYS 46 -2.792 -9.677 4.563 332 HZ3 LYS 46 HZ3 LYS 46 -1.736 -8.428 4.115 333 H GLU 47 HN GLU 47 3.117 -4.407 7.827 334 HA GLU 47 HA GLU 47 2.012 -2.210 9.399 335 HB2 GLU 47 HB2 GLU 47 4.977 -2.832 9.170 336 HB3 GLU 47 HB1 GLU 47 4.318 -1.300 9.746 337 HG2 GLU 47 HG2 GLU 47 3.465 -2.269 11.691 338 HG3 GLU 47 HG1 GLU 47 3.597 -3.900 11.047 339 H TRP 48 HN TRP 48 2.170 -0.225 8.271 340 HA TRP 48 HA TRP 48 2.060 -0.430 5.499 341 HB2 TRP 48 HB2 TRP 48 2.475 1.913 7.323 342 HB3 TRP 48 HB1 TRP 48 2.530 2.093 5.576 343 HD1 TRP 48 HD1 TRP 48 0.196 2.374 8.327 344 HE1 TRP 48 HE1 TRP 48 -2.243 2.342 7.464 345 HE3 TRP 48 HE3 TRP 48 1.022 0.596 3.608 346 HZ2 TRP 48 HZ2 TRP 48 -3.630 1.620 5.098 347 HZ3 TRP 48 HZ3 TRP 48 -0.898 0.274 2.102 348 HH2 TRP 48 HH2 TRP 48 -3.180 0.769 2.844 349 H ARG 49 HN ARG 49 3.665 -1.050 4.253 350 HA ARG 49 HA ARG 49 6.268 0.233 4.658 351 HB2 ARG 49 HB2 ARG 49 5.694 -2.665 4.030 352 HB3 ARG 49 HB1 ARG 49 7.264 -1.930 3.755 353 HG2 ARG 49 HG2 ARG 49 7.644 -1.613 6.043 354 HG3 ARG 49 HG1 ARG 49 5.954 -1.883 6.457 355 HD2 ARG 49 HD2 ARG 49 6.177 -4.222 5.733 356 HD3 ARG 49 HD1 ARG 49 7.877 -3.936 5.370 357 HE ARG 49 HE ARG 49 8.164 -3.510 7.783 358 HH11 ARG 49 HH11 ARG 49 5.356 -5.286 6.721 359 HH12 ARG 49 HH12 ARG 49 5.173 -6.143 8.225 360 HH21 ARG 49 HH21 ARG 49 7.943 -4.674 9.766 361 HH22 ARG 49 HH22 ARG 49 6.639 -5.808 9.929 362 H CYS 50 HN CYS 50 7.554 0.227 2.628 363 HA CYS 50 HA CYS 50 5.750 0.648 0.359 364 HB2 CYS 50 HB2 CYS 50 8.663 1.424 0.711 365 HB3 CYS 50 HB1 CYS 50 7.605 1.913 -0.616 366 HG CYS 50 HG CYS 50 5.844 3.267 1.259 367 H TYR 51 HN TYR 51 5.626 -0.866 -1.099 368 HA TYR 51 HA TYR 51 7.824 -2.821 -1.347 369 HB2 TYR 51 HB2 TYR 51 4.854 -3.322 -1.615 370 HB3 TYR 51 HB1 TYR 51 6.112 -4.521 -1.831 371 HD1 TYR 51 HD1 TYR 51 7.826 -4.176 0.408 372 HD2 TYR 51 HD2 TYR 51 3.602 -3.870 0.234 373 HE1 TYR 51 HE1 TYR 51 7.697 -4.747 2.794 374 HE2 TYR 51 HE2 TYR 51 3.452 -4.437 2.624 375 HH TYR 51 HH TYR 51 6.007 -4.295 4.688 376 H ILE 52 HN ILE 52 8.697 -2.629 -3.366 377 HA ILE 52 HA ILE 52 7.220 -1.397 -5.454 378 HB ILE 52 HB ILE 52 9.085 -2.517 -6.912 379 HG12 ILE 52 HG12 ILE 52 10.300 -2.506 -4.188 380 HG13 ILE 52 HG11 ILE 52 9.923 -3.954 -5.133 381 HG21 ILE 52 HG21 ILE 52 8.744 -0.099 -6.393 382 HG22 ILE 52 HG22 ILE 52 10.428 -0.580 -6.598 383 HG23 ILE 52 HG23 ILE 52 9.778 -0.324 -4.976 384 HD11 ILE 52 HD11 ILE 52 11.792 -1.762 -6.002 385 HD12 ILE 52 HD12 ILE 52 11.465 -3.284 -6.846 386 HD13 ILE 52 HD13 ILE 52 12.287 -3.303 -5.287 387 H GLU 53 HN GLU 53 6.562 -2.432 -7.447 388 HA GLU 53 HA GLU 53 4.732 -4.435 -7.005 389 HB2 GLU 53 HB2 GLU 53 4.609 -2.922 -8.880 390 HB3 GLU 53 HB1 GLU 53 6.058 -3.608 -9.592 391 HG2 GLU 53 HG2 GLU 53 4.924 -5.725 -9.909 392 HG3 GLU 53 HG1 GLU 53 3.472 -5.069 -9.128 393 H LYS 54 HN LYS 54 8.071 -4.679 -7.934 394 HA LYS 54 HA LYS 54 8.475 -7.270 -8.656 395 HB2 LYS 54 HB2 LYS 54 9.990 -5.163 -7.479 396 HB3 LYS 54 HB1 LYS 54 10.348 -6.613 -6.562 397 HG2 LYS 54 HG2 LYS 54 10.449 -6.823 -9.518 398 HG3 LYS 54 HG1 LYS 54 11.721 -5.901 -8.721 399 HD2 LYS 54 HD2 LYS 54 12.520 -8.123 -8.913 400 HD3 LYS 54 HD1 LYS 54 12.076 -7.896 -7.223 401 HE2 LYS 54 HE2 LYS 54 9.946 -9.037 -7.641 402 HE3 LYS 54 HE1 LYS 54 10.411 -9.281 -9.326 403 HZ1 LYS 54 HZ1 LYS 54 11.847 -10.370 -6.959 404 HZ2 LYS 54 HZ2 LYS 54 12.284 -10.617 -8.578 405 HZ3 LYS 54 HZ3 LYS 54 10.826 -11.256 -7.980 406 H GLU 55 HN GLU 55 7.720 -6.018 -5.493 407 HA GLU 55 HA GLU 55 8.425 -8.515 -4.182 408 HB2 GLU 55 HB2 GLU 55 7.658 -5.822 -3.065 409 HB3 GLU 55 HB1 GLU 55 8.342 -7.161 -2.151 410 HG2 GLU 55 HG2 GLU 55 9.688 -5.686 -4.417 411 HG3 GLU 55 HG1 GLU 55 10.038 -5.478 -2.696 412 H LEU 56 HN LEU 56 5.564 -6.715 -5.036 413 HA LEU 56 HA LEU 56 3.888 -8.067 -3.132 414 HB2 LEU 56 HB2 LEU 56 3.253 -6.312 -5.486 415 HB3 LEU 56 HB1 LEU 56 2.034 -7.084 -4.515 416 HG LEU 56 HG LEU 56 2.893 -5.808 -2.510 417 HD11 LEU 56 HD11 LEU 56 4.450 -4.400 -4.700 418 HD12 LEU 56 HD12 LEU 56 5.141 -5.376 -3.403 419 HD13 LEU 56 HD13 LEU 56 4.306 -3.867 -3.027 420 HD21 LEU 56 HD21 LEU 56 0.942 -5.086 -3.758 421 HD22 LEU 56 HD22 LEU 56 1.961 -4.304 -4.976 422 HD23 LEU 56 HD23 LEU 56 1.913 -3.678 -3.318 423 H ASP 57 HN ASP 57 1.858 -9.013 -4.032 424 HA ASP 57 HA ASP 57 2.241 -10.572 -6.493 425 HB2 ASP 57 HB2 ASP 57 2.576 -11.994 -4.449 426 HB3 ASP 57 HB1 ASP 57 0.944 -11.583 -3.947 427 H PHE 58 HN PHE 58 0.597 -10.204 -7.870 428 HA PHE 58 HA PHE 58 -1.741 -8.750 -6.841 429 HB2 PHE 58 HB2 PHE 58 -0.477 -8.982 -9.557 430 HB3 PHE 58 HB1 PHE 58 -2.145 -8.439 -9.385 431 HD1 PHE 58 HD1 PHE 58 1.350 -7.678 -8.437 432 HD2 PHE 58 HD2 PHE 58 -2.658 -6.276 -8.665 433 HE1 PHE 58 HE1 PHE 58 2.135 -5.393 -7.972 434 HE2 PHE 58 HE2 PHE 58 -1.880 -3.983 -8.204 435 HZ PHE 58 HZ PHE 58 0.518 -3.542 -7.857 436 H SER 59 HN SER 59 -1.053 -11.845 -7.108 437 HA SER 59 HA SER 59 -3.770 -12.537 -7.987 438 HB2 SER 59 HB2 SER 59 -2.622 -14.932 -7.307 439 HB3 SER 59 HB1 SER 59 -2.656 -14.269 -8.938 440 HG SER 59 HG SER 59 -0.570 -13.741 -7.071 441 H LYS 60 HN LYS 60 -2.061 -11.533 -5.433 442 HA LYS 60 HA LYS 60 -3.880 -12.714 -3.464 443 HB2 LYS 60 HB2 LYS 60 -1.224 -11.365 -3.335 444 HB3 LYS 60 HB1 LYS 60 -2.359 -11.009 -2.061 445 HG2 LYS 60 HG2 LYS 60 -0.949 -12.739 -1.294 446 HG3 LYS 60 HG1 LYS 60 -2.535 -13.439 -1.596 447 HD2 LYS 60 HD2 LYS 60 -0.635 -13.541 -3.850 448 HD3 LYS 60 HD1 LYS 60 -0.218 -14.527 -2.447 449 HE2 LYS 60 HE2 LYS 60 -2.793 -14.608 -4.005 450 HE3 LYS 60 HE1 LYS 60 -1.515 -15.821 -4.027 451 HZ1 LYS 60 HZ1 LYS 60 -3.389 -15.162 -1.834 452 HZ2 LYS 60 HZ2 LYS 60 -1.947 -16.004 -1.537 453 HZ3 LYS 60 HZ3 LYS 60 -3.113 -16.663 -2.578 454 H SER 61 HN SER 61 -5.651 -11.521 -2.946 455 HA SER 61 HA SER 61 -5.799 -8.799 -3.857 456 HB2 SER 61 HB2 SER 61 -7.998 -8.844 -2.537 457 HB3 SER 61 HB1 SER 61 -7.876 -9.919 -3.929 458 HG SER 61 HG SER 61 -7.912 -10.523 -1.186 459 H GLY 62 HN GLY 62 -5.273 -7.057 -2.731 460 HA2 GLY 62 HA2 GLY 62 -3.762 -7.496 -0.320 461 HA3 GLY 62 HA1 GLY 62 -3.910 -5.986 -1.208 462 H ASP 63 HN ASP 63 -5.291 -8.026 1.234 463 HA ASP 63 HA ASP 63 -7.319 -6.124 2.008 464 HB2 ASP 63 HB2 ASP 63 -7.453 -8.622 2.401 465 HB3 ASP 63 HB1 ASP 63 -6.168 -8.452 3.591 466 H GLY 64 HN GLY 64 -4.585 -5.217 1.726 467 HA2 GLY 64 HA2 GLY 64 -4.062 -4.256 4.462 468 HA3 GLY 64 HA1 GLY 64 -2.746 -4.883 3.480 469 H CYS 65 HN CYS 65 -5.339 -3.151 2.022 470 HA CYS 65 HA CYS 65 -3.578 -0.823 1.600 471 HB2 CYS 65 HB2 CYS 65 -6.141 -1.585 0.171 472 HB3 CYS 65 HB1 CYS 65 -5.023 -0.302 -0.277 473 HG CYS 65 HG CYS 65 -3.681 -1.725 -1.887 474 H VAL 66 HN VAL 66 -4.710 1.265 1.630 475 HA VAL 66 HA VAL 66 -7.050 1.281 3.419 476 HB VAL 66 HB VAL 66 -5.361 2.540 4.499 477 HG11 VAL 66 HG11 VAL 66 -4.811 3.873 1.858 478 HG12 VAL 66 HG12 VAL 66 -3.799 2.651 2.641 479 HG13 VAL 66 HG13 VAL 66 -4.005 4.243 3.386 480 HG21 VAL 66 HG21 VAL 66 -6.766 4.695 2.980 481 HG22 VAL 66 HG22 VAL 66 -6.224 4.711 4.672 482 HG23 VAL 66 HG23 VAL 66 -7.588 3.698 4.181 483 H ASP 67 HN ASP 67 -8.734 2.700 2.783 484 HA ASP 67 HA ASP 67 -8.853 2.938 -0.137 485 HB2 ASP 67 HB2 ASP 67 -10.599 1.708 1.351 486 HB3 ASP 67 HB1 ASP 67 -11.205 3.326 1.666 487 H ASP 68 HN ASP 68 -10.995 4.956 -0.108 488 HA ASP 68 HA ASP 68 -9.331 7.309 0.207 489 HB2 ASP 68 HB2 ASP 68 -12.271 7.162 -0.466 490 HB3 ASP 68 HB1 ASP 68 -11.303 8.621 -0.470 491 H CYS 69 HN CYS 69 -9.567 6.018 2.550 492 HA CYS 69 HA CYS 69 -10.092 8.058 4.373 493 HB2 CYS 69 HB2 CYS 69 -12.455 7.510 3.958 494 HB3 CYS 69 HB1 CYS 69 -12.118 5.813 4.238 495 HG CYS 69 HG CYS 69 -11.517 8.022 6.748 496 H GLY 70 HN GLY 70 -9.139 7.327 6.411 497 HA2 GLY 70 HA2 GLY 70 -7.354 5.122 6.050 498 HA3 GLY 70 HA1 GLY 70 -7.558 6.051 7.528 499 H SER 71 HN SER 71 -9.242 3.736 5.541 500 HA SER 71 HA SER 71 -9.543 1.932 7.811 501 HB2 SER 71 HB2 SER 71 -11.761 2.918 7.537 502 HB3 SER 71 HB1 SER 71 -11.696 2.673 5.794 503 HG SER 71 HG SER 71 -11.723 0.633 7.783 504 H MET 72 HN MET 72 -9.199 -0.240 7.128 505 HA MET 72 HA MET 72 -7.565 -0.332 4.786 506 HB2 MET 72 HB2 MET 72 -8.446 -2.672 6.460 507 HB3 MET 72 HB1 MET 72 -7.084 -2.589 5.350 508 HG2 MET 72 HG2 MET 72 -5.909 -1.085 6.766 509 HG3 MET 72 HG1 MET 72 -7.311 -0.890 7.814 510 HE1 MET 72 HE1 MET 72 -4.893 -4.808 7.481 511 HE2 MET 72 HE2 MET 72 -4.468 -3.330 6.616 512 HE3 MET 72 HE3 MET 72 -5.943 -4.202 6.201 513 H THR 73 HN THR 73 -7.927 -1.146 2.871 514 HA THR 73 HA THR 73 -10.576 -2.264 2.300 515 HB THR 73 HB THR 73 -10.336 0.124 1.567 516 HG1 THR 73 HG1 THR 73 -11.148 -0.309 -0.564 517 HG21 THR 73 HG21 THR 73 -8.939 0.738 -0.230 518 HG22 THR 73 HG22 THR 73 -8.480 -0.940 -0.565 519 HG23 THR 73 HG23 THR 73 -7.902 -0.134 0.904 520 H SER 74 HN SER 74 -10.630 -3.768 0.544 521 HA SER 74 HA SER 74 -8.112 -5.177 0.275 522 HB2 SER 74 HB2 SER 74 -10.399 -6.256 0.824 523 HB3 SER 74 HB1 SER 74 -10.678 -6.082 -0.897 524 HG SER 74 HG SER 74 -9.420 -8.027 0.278 525 H CYS 75 HN CYS 75 -6.880 -4.770 -1.349 526 HA CYS 75 HA CYS 75 -7.959 -4.278 -4.014 527 HB2 CYS 75 HB2 CYS 75 -6.083 -2.381 -2.611 528 HB3 CYS 75 HB1 CYS 75 -6.570 -2.255 -4.285 529 HG CYS 75 HG CYS 75 -9.283 -2.400 -2.494 530 H ARG 76 HN ARG 76 -6.670 -5.133 -5.616 531 HA ARG 76 HA ARG 76 -5.062 -7.262 -4.790 532 HB2 ARG 76 HB2 ARG 76 -5.643 -6.087 -7.457 533 HB3 ARG 76 HB1 ARG 76 -4.410 -7.322 -7.292 534 HG2 ARG 76 HG2 ARG 76 -6.265 -8.589 -7.726 535 HG3 ARG 76 HG1 ARG 76 -6.218 -8.594 -5.973 536 HD2 ARG 76 HD2 ARG 76 -8.272 -7.822 -5.984 537 HD3 ARG 76 HD1 ARG 76 -7.615 -6.319 -6.621 538 HE ARG 76 HE ARG 76 -8.011 -8.035 -8.784 539 HH11 ARG 76 HH11 ARG 76 -9.916 -6.299 -6.403 540 HH12 ARG 76 HH12 ARG 76 -11.323 -6.191 -7.420 541 HH21 ARG 76 HH21 ARG 76 -9.871 -7.874 -10.132 542 HH22 ARG 76 HH22 ARG 76 -11.299 -7.078 -9.526 543 H GLY 77 HN GLY 77 -3.177 -7.382 -4.085 544 HA2 GLY 77 HA2 GLY 77 -0.791 -6.915 -5.047 545 HA3 GLY 77 HA1 GLY 77 -1.193 -5.283 -4.524 546 H SER 78 HN SER 78 0.232 -8.126 -3.521 547 HA SER 78 HA SER 78 0.548 -7.086 -0.897 548 HB2 SER 78 HB2 SER 78 -1.617 -9.018 -1.372 549 HB3 SER 78 HB1 SER 78 -0.497 -9.504 -0.098 550 HG SER 78 HG SER 78 -1.200 -7.943 1.150 551 H VAL 79 HN VAL 79 1.963 -8.156 0.394 552 HA VAL 79 HA VAL 79 4.012 -9.436 -1.067 553 HB VAL 79 HB VAL 79 3.715 -8.800 1.849 554 HG11 VAL 79 HG11 VAL 79 6.163 -9.806 0.413 555 HG12 VAL 79 HG12 VAL 79 5.224 -10.702 1.606 556 HG13 VAL 79 HG13 VAL 79 6.102 -9.251 2.085 557 HG21 VAL 79 HG21 VAL 79 5.331 -7.030 1.350 558 HG22 VAL 79 HG22 VAL 79 3.865 -6.869 0.385 559 HG23 VAL 79 HG23 VAL 79 5.335 -7.519 -0.344 560 H SER 80 HN SER 80 3.453 -11.436 -1.772 561 HA SER 80 HA SER 80 2.128 -13.368 -0.144 562 HB2 SER 80 HB2 SER 80 1.837 -13.387 -2.534 563 HB3 SER 80 HB1 SER 80 3.563 -13.622 -2.786 564 HG SER 80 HG SER 80 2.482 -15.588 -2.970 565 H GLY 81 HN GLY 81 5.394 -13.281 -1.563 566 HA2 GLY 81 HA2 GLY 81 6.351 -14.893 0.710 567 HA3 GLY 81 HA1 GLY 81 7.192 -14.724 -0.830 568 HA PRO 82 HA PRO 82 8.798 -11.916 2.774 569 HB2 PRO 82 HB2 PRO 82 11.367 -12.560 1.978 570 HB3 PRO 82 HB1 PRO 82 10.530 -13.174 3.396 571 HG2 PRO 82 HG2 PRO 82 10.801 -14.404 0.683 572 HG3 PRO 82 HG1 PRO 82 10.841 -15.181 2.278 573 HD2 PRO 82 HD2 PRO 82 8.680 -15.374 0.784 574 HD3 PRO 82 HD1 PRO 82 8.505 -15.017 2.520 575 H SER 83 HN SER 83 8.733 -9.870 2.164 576 HA SER 83 HA SER 83 9.587 -9.043 -0.468 577 HB2 SER 83 HB2 SER 83 7.614 -7.999 0.583 578 HB3 SER 83 HB1 SER 83 8.628 -7.410 1.901 579 HG SER 83 HG SER 83 9.026 -6.750 -0.831 580 H THR 84 HN THR 84 11.502 -8.220 -0.985 581 HA THR 84 HA THR 84 13.414 -7.736 1.211 582 HB THR 84 HB THR 84 14.356 -7.958 -1.595 583 HG1 THR 84 HG1 THR 84 12.817 -9.868 -0.439 584 HG21 THR 84 HG21 THR 84 15.949 -7.581 0.188 585 HG22 THR 84 HG22 THR 84 16.179 -9.213 -0.446 586 HG23 THR 84 HG23 THR 84 15.328 -8.967 1.083 587 H SER 85 HN SER 85 12.461 -6.598 -2.009 588 HA SER 85 HA SER 85 13.794 -4.077 -1.703 589 HB2 SER 85 HB2 SER 85 11.684 -4.856 -3.751 590 HB3 SER 85 HB1 SER 85 12.897 -3.578 -3.892 591 HG SER 85 HG SER 85 13.098 -6.222 -4.452 592 H HIS 86 HN HIS 86 12.868 -3.197 0.221 593 HA HIS 86 HA HIS 86 10.295 -1.978 -0.083 594 HB2 HIS 86 HB2 HIS 86 9.082 -3.130 1.581 595 HB3 HIS 86 HB1 HIS 86 9.772 -4.372 0.547 596 HD1 HIS 86 HD1 HIS 86 12.262 -5.238 1.620 597 HD2 HIS 86 HD2 HIS 86 9.369 -3.732 4.192 598 HE1 HIS 86 HE1 HIS 86 12.860 -6.119 3.893 599 HE2 HIS 86 HE2 HIS 86 11.186 -5.076 5.463 600 H LEU 87 HN LEU 87 9.750 -0.527 1.551 601 HA LEU 87 HA LEU 87 11.840 0.028 3.555 602 HB2 LEU 87 HB2 LEU 87 10.213 2.016 1.963 603 HB3 LEU 87 HB1 LEU 87 11.199 2.450 3.347 604 HG LEU 87 HG LEU 87 13.107 1.300 1.911 605 HD11 LEU 87 HD11 LEU 87 11.142 2.196 -0.182 606 HD12 LEU 87 HD12 LEU 87 11.647 0.535 0.133 607 HD13 LEU 87 HD13 LEU 87 12.814 1.711 -0.472 608 HD21 LEU 87 HD21 LEU 87 12.040 4.052 1.313 609 HD22 LEU 87 HD22 LEU 87 13.683 3.483 1.018 610 HD23 LEU 87 HD23 LEU 87 13.082 3.627 2.669 611 H THR 88 HN THR 88 11.006 -0.423 5.510 612 HA THR 88 HA THR 88 8.197 -0.339 6.034 613 HB THR 88 HB THR 88 10.334 -0.310 8.148 614 HG1 THR 88 HG1 THR 88 10.965 -2.114 7.168 615 HG21 THR 88 HG21 THR 88 7.565 -1.486 8.084 616 HG22 THR 88 HG22 THR 88 8.043 -0.002 8.922 617 HG23 THR 88 HG23 THR 88 8.691 -1.565 9.439 618 H ARG 89 HN ARG 89 7.535 1.760 5.486 619 HA ARG 89 HA ARG 89 8.233 3.738 7.569 620 HB2 ARG 89 HB2 ARG 89 7.154 4.332 4.808 621 HB3 ARG 89 HB1 ARG 89 7.763 5.488 5.982 622 HG2 ARG 89 HG2 ARG 89 9.574 3.363 4.955 623 HG3 ARG 89 HG1 ARG 89 9.217 4.769 3.951 624 HD2 ARG 89 HD2 ARG 89 9.933 6.221 5.822 625 HD3 ARG 89 HD1 ARG 89 10.391 4.774 6.713 626 HE ARG 89 HE ARG 89 11.908 4.380 4.667 627 HH11 ARG 89 HH11 ARG 89 11.159 7.462 6.142 628 HH12 ARG 89 HH12 ARG 89 12.616 8.235 5.597 629 HH21 ARG 89 HH21 ARG 89 13.842 5.385 3.941 630 HH22 ARG 89 HH22 ARG 89 14.130 7.061 4.315 631 HA PRO 90 HA PRO 90 3.761 2.438 7.661 632 HB2 PRO 90 HB2 PRO 90 4.069 1.818 10.452 633 HB3 PRO 90 HB1 PRO 90 3.620 0.742 9.147 634 HG2 PRO 90 HG2 PRO 90 6.003 0.589 10.484 635 HG3 PRO 90 HG1 PRO 90 5.739 0.020 8.831 636 HD2 PRO 90 HD2 PRO 90 7.068 2.495 9.780 637 HD3 PRO 90 HD1 PRO 90 7.423 1.487 8.385 638 H SER 91 HN SER 91 5.732 4.278 9.864 639 HA SER 91 HA SER 91 3.759 5.945 10.985 640 HB2 SER 91 HB2 SER 91 6.563 6.804 10.262 641 HB3 SER 91 HB1 SER 91 5.585 7.319 11.641 642 HG SER 91 HG SER 91 5.999 5.462 12.671 643 H GLU 92 HN GLU 92 5.670 6.082 8.051 644 HA GLU 92 HA GLU 92 4.859 8.744 7.384 645 HB2 GLU 92 HB2 GLU 92 6.697 6.698 6.292 646 HB3 GLU 92 HB1 GLU 92 6.126 7.933 5.179 647 HG2 GLU 92 HG2 GLU 92 8.274 8.508 6.210 648 HG3 GLU 92 HG1 GLU 92 7.011 9.672 6.607 649 H LEU 93 HN LEU 93 4.078 5.486 6.153 650 HA LEU 93 HA LEU 93 2.399 6.359 4.062 651 HB2 LEU 93 HB2 LEU 93 2.561 3.843 5.656 652 HB3 LEU 93 HB1 LEU 93 1.160 4.107 4.649 653 HG LEU 93 HG LEU 93 2.624 2.759 3.395 654 HD11 LEU 93 HD11 LEU 93 1.614 4.502 2.085 655 HD12 LEU 93 HD12 LEU 93 3.242 4.185 1.488 656 HD13 LEU 93 HD13 LEU 93 2.927 5.611 2.479 657 HD21 LEU 93 HD21 LEU 93 4.958 3.332 2.927 658 HD22 LEU 93 HD22 LEU 93 4.673 3.088 4.650 659 HD23 LEU 93 HD23 LEU 93 4.830 4.721 4.005 660 H GLN 94 HN GLN 94 1.665 5.582 7.452 661 HA GLN 94 HA GLN 94 -1.147 6.005 7.132 662 HB2 GLN 94 HB2 GLN 94 0.518 4.907 9.091 663 HB3 GLN 94 HB1 GLN 94 -0.194 6.315 9.859 664 HG2 GLN 94 HG2 GLN 94 -1.749 4.151 8.466 665 HG3 GLN 94 HG1 GLN 94 -1.481 4.235 10.206 666 HE21 GLN 94 HE21 GLN 94 -3.891 4.399 8.401 667 HE22 GLN 94 HE22 GLN 94 -4.743 5.802 8.944 668 H ALA 95 HN ALA 95 1.556 7.994 7.582 669 HA ALA 95 HA ALA 95 0.362 10.271 8.735 670 HB1 ALA 95 HB1 ALA 95 2.612 10.280 6.764 671 HB2 ALA 95 HB2 ALA 95 2.817 9.796 8.453 672 HB3 ALA 95 HB3 ALA 95 2.284 11.436 8.054 673 H VAL 96 HN VAL 96 0.938 9.360 5.335 674 HA VAL 96 HA VAL 96 -0.361 11.704 4.384 675 HB VAL 96 HB VAL 96 0.691 11.216 2.487 676 HG11 VAL 96 HG11 VAL 96 1.231 8.447 3.525 677 HG12 VAL 96 HG12 VAL 96 2.229 9.869 3.828 678 HG13 VAL 96 HG13 VAL 96 2.057 9.246 2.177 679 HG21 VAL 96 HG21 VAL 96 -1.451 10.326 1.749 680 HG22 VAL 96 HG22 VAL 96 -1.003 8.729 2.372 681 HG23 VAL 96 HG23 VAL 96 -0.109 9.428 1.019 682 H ILE 97 HN ILE 97 -1.299 8.411 5.138 683 HA ILE 97 HA ILE 97 -3.893 8.495 4.120 684 HB ILE 97 HB ILE 97 -2.721 7.233 6.576 685 HG12 ILE 97 HG12 ILE 97 -4.055 5.757 4.370 686 HG13 ILE 97 HG11 ILE 97 -2.497 6.507 4.032 687 HG21 ILE 97 HG21 ILE 97 -4.812 6.073 6.959 688 HG22 ILE 97 HG22 ILE 97 -5.574 6.984 5.652 689 HG23 ILE 97 HG23 ILE 97 -5.031 7.817 7.109 690 HD11 ILE 97 HD11 ILE 97 -3.022 4.593 6.291 691 HD12 ILE 97 HD12 ILE 97 -1.460 5.246 5.789 692 HD13 ILE 97 HD13 ILE 97 -2.341 4.147 4.728 693 H ASP 98 HN ASP 98 -2.792 9.313 7.391 694 HA ASP 98 HA ASP 98 -5.038 10.641 8.279 695 HB2 ASP 98 HB2 ASP 98 -3.240 10.100 9.777 696 HB3 ASP 98 HB1 ASP 98 -2.126 11.153 8.906 697 H SER 99 HN SER 99 -2.353 11.960 6.363 698 HA SER 99 HA SER 99 -3.367 14.661 6.554 699 HB2 SER 99 HB2 SER 99 -1.132 13.570 4.845 700 HB3 SER 99 HB1 SER 99 -1.454 15.265 5.223 701 HG SER 99 HG SER 99 -0.699 13.209 7.035 702 H ASP 100 HN ASP 100 -2.795 12.450 3.774 703 HA ASP 100 HA ASP 100 -4.129 14.076 1.911 704 HB2 ASP 100 HB2 ASP 100 -3.195 11.287 1.929 705 HB3 ASP 100 HB1 ASP 100 -4.063 11.909 0.607 706 H LYS 101 HN LYS 101 -5.417 12.034 4.326 707 HA LYS 101 HA LYS 101 -7.875 11.302 3.279 708 HB2 LYS 101 HB2 LYS 101 -6.747 11.822 5.875 709 HB3 LYS 101 HB1 LYS 101 -8.415 12.395 5.802 710 HG2 LYS 101 HG2 LYS 101 -9.243 10.320 5.773 711 HG3 LYS 101 HG1 LYS 101 -7.982 9.716 4.706 712 HD2 LYS 101 HD2 LYS 101 -7.750 8.596 6.795 713 HD3 LYS 101 HD1 LYS 101 -6.441 9.749 6.664 714 HE2 LYS 101 HE2 LYS 101 -8.981 10.210 8.216 715 HE3 LYS 101 HE1 LYS 101 -7.470 9.640 8.915 716 HZ1 LYS 101 HZ1 LYS 101 -7.920 12.278 7.615 717 HZ2 LYS 101 HZ2 LYS 101 -6.433 11.733 8.198 718 HZ3 LYS 101 HZ3 LYS 101 -7.713 11.992 9.272 719 H SER 102 HN SER 102 -6.635 14.496 3.980 720 HA SER 102 HA SER 102 -9.082 15.924 3.802 721 HB2 SER 102 HB2 SER 102 -6.948 16.876 4.690 722 HB3 SER 102 HB1 SER 102 -6.299 16.862 3.051 723 HG SER 102 HG SER 102 -7.463 18.559 2.555 724 H ASN 103 HN ASN 103 -7.028 14.394 1.521 725 HA ASN 103 HA ASN 103 -8.235 15.705 -0.783 726 HB2 ASN 103 HB2 ASN 103 -5.713 14.917 -0.481 727 HB3 ASN 103 HB1 ASN 103 -6.382 13.380 -1.015 728 HD21 ASN 103 HD21 ASN 103 -7.307 13.223 -3.091 729 HD22 ASN 103 HD22 ASN 103 -6.885 14.341 -4.340 730 H TYR 104 HN TYR 104 -8.290 12.712 1.003 731 HA TYR 104 HA TYR 104 -10.679 11.879 -0.448 732 HB2 TYR 104 HB2 TYR 104 -8.945 9.598 0.117 733 HB3 TYR 104 HB1 TYR 104 -9.853 9.956 -1.344 734 HD1 TYR 104 HD2 TYR 104 -6.710 10.913 0.460 735 HD2 TYR 104 HD1 TYR 104 -8.696 10.518 -3.286 736 HE1 TYR 104 HE2 TYR 104 -4.603 11.416 -0.701 737 HE2 TYR 104 HE1 TYR 104 -6.623 11.024 -4.462 738 HH TYR 104 HH TYR 104 -4.509 11.947 -4.159 739 H CYS 105 HN CYS 105 -12.051 11.703 1.172 740 HA CYS 105 HA CYS 105 -11.675 9.641 3.043 741 HB2 CYS 105 HB2 CYS 105 -10.546 11.120 4.434 742 HB3 CYS 105 HB1 CYS 105 -11.575 12.486 4.006 743 HG CYS 105 HG CYS 105 -13.603 11.917 5.683 744 H THR 106 HN THR 106 -13.503 8.677 3.390 745 HA THR 106 HA THR 106 -15.778 9.462 1.905 746 HB THR 106 HB THR 106 -16.774 7.399 3.004 747 HG1 THR 106 HG1 THR 106 -15.699 6.960 4.807 748 HG21 THR 106 HG21 THR 106 -15.705 7.315 0.823 749 HG22 THR 106 HG22 THR 106 -15.366 5.856 1.758 750 HG23 THR 106 HG23 THR 106 -14.131 7.105 1.595 751 H ASP 107 HN ASP 107 -17.615 10.472 2.513 752 HA ASP 107 HA ASP 107 -17.991 11.357 5.237 753 HB2 ASP 107 HB2 ASP 107 -20.059 12.381 4.448 754 HB3 ASP 107 HB1 ASP 107 -18.749 12.762 3.339 755 H LYS 108 HN LYS 108 -19.321 8.920 3.089 756 HA LYS 108 HA LYS 108 -20.064 7.438 5.521 757 HB2 LYS 108 HB2 LYS 108 -21.823 6.348 4.421 758 HB3 LYS 108 HB1 LYS 108 -21.952 7.973 3.775 759 HG2 LYS 108 HG2 LYS 108 -22.176 6.759 1.857 760 HG3 LYS 108 HG1 LYS 108 -20.426 6.979 1.868 761 HD2 LYS 108 HD2 LYS 108 -20.598 4.704 1.444 762 HD3 LYS 108 HD1 LYS 108 -20.434 4.728 3.199 763 HE2 LYS 108 HE2 LYS 108 -22.190 3.210 2.650 764 HE3 LYS 108 HE1 LYS 108 -22.923 4.647 3.363 765 HZ1 LYS 108 HZ1 LYS 108 -23.641 5.390 1.259 766 HZ2 LYS 108 HZ2 LYS 108 -24.031 3.738 1.313 767 HZ3 LYS 108 HZ3 LYS 108 -22.675 4.264 0.436 768 H SER 109 HN SER 109 -18.903 5.558 5.802 769 HA SER 109 HA SER 109 -16.598 5.215 4.171 770 HB2 SER 109 HB2 SER 109 -17.675 3.256 6.195 771 HB3 SER 109 HB1 SER 109 -16.014 3.424 5.621 772 HG SER 109 HG SER 109 -17.156 4.655 7.666 773 H GLU 110 HN GLU 110 -17.582 4.973 2.102 774 HA GLU 110 HA GLU 110 -19.158 2.699 1.449 775 HB2 GLU 110 HB2 GLU 110 -18.877 4.950 0.175 776 HB3 GLU 110 HB1 GLU 110 -17.454 4.195 -0.527 777 HG2 GLU 110 HG2 GLU 110 -19.255 3.901 -2.044 778 HG3 GLU 110 HG1 GLU 110 -18.912 2.334 -1.308 779 H GLN 111 HN GLN 111 -15.967 3.531 0.145 780 HA GLN 111 HA GLN 111 -14.136 2.310 -0.432 781 HB2 GLN 111 HB2 GLN 111 -13.032 1.225 1.453 782 HB3 GLN 111 HB1 GLN 111 -13.748 2.756 1.932 783 HG2 GLN 111 HG2 GLN 111 -15.608 1.593 2.970 784 HG3 GLN 111 HG1 GLN 111 -14.945 0.045 2.452 785 HE21 GLN 111 HE21 GLN 111 -12.193 0.883 2.993 786 HE22 GLN 111 HE22 GLN 111 -12.022 0.836 4.712 787 H GLN 112 HN GLN 112 -13.204 -0.243 0.345 788 HA GLN 112 HA GLN 112 -15.291 -2.055 -0.636 789 HB2 GLN 112 HB2 GLN 112 -13.814 -1.445 -2.518 790 HB3 GLN 112 HB1 GLN 112 -12.432 -2.046 -1.615 791 HG2 GLN 112 HG2 GLN 112 -13.425 -4.289 -1.611 792 HG3 GLN 112 HG1 GLN 112 -14.782 -3.676 -2.554 793 HE21 GLN 112 HE21 GLN 112 -12.793 -5.741 -3.165 794 HE22 GLN 112 HE22 GLN 112 -12.066 -5.263 -4.658 795 HA PRO 113 HA PRO 113 -13.216 -4.161 2.868 796 HB2 PRO 113 HB2 PRO 113 -15.189 -4.005 4.697 797 HB3 PRO 113 HB1 PRO 113 -14.000 -2.717 4.491 798 HG2 PRO 113 HG2 PRO 113 -16.846 -2.790 3.723 799 HG3 PRO 113 HG1 PRO 113 -15.806 -1.399 4.064 800 HD2 PRO 113 HD2 PRO 113 -16.558 -2.447 1.512 801 HD3 PRO 113 HD1 PRO 113 -15.470 -1.088 1.851 802 H SER 114 HN SER 114 -16.196 -4.280 1.203 803 HA SER 114 HA SER 114 -16.187 -7.047 0.808 804 HB2 SER 114 HB2 SER 114 -16.913 -7.101 3.206 805 HB3 SER 114 HB1 SER 114 -18.322 -6.136 2.767 806 HG SER 114 HG SER 114 -18.598 -7.983 1.141 807 H GLN 115 HN GLN 115 -18.162 -4.132 1.120 808 HA GLN 115 HA GLN 115 -19.712 -3.161 -0.218 809 HB2 GLN 115 HB2 GLN 115 -17.583 -3.148 -1.642 810 HB3 GLN 115 HB1 GLN 115 -18.291 -4.492 -2.523 811 HG2 GLN 115 HG2 GLN 115 -20.149 -3.127 -3.212 812 HG3 GLN 115 HG1 GLN 115 -19.575 -1.788 -2.218 813 HE21 GLN 115 HE21 GLN 115 -19.082 -3.619 -5.125 814 HE22 GLN 115 HE22 GLN 115 -17.973 -2.517 -5.870 815 H ALA 116 HN ALA 116 -20.860 -5.122 0.930 816 HA ALA 116 HA ALA 116 -22.593 -6.323 -1.082 817 HB1 ALA 116 HB1 ALA 116 -20.855 -8.012 -0.713 818 HB2 ALA 116 HB2 ALA 116 -22.416 -8.555 -0.093 819 HB3 ALA 116 HB3 ALA 116 -21.179 -7.970 1.020 820 H THR 117 HN THR 117 -24.120 -7.903 0.524 821 HA THR 117 HA THR 117 -25.734 -7.953 2.128 822 HB THR 117 HB THR 117 -24.501 -5.459 3.314 823 HG1 THR 117 HG1 THR 117 -22.968 -7.061 3.445 824 HG21 THR 117 HG21 THR 117 -25.671 -6.153 5.356 825 HG22 THR 117 HG22 THR 117 -26.376 -7.516 4.488 826 HG23 THR 117 HG23 THR 117 -26.806 -5.867 4.034 827 HA PRO 118 HA PRO 118 -28.546 -5.228 -0.053 828 HB2 PRO 118 HB2 PRO 118 -30.595 -6.667 1.476 829 HB3 PRO 118 HB1 PRO 118 -30.358 -6.580 -0.273 830 HG2 PRO 118 HG2 PRO 118 -29.870 -8.833 1.125 831 HG3 PRO 118 HG1 PRO 118 -28.923 -8.379 -0.304 832 HD2 PRO 118 HD2 PRO 118 -28.230 -8.099 2.595 833 HD3 PRO 118 HD1 PRO 118 -27.206 -8.608 1.234 834 HA PRO 119 HA PRO 119 -28.929 -2.340 3.381 835 HB2 PRO 119 HB2 PRO 119 -30.241 -0.689 1.314 836 HB3 PRO 119 HB1 PRO 119 -28.828 -0.328 2.308 837 HG2 PRO 119 HG2 PRO 119 -28.591 -0.860 -0.304 838 HG3 PRO 119 HG1 PRO 119 -27.375 -1.405 0.867 839 HD2 PRO 119 HD2 PRO 119 -29.581 -2.958 -0.434 840 HD3 PRO 119 HD1 PRO 119 -27.901 -3.440 -0.119 841 HA PRO 120 HA PRO 120 -33.184 -3.465 4.290 842 HB2 PRO 120 HB2 PRO 120 -32.694 -1.990 6.786 843 HB3 PRO 120 HB1 PRO 120 -33.095 -3.694 6.552 844 HG2 PRO 120 HG2 PRO 120 -30.648 -2.909 7.349 845 HG3 PRO 120 HG1 PRO 120 -30.891 -4.318 6.301 846 HD2 PRO 120 HD2 PRO 120 -30.015 -1.548 5.576 847 HD3 PRO 120 HD1 PRO 120 -29.411 -3.112 4.988 848 H GLU 121 HN GLU 121 -34.142 -2.070 2.778 849 HA GLU 121 HA GLU 121 -34.202 0.767 3.187 850 HB2 GLU 121 HB2 GLU 121 -34.245 -0.477 0.959 851 HB3 GLU 121 HB1 GLU 121 -35.932 -0.829 1.301 852 HG2 GLU 121 HG2 GLU 121 -35.849 1.054 -0.139 853 HG3 GLU 121 HG1 GLU 121 -36.348 1.615 1.458 854 H ILE 122 HN ILE 122 -36.776 -1.700 3.039 855 HA ILE 122 HA ILE 122 -38.917 -1.722 3.796 856 HB ILE 122 HB ILE 122 -37.859 -0.014 6.064 857 HG12 ILE 122 HG12 ILE 122 -38.044 -3.029 5.828 858 HG13 ILE 122 HG11 ILE 122 -36.555 -2.090 5.764 859 HG21 ILE 122 HG21 ILE 122 -40.271 -1.828 5.898 860 HG22 ILE 122 HG22 ILE 122 -40.297 -0.065 5.945 861 HG23 ILE 122 HG23 ILE 122 -39.724 -0.977 7.342 862 HD11 ILE 122 HD11 ILE 122 -38.415 -2.281 8.121 863 HD12 ILE 122 HD12 ILE 122 -36.911 -1.362 8.059 864 HD13 ILE 122 HD13 ILE 122 -36.874 -3.121 7.942 865 HA PRO 123 HA PRO 123 -39.606 2.467 2.003 866 HB2 PRO 123 HB2 PRO 123 -41.147 1.187 -0.075 867 HB3 PRO 123 HB1 PRO 123 -39.609 2.038 -0.214 868 HG2 PRO 123 HG2 PRO 123 -39.905 -0.661 -0.587 869 HG3 PRO 123 HG1 PRO 123 -38.393 0.112 -0.085 870 HD2 PRO 123 HD2 PRO 123 -40.435 -1.314 1.577 871 HD3 PRO 123 HD1 PRO 123 -38.660 -1.354 1.688
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