NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
551864 | 2ly9 | 18714 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 1H SER 1 23.377 -7.925 5.781 2 H2 SER 1 2H SER 1 24.204 -7.381 4.408 3 H3 SER 1 3H SER 1 24.897 -8.555 5.406 4 HA SER 1 HA SER 1 22.405 -8.884 3.848 5 HB2 SER 1 2HB SER 1 25.205 -9.945 3.281 6 HB3 SER 1 3HB SER 1 23.758 -10.371 2.364 7 HG SER 1 HG SER 1 24.772 -8.720 1.285 8 H HIS 2 H HIS 2 21.139 -10.134 5.138 9 HA HIS 2 HA HIS 2 22.193 -12.726 6.123 10 HB2 HIS 2 2HB HIS 2 20.246 -10.913 7.626 11 HB3 HIS 2 3HB HIS 2 20.670 -12.551 8.112 12 HD1 HIS 2 HD1 HIS 2 21.587 -9.129 8.724 13 HD2 HIS 2 HD2 HIS 2 23.615 -12.756 8.685 14 HE1 HIS 2 HE1 HIS 2 23.706 -8.720 9.992 15 HE2 HIS 2 HE2 HIS 2 24.955 -10.898 9.896 16 H MET 3 H MET 3 19.272 -10.855 5.270 17 HA MET 3 HA MET 3 17.777 -13.295 4.542 18 HB2 MET 3 2HB MET 3 16.817 -10.398 4.607 19 HB3 MET 3 3HB MET 3 15.809 -11.832 4.424 20 HG2 MET 3 2HG MET 3 17.405 -11.100 6.892 21 HG3 MET 3 3HG MET 3 15.666 -10.880 6.681 22 HE1 MET 3 3HE MET 3 16.974 -12.463 9.181 23 HE2 MET 3 1HE MET 3 15.853 -13.820 9.285 24 HE3 MET 3 2HE MET 3 15.243 -12.196 8.965 25 HA PRO 4 HA PRO 4 19.281 -12.046 0.354 26 HB2 PRO 4 2HB PRO 4 19.343 -14.457 -0.826 27 HB3 PRO 4 3HB PRO 4 20.469 -14.070 0.487 28 HG2 PRO 4 2HG PRO 4 17.884 -15.637 0.613 29 HG3 PRO 4 3HG PRO 4 19.467 -16.039 1.316 30 HD2 PRO 4 2HD PRO 4 17.406 -14.830 2.733 31 HD3 PRO 4 3HD PRO 4 19.123 -14.675 3.163 32 H ASP 5 H ASP 5 16.161 -12.637 1.235 33 HA ASP 5 HA ASP 5 15.098 -12.377 -1.501 34 HB2 ASP 5 2HB ASP 5 14.939 -14.763 -1.060 35 HB3 ASP 5 3HB ASP 5 14.218 -14.471 0.524 36 H SER 6 H SER 6 13.433 -11.060 -1.724 37 HA SER 6 HA SER 6 11.464 -10.561 0.373 38 HB2 SER 6 2HB SER 6 12.960 -8.274 -0.989 39 HB3 SER 6 3HB SER 6 11.531 -8.074 0.013 40 HG SER 6 HG SER 6 13.062 -9.360 1.576 41 H PHE 7 H PHE 7 11.875 -11.782 -2.445 42 HA PHE 7 HA PHE 7 10.104 -10.108 -4.130 43 HB2 PHE 7 2HB PHE 7 12.174 -12.192 -4.965 44 HB3 PHE 7 3HB PHE 7 11.209 -11.208 -6.064 45 HD1 PHE 7 HD2 PHE 7 11.640 -8.757 -6.267 46 HD2 PHE 7 HD1 PHE 7 14.118 -11.244 -3.814 47 HE1 PHE 7 HE2 PHE 7 13.338 -6.980 -6.171 48 HE2 PHE 7 HE1 PHE 7 15.804 -9.453 -3.718 49 HZ PHE 7 HZ PHE 7 15.416 -7.322 -4.896 50 H GLY 8 H GLY 8 8.082 -10.862 -3.677 51 HA2 GLY 8 2HA GLY 8 7.426 -13.686 -3.474 52 HA3 GLY 8 3HA GLY 8 6.314 -12.334 -3.369 53 H ILE 9 H ILE 9 7.958 -14.537 -5.548 54 HA ILE 9 HA ILE 9 6.923 -13.705 -8.038 55 HB ILE 9 HB ILE 9 7.653 -16.532 -7.128 56 HG12 ILE 9 2HG1 ILE 9 9.365 -14.453 -8.578 57 HG13 ILE 9 3HG1 ILE 9 9.533 -14.910 -6.886 58 HG21 ILE 9 1HG2 ILE 9 6.273 -16.618 -9.170 59 HG22 ILE 9 2HG2 ILE 9 7.933 -17.091 -9.521 60 HG23 ILE 9 3HG2 ILE 9 7.364 -15.485 -9.977 61 HD11 ILE 9 3HD1 ILE 9 10.177 -17.181 -7.573 62 HD12 ILE 9 1HD1 ILE 9 11.242 -15.948 -8.247 63 HD13 ILE 9 2HD1 ILE 9 10.022 -16.705 -9.267 64 H ARG 10 H ARG 10 4.774 -13.346 -8.320 65 HA ARG 10 HA ARG 10 2.528 -13.561 -8.438 66 HB2 ARG 10 2HB ARG 10 3.182 -16.534 -8.458 67 HB3 ARG 10 3HB ARG 10 1.588 -15.873 -8.825 68 HG2 ARG 10 2HG ARG 10 2.576 -14.625 -10.745 69 HG3 ARG 10 3HG ARG 10 4.141 -15.370 -10.404 70 HD2 ARG 10 2HD ARG 10 3.275 -17.572 -10.921 71 HD3 ARG 10 3HD ARG 10 1.621 -16.957 -11.037 72 HE ARG 10 HE ARG 10 3.812 -16.394 -12.947 73 HH11 ARG 10 1HH1 ARG 10 0.411 -16.549 -12.286 74 HH12 ARG 10 2HH1 ARG 10 -0.024 -16.256 -13.931 75 HH21 ARG 10 1HH2 ARG 10 3.235 -16.010 -15.029 76 HH22 ARG 10 2HH2 ARG 10 1.564 -15.953 -15.469 77 H ALA 11 H ALA 11 3.849 -13.592 -5.716 78 HA ALA 11 HA ALA 11 2.189 -15.218 -3.990 79 HB1 ALA 11 3HB ALA 11 4.194 -13.060 -3.247 80 HB2 ALA 11 1HB ALA 11 4.548 -14.778 -3.427 81 HB3 ALA 11 2HB ALA 11 3.465 -14.232 -2.146 82 H LYS 12 H LYS 12 0.421 -14.633 -2.902 83 HA LYS 12 HA LYS 12 -0.958 -12.171 -3.567 84 HB2 LYS 12 2HB LYS 12 -1.770 -14.591 -1.886 85 HB3 LYS 12 3HB LYS 12 -2.820 -13.207 -2.148 86 HG2 LYS 12 2HG LYS 12 -3.528 -14.912 -3.656 87 HG3 LYS 12 3HG LYS 12 -2.723 -13.678 -4.626 88 HD2 LYS 12 2HD LYS 12 -0.682 -15.098 -4.713 89 HD3 LYS 12 3HD LYS 12 -1.500 -16.325 -3.741 90 HE2 LYS 12 2HE LYS 12 -2.404 -15.396 -6.490 91 HE3 LYS 12 3HE LYS 12 -1.485 -16.867 -6.169 92 HZ1 LYS 12 3HZ LYS 12 -3.823 -17.356 -6.391 93 HZ2 LYS 12 1HZ LYS 12 -4.214 -16.259 -5.168 94 HZ3 LYS 12 2HZ LYS 12 -3.335 -17.651 -4.800 95 H LYS 13 H LYS 13 -1.138 -10.384 -2.278 96 HA LYS 13 HA LYS 13 0.351 -10.072 0.127 97 HB2 LYS 13 2HB LYS 13 -1.818 -8.315 -1.113 98 HB3 LYS 13 3HB LYS 13 -0.945 -7.868 0.347 99 HG2 LYS 13 2HG LYS 13 0.221 -6.702 -1.296 100 HG3 LYS 13 3HG LYS 13 1.205 -8.143 -1.090 101 HD2 LYS 13 2HD LYS 13 1.112 -7.863 -3.426 102 HD3 LYS 13 3HD LYS 13 -0.099 -9.107 -3.115 103 HE2 LYS 13 2HE LYS 13 -1.893 -7.441 -3.290 104 HE3 LYS 13 3HE LYS 13 -0.711 -6.148 -3.507 105 HZ1 LYS 13 3HZ LYS 13 0.034 -7.321 -5.550 106 HZ2 LYS 13 1HZ LYS 13 -1.571 -6.776 -5.626 107 HZ3 LYS 13 2HZ LYS 13 -1.245 -8.413 -5.351 108 H THR 14 H THR 14 -0.166 -11.029 2.038 109 HA THR 14 HA THR 14 -2.653 -12.170 2.733 110 HB THR 14 HB THR 14 -1.798 -12.448 5.011 111 HG1 THR 14 HG1 THR 14 0.576 -11.335 5.006 112 HG21 THR 14 3HG2 THR 14 -0.793 -13.961 3.337 113 HG22 THR 14 1HG2 THR 14 0.370 -13.550 4.597 114 HG23 THR 14 2HG2 THR 14 0.479 -12.778 3.016 115 H LYS 15 H LYS 15 -4.034 -11.531 4.661 116 HA LYS 15 HA LYS 15 -5.258 -9.051 4.207 117 HB2 LYS 15 2HB LYS 15 -6.351 -11.063 5.218 118 HB3 LYS 15 3HB LYS 15 -5.470 -10.782 6.710 119 HG2 LYS 15 2HG LYS 15 -7.292 -8.627 5.627 120 HG3 LYS 15 3HG LYS 15 -7.989 -10.018 6.456 121 HD2 LYS 15 2HD LYS 15 -6.692 -9.494 8.480 122 HD3 LYS 15 3HD LYS 15 -5.914 -8.140 7.664 123 HE2 LYS 15 2HE LYS 15 -8.082 -6.993 7.464 124 HE3 LYS 15 3HE LYS 15 -8.893 -8.365 8.220 125 HZ1 LYS 15 3HZ LYS 15 -7.642 -7.948 10.240 126 HZ2 LYS 15 1HZ LYS 15 -8.510 -6.570 9.787 127 HZ3 LYS 15 2HZ LYS 15 -6.843 -6.648 9.514 128 H GLU 16 H GLU 16 -2.786 -9.935 6.594 129 HA GLU 16 HA GLU 16 -2.794 -7.509 8.089 130 HB2 GLU 16 2HB GLU 16 -0.531 -9.508 7.688 131 HB3 GLU 16 3HB GLU 16 -0.571 -8.252 8.925 132 HG2 GLU 16 2HG GLU 16 -2.457 -10.621 8.701 133 HG3 GLU 16 3HG GLU 16 -1.151 -10.430 9.867 134 H GLN 17 H GLN 17 -0.693 -8.605 5.391 135 HA GLN 17 HA GLN 17 0.934 -6.283 5.184 136 HB2 GLN 17 2HB GLN 17 0.199 -8.308 3.024 137 HB3 GLN 17 3HB GLN 17 1.532 -7.156 2.921 138 HG2 GLN 17 2HG GLN 17 2.633 -8.269 4.835 139 HG3 GLN 17 3HG GLN 17 1.294 -9.412 4.937 140 HE21 GLN 17 1HE2 GLN 17 4.150 -8.510 3.148 141 HE22 GLN 17 2HE2 GLN 17 4.210 -9.919 2.152 142 H LEU 18 H LEU 18 -2.050 -7.203 3.623 143 HA LEU 18 HA LEU 18 -2.303 -5.074 1.767 144 HB2 LEU 18 2HB LEU 18 -3.272 -7.450 1.709 145 HB3 LEU 18 3HB LEU 18 -4.478 -6.906 2.855 146 HG LEU 18 HG LEU 18 -4.194 -5.479 0.201 147 HD11 LEU 18 1HD1 LEU 18 -5.761 -8.056 0.572 148 HD12 LEU 18 2HD1 LEU 18 -4.300 -7.864 -0.398 149 HD13 LEU 18 3HD1 LEU 18 -5.777 -7.025 -0.864 150 HD21 LEU 18 3HD2 LEU 18 -5.712 -4.490 1.866 151 HD22 LEU 18 1HD2 LEU 18 -6.609 -6.007 1.971 152 HD23 LEU 18 2HD2 LEU 18 -6.612 -5.075 0.470 153 H ALA 19 H ALA 19 -3.412 -5.600 5.088 154 HA ALA 19 HA ALA 19 -5.124 -3.314 5.299 155 HB1 ALA 19 3HB ALA 19 -3.758 -4.892 7.501 156 HB2 ALA 19 1HB ALA 19 -5.336 -5.247 6.795 157 HB3 ALA 19 2HB ALA 19 -5.097 -3.759 7.712 158 H GLU 20 H GLU 20 -1.645 -3.807 5.934 159 HA GLU 20 HA GLU 20 -1.096 -1.259 7.076 160 HB2 GLU 20 2HB GLU 20 0.764 -2.999 5.404 161 HB3 GLU 20 3HB GLU 20 1.265 -1.661 6.433 162 HG2 GLU 20 2HG GLU 20 0.067 -4.302 7.330 163 HG3 GLU 20 3HG GLU 20 1.737 -3.775 7.520 164 H LEU 21 H LEU 21 -1.192 -2.403 3.726 165 HA LEU 21 HA LEU 21 -0.506 -0.014 2.376 166 HB2 LEU 21 2HB LEU 21 -2.365 -2.250 1.481 167 HB3 LEU 21 3HB LEU 21 -1.667 -1.037 0.421 168 HG LEU 21 HG LEU 21 -0.106 -3.175 1.939 169 HD11 LEU 21 1HD1 LEU 21 0.332 -4.177 -0.257 170 HD12 LEU 21 2HD1 LEU 21 -0.697 -2.969 -1.030 171 HD13 LEU 21 3HD1 LEU 21 -1.396 -4.137 0.094 172 HD21 LEU 21 3HD2 LEU 21 1.239 -1.149 1.707 173 HD22 LEU 21 1HD2 LEU 21 0.910 -1.096 -0.028 174 HD23 LEU 21 2HD2 LEU 21 1.858 -2.419 0.657 175 H LYS 22 H LYS 22 -3.648 -1.230 3.589 176 HA LYS 22 HA LYS 22 -5.318 0.824 2.627 177 HB2 LYS 22 2HB LYS 22 -5.610 -0.919 5.100 178 HB3 LYS 22 3HB LYS 22 -6.846 0.233 4.602 179 HG2 LYS 22 2HG LYS 22 -6.978 -0.985 2.395 180 HG3 LYS 22 3HG LYS 22 -5.897 -2.209 3.070 181 HD2 LYS 22 2HD LYS 22 -7.533 -2.774 4.790 182 HD3 LYS 22 3HD LYS 22 -8.584 -1.447 4.286 183 HE2 LYS 22 2HE LYS 22 -8.870 -2.576 2.069 184 HE3 LYS 22 3HE LYS 22 -7.906 -3.928 2.666 185 HZ1 LYS 22 3HZ LYS 22 -10.460 -2.997 3.851 186 HZ2 LYS 22 1HZ LYS 22 -9.560 -4.339 4.345 187 HZ3 LYS 22 2HZ LYS 22 -10.294 -4.328 2.823 188 H VAL 23 H VAL 23 -3.482 0.642 5.699 189 HA VAL 23 HA VAL 23 -4.294 3.041 6.902 190 HB VAL 23 HB VAL 23 -1.524 1.752 7.019 191 HG11 VAL 23 1HG1 VAL 23 -1.410 4.069 7.845 192 HG12 VAL 23 2HG1 VAL 23 -1.243 2.941 9.190 193 HG13 VAL 23 3HG1 VAL 23 -2.776 3.774 8.925 194 HG21 VAL 23 3HG2 VAL 23 -3.920 1.387 8.861 195 HG22 VAL 23 1HG2 VAL 23 -2.322 0.674 9.102 196 HG23 VAL 23 2HG2 VAL 23 -3.301 0.196 7.716 197 H SER 24 H SER 24 -1.739 2.465 4.504 198 HA SER 24 HA SER 24 -0.752 5.120 4.335 199 HB2 SER 24 2HB SER 24 0.563 3.204 3.541 200 HB3 SER 24 3HB SER 24 -0.616 2.895 2.268 201 HG SER 24 HG SER 24 -0.018 4.797 1.273 202 H TYR 25 H TYR 25 -3.398 3.471 2.590 203 HA TYR 25 HA TYR 25 -3.853 5.567 0.673 204 HB2 TYR 25 2HB TYR 25 -4.586 3.155 0.379 205 HB3 TYR 25 3HB TYR 25 -5.842 3.430 1.580 206 HD1 TYR 25 HD1 TYR 25 -4.647 4.519 -1.801 207 HD2 TYR 25 HD2 TYR 25 -7.950 4.443 0.913 208 HE1 TYR 25 HE1 TYR 25 -6.128 5.341 -3.583 209 HE2 TYR 25 HE2 TYR 25 -9.435 5.247 -0.882 210 HH TYR 25 HH TYR 25 -8.676 5.166 -4.076 211 H LEU 26 H LEU 26 -5.201 4.811 3.858 212 HA LEU 26 HA LEU 26 -7.316 6.707 3.891 213 HB2 LEU 26 2HB LEU 26 -5.843 5.405 6.209 214 HB3 LEU 26 3HB LEU 26 -7.346 6.305 6.362 215 HG LEU 26 HG LEU 26 -7.029 3.721 4.774 216 HD11 LEU 26 1HD1 LEU 26 -8.298 4.127 7.500 217 HD12 LEU 26 2HD1 LEU 26 -6.780 3.287 7.166 218 HD13 LEU 26 3HD1 LEU 26 -8.297 2.628 6.562 219 HD21 LEU 26 3HD2 LEU 26 -9.481 3.720 4.631 220 HD22 LEU 26 1HD2 LEU 26 -8.800 5.147 3.854 221 HD23 LEU 26 2HD2 LEU 26 -9.545 5.283 5.449 222 H LYS 27 H LYS 27 -3.912 6.919 4.967 223 HA LYS 27 HA LYS 27 -4.177 9.591 6.039 224 HB2 LYS 27 2HB LYS 27 -1.729 9.561 6.300 225 HB3 LYS 27 3HB LYS 27 -2.452 8.090 6.937 226 HG2 LYS 27 2HG LYS 27 -1.722 6.826 4.995 227 HG3 LYS 27 3HG LYS 27 -1.141 8.290 4.210 228 HD2 LYS 27 2HD LYS 27 0.780 7.132 5.066 229 HD3 LYS 27 3HD LYS 27 0.534 8.555 6.077 230 HE2 LYS 27 2HE LYS 27 -0.498 7.150 7.822 231 HE3 LYS 27 3HE LYS 27 -0.318 5.723 6.798 232 HZ1 LYS 27 3HZ LYS 27 1.442 5.781 8.389 233 HZ2 LYS 27 1HZ LYS 27 1.861 7.364 7.965 234 HZ3 LYS 27 2HZ LYS 27 2.108 6.104 6.869 235 H ASN 28 H ASN 28 -2.971 8.242 2.943 236 HA ASN 28 HA ASN 28 -3.762 10.623 1.532 237 HB2 ASN 28 2HB ASN 28 -1.509 11.041 0.445 238 HB3 ASN 28 3HB ASN 28 -1.611 11.501 2.137 239 HD21 ASN 28 1HD2 ASN 28 -0.404 10.352 3.658 240 HD22 ASN 28 2HD2 ASN 28 0.860 9.272 3.209 241 H GLN 29 H GLN 29 -4.522 10.076 -0.421 242 HA GLN 29 HA GLN 29 -4.681 7.291 -1.138 243 HB2 GLN 29 2HB GLN 29 -5.761 9.692 -2.670 244 HB3 GLN 29 3HB GLN 29 -6.292 8.022 -2.827 245 HG2 GLN 29 2HG GLN 29 -7.162 8.043 -0.545 246 HG3 GLN 29 3HG GLN 29 -6.549 9.675 -0.296 247 HE21 GLN 29 1HE2 GLN 29 -9.278 8.647 -0.071 248 HE22 GLN 29 2HE2 GLN 29 -10.235 9.612 -1.137 249 H PHE 30 H PHE 30 -2.569 9.797 -2.038 250 HA PHE 30 HA PHE 30 -1.385 8.176 -4.219 251 HB2 PHE 30 2HB PHE 30 -1.347 11.213 -3.884 252 HB3 PHE 30 3HB PHE 30 -0.452 10.325 -5.116 253 HD1 PHE 30 HD1 PHE 30 -3.844 11.357 -4.010 254 HD2 PHE 30 HD2 PHE 30 -1.580 9.431 -7.089 255 HE1 PHE 30 HE1 PHE 30 -5.791 11.440 -5.502 256 HE2 PHE 30 HE2 PHE 30 -3.539 9.524 -8.576 257 HZ PHE 30 HZ PHE 30 -5.646 10.526 -7.786 258 HA PRO 31 HA PRO 31 1.310 7.997 -0.469 259 HB2 PRO 31 2HB PRO 31 2.508 5.622 -1.826 260 HB3 PRO 31 3HB PRO 31 1.759 5.748 -0.229 261 HG2 PRO 31 2HG PRO 31 0.510 4.500 -2.249 262 HG3 PRO 31 3HG PRO 31 -0.396 5.468 -1.068 263 HD2 PRO 31 2HD PRO 31 0.473 6.222 -3.862 264 HD3 PRO 31 3HD PRO 31 -1.101 6.466 -3.070 265 H HIS 32 H HIS 32 3.199 8.975 -0.086 266 HA HIS 32 HA HIS 32 5.056 9.753 -2.137 267 HB2 HIS 32 2HB HIS 32 4.619 11.078 -0.037 268 HB3 HIS 32 3HB HIS 32 5.416 9.820 0.903 269 HD2 HIS 32 HD2 HIS 32 6.268 12.889 -1.296 270 HE1 HIS 32 HE1 HIS 32 9.901 11.097 -0.072 271 HE2 HIS 32 HE2 HIS 32 8.859 13.000 -1.369 272 H ASP 33 H ASP 33 7.267 9.034 -2.343 273 HA ASP 33 HA ASP 33 7.518 6.263 -2.581 274 HB2 ASP 33 2HB ASP 33 8.751 8.021 -3.903 275 HB3 ASP 33 3HB ASP 33 9.796 8.289 -2.515 276 H SER 34 H SER 34 8.807 8.414 -0.037 277 HA SER 34 HA SER 34 10.415 6.533 1.357 278 HB2 SER 34 2HB SER 34 9.021 9.022 2.419 279 HB3 SER 34 3HB SER 34 10.311 8.156 3.250 280 HG SER 34 HG SER 34 11.116 8.721 0.757 281 H GLU 35 H GLU 35 6.976 7.366 1.681 282 HA GLU 35 HA GLU 35 6.384 5.765 3.971 283 HB2 GLU 35 2HB GLU 35 4.910 7.610 3.233 284 HB3 GLU 35 3HB GLU 35 4.554 6.754 1.741 285 HG2 GLU 35 2HG GLU 35 2.681 6.582 3.288 286 HG3 GLU 35 3HG GLU 35 3.385 4.991 3.011 287 H ILE 36 H ILE 36 6.296 5.150 0.482 288 HA ILE 36 HA ILE 36 5.189 2.544 0.494 289 HB ILE 36 HB ILE 36 7.057 3.888 -1.507 290 HG12 ILE 36 2HG1 ILE 36 4.023 3.536 -1.603 291 HG13 ILE 36 3HG1 ILE 36 4.830 5.015 -1.095 292 HG21 ILE 36 1HG2 ILE 36 6.266 2.211 -3.167 293 HG22 ILE 36 2HG2 ILE 36 5.422 1.353 -1.877 294 HG23 ILE 36 3HG2 ILE 36 7.181 1.471 -1.854 295 HD11 ILE 36 3HD1 ILE 36 4.982 3.773 -3.841 296 HD12 ILE 36 1HD1 ILE 36 5.779 5.266 -3.334 297 HD13 ILE 36 2HD1 ILE 36 4.019 5.172 -3.370 298 H ILE 37 H ILE 37 8.608 3.634 0.626 299 HA ILE 37 HA ILE 37 9.836 1.079 0.724 300 HB ILE 37 HB ILE 37 10.816 3.687 1.978 301 HG12 ILE 37 2HG1 ILE 37 11.453 2.462 -0.752 302 HG13 ILE 37 3HG1 ILE 37 10.439 3.874 -0.479 303 HG21 ILE 37 1HG2 ILE 37 12.410 1.170 1.328 304 HG22 ILE 37 2HG2 ILE 37 12.000 1.742 2.946 305 HG23 ILE 37 3HG2 ILE 37 13.084 2.689 1.930 306 HD11 ILE 37 3HD1 ILE 37 13.404 3.662 0.044 307 HD12 ILE 37 1HD1 ILE 37 12.410 5.080 0.402 308 HD13 ILE 37 2HD1 ILE 37 12.613 4.538 -1.264 309 H ARG 38 H ARG 38 8.567 3.187 3.289 310 HA ARG 38 HA ARG 38 9.219 1.620 5.532 311 HB2 ARG 38 2HB ARG 38 8.562 3.871 5.908 312 HB3 ARG 38 3HB ARG 38 7.055 3.683 5.024 313 HG2 ARG 38 2HG ARG 38 5.981 2.590 6.802 314 HG3 ARG 38 3HG ARG 38 7.497 2.104 7.564 315 HD2 ARG 38 2HD ARG 38 6.298 3.906 8.799 316 HD3 ARG 38 3HD ARG 38 7.931 4.362 8.306 317 HE ARG 38 HE ARG 38 5.680 5.188 6.611 318 HH11 ARG 38 1HH1 ARG 38 8.101 6.115 8.910 319 HH12 ARG 38 2HH1 ARG 38 7.911 7.800 8.590 320 HH21 ARG 38 1HH2 ARG 38 5.442 7.360 6.244 321 HH22 ARG 38 2HH2 ARG 38 6.428 8.493 7.103 322 H LEU 39 H LEU 39 6.370 1.482 3.385 323 HA LEU 39 HA LEU 39 4.957 -0.581 4.718 324 HB2 LEU 39 2HB LEU 39 5.004 0.107 1.757 325 HB3 LEU 39 3HB LEU 39 3.823 -0.951 2.520 326 HG LEU 39 HG LEU 39 4.165 2.007 3.170 327 HD11 LEU 39 1HD1 LEU 39 2.010 0.693 1.493 328 HD12 LEU 39 2HD1 LEU 39 3.327 1.696 0.880 329 HD13 LEU 39 3HD1 LEU 39 2.105 2.399 1.935 330 HD21 LEU 39 3HD2 LEU 39 3.284 0.727 5.076 331 HD22 LEU 39 1HD2 LEU 39 2.008 0.053 4.055 332 HD23 LEU 39 2HD2 LEU 39 2.047 1.785 4.403 333 H MET 40 H MET 40 7.423 -0.714 2.115 334 HA MET 40 HA MET 40 7.587 -3.493 1.717 335 HB2 MET 40 2HB MET 40 9.789 -1.394 1.513 336 HB3 MET 40 3HB MET 40 9.931 -3.033 0.887 337 HG2 MET 40 2HG MET 40 8.235 -2.627 -0.763 338 HG3 MET 40 3HG MET 40 7.806 -1.084 -0.030 339 HE1 MET 40 3HE MET 40 11.482 -2.448 -0.626 340 HE2 MET 40 1HE MET 40 11.813 -1.792 -2.230 341 HE3 MET 40 2HE MET 40 10.586 -3.045 -2.025 342 H LYS 41 H LYS 41 9.063 -1.469 4.216 343 HA LYS 41 HA LYS 41 10.760 -3.436 5.408 344 HB2 LYS 41 2HB LYS 41 9.550 -0.903 6.598 345 HB3 LYS 41 3HB LYS 41 10.804 -1.864 7.379 346 HG2 LYS 41 2HG LYS 41 11.098 -0.461 4.703 347 HG3 LYS 41 3HG LYS 41 11.677 0.168 6.248 348 HD2 LYS 41 2HD LYS 41 13.193 -1.791 6.464 349 HD3 LYS 41 3HD LYS 41 12.617 -2.411 4.913 350 HE2 LYS 41 2HE LYS 41 13.543 -0.457 3.758 351 HE3 LYS 41 3HE LYS 41 14.032 0.254 5.299 352 HZ1 LYS 41 3HZ LYS 41 15.537 -1.587 5.642 353 HZ2 LYS 41 1HZ LYS 41 15.878 -0.812 4.178 354 HZ3 LYS 41 2HZ LYS 41 15.062 -2.292 4.180 355 H ILE 42 H ILE 42 7.506 -2.242 6.347 356 HA ILE 42 HA ILE 42 7.271 -3.896 8.675 357 HB ILE 42 HB ILE 42 5.088 -2.413 7.140 358 HG12 ILE 42 2HG1 ILE 42 6.831 -0.848 7.906 359 HG13 ILE 42 3HG1 ILE 42 5.365 -0.608 8.846 360 HG21 ILE 42 1HG2 ILE 42 5.011 -3.515 9.976 361 HG22 ILE 42 2HG2 ILE 42 4.086 -4.109 8.598 362 HG23 ILE 42 3HG2 ILE 42 3.764 -2.500 9.243 363 HD11 ILE 42 3HD1 ILE 42 7.856 -2.058 9.749 364 HD12 ILE 42 1HD1 ILE 42 6.375 -1.890 10.698 365 HD13 ILE 42 2HD1 ILE 42 7.308 -0.462 10.257 366 H THR 43 H THR 43 5.817 -4.102 5.434 367 HA THR 43 HA THR 43 4.329 -6.521 6.001 368 HB THR 43 HB THR 43 3.496 -6.357 3.709 369 HG1 THR 43 HG1 THR 43 4.695 -4.073 2.901 370 HG21 THR 43 3HG2 THR 43 3.654 -3.580 4.939 371 HG22 THR 43 1HG2 THR 43 2.455 -4.814 5.341 372 HG23 THR 43 2HG2 THR 43 2.491 -4.111 3.722 373 H GLY 44 H GLY 44 7.280 -5.665 4.232 374 HA2 GLY 44 2HA GLY 44 9.034 -7.092 3.589 375 HA3 GLY 44 3HA GLY 44 8.002 -8.493 3.829 376 H LEU 45 H LEU 45 6.579 -5.939 2.020 377 HA LEU 45 HA LEU 45 6.475 -7.566 -0.396 378 HB2 LEU 45 2HB LEU 45 5.182 -4.918 0.353 379 HB3 LEU 45 3HB LEU 45 4.926 -5.715 -1.196 380 HG LEU 45 HG LEU 45 4.171 -6.914 1.504 381 HD11 LEU 45 1HD1 LEU 45 2.783 -4.953 1.013 382 HD12 LEU 45 2HD1 LEU 45 1.843 -6.439 0.888 383 HD13 LEU 45 3HD1 LEU 45 2.382 -5.614 -0.576 384 HD21 LEU 45 3HD2 LEU 45 4.674 -8.638 -0.171 385 HD22 LEU 45 1HD2 LEU 45 3.564 -7.876 -1.317 386 HD23 LEU 45 2HD2 LEU 45 2.948 -8.594 0.174 387 H THR 46 H THR 46 6.512 -6.278 -2.527 388 HA THR 46 HA THR 46 8.986 -4.679 -2.775 389 HB THR 46 HB THR 46 8.930 -5.197 -5.153 390 HG1 THR 46 HG1 THR 46 7.204 -6.172 -6.143 391 HG21 THR 46 3HG2 THR 46 8.232 -7.717 -3.591 392 HG22 THR 46 1HG2 THR 46 9.847 -7.019 -3.767 393 HG23 THR 46 2HG2 THR 46 9.010 -7.674 -5.174 394 H LYS 47 H LYS 47 8.940 -2.682 -3.942 395 HA LYS 47 HA LYS 47 6.779 -0.931 -3.554 396 HB2 LYS 47 2HB LYS 47 9.111 -0.205 -3.762 397 HB3 LYS 47 3HB LYS 47 9.168 -0.735 -5.433 398 HG2 LYS 47 2HG LYS 47 7.679 1.040 -6.125 399 HG3 LYS 47 3HG LYS 47 7.356 1.493 -4.453 400 HD2 LYS 47 2HD LYS 47 10.060 1.721 -5.849 401 HD3 LYS 47 3HD LYS 47 8.947 3.059 -5.564 402 HE2 LYS 47 2HE LYS 47 9.210 2.802 -3.137 403 HE3 LYS 47 3HE LYS 47 10.253 1.395 -3.370 404 HZ1 LYS 47 3HZ LYS 47 10.844 4.185 -4.197 405 HZ2 LYS 47 1HZ LYS 47 11.834 2.857 -4.521 406 HZ3 LYS 47 2HZ LYS 47 11.567 3.338 -2.926 407 H GLY 48 H GLY 48 7.458 -3.106 -6.219 408 HA2 GLY 48 2HA GLY 48 5.684 -2.078 -8.191 409 HA3 GLY 48 3HA GLY 48 6.296 -3.722 -8.093 410 H GLU 49 H GLU 49 5.216 -4.713 -5.777 411 HA GLU 49 HA GLU 49 2.523 -5.325 -6.394 412 HB2 GLU 49 2HB GLU 49 4.068 -5.656 -3.790 413 HB3 GLU 49 3HB GLU 49 2.433 -6.273 -4.018 414 HG2 GLU 49 2HG GLU 49 4.928 -7.130 -5.514 415 HG3 GLU 49 3HG GLU 49 4.046 -8.060 -4.304 416 H ILE 50 H ILE 50 3.932 -2.930 -4.275 417 HA ILE 50 HA ILE 50 1.564 -2.076 -2.936 418 HB ILE 50 HB ILE 50 4.267 -0.720 -3.359 419 HG12 ILE 50 2HG1 ILE 50 3.131 -2.235 -0.956 420 HG13 ILE 50 3HG1 ILE 50 4.321 -2.871 -2.085 421 HG21 ILE 50 1HG2 ILE 50 2.593 1.014 -2.860 422 HG22 ILE 50 2HG2 ILE 50 3.692 0.800 -1.499 423 HG23 ILE 50 3HG2 ILE 50 2.067 0.116 -1.434 424 HD11 ILE 50 3HD1 ILE 50 4.715 -0.570 -0.176 425 HD12 ILE 50 1HD1 ILE 50 5.915 -1.157 -1.333 426 HD13 ILE 50 2HD1 ILE 50 5.365 -2.202 -0.025 427 H LYS 51 H LYS 51 3.428 -0.559 -5.629 428 HA LYS 51 HA LYS 51 1.656 1.529 -6.255 429 HB2 LYS 51 2HB LYS 51 3.706 0.047 -7.928 430 HB3 LYS 51 3HB LYS 51 2.716 1.309 -8.650 431 HG2 LYS 51 2HG LYS 51 4.580 1.693 -6.281 432 HG3 LYS 51 3HG LYS 51 4.939 2.130 -7.958 433 HD2 LYS 51 2HD LYS 51 2.877 3.651 -7.880 434 HD3 LYS 51 3HD LYS 51 2.812 3.337 -6.142 435 HE2 LYS 51 2HE LYS 51 3.951 5.455 -6.590 436 HE3 LYS 51 3HE LYS 51 5.079 4.293 -5.895 437 HZ1 LYS 51 3HZ LYS 51 5.895 3.838 -8.135 438 HZ2 LYS 51 1HZ LYS 51 6.085 5.464 -7.714 439 HZ3 LYS 51 2HZ LYS 51 4.848 4.999 -8.766 440 H LYS 52 H LYS 52 1.680 -1.824 -7.400 441 HA LYS 52 HA LYS 52 -0.415 -1.751 -9.270 442 HB2 LYS 52 2HB LYS 52 1.020 -3.731 -9.021 443 HB3 LYS 52 3HB LYS 52 0.436 -3.990 -7.381 444 HG2 LYS 52 2HG LYS 52 -1.827 -4.498 -8.265 445 HG3 LYS 52 3HG LYS 52 -1.236 -4.234 -9.911 446 HD2 LYS 52 2HD LYS 52 0.340 -6.126 -9.655 447 HD3 LYS 52 3HD LYS 52 -0.223 -6.383 -7.999 448 HE2 LYS 52 2HE LYS 52 -2.455 -6.962 -8.819 449 HE3 LYS 52 3HE LYS 52 -1.973 -6.601 -10.477 450 HZ1 LYS 52 3HZ LYS 52 -1.961 -8.967 -10.028 451 HZ2 LYS 52 1HZ LYS 52 -0.834 -8.755 -8.785 452 HZ3 LYS 52 2HZ LYS 52 -0.402 -8.413 -10.382 453 H TRP 53 H TRP 53 -0.501 -2.424 -5.767 454 HA TRP 53 HA TRP 53 -3.222 -3.039 -5.525 455 HB2 TRP 53 2HB TRP 53 -1.485 -3.610 -3.824 456 HB3 TRP 53 3HB TRP 53 -1.374 -1.912 -3.373 457 HD1 TRP 53 HD1 TRP 53 -3.698 -4.963 -3.037 458 HE1 TRP 53 HE1 TRP 53 -5.428 -4.484 -1.205 459 HE3 TRP 53 HE3 TRP 53 -2.640 -0.030 -2.137 460 HZ2 TRP 53 HZ2 TRP 53 -6.242 -2.340 0.412 461 HZ3 TRP 53 HZ3 TRP 53 -3.957 1.163 -0.433 462 HH2 TRP 53 HH2 TRP 53 -5.724 0.028 0.814 463 H PHE 54 H PHE 54 -1.577 0.095 -4.958 464 HA PHE 54 HA PHE 54 -3.875 1.516 -4.084 465 HB2 PHE 54 2HB PHE 54 -1.182 2.447 -5.120 466 HB3 PHE 54 3HB PHE 54 -2.444 3.602 -4.694 467 HD1 PHE 54 HD2 PHE 54 -3.262 3.754 -2.344 468 HD2 PHE 54 HD1 PHE 54 0.052 1.271 -3.379 469 HE1 PHE 54 HE2 PHE 54 -2.640 3.574 0.021 470 HE2 PHE 54 HE1 PHE 54 0.648 1.089 -1.007 471 HZ PHE 54 HZ PHE 54 -0.697 2.235 0.691 472 H SER 55 H SER 55 -2.655 0.898 -7.336 473 HA SER 55 HA SER 55 -4.390 2.711 -8.725 474 HB2 SER 55 2HB SER 55 -3.107 0.122 -9.697 475 HB3 SER 55 3HB SER 55 -3.879 1.318 -10.739 476 HG SER 55 HG SER 55 -1.543 1.657 -9.149 477 H ASP 56 H ASP 56 -4.714 -0.681 -7.679 478 HA ASP 56 HA ASP 56 -7.307 -1.194 -8.752 479 HB2 ASP 56 2HB ASP 56 -5.945 -2.443 -6.323 480 HB3 ASP 56 3HB ASP 56 -7.367 -3.098 -7.133 481 H THR 57 H THR 57 -6.191 0.100 -5.659 482 HA THR 57 HA THR 57 -8.730 0.116 -4.331 483 HB THR 57 HB THR 57 -6.225 1.663 -3.531 484 HG1 THR 57 HG1 THR 57 -5.433 -0.298 -3.330 485 HG21 THR 57 3HG2 THR 57 -8.547 0.620 -1.852 486 HG22 THR 57 1HG2 THR 57 -8.250 2.318 -2.247 487 HG23 THR 57 2HG2 THR 57 -7.113 1.434 -1.228 488 H ARG 58 H ARG 58 -6.976 2.438 -6.297 489 HA ARG 58 HA ARG 58 -8.515 4.743 -5.662 490 HB2 ARG 58 2HB ARG 58 -6.284 4.198 -7.337 491 HB3 ARG 58 3HB ARG 58 -7.516 4.792 -8.438 492 HG2 ARG 58 2HG ARG 58 -6.431 6.229 -5.987 493 HG3 ARG 58 3HG ARG 58 -6.114 6.637 -7.678 494 HD2 ARG 58 2HD ARG 58 -8.496 7.181 -7.996 495 HD3 ARG 58 3HD ARG 58 -8.841 6.742 -6.321 496 HE ARG 58 HE ARG 58 -7.256 9.076 -7.211 497 HH11 ARG 58 1HH1 ARG 58 -9.065 7.506 -4.698 498 HH12 ARG 58 2HH1 ARG 58 -9.226 8.956 -3.776 499 HH21 ARG 58 1HH2 ARG 58 -7.519 10.922 -6.015 500 HH22 ARG 58 2HH2 ARG 58 -8.349 10.853 -4.499 501 H TYR 59 H TYR 59 -8.952 2.166 -8.090 502 HA TYR 59 HA TYR 59 -11.458 3.228 -9.066 503 HB2 TYR 59 2HB TYR 59 -10.158 1.804 -10.566 504 HB3 TYR 59 3HB TYR 59 -10.222 0.464 -9.417 505 HD1 TYR 59 HD2 TYR 59 -12.430 2.665 -11.507 506 HD2 TYR 59 HD1 TYR 59 -12.043 -1.101 -9.523 507 HE1 TYR 59 HE2 TYR 59 -14.581 1.951 -12.440 508 HE2 TYR 59 HE1 TYR 59 -14.201 -1.806 -10.439 509 HH TYR 59 HH TYR 59 -16.306 -0.670 -11.287 510 H ASN 60 H ASN 60 -10.507 0.883 -6.590 511 HA ASN 60 HA ASN 60 -13.026 -0.266 -6.011 512 HB2 ASN 60 2HB ASN 60 -10.884 -1.232 -5.250 513 HB3 ASN 60 3HB ASN 60 -10.592 0.151 -4.214 514 HD21 ASN 60 1HD2 ASN 60 -11.696 0.300 -2.242 515 HD22 ASN 60 2HD2 ASN 60 -12.562 -1.031 -1.571 516 H GLN 61 H GLN 61 -11.563 2.754 -5.066 517 HA GLN 61 HA GLN 61 -13.265 3.645 -3.002 518 HB2 GLN 61 2HB GLN 61 -11.014 4.576 -3.680 519 HB3 GLN 61 3HB GLN 61 -11.770 5.296 -5.091 520 HG2 GLN 61 2HG GLN 61 -12.664 5.987 -2.288 521 HG3 GLN 61 3HG GLN 61 -11.278 6.778 -3.024 522 HE21 GLN 61 1HE2 GLN 61 -12.514 6.870 -5.719 523 HE22 GLN 61 2HE2 GLN 61 -13.710 8.104 -5.620 524 H ARG 62 H ARG 62 -13.679 3.554 -6.478 525 HA ARG 62 HA ARG 62 -16.348 4.875 -6.340 526 HB2 ARG 62 2HB ARG 62 -15.903 5.626 -8.703 527 HB3 ARG 62 3HB ARG 62 -14.780 6.319 -7.536 528 HG2 ARG 62 2HG ARG 62 -13.044 4.726 -8.214 529 HG3 ARG 62 3HG ARG 62 -14.163 3.939 -9.326 530 HD2 ARG 62 2HD ARG 62 -14.287 6.006 -10.669 531 HD3 ARG 62 3HD ARG 62 -13.178 6.806 -9.549 532 HE ARG 62 HE ARG 62 -11.550 4.970 -10.210 533 HH11 ARG 62 1HH1 ARG 62 -13.923 6.166 -12.418 534 HH12 ARG 62 2HH1 ARG 62 -12.997 5.726 -13.809 535 HH21 ARG 62 1HH2 ARG 62 -10.398 4.407 -11.992 536 HH22 ARG 62 2HH2 ARG 62 -11.025 4.734 -13.568 537 H ASN 63 H ASN 63 -16.179 2.149 -5.855 538 HA ASN 63 HA ASN 63 -16.002 0.449 -8.086 539 HB2 ASN 63 2HB ASN 63 -16.893 -1.325 -6.585 540 HB3 ASN 63 3HB ASN 63 -15.598 -0.390 -5.853 541 HD21 ASN 63 1HD2 ASN 63 -16.121 1.082 -4.159 542 HD22 ASN 63 2HD2 ASN 63 -17.591 0.932 -3.271 543 H SER 64 H SER 64 -18.960 1.670 -6.506 544 HA SER 64 HA SER 64 -20.741 0.112 -8.179 545 HB2 SER 64 2HB SER 64 -21.381 2.342 -6.211 546 HB3 SER 64 3HB SER 64 -22.577 1.310 -6.993 547 HG SER 64 HG SER 64 -20.467 0.280 -5.412 548 H LYS 65 H LYS 65 -20.073 3.619 -7.878 549 HA LYS 65 HA LYS 65 -21.661 4.441 -10.097 550 HB2 LYS 65 2HB LYS 65 -19.365 5.796 -8.623 551 HB3 LYS 65 3HB LYS 65 -20.294 6.595 -9.893 552 HG2 LYS 65 2HG LYS 65 -22.349 6.369 -8.570 553 HG3 LYS 65 3HG LYS 65 -21.468 5.509 -7.304 554 HD2 LYS 65 2HD LYS 65 -20.169 7.501 -6.782 555 HD3 LYS 65 3HD LYS 65 -20.857 8.372 -8.156 556 HE2 LYS 65 2HE LYS 65 -21.893 9.063 -6.017 557 HE3 LYS 65 3HE LYS 65 -23.073 8.328 -7.100 558 HZ1 LYS 65 3HZ LYS 65 -22.928 6.283 -5.843 559 HZ2 LYS 65 1HZ LYS 65 -23.316 7.566 -4.812 560 HZ3 LYS 65 2HZ LYS 65 -21.745 6.942 -4.833 561 H SER 66 H SER 66 -18.359 3.348 -9.800 562 HA SER 66 HA SER 66 -16.915 2.391 -11.213 563 HB2 SER 66 2HB SER 66 -19.039 2.745 -13.361 564 HB3 SER 66 3HB SER 66 -17.565 1.788 -13.543 565 HG SER 66 HG SER 66 -18.719 0.962 -11.318 566 H ASN 67 H ASN 67 -18.393 5.093 -13.078 567 HA ASN 67 HA ASN 67 -15.832 5.834 -14.228 568 HB2 ASN 67 2HB ASN 67 -18.581 7.113 -14.559 569 HB3 ASN 67 3HB ASN 67 -17.153 7.482 -15.529 570 HD21 ASN 67 1HD2 ASN 67 -19.600 5.065 -14.829 571 HD22 ASN 67 2HD2 ASN 67 -19.331 4.117 -16.247 572 H GLN 68 H GLN 68 -18.342 7.855 -12.589 573 HA GLN 68 HA GLN 68 -16.178 9.644 -11.600 574 HB2 GLN 68 2HB GLN 68 -17.902 11.420 -11.522 575 HB3 GLN 68 3HB GLN 68 -17.737 10.743 -13.137 576 HG2 GLN 68 2HG GLN 68 -19.797 9.396 -12.757 577 HG3 GLN 68 3HG GLN 68 -19.966 10.136 -11.162 578 HE21 GLN 68 1HE2 GLN 68 -21.968 11.075 -11.675 579 HE22 GLN 68 2HE2 GLN 68 -22.124 12.404 -12.765 580 H CYS 69 H CYS 69 -17.058 10.976 -9.583 581 HA CYS 69 HA CYS 69 -18.089 9.107 -7.513 582 HB2 CYS 69 2HB CYS 69 -15.743 11.040 -7.246 583 HB3 CYS 69 3HB CYS 69 -16.442 10.121 -5.913 584 HG CYS 69 HG CYS 69 -15.573 7.703 -6.663 585 H LEU 70 H LEU 70 -19.079 10.116 -5.660 586 HA LEU 70 HA LEU 70 -20.468 12.609 -6.137 587 HB2 LEU 70 2HB LEU 70 -21.392 12.242 -3.806 588 HB3 LEU 70 3HB LEU 70 -21.727 10.980 -4.970 589 HG LEU 70 HG LEU 70 -19.775 9.662 -3.877 590 HD11 LEU 70 1HD1 LEU 70 -18.732 11.462 -2.579 591 HD12 LEU 70 2HD1 LEU 70 -19.255 10.145 -1.535 592 HD13 LEU 70 3HD1 LEU 70 -20.200 11.634 -1.612 593 HD21 LEU 70 3HD2 LEU 70 -21.224 8.752 -2.116 594 HD22 LEU 70 1HD2 LEU 70 -22.125 9.028 -3.606 595 HD23 LEU 70 2HD2 LEU 70 -22.291 10.152 -2.255 596 H HIS 71 H HIS 71 -20.300 14.541 -4.864 597 HA HIS 71 HA HIS 71 -19.206 16.312 -3.967 598 HB2 HIS 71 2HB HIS 71 -19.416 14.747 -1.947 599 HB3 HIS 71 3HB HIS 71 -17.748 14.266 -2.220 600 HD1 HIS 71 HD1 HIS 71 -19.800 17.323 -1.277 601 HD2 HIS 71 HD2 HIS 71 -15.890 15.943 -1.026 602 HE1 HIS 71 HE1 HIS 71 -18.622 18.919 0.255 603 HE2 HIS 71 HE2 HIS 71 -16.241 18.115 0.324 604 H LEU 72 H LEU 72 -18.157 15.366 -6.357 605 HA LEU 72 HA LEU 72 -15.347 14.997 -6.455 606 HB2 LEU 72 2HB LEU 72 -16.981 14.365 -8.262 607 HB3 LEU 72 3HB LEU 72 -17.199 16.068 -8.624 608 HG LEU 72 HG LEU 72 -14.721 16.173 -9.223 609 HD11 LEU 72 1HD1 LEU 72 -14.891 13.143 -9.050 610 HD12 LEU 72 2HD1 LEU 72 -13.934 14.193 -8.000 611 HD13 LEU 72 3HD1 LEU 72 -13.543 14.072 -9.713 612 HD21 LEU 72 3HD2 LEU 72 -16.451 16.049 -10.959 613 HD22 LEU 72 1HD2 LEU 72 -16.437 14.285 -10.871 614 HD23 LEU 72 2HD2 LEU 72 -15.012 15.156 -11.442 615 H ASN 73 H ASN 73 -13.691 16.454 -6.371 616 HA ASN 73 HA ASN 73 -14.189 19.184 -5.622 617 HB2 ASN 73 2HB ASN 73 -11.574 17.705 -6.162 618 HB3 ASN 73 3HB ASN 73 -11.669 19.355 -5.539 619 HD21 ASN 73 1HD2 ASN 73 -12.187 15.986 -4.797 620 HD22 ASN 73 2HD2 ASN 73 -12.357 16.188 -3.095 621 H ASN 74 H ASN 74 -14.312 20.936 -6.870 622 HA ASN 74 HA ASN 74 -13.052 21.039 -9.548 623 HB2 ASN 74 2HB ASN 74 -15.439 20.372 -9.837 624 HB3 ASN 74 3HB ASN 74 -15.946 21.807 -8.961 625 HD21 ASN 74 1HD2 ASN 74 -15.824 23.835 -9.999 626 HD22 ASN 74 2HD2 ASN 74 -15.602 23.964 -11.708 Start of MODEL 2 1 H1 SER 1 1H SER 1 -9.306 -3.173 -12.501 2 H2 SER 1 2H SER 1 -8.462 -2.257 -13.647 3 H3 SER 1 3H SER 1 -7.783 -2.541 -12.123 4 HA SER 1 HA SER 1 -6.760 -3.912 -13.822 5 HB2 SER 1 2HB SER 1 -6.789 -4.778 -11.517 6 HB3 SER 1 3HB SER 1 -8.396 -5.459 -11.758 7 HG SER 1 HG SER 1 -5.924 -6.296 -12.867 8 H HIS 2 H HIS 2 -7.100 -4.613 -15.824 9 HA HIS 2 HA HIS 2 -9.550 -6.179 -16.447 10 HB2 HIS 2 2HB HIS 2 -9.446 -4.001 -17.694 11 HB3 HIS 2 3HB HIS 2 -7.882 -4.460 -18.356 12 HD1 HIS 2 HD1 HIS 2 -11.539 -5.317 -18.562 13 HD2 HIS 2 HD2 HIS 2 -8.010 -6.143 -20.591 14 HE1 HIS 2 HE1 HIS 2 -12.235 -6.497 -20.652 15 HE2 HIS 2 HE2 HIS 2 -10.110 -6.806 -21.953 16 H MET 3 H MET 3 -8.869 -8.249 -16.207 17 HA MET 3 HA MET 3 -7.788 -10.210 -16.360 18 HB2 MET 3 2HB MET 3 -6.321 -8.992 -18.731 19 HB3 MET 3 3HB MET 3 -6.327 -10.705 -18.321 20 HG2 MET 3 2HG MET 3 -8.748 -10.797 -18.747 21 HG3 MET 3 3HG MET 3 -8.756 -9.071 -19.125 22 HE1 MET 3 3HE MET 3 -9.954 -9.564 -21.453 23 HE2 MET 3 1HE MET 3 -9.949 -11.294 -21.114 24 HE3 MET 3 2HE MET 3 -9.327 -10.698 -22.653 25 HA PRO 4 HA PRO 4 -4.324 -8.811 -13.691 26 HB2 PRO 4 2HB PRO 4 -4.181 -11.029 -12.087 27 HB3 PRO 4 3HB PRO 4 -5.447 -9.805 -11.911 28 HG2 PRO 4 2HG PRO 4 -5.569 -12.459 -13.357 29 HG3 PRO 4 3HG PRO 4 -6.742 -11.755 -12.222 30 HD2 PRO 4 2HD PRO 4 -7.093 -11.625 -14.913 31 HD3 PRO 4 3HD PRO 4 -7.639 -10.319 -13.835 32 H ASP 5 H ASP 5 -2.262 -8.820 -14.390 33 HA ASP 5 HA ASP 5 -1.039 -10.805 -16.011 34 HB2 ASP 5 2HB ASP 5 0.257 -8.558 -14.400 35 HB3 ASP 5 3HB ASP 5 1.044 -9.473 -15.686 36 H SER 6 H SER 6 -1.225 -12.784 -14.934 37 HA SER 6 HA SER 6 -0.024 -13.154 -12.273 38 HB2 SER 6 2HB SER 6 -1.521 -15.172 -14.005 39 HB3 SER 6 3HB SER 6 -1.099 -15.351 -12.300 40 HG SER 6 HG SER 6 -3.036 -13.665 -13.500 41 H PHE 7 H PHE 7 2.122 -12.613 -13.313 42 HA PHE 7 HA PHE 7 3.375 -14.954 -14.663 43 HB2 PHE 7 2HB PHE 7 4.046 -12.006 -15.090 44 HB3 PHE 7 3HB PHE 7 4.795 -13.370 -15.914 45 HD1 PHE 7 HD2 PHE 7 2.756 -15.054 -16.910 46 HD2 PHE 7 HD1 PHE 7 2.633 -10.791 -16.535 47 HE1 PHE 7 HE2 PHE 7 1.053 -14.940 -18.682 48 HE2 PHE 7 HE1 PHE 7 0.927 -10.691 -18.311 49 HZ PHE 7 HZ PHE 7 0.140 -12.765 -19.384 50 H GLY 8 H GLY 8 5.022 -15.853 -13.578 51 HA2 GLY 8 2HA GLY 8 7.041 -16.027 -12.466 52 HA3 GLY 8 3HA GLY 8 7.051 -14.289 -12.214 53 H ILE 9 H ILE 9 7.972 -15.785 -10.206 54 HA ILE 9 HA ILE 9 5.983 -16.435 -8.211 55 HB ILE 9 HB ILE 9 9.011 -16.051 -7.955 56 HG12 ILE 9 2HG1 ILE 9 8.956 -18.605 -7.545 57 HG13 ILE 9 3HG1 ILE 9 7.302 -18.576 -8.139 58 HG21 ILE 9 1HG2 ILE 9 7.099 -17.060 -5.812 59 HG22 ILE 9 2HG2 ILE 9 7.993 -15.540 -5.789 60 HG23 ILE 9 3HG2 ILE 9 8.864 -17.067 -5.701 61 HD11 ILE 9 3HD1 ILE 9 9.777 -17.811 -9.688 62 HD12 ILE 9 1HD1 ILE 9 8.124 -17.778 -10.310 63 HD13 ILE 9 2HD1 ILE 9 8.858 -19.309 -9.836 64 H ARG 10 H ARG 10 4.693 -14.742 -7.566 65 HA ARG 10 HA ARG 10 5.927 -12.085 -7.003 66 HB2 ARG 10 2HB ARG 10 3.933 -11.009 -7.894 67 HB3 ARG 10 3HB ARG 10 4.598 -12.106 -9.099 68 HG2 ARG 10 2HG ARG 10 2.848 -13.756 -8.621 69 HG3 ARG 10 3HG ARG 10 2.208 -12.740 -7.325 70 HD2 ARG 10 2HD ARG 10 2.251 -12.074 -10.297 71 HD3 ARG 10 3HD ARG 10 0.835 -12.504 -9.333 72 HE ARG 10 HE ARG 10 1.407 -10.383 -8.009 73 HH11 ARG 10 1HH1 ARG 10 2.001 -10.644 -11.399 74 HH12 ARG 10 2HH1 ARG 10 1.856 -8.951 -11.653 75 HH21 ARG 10 1HH2 ARG 10 1.250 -8.210 -8.382 76 HH22 ARG 10 2HH2 ARG 10 1.450 -7.599 -9.987 77 H ALA 11 H ALA 11 4.365 -14.629 -5.501 78 HA ALA 11 HA ALA 11 3.138 -14.985 -3.631 79 HB1 ALA 11 3HB ALA 11 3.546 -13.500 -1.704 80 HB2 ALA 11 1HB ALA 11 4.223 -12.269 -2.780 81 HB3 ALA 11 2HB ALA 11 5.046 -13.816 -2.579 82 H LYS 12 H LYS 12 1.629 -13.188 -1.955 83 HA LYS 12 HA LYS 12 -0.082 -11.557 -3.676 84 HB2 LYS 12 2HB LYS 12 -1.126 -13.811 -3.778 85 HB3 LYS 12 3HB LYS 12 -1.219 -13.866 -2.022 86 HG2 LYS 12 2HG LYS 12 -2.833 -12.033 -1.997 87 HG3 LYS 12 3HG LYS 12 -2.662 -11.808 -3.741 88 HD2 LYS 12 2HD LYS 12 -3.765 -14.314 -2.399 89 HD3 LYS 12 3HD LYS 12 -4.750 -13.027 -3.101 90 HE2 LYS 12 2HE LYS 12 -3.732 -13.490 -5.327 91 HE3 LYS 12 3HE LYS 12 -2.798 -14.807 -4.611 92 HZ1 LYS 12 3HZ LYS 12 -5.752 -14.635 -4.764 93 HZ2 LYS 12 1HZ LYS 12 -4.885 -15.885 -4.025 94 HZ3 LYS 12 2HZ LYS 12 -4.754 -15.635 -5.689 95 H LYS 13 H LYS 13 -1.267 -10.015 -2.572 96 HA LYS 13 HA LYS 13 -0.112 -8.978 -0.183 97 HB2 LYS 13 2HB LYS 13 -2.662 -8.111 -1.616 98 HB3 LYS 13 3HB LYS 13 -1.725 -7.143 -0.474 99 HG2 LYS 13 2HG LYS 13 0.127 -6.980 -2.018 100 HG3 LYS 13 3HG LYS 13 -0.610 -8.152 -3.117 101 HD2 LYS 13 2HD LYS 13 -2.478 -6.540 -3.518 102 HD3 LYS 13 3HD LYS 13 -1.655 -5.360 -2.487 103 HE2 LYS 13 2HE LYS 13 -1.246 -4.944 -4.892 104 HE3 LYS 13 3HE LYS 13 0.247 -5.310 -4.030 105 HZ1 LYS 13 3HZ LYS 13 0.101 -7.585 -4.854 106 HZ2 LYS 13 1HZ LYS 13 0.177 -6.470 -6.118 107 HZ3 LYS 13 2HZ LYS 13 -1.296 -7.197 -5.728 108 H THR 14 H THR 14 -0.442 -10.189 1.625 109 HA THR 14 HA THR 14 -2.849 -11.599 2.291 110 HB THR 14 HB THR 14 -1.780 -12.242 4.340 111 HG1 THR 14 HG1 THR 14 0.193 -11.104 5.018 112 HG21 THR 14 3HG2 THR 14 -0.668 -13.234 2.368 113 HG22 THR 14 1HG2 THR 14 0.488 -12.960 3.672 114 HG23 THR 14 2HG2 THR 14 0.441 -11.860 2.291 115 H LYS 15 H LYS 15 -3.840 -11.189 4.649 116 HA LYS 15 HA LYS 15 -5.182 -8.681 4.614 117 HB2 LYS 15 2HB LYS 15 -4.995 -10.780 6.807 118 HB3 LYS 15 3HB LYS 15 -6.116 -9.415 6.833 119 HG2 LYS 15 2HG LYS 15 -7.238 -10.259 4.829 120 HG3 LYS 15 3HG LYS 15 -6.070 -11.581 4.703 121 HD2 LYS 15 2HD LYS 15 -6.869 -12.506 6.848 122 HD3 LYS 15 3HD LYS 15 -8.014 -11.168 7.015 123 HE2 LYS 15 2HE LYS 15 -9.099 -13.237 6.177 124 HE3 LYS 15 3HE LYS 15 -9.216 -11.918 5.014 125 HZ1 LYS 15 3HZ LYS 15 -8.624 -14.050 3.998 126 HZ2 LYS 15 1HZ LYS 15 -7.194 -14.090 4.896 127 HZ3 LYS 15 2HZ LYS 15 -7.442 -12.877 3.745 128 H GLU 16 H GLU 16 -2.416 -9.861 6.442 129 HA GLU 16 HA GLU 16 -2.166 -7.646 8.251 130 HB2 GLU 16 2HB GLU 16 -0.166 -9.782 7.411 131 HB3 GLU 16 3HB GLU 16 0.061 -8.661 8.755 132 HG2 GLU 16 2HG GLU 16 -1.871 -9.605 9.918 133 HG3 GLU 16 3HG GLU 16 -2.208 -10.671 8.553 134 H GLN 17 H GLN 17 -0.704 -8.466 5.126 135 HA GLN 17 HA GLN 17 1.046 -6.207 4.922 136 HB2 GLN 17 2HB GLN 17 -0.122 -8.025 2.763 137 HB3 GLN 17 3HB GLN 17 1.169 -6.850 2.494 138 HG2 GLN 17 2HG GLN 17 2.609 -8.070 4.082 139 HG3 GLN 17 3HG GLN 17 1.325 -9.245 4.358 140 HE21 GLN 17 1HE2 GLN 17 4.068 -9.620 3.312 141 HE22 GLN 17 2HE2 GLN 17 3.873 -10.397 1.783 142 H LEU 18 H LEU 18 -2.211 -6.877 3.789 143 HA LEU 18 HA LEU 18 -2.708 -4.553 2.274 144 HB2 LEU 18 2HB LEU 18 -3.919 -6.849 2.302 145 HB3 LEU 18 3HB LEU 18 -4.821 -6.241 3.671 146 HG LEU 18 HG LEU 18 -4.854 -4.880 0.944 147 HD11 LEU 18 1HD1 LEU 18 -6.803 -6.983 1.953 148 HD12 LEU 18 2HD1 LEU 18 -5.637 -7.182 0.643 149 HD13 LEU 18 3HD1 LEU 18 -6.969 -6.044 0.463 150 HD21 LEU 18 3HD2 LEU 18 -6.996 -3.895 1.716 151 HD22 LEU 18 1HD2 LEU 18 -5.649 -3.440 2.759 152 HD23 LEU 18 2HD2 LEU 18 -6.788 -4.681 3.284 153 H ALA 19 H ALA 19 -3.099 -5.318 5.707 154 HA ALA 19 HA ALA 19 -4.740 -3.206 6.570 155 HB1 ALA 19 3HB ALA 19 -3.860 -3.674 8.817 156 HB2 ALA 19 1HB ALA 19 -2.533 -4.608 8.117 157 HB3 ALA 19 2HB ALA 19 -4.197 -5.174 7.950 158 H GLU 20 H GLU 20 -1.189 -3.342 6.294 159 HA GLU 20 HA GLU 20 -0.634 -0.746 7.335 160 HB2 GLU 20 2HB GLU 20 1.023 -2.453 5.439 161 HB3 GLU 20 3HB GLU 20 1.612 -1.033 6.305 162 HG2 GLU 20 2HG GLU 20 0.692 -3.659 7.522 163 HG3 GLU 20 3HG GLU 20 2.347 -3.061 7.425 164 H LEU 21 H LEU 21 -1.129 -1.970 4.068 165 HA LEU 21 HA LEU 21 -0.679 0.432 2.613 166 HB2 LEU 21 2HB LEU 21 -2.469 -1.915 1.862 167 HB3 LEU 21 3HB LEU 21 -1.784 -0.732 0.752 168 HG LEU 21 HG LEU 21 -0.216 -2.802 2.347 169 HD11 LEU 21 1HD1 LEU 21 0.225 -3.891 0.215 170 HD12 LEU 21 2HD1 LEU 21 -0.770 -2.701 -0.627 171 HD13 LEU 21 3HD1 LEU 21 -1.509 -3.808 0.536 172 HD21 LEU 21 3HD2 LEU 21 0.811 -0.775 0.334 173 HD22 LEU 21 1HD2 LEU 21 1.759 -2.075 1.065 174 HD23 LEU 21 2HD2 LEU 21 1.121 -0.780 2.073 175 H LYS 22 H LYS 22 -3.459 -0.905 4.267 176 HA LYS 22 HA LYS 22 -5.521 0.674 3.107 177 HB2 LYS 22 2HB LYS 22 -5.484 -1.577 4.705 178 HB3 LYS 22 3HB LYS 22 -5.938 -0.373 5.900 179 HG2 LYS 22 2HG LYS 22 -7.411 -0.997 3.317 180 HG3 LYS 22 3HG LYS 22 -7.899 -1.495 4.939 181 HD2 LYS 22 2HD LYS 22 -8.187 0.914 5.547 182 HD3 LYS 22 3HD LYS 22 -7.760 1.369 3.892 183 HE2 LYS 22 2HE LYS 22 -9.729 0.091 3.063 184 HE3 LYS 22 3HE LYS 22 -10.165 -0.304 4.732 185 HZ1 LYS 22 3HZ LYS 22 -10.073 2.387 3.493 186 HZ2 LYS 22 1HZ LYS 22 -10.321 2.105 5.143 187 HZ3 LYS 22 2HZ LYS 22 -11.435 1.537 4.012 188 H VAL 23 H VAL 23 -3.780 0.908 6.224 189 HA VAL 23 HA VAL 23 -4.857 3.358 7.140 190 HB VAL 23 HB VAL 23 -2.137 2.106 7.745 191 HG11 VAL 23 1HG1 VAL 23 -2.087 4.490 8.374 192 HG12 VAL 23 2HG1 VAL 23 -2.132 3.490 9.826 193 HG13 VAL 23 3HG1 VAL 23 -3.596 4.309 9.274 194 HG21 VAL 23 3HG2 VAL 23 -4.771 1.922 9.263 195 HG22 VAL 23 1HG2 VAL 23 -3.236 1.221 9.787 196 HG23 VAL 23 2HG2 VAL 23 -4.023 0.628 8.323 197 H SER 24 H SER 24 -2.043 2.655 5.092 198 HA SER 24 HA SER 24 -1.106 5.349 4.836 199 HB2 SER 24 2HB SER 24 0.368 3.429 4.393 200 HB3 SER 24 3HB SER 24 -0.626 2.962 3.016 201 HG SER 24 HG SER 24 0.031 4.793 1.935 202 H TYR 25 H TYR 25 -3.577 3.502 3.140 203 HA TYR 25 HA TYR 25 -3.999 5.369 0.980 204 HB2 TYR 25 2HB TYR 25 -4.613 2.942 0.870 205 HB3 TYR 25 3HB TYR 25 -5.871 3.212 2.067 206 HD1 TYR 25 HD1 TYR 25 -4.803 4.032 -1.420 207 HD2 TYR 25 HD2 TYR 25 -8.031 4.073 1.385 208 HE1 TYR 25 HE1 TYR 25 -6.369 4.599 -3.228 209 HE2 TYR 25 HE2 TYR 25 -9.600 4.625 -0.427 210 HH TYR 25 HH TYR 25 -9.515 5.692 -2.655 211 H LEU 26 H LEU 26 -5.326 4.910 4.224 212 HA LEU 26 HA LEU 26 -7.541 6.682 4.074 213 HB2 LEU 26 2HB LEU 26 -5.921 5.769 6.485 214 HB3 LEU 26 3HB LEU 26 -7.436 6.655 6.595 215 HG LEU 26 HG LEU 26 -7.148 3.897 5.334 216 HD11 LEU 26 1HD1 LEU 26 -8.289 3.017 7.318 217 HD12 LEU 26 2HD1 LEU 26 -8.258 4.619 8.063 218 HD13 LEU 26 3HD1 LEU 26 -6.746 3.764 7.737 219 HD21 LEU 26 3HD2 LEU 26 -9.605 3.843 5.336 220 HD22 LEU 26 1HD2 LEU 26 -8.995 5.173 4.351 221 HD23 LEU 26 2HD2 LEU 26 -9.654 5.496 5.957 222 H LYS 27 H LYS 27 -4.155 7.200 5.147 223 HA LYS 27 HA LYS 27 -4.492 9.977 5.773 224 HB2 LYS 27 2HB LYS 27 -2.062 10.090 5.951 225 HB3 LYS 27 3HB LYS 27 -2.639 8.622 6.730 226 HG2 LYS 27 2HG LYS 27 -1.930 7.292 4.776 227 HG3 LYS 27 3HG LYS 27 -1.388 8.756 3.959 228 HD2 LYS 27 2HD LYS 27 0.550 7.632 4.869 229 HD3 LYS 27 3HD LYS 27 0.283 9.107 5.800 230 HE2 LYS 27 2HE LYS 27 -0.753 7.784 7.610 231 HE3 LYS 27 3HE LYS 27 -0.534 6.305 6.669 232 HZ1 LYS 27 3HZ LYS 27 1.189 6.564 8.318 233 HZ2 LYS 27 1HZ LYS 27 1.641 8.060 7.675 234 HZ3 LYS 27 2HZ LYS 27 1.854 6.647 6.769 235 H ASN 28 H ASN 28 -3.583 8.234 2.810 236 HA ASN 28 HA ASN 28 -4.251 10.422 1.083 237 HB2 ASN 28 2HB ASN 28 -2.002 11.202 1.836 238 HB3 ASN 28 3HB ASN 28 -1.289 9.690 1.293 239 HD21 ASN 28 1HD2 ASN 28 0.114 11.050 0.039 240 HD22 ASN 28 2HD2 ASN 28 -0.409 11.680 -1.478 241 H GLN 29 H GLN 29 -4.953 9.564 -0.829 242 HA GLN 29 HA GLN 29 -4.948 6.746 -1.284 243 HB2 GLN 29 2HB GLN 29 -5.775 8.935 -3.225 244 HB3 GLN 29 3HB GLN 29 -6.206 7.232 -3.335 245 HG2 GLN 29 2HG GLN 29 -7.481 7.439 -1.210 246 HG3 GLN 29 3HG GLN 29 -7.076 9.158 -1.150 247 HE21 GLN 29 1HE2 GLN 29 -9.265 9.732 -1.209 248 HE22 GLN 29 2HE2 GLN 29 -10.215 9.612 -2.642 249 H PHE 30 H PHE 30 -2.901 9.332 -2.410 250 HA PHE 30 HA PHE 30 -1.294 7.434 -4.039 251 HB2 PHE 30 2HB PHE 30 -1.682 10.420 -4.564 252 HB3 PHE 30 3HB PHE 30 -0.631 9.355 -5.486 253 HD1 PHE 30 HD1 PHE 30 -4.134 10.340 -4.854 254 HD2 PHE 30 HD2 PHE 30 -1.571 7.766 -7.119 255 HE1 PHE 30 HE1 PHE 30 -5.988 9.843 -6.397 256 HE2 PHE 30 HE2 PHE 30 -3.432 7.279 -8.658 257 HZ PHE 30 HZ PHE 30 -5.637 8.315 -8.298 258 HA PRO 31 HA PRO 31 1.192 9.247 -0.452 259 HB2 PRO 31 2HB PRO 31 2.261 6.953 0.541 260 HB3 PRO 31 3HB PRO 31 0.605 7.448 0.926 261 HG2 PRO 31 2HG PRO 31 1.556 5.457 -1.138 262 HG3 PRO 31 3HG PRO 31 0.232 5.293 0.038 263 HD2 PRO 31 2HD PRO 31 -0.200 5.993 -2.579 264 HD3 PRO 31 3HD PRO 31 -1.246 6.554 -1.257 265 H HIS 32 H HIS 32 3.472 9.625 -0.331 266 HA HIS 32 HA HIS 32 4.876 9.508 -2.795 267 HB2 HIS 32 2HB HIS 32 5.183 11.303 -1.051 268 HB3 HIS 32 3HB HIS 32 6.053 10.146 -0.048 269 HD2 HIS 32 HD2 HIS 32 6.574 12.267 -3.288 270 HE1 HIS 32 HE1 HIS 32 10.228 10.395 -2.282 271 HE2 HIS 32 HE2 HIS 32 9.134 12.198 -3.675 272 H ASP 33 H ASP 33 6.944 8.463 -3.230 273 HA ASP 33 HA ASP 33 6.758 5.678 -2.806 274 HB2 ASP 33 2HB ASP 33 7.724 7.052 -4.822 275 HB3 ASP 33 3HB ASP 33 9.238 7.002 -3.925 276 H SER 34 H SER 34 8.433 8.104 -1.003 277 HA SER 34 HA SER 34 10.378 6.528 0.361 278 HB2 SER 34 2HB SER 34 8.926 9.056 1.252 279 HB3 SER 34 3HB SER 34 10.338 8.376 2.064 280 HG SER 34 HG SER 34 10.366 10.090 0.134 281 H GLU 35 H GLU 35 6.934 7.172 0.993 282 HA GLU 35 HA GLU 35 6.698 5.819 3.488 283 HB2 GLU 35 2HB GLU 35 4.973 7.392 2.530 284 HB3 GLU 35 3HB GLU 35 4.557 6.176 1.334 285 HG2 GLU 35 2HG GLU 35 2.905 6.142 3.099 286 HG3 GLU 35 3HG GLU 35 3.840 4.649 3.163 287 H ILE 36 H ILE 36 6.315 4.785 0.115 288 HA ILE 36 HA ILE 36 5.496 2.124 0.458 289 HB ILE 36 HB ILE 36 7.085 3.424 -1.796 290 HG12 ILE 36 2HG1 ILE 36 4.102 2.808 -1.516 291 HG13 ILE 36 3HG1 ILE 36 4.836 4.402 -1.382 292 HG21 ILE 36 1HG2 ILE 36 6.406 1.534 -3.258 293 HG22 ILE 36 2HG2 ILE 36 5.739 0.695 -1.857 294 HG23 ILE 36 3HG2 ILE 36 7.472 1.008 -1.952 295 HD11 ILE 36 3HD1 ILE 36 4.709 2.696 -3.868 296 HD12 ILE 36 1HD1 ILE 36 5.488 4.277 -3.750 297 HD13 ILE 36 2HD1 ILE 36 3.747 4.131 -3.514 298 H ILE 37 H ILE 37 8.820 3.464 0.358 299 HA ILE 37 HA ILE 37 10.363 1.134 0.499 300 HB ILE 37 HB ILE 37 10.860 3.824 1.863 301 HG12 ILE 37 2HG1 ILE 37 10.712 3.919 -0.640 302 HG13 ILE 37 3HG1 ILE 37 12.313 4.351 -0.051 303 HG21 ILE 37 1HG2 ILE 37 13.267 3.172 2.020 304 HG22 ILE 37 2HG2 ILE 37 12.847 1.548 1.469 305 HG23 ILE 37 3HG2 ILE 37 12.224 2.143 3.008 306 HD11 ILE 37 3HD1 ILE 37 11.531 1.687 -1.237 307 HD12 ILE 37 1HD1 ILE 37 13.142 2.138 -0.672 308 HD13 ILE 37 2HD1 ILE 37 12.423 2.972 -2.046 309 H ARG 38 H ARG 38 8.963 2.995 3.194 310 HA ARG 38 HA ARG 38 9.835 1.319 5.315 311 HB2 ARG 38 2HB ARG 38 9.124 3.713 5.555 312 HB3 ARG 38 3HB ARG 38 7.456 3.221 5.265 313 HG2 ARG 38 2HG ARG 38 7.477 1.879 7.331 314 HG3 ARG 38 3HG ARG 38 9.174 2.295 7.602 315 HD2 ARG 38 2HD ARG 38 6.797 4.189 7.634 316 HD3 ARG 38 3HD ARG 38 7.782 3.691 9.018 317 HE ARG 38 HE ARG 38 9.253 5.005 6.898 318 HH11 ARG 38 1HH1 ARG 38 7.554 5.530 9.860 319 HH12 ARG 38 2HH1 ARG 38 8.289 7.072 10.111 320 HH21 ARG 38 1HH2 ARG 38 10.154 6.946 7.239 321 HH22 ARG 38 2HH2 ARG 38 9.754 7.867 8.646 322 H LEU 39 H LEU 39 6.818 1.458 3.447 323 HA LEU 39 HA LEU 39 5.314 -0.448 4.873 324 HB2 LEU 39 2HB LEU 39 5.123 0.404 1.962 325 HB3 LEU 39 3HB LEU 39 3.941 -0.630 2.755 326 HG LEU 39 HG LEU 39 4.551 2.249 3.556 327 HD11 LEU 39 1HD1 LEU 39 3.439 2.150 1.376 328 HD12 LEU 39 2HD1 LEU 39 2.361 2.810 2.604 329 HD13 LEU 39 3HD1 LEU 39 2.153 1.144 2.056 330 HD21 LEU 39 3HD2 LEU 39 2.396 0.369 4.588 331 HD22 LEU 39 1HD2 LEU 39 2.579 2.073 5.015 332 HD23 LEU 39 2HD2 LEU 39 3.819 0.912 5.482 333 H MET 40 H MET 40 7.651 -0.870 2.169 334 HA MET 40 HA MET 40 7.168 -3.613 1.644 335 HB2 MET 40 2HB MET 40 9.716 -1.992 1.288 336 HB3 MET 40 3HB MET 40 9.543 -3.651 0.729 337 HG2 MET 40 2HG MET 40 7.611 -2.873 -0.690 338 HG3 MET 40 3HG MET 40 8.041 -1.220 -0.250 339 HE1 MET 40 3HE MET 40 11.316 -1.552 -0.192 340 HE2 MET 40 1HE MET 40 10.452 -0.151 -0.826 341 HE3 MET 40 2HE MET 40 11.658 -0.971 -1.819 342 H LYS 41 H LYS 41 9.101 -2.035 4.117 343 HA LYS 41 HA LYS 41 10.500 -4.372 5.033 344 HB2 LYS 41 2HB LYS 41 10.000 -1.719 6.456 345 HB3 LYS 41 3HB LYS 41 11.184 -2.938 6.940 346 HG2 LYS 41 2HG LYS 41 12.387 -2.598 4.790 347 HG3 LYS 41 3HG LYS 41 11.212 -1.351 4.344 348 HD2 LYS 41 2HD LYS 41 11.924 0.001 6.305 349 HD3 LYS 41 3HD LYS 41 13.101 -1.247 6.737 350 HE2 LYS 41 2HE LYS 41 14.231 -0.876 4.529 351 HE3 LYS 41 3HE LYS 41 13.102 0.442 4.204 352 HZ1 LYS 41 3HZ LYS 41 13.954 1.585 6.157 353 HZ2 LYS 41 1HZ LYS 41 15.198 1.248 5.061 354 HZ3 LYS 41 2HZ LYS 41 15.029 0.315 6.456 355 H ILE 42 H ILE 42 7.538 -2.684 6.085 356 HA ILE 42 HA ILE 42 7.122 -4.347 8.419 357 HB ILE 42 HB ILE 42 5.151 -2.413 7.109 358 HG12 ILE 42 2HG1 ILE 42 7.258 -1.237 7.719 359 HG13 ILE 42 3HG1 ILE 42 5.924 -0.711 8.735 360 HG21 ILE 42 1HG2 ILE 42 5.192 -3.562 9.930 361 HG22 ILE 42 2HG2 ILE 42 4.036 -3.962 8.658 362 HG23 ILE 42 3HG2 ILE 42 4.064 -2.336 9.344 363 HD11 ILE 42 3HD1 ILE 42 8.110 -2.641 9.534 364 HD12 ILE 42 1HD1 ILE 42 6.763 -2.127 10.558 365 HD13 ILE 42 2HD1 ILE 42 7.959 -0.952 10.018 366 H THR 43 H THR 43 5.620 -4.123 5.200 367 HA THR 43 HA THR 43 3.666 -6.191 5.643 368 HB THR 43 HB THR 43 3.039 -5.939 3.284 369 HG1 THR 43 HG1 THR 43 4.708 -3.900 2.579 370 HG21 THR 43 3HG2 THR 43 3.585 -3.210 4.516 371 HG22 THR 43 1HG2 THR 43 2.169 -4.220 4.833 372 HG23 THR 43 2HG2 THR 43 2.433 -3.549 3.223 373 H GLY 44 H GLY 44 6.648 -5.933 3.670 374 HA2 GLY 44 2HA GLY 44 8.144 -7.770 3.268 375 HA3 GLY 44 3HA GLY 44 6.805 -8.897 3.440 376 H LEU 45 H LEU 45 5.525 -6.462 1.654 377 HA LEU 45 HA LEU 45 5.706 -7.807 -0.890 378 HB2 LEU 45 2HB LEU 45 4.475 -5.149 -0.058 379 HB3 LEU 45 3HB LEU 45 4.346 -5.807 -1.685 380 HG LEU 45 HG LEU 45 3.257 -7.196 0.800 381 HD11 LEU 45 1HD1 LEU 45 2.046 -5.106 0.418 382 HD12 LEU 45 2HD1 LEU 45 1.030 -6.493 0.041 383 HD13 LEU 45 3HD1 LEU 45 1.756 -5.552 -1.266 384 HD21 LEU 45 3HD2 LEU 45 3.794 -8.769 -1.005 385 HD22 LEU 45 1HD2 LEU 45 2.856 -7.811 -2.156 386 HD23 LEU 45 2HD2 LEU 45 2.049 -8.631 -0.814 387 H THR 46 H THR 46 6.099 -6.332 -2.908 388 HA THR 46 HA THR 46 8.792 -5.114 -2.650 389 HB THR 46 HB THR 46 9.041 -5.531 -5.073 390 HG1 THR 46 HG1 THR 46 7.110 -7.033 -5.821 391 HG21 THR 46 3HG2 THR 46 8.013 -8.017 -3.639 392 HG22 THR 46 1HG2 THR 46 9.659 -7.382 -3.542 393 HG23 THR 46 2HG2 THR 46 9.039 -7.997 -5.074 394 H LYS 47 H LYS 47 9.226 -3.518 -4.509 395 HA LYS 47 HA LYS 47 8.066 -1.070 -3.960 396 HB2 LYS 47 2HB LYS 47 10.316 -1.772 -5.121 397 HB3 LYS 47 3HB LYS 47 9.404 -1.690 -6.617 398 HG2 LYS 47 2HG LYS 47 10.529 0.376 -6.424 399 HG3 LYS 47 3HG LYS 47 8.846 0.725 -6.003 400 HD2 LYS 47 2HD LYS 47 9.374 0.815 -3.641 401 HD3 LYS 47 3HD LYS 47 10.994 0.161 -3.914 402 HE2 LYS 47 2HE LYS 47 9.981 2.867 -4.828 403 HE3 LYS 47 3HE LYS 47 11.094 2.567 -3.496 404 HZ1 LYS 47 3HZ LYS 47 12.674 1.674 -5.094 405 HZ2 LYS 47 1HZ LYS 47 12.266 3.271 -5.461 406 HZ3 LYS 47 2HZ LYS 47 11.608 2.004 -6.360 407 H GLY 48 H GLY 48 7.568 -3.080 -6.872 408 HA2 GLY 48 2HA GLY 48 5.602 -1.403 -8.097 409 HA3 GLY 48 3HA GLY 48 6.056 -3.025 -8.591 410 H GLU 49 H GLU 49 5.416 -4.361 -6.121 411 HA GLU 49 HA GLU 49 2.735 -5.061 -6.388 412 HB2 GLU 49 2HB GLU 49 4.779 -5.383 -4.196 413 HB3 GLU 49 3HB GLU 49 3.108 -5.738 -3.783 414 HG2 GLU 49 2HG GLU 49 4.574 -7.061 -6.091 415 HG3 GLU 49 3HG GLU 49 4.506 -7.720 -4.455 416 H ILE 50 H ILE 50 4.141 -2.864 -3.987 417 HA ILE 50 HA ILE 50 1.714 -2.192 -2.694 418 HB ILE 50 HB ILE 50 4.437 -0.848 -2.729 419 HG12 ILE 50 2HG1 ILE 50 3.044 -2.710 -0.745 420 HG13 ILE 50 3HG1 ILE 50 4.425 -3.107 -1.764 421 HG21 ILE 50 1HG2 ILE 50 3.758 0.428 -0.720 422 HG22 ILE 50 2HG2 ILE 50 2.107 -0.165 -0.904 423 HG23 ILE 50 3HG2 ILE 50 2.808 0.884 -2.136 424 HD11 ILE 50 3HD1 ILE 50 4.383 -1.199 0.565 425 HD12 ILE 50 1HD1 ILE 50 5.774 -1.484 -0.482 426 HD13 ILE 50 2HD1 ILE 50 5.124 -2.796 0.499 427 H LYS 51 H LYS 51 3.534 -0.482 -5.287 428 HA LYS 51 HA LYS 51 1.824 1.739 -5.593 429 HB2 LYS 51 2HB LYS 51 3.508 0.297 -7.672 430 HB3 LYS 51 3HB LYS 51 2.648 1.805 -7.999 431 HG2 LYS 51 2HG LYS 51 3.954 2.857 -6.111 432 HG3 LYS 51 3HG LYS 51 4.915 1.372 -6.028 433 HD2 LYS 51 2HD LYS 51 5.639 1.698 -8.369 434 HD3 LYS 51 3HD LYS 51 4.638 3.150 -8.493 435 HE2 LYS 51 2HE LYS 51 6.982 3.755 -8.134 436 HE3 LYS 51 3HE LYS 51 6.018 4.228 -6.732 437 HZ1 LYS 51 3HZ LYS 51 7.663 1.760 -6.928 438 HZ2 LYS 51 1HZ LYS 51 6.789 2.271 -5.570 439 HZ3 LYS 51 2HZ LYS 51 8.105 3.178 -6.110 440 H LYS 52 H LYS 52 1.627 -1.498 -7.061 441 HA LYS 52 HA LYS 52 -0.621 -1.050 -8.718 442 HB2 LYS 52 2HB LYS 52 0.669 -3.564 -7.617 443 HB3 LYS 52 3HB LYS 52 -0.848 -3.674 -8.506 444 HG2 LYS 52 2HG LYS 52 1.712 -2.447 -9.600 445 HG3 LYS 52 3HG LYS 52 1.146 -4.091 -9.932 446 HD2 LYS 52 2HD LYS 52 -0.910 -3.165 -10.991 447 HD3 LYS 52 3HD LYS 52 -0.348 -1.524 -10.652 448 HE2 LYS 52 2HE LYS 52 1.079 -3.521 -12.449 449 HE3 LYS 52 3HE LYS 52 0.041 -2.206 -13.002 450 HZ1 LYS 52 3HZ LYS 52 1.571 -0.624 -11.992 451 HZ2 LYS 52 1HZ LYS 52 2.372 -1.597 -13.123 452 HZ3 LYS 52 2HZ LYS 52 2.562 -1.887 -11.471 453 H TRP 53 H TRP 53 -0.416 -1.898 -5.266 454 HA TRP 53 HA TRP 53 -3.177 -2.573 -4.965 455 HB2 TRP 53 2HB TRP 53 -1.414 -3.157 -3.258 456 HB3 TRP 53 3HB TRP 53 -1.338 -1.461 -2.795 457 HD1 TRP 53 HD1 TRP 53 -3.512 -4.586 -2.395 458 HE1 TRP 53 HE1 TRP 53 -5.335 -4.142 -0.651 459 HE3 TRP 53 HE3 TRP 53 -2.872 0.454 -1.765 460 HZ2 TRP 53 HZ2 TRP 53 -6.383 -1.977 0.791 461 HZ3 TRP 53 HZ3 TRP 53 -4.342 1.632 -0.197 462 HH2 TRP 53 HH2 TRP 53 -6.068 0.445 1.059 463 H PHE 54 H PHE 54 -1.387 0.500 -4.352 464 HA PHE 54 HA PHE 54 -3.672 1.982 -3.496 465 HB2 PHE 54 2HB PHE 54 -0.923 2.871 -4.458 466 HB3 PHE 54 3HB PHE 54 -2.155 4.020 -3.942 467 HD1 PHE 54 HD2 PHE 54 -3.054 3.886 -1.577 468 HD2 PHE 54 HD1 PHE 54 0.417 1.732 -2.824 469 HE1 PHE 54 HE2 PHE 54 -2.384 3.582 0.760 470 HE2 PHE 54 HE1 PHE 54 1.064 1.438 -0.471 471 HZ PHE 54 HZ PHE 54 -0.335 2.356 1.313 472 H SER 55 H SER 55 -2.162 1.543 -6.655 473 HA SER 55 HA SER 55 -3.620 3.512 -8.101 474 HB2 SER 55 2HB SER 55 -1.539 2.542 -8.967 475 HB3 SER 55 3HB SER 55 -2.282 0.949 -9.073 476 HG SER 55 HG SER 55 -2.679 3.229 -10.659 477 H ASP 56 H ASP 56 -4.137 -0.009 -7.674 478 HA ASP 56 HA ASP 56 -6.435 -0.084 -9.409 479 HB2 ASP 56 2HB ASP 56 -4.697 -1.989 -8.918 480 HB3 ASP 56 3HB ASP 56 -5.670 -2.311 -7.492 481 H THR 57 H THR 57 -6.005 -0.374 -5.857 482 HA THR 57 HA THR 57 -8.687 -0.727 -5.094 483 HB THR 57 HB THR 57 -6.456 0.618 -3.501 484 HG1 THR 57 HG1 THR 57 -5.758 -1.365 -3.395 485 HG21 THR 57 3HG2 THR 57 -9.078 -0.544 -2.468 486 HG22 THR 57 1HG2 THR 57 -8.651 1.171 -2.489 487 HG23 THR 57 2HG2 THR 57 -7.747 0.048 -1.471 488 H ARG 58 H ARG 58 -6.888 2.263 -5.754 489 HA ARG 58 HA ARG 58 -8.715 4.214 -4.988 490 HB2 ARG 58 2HB ARG 58 -6.286 4.360 -6.007 491 HB3 ARG 58 3HB ARG 58 -7.105 4.471 -7.555 492 HG2 ARG 58 2HG ARG 58 -7.645 6.375 -5.258 493 HG3 ARG 58 3HG ARG 58 -6.370 6.647 -6.443 494 HD2 ARG 58 2HD ARG 58 -9.343 6.434 -7.057 495 HD3 ARG 58 3HD ARG 58 -8.408 7.932 -6.967 496 HE ARG 58 HE ARG 58 -7.563 5.904 -8.914 497 HH11 ARG 58 1HH1 ARG 58 -9.120 8.944 -8.393 498 HH12 ARG 58 2HH1 ARG 58 -9.033 9.386 -10.062 499 HH21 ARG 58 1HH2 ARG 58 -7.486 6.488 -11.045 500 HH22 ARG 58 2HH2 ARG 58 -8.135 8.015 -11.537 501 H TYR 59 H TYR 59 -8.576 2.343 -8.011 502 HA TYR 59 HA TYR 59 -10.961 3.493 -9.165 503 HB2 TYR 59 2HB TYR 59 -9.189 2.610 -10.620 504 HB3 TYR 59 3HB TYR 59 -9.365 1.007 -9.911 505 HD1 TYR 59 HD2 TYR 59 -11.109 3.562 -12.011 506 HD2 TYR 59 HD1 TYR 59 -11.049 -0.525 -10.738 507 HE1 TYR 59 HE2 TYR 59 -12.839 3.017 -13.669 508 HE2 TYR 59 HE1 TYR 59 -12.785 -1.064 -12.381 509 HH TYR 59 HH TYR 59 -14.571 0.096 -13.629 510 H ASN 60 H ASN 60 -10.251 0.613 -7.186 511 HA ASN 60 HA ASN 60 -12.736 -0.738 -7.570 512 HB2 ASN 60 2HB ASN 60 -10.696 -0.986 -5.314 513 HB3 ASN 60 3HB ASN 60 -12.072 -2.068 -5.515 514 HD21 ASN 60 1HD2 ASN 60 -9.202 -2.670 -5.598 515 HD22 ASN 60 2HD2 ASN 60 -8.913 -3.395 -7.139 516 H GLN 61 H GLN 61 -11.805 1.879 -5.417 517 HA GLN 61 HA GLN 61 -14.067 1.769 -3.656 518 HB2 GLN 61 2HB GLN 61 -12.299 4.150 -4.374 519 HB3 GLN 61 3HB GLN 61 -13.459 4.111 -3.048 520 HG2 GLN 61 2HG GLN 61 -10.961 2.411 -3.290 521 HG3 GLN 61 3HG GLN 61 -11.175 3.794 -2.229 522 HE21 GLN 61 1HE2 GLN 61 -13.898 3.007 -1.394 523 HE22 GLN 61 2HE2 GLN 61 -13.693 1.656 -0.346 524 H ARG 62 H ARG 62 -13.618 2.995 -6.906 525 HA ARG 62 HA ARG 62 -16.018 4.553 -7.118 526 HB2 ARG 62 2HB ARG 62 -14.453 3.095 -9.295 527 HB3 ARG 62 3HB ARG 62 -15.742 4.264 -9.587 528 HG2 ARG 62 2HG ARG 62 -14.372 6.031 -8.547 529 HG3 ARG 62 3HG ARG 62 -13.084 4.856 -8.246 530 HD2 ARG 62 2HD ARG 62 -12.787 4.504 -10.637 531 HD3 ARG 62 3HD ARG 62 -14.166 5.548 -11.001 532 HE ARG 62 HE ARG 62 -12.327 7.051 -9.541 533 HH11 ARG 62 1HH1 ARG 62 -12.417 5.508 -12.640 534 HH12 ARG 62 2HH1 ARG 62 -11.419 6.710 -13.375 535 HH21 ARG 62 1HH2 ARG 62 -11.085 8.574 -10.519 536 HH22 ARG 62 2HH2 ARG 62 -10.681 8.417 -12.192 537 H ASN 63 H ASN 63 -15.238 1.132 -7.573 538 HA ASN 63 HA ASN 63 -17.882 0.491 -8.641 539 HB2 ASN 63 2HB ASN 63 -15.683 -0.557 -9.478 540 HB3 ASN 63 3HB ASN 63 -15.634 -1.465 -7.972 541 HD21 ASN 63 1HD2 ASN 63 -15.873 -2.395 -10.759 542 HD22 ASN 63 2HD2 ASN 63 -17.304 -3.353 -10.819 543 H SER 64 H SER 64 -19.532 -0.284 -7.433 544 HA SER 64 HA SER 64 -19.512 -0.177 -4.595 545 HB2 SER 64 2HB SER 64 -21.857 -0.986 -4.750 546 HB3 SER 64 3HB SER 64 -21.533 0.316 -5.891 547 HG SER 64 HG SER 64 -22.718 -1.511 -6.755 548 H LYS 65 H LYS 65 -18.887 -2.784 -6.793 549 HA LYS 65 HA LYS 65 -19.340 -4.943 -4.891 550 HB2 LYS 65 2HB LYS 65 -18.117 -4.967 -7.686 551 HB3 LYS 65 3HB LYS 65 -18.518 -6.404 -6.740 552 HG2 LYS 65 2HG LYS 65 -20.904 -5.787 -6.790 553 HG3 LYS 65 3HG LYS 65 -20.513 -4.326 -7.709 554 HD2 LYS 65 2HD LYS 65 -19.668 -5.719 -9.570 555 HD3 LYS 65 3HD LYS 65 -20.026 -7.185 -8.648 556 HE2 LYS 65 2HE LYS 65 -22.428 -6.631 -8.689 557 HE3 LYS 65 3HE LYS 65 -22.080 -5.145 -9.577 558 HZ1 LYS 65 3HZ LYS 65 -22.827 -6.932 -11.018 559 HZ2 LYS 65 1HZ LYS 65 -21.516 -7.889 -10.548 560 HZ3 LYS 65 2HZ LYS 65 -21.255 -6.455 -11.403 561 H SER 66 H SER 66 -17.678 -3.490 -3.511 562 HA SER 66 HA SER 66 -14.909 -4.328 -3.840 563 HB2 SER 66 2HB SER 66 -16.225 -2.836 -1.524 564 HB3 SER 66 3HB SER 66 -14.492 -3.107 -1.721 565 HG SER 66 HG SER 66 -15.324 -2.016 -3.972 566 H ASN 67 H ASN 67 -14.887 -6.530 -3.712 567 HA ASN 67 HA ASN 67 -16.227 -8.055 -1.650 568 HB2 ASN 67 2HB ASN 67 -14.141 -8.945 -3.692 569 HB3 ASN 67 3HB ASN 67 -15.164 -10.006 -2.721 570 HD21 ASN 67 1HD2 ASN 67 -15.106 -7.778 -5.419 571 HD22 ASN 67 2HD2 ASN 67 -16.658 -8.195 -6.044 572 H GLN 68 H GLN 68 -13.263 -6.381 -1.801 573 HA GLN 68 HA GLN 68 -11.690 -7.947 0.003 574 HB2 GLN 68 2HB GLN 68 -10.213 -5.902 0.081 575 HB3 GLN 68 3HB GLN 68 -10.552 -6.499 -1.539 576 HG2 GLN 68 2HG GLN 68 -12.290 -4.697 -1.776 577 HG3 GLN 68 3HG GLN 68 -11.776 -4.052 -0.217 578 HE21 GLN 68 1HE2 GLN 68 -9.693 -3.062 -0.084 579 HE22 GLN 68 2HE2 GLN 68 -8.855 -2.533 -1.497 580 H CYS 69 H CYS 69 -12.667 -8.391 1.900 581 HA CYS 69 HA CYS 69 -13.150 -8.242 4.109 582 HB2 CYS 69 2HB CYS 69 -11.134 -6.725 4.121 583 HB3 CYS 69 3HB CYS 69 -12.215 -5.346 3.969 584 HG CYS 69 HG CYS 69 -11.473 -5.296 6.568 585 H LEU 70 H LEU 70 -14.397 -6.672 5.806 586 HA LEU 70 HA LEU 70 -16.148 -5.480 6.532 587 HB2 LEU 70 2HB LEU 70 -15.556 -3.902 4.588 588 HB3 LEU 70 3HB LEU 70 -16.853 -4.651 3.688 589 HG LEU 70 HG LEU 70 -17.427 -2.421 4.710 590 HD11 LEU 70 1HD1 LEU 70 -19.239 -3.927 4.115 591 HD12 LEU 70 2HD1 LEU 70 -19.649 -2.973 5.539 592 HD13 LEU 70 3HD1 LEU 70 -19.180 -4.668 5.716 593 HD21 LEU 70 3HD2 LEU 70 -17.842 -2.220 7.119 594 HD22 LEU 70 1HD2 LEU 70 -16.155 -2.609 6.789 595 HD23 LEU 70 2HD2 LEU 70 -17.249 -3.863 7.370 596 H HIS 71 H HIS 71 -17.354 -6.786 3.406 597 HA HIS 71 HA HIS 71 -19.946 -7.407 4.402 598 HB2 HIS 71 2HB HIS 71 -18.593 -8.472 1.885 599 HB3 HIS 71 3HB HIS 71 -20.325 -8.460 2.212 600 HD1 HIS 71 HD1 HIS 71 -18.183 -6.784 0.107 601 HD2 HIS 71 HD2 HIS 71 -20.906 -5.396 2.923 602 HE1 HIS 71 HE1 HIS 71 -18.712 -4.431 -0.582 603 HE2 HIS 71 HE2 HIS 71 -20.196 -3.560 1.252 604 H LEU 72 H LEU 72 -20.531 -9.073 5.682 605 HA LEU 72 HA LEU 72 -19.267 -11.718 5.462 606 HB2 LEU 72 2HB LEU 72 -19.046 -11.812 8.006 607 HB3 LEU 72 3HB LEU 72 -17.897 -10.804 7.149 608 HG LEU 72 HG LEU 72 -19.335 -8.781 7.813 609 HD11 LEU 72 1HD1 LEU 72 -20.629 -10.738 9.731 610 HD12 LEU 72 2HD1 LEU 72 -21.423 -9.881 8.407 611 HD13 LEU 72 3HD1 LEU 72 -20.791 -8.978 9.780 612 HD21 LEU 72 3HD2 LEU 72 -17.990 -10.345 10.044 613 HD22 LEU 72 1HD2 LEU 72 -18.356 -8.616 10.068 614 HD23 LEU 72 2HD2 LEU 72 -17.200 -9.253 8.904 615 H ASN 73 H ASN 73 -20.412 -13.211 7.267 616 HA ASN 73 HA ASN 73 -23.356 -12.912 7.001 617 HB2 ASN 73 2HB ASN 73 -22.231 -14.612 5.442 618 HB3 ASN 73 3HB ASN 73 -21.797 -15.540 6.869 619 HD21 ASN 73 1HD2 ASN 73 -23.405 -16.407 4.672 620 HD22 ASN 73 2HD2 ASN 73 -24.954 -16.819 5.311 621 H ASN 74 H ASN 74 -24.585 -13.513 8.808 622 HA ASN 74 HA ASN 74 -23.327 -13.535 11.400 623 HB2 ASN 74 2HB ASN 74 -25.477 -12.381 11.031 624 HB3 ASN 74 3HB ASN 74 -26.248 -13.900 10.595 625 HD21 ASN 74 1HD2 ASN 74 -27.784 -13.812 12.245 626 HD22 ASN 74 2HD2 ASN 74 -27.379 -13.977 13.915 Start of MODEL 3 1 H1 SER 1 1H SER 1 13.249 -14.830 -25.955 2 H2 SER 1 2H SER 1 12.347 -14.350 -24.606 3 H3 SER 1 3H SER 1 13.531 -15.553 -24.451 4 HA SER 1 HA SER 1 15.276 -14.003 -24.928 5 HB2 SER 1 2HB SER 1 13.053 -11.917 -25.138 6 HB3 SER 1 3HB SER 1 14.785 -11.590 -25.255 7 HG SER 1 HG SER 1 13.829 -11.770 -27.318 8 H HIS 2 H HIS 2 16.253 -13.899 -22.959 9 HA HIS 2 HA HIS 2 14.821 -13.783 -20.491 10 HB2 HIS 2 2HB HIS 2 17.808 -13.501 -21.018 11 HB3 HIS 2 3HB HIS 2 17.089 -13.706 -19.426 12 HD1 HIS 2 HD1 HIS 2 18.663 -15.599 -22.006 13 HD2 HIS 2 HD2 HIS 2 15.569 -16.329 -19.331 14 HE1 HIS 2 HE1 HIS 2 18.482 -18.094 -21.859 15 HE2 HIS 2 HE2 HIS 2 16.527 -18.508 -20.339 16 H MET 3 H MET 3 14.341 -12.113 -19.181 17 HA MET 3 HA MET 3 15.864 -9.609 -19.274 18 HB2 MET 3 2HB MET 3 13.798 -8.218 -19.236 19 HB3 MET 3 3HB MET 3 13.985 -9.109 -20.737 20 HG2 MET 3 2HG MET 3 12.333 -10.790 -19.867 21 HG3 MET 3 3HG MET 3 12.070 -9.738 -18.480 22 HE1 MET 3 3HE MET 3 10.976 -8.599 -22.844 23 HE2 MET 3 1HE MET 3 11.650 -10.160 -22.385 24 HE3 MET 3 2HE MET 3 12.652 -8.709 -22.300 25 HA PRO 4 HA PRO 4 15.860 -10.452 -14.840 26 HB2 PRO 4 2HB PRO 4 16.416 -7.495 -14.629 27 HB3 PRO 4 3HB PRO 4 17.293 -8.859 -13.917 28 HG2 PRO 4 2HG PRO 4 18.308 -7.612 -16.033 29 HG3 PRO 4 3HG PRO 4 18.374 -9.387 -15.943 30 HD2 PRO 4 2HD PRO 4 16.482 -7.639 -17.526 31 HD3 PRO 4 3HD PRO 4 17.321 -9.127 -18.021 32 H ASP 5 H ASP 5 14.860 -9.795 -12.827 33 HA ASP 5 HA ASP 5 13.250 -9.216 -11.403 34 HB2 ASP 5 2HB ASP 5 12.338 -7.123 -13.419 35 HB3 ASP 5 3HB ASP 5 11.839 -7.215 -11.731 36 H SER 6 H SER 6 11.422 -10.215 -10.826 37 HA SER 6 HA SER 6 9.755 -11.610 -12.718 38 HB2 SER 6 2HB SER 6 8.448 -12.311 -10.712 39 HB3 SER 6 3HB SER 6 10.175 -12.567 -10.480 40 HG SER 6 HG SER 6 8.591 -10.457 -9.430 41 H PHE 7 H PHE 7 8.013 -10.771 -13.766 42 HA PHE 7 HA PHE 7 7.341 -8.002 -13.512 43 HB2 PHE 7 2HB PHE 7 7.443 -9.012 -15.728 44 HB3 PHE 7 3HB PHE 7 6.229 -10.209 -15.297 45 HD1 PHE 7 HD1 PHE 7 6.616 -6.460 -15.490 46 HD2 PHE 7 HD2 PHE 7 4.034 -9.827 -16.057 47 HE1 PHE 7 HE1 PHE 7 4.861 -4.978 -16.376 48 HE2 PHE 7 HE2 PHE 7 2.289 -8.334 -16.943 49 HZ PHE 7 HZ PHE 7 2.701 -5.909 -17.101 50 H GLY 8 H GLY 8 6.478 -7.897 -11.340 51 HA2 GLY 8 2HA GLY 8 4.657 -7.141 -10.162 52 HA3 GLY 8 3HA GLY 8 3.636 -7.560 -11.514 53 H ILE 9 H ILE 9 3.347 -10.098 -11.675 54 HA ILE 9 HA ILE 9 1.695 -10.647 -9.429 55 HB ILE 9 HB ILE 9 2.151 -12.457 -11.848 56 HG12 ILE 9 2HG1 ILE 9 -0.183 -11.444 -12.560 57 HG13 ILE 9 3HG1 ILE 9 0.236 -10.114 -11.492 58 HG21 ILE 9 1HG2 ILE 9 -0.051 -13.436 -11.266 59 HG22 ILE 9 2HG2 ILE 9 -0.138 -12.397 -9.840 60 HG23 ILE 9 3HG2 ILE 9 1.115 -13.632 -9.959 61 HD11 ILE 9 3HD1 ILE 9 1.799 -11.013 -13.909 62 HD12 ILE 9 1HD1 ILE 9 2.213 -9.652 -12.860 63 HD13 ILE 9 2HD1 ILE 9 0.729 -9.616 -13.814 64 H ARG 10 H ARG 10 3.191 -11.068 -7.679 65 HA ARG 10 HA ARG 10 4.111 -13.871 -7.591 66 HB2 ARG 10 2HB ARG 10 5.387 -11.874 -6.493 67 HB3 ARG 10 3HB ARG 10 4.141 -11.915 -5.252 68 HG2 ARG 10 2HG ARG 10 4.751 -14.280 -4.758 69 HG3 ARG 10 3HG ARG 10 6.019 -14.193 -5.979 70 HD2 ARG 10 2HD ARG 10 7.040 -13.912 -3.816 71 HD3 ARG 10 3HD ARG 10 7.096 -12.352 -4.640 72 HE ARG 10 HE ARG 10 5.168 -13.061 -2.503 73 HH11 ARG 10 1HH1 ARG 10 7.109 -10.685 -4.070 74 HH12 ARG 10 2HH1 ARG 10 6.659 -9.440 -2.971 75 HH21 ARG 10 1HH2 ARG 10 4.664 -11.462 -1.065 76 HH22 ARG 10 2HH2 ARG 10 5.342 -9.891 -1.262 77 H ALA 11 H ALA 11 1.317 -12.069 -7.195 78 HA ALA 11 HA ALA 11 -0.822 -12.649 -6.925 79 HB1 ALA 11 3HB ALA 11 -1.534 -14.972 -6.716 80 HB2 ALA 11 1HB ALA 11 0.111 -15.465 -6.308 81 HB3 ALA 11 2HB ALA 11 -0.247 -14.823 -7.913 82 H LYS 12 H LYS 12 0.698 -14.631 -4.331 83 HA LYS 12 HA LYS 12 -1.473 -14.233 -2.542 84 HB2 LYS 12 2HB LYS 12 1.308 -15.270 -1.874 85 HB3 LYS 12 3HB LYS 12 -0.154 -15.517 -0.923 86 HG2 LYS 12 2HG LYS 12 -1.118 -16.891 -2.722 87 HG3 LYS 12 3HG LYS 12 0.302 -16.595 -3.729 88 HD2 LYS 12 2HD LYS 12 0.500 -18.808 -2.731 89 HD3 LYS 12 3HD LYS 12 1.722 -17.756 -2.014 90 HE2 LYS 12 2HE LYS 12 0.658 -19.167 -0.301 91 HE3 LYS 12 3HE LYS 12 0.294 -17.465 -0.010 92 HZ1 LYS 12 3HZ LYS 12 -1.643 -18.883 0.266 93 HZ2 LYS 12 1HZ LYS 12 -1.523 -19.408 -1.337 94 HZ3 LYS 12 2HZ LYS 12 -1.873 -17.787 -0.998 95 H LYS 13 H LYS 13 -1.905 -12.326 -1.579 96 HA LYS 13 HA LYS 13 0.228 -10.943 -0.027 97 HB2 LYS 13 2HB LYS 13 -2.287 -9.728 -1.269 98 HB3 LYS 13 3HB LYS 13 -1.163 -8.865 -0.227 99 HG2 LYS 13 2HG LYS 13 0.624 -9.178 -1.931 100 HG3 LYS 13 3HG LYS 13 -0.544 -9.976 -2.990 101 HD2 LYS 13 2HD LYS 13 -1.871 -7.925 -3.147 102 HD3 LYS 13 3HD LYS 13 -0.847 -7.124 -1.953 103 HE2 LYS 13 2HE LYS 13 -0.309 -6.379 -4.240 104 HE3 LYS 13 3HE LYS 13 1.058 -7.215 -3.501 105 HZ1 LYS 13 3HZ LYS 13 0.551 -9.167 -4.759 106 HZ2 LYS 13 1HZ LYS 13 0.652 -7.853 -5.816 107 HZ3 LYS 13 2HZ LYS 13 -0.861 -8.471 -5.383 108 H THR 14 H THR 14 -0.064 -11.358 2.126 109 HA THR 14 HA THR 14 -2.499 -12.555 3.116 110 HB THR 14 HB THR 14 -1.379 -12.769 5.265 111 HG1 THR 14 HG1 THR 14 0.106 -11.415 5.857 112 HG21 THR 14 3HG2 THR 14 -0.693 -14.408 3.548 113 HG22 THR 14 1HG2 THR 14 0.648 -14.034 4.633 114 HG23 THR 14 2HG2 THR 14 0.597 -13.325 3.019 115 H LYS 15 H LYS 15 -3.395 -11.755 5.321 116 HA LYS 15 HA LYS 15 -4.899 -9.472 4.615 117 HB2 LYS 15 2HB LYS 15 -5.841 -11.338 5.899 118 HB3 LYS 15 3HB LYS 15 -4.773 -10.987 7.249 119 HG2 LYS 15 2HG LYS 15 -7.038 -10.192 7.711 120 HG3 LYS 15 3HG LYS 15 -5.914 -8.833 7.617 121 HD2 LYS 15 2HD LYS 15 -6.679 -8.433 5.251 122 HD3 LYS 15 3HD LYS 15 -7.869 -9.722 5.457 123 HE2 LYS 15 2HE LYS 15 -7.740 -7.142 7.052 124 HE3 LYS 15 3HE LYS 15 -8.890 -7.508 5.768 125 HZ1 LYS 15 3HZ LYS 15 -8.675 -8.889 8.390 126 HZ2 LYS 15 1HZ LYS 15 -9.724 -9.347 7.142 127 HZ3 LYS 15 2HZ LYS 15 -9.909 -7.843 7.891 128 H GLU 16 H GLU 16 -2.541 -9.886 7.300 129 HA GLU 16 HA GLU 16 -2.681 -7.241 8.271 130 HB2 GLU 16 2HB GLU 16 -0.504 -7.685 9.419 131 HB3 GLU 16 3HB GLU 16 -1.738 -8.887 9.737 132 HG2 GLU 16 2HG GLU 16 0.289 -9.421 7.576 133 HG3 GLU 16 3HG GLU 16 0.774 -9.578 9.261 134 H GLN 17 H GLN 17 -0.825 -8.545 5.565 135 HA GLN 17 HA GLN 17 0.921 -6.315 5.183 136 HB2 GLN 17 2HB GLN 17 -0.153 -8.302 3.132 137 HB3 GLN 17 3HB GLN 17 1.158 -7.159 2.835 138 HG2 GLN 17 2HG GLN 17 2.473 -8.271 4.648 139 HG3 GLN 17 3HG GLN 17 1.180 -9.457 4.811 140 HE21 GLN 17 1HE2 GLN 17 3.803 -8.349 2.776 141 HE22 GLN 17 2HE2 GLN 17 3.855 -9.740 1.758 142 H LEU 18 H LEU 18 -2.206 -7.155 3.682 143 HA LEU 18 HA LEU 18 -2.570 -4.786 2.174 144 HB2 LEU 18 2HB LEU 18 -4.634 -6.727 3.278 145 HB3 LEU 18 3HB LEU 18 -4.962 -5.511 2.051 146 HG LEU 18 HG LEU 18 -3.059 -7.870 1.726 147 HD11 LEU 18 1HD1 LEU 18 -5.399 -8.592 1.763 148 HD12 LEU 18 2HD1 LEU 18 -4.704 -8.779 0.157 149 HD13 LEU 18 3HD1 LEU 18 -5.796 -7.432 0.492 150 HD21 LEU 18 3HD2 LEU 18 -2.922 -7.197 -0.649 151 HD22 LEU 18 1HD2 LEU 18 -2.280 -5.953 0.420 152 HD23 LEU 18 2HD2 LEU 18 -3.881 -5.754 -0.301 153 H ALA 19 H ALA 19 -3.237 -5.536 5.533 154 HA ALA 19 HA ALA 19 -5.114 -3.516 6.171 155 HB1 ALA 19 3HB ALA 19 -3.120 -4.911 7.993 156 HB2 ALA 19 1HB ALA 19 -4.738 -5.493 7.590 157 HB3 ALA 19 2HB ALA 19 -4.541 -4.010 8.523 158 H GLU 20 H GLU 20 -1.554 -3.586 6.519 159 HA GLU 20 HA GLU 20 -1.217 -0.998 7.635 160 HB2 GLU 20 2HB GLU 20 0.826 -2.442 5.899 161 HB3 GLU 20 3HB GLU 20 1.144 -1.230 7.136 162 HG2 GLU 20 2HG GLU 20 0.224 -4.080 7.530 163 HG3 GLU 20 3HG GLU 20 1.767 -3.378 7.992 164 H LEU 21 H LEU 21 -1.257 -2.155 4.307 165 HA LEU 21 HA LEU 21 -0.584 0.250 2.977 166 HB2 LEU 21 2HB LEU 21 -2.236 -2.120 2.029 167 HB3 LEU 21 3HB LEU 21 -1.641 -0.844 0.980 168 HG LEU 21 HG LEU 21 0.103 -2.801 2.531 169 HD11 LEU 21 1HD1 LEU 21 0.656 -3.765 0.334 170 HD12 LEU 21 2HD1 LEU 21 -0.505 -2.682 -0.440 171 HD13 LEU 21 3HD1 LEU 21 -1.064 -3.912 0.696 172 HD21 LEU 21 3HD2 LEU 21 0.921 -0.647 0.544 173 HD22 LEU 21 1HD2 LEU 21 1.993 -1.857 1.260 174 HD23 LEU 21 2HD2 LEU 21 1.237 -0.639 2.281 175 H LYS 22 H LYS 22 -3.723 -1.042 4.114 176 HA LYS 22 HA LYS 22 -5.327 0.954 2.806 177 HB2 LYS 22 2HB LYS 22 -6.032 -1.013 5.014 178 HB3 LYS 22 3HB LYS 22 -7.201 0.104 4.311 179 HG2 LYS 22 2HG LYS 22 -6.682 -0.904 2.055 180 HG3 LYS 22 3HG LYS 22 -5.713 -2.117 2.883 181 HD2 LYS 22 2HD LYS 22 -7.728 -2.891 4.096 182 HD3 LYS 22 3HD LYS 22 -8.696 -1.669 3.264 183 HE2 LYS 22 2HE LYS 22 -8.055 -2.743 1.075 184 HE3 LYS 22 3HE LYS 22 -7.245 -4.021 1.983 185 HZ1 LYS 22 3HZ LYS 22 -9.407 -4.523 3.014 186 HZ2 LYS 22 1HZ LYS 22 -9.421 -4.728 1.336 187 HZ3 LYS 22 2HZ LYS 22 -10.138 -3.366 2.026 188 H VAL 23 H VAL 23 -3.951 0.734 6.080 189 HA VAL 23 HA VAL 23 -5.152 3.089 7.151 190 HB VAL 23 HB VAL 23 -2.404 1.909 7.817 191 HG11 VAL 23 1HG1 VAL 23 -2.578 4.227 8.633 192 HG12 VAL 23 2HG1 VAL 23 -2.607 3.103 9.988 193 HG13 VAL 23 3HG1 VAL 23 -4.106 3.855 9.436 194 HG21 VAL 23 3HG2 VAL 23 -5.103 1.413 9.138 195 HG22 VAL 23 1HG2 VAL 23 -3.553 0.800 9.722 196 HG23 VAL 23 2HG2 VAL 23 -4.187 0.259 8.169 197 H SER 24 H SER 24 -2.123 2.555 5.363 198 HA SER 24 HA SER 24 -1.260 5.243 5.137 199 HB2 SER 24 2HB SER 24 0.228 3.331 4.614 200 HB3 SER 24 3HB SER 24 -0.771 2.921 3.219 201 HG SER 24 HG SER 24 0.244 4.389 2.115 202 H TYR 25 H TYR 25 -3.543 3.334 3.206 203 HA TYR 25 HA TYR 25 -3.692 5.075 0.958 204 HB2 TYR 25 2HB TYR 25 -4.271 2.725 0.707 205 HB3 TYR 25 3HB TYR 25 -5.559 2.860 1.900 206 HD1 TYR 25 HD1 TYR 25 -4.506 4.174 -1.459 207 HD2 TYR 25 HD2 TYR 25 -7.772 3.349 1.176 208 HE1 TYR 25 HE1 TYR 25 -6.092 4.819 -3.220 209 HE2 TYR 25 HE2 TYR 25 -9.344 3.973 -0.592 210 HH TYR 25 HH TYR 25 -9.334 5.433 -2.597 211 H LEU 26 H LEU 26 -5.867 4.626 3.760 212 HA LEU 26 HA LEU 26 -7.847 6.512 3.022 213 HB2 LEU 26 2HB LEU 26 -7.051 5.545 5.793 214 HB3 LEU 26 3HB LEU 26 -8.522 6.428 5.431 215 HG LEU 26 HG LEU 26 -7.840 3.653 4.380 216 HD11 LEU 26 1HD1 LEU 26 -9.630 2.838 5.846 217 HD12 LEU 26 2HD1 LEU 26 -9.851 4.464 6.496 218 HD13 LEU 26 3HD1 LEU 26 -8.336 3.598 6.769 219 HD21 LEU 26 3HD2 LEU 26 -9.215 4.866 2.755 220 HD22 LEU 26 1HD2 LEU 26 -10.387 5.266 4.014 221 HD23 LEU 26 2HD2 LEU 26 -10.153 3.588 3.522 222 H LYS 27 H LYS 27 -4.826 6.868 4.799 223 HA LYS 27 HA LYS 27 -5.129 9.644 5.504 224 HB2 LYS 27 2HB LYS 27 -3.619 8.013 6.705 225 HB3 LYS 27 3HB LYS 27 -2.594 7.953 5.274 226 HG2 LYS 27 2HG LYS 27 -2.252 10.470 5.557 227 HG3 LYS 27 3HG LYS 27 -3.050 10.316 7.124 228 HD2 LYS 27 2HD LYS 27 -0.476 8.946 6.255 229 HD3 LYS 27 3HD LYS 27 -0.614 10.276 7.405 230 HE2 LYS 27 2HE LYS 27 -1.903 8.780 8.929 231 HE3 LYS 27 3HE LYS 27 -1.676 7.449 7.791 232 HZ1 LYS 27 3HZ LYS 27 0.706 7.640 8.103 233 HZ2 LYS 27 1HZ LYS 27 -0.066 7.387 9.584 234 HZ3 LYS 27 2HZ LYS 27 0.492 8.927 9.176 235 H ASN 28 H ASN 28 -3.423 7.889 2.919 236 HA ASN 28 HA ASN 28 -3.271 10.222 1.176 237 HB2 ASN 28 2HB ASN 28 -0.757 9.746 0.758 238 HB3 ASN 28 3HB ASN 28 -1.182 10.571 2.248 239 HD21 ASN 28 1HD2 ASN 28 -0.137 7.493 0.906 240 HD22 ASN 28 2HD2 ASN 28 0.467 6.848 2.388 241 H GLN 29 H GLN 29 -4.341 9.393 -0.522 242 HA GLN 29 HA GLN 29 -4.292 6.649 -1.356 243 HB2 GLN 29 2HB GLN 29 -5.348 9.093 -2.849 244 HB3 GLN 29 3HB GLN 29 -5.636 7.427 -3.310 245 HG2 GLN 29 2HG GLN 29 -7.620 8.215 -2.242 246 HG3 GLN 29 3HG GLN 29 -6.851 7.080 -1.137 247 HE21 GLN 29 1HE2 GLN 29 -7.761 7.877 0.745 248 HE22 GLN 29 2HE2 GLN 29 -7.453 9.454 1.372 249 H PHE 30 H PHE 30 -2.397 9.445 -2.104 250 HA PHE 30 HA PHE 30 -0.768 7.962 -4.092 251 HB2 PHE 30 2HB PHE 30 -1.339 10.966 -4.088 252 HB3 PHE 30 3HB PHE 30 -0.347 10.105 -5.260 253 HD1 PHE 30 HD1 PHE 30 -3.810 10.823 -4.170 254 HD2 PHE 30 HD2 PHE 30 -1.398 8.750 -7.030 255 HE1 PHE 30 HE1 PHE 30 -5.788 10.461 -5.584 256 HE2 PHE 30 HE2 PHE 30 -3.384 8.394 -8.433 257 HZ PHE 30 HZ PHE 30 -5.579 9.242 -7.714 258 HA PRO 31 HA PRO 31 2.049 9.244 -0.599 259 HB2 PRO 31 2HB PRO 31 3.297 6.912 -0.175 260 HB3 PRO 31 3HB PRO 31 1.598 7.109 0.281 261 HG2 PRO 31 2HG PRO 31 2.757 5.784 -2.166 262 HG3 PRO 31 3HG PRO 31 1.460 5.212 -1.094 263 HD2 PRO 31 2HD PRO 31 1.033 6.542 -3.510 264 HD3 PRO 31 3HD PRO 31 -0.150 6.463 -2.188 265 H HIS 32 H HIS 32 4.419 9.310 -0.353 266 HA HIS 32 HA HIS 32 5.902 9.734 -2.826 267 HB2 HIS 32 2HB HIS 32 6.677 10.082 0.104 268 HB3 HIS 32 3HB HIS 32 7.773 10.410 -1.232 269 HD2 HIS 32 HD2 HIS 32 4.145 11.732 -0.259 270 HE1 HIS 32 HE1 HIS 32 6.531 14.892 -1.748 271 HE2 HIS 32 HE2 HIS 32 4.355 14.290 -0.607 272 H ASP 33 H ASP 33 8.254 8.905 -2.881 273 HA ASP 33 HA ASP 33 8.194 6.107 -3.233 274 HB2 ASP 33 2HB ASP 33 9.616 7.755 -4.500 275 HB3 ASP 33 3HB ASP 33 10.643 7.912 -3.082 276 H SER 34 H SER 34 9.808 8.081 -0.734 277 HA SER 34 HA SER 34 11.086 6.022 0.728 278 HB2 SER 34 2HB SER 34 11.681 8.396 0.996 279 HB3 SER 34 3HB SER 34 10.105 8.735 1.710 280 HG SER 34 HG SER 34 12.027 8.333 3.149 281 H GLU 35 H GLU 35 7.806 7.310 0.941 282 HA GLU 35 HA GLU 35 6.926 6.023 3.290 283 HB2 GLU 35 2HB GLU 35 5.633 7.814 2.143 284 HB3 GLU 35 3HB GLU 35 5.305 6.724 0.803 285 HG2 GLU 35 2HG GLU 35 3.364 6.938 2.297 286 HG3 GLU 35 3HG GLU 35 3.963 5.281 2.252 287 H ILE 36 H ILE 36 6.796 5.011 -0.093 288 HA ILE 36 HA ILE 36 5.578 2.487 0.242 289 HB ILE 36 HB ILE 36 7.435 3.461 -1.978 290 HG12 ILE 36 2HG1 ILE 36 4.374 3.495 -1.912 291 HG13 ILE 36 3HG1 ILE 36 5.367 4.888 -1.506 292 HG21 ILE 36 1HG2 ILE 36 6.337 1.752 -3.416 293 HG22 ILE 36 2HG2 ILE 36 5.455 1.146 -2.013 294 HG23 ILE 36 3HG2 ILE 36 7.213 1.015 -2.076 295 HD11 ILE 36 3HD1 ILE 36 5.265 3.514 -4.184 296 HD12 ILE 36 1HD1 ILE 36 6.262 4.915 -3.779 297 HD13 ILE 36 2HD1 ILE 36 4.503 5.043 -3.754 298 H ILE 37 H ILE 37 9.020 3.466 0.258 299 HA ILE 37 HA ILE 37 10.236 0.920 0.346 300 HB ILE 37 HB ILE 37 11.211 3.530 1.597 301 HG12 ILE 37 2HG1 ILE 37 11.946 2.242 -1.080 302 HG13 ILE 37 3HG1 ILE 37 10.875 3.622 -0.885 303 HG21 ILE 37 1HG2 ILE 37 12.809 0.990 1.053 304 HG22 ILE 37 2HG2 ILE 37 12.386 1.633 2.643 305 HG23 ILE 37 3HG2 ILE 37 13.486 2.528 1.597 306 HD11 ILE 37 3HD1 ILE 37 12.756 4.941 -0.002 307 HD12 ILE 37 1HD1 ILE 37 13.060 4.324 -1.627 308 HD13 ILE 37 2HD1 ILE 37 13.822 3.552 -0.238 309 H ARG 38 H ARG 38 9.206 3.048 3.026 310 HA ARG 38 HA ARG 38 9.765 1.365 5.201 311 HB2 ARG 38 2HB ARG 38 9.192 3.685 5.591 312 HB3 ARG 38 3HB ARG 38 7.613 3.488 4.832 313 HG2 ARG 38 2HG ARG 38 6.879 2.040 6.680 314 HG3 ARG 38 3HG ARG 38 8.469 2.164 7.436 315 HD2 ARG 38 2HD ARG 38 8.147 4.521 7.870 316 HD3 ARG 38 3HD ARG 38 6.658 4.543 6.917 317 HE ARG 38 HE ARG 38 6.024 2.743 8.780 318 HH11 ARG 38 1HH1 ARG 38 7.559 5.818 9.228 319 HH12 ARG 38 2HH1 ARG 38 6.776 6.087 10.747 320 HH21 ARG 38 1HH2 ARG 38 5.037 3.135 10.701 321 HH22 ARG 38 2HH2 ARG 38 5.375 4.595 11.559 322 H LEU 39 H LEU 39 6.761 1.684 3.291 323 HA LEU 39 HA LEU 39 5.172 -0.197 4.619 324 HB2 LEU 39 2HB LEU 39 5.086 0.767 1.743 325 HB3 LEU 39 3HB LEU 39 3.856 -0.284 2.430 326 HG LEU 39 HG LEU 39 4.498 2.511 3.471 327 HD11 LEU 39 1HD1 LEU 39 2.176 1.614 1.733 328 HD12 LEU 39 2HD1 LEU 39 3.517 2.649 1.234 329 HD13 LEU 39 3HD1 LEU 39 2.375 3.218 2.450 330 HD21 LEU 39 3HD2 LEU 39 3.600 1.045 5.229 331 HD22 LEU 39 1HD2 LEU 39 2.228 0.619 4.202 332 HD23 LEU 39 2HD2 LEU 39 2.423 2.274 4.783 333 H MET 40 H MET 40 7.624 -0.727 2.098 334 HA MET 40 HA MET 40 7.009 -3.426 1.459 335 HB2 MET 40 2HB MET 40 9.730 -2.051 1.440 336 HB3 MET 40 3HB MET 40 9.400 -3.618 0.715 337 HG2 MET 40 2HG MET 40 7.707 -2.440 -0.766 338 HG3 MET 40 3HG MET 40 8.363 -0.924 -0.160 339 HE1 MET 40 3HE MET 40 11.532 -1.944 0.103 340 HE2 MET 40 1HE MET 40 11.068 -0.331 -0.439 341 HE3 MET 40 2HE MET 40 12.150 -1.316 -1.424 342 H LYS 41 H LYS 41 8.998 -2.012 4.023 343 HA LYS 41 HA LYS 41 9.972 -4.525 5.062 344 HB2 LYS 41 2HB LYS 41 10.019 -1.743 6.298 345 HB3 LYS 41 3HB LYS 41 10.944 -3.133 6.870 346 HG2 LYS 41 2HG LYS 41 12.192 -3.185 4.736 347 HG3 LYS 41 3HG LYS 41 11.260 -1.800 4.155 348 HD2 LYS 41 2HD LYS 41 12.179 -0.416 5.994 349 HD3 LYS 41 3HD LYS 41 13.109 -1.800 6.573 350 HE2 LYS 41 2HE LYS 41 14.376 -1.836 4.453 351 HE3 LYS 41 3HE LYS 41 13.437 -0.464 3.862 352 HZ1 LYS 41 3HZ LYS 41 15.203 -0.444 6.248 353 HZ2 LYS 41 1HZ LYS 41 14.325 0.874 5.649 354 HZ3 LYS 41 2HZ LYS 41 15.585 0.213 4.736 355 H ILE 42 H ILE 42 7.282 -2.374 5.812 356 HA ILE 42 HA ILE 42 6.596 -3.601 8.337 357 HB ILE 42 HB ILE 42 4.914 -1.742 6.587 358 HG12 ILE 42 2HG1 ILE 42 7.036 -0.648 7.270 359 HG13 ILE 42 3HG1 ILE 42 5.667 0.101 8.078 360 HG21 ILE 42 1HG2 ILE 42 4.557 -2.458 9.523 361 HG22 ILE 42 2HG2 ILE 42 3.514 -2.964 8.197 362 HG23 ILE 42 3HG2 ILE 42 3.608 -1.260 8.636 363 HD11 ILE 42 3HD1 ILE 42 7.603 -1.867 9.311 364 HD12 ILE 42 1HD1 ILE 42 6.215 -1.139 10.129 365 HD13 ILE 42 2HD1 ILE 42 7.546 -0.126 9.579 366 H THR 43 H THR 43 5.477 -3.929 4.970 367 HA THR 43 HA THR 43 3.395 -5.862 5.705 368 HB THR 43 HB THR 43 2.679 -5.801 3.368 369 HG1 THR 43 HG1 THR 43 4.299 -3.839 2.407 370 HG21 THR 43 3HG2 THR 43 3.294 -2.993 4.355 371 HG22 THR 43 1HG2 THR 43 1.879 -3.954 4.792 372 HG23 THR 43 2HG2 THR 43 2.097 -3.411 3.129 373 H GLY 44 H GLY 44 6.155 -5.813 3.398 374 HA2 GLY 44 2HA GLY 44 7.689 -7.792 3.383 375 HA3 GLY 44 3HA GLY 44 6.247 -8.797 3.451 376 H LEU 45 H LEU 45 5.363 -6.290 1.551 377 HA LEU 45 HA LEU 45 5.696 -7.761 -0.948 378 HB2 LEU 45 2HB LEU 45 4.273 -5.143 -0.344 379 HB3 LEU 45 3HB LEU 45 4.189 -6.009 -1.872 380 HG LEU 45 HG LEU 45 3.156 -7.085 0.790 381 HD11 LEU 45 1HD1 LEU 45 1.793 -5.201 0.005 382 HD12 LEU 45 2HD1 LEU 45 0.907 -6.718 -0.118 383 HD13 LEU 45 3HD1 LEU 45 1.595 -5.981 -1.567 384 HD21 LEU 45 3HD2 LEU 45 2.127 -8.870 -0.563 385 HD22 LEU 45 1HD2 LEU 45 3.883 -8.890 -0.710 386 HD23 LEU 45 2HD2 LEU 45 2.896 -8.227 -2.016 387 H THR 46 H THR 46 6.160 -6.389 -2.977 388 HA THR 46 HA THR 46 8.657 -4.845 -2.617 389 HB THR 46 HB THR 46 9.010 -5.137 -5.038 390 HG1 THR 46 HG1 THR 46 6.673 -6.730 -5.215 391 HG21 THR 46 3HG2 THR 46 8.164 -7.764 -3.763 392 HG22 THR 46 1HG2 THR 46 9.746 -7.003 -3.586 393 HG23 THR 46 2HG2 THR 46 9.221 -7.591 -5.166 394 H LYS 47 H LYS 47 8.976 -2.931 -4.019 395 HA LYS 47 HA LYS 47 7.098 -0.909 -3.603 396 HB2 LYS 47 2HB LYS 47 9.493 -0.478 -3.895 397 HB3 LYS 47 3HB LYS 47 9.427 -1.034 -5.562 398 HG2 LYS 47 2HG LYS 47 8.124 0.889 -6.236 399 HG3 LYS 47 3HG LYS 47 7.911 1.401 -4.561 400 HD2 LYS 47 2HD LYS 47 10.571 1.296 -6.041 401 HD3 LYS 47 3HD LYS 47 9.618 2.756 -5.768 402 HE2 LYS 47 2HE LYS 47 9.900 2.506 -3.335 403 HE3 LYS 47 3HE LYS 47 10.820 1.016 -3.577 404 HZ1 LYS 47 3HZ LYS 47 11.592 3.751 -4.432 405 HZ2 LYS 47 1HZ LYS 47 12.462 2.351 -4.822 406 HZ3 LYS 47 2HZ LYS 47 12.307 2.830 -3.210 407 H GLY 48 H GLY 48 7.702 -2.845 -6.534 408 HA2 GLY 48 2HA GLY 48 5.940 -1.558 -8.323 409 HA3 GLY 48 3HA GLY 48 6.467 -3.230 -8.430 410 H GLU 49 H GLU 49 5.343 -4.274 -6.082 411 HA GLU 49 HA GLU 49 2.637 -4.776 -6.787 412 HB2 GLU 49 2HB GLU 49 4.131 -5.340 -4.189 413 HB3 GLU 49 3HB GLU 49 2.491 -5.903 -4.510 414 HG2 GLU 49 2HG GLU 49 3.317 -7.242 -6.419 415 HG3 GLU 49 3HG GLU 49 4.958 -6.675 -6.102 416 H ILE 50 H ILE 50 4.100 -2.631 -4.373 417 HA ILE 50 HA ILE 50 1.635 -1.972 -3.046 418 HB ILE 50 HB ILE 50 4.423 -0.759 -2.855 419 HG12 ILE 50 2HG1 ILE 50 2.901 -2.658 -1.001 420 HG13 ILE 50 3HG1 ILE 50 4.224 -3.113 -2.067 421 HG21 ILE 50 1HG2 ILE 50 2.031 -0.150 -1.079 422 HG22 ILE 50 2HG2 ILE 50 2.814 0.974 -2.189 423 HG23 ILE 50 3HG2 ILE 50 3.688 0.381 -0.779 424 HD11 ILE 50 3HD1 ILE 50 4.396 -1.324 0.357 425 HD12 ILE 50 1HD1 ILE 50 5.739 -1.688 -0.734 426 HD13 ILE 50 2HD1 ILE 50 4.987 -2.978 0.202 427 H LYS 51 H LYS 51 3.692 -0.204 -5.404 428 HA LYS 51 HA LYS 51 2.147 2.156 -5.614 429 HB2 LYS 51 2HB LYS 51 3.872 0.779 -7.708 430 HB3 LYS 51 3HB LYS 51 3.185 2.387 -7.916 431 HG2 LYS 51 2HG LYS 51 4.487 3.204 -5.988 432 HG3 LYS 51 3HG LYS 51 5.159 1.588 -5.750 433 HD2 LYS 51 2HD LYS 51 6.791 2.967 -6.922 434 HD3 LYS 51 3HD LYS 51 6.203 1.712 -8.014 435 HE2 LYS 51 2HE LYS 51 4.619 3.416 -9.001 436 HE3 LYS 51 3HE LYS 51 5.399 4.643 -8.002 437 HZ1 LYS 51 3HZ LYS 51 6.286 4.590 -10.247 438 HZ2 LYS 51 1HZ LYS 51 6.745 2.973 -10.054 439 HZ3 LYS 51 2HZ LYS 51 7.478 4.178 -9.121 440 H LYS 52 H LYS 52 1.993 -0.876 -7.491 441 HA LYS 52 HA LYS 52 -0.254 -0.270 -9.086 442 HB2 LYS 52 2HB LYS 52 1.103 -2.162 -9.701 443 HB3 LYS 52 3HB LYS 52 0.882 -2.923 -8.126 444 HG2 LYS 52 2HG LYS 52 -1.462 -3.370 -8.617 445 HG3 LYS 52 3HG LYS 52 -1.353 -2.489 -10.141 446 HD2 LYS 52 2HD LYS 52 0.069 -4.183 -11.105 447 HD3 LYS 52 3HD LYS 52 0.278 -4.985 -9.544 448 HE2 LYS 52 2HE LYS 52 -1.328 -6.157 -11.071 449 HE3 LYS 52 3HE LYS 52 -2.034 -5.695 -9.524 450 HZ1 LYS 52 3HZ LYS 52 -3.481 -5.258 -11.446 451 HZ2 LYS 52 1HZ LYS 52 -2.348 -4.155 -12.043 452 HZ3 LYS 52 2HZ LYS 52 -3.133 -3.850 -10.572 453 H TRP 53 H TRP 53 -0.003 -1.634 -5.805 454 HA TRP 53 HA TRP 53 -2.650 -2.466 -5.434 455 HB2 TRP 53 2HB TRP 53 -0.807 -3.072 -3.873 456 HB3 TRP 53 3HB TRP 53 -0.729 -1.410 -3.305 457 HD1 TRP 53 HD1 TRP 53 -2.763 -4.617 -2.920 458 HE1 TRP 53 HE1 TRP 53 -4.473 -4.309 -1.028 459 HE3 TRP 53 HE3 TRP 53 -2.166 0.390 -2.060 460 HZ2 TRP 53 HZ2 TRP 53 -5.453 -2.243 0.589 461 HZ3 TRP 53 HZ3 TRP 53 -3.542 1.463 -0.335 462 HH2 TRP 53 HH2 TRP 53 -5.155 0.170 0.966 463 H PHE 54 H PHE 54 -1.158 0.714 -4.645 464 HA PHE 54 HA PHE 54 -3.455 1.990 -3.622 465 HB2 PHE 54 2HB PHE 54 -0.916 3.082 -4.870 466 HB3 PHE 54 3HB PHE 54 -2.207 4.174 -4.386 467 HD1 PHE 54 HD2 PHE 54 -2.903 4.281 -1.967 468 HD2 PHE 54 HD1 PHE 54 0.586 2.148 -3.210 469 HE1 PHE 54 HE2 PHE 54 -2.062 4.290 0.341 470 HE2 PHE 54 HE1 PHE 54 1.410 2.165 -0.894 471 HZ PHE 54 HZ PHE 54 0.088 3.230 0.883 472 H SER 55 H SER 55 -2.455 1.479 -6.952 473 HA SER 55 HA SER 55 -4.314 3.263 -8.219 474 HB2 SER 55 2HB SER 55 -2.342 2.496 -9.444 475 HB3 SER 55 3HB SER 55 -2.837 0.811 -9.277 476 HG SER 55 HG SER 55 -4.339 1.077 -10.787 477 H ASP 56 H ASP 56 -4.353 -0.294 -7.769 478 HA ASP 56 HA ASP 56 -6.906 -0.767 -8.911 479 HB2 ASP 56 2HB ASP 56 -5.147 -2.423 -7.065 480 HB3 ASP 56 3HB ASP 56 -6.666 -3.032 -7.716 481 H THR 57 H THR 57 -5.917 -0.159 -5.576 482 HA THR 57 HA THR 57 -8.487 -0.666 -4.365 483 HB THR 57 HB THR 57 -6.068 0.819 -3.224 484 HG1 THR 57 HG1 THR 57 -5.261 -1.149 -3.275 485 HG21 THR 57 3HG2 THR 57 -8.427 -0.467 -1.779 486 HG22 THR 57 1HG2 THR 57 -8.112 1.269 -1.891 487 HG23 THR 57 2HG2 THR 57 -7.003 0.224 -1.001 488 H ARG 58 H ARG 58 -6.866 2.162 -5.731 489 HA ARG 58 HA ARG 58 -8.800 4.128 -4.976 490 HB2 ARG 58 2HB ARG 58 -6.345 4.161 -6.400 491 HB3 ARG 58 3HB ARG 58 -7.518 4.710 -7.575 492 HG2 ARG 58 2HG ARG 58 -6.976 5.962 -4.858 493 HG3 ARG 58 3HG ARG 58 -6.478 6.600 -6.426 494 HD2 ARG 58 2HD ARG 58 -8.843 6.896 -7.062 495 HD3 ARG 58 3HD ARG 58 -9.355 6.243 -5.502 496 HE ARG 58 HE ARG 58 -7.749 8.721 -5.735 497 HH11 ARG 58 1HH1 ARG 58 -10.495 7.065 -4.436 498 HH12 ARG 58 2HH1 ARG 58 -10.975 8.411 -3.469 499 HH21 ARG 58 1HH2 ARG 58 -8.407 10.438 -4.511 500 HH22 ARG 58 2HH2 ARG 58 -9.817 10.301 -3.522 501 H TYR 59 H TYR 59 -8.484 1.936 -7.732 502 HA TYR 59 HA TYR 59 -10.745 2.764 -9.211 503 HB2 TYR 59 2HB TYR 59 -9.020 1.346 -10.234 504 HB3 TYR 59 3HB TYR 59 -9.378 0.038 -9.111 505 HD1 TYR 59 HD2 TYR 59 -10.823 2.032 -11.938 506 HD2 TYR 59 HD1 TYR 59 -11.153 -1.538 -9.602 507 HE1 TYR 59 HE2 TYR 59 -12.540 1.171 -13.479 508 HE2 TYR 59 HE1 TYR 59 -12.877 -2.376 -11.129 509 HH TYR 59 HH TYR 59 -13.538 -0.916 -14.162 510 H ASN 60 H ASN 60 -10.351 0.475 -6.534 511 HA ASN 60 HA ASN 60 -12.799 -0.870 -6.623 512 HB2 ASN 60 2HB ASN 60 -10.901 -1.615 -5.235 513 HB3 ASN 60 3HB ASN 60 -11.066 -0.202 -4.201 514 HD21 ASN 60 1HD2 ASN 60 -12.579 -3.234 -5.150 515 HD22 ASN 60 2HD2 ASN 60 -13.577 -3.390 -3.751 516 H GLN 61 H GLN 61 -12.034 2.263 -5.111 517 HA GLN 61 HA GLN 61 -14.556 2.595 -3.771 518 HB2 GLN 61 2HB GLN 61 -12.434 4.662 -4.461 519 HB3 GLN 61 3HB GLN 61 -13.814 4.944 -3.396 520 HG2 GLN 61 2HG GLN 61 -12.954 3.068 -1.935 521 HG3 GLN 61 3HG GLN 61 -11.497 3.046 -2.931 522 HE21 GLN 61 1HE2 GLN 61 -11.786 3.617 -0.104 523 HE22 GLN 61 2HE2 GLN 61 -11.126 5.189 0.149 524 H ARG 62 H ARG 62 -13.327 3.649 -6.940 525 HA ARG 62 HA ARG 62 -15.885 4.936 -7.628 526 HB2 ARG 62 2HB ARG 62 -14.769 5.447 -9.826 527 HB3 ARG 62 3HB ARG 62 -13.944 6.118 -8.427 528 HG2 ARG 62 2HG ARG 62 -12.239 4.378 -8.540 529 HG3 ARG 62 3HG ARG 62 -13.089 3.588 -9.871 530 HD2 ARG 62 2HD ARG 62 -11.962 6.412 -9.998 531 HD3 ARG 62 3HD ARG 62 -11.125 4.975 -10.596 532 HE ARG 62 HE ARG 62 -13.436 4.805 -11.922 533 HH11 ARG 62 1HH1 ARG 62 -11.372 7.569 -11.537 534 HH12 ARG 62 2HH1 ARG 62 -11.772 8.190 -13.099 535 HH21 ARG 62 1HH2 ARG 62 -13.917 5.632 -13.883 536 HH22 ARG 62 2HH2 ARG 62 -13.202 7.121 -14.393 537 H ASN 63 H ASN 63 -14.831 1.797 -7.552 538 HA ASN 63 HA ASN 63 -16.481 0.852 -9.796 539 HB2 ASN 63 2HB ASN 63 -14.293 -0.260 -9.356 540 HB3 ASN 63 3HB ASN 63 -14.844 -0.711 -7.749 541 HD21 ASN 63 1HD2 ASN 63 -16.706 -0.881 -10.784 542 HD22 ASN 63 2HD2 ASN 63 -16.869 -2.597 -10.769 543 H SER 64 H SER 64 -16.512 1.107 -6.300 544 HA SER 64 HA SER 64 -18.774 -0.531 -5.726 545 HB2 SER 64 2HB SER 64 -18.828 0.601 -3.528 546 HB3 SER 64 3HB SER 64 -17.171 0.182 -3.958 547 HG SER 64 HG SER 64 -17.452 2.576 -4.902 548 H LYS 65 H LYS 65 -20.938 -0.097 -5.697 549 HA LYS 65 HA LYS 65 -22.037 1.651 -7.549 550 HB2 LYS 65 2HB LYS 65 -23.117 -0.435 -6.685 551 HB3 LYS 65 3HB LYS 65 -23.455 0.388 -5.168 552 HG2 LYS 65 2HG LYS 65 -24.843 2.059 -6.513 553 HG3 LYS 65 3HG LYS 65 -24.638 0.987 -7.898 554 HD2 LYS 65 2HD LYS 65 -26.791 0.513 -6.867 555 HD3 LYS 65 3HD LYS 65 -25.715 -0.858 -6.584 556 HE2 LYS 65 2HE LYS 65 -25.256 0.012 -4.288 557 HE3 LYS 65 3HE LYS 65 -26.393 1.329 -4.579 558 HZ1 LYS 65 3HZ LYS 65 -27.395 -0.477 -3.339 559 HZ2 LYS 65 1HZ LYS 65 -27.056 -1.560 -4.591 560 HZ3 LYS 65 2HZ LYS 65 -28.147 -0.296 -4.841 561 H SER 66 H SER 66 -21.911 2.006 -4.007 562 HA SER 66 HA SER 66 -22.157 3.700 -2.543 563 HB2 SER 66 2HB SER 66 -21.762 5.555 -4.935 564 HB3 SER 66 3HB SER 66 -21.596 6.006 -3.237 565 HG SER 66 HG SER 66 -20.026 4.060 -4.601 566 H ASN 67 H ASN 67 -23.522 5.787 -2.019 567 HA ASN 67 HA ASN 67 -26.096 5.900 -3.425 568 HB2 ASN 67 2HB ASN 67 -26.359 4.133 -1.658 569 HB3 ASN 67 3HB ASN 67 -25.979 5.330 -0.426 570 HD21 ASN 67 1HD2 ASN 67 -28.016 5.757 -3.318 571 HD22 ASN 67 2HD2 ASN 67 -29.470 6.059 -2.446 572 H GLN 68 H GLN 68 -26.281 7.998 -3.891 573 HA GLN 68 HA GLN 68 -25.288 10.109 -2.134 574 HB2 GLN 68 2HB GLN 68 -25.063 10.224 -4.647 575 HB3 GLN 68 3HB GLN 68 -26.812 10.357 -4.771 576 HG2 GLN 68 2HG GLN 68 -26.744 12.493 -3.533 577 HG3 GLN 68 3HG GLN 68 -24.994 12.347 -3.365 578 HE21 GLN 68 1HE2 GLN 68 -24.493 14.201 -4.479 579 HE22 GLN 68 2HE2 GLN 68 -24.788 14.423 -6.166 580 H CYS 69 H CYS 69 -26.557 10.230 -0.314 581 HA CYS 69 HA CYS 69 -29.444 10.015 -0.347 582 HB2 CYS 69 2HB CYS 69 -28.113 9.217 1.587 583 HB3 CYS 69 3HB CYS 69 -27.582 10.867 1.907 584 HG CYS 69 HG CYS 69 -30.300 9.325 2.939 585 H LEU 70 H LEU 70 -27.187 12.683 0.534 586 HA LEU 70 HA LEU 70 -29.194 14.717 0.640 587 HB2 LEU 70 2HB LEU 70 -26.934 14.685 1.829 588 HB3 LEU 70 3HB LEU 70 -26.188 15.111 0.303 589 HG LEU 70 HG LEU 70 -28.278 16.886 1.647 590 HD11 LEU 70 1HD1 LEU 70 -26.425 16.603 3.226 591 HD12 LEU 70 2HD1 LEU 70 -26.442 18.240 2.575 592 HD13 LEU 70 3HD1 LEU 70 -25.264 17.068 1.978 593 HD21 LEU 70 3HD2 LEU 70 -27.913 17.420 -0.724 594 HD22 LEU 70 1HD2 LEU 70 -26.173 17.554 -0.448 595 HD23 LEU 70 2HD2 LEU 70 -27.283 18.705 0.300 596 H HIS 71 H HIS 71 -30.275 15.466 -1.096 597 HA HIS 71 HA HIS 71 -28.918 15.744 -3.724 598 HB2 HIS 71 2HB HIS 71 -31.872 15.454 -3.043 599 HB3 HIS 71 3HB HIS 71 -31.287 15.877 -4.651 600 HD1 HIS 71 HD1 HIS 71 -31.715 12.998 -2.341 601 HD2 HIS 71 HD2 HIS 71 -29.945 13.758 -6.018 602 HE1 HIS 71 HE1 HIS 71 -31.267 10.747 -3.341 603 HE2 HIS 71 HE2 HIS 71 -30.384 11.241 -5.644 604 H LEU 72 H LEU 72 -27.971 17.746 -3.546 605 HA LEU 72 HA LEU 72 -29.522 20.139 -2.919 606 HB2 LEU 72 2HB LEU 72 -27.400 21.346 -3.628 607 HB3 LEU 72 3HB LEU 72 -27.252 20.262 -2.262 608 HG LEU 72 HG LEU 72 -26.264 18.537 -3.942 609 HD11 LEU 72 1HD1 LEU 72 -25.888 21.010 -5.658 610 HD12 LEU 72 2HD1 LEU 72 -26.890 19.611 -6.052 611 HD13 LEU 72 3HD1 LEU 72 -25.143 19.432 -5.929 612 HD21 LEU 72 3HD2 LEU 72 -24.673 21.043 -3.303 613 HD22 LEU 72 1HD2 LEU 72 -24.001 19.465 -3.727 614 HD23 LEU 72 2HD2 LEU 72 -24.913 19.658 -2.233 615 H ASN 73 H ASN 73 -29.258 22.028 -4.665 616 HA ASN 73 HA ASN 73 -30.822 21.317 -6.933 617 HB2 ASN 73 2HB ASN 73 -30.850 23.579 -5.840 618 HB3 ASN 73 3HB ASN 73 -29.238 23.883 -6.476 619 HD21 ASN 73 1HD2 ASN 73 -32.620 23.613 -7.261 620 HD22 ASN 73 2HD2 ASN 73 -32.513 24.266 -8.856 621 H ASN 74 H ASN 74 -29.860 19.855 -8.302 622 HA ASN 74 HA ASN 74 -27.118 19.920 -9.108 623 HB2 ASN 74 2HB ASN 74 -27.780 18.045 -10.674 624 HB3 ASN 74 3HB ASN 74 -28.177 17.773 -8.983 625 HD21 ASN 74 1HD2 ASN 74 -29.481 18.325 -12.163 626 HD22 ASN 74 2HD2 ASN 74 -31.114 17.923 -11.782 Start of MODEL 4 1 H1 SER 1 1H SER 1 -18.083 -17.620 -0.150 2 H2 SER 1 2H SER 1 -18.536 -16.029 0.202 3 H3 SER 1 3H SER 1 -18.392 -17.160 1.449 4 HA SER 1 HA SER 1 -16.192 -16.147 -0.257 5 HB2 SER 1 2HB SER 1 -16.830 -15.585 2.676 6 HB3 SER 1 3HB SER 1 -15.367 -15.052 1.841 7 HG SER 1 HG SER 1 -16.451 -13.500 0.941 8 H HIS 2 H HIS 2 -14.414 -17.367 -0.286 9 HA HIS 2 HA HIS 2 -14.003 -19.554 1.679 10 HB2 HIS 2 2HB HIS 2 -14.805 -20.271 -0.664 11 HB3 HIS 2 3HB HIS 2 -13.281 -19.663 -1.291 12 HD1 HIS 2 HD1 HIS 2 -11.070 -20.965 -0.366 13 HD2 HIS 2 HD2 HIS 2 -14.721 -22.842 0.290 14 HE1 HIS 2 HE1 HIS 2 -10.512 -23.331 0.232 15 HE2 HIS 2 HE2 HIS 2 -12.717 -24.419 0.731 16 H MET 3 H MET 3 -11.754 -20.011 2.145 17 HA MET 3 HA MET 3 -10.013 -17.777 2.272 18 HB2 MET 3 2HB MET 3 -9.328 -20.730 2.598 19 HB3 MET 3 3HB MET 3 -8.339 -19.385 3.150 20 HG2 MET 3 2HG MET 3 -10.021 -18.761 4.792 21 HG3 MET 3 3HG MET 3 -11.129 -19.988 4.174 22 HE1 MET 3 3HE MET 3 -10.636 -22.625 4.340 23 HE2 MET 3 1HE MET 3 -9.262 -23.314 5.204 24 HE3 MET 3 2HE MET 3 -9.007 -22.461 3.683 25 HA PRO 4 HA PRO 4 -8.305 -17.661 -1.894 26 HB2 PRO 4 2HB PRO 4 -5.754 -16.778 -0.537 27 HB3 PRO 4 3HB PRO 4 -6.626 -16.036 -1.887 28 HG2 PRO 4 2HG PRO 4 -6.817 -14.973 0.549 29 HG3 PRO 4 3HG PRO 4 -8.258 -15.088 -0.484 30 HD2 PRO 4 2HD PRO 4 -7.462 -16.815 1.857 31 HD3 PRO 4 3HD PRO 4 -9.067 -16.199 1.405 32 H ASP 5 H ASP 5 -8.088 -19.710 -2.691 33 HA ASP 5 HA ASP 5 -6.120 -21.615 -1.773 34 HB2 ASP 5 2HB ASP 5 -7.916 -21.688 -4.238 35 HB3 ASP 5 3HB ASP 5 -6.988 -23.046 -3.609 36 H SER 6 H SER 6 -4.250 -20.207 -2.066 37 HA SER 6 HA SER 6 -2.830 -20.786 -4.526 38 HB2 SER 6 2HB SER 6 -3.939 -18.659 -5.165 39 HB3 SER 6 3HB SER 6 -3.274 -17.862 -3.742 40 HG SER 6 HG SER 6 -2.042 -17.465 -5.656 41 H PHE 7 H PHE 7 -0.559 -20.006 -4.406 42 HA PHE 7 HA PHE 7 0.579 -20.698 -1.818 43 HB2 PHE 7 2HB PHE 7 1.979 -20.122 -4.470 44 HB3 PHE 7 3HB PHE 7 2.715 -20.850 -3.046 45 HD1 PHE 7 HD1 PHE 7 0.370 -21.419 -5.858 46 HD2 PHE 7 HD2 PHE 7 2.339 -23.216 -2.510 47 HE1 PHE 7 HE1 PHE 7 -0.270 -23.650 -6.673 48 HE2 PHE 7 HE2 PHE 7 1.699 -25.445 -3.340 49 HZ PHE 7 HZ PHE 7 0.394 -25.666 -5.418 50 H GLY 8 H GLY 8 0.053 -17.807 -3.696 51 HA2 GLY 8 2HA GLY 8 0.626 -15.590 -3.453 52 HA3 GLY 8 3HA GLY 8 0.953 -15.953 -1.764 53 H ILE 9 H ILE 9 2.436 -16.693 -4.927 54 HA ILE 9 HA ILE 9 4.993 -17.297 -3.885 55 HB ILE 9 HB ILE 9 4.280 -16.613 -6.776 56 HG12 ILE 9 2HG1 ILE 9 4.254 -19.330 -5.373 57 HG13 ILE 9 3HG1 ILE 9 2.826 -18.421 -5.849 58 HG21 ILE 9 1HG2 ILE 9 6.624 -18.225 -5.675 59 HG22 ILE 9 2HG2 ILE 9 6.717 -16.619 -6.397 60 HG23 ILE 9 3HG2 ILE 9 6.247 -17.999 -7.386 61 HD11 ILE 9 3HD1 ILE 9 3.473 -18.690 -8.213 62 HD12 ILE 9 1HD1 ILE 9 3.240 -20.227 -7.382 63 HD13 ILE 9 2HD1 ILE 9 4.871 -19.642 -7.704 64 H ARG 10 H ARG 10 6.076 -15.745 -2.808 65 HA ARG 10 HA ARG 10 7.191 -13.908 -2.188 66 HB2 ARG 10 2HB ARG 10 8.518 -14.356 -4.266 67 HB3 ARG 10 3HB ARG 10 7.466 -13.251 -5.149 68 HG2 ARG 10 2HG ARG 10 8.169 -11.426 -3.551 69 HG3 ARG 10 3HG ARG 10 9.327 -12.550 -2.850 70 HD2 ARG 10 2HD ARG 10 10.509 -12.694 -4.999 71 HD3 ARG 10 3HD ARG 10 9.311 -11.621 -5.742 72 HE ARG 10 HE ARG 10 10.603 -10.505 -3.407 73 HH11 ARG 10 1HH1 ARG 10 10.854 -10.791 -6.856 74 HH12 ARG 10 2HH1 ARG 10 11.865 -9.395 -6.985 75 HH21 ARG 10 1HH2 ARG 10 11.852 -8.736 -3.616 76 HH22 ARG 10 2HH2 ARG 10 12.410 -8.240 -5.175 77 H ALA 11 H ALA 11 5.598 -12.461 -5.060 78 HA ALA 11 HA ALA 11 4.460 -10.244 -3.682 79 HB1 ALA 11 3HB ALA 11 3.734 -11.452 -6.372 80 HB2 ALA 11 1HB ALA 11 4.928 -10.186 -6.088 81 HB3 ALA 11 2HB ALA 11 3.220 -9.865 -5.789 82 H LYS 12 H LYS 12 3.253 -10.902 -1.951 83 HA LYS 12 HA LYS 12 0.925 -12.711 -2.307 84 HB2 LYS 12 2HB LYS 12 2.821 -13.567 -0.891 85 HB3 LYS 12 3HB LYS 12 2.623 -12.186 0.176 86 HG2 LYS 12 2HG LYS 12 0.342 -13.000 0.748 87 HG3 LYS 12 3HG LYS 12 0.618 -14.418 -0.267 88 HD2 LYS 12 2HD LYS 12 2.316 -13.673 2.156 89 HD3 LYS 12 3HD LYS 12 0.982 -14.821 2.197 90 HE2 LYS 12 2HE LYS 12 2.985 -16.113 2.071 91 HE3 LYS 12 3HE LYS 12 2.251 -16.195 0.473 92 HZ1 LYS 12 3HZ LYS 12 3.842 -14.652 -0.359 93 HZ2 LYS 12 1HZ LYS 12 4.692 -15.843 0.482 94 HZ3 LYS 12 2HZ LYS 12 4.449 -14.324 1.185 95 H LYS 13 H LYS 13 -1.059 -12.113 -1.236 96 HA LYS 13 HA LYS 13 -1.165 -9.450 0.082 97 HB2 LYS 13 2HB LYS 13 -3.274 -10.609 -1.793 98 HB3 LYS 13 3HB LYS 13 -3.426 -9.104 -0.897 99 HG2 LYS 13 2HG LYS 13 -1.344 -9.628 -3.046 100 HG3 LYS 13 3HG LYS 13 -2.877 -8.797 -3.307 101 HD2 LYS 13 2HD LYS 13 -2.190 -7.010 -1.741 102 HD3 LYS 13 3HD LYS 13 -0.666 -7.849 -1.434 103 HE2 LYS 13 2HE LYS 13 0.010 -7.531 -3.772 104 HE3 LYS 13 3HE LYS 13 -1.545 -6.787 -4.144 105 HZ1 LYS 13 3HZ LYS 13 0.495 -5.694 -2.283 106 HZ2 LYS 13 1HZ LYS 13 -0.999 -4.980 -2.640 107 HZ3 LYS 13 2HZ LYS 13 0.172 -5.135 -3.849 108 H THR 14 H THR 14 -0.956 -10.639 2.103 109 HA THR 14 HA THR 14 -3.285 -12.153 3.058 110 HB THR 14 HB THR 14 -2.174 -12.197 5.258 111 HG1 THR 14 HG1 THR 14 -0.005 -11.174 5.370 112 HG21 THR 14 3HG2 THR 14 -1.409 -13.896 3.655 113 HG22 THR 14 1HG2 THR 14 -0.079 -13.384 4.697 114 HG23 THR 14 2HG2 THR 14 -0.178 -12.788 3.040 115 H LYS 15 H LYS 15 -4.361 -11.345 5.167 116 HA LYS 15 HA LYS 15 -5.487 -8.765 4.875 117 HB2 LYS 15 2HB LYS 15 -6.531 -10.705 6.082 118 HB3 LYS 15 3HB LYS 15 -5.388 -10.485 7.392 119 HG2 LYS 15 2HG LYS 15 -7.265 -8.242 6.604 120 HG3 LYS 15 3HG LYS 15 -7.835 -9.566 7.616 121 HD2 LYS 15 2HD LYS 15 -6.074 -9.027 9.289 122 HD3 LYS 15 3HD LYS 15 -5.541 -7.677 8.285 123 HE2 LYS 15 2HE LYS 15 -7.748 -6.598 8.566 124 HE3 LYS 15 3HE LYS 15 -8.292 -7.958 9.550 125 HZ1 LYS 15 3HZ LYS 15 -6.652 -7.412 11.198 126 HZ2 LYS 15 1HZ LYS 15 -7.585 -6.038 10.876 127 HZ3 LYS 15 2HZ LYS 15 -6.020 -6.170 10.244 128 H GLU 16 H GLU 16 -2.725 -9.932 6.762 129 HA GLU 16 HA GLU 16 -2.171 -7.628 8.312 130 HB2 GLU 16 2HB GLU 16 -0.306 -9.810 7.294 131 HB3 GLU 16 3HB GLU 16 0.154 -8.609 8.497 132 HG2 GLU 16 2HG GLU 16 -2.091 -10.624 8.837 133 HG3 GLU 16 3HG GLU 16 -0.456 -10.820 9.464 134 H GLN 17 H GLN 17 -0.803 -8.672 5.178 135 HA GLN 17 HA GLN 17 0.912 -6.442 4.761 136 HB2 GLN 17 2HB GLN 17 -0.271 -8.464 2.809 137 HB3 GLN 17 3HB GLN 17 0.985 -7.305 2.378 138 HG2 GLN 17 2HG GLN 17 2.570 -8.334 3.865 139 HG3 GLN 17 3HG GLN 17 1.325 -9.343 4.599 140 HE21 GLN 17 1HE2 GLN 17 3.850 -10.104 3.271 141 HE22 GLN 17 2HE2 GLN 17 3.399 -11.195 2.013 142 H LEU 18 H LEU 18 -2.332 -7.197 3.576 143 HA LEU 18 HA LEU 18 -2.710 -4.963 1.868 144 HB2 LEU 18 2HB LEU 18 -3.893 -7.298 2.032 145 HB3 LEU 18 3HB LEU 18 -4.943 -6.531 3.201 146 HG LEU 18 HG LEU 18 -4.641 -5.475 0.363 147 HD11 LEU 18 1HD1 LEU 18 -6.682 -7.521 1.311 148 HD12 LEU 18 2HD1 LEU 18 -5.345 -7.827 0.202 149 HD13 LEU 18 3HD1 LEU 18 -6.648 -6.745 -0.277 150 HD21 LEU 18 3HD2 LEU 18 -6.860 -4.478 0.749 151 HD22 LEU 18 1HD2 LEU 18 -5.690 -3.909 1.937 152 HD23 LEU 18 2HD2 LEU 18 -6.881 -5.131 2.391 153 H ALA 19 H ALA 19 -3.349 -5.483 5.311 154 HA ALA 19 HA ALA 19 -4.975 -3.216 5.835 155 HB1 ALA 19 3HB ALA 19 -3.186 -4.744 7.749 156 HB2 ALA 19 1HB ALA 19 -4.858 -5.143 7.352 157 HB3 ALA 19 2HB ALA 19 -4.488 -3.643 8.205 158 H GLU 20 H GLU 20 -1.440 -3.676 6.026 159 HA GLU 20 HA GLU 20 -0.786 -1.120 7.091 160 HB2 GLU 20 2HB GLU 20 0.885 -3.038 5.415 161 HB3 GLU 20 3HB GLU 20 1.531 -1.616 6.232 162 HG2 GLU 20 2HG GLU 20 0.257 -4.028 7.568 163 HG3 GLU 20 3HG GLU 20 1.978 -3.638 7.517 164 H LEU 21 H LEU 21 -1.192 -2.293 3.798 165 HA LEU 21 HA LEU 21 -0.403 0.037 2.386 166 HB2 LEU 21 2HB LEU 21 -2.437 -2.083 1.584 167 HB3 LEU 21 3HB LEU 21 -1.641 -0.961 0.490 168 HG LEU 21 HG LEU 21 -0.303 -3.203 2.054 169 HD11 LEU 21 1HD1 LEU 21 -0.711 -2.936 -0.932 170 HD12 LEU 21 2HD1 LEU 21 -1.572 -4.038 0.144 171 HD13 LEU 21 3HD1 LEU 21 0.160 -4.236 -0.109 172 HD21 LEU 21 3HD2 LEU 21 1.777 -2.621 0.885 173 HD22 LEU 21 1HD2 LEU 21 1.224 -1.318 1.935 174 HD23 LEU 21 2HD2 LEU 21 0.990 -1.201 0.187 175 H LYS 22 H LYS 22 -3.496 -0.946 3.841 176 HA LYS 22 HA LYS 22 -5.064 1.268 2.978 177 HB2 LYS 22 2HB LYS 22 -5.398 -0.577 5.376 178 HB3 LYS 22 3HB LYS 22 -6.573 0.661 4.936 179 HG2 LYS 22 2HG LYS 22 -6.762 -0.465 2.676 180 HG3 LYS 22 3HG LYS 22 -5.789 -1.785 3.330 181 HD2 LYS 22 2HD LYS 22 -7.488 -2.373 4.921 182 HD3 LYS 22 3HD LYS 22 -8.373 -0.870 4.643 183 HE2 LYS 22 2HE LYS 22 -8.052 -3.129 2.638 184 HE3 LYS 22 3HE LYS 22 -9.503 -2.776 3.575 185 HZ1 LYS 22 3HZ LYS 22 -9.558 -1.908 1.279 186 HZ2 LYS 22 1HZ LYS 22 -8.272 -0.875 1.649 187 HZ3 LYS 22 2HZ LYS 22 -9.755 -0.706 2.445 188 H VAL 23 H VAL 23 -3.037 0.761 5.868 189 HA VAL 23 HA VAL 23 -3.744 3.048 7.344 190 HB VAL 23 HB VAL 23 -1.036 1.627 7.251 191 HG11 VAL 23 1HG1 VAL 23 -0.723 3.849 8.242 192 HG12 VAL 23 2HG1 VAL 23 -0.596 2.617 9.496 193 HG13 VAL 23 3HG1 VAL 23 -2.070 3.580 9.352 194 HG21 VAL 23 3HG2 VAL 23 -1.800 0.444 9.280 195 HG22 VAL 23 1HG2 VAL 23 -2.886 0.146 7.921 196 HG23 VAL 23 2HG2 VAL 23 -3.356 1.276 9.190 197 H SER 24 H SER 24 -1.433 2.705 4.670 198 HA SER 24 HA SER 24 -0.521 5.440 4.692 199 HB2 SER 24 2HB SER 24 0.830 3.648 3.664 200 HB3 SER 24 3HB SER 24 -0.429 3.364 2.462 201 HG SER 24 HG SER 24 -0.041 5.437 1.638 202 H TYR 25 H TYR 25 -2.896 3.641 2.722 203 HA TYR 25 HA TYR 25 -3.544 5.613 0.831 204 HB2 TYR 25 2HB TYR 25 -4.021 3.147 0.670 205 HB3 TYR 25 3HB TYR 25 -5.319 3.347 1.832 206 HD1 TYR 25 HD1 TYR 25 -4.241 4.146 -1.650 207 HD2 TYR 25 HD2 TYR 25 -7.510 4.163 1.110 208 HE1 TYR 25 HE1 TYR 25 -5.811 4.582 -3.500 209 HE2 TYR 25 HE2 TYR 25 -9.068 4.595 -0.743 210 HH TYR 25 HH TYR 25 -8.193 4.292 -4.008 211 H LEU 26 H LEU 26 -4.950 4.999 4.014 212 HA LEU 26 HA LEU 26 -7.260 6.664 3.728 213 HB2 LEU 26 2HB LEU 26 -5.943 5.408 6.148 214 HB3 LEU 26 3HB LEU 26 -7.426 6.337 6.255 215 HG LEU 26 HG LEU 26 -7.065 3.749 4.683 216 HD11 LEU 26 1HD1 LEU 26 -8.605 4.241 7.247 217 HD12 LEU 26 2HD1 LEU 26 -7.093 3.344 7.090 218 HD13 LEU 26 3HD1 LEU 26 -8.561 2.727 6.337 219 HD21 LEU 26 3HD2 LEU 26 -9.498 3.820 4.290 220 HD22 LEU 26 1HD2 LEU 26 -8.686 5.200 3.555 221 HD23 LEU 26 2HD2 LEU 26 -9.585 5.406 5.060 222 H LYS 27 H LYS 27 -3.964 7.392 4.615 223 HA LYS 27 HA LYS 27 -4.647 10.149 5.391 224 HB2 LYS 27 2HB LYS 27 -1.970 8.729 5.058 225 HB3 LYS 27 3HB LYS 27 -2.078 10.469 5.267 226 HG2 LYS 27 2HG LYS 27 -1.576 9.585 7.409 227 HG3 LYS 27 3HG LYS 27 -3.275 10.058 7.462 228 HD2 LYS 27 2HD LYS 27 -3.981 7.734 7.240 229 HD3 LYS 27 3HD LYS 27 -2.313 7.216 6.978 230 HE2 LYS 27 2HE LYS 27 -1.761 8.008 9.301 231 HE3 LYS 27 3HE LYS 27 -3.476 8.353 9.545 232 HZ1 LYS 27 3HZ LYS 27 -2.757 6.182 10.430 233 HZ2 LYS 27 1HZ LYS 27 -2.392 5.674 8.858 234 HZ3 LYS 27 2HZ LYS 27 -3.986 6.048 9.280 235 H ASN 28 H ASN 28 -2.751 8.584 2.760 236 HA ASN 28 HA ASN 28 -3.830 10.476 0.793 237 HB2 ASN 28 2HB ASN 28 -1.698 11.505 1.681 238 HB3 ASN 28 3HB ASN 28 -0.817 10.082 1.128 239 HD21 ASN 28 1HD2 ASN 28 0.454 11.306 -0.278 240 HD22 ASN 28 2HD2 ASN 28 -0.160 11.977 -1.744 241 H GLN 29 H GLN 29 -3.977 9.597 -1.297 242 HA GLN 29 HA GLN 29 -4.034 6.726 -1.392 243 HB2 GLN 29 2HB GLN 29 -4.541 8.711 -3.651 244 HB3 GLN 29 3HB GLN 29 -5.015 7.018 -3.625 245 HG2 GLN 29 2HG GLN 29 -6.567 7.465 -1.757 246 HG3 GLN 29 3HG GLN 29 -6.078 9.161 -1.753 247 HE21 GLN 29 1HE2 GLN 29 -8.190 9.868 -2.160 248 HE22 GLN 29 2HE2 GLN 29 -8.964 9.665 -3.686 249 H PHE 30 H PHE 30 -1.956 9.245 -2.748 250 HA PHE 30 HA PHE 30 0.034 7.196 -3.529 251 HB2 PHE 30 2HB PHE 30 -0.749 9.651 -5.165 252 HB3 PHE 30 3HB PHE 30 0.686 8.682 -5.478 253 HD1 PHE 30 HD1 PHE 30 -3.028 8.665 -5.505 254 HD2 PHE 30 HD2 PHE 30 0.528 6.557 -6.637 255 HE1 PHE 30 HE1 PHE 30 -4.350 7.158 -6.938 256 HE2 PHE 30 HE2 PHE 30 -0.811 5.057 -8.054 257 HZ PHE 30 HZ PHE 30 -3.252 5.353 -8.207 258 HA PRO 31 HA PRO 31 2.178 10.254 -0.735 259 HB2 PRO 31 2HB PRO 31 3.408 8.475 0.875 260 HB3 PRO 31 3HB PRO 31 1.678 8.809 1.054 261 HG2 PRO 31 2HG PRO 31 3.023 6.518 -0.391 262 HG3 PRO 31 3HG PRO 31 1.686 6.463 0.781 263 HD2 PRO 31 2HD PRO 31 1.288 6.400 -1.934 264 HD3 PRO 31 3HD PRO 31 0.102 7.094 -0.805 265 H HIS 32 H HIS 32 4.684 10.143 -0.060 266 HA HIS 32 HA HIS 32 6.309 9.988 -2.406 267 HB2 HIS 32 2HB HIS 32 7.062 10.259 0.533 268 HB3 HIS 32 3HB HIS 32 8.236 10.337 -0.773 269 HD2 HIS 32 HD2 HIS 32 4.990 12.401 0.254 270 HE1 HIS 32 HE1 HIS 32 7.861 14.957 -1.517 271 HE2 HIS 32 HE2 HIS 32 5.735 14.844 -0.159 272 H ASP 33 H ASP 33 8.242 8.620 -2.703 273 HA ASP 33 HA ASP 33 7.631 5.864 -2.570 274 HB2 ASP 33 2HB ASP 33 9.857 5.498 -3.560 275 HB3 ASP 33 3HB ASP 33 8.995 6.805 -4.360 276 H SER 34 H SER 34 9.485 7.897 -0.399 277 HA SER 34 HA SER 34 10.847 5.934 1.125 278 HB2 SER 34 2HB SER 34 11.011 7.688 2.879 279 HB3 SER 34 3HB SER 34 11.386 8.336 1.283 280 HG SER 34 HG SER 34 10.011 9.784 2.180 281 H GLU 35 H GLU 35 7.594 7.306 1.478 282 HA GLU 35 HA GLU 35 6.798 5.999 3.874 283 HB2 GLU 35 2HB GLU 35 5.646 7.974 2.799 284 HB3 GLU 35 3HB GLU 35 5.041 6.902 1.546 285 HG2 GLU 35 2HG GLU 35 3.274 7.302 3.128 286 HG3 GLU 35 3HG GLU 35 3.793 5.624 3.299 287 H ILE 36 H ILE 36 6.656 5.102 0.482 288 HA ILE 36 HA ILE 36 5.218 2.656 0.720 289 HB ILE 36 HB ILE 36 7.125 3.685 -1.428 290 HG12 ILE 36 2HG1 ILE 36 4.063 3.656 -1.383 291 HG13 ILE 36 3HG1 ILE 36 5.047 5.058 -0.973 292 HG21 ILE 36 1HG2 ILE 36 6.977 1.247 -1.644 293 HG22 ILE 36 2HG2 ILE 36 6.112 2.024 -2.969 294 HG23 ILE 36 3HG2 ILE 36 5.214 1.326 -1.620 295 HD11 ILE 36 3HD1 ILE 36 5.910 5.127 -3.252 296 HD12 ILE 36 1HD1 ILE 36 4.149 5.209 -3.215 297 HD13 ILE 36 2HD1 ILE 36 4.947 3.704 -3.665 298 H ILE 37 H ILE 37 8.687 3.469 0.917 299 HA ILE 37 HA ILE 37 9.700 0.804 1.058 300 HB ILE 37 HB ILE 37 10.909 3.392 2.137 301 HG12 ILE 37 2HG1 ILE 37 11.566 1.900 -0.452 302 HG13 ILE 37 3HG1 ILE 37 10.491 3.286 -0.369 303 HG21 ILE 37 1HG2 ILE 37 12.281 0.704 1.706 304 HG22 ILE 37 2HG2 ILE 37 11.947 1.460 3.264 305 HG23 ILE 37 3HG2 ILE 37 13.093 2.209 2.154 306 HD11 ILE 37 3HD1 ILE 37 13.431 3.280 0.300 307 HD12 ILE 37 1HD1 ILE 37 12.354 4.677 0.411 308 HD13 ILE 37 2HD1 ILE 37 12.676 3.932 -1.154 309 H ARG 38 H ARG 38 8.537 3.081 3.561 310 HA ARG 38 HA ARG 38 8.973 1.563 5.881 311 HB2 ARG 38 2HB ARG 38 8.169 3.825 6.110 312 HB3 ARG 38 3HB ARG 38 6.733 3.494 5.151 313 HG2 ARG 38 2HG ARG 38 5.817 2.092 6.946 314 HG3 ARG 38 3HG ARG 38 7.280 2.324 7.904 315 HD2 ARG 38 2HD ARG 38 5.431 4.582 7.046 316 HD3 ARG 38 3HD ARG 38 5.334 3.759 8.606 317 HE ARG 38 HE ARG 38 7.801 4.526 8.793 318 HH11 ARG 38 1HH1 ARG 38 5.314 6.430 7.309 319 HH12 ARG 38 2HH1 ARG 38 6.054 7.917 7.786 320 HH21 ARG 38 1HH2 ARG 38 8.701 6.443 9.374 321 HH22 ARG 38 2HH2 ARG 38 7.935 7.923 8.924 322 H LEU 39 H LEU 39 6.222 1.485 3.610 323 HA LEU 39 HA LEU 39 4.763 -0.616 4.818 324 HB2 LEU 39 2HB LEU 39 4.814 0.140 1.875 325 HB3 LEU 39 3HB LEU 39 3.559 -0.786 2.686 326 HG LEU 39 HG LEU 39 4.210 2.140 3.215 327 HD11 LEU 39 1HD1 LEU 39 3.171 1.814 1.023 328 HD12 LEU 39 2HD1 LEU 39 2.090 2.655 2.127 329 HD13 LEU 39 3HD1 LEU 39 1.828 0.945 1.775 330 HD21 LEU 39 3HD2 LEU 39 3.374 1.068 5.249 331 HD22 LEU 39 1HD2 LEU 39 1.977 0.437 4.372 332 HD23 LEU 39 2HD2 LEU 39 2.174 2.177 4.597 333 H MET 40 H MET 40 7.374 -0.662 2.375 334 HA MET 40 HA MET 40 7.332 -3.415 1.696 335 HB2 MET 40 2HB MET 40 9.610 -1.393 1.676 336 HB3 MET 40 3HB MET 40 9.780 -3.020 1.033 337 HG2 MET 40 2HG MET 40 8.195 -2.579 -0.712 338 HG3 MET 40 3HG MET 40 7.724 -1.049 0.019 339 HE1 MET 40 3HE MET 40 11.863 -1.721 -1.947 340 HE2 MET 40 1HE MET 40 10.643 -2.987 -1.812 341 HE3 MET 40 2HE MET 40 11.455 -2.386 -0.364 342 H LYS 41 H LYS 41 8.895 -1.696 4.365 343 HA LYS 41 HA LYS 41 10.474 -3.881 5.343 344 HB2 LYS 41 2HB LYS 41 9.612 -1.266 6.630 345 HB3 LYS 41 3HB LYS 41 10.707 -2.406 7.411 346 HG2 LYS 41 2HG LYS 41 12.347 -2.116 5.621 347 HG3 LYS 41 3HG LYS 41 11.241 -1.059 4.741 348 HD2 LYS 41 2HD LYS 41 11.357 0.601 6.565 349 HD3 LYS 41 3HD LYS 41 12.429 -0.461 7.482 350 HE2 LYS 41 2HE LYS 41 14.170 -0.236 5.790 351 HE3 LYS 41 3HE LYS 41 13.091 0.687 4.744 352 HZ1 LYS 41 3HZ LYS 41 14.627 2.124 5.920 353 HZ2 LYS 41 1HZ LYS 41 14.067 1.552 7.412 354 HZ3 LYS 41 2HZ LYS 41 13.038 2.434 6.408 355 H ILE 42 H ILE 42 7.121 -3.022 5.799 356 HA ILE 42 HA ILE 42 6.864 -4.772 8.174 357 HB ILE 42 HB ILE 42 4.709 -2.971 6.982 358 HG12 ILE 42 2HG1 ILE 42 6.630 -1.566 7.668 359 HG13 ILE 42 3HG1 ILE 42 5.270 -1.306 8.748 360 HG21 ILE 42 1HG2 ILE 42 4.909 -4.299 9.715 361 HG22 ILE 42 2HG2 ILE 42 3.807 -4.744 8.413 362 HG23 ILE 42 3HG2 ILE 42 3.634 -3.184 9.214 363 HD11 ILE 42 3HD1 ILE 42 6.357 -2.728 10.432 364 HD12 ILE 42 1HD1 ILE 42 7.359 -1.356 9.962 365 HD13 ILE 42 2HD1 ILE 42 7.726 -2.965 9.341 366 H THR 43 H THR 43 5.699 -4.466 4.834 367 HA THR 43 HA THR 43 3.899 -6.754 4.994 368 HB THR 43 HB THR 43 3.353 -6.301 2.633 369 HG1 THR 43 HG1 THR 43 4.821 -4.000 2.333 370 HG21 THR 43 3HG2 THR 43 3.469 -3.713 4.234 371 HG22 THR 43 1HG2 THR 43 2.173 -4.910 4.298 372 HG23 THR 43 2HG2 THR 43 2.456 -3.996 2.817 373 H GLY 44 H GLY 44 7.162 -6.070 3.891 374 HA2 GLY 44 2HA GLY 44 8.849 -7.477 3.155 375 HA3 GLY 44 3HA GLY 44 7.746 -8.839 3.270 376 H LEU 45 H LEU 45 6.371 -6.351 1.449 377 HA LEU 45 HA LEU 45 6.823 -7.722 -1.109 378 HB2 LEU 45 2HB LEU 45 4.987 -5.397 -0.391 379 HB3 LEU 45 3HB LEU 45 5.013 -6.232 -1.939 380 HG LEU 45 HG LEU 45 4.195 -7.474 0.724 381 HD11 LEU 45 1HD1 LEU 45 1.915 -7.542 -0.221 382 HD12 LEU 45 2HD1 LEU 45 2.476 -6.668 -1.648 383 HD13 LEU 45 3HD1 LEU 45 2.509 -5.890 -0.064 384 HD21 LEU 45 3HD2 LEU 45 4.202 -8.692 -2.060 385 HD22 LEU 45 1HD2 LEU 45 3.489 -9.432 -0.622 386 HD23 LEU 45 2HD2 LEU 45 5.227 -9.162 -0.702 387 H THR 46 H THR 46 6.716 -5.868 -3.033 388 HA THR 46 HA THR 46 9.041 -4.066 -2.560 389 HB THR 46 HB THR 46 9.559 -4.121 -4.920 390 HG1 THR 46 HG1 THR 46 7.470 -5.940 -5.509 391 HG21 THR 46 3HG2 THR 46 8.968 -6.960 -4.024 392 HG22 THR 46 1HG2 THR 46 10.445 -6.054 -3.688 393 HG23 THR 46 2HG2 THR 46 10.043 -6.505 -5.348 394 H LYS 47 H LYS 47 8.989 -2.098 -4.054 395 HA LYS 47 HA LYS 47 6.858 -0.391 -3.557 396 HB2 LYS 47 2HB LYS 47 9.170 0.272 -4.265 397 HB3 LYS 47 3HB LYS 47 8.809 -0.272 -5.895 398 HG2 LYS 47 2HG LYS 47 7.006 1.462 -6.021 399 HG3 LYS 47 3HG LYS 47 7.506 2.046 -4.434 400 HD2 LYS 47 2HD LYS 47 9.185 2.053 -6.980 401 HD3 LYS 47 3HD LYS 47 8.436 3.457 -6.225 402 HE2 LYS 47 2HE LYS 47 10.666 3.642 -5.538 403 HE3 LYS 47 3HE LYS 47 9.932 2.833 -4.156 404 HZ1 LYS 47 3HZ LYS 47 12.075 1.882 -4.866 405 HZ2 LYS 47 1HZ LYS 47 11.381 1.431 -6.341 406 HZ3 LYS 47 2HZ LYS 47 10.820 0.753 -4.896 407 H GLY 48 H GLY 48 7.345 -2.613 -6.253 408 HA2 GLY 48 2HA GLY 48 5.453 -1.695 -8.103 409 HA3 GLY 48 3HA GLY 48 6.063 -3.332 -7.993 410 H GLU 49 H GLU 49 5.021 -4.237 -5.581 411 HA GLU 49 HA GLU 49 2.306 -4.858 -6.253 412 HB2 GLU 49 2HB GLU 49 3.882 -5.340 -3.688 413 HB3 GLU 49 3HB GLU 49 2.220 -5.864 -3.878 414 HG2 GLU 49 2HG GLU 49 3.467 -7.779 -4.319 415 HG3 GLU 49 3HG GLU 49 3.020 -7.194 -5.918 416 H ILE 50 H ILE 50 3.758 -2.539 -4.089 417 HA ILE 50 HA ILE 50 1.380 -1.841 -2.635 418 HB ILE 50 HB ILE 50 4.076 -0.440 -2.879 419 HG12 ILE 50 2HG1 ILE 50 3.031 -2.374 -0.746 420 HG13 ILE 50 3HG1 ILE 50 4.194 -2.783 -1.999 421 HG21 ILE 50 1HG2 ILE 50 3.496 0.707 -0.761 422 HG22 ILE 50 2HG2 ILE 50 1.877 0.006 -0.827 423 HG23 ILE 50 3HG2 ILE 50 2.399 1.146 -2.068 424 HD11 ILE 50 3HD1 ILE 50 4.628 -0.827 0.255 425 HD12 ILE 50 1HD1 ILE 50 5.800 -1.222 -1.005 426 HD13 ILE 50 2HD1 ILE 50 5.276 -2.462 0.134 427 H LYS 51 H LYS 51 3.174 -0.316 -5.318 428 HA LYS 51 HA LYS 51 1.477 1.934 -5.704 429 HB2 LYS 51 2HB LYS 51 3.447 0.505 -7.526 430 HB3 LYS 51 3HB LYS 51 2.563 1.929 -8.057 431 HG2 LYS 51 2HG LYS 51 4.399 1.880 -5.631 432 HG3 LYS 51 3HG LYS 51 4.899 2.388 -7.246 433 HD2 LYS 51 2HD LYS 51 2.704 3.700 -5.588 434 HD3 LYS 51 3HD LYS 51 4.344 4.321 -5.789 435 HE2 LYS 51 2HE LYS 51 3.934 4.542 -8.236 436 HE3 LYS 51 3HE LYS 51 2.283 3.971 -7.998 437 HZ1 LYS 51 3HZ LYS 51 2.271 6.330 -8.128 438 HZ2 LYS 51 1HZ LYS 51 3.473 6.474 -6.947 439 HZ3 LYS 51 2HZ LYS 51 1.940 5.911 -6.523 440 H LYS 52 H LYS 52 1.546 -1.301 -7.203 441 HA LYS 52 HA LYS 52 -0.653 -1.093 -8.923 442 HB2 LYS 52 2HB LYS 52 0.794 -3.353 -7.604 443 HB3 LYS 52 3HB LYS 52 -0.827 -3.734 -8.157 444 HG2 LYS 52 2HG LYS 52 1.191 -2.487 -10.039 445 HG3 LYS 52 3HG LYS 52 1.198 -4.220 -9.718 446 HD2 LYS 52 2HD LYS 52 -0.098 -3.993 -11.695 447 HD3 LYS 52 3HD LYS 52 -1.283 -4.218 -10.414 448 HE2 LYS 52 2HE LYS 52 -1.560 -1.684 -10.385 449 HE3 LYS 52 3HE LYS 52 -0.569 -1.637 -11.843 450 HZ1 LYS 52 3HZ LYS 52 -2.267 -3.215 -12.816 451 HZ2 LYS 52 1HZ LYS 52 -2.797 -1.632 -12.536 452 HZ3 LYS 52 2HZ LYS 52 -3.237 -2.866 -11.472 453 H TRP 53 H TRP 53 -0.527 -1.828 -5.451 454 HA TRP 53 HA TRP 53 -3.260 -2.494 -5.142 455 HB2 TRP 53 2HB TRP 53 -1.462 -3.077 -3.488 456 HB3 TRP 53 3HB TRP 53 -1.380 -1.383 -3.012 457 HD1 TRP 53 HD1 TRP 53 -3.580 -4.502 -2.635 458 HE1 TRP 53 HE1 TRP 53 -5.364 -4.047 -0.849 459 HE3 TRP 53 HE3 TRP 53 -2.753 0.483 -1.881 460 HZ2 TRP 53 HZ2 TRP 53 -6.313 -1.879 0.667 461 HZ3 TRP 53 HZ3 TRP 53 -4.150 1.677 -0.260 462 HH2 TRP 53 HH2 TRP 53 -5.901 0.523 0.995 463 H PHE 54 H PHE 54 -1.521 0.616 -4.615 464 HA PHE 54 HA PHE 54 -3.648 2.175 -3.660 465 HB2 PHE 54 2HB PHE 54 -1.202 2.987 -5.276 466 HB3 PHE 54 3HB PHE 54 -2.323 4.162 -4.602 467 HD1 PHE 54 HD2 PHE 54 -2.837 2.884 -1.907 468 HD2 PHE 54 HD1 PHE 54 0.796 3.494 -4.084 469 HE1 PHE 54 HE2 PHE 54 -1.580 2.961 0.203 470 HE2 PHE 54 HE1 PHE 54 2.042 3.580 -1.965 471 HZ PHE 54 HZ PHE 54 0.858 3.314 0.178 472 H SER 55 H SER 55 -2.644 1.570 -7.012 473 HA SER 55 HA SER 55 -4.507 3.318 -8.293 474 HB2 SER 55 2HB SER 55 -2.438 2.563 -9.400 475 HB3 SER 55 3HB SER 55 -3.019 0.899 -9.399 476 HG SER 55 HG SER 55 -3.963 1.353 -11.212 477 H ASP 56 H ASP 56 -4.527 -0.250 -7.869 478 HA ASP 56 HA ASP 56 -7.060 -0.703 -9.069 479 HB2 ASP 56 2HB ASP 56 -5.267 -2.396 -7.307 480 HB3 ASP 56 3HB ASP 56 -6.847 -2.986 -7.816 481 H THR 57 H THR 57 -6.196 0.158 -5.765 482 HA THR 57 HA THR 57 -8.738 -0.473 -4.588 483 HB THR 57 HB THR 57 -6.570 1.405 -3.539 484 HG1 THR 57 HG1 THR 57 -5.630 -0.428 -3.095 485 HG21 THR 57 3HG2 THR 57 -8.920 0.160 -2.049 486 HG22 THR 57 1HG2 THR 57 -8.760 1.871 -2.448 487 HG23 THR 57 2HG2 THR 57 -7.629 1.120 -1.322 488 H ARG 58 H ARG 58 -7.472 2.400 -6.276 489 HA ARG 58 HA ARG 58 -9.682 4.129 -5.757 490 HB2 ARG 58 2HB ARG 58 -7.930 3.990 -8.236 491 HB3 ARG 58 3HB ARG 58 -9.076 5.281 -7.890 492 HG2 ARG 58 2HG ARG 58 -7.710 5.671 -5.732 493 HG3 ARG 58 3HG ARG 58 -6.481 4.642 -6.478 494 HD2 ARG 58 2HD ARG 58 -7.576 7.266 -7.547 495 HD3 ARG 58 3HD ARG 58 -5.947 6.961 -6.940 496 HE ARG 58 HE ARG 58 -6.207 5.219 -9.029 497 HH11 ARG 58 1HH1 ARG 58 -6.490 8.666 -8.752 498 HH12 ARG 58 2HH1 ARG 58 -6.090 8.925 -10.413 499 HH21 ARG 58 1HH2 ARG 58 -5.727 5.603 -11.143 500 HH22 ARG 58 2HH2 ARG 58 -5.650 7.224 -11.731 501 H TYR 59 H TYR 59 -9.122 1.660 -8.271 502 HA TYR 59 HA TYR 59 -11.613 1.855 -9.604 503 HB2 TYR 59 2HB TYR 59 -9.767 0.631 -10.637 504 HB3 TYR 59 3HB TYR 59 -9.717 -0.514 -9.301 505 HD1 TYR 59 HD2 TYR 59 -11.783 0.611 -12.203 506 HD2 TYR 59 HD1 TYR 59 -11.167 -2.453 -9.291 507 HE1 TYR 59 HE2 TYR 59 -13.398 -0.827 -13.369 508 HE2 TYR 59 HE1 TYR 59 -12.786 -3.887 -10.445 509 HH TYR 59 HH TYR 59 -14.762 -3.561 -11.994 510 H ASN 60 H ASN 60 -10.574 0.040 -6.769 511 HA ASN 60 HA ASN 60 -12.894 -1.506 -6.308 512 HB2 ASN 60 2HB ASN 60 -10.637 -1.941 -5.338 513 HB3 ASN 60 3HB ASN 60 -10.776 -0.492 -4.354 514 HD21 ASN 60 1HD2 ASN 60 -11.900 -3.768 -4.804 515 HD22 ASN 60 2HD2 ASN 60 -12.568 -3.954 -3.226 516 H GLN 61 H GLN 61 -12.157 1.867 -5.625 517 HA GLN 61 HA GLN 61 -14.385 2.342 -3.831 518 HB2 GLN 61 2HB GLN 61 -12.534 4.286 -5.265 519 HB3 GLN 61 3HB GLN 61 -13.750 4.765 -4.089 520 HG2 GLN 61 2HG GLN 61 -11.437 2.913 -3.454 521 HG3 GLN 61 3HG GLN 61 -11.387 4.658 -3.231 522 HE21 GLN 61 1HE2 GLN 61 -11.056 4.488 -1.014 523 HE22 GLN 61 2HE2 GLN 61 -12.291 3.981 0.079 524 H ARG 62 H ARG 62 -13.717 3.121 -7.293 525 HA ARG 62 HA ARG 62 -16.246 4.417 -7.738 526 HB2 ARG 62 2HB ARG 62 -15.674 4.405 -10.119 527 HB3 ARG 62 3HB ARG 62 -14.292 4.914 -9.158 528 HG2 ARG 62 2HG ARG 62 -13.203 2.773 -9.459 529 HG3 ARG 62 3HG ARG 62 -14.636 2.092 -10.227 530 HD2 ARG 62 2HD ARG 62 -12.944 4.345 -11.359 531 HD3 ARG 62 3HD ARG 62 -12.865 2.658 -11.873 532 HE ARG 62 HE ARG 62 -14.926 4.614 -12.506 533 HH11 ARG 62 1HH1 ARG 62 -14.149 1.231 -12.546 534 HH12 ARG 62 2HH1 ARG 62 -15.315 0.875 -13.762 535 HH21 ARG 62 1HH2 ARG 62 -16.403 4.114 -14.051 536 HH22 ARG 62 2HH2 ARG 62 -16.570 2.484 -14.606 537 H ASN 63 H ASN 63 -15.182 1.105 -7.918 538 HA ASN 63 HA ASN 63 -17.774 0.168 -9.010 539 HB2 ASN 63 2HB ASN 63 -15.644 -0.470 -10.230 540 HB3 ASN 63 3HB ASN 63 -15.107 -1.324 -8.789 541 HD21 ASN 63 1HD2 ASN 63 -16.045 -3.338 -8.308 542 HD22 ASN 63 2HD2 ASN 63 -17.038 -4.190 -9.435 543 H SER 64 H SER 64 -17.854 1.086 -6.431 544 HA SER 64 HA SER 64 -17.414 -1.048 -4.486 545 HB2 SER 64 2HB SER 64 -18.234 0.654 -2.829 546 HB3 SER 64 3HB SER 64 -16.886 1.235 -3.803 547 HG SER 64 HG SER 64 -18.176 2.872 -4.128 548 H LYS 65 H LYS 65 -19.075 -2.123 -6.191 549 HA LYS 65 HA LYS 65 -21.379 -2.832 -4.628 550 HB2 LYS 65 2HB LYS 65 -22.172 -0.787 -5.945 551 HB3 LYS 65 3HB LYS 65 -21.916 -1.696 -7.423 552 HG2 LYS 65 2HG LYS 65 -23.797 -2.710 -5.268 553 HG3 LYS 65 3HG LYS 65 -24.328 -1.505 -6.440 554 HD2 LYS 65 2HD LYS 65 -23.888 -3.066 -8.288 555 HD3 LYS 65 3HD LYS 65 -23.242 -4.258 -7.160 556 HE2 LYS 65 2HE LYS 65 -25.539 -4.834 -7.823 557 HE3 LYS 65 3HE LYS 65 -25.456 -4.471 -6.098 558 HZ1 LYS 65 3HZ LYS 65 -26.414 -2.611 -8.211 559 HZ2 LYS 65 1HZ LYS 65 -26.333 -2.267 -6.556 560 HZ3 LYS 65 2HZ LYS 65 -27.387 -3.461 -7.119 561 H SER 66 H SER 66 -21.670 -5.037 -4.917 562 HA SER 66 HA SER 66 -20.972 -7.159 -5.374 563 HB2 SER 66 2HB SER 66 -20.953 -6.190 -8.275 564 HB3 SER 66 3HB SER 66 -20.938 -7.880 -7.764 565 HG SER 66 HG SER 66 -22.978 -6.688 -6.543 566 H ASN 67 H ASN 67 -19.047 -5.310 -4.587 567 HA ASN 67 HA ASN 67 -16.752 -5.198 -6.315 568 HB2 ASN 67 2HB ASN 67 -17.593 -3.324 -4.875 569 HB3 ASN 67 3HB ASN 67 -17.134 -4.244 -3.445 570 HD21 ASN 67 1HD2 ASN 67 -15.775 -2.583 -2.803 571 HD22 ASN 67 2HD2 ASN 67 -14.281 -2.258 -3.572 572 H GLN 68 H GLN 68 -15.652 -7.052 -6.534 573 HA GLN 68 HA GLN 68 -14.165 -8.199 -4.338 574 HB2 GLN 68 2HB GLN 68 -15.032 -10.506 -4.618 575 HB3 GLN 68 3HB GLN 68 -16.317 -9.415 -4.114 576 HG2 GLN 68 2HG GLN 68 -17.113 -9.292 -6.468 577 HG3 GLN 68 3HG GLN 68 -15.857 -10.435 -6.937 578 HE21 GLN 68 1HE2 GLN 68 -18.908 -10.041 -5.313 579 HE22 GLN 68 2HE2 GLN 68 -19.279 -11.718 -5.162 580 H CYS 69 H CYS 69 -12.816 -10.170 -5.251 581 HA CYS 69 HA CYS 69 -11.472 -9.329 -7.660 582 HB2 CYS 69 2HB CYS 69 -11.076 -11.825 -5.961 583 HB3 CYS 69 3HB CYS 69 -10.006 -11.306 -7.263 584 HG CYS 69 HG CYS 69 -9.353 -8.863 -5.942 585 H LEU 70 H LEU 70 -13.021 -9.459 -9.300 586 HA LEU 70 HA LEU 70 -14.376 -11.899 -10.023 587 HB2 LEU 70 2HB LEU 70 -14.005 -9.288 -11.537 588 HB3 LEU 70 3HB LEU 70 -15.023 -10.609 -12.090 589 HG LEU 70 HG LEU 70 -15.467 -8.971 -9.555 590 HD11 LEU 70 1HD1 LEU 70 -15.977 -7.690 -11.582 591 HD12 LEU 70 2HD1 LEU 70 -17.448 -8.075 -10.694 592 HD13 LEU 70 3HD1 LEU 70 -17.039 -8.981 -12.152 593 HD21 LEU 70 3HD2 LEU 70 -16.230 -11.275 -9.215 594 HD22 LEU 70 1HD2 LEU 70 -17.165 -11.215 -10.714 595 HD23 LEU 70 2HD2 LEU 70 -17.609 -10.189 -9.347 596 H HIS 71 H HIS 71 -14.152 -12.723 -12.367 597 HA HIS 71 HA HIS 71 -11.276 -13.166 -12.982 598 HB2 HIS 71 2HB HIS 71 -13.503 -15.250 -12.892 599 HB3 HIS 71 3HB HIS 71 -11.858 -15.562 -13.443 600 HD1 HIS 71 HD1 HIS 71 -9.949 -15.298 -11.595 601 HD2 HIS 71 HD2 HIS 71 -13.841 -15.423 -10.145 602 HE1 HIS 71 HE1 HIS 71 -9.733 -15.728 -9.139 603 HE2 HIS 71 HE2 HIS 71 -12.097 -15.964 -8.318 604 H LEU 72 H LEU 72 -10.794 -13.916 -15.124 605 HA LEU 72 HA LEU 72 -12.816 -13.383 -17.217 606 HB2 LEU 72 2HB LEU 72 -11.050 -12.382 -18.661 607 HB3 LEU 72 3HB LEU 72 -11.393 -11.421 -17.242 608 HG LEU 72 HG LEU 72 -8.949 -13.233 -17.431 609 HD11 LEU 72 1HD1 LEU 72 -7.613 -11.263 -18.021 610 HD12 LEU 72 2HD1 LEU 72 -9.072 -10.274 -18.104 611 HD13 LEU 72 3HD1 LEU 72 -8.828 -11.590 -19.254 612 HD21 LEU 72 3HD2 LEU 72 -9.530 -10.880 -15.593 613 HD22 LEU 72 1HD2 LEU 72 -8.042 -11.835 -15.622 614 HD23 LEU 72 2HD2 LEU 72 -9.559 -12.585 -15.136 615 H ASN 73 H ASN 73 -13.255 -15.564 -17.456 616 HA ASN 73 HA ASN 73 -11.239 -17.594 -17.650 617 HB2 ASN 73 2HB ASN 73 -13.535 -18.071 -16.813 618 HB3 ASN 73 3HB ASN 73 -14.185 -17.740 -18.416 619 HD21 ASN 73 1HD2 ASN 73 -12.222 -19.956 -16.538 620 HD22 ASN 73 2HD2 ASN 73 -12.323 -21.278 -17.643 621 H ASN 74 H ASN 74 -9.826 -17.438 -19.326 622 HA ASN 74 HA ASN 74 -10.860 -17.223 -22.112 623 HB2 ASN 74 2HB ASN 74 -8.215 -16.164 -21.010 624 HB3 ASN 74 3HB ASN 74 -8.715 -16.086 -22.696 625 HD21 ASN 74 1HD2 ASN 74 -11.489 -15.366 -22.118 626 HD22 ASN 74 2HD2 ASN 74 -11.454 -13.732 -21.575 Start of MODEL 5 1 H1 SER 1 1H SER 1 -7.107 -24.594 -8.013 2 H2 SER 1 2H SER 1 -6.744 -26.003 -8.873 3 H3 SER 1 3H SER 1 -8.166 -25.150 -9.205 4 HA SER 1 HA SER 1 -6.928 -23.273 -10.009 5 HB2 SER 1 2HB SER 1 -4.497 -25.007 -9.387 6 HB3 SER 1 3HB SER 1 -4.430 -23.523 -10.342 7 HG SER 1 HG SER 1 -4.816 -22.341 -8.583 8 H HIS 2 H HIS 2 -6.646 -23.083 -12.231 9 HA HIS 2 HA HIS 2 -6.191 -25.507 -13.857 10 HB2 HIS 2 2HB HIS 2 -8.709 -24.972 -13.661 11 HB3 HIS 2 3HB HIS 2 -8.380 -23.501 -14.568 12 HD1 HIS 2 HD1 HIS 2 -8.232 -27.265 -14.926 13 HD2 HIS 2 HD2 HIS 2 -8.247 -23.873 -17.335 14 HE1 HIS 2 HE1 HIS 2 -8.477 -28.114 -17.275 15 HE2 HIS 2 HE2 HIS 2 -8.485 -26.052 -18.718 16 H MET 3 H MET 3 -4.461 -25.085 -15.107 17 HA MET 3 HA MET 3 -2.640 -24.062 -15.954 18 HB2 MET 3 2HB MET 3 -4.412 -21.596 -16.284 19 HB3 MET 3 3HB MET 3 -2.781 -21.746 -16.924 20 HG2 MET 3 2HG MET 3 -3.569 -23.690 -18.302 21 HG3 MET 3 3HG MET 3 -5.210 -23.355 -17.744 22 HE1 MET 3 3HE MET 3 -6.034 -23.119 -20.356 23 HE2 MET 3 1HE MET 3 -4.381 -23.513 -20.831 24 HE3 MET 3 2HE MET 3 -5.182 -22.100 -21.517 25 HA PRO 4 HA PRO 4 -0.492 -22.422 -12.390 26 HB2 PRO 4 2HB PRO 4 1.132 -20.661 -14.223 27 HB3 PRO 4 3HB PRO 4 1.676 -21.832 -13.009 28 HG2 PRO 4 2HG PRO 4 1.795 -22.452 -15.598 29 HG3 PRO 4 3HG PRO 4 1.274 -23.670 -14.413 30 HD2 PRO 4 2HD PRO 4 -0.413 -22.024 -16.307 31 HD3 PRO 4 3HD PRO 4 -0.552 -23.746 -15.881 32 H ASP 5 H ASP 5 -2.223 -21.272 -11.444 33 HA ASP 5 HA ASP 5 -2.857 -18.534 -12.070 34 HB2 ASP 5 2HB ASP 5 -3.635 -20.349 -9.751 35 HB3 ASP 5 3HB ASP 5 -4.250 -18.709 -9.937 36 H SER 6 H SER 6 -2.217 -16.663 -11.086 37 HA SER 6 HA SER 6 -0.802 -15.177 -10.132 38 HB2 SER 6 2HB SER 6 -0.866 -17.132 -7.793 39 HB3 SER 6 3HB SER 6 -0.264 -15.478 -7.701 40 HG SER 6 HG SER 6 -2.915 -16.265 -8.372 41 H PHE 7 H PHE 7 0.386 -16.920 -11.925 42 HA PHE 7 HA PHE 7 2.764 -18.198 -11.106 43 HB2 PHE 7 2HB PHE 7 1.612 -18.632 -13.262 44 HB3 PHE 7 3HB PHE 7 2.039 -17.021 -13.825 45 HD1 PHE 7 HD1 PHE 7 3.637 -20.204 -12.604 46 HD2 PHE 7 HD2 PHE 7 4.005 -16.768 -15.131 47 HE1 PHE 7 HE1 PHE 7 5.704 -21.128 -13.573 48 HE2 PHE 7 HE2 PHE 7 6.073 -17.705 -16.093 49 HZ PHE 7 HZ PHE 7 6.920 -19.884 -15.315 50 H GLY 8 H GLY 8 4.087 -16.946 -9.797 51 HA2 GLY 8 2HA GLY 8 6.076 -15.304 -10.902 52 HA3 GLY 8 3HA GLY 8 4.841 -14.242 -10.234 53 H ILE 9 H ILE 9 7.587 -14.488 -9.364 54 HA ILE 9 HA ILE 9 7.728 -16.036 -6.936 55 HB ILE 9 HB ILE 9 9.595 -13.827 -7.923 56 HG12 ILE 9 2HG1 ILE 9 9.443 -15.667 -9.578 57 HG13 ILE 9 3HG1 ILE 9 11.029 -15.650 -8.821 58 HG21 ILE 9 1HG2 ILE 9 10.072 -15.968 -5.812 59 HG22 ILE 9 2HG2 ILE 9 9.912 -14.234 -5.531 60 HG23 ILE 9 3HG2 ILE 9 11.295 -14.853 -6.432 61 HD11 ILE 9 3HD1 ILE 9 10.377 -17.548 -7.418 62 HD12 ILE 9 1HD1 ILE 9 10.207 -17.910 -9.135 63 HD13 ILE 9 2HD1 ILE 9 8.778 -17.553 -8.167 64 H ARG 10 H ARG 10 6.725 -15.494 -5.124 65 HA ARG 10 HA ARG 10 5.844 -14.449 -3.345 66 HB2 ARG 10 2HB ARG 10 8.213 -13.006 -3.831 67 HB3 ARG 10 3HB ARG 10 7.012 -11.740 -3.647 68 HG2 ARG 10 2HG ARG 10 7.585 -13.937 -1.619 69 HG3 ARG 10 3HG ARG 10 8.193 -12.284 -1.535 70 HD2 ARG 10 2HD ARG 10 5.945 -11.414 -1.235 71 HD3 ARG 10 3HD ARG 10 5.241 -13.009 -1.510 72 HE ARG 10 HE ARG 10 6.402 -13.727 0.564 73 HH11 ARG 10 1HH1 ARG 10 5.716 -10.341 0.203 74 HH12 ARG 10 2HH1 ARG 10 5.672 -10.071 1.909 75 HH21 ARG 10 1HH2 ARG 10 6.296 -13.355 2.723 76 HH22 ARG 10 2HH2 ARG 10 5.979 -11.761 3.319 77 H ALA 11 H ALA 11 4.463 -14.374 -5.879 78 HA ALA 11 HA ALA 11 2.943 -11.890 -5.964 79 HB1 ALA 11 3HB ALA 11 1.710 -12.950 -7.801 80 HB2 ALA 11 1HB ALA 11 2.509 -14.489 -7.472 81 HB3 ALA 11 2HB ALA 11 3.451 -13.112 -8.044 82 H LYS 12 H LYS 12 2.426 -12.256 -3.562 83 HA LYS 12 HA LYS 12 -0.358 -12.933 -3.305 84 HB2 LYS 12 2HB LYS 12 0.614 -15.212 -3.046 85 HB3 LYS 12 3HB LYS 12 1.634 -14.635 -1.733 86 HG2 LYS 12 2HG LYS 12 -0.398 -14.146 -0.383 87 HG3 LYS 12 3HG LYS 12 -1.409 -14.753 -1.697 88 HD2 LYS 12 2HD LYS 12 0.644 -16.390 -0.144 89 HD3 LYS 12 3HD LYS 12 -1.101 -16.422 0.122 90 HE2 LYS 12 2HE LYS 12 -1.423 -17.287 -2.178 91 HE3 LYS 12 3HE LYS 12 0.322 -17.269 -2.432 92 HZ1 LYS 12 3HZ LYS 12 -1.140 -18.903 -0.432 93 HZ2 LYS 12 1HZ LYS 12 0.542 -18.868 -0.612 94 HZ3 LYS 12 2HZ LYS 12 -0.438 -19.466 -1.859 95 H LYS 13 H LYS 13 -1.223 -11.497 -1.903 96 HA LYS 13 HA LYS 13 0.426 -10.290 0.251 97 HB2 LYS 13 2HB LYS 13 -2.204 -9.265 -0.924 98 HB3 LYS 13 3HB LYS 13 -1.200 -8.441 0.269 99 HG2 LYS 13 2HG LYS 13 0.592 -8.191 -1.403 100 HG3 LYS 13 3HG LYS 13 -0.393 -9.047 -2.594 101 HD2 LYS 13 2HD LYS 13 -2.120 -7.218 -2.379 102 HD3 LYS 13 3HD LYS 13 -1.006 -6.350 -1.316 103 HE2 LYS 13 2HE LYS 13 -0.892 -5.499 -3.623 104 HE3 LYS 13 3HE LYS 13 0.643 -6.220 -3.136 105 HZ1 LYS 13 3HZ LYS 13 0.077 -6.906 -5.356 106 HZ2 LYS 13 1HZ LYS 13 -1.427 -7.492 -4.853 107 HZ3 LYS 13 2HZ LYS 13 -0.003 -8.241 -4.336 108 H THR 14 H THR 14 -0.058 -10.794 2.336 109 HA THR 14 HA THR 14 -2.365 -12.434 3.030 110 HB THR 14 HB THR 14 -1.496 -12.479 5.305 111 HG1 THR 14 HG1 THR 14 0.629 -11.205 5.551 112 HG21 THR 14 3HG2 THR 14 -0.325 -13.967 3.725 113 HG22 THR 14 1HG2 THR 14 0.781 -13.379 4.966 114 HG23 THR 14 2HG2 THR 14 0.824 -12.681 3.344 115 H LYS 15 H LYS 15 -3.882 -11.786 4.798 116 HA LYS 15 HA LYS 15 -5.109 -9.265 4.512 117 HB2 LYS 15 2HB LYS 15 -6.275 -11.255 5.349 118 HB3 LYS 15 3HB LYS 15 -5.262 -11.287 6.785 119 HG2 LYS 15 2HG LYS 15 -6.283 -9.189 7.575 120 HG3 LYS 15 3HG LYS 15 -7.264 -9.100 6.106 121 HD2 LYS 15 2HD LYS 15 -8.413 -11.197 6.728 122 HD3 LYS 15 3HD LYS 15 -7.399 -11.344 8.167 123 HE2 LYS 15 2HE LYS 15 -9.327 -9.056 7.641 124 HE3 LYS 15 3HE LYS 15 -9.687 -10.462 8.639 125 HZ1 LYS 15 3HZ LYS 15 -7.924 -9.826 10.144 126 HZ2 LYS 15 1HZ LYS 15 -9.003 -8.541 9.953 127 HZ3 LYS 15 2HZ LYS 15 -7.506 -8.509 9.170 128 H GLU 16 H GLU 16 -2.551 -10.340 6.639 129 HA GLU 16 HA GLU 16 -2.520 -8.194 8.515 130 HB2 GLU 16 2HB GLU 16 -1.483 -10.554 8.691 131 HB3 GLU 16 3HB GLU 16 -0.147 -9.940 7.734 132 HG2 GLU 16 2HG GLU 16 -0.960 -8.621 10.332 133 HG3 GLU 16 3HG GLU 16 0.055 -10.054 10.329 134 H GLN 17 H GLN 17 -0.521 -8.841 5.602 135 HA GLN 17 HA GLN 17 0.918 -6.393 5.515 136 HB2 GLN 17 2HB GLN 17 0.151 -8.301 3.255 137 HB3 GLN 17 3HB GLN 17 1.349 -7.013 3.114 138 HG2 GLN 17 2HG GLN 17 2.811 -8.099 4.689 139 HG3 GLN 17 3HG GLN 17 1.584 -9.296 5.095 140 HE21 GLN 17 1HE2 GLN 17 4.305 -9.704 4.109 141 HE22 GLN 17 2HE2 GLN 17 4.137 -10.659 2.679 142 H LEU 18 H LEU 18 -2.168 -7.352 4.109 143 HA LEU 18 HA LEU 18 -2.613 -5.143 2.384 144 HB2 LEU 18 2HB LEU 18 -3.639 -7.536 2.446 145 HB3 LEU 18 3HB LEU 18 -4.774 -6.895 3.611 146 HG LEU 18 HG LEU 18 -4.490 -5.759 0.799 147 HD11 LEU 18 1HD1 LEU 18 -6.399 -7.941 1.715 148 HD12 LEU 18 2HD1 LEU 18 -5.052 -8.130 0.590 149 HD13 LEU 18 3HD1 LEU 18 -6.432 -7.133 0.142 150 HD21 LEU 18 3HD2 LEU 18 -6.778 -4.903 1.164 151 HD22 LEU 18 1HD2 LEU 18 -5.649 -4.261 2.354 152 HD23 LEU 18 2HD2 LEU 18 -6.763 -5.551 2.807 153 H ALA 19 H ALA 19 -3.502 -5.770 5.760 154 HA ALA 19 HA ALA 19 -5.287 -3.594 6.161 155 HB1 ALA 19 3HB ALA 19 -3.614 -5.077 8.212 156 HB2 ALA 19 1HB ALA 19 -5.213 -5.557 7.639 157 HB3 ALA 19 2HB ALA 19 -5.018 -4.061 8.556 158 H GLU 20 H GLU 20 -1.757 -3.858 6.570 159 HA GLU 20 HA GLU 20 -1.228 -1.338 7.752 160 HB2 GLU 20 2HB GLU 20 0.564 -2.858 5.806 161 HB3 GLU 20 3HB GLU 20 1.082 -1.613 6.943 162 HG2 GLU 20 2HG GLU 20 -0.014 -4.348 7.660 163 HG3 GLU 20 3HG GLU 20 1.680 -3.877 7.689 164 H LEU 21 H LEU 21 -1.513 -2.344 4.374 165 HA LEU 21 HA LEU 21 -0.850 0.138 3.132 166 HB2 LEU 21 2HB LEU 21 -2.488 -2.184 2.046 167 HB3 LEU 21 3HB LEU 21 -1.767 -0.902 1.079 168 HG LEU 21 HG LEU 21 -0.207 -2.962 2.696 169 HD11 LEU 21 1HD1 LEU 21 0.418 -3.966 0.556 170 HD12 LEU 21 2HD1 LEU 21 -0.612 -2.819 -0.306 171 HD13 LEU 21 3HD1 LEU 21 -1.329 -4.006 0.787 172 HD21 LEU 21 3HD2 LEU 21 0.819 -0.864 0.753 173 HD22 LEU 21 1HD2 LEU 21 1.789 -2.099 1.564 174 HD23 LEU 21 2HD2 LEU 21 1.009 -0.834 2.509 175 H LYS 22 H LYS 22 -3.911 -1.285 4.245 176 HA LYS 22 HA LYS 22 -5.675 0.647 3.103 177 HB2 LYS 22 2HB LYS 22 -5.958 -1.522 5.165 178 HB3 LYS 22 3HB LYS 22 -7.202 -0.281 5.143 179 HG2 LYS 22 2HG LYS 22 -6.420 -1.943 2.729 180 HG3 LYS 22 3HG LYS 22 -7.769 -2.321 3.807 181 HD2 LYS 22 2HD LYS 22 -8.897 -0.234 3.197 182 HD3 LYS 22 3HD LYS 22 -7.507 0.289 2.241 183 HE2 LYS 22 2HE LYS 22 -9.355 -0.554 0.831 184 HE3 LYS 22 3HE LYS 22 -7.893 -1.516 0.638 185 HZ1 LYS 22 3HZ LYS 22 -9.821 -2.921 0.785 186 HZ2 LYS 22 1HZ LYS 22 -10.261 -2.244 2.271 187 HZ3 LYS 22 2HZ LYS 22 -8.849 -3.165 2.147 188 H VAL 23 H VAL 23 -4.203 0.444 6.371 189 HA VAL 23 HA VAL 23 -5.358 2.817 7.428 190 HB VAL 23 HB VAL 23 -2.739 1.423 8.161 191 HG11 VAL 23 1HG1 VAL 23 -2.588 3.747 8.937 192 HG12 VAL 23 2HG1 VAL 23 -2.836 2.684 10.321 193 HG13 VAL 23 3HG1 VAL 23 -4.182 3.636 9.688 194 HG21 VAL 23 3HG2 VAL 23 -4.048 0.512 10.069 195 HG22 VAL 23 1HG2 VAL 23 -4.746 0.037 8.518 196 HG23 VAL 23 2HG2 VAL 23 -5.492 1.325 9.464 197 H SER 24 H SER 24 -2.361 2.267 5.588 198 HA SER 24 HA SER 24 -1.406 4.944 5.513 199 HB2 SER 24 2HB SER 24 -0.000 2.995 4.875 200 HB3 SER 24 3HB SER 24 -1.004 2.734 3.449 201 HG SER 24 HG SER 24 0.043 4.280 2.459 202 H TYR 25 H TYR 25 -3.763 3.213 3.505 203 HA TYR 25 HA TYR 25 -4.036 5.143 1.422 204 HB2 TYR 25 2HB TYR 25 -4.717 2.745 1.190 205 HB3 TYR 25 3HB TYR 25 -6.040 3.017 2.318 206 HD1 TYR 25 HD1 TYR 25 -4.718 4.086 -1.022 207 HD2 TYR 25 HD2 TYR 25 -8.168 3.810 1.486 208 HE1 TYR 25 HE1 TYR 25 -6.140 4.775 -2.901 209 HE2 TYR 25 HE2 TYR 25 -9.593 4.492 -0.406 210 HH TYR 25 HH TYR 25 -8.546 4.517 -3.589 211 H LEU 26 H LEU 26 -5.814 4.601 4.459 212 HA LEU 26 HA LEU 26 -7.928 6.435 4.108 213 HB2 LEU 26 2HB LEU 26 -6.611 5.470 6.669 214 HB3 LEU 26 3HB LEU 26 -8.123 6.365 6.620 215 HG LEU 26 HG LEU 26 -7.681 3.601 5.417 216 HD11 LEU 26 1HD1 LEU 26 -7.654 3.512 7.859 217 HD12 LEU 26 2HD1 LEU 26 -9.113 2.759 7.222 218 HD13 LEU 26 3HD1 LEU 26 -9.194 4.375 7.930 219 HD21 LEU 26 3HD2 LEU 26 -10.116 3.556 5.057 220 HD22 LEU 26 1HD2 LEU 26 -9.355 4.858 4.145 221 HD23 LEU 26 2HD2 LEU 26 -10.241 5.222 5.629 222 H LYS 27 H LYS 27 -4.664 6.899 5.441 223 HA LYS 27 HA LYS 27 -5.008 9.683 6.092 224 HB2 LYS 27 2HB LYS 27 -2.554 7.908 5.855 225 HB3 LYS 27 3HB LYS 27 -2.429 9.628 6.222 226 HG2 LYS 27 2HG LYS 27 -3.837 9.275 8.243 227 HG3 LYS 27 3HG LYS 27 -3.883 7.546 7.886 228 HD2 LYS 27 2HD LYS 27 -1.477 7.360 8.223 229 HD3 LYS 27 3HD LYS 27 -1.320 9.111 8.388 230 HE2 LYS 27 2HE LYS 27 -1.215 8.036 10.583 231 HE3 LYS 27 3HE LYS 27 -2.668 9.029 10.467 232 HZ1 LYS 27 3HZ LYS 27 -3.961 7.042 10.059 233 HZ2 LYS 27 1HZ LYS 27 -3.094 6.885 11.500 234 HZ3 LYS 27 2HZ LYS 27 -2.566 6.082 10.112 235 H ASN 28 H ASN 28 -3.642 7.929 3.279 236 HA ASN 28 HA ASN 28 -4.051 10.211 1.545 237 HB2 ASN 28 2HB ASN 28 -1.879 10.808 2.600 238 HB3 ASN 28 3HB ASN 28 -1.197 9.273 2.076 239 HD21 ASN 28 1HD2 ASN 28 0.438 10.485 1.015 240 HD22 ASN 28 2HD2 ASN 28 0.142 11.226 -0.515 241 H GLN 29 H GLN 29 -4.640 9.473 -0.421 242 HA GLN 29 HA GLN 29 -4.586 6.679 -1.097 243 HB2 GLN 29 2HB GLN 29 -5.338 9.021 -2.892 244 HB3 GLN 29 3HB GLN 29 -5.745 7.329 -3.156 245 HG2 GLN 29 2HG GLN 29 -7.119 7.401 -1.061 246 HG3 GLN 29 3HG GLN 29 -6.795 9.132 -0.955 247 HE21 GLN 29 1HE2 GLN 29 -9.343 7.721 -1.274 248 HE22 GLN 29 2HE2 GLN 29 -10.063 8.345 -2.712 249 H PHE 30 H PHE 30 -2.392 9.262 -1.647 250 HA PHE 30 HA PHE 30 -1.001 7.852 -3.866 251 HB2 PHE 30 2HB PHE 30 -0.895 10.852 -3.300 252 HB3 PHE 30 3HB PHE 30 -0.272 10.015 -4.717 253 HD1 PHE 30 HD2 PHE 30 -1.874 9.117 -6.434 254 HD2 PHE 30 HD1 PHE 30 -3.219 11.500 -3.145 255 HE1 PHE 30 HE2 PHE 30 -4.010 9.517 -7.588 256 HE2 PHE 30 HE1 PHE 30 -5.354 11.889 -4.306 257 HZ PHE 30 HZ PHE 30 -5.751 10.899 -6.528 258 HA PRO 31 HA PRO 31 2.000 7.950 -0.240 259 HB2 PRO 31 2HB PRO 31 2.993 5.422 -0.538 260 HB3 PRO 31 3HB PRO 31 1.491 5.747 0.338 261 HG2 PRO 31 2HG PRO 31 1.863 4.829 -2.513 262 HG3 PRO 31 3HG PRO 31 0.746 4.205 -1.278 263 HD2 PRO 31 2HD PRO 31 -0.062 5.956 -3.204 264 HD3 PRO 31 3HD PRO 31 -0.769 5.964 -1.572 265 H HIS 32 H HIS 32 3.954 8.839 -0.572 266 HA HIS 32 HA HIS 32 5.187 9.049 -3.154 267 HB2 HIS 32 2HB HIS 32 6.255 9.811 -0.394 268 HB3 HIS 32 3HB HIS 32 6.993 10.276 -1.926 269 HD2 HIS 32 HD2 HIS 32 6.073 12.644 -2.925 270 HE1 HIS 32 HE1 HIS 32 2.537 12.845 -0.609 271 HE2 HIS 32 HE2 HIS 32 3.849 13.908 -2.489 272 H ASP 33 H ASP 33 7.125 8.074 -3.926 273 HA ASP 33 HA ASP 33 7.391 5.350 -3.408 274 HB2 ASP 33 2HB ASP 33 9.144 7.294 -4.920 275 HB3 ASP 33 3HB ASP 33 9.592 5.598 -4.790 276 H SER 34 H SER 34 9.161 7.974 -1.905 277 HA SER 34 HA SER 34 11.160 6.469 -0.553 278 HB2 SER 34 2HB SER 34 11.193 8.475 1.018 279 HB3 SER 34 3HB SER 34 11.367 8.874 -0.690 280 HG SER 34 HG SER 34 9.599 9.845 0.969 281 H GLU 35 H GLU 35 7.919 7.541 0.512 282 HA GLU 35 HA GLU 35 7.843 6.161 3.011 283 HB2 GLU 35 2HB GLU 35 6.391 8.082 2.556 284 HB3 GLU 35 3HB GLU 35 5.616 7.230 1.226 285 HG2 GLU 35 2HG GLU 35 4.666 5.599 2.851 286 HG3 GLU 35 3HG GLU 35 5.430 6.503 4.167 287 H ILE 36 H ILE 36 7.128 5.136 -0.270 288 HA ILE 36 HA ILE 36 5.726 2.725 0.357 289 HB ILE 36 HB ILE 36 7.239 3.573 -2.149 290 HG12 ILE 36 2HG1 ILE 36 4.244 3.479 -1.541 291 HG13 ILE 36 3HG1 ILE 36 5.229 4.936 -1.496 292 HG21 ILE 36 1HG2 ILE 36 6.064 1.753 -3.357 293 HG22 ILE 36 2HG2 ILE 36 5.415 1.157 -1.827 294 HG23 ILE 36 3HG2 ILE 36 7.155 1.115 -2.126 295 HD11 ILE 36 3HD1 ILE 36 3.930 4.839 -3.507 296 HD12 ILE 36 1HD1 ILE 36 4.617 3.271 -3.919 297 HD13 ILE 36 2HD1 ILE 36 5.645 4.704 -3.901 298 H ILE 37 H ILE 37 9.189 3.521 -0.041 299 HA ILE 37 HA ILE 37 10.220 0.888 0.283 300 HB ILE 37 HB ILE 37 11.514 3.553 1.030 301 HG12 ILE 37 2HG1 ILE 37 11.821 1.843 -1.488 302 HG13 ILE 37 3HG1 ILE 37 10.928 3.356 -1.389 303 HG21 ILE 37 1HG2 ILE 37 12.835 0.826 0.714 304 HG22 ILE 37 2HG2 ILE 37 12.651 1.723 2.222 305 HG23 ILE 37 3HG2 ILE 37 13.691 2.353 0.947 306 HD11 ILE 37 3HD1 ILE 37 13.098 3.645 -2.446 307 HD12 ILE 37 1HD1 ILE 37 13.907 3.040 -1.003 308 HD13 ILE 37 2HD1 ILE 37 13.009 4.560 -0.943 309 H ARG 38 H ARG 38 9.238 3.367 2.671 310 HA ARG 38 HA ARG 38 9.864 2.008 5.064 311 HB2 ARG 38 2HB ARG 38 9.113 4.318 5.152 312 HB3 ARG 38 3HB ARG 38 7.569 3.905 4.418 313 HG2 ARG 38 2HG ARG 38 6.936 2.637 6.453 314 HG3 ARG 38 3HG ARG 38 8.488 3.047 7.188 315 HD2 ARG 38 2HD ARG 38 7.880 5.451 7.113 316 HD3 ARG 38 3HD ARG 38 6.337 5.034 6.366 317 HE ARG 38 HE ARG 38 5.520 4.416 8.415 318 HH11 ARG 38 1HH1 ARG 38 8.969 4.737 8.758 319 HH12 ARG 38 2HH1 ARG 38 8.909 4.573 10.478 320 HH21 ARG 38 1HH2 ARG 38 5.491 4.228 10.607 321 HH22 ARG 38 2HH2 ARG 38 6.966 4.295 11.509 322 H LEU 39 H LEU 39 6.831 1.920 3.147 323 HA LEU 39 HA LEU 39 5.499 -0.082 4.639 324 HB2 LEU 39 2HB LEU 39 5.128 0.901 1.797 325 HB3 LEU 39 3HB LEU 39 4.078 -0.318 2.506 326 HG LEU 39 HG LEU 39 4.414 2.509 3.601 327 HD11 LEU 39 1HD1 LEU 39 3.318 2.569 1.410 328 HD12 LEU 39 2HD1 LEU 39 2.178 2.969 2.692 329 HD13 LEU 39 3HD1 LEU 39 2.137 1.368 1.945 330 HD21 LEU 39 3HD2 LEU 39 3.793 0.889 5.351 331 HD22 LEU 39 1HD2 LEU 39 2.436 0.318 4.372 332 HD23 LEU 39 2HD2 LEU 39 2.447 1.970 5.001 333 H MET 40 H MET 40 7.922 -0.361 2.096 334 HA MET 40 HA MET 40 7.568 -3.153 1.530 335 HB2 MET 40 2HB MET 40 9.933 -1.283 1.130 336 HB3 MET 40 3HB MET 40 9.977 -2.972 0.641 337 HG2 MET 40 2HG MET 40 8.213 -2.611 -0.973 338 HG3 MET 40 3HG MET 40 7.956 -0.967 -0.392 339 HE1 MET 40 3HE MET 40 10.488 -3.390 -2.202 340 HE2 MET 40 1HE MET 40 11.472 -2.710 -0.904 341 HE3 MET 40 2HE MET 40 11.813 -2.289 -2.583 342 H LYS 41 H LYS 41 9.397 -1.352 3.948 343 HA LYS 41 HA LYS 41 10.749 -3.672 5.058 344 HB2 LYS 41 2HB LYS 41 10.478 -0.820 6.105 345 HB3 LYS 41 3HB LYS 41 11.538 -2.051 6.798 346 HG2 LYS 41 2HG LYS 41 12.836 -2.152 4.720 347 HG3 LYS 41 3HG LYS 41 11.736 -1.003 3.952 348 HD2 LYS 41 2HD LYS 41 12.436 0.736 5.586 349 HD3 LYS 41 3HD LYS 41 13.549 -0.420 6.330 350 HE2 LYS 41 2HE LYS 41 14.778 -0.592 4.172 351 HE3 LYS 41 3HE LYS 41 13.682 0.595 3.464 352 HZ1 LYS 41 3HZ LYS 41 15.538 1.058 5.733 353 HZ2 LYS 41 1HZ LYS 41 14.467 2.206 5.102 354 HZ3 LYS 41 2HZ LYS 41 15.732 1.622 4.149 355 H ILE 42 H ILE 42 7.713 -2.036 5.624 356 HA ILE 42 HA ILE 42 7.181 -3.287 8.203 357 HB ILE 42 HB ILE 42 5.385 -1.620 6.378 358 HG12 ILE 42 2HG1 ILE 42 7.248 -0.311 7.312 359 HG13 ILE 42 3HG1 ILE 42 5.740 0.195 8.056 360 HG21 ILE 42 1HG2 ILE 42 4.800 -2.572 9.207 361 HG22 ILE 42 2HG2 ILE 42 3.962 -3.072 7.736 362 HG23 ILE 42 3HG2 ILE 42 3.828 -1.407 8.299 363 HD11 ILE 42 3HD1 ILE 42 7.823 -1.603 9.311 364 HD12 ILE 42 1HD1 ILE 42 6.307 -1.098 10.065 365 HD13 ILE 42 2HD1 ILE 42 7.542 0.099 9.676 366 H THR 43 H THR 43 5.658 -3.529 4.943 367 HA THR 43 HA THR 43 4.100 -5.849 5.681 368 HB THR 43 HB THR 43 3.154 -5.809 3.437 369 HG1 THR 43 HG1 THR 43 4.465 -3.580 2.497 370 HG21 THR 43 3HG2 THR 43 2.196 -3.534 3.383 371 HG22 THR 43 1HG2 THR 43 3.435 -2.977 4.513 372 HG23 THR 43 2HG2 THR 43 2.235 -4.166 5.030 373 H GLY 44 H GLY 44 7.074 -5.272 3.863 374 HA2 GLY 44 2HA GLY 44 8.698 -6.785 3.169 375 HA3 GLY 44 3HA GLY 44 7.681 -8.115 3.699 376 H LEU 45 H LEU 45 6.009 -5.942 1.691 377 HA LEU 45 HA LEU 45 6.130 -7.692 -0.657 378 HB2 LEU 45 2HB LEU 45 4.509 -5.174 -0.090 379 HB3 LEU 45 3HB LEU 45 4.342 -6.164 -1.535 380 HG LEU 45 HG LEU 45 3.774 -7.171 1.289 381 HD11 LEU 45 1HD1 LEU 45 1.384 -6.985 0.736 382 HD12 LEU 45 2HD1 LEU 45 1.788 -6.221 -0.804 383 HD13 LEU 45 3HD1 LEU 45 2.173 -5.409 0.715 384 HD21 LEU 45 3HD2 LEU 45 4.384 -8.969 -0.268 385 HD22 LEU 45 1HD2 LEU 45 3.167 -8.415 -1.422 386 HD23 LEU 45 2HD2 LEU 45 2.675 -9.067 0.145 387 H THR 46 H THR 46 6.437 -6.689 -2.840 388 HA THR 46 HA THR 46 8.745 -4.941 -2.969 389 HB THR 46 HB THR 46 8.616 -5.205 -5.413 390 HG1 THR 46 HG1 THR 46 6.865 -6.409 -6.325 391 HG21 THR 46 3HG2 THR 46 8.069 -7.855 -4.020 392 HG22 THR 46 1HG2 THR 46 9.648 -7.082 -4.192 393 HG23 THR 46 2HG2 THR 46 8.789 -7.665 -5.619 394 H LYS 47 H LYS 47 8.796 -2.946 -4.251 395 HA LYS 47 HA LYS 47 6.862 -0.998 -3.777 396 HB2 LYS 47 2HB LYS 47 9.142 -0.415 -4.426 397 HB3 LYS 47 3HB LYS 47 8.946 -1.188 -5.995 398 HG2 LYS 47 2HG LYS 47 7.261 0.534 -6.617 399 HG3 LYS 47 3HG LYS 47 7.503 1.318 -5.053 400 HD2 LYS 47 2HD LYS 47 9.685 0.930 -7.150 401 HD3 LYS 47 3HD LYS 47 8.735 2.408 -6.961 402 HE2 LYS 47 2HE LYS 47 10.567 1.208 -4.848 403 HE3 LYS 47 3HE LYS 47 10.942 2.598 -5.870 404 HZ1 LYS 47 3HZ LYS 47 10.211 3.450 -3.819 405 HZ2 LYS 47 1HZ LYS 47 8.871 2.414 -3.754 406 HZ3 LYS 47 2HZ LYS 47 8.914 3.665 -4.888 407 H GLY 48 H GLY 48 7.236 -3.151 -6.577 408 HA2 GLY 48 2HA GLY 48 5.271 -2.053 -8.281 409 HA3 GLY 48 3HA GLY 48 5.906 -3.687 -8.361 410 H GLU 49 H GLU 49 5.021 -4.599 -5.782 411 HA GLU 49 HA GLU 49 2.280 -5.236 -6.358 412 HB2 GLU 49 2HB GLU 49 3.968 -5.817 -3.890 413 HB3 GLU 49 3HB GLU 49 2.317 -6.396 -4.103 414 HG2 GLU 49 2HG GLU 49 4.747 -7.130 -5.757 415 HG3 GLU 49 3HG GLU 49 3.850 -8.172 -4.656 416 H ILE 50 H ILE 50 3.841 -3.123 -3.941 417 HA ILE 50 HA ILE 50 1.487 -2.412 -2.521 418 HB ILE 50 HB ILE 50 4.193 -1.021 -2.732 419 HG12 ILE 50 2HG1 ILE 50 2.984 -2.767 -0.527 420 HG13 ILE 50 3HG1 ILE 50 4.192 -3.293 -1.694 421 HG21 ILE 50 1HG2 ILE 50 3.601 0.296 -0.718 422 HG22 ILE 50 2HG2 ILE 50 1.956 -0.343 -0.778 423 HG23 ILE 50 3HG2 ILE 50 2.551 0.690 -2.079 424 HD11 ILE 50 3HD1 ILE 50 4.569 -1.230 0.475 425 HD12 ILE 50 1HD1 ILE 50 5.786 -1.673 -0.727 426 HD13 ILE 50 2HD1 ILE 50 5.216 -2.869 0.435 427 H LYS 51 H LYS 51 3.255 -0.558 -5.077 428 HA LYS 51 HA LYS 51 1.474 1.633 -5.176 429 HB2 LYS 51 2HB LYS 51 3.198 0.601 -7.461 430 HB3 LYS 51 3HB LYS 51 2.437 2.191 -7.376 431 HG2 LYS 51 2HG LYS 51 3.832 2.465 -5.183 432 HG3 LYS 51 3HG LYS 51 4.776 1.114 -5.805 433 HD2 LYS 51 2HD LYS 51 5.888 3.143 -6.468 434 HD3 LYS 51 3HD LYS 51 5.162 2.446 -7.920 435 HE2 LYS 51 2HE LYS 51 3.307 4.049 -7.795 436 HE3 LYS 51 3HE LYS 51 3.927 4.692 -6.273 437 HZ1 LYS 51 3HZ LYS 51 5.247 4.859 -8.925 438 HZ2 LYS 51 1HZ LYS 51 5.931 5.397 -7.470 439 HZ3 LYS 51 2HZ LYS 51 4.527 6.129 -8.066 440 H LYS 52 H LYS 52 1.527 -1.371 -7.080 441 HA LYS 52 HA LYS 52 -0.653 -0.752 -8.796 442 HB2 LYS 52 2HB LYS 52 1.076 -2.515 -9.226 443 HB3 LYS 52 3HB LYS 52 0.357 -3.499 -7.958 444 HG2 LYS 52 2HG LYS 52 -1.732 -3.652 -9.258 445 HG3 LYS 52 3HG LYS 52 -1.032 -2.627 -10.510 446 HD2 LYS 52 2HD LYS 52 -0.916 -4.929 -11.245 447 HD3 LYS 52 3HD LYS 52 0.719 -4.362 -10.925 448 HE2 LYS 52 2HE LYS 52 -0.839 -5.946 -8.863 449 HE3 LYS 52 3HE LYS 52 0.081 -6.740 -10.136 450 HZ1 LYS 52 3HZ LYS 52 1.366 -6.600 -8.126 451 HZ2 LYS 52 1HZ LYS 52 1.188 -4.918 -8.063 452 HZ3 LYS 52 2HZ LYS 52 2.078 -5.628 -9.310 453 H TRP 53 H TRP 53 -0.471 -2.214 -5.571 454 HA TRP 53 HA TRP 53 -3.170 -3.004 -5.241 455 HB2 TRP 53 2HB TRP 53 -1.331 -3.632 -3.661 456 HB3 TRP 53 3HB TRP 53 -1.219 -1.964 -3.123 457 HD1 TRP 53 HD1 TRP 53 -3.236 -5.143 -2.599 458 HE1 TRP 53 HE1 TRP 53 -4.930 -4.787 -0.711 459 HE3 TRP 53 HE3 TRP 53 -2.714 -0.089 -1.942 460 HZ2 TRP 53 HZ2 TRP 53 -5.912 -2.671 0.857 461 HZ3 TRP 53 HZ3 TRP 53 -4.074 1.025 -0.225 462 HH2 TRP 53 HH2 TRP 53 -5.643 -0.245 1.147 463 H PHE 54 H PHE 54 -1.516 0.078 -4.415 464 HA PHE 54 HA PHE 54 -3.810 1.486 -3.518 465 HB2 PHE 54 2HB PHE 54 -1.051 2.379 -4.398 466 HB3 PHE 54 3HB PHE 54 -2.290 3.579 -4.063 467 HD1 PHE 54 HD2 PHE 54 -3.120 3.935 -1.780 468 HD2 PHE 54 HD1 PHE 54 -0.042 1.080 -2.549 469 HE1 PHE 54 HE2 PHE 54 -2.592 3.842 0.618 470 HE2 PHE 54 HE1 PHE 54 0.474 0.989 -0.149 471 HZ PHE 54 HZ PHE 54 -0.805 2.368 1.439 472 H SER 55 H SER 55 -2.400 1.111 -6.740 473 HA SER 55 HA SER 55 -3.968 3.073 -8.096 474 HB2 SER 55 2HB SER 55 -2.596 0.579 -9.188 475 HB3 SER 55 3HB SER 55 -3.258 1.884 -10.179 476 HG SER 55 HG SER 55 -0.863 1.742 -9.081 477 H ASP 56 H ASP 56 -4.409 -0.416 -7.498 478 HA ASP 56 HA ASP 56 -6.861 -0.737 -8.900 479 HB2 ASP 56 2HB ASP 56 -5.513 -2.688 -8.258 480 HB3 ASP 56 3HB ASP 56 -5.711 -2.305 -6.549 481 H THR 57 H THR 57 -6.155 -0.032 -5.476 482 HA THR 57 HA THR 57 -8.811 -0.038 -4.522 483 HB THR 57 HB THR 57 -6.476 1.497 -3.288 484 HG1 THR 57 HG1 THR 57 -5.617 -0.424 -3.031 485 HG21 THR 57 3HG2 THR 57 -8.929 0.231 -2.004 486 HG22 THR 57 1HG2 THR 57 -8.668 1.964 -2.223 487 HG23 THR 57 2HG2 THR 57 -7.619 1.041 -1.145 488 H ARG 58 H ARG 58 -6.816 2.560 -5.897 489 HA ARG 58 HA ARG 58 -8.754 4.670 -5.634 490 HB2 ARG 58 2HB ARG 58 -6.285 4.347 -7.378 491 HB3 ARG 58 3HB ARG 58 -7.302 5.785 -7.453 492 HG2 ARG 58 2HG ARG 58 -6.827 6.287 -5.103 493 HG3 ARG 58 3HG ARG 58 -5.879 4.804 -4.949 494 HD2 ARG 58 2HD ARG 58 -5.204 7.110 -6.816 495 HD3 ARG 58 3HD ARG 58 -4.483 6.862 -5.224 496 HE ARG 58 HE ARG 58 -3.925 4.531 -6.422 497 HH11 ARG 58 1HH1 ARG 58 -3.523 7.733 -7.661 498 HH12 ARG 58 2HH1 ARG 58 -2.107 7.318 -8.556 499 HH21 ARG 58 1HH2 ARG 58 -2.090 4.040 -7.594 500 HH22 ARG 58 2HH2 ARG 58 -1.309 5.278 -8.511 501 H TYR 59 H TYR 59 -8.041 2.292 -8.201 502 HA TYR 59 HA TYR 59 -9.845 3.176 -10.189 503 HB2 TYR 59 2HB TYR 59 -8.490 1.523 -11.085 504 HB3 TYR 59 3HB TYR 59 -8.408 0.614 -9.586 505 HD1 TYR 59 HD2 TYR 59 -10.657 1.301 -12.521 506 HD2 TYR 59 HD1 TYR 59 -9.715 -1.370 -9.311 507 HE1 TYR 59 HE2 TYR 59 -12.274 -0.332 -13.397 508 HE2 TYR 59 HE1 TYR 59 -11.334 -2.999 -10.190 509 HH TYR 59 HH TYR 59 -13.380 -2.978 -11.596 510 H ASN 60 H ASN 60 -10.374 0.970 -7.430 511 HA ASN 60 HA ASN 60 -13.017 0.222 -7.972 512 HB2 ASN 60 2HB ASN 60 -11.466 0.313 -5.362 513 HB3 ASN 60 3HB ASN 60 -13.147 -0.211 -5.412 514 HD21 ASN 60 1HD2 ASN 60 -9.883 -1.103 -6.092 515 HD22 ASN 60 2HD2 ASN 60 -10.206 -2.711 -6.617 516 H GLN 61 H GLN 61 -11.756 3.129 -6.411 517 HA GLN 61 HA GLN 61 -14.110 4.157 -5.261 518 HB2 GLN 61 2HB GLN 61 -11.753 5.683 -6.442 519 HB3 GLN 61 3HB GLN 61 -12.989 6.395 -5.407 520 HG2 GLN 61 2HG GLN 61 -11.197 4.116 -4.532 521 HG3 GLN 61 3HG GLN 61 -10.792 5.814 -4.293 522 HE21 GLN 61 1HE2 GLN 61 -10.747 5.515 -2.039 523 HE22 GLN 61 2HE2 GLN 61 -12.193 5.342 -1.107 524 H ARG 62 H ARG 62 -12.909 4.409 -8.599 525 HA ARG 62 HA ARG 62 -14.798 6.234 -9.661 526 HB2 ARG 62 2HB ARG 62 -13.384 3.913 -11.046 527 HB3 ARG 62 3HB ARG 62 -14.245 5.203 -11.885 528 HG2 ARG 62 2HG ARG 62 -12.625 6.847 -11.045 529 HG3 ARG 62 3HG ARG 62 -11.782 5.578 -10.150 530 HD2 ARG 62 2HD ARG 62 -11.181 4.456 -12.241 531 HD3 ARG 62 3HD ARG 62 -12.113 5.629 -13.175 532 HE ARG 62 HE ARG 62 -10.401 7.268 -12.023 533 HH11 ARG 62 1HH1 ARG 62 -9.662 4.159 -13.369 534 HH12 ARG 62 2HH1 ARG 62 -8.085 4.648 -13.876 535 HH21 ARG 62 1HH2 ARG 62 -8.392 7.850 -12.691 536 HH22 ARG 62 2HH2 ARG 62 -7.374 6.701 -13.487 537 H ASN 63 H ASN 63 -14.817 2.664 -9.565 538 HA ASN 63 HA ASN 63 -17.559 2.596 -10.641 539 HB2 ASN 63 2HB ASN 63 -15.450 0.409 -10.468 540 HB3 ASN 63 3HB ASN 63 -17.058 0.193 -11.153 541 HD21 ASN 63 1HD2 ASN 63 -14.527 -0.183 -12.482 542 HD22 ASN 63 2HD2 ASN 63 -14.495 0.916 -13.810 543 H SER 64 H SER 64 -16.698 2.996 -7.661 544 HA SER 64 HA SER 64 -17.658 0.661 -6.263 545 HB2 SER 64 2HB SER 64 -16.014 2.185 -5.200 546 HB3 SER 64 3HB SER 64 -17.211 3.478 -5.180 547 HG SER 64 HG SER 64 -16.814 1.602 -3.363 548 H LYS 65 H LYS 65 -19.697 0.374 -7.332 549 HA LYS 65 HA LYS 65 -21.906 2.040 -6.254 550 HB2 LYS 65 2HB LYS 65 -21.809 0.249 -8.718 551 HB3 LYS 65 3HB LYS 65 -23.317 0.840 -8.044 552 HG2 LYS 65 2HG LYS 65 -22.797 2.246 -9.886 553 HG3 LYS 65 3HG LYS 65 -22.496 3.193 -8.428 554 HD2 LYS 65 2HD LYS 65 -20.078 2.823 -8.661 555 HD3 LYS 65 3HD LYS 65 -20.349 1.783 -10.061 556 HE2 LYS 65 2HE LYS 65 -21.035 4.739 -9.919 557 HE3 LYS 65 3HE LYS 65 -19.602 4.064 -10.693 558 HZ1 LYS 65 3HZ LYS 65 -22.408 3.500 -11.490 559 HZ2 LYS 65 1HZ LYS 65 -21.021 2.892 -12.239 560 HZ3 LYS 65 2HZ LYS 65 -21.352 4.548 -12.287 561 H SER 66 H SER 66 -24.005 0.560 -6.052 562 HA SER 66 HA SER 66 -23.675 -1.182 -3.876 563 HB2 SER 66 2HB SER 66 -25.811 -0.052 -4.312 564 HB3 SER 66 3HB SER 66 -26.021 -0.955 -5.812 565 HG SER 66 HG SER 66 -26.371 -2.808 -4.653 566 H ASN 67 H ASN 67 -24.735 -2.077 -7.179 567 HA ASN 67 HA ASN 67 -24.809 -4.017 -8.350 568 HB2 ASN 67 2HB ASN 67 -22.110 -4.400 -6.973 569 HB3 ASN 67 3HB ASN 67 -22.671 -5.357 -8.343 570 HD21 ASN 67 1HD2 ASN 67 -20.872 -4.632 -9.560 571 HD22 ASN 67 2HD2 ASN 67 -20.820 -3.047 -10.236 572 H GLN 68 H GLN 68 -23.833 -6.708 -7.607 573 HA GLN 68 HA GLN 68 -25.695 -7.411 -5.445 574 HB2 GLN 68 2HB GLN 68 -23.959 -9.191 -7.206 575 HB3 GLN 68 3HB GLN 68 -25.124 -9.769 -6.012 576 HG2 GLN 68 2HG GLN 68 -26.911 -8.537 -7.310 577 HG3 GLN 68 3HG GLN 68 -25.707 -8.238 -8.564 578 HE21 GLN 68 1HE2 GLN 68 -28.196 -9.707 -8.748 579 HE22 GLN 68 2HE2 GLN 68 -27.795 -11.306 -9.257 580 H CYS 69 H CYS 69 -22.195 -7.546 -6.102 581 HA CYS 69 HA CYS 69 -21.649 -7.451 -3.206 582 HB2 CYS 69 2HB CYS 69 -20.394 -9.486 -5.097 583 HB3 CYS 69 3HB CYS 69 -19.798 -9.150 -3.473 584 HG CYS 69 HG CYS 69 -22.981 -9.800 -3.212 585 H LEU 70 H LEU 70 -21.049 -5.259 -3.498 586 HA LEU 70 HA LEU 70 -18.294 -4.898 -4.333 587 HB2 LEU 70 2HB LEU 70 -19.649 -4.549 -6.427 588 HB3 LEU 70 3HB LEU 70 -20.444 -3.194 -5.643 589 HG LEU 70 HG LEU 70 -18.317 -1.950 -5.555 590 HD11 LEU 70 1HD1 LEU 70 -16.269 -2.813 -6.641 591 HD12 LEU 70 2HD1 LEU 70 -17.055 -4.376 -6.877 592 HD13 LEU 70 3HD1 LEU 70 -16.733 -3.784 -5.246 593 HD21 LEU 70 3HD2 LEU 70 -17.988 -1.591 -7.968 594 HD22 LEU 70 1HD2 LEU 70 -19.700 -1.713 -7.563 595 HD23 LEU 70 2HD2 LEU 70 -18.873 -3.079 -8.320 596 H HIS 71 H HIS 71 -21.053 -2.593 -3.689 597 HA HIS 71 HA HIS 71 -19.527 -1.236 -1.615 598 HB2 HIS 71 2HB HIS 71 -21.139 0.046 -2.986 599 HB3 HIS 71 3HB HIS 71 -22.466 -0.946 -2.396 600 HD1 HIS 71 HD1 HIS 71 -19.892 1.517 -1.035 601 HD2 HIS 71 HD2 HIS 71 -23.711 0.109 -0.176 602 HE1 HIS 71 HE1 HIS 71 -20.687 2.874 0.919 603 HE2 HIS 71 HE2 HIS 71 -23.058 2.138 1.293 604 H LEU 72 H LEU 72 -19.047 -2.758 -0.031 605 HA LEU 72 HA LEU 72 -21.139 -4.425 1.153 606 HB2 LEU 72 2HB LEU 72 -18.657 -5.089 0.598 607 HB3 LEU 72 3HB LEU 72 -18.259 -4.295 2.109 608 HG LEU 72 HG LEU 72 -20.238 -6.615 1.924 609 HD11 LEU 72 1HD1 LEU 72 -18.069 -7.402 1.116 610 HD12 LEU 72 2HD1 LEU 72 -18.432 -8.101 2.690 611 HD13 LEU 72 3HD1 LEU 72 -17.272 -6.775 2.562 612 HD21 LEU 72 3HD2 LEU 72 -20.468 -5.263 3.977 613 HD22 LEU 72 1HD2 LEU 72 -18.751 -5.487 4.330 614 HD23 LEU 72 2HD2 LEU 72 -19.848 -6.871 4.338 615 H ASN 73 H ASN 73 -22.497 -3.013 2.213 616 HA ASN 73 HA ASN 73 -21.488 -1.272 4.359 617 HB2 ASN 73 2HB ASN 73 -23.803 -0.413 4.490 618 HB3 ASN 73 3HB ASN 73 -23.182 -0.310 2.849 619 HD21 ASN 73 1HD2 ASN 73 -25.963 -0.456 3.958 620 HD22 ASN 73 2HD2 ASN 73 -26.713 -1.754 3.101 621 H ASN 74 H ASN 74 -22.410 -1.398 6.533 622 HA ASN 74 HA ASN 74 -23.831 -3.703 7.482 623 HB2 ASN 74 2HB ASN 74 -21.591 -4.745 7.021 624 HB3 ASN 74 3HB ASN 74 -20.840 -3.600 8.129 625 HD21 ASN 74 1HD2 ASN 74 -20.080 -5.224 9.505 626 HD22 ASN 74 2HD2 ASN 74 -21.121 -6.178 10.494 Start of MODEL 6 1 H1 SER 1 1H SER 1 -24.416 -20.345 -9.686 2 H2 SER 1 2H SER 1 -23.908 -21.700 -8.809 3 H3 SER 1 3H SER 1 -24.136 -21.813 -10.478 4 HA SER 1 HA SER 1 -21.790 -21.706 -9.836 5 HB2 SER 1 2HB SER 1 -22.826 -19.355 -11.477 6 HB3 SER 1 3HB SER 1 -21.181 -19.996 -11.532 7 HG SER 1 HG SER 1 -21.927 -21.294 -12.992 8 H HIS 2 H HIS 2 -19.981 -20.213 -9.232 9 HA HIS 2 HA HIS 2 -20.580 -17.685 -7.958 10 HB2 HIS 2 2HB HIS 2 -19.757 -18.230 -5.705 11 HB3 HIS 2 3HB HIS 2 -21.139 -19.229 -6.109 12 HD1 HIS 2 HD1 HIS 2 -17.933 -19.464 -4.606 13 HD2 HIS 2 HD2 HIS 2 -20.162 -21.968 -7.057 14 HE1 HIS 2 HE1 HIS 2 -16.984 -21.752 -4.259 15 HE2 HIS 2 HE2 HIS 2 -18.206 -23.206 -5.895 16 H MET 3 H MET 3 -18.678 -19.138 -10.017 17 HA MET 3 HA MET 3 -16.524 -17.233 -9.622 18 HB2 MET 3 2HB MET 3 -14.690 -18.953 -9.890 19 HB3 MET 3 3HB MET 3 -15.536 -19.013 -8.354 20 HG2 MET 3 2HG MET 3 -16.783 -20.978 -9.074 21 HG3 MET 3 3HG MET 3 -16.036 -20.893 -10.670 22 HE1 MET 3 3HE MET 3 -14.266 -20.260 -7.158 23 HE2 MET 3 1HE MET 3 -13.656 -21.878 -6.815 24 HE3 MET 3 2HE MET 3 -15.393 -21.575 -6.819 25 HA PRO 4 HA PRO 4 -17.318 -17.714 -14.163 26 HB2 PRO 4 2HB PRO 4 -18.058 -15.214 -14.743 27 HB3 PRO 4 3HB PRO 4 -19.165 -16.267 -13.843 28 HG2 PRO 4 2HG PRO 4 -17.330 -14.100 -12.789 29 HG3 PRO 4 3HG PRO 4 -19.030 -14.412 -12.380 30 HD2 PRO 4 2HD PRO 4 -16.851 -15.311 -10.870 31 HD3 PRO 4 3HD PRO 4 -18.474 -16.034 -10.823 32 H ASP 5 H ASP 5 -16.445 -15.986 -15.998 33 HA ASP 5 HA ASP 5 -13.606 -15.635 -15.736 34 HB2 ASP 5 2HB ASP 5 -15.506 -14.425 -17.805 35 HB3 ASP 5 3HB ASP 5 -13.749 -14.507 -17.943 36 H SER 6 H SER 6 -13.331 -14.356 -13.849 37 HA SER 6 HA SER 6 -14.141 -11.494 -14.042 38 HB2 SER 6 2HB SER 6 -15.290 -12.569 -12.168 39 HB3 SER 6 3HB SER 6 -13.764 -13.197 -11.537 40 HG SER 6 HG SER 6 -14.907 -10.857 -11.030 41 H PHE 7 H PHE 7 -11.804 -13.131 -11.905 42 HA PHE 7 HA PHE 7 -9.671 -12.735 -11.318 43 HB2 PHE 7 2HB PHE 7 -9.445 -12.424 -14.339 44 HB3 PHE 7 3HB PHE 7 -8.040 -12.478 -13.277 45 HD1 PHE 7 HD1 PHE 7 -11.034 -14.461 -14.352 46 HD2 PHE 7 HD2 PHE 7 -7.161 -14.572 -12.526 47 HE1 PHE 7 HE1 PHE 7 -11.080 -16.921 -14.394 48 HE2 PHE 7 HE2 PHE 7 -7.216 -17.031 -12.581 49 HZ PHE 7 HZ PHE 7 -9.171 -18.205 -13.511 50 H GLY 8 H GLY 8 -11.472 -10.376 -11.299 51 HA2 GLY 8 2HA GLY 8 -10.063 -7.982 -11.867 52 HA3 GLY 8 3HA GLY 8 -11.355 -8.159 -10.692 53 H ILE 9 H ILE 9 -10.064 -10.096 -9.027 54 HA ILE 9 HA ILE 9 -7.864 -8.545 -7.795 55 HB ILE 9 HB ILE 9 -9.490 -10.825 -6.554 56 HG12 ILE 9 2HG1 ILE 9 -10.300 -8.910 -4.966 57 HG13 ILE 9 3HG1 ILE 9 -9.731 -7.800 -6.204 58 HG21 ILE 9 1HG2 ILE 9 -8.358 -10.230 -4.421 59 HG22 ILE 9 2HG2 ILE 9 -7.366 -9.047 -5.277 60 HG23 ILE 9 3HG2 ILE 9 -7.208 -10.767 -5.648 61 HD11 ILE 9 3HD1 ILE 9 -12.122 -8.151 -6.341 62 HD12 ILE 9 1HD1 ILE 9 -11.890 -9.889 -6.530 63 HD13 ILE 9 2HD1 ILE 9 -11.334 -8.780 -7.787 64 H ARG 10 H ARG 10 -6.016 -9.195 -8.831 65 HA ARG 10 HA ARG 10 -5.339 -12.085 -8.947 66 HB2 ARG 10 2HB ARG 10 -3.952 -9.717 -10.289 67 HB3 ARG 10 3HB ARG 10 -3.487 -11.412 -10.458 68 HG2 ARG 10 2HG ARG 10 -5.661 -11.901 -11.543 69 HG3 ARG 10 3HG ARG 10 -6.124 -10.203 -11.377 70 HD2 ARG 10 2HD ARG 10 -4.171 -9.573 -12.804 71 HD3 ARG 10 3HD ARG 10 -3.800 -11.289 -13.020 72 HE ARG 10 HE ARG 10 -6.049 -9.796 -14.169 73 HH11 ARG 10 1HH1 ARG 10 -4.524 -12.893 -13.815 74 HH12 ARG 10 2HH1 ARG 10 -5.308 -13.538 -15.213 75 HH21 ARG 10 1HH2 ARG 10 -7.024 -10.662 -15.945 76 HH22 ARG 10 2HH2 ARG 10 -6.696 -12.300 -16.395 77 H ALA 11 H ALA 11 -5.002 -9.491 -6.916 78 HA ALA 11 HA ALA 11 -2.300 -9.779 -5.991 79 HB1 ALA 11 3HB ALA 11 -3.011 -8.308 -4.146 80 HB2 ALA 11 1HB ALA 11 -4.701 -8.496 -4.628 81 HB3 ALA 11 2HB ALA 11 -3.562 -7.680 -5.700 82 H LYS 12 H LYS 12 -1.688 -11.703 -5.170 83 HA LYS 12 HA LYS 12 -3.346 -13.356 -3.433 84 HB2 LYS 12 2HB LYS 12 -1.785 -14.259 -5.228 85 HB3 LYS 12 3HB LYS 12 -0.426 -13.709 -4.255 86 HG2 LYS 12 2HG LYS 12 -1.055 -15.279 -2.462 87 HG3 LYS 12 3HG LYS 12 -2.467 -15.793 -3.388 88 HD2 LYS 12 2HD LYS 12 -0.647 -17.438 -3.594 89 HD3 LYS 12 3HD LYS 12 -0.988 -16.699 -5.159 90 HE2 LYS 12 2HE LYS 12 1.436 -16.919 -4.801 91 HE3 LYS 12 3HE LYS 12 0.980 -15.219 -4.887 92 HZ1 LYS 12 3HZ LYS 12 1.053 -15.121 -2.477 93 HZ2 LYS 12 1HZ LYS 12 2.539 -15.633 -3.099 94 HZ3 LYS 12 2HZ LYS 12 1.484 -16.751 -2.398 95 H LYS 13 H LYS 13 -2.004 -10.567 -2.801 96 HA LYS 13 HA LYS 13 -0.218 -10.785 -0.642 97 HB2 LYS 13 2HB LYS 13 -2.227 -8.520 -1.062 98 HB3 LYS 13 3HB LYS 13 -0.657 -8.431 -0.259 99 HG2 LYS 13 2HG LYS 13 0.449 -8.872 -2.449 100 HG3 LYS 13 3HG LYS 13 -1.137 -8.891 -3.228 101 HD2 LYS 13 2HD LYS 13 -1.460 -6.505 -2.449 102 HD3 LYS 13 3HD LYS 13 0.199 -6.530 -1.844 103 HE2 LYS 13 2HE LYS 13 -0.725 -6.747 -4.726 104 HE3 LYS 13 3HE LYS 13 0.255 -5.474 -4.002 105 HZ1 LYS 13 3HZ LYS 13 2.042 -7.095 -3.696 106 HZ2 LYS 13 1HZ LYS 13 1.598 -6.974 -5.323 107 HZ3 LYS 13 2HZ LYS 13 1.095 -8.300 -4.407 108 H THR 14 H THR 14 -0.536 -11.038 1.562 109 HA THR 14 HA THR 14 -2.979 -12.185 2.513 110 HB THR 14 HB THR 14 -1.936 -12.328 4.713 111 HG1 THR 14 HG1 THR 14 0.085 -11.293 5.117 112 HG21 THR 14 3HG2 THR 14 0.178 -13.493 4.199 113 HG22 THR 14 1HG2 THR 14 0.174 -12.800 2.571 114 HG23 THR 14 2HG2 THR 14 -1.083 -13.944 3.050 115 H LYS 15 H LYS 15 -4.408 -11.343 4.187 116 HA LYS 15 HA LYS 15 -5.263 -8.670 3.880 117 HB2 LYS 15 2HB LYS 15 -5.788 -10.537 6.229 118 HB3 LYS 15 3HB LYS 15 -6.731 -9.100 5.830 119 HG2 LYS 15 2HG LYS 15 -7.493 -10.141 3.743 120 HG3 LYS 15 3HG LYS 15 -6.474 -11.553 4.050 121 HD2 LYS 15 2HD LYS 15 -7.796 -12.028 6.109 122 HD3 LYS 15 3HD LYS 15 -8.833 -10.644 5.748 123 HE2 LYS 15 2HE LYS 15 -9.541 -11.749 3.638 124 HE3 LYS 15 3HE LYS 15 -8.514 -13.134 4.023 125 HZ1 LYS 15 3HZ LYS 15 -10.810 -13.527 4.622 126 HZ2 LYS 15 1HZ LYS 15 -10.812 -12.174 5.635 127 HZ3 LYS 15 2HZ LYS 15 -9.839 -13.505 6.004 128 H GLU 16 H GLU 16 -2.910 -10.069 6.037 129 HA GLU 16 HA GLU 16 -2.482 -8.076 7.968 130 HB2 GLU 16 2HB GLU 16 -0.358 -9.779 6.589 131 HB3 GLU 16 3HB GLU 16 -0.231 -9.045 8.189 132 HG2 GLU 16 2HG GLU 16 -1.894 -10.551 9.081 133 HG3 GLU 16 3HG GLU 16 -2.269 -11.177 7.474 134 H GLN 17 H GLN 17 -0.952 -8.538 4.795 135 HA GLN 17 HA GLN 17 0.636 -6.165 4.750 136 HB2 GLN 17 2HB GLN 17 -0.328 -7.937 2.453 137 HB3 GLN 17 3HB GLN 17 0.970 -6.748 2.349 138 HG2 GLN 17 2HG GLN 17 2.344 -8.044 3.881 139 HG3 GLN 17 3HG GLN 17 1.032 -9.192 4.149 140 HE21 GLN 17 1HE2 GLN 17 3.761 -9.639 3.102 141 HE22 GLN 17 2HE2 GLN 17 3.549 -10.401 1.569 142 H LEU 18 H LEU 18 -2.414 -7.075 3.250 143 HA LEU 18 HA LEU 18 -2.869 -4.887 1.576 144 HB2 LEU 18 2HB LEU 18 -3.880 -7.286 1.672 145 HB3 LEU 18 3HB LEU 18 -5.038 -6.629 2.806 146 HG LEU 18 HG LEU 18 -4.727 -5.504 -0.010 147 HD11 LEU 18 1HD1 LEU 18 -6.609 -7.742 0.825 148 HD12 LEU 18 2HD1 LEU 18 -5.203 -7.903 -0.232 149 HD13 LEU 18 3HD1 LEU 18 -6.579 -6.934 -0.748 150 HD21 LEU 18 3HD2 LEU 18 -7.036 -4.711 0.303 151 HD22 LEU 18 1HD2 LEU 18 -5.968 -4.069 1.550 152 HD23 LEU 18 2HD2 LEU 18 -7.066 -5.398 1.930 153 H ALA 19 H ALA 19 -3.859 -5.442 4.946 154 HA ALA 19 HA ALA 19 -5.565 -3.168 5.230 155 HB1 ALA 19 3HB ALA 19 -5.493 -3.655 7.637 156 HB2 ALA 19 1HB ALA 19 -4.148 -4.773 7.379 157 HB3 ALA 19 2HB ALA 19 -5.736 -5.130 6.698 158 H GLU 20 H GLU 20 -2.090 -3.673 5.935 159 HA GLU 20 HA GLU 20 -1.593 -1.129 7.126 160 HB2 GLU 20 2HB GLU 20 0.294 -3.075 5.740 161 HB3 GLU 20 3HB GLU 20 0.839 -1.611 6.558 162 HG2 GLU 20 2HG GLU 20 -0.609 -3.944 7.857 163 HG3 GLU 20 3HG GLU 20 1.116 -3.593 7.977 164 H LEU 21 H LEU 21 -1.562 -2.251 3.793 165 HA LEU 21 HA LEU 21 -0.534 0.085 2.551 166 HB2 LEU 21 2HB LEU 21 -2.486 -1.952 1.419 167 HB3 LEU 21 3HB LEU 21 -1.525 -0.816 0.484 168 HG LEU 21 HG LEU 21 -0.464 -3.170 2.088 169 HD11 LEU 21 1HD1 LEU 21 0.150 -4.111 -0.088 170 HD12 LEU 21 2HD1 LEU 21 -0.603 -2.745 -0.908 171 HD13 LEU 21 3HD1 LEU 21 -1.589 -3.861 0.043 172 HD21 LEU 21 3HD2 LEU 21 1.143 -1.333 2.193 173 HD22 LEU 21 1HD2 LEU 21 1.094 -1.158 0.435 174 HD23 LEU 21 2HD2 LEU 21 1.752 -2.627 1.165 175 H LYS 22 H LYS 22 -3.836 -0.909 3.489 176 HA LYS 22 HA LYS 22 -5.291 1.235 2.370 177 HB2 LYS 22 2HB LYS 22 -5.894 -0.542 4.759 178 HB3 LYS 22 3HB LYS 22 -7.007 0.725 4.246 179 HG2 LYS 22 2HG LYS 22 -7.132 -0.368 1.995 180 HG3 LYS 22 3HG LYS 22 -6.131 -1.686 2.619 181 HD2 LYS 22 2HD LYS 22 -7.854 -2.265 4.261 182 HD3 LYS 22 3HD LYS 22 -8.832 -0.874 3.782 183 HE2 LYS 22 2HE LYS 22 -9.156 -1.859 1.547 184 HE3 LYS 22 3HE LYS 22 -8.139 -3.227 1.991 185 HZ1 LYS 22 3HZ LYS 22 -9.765 -3.765 3.732 186 HZ2 LYS 22 1HZ LYS 22 -10.418 -3.834 2.174 187 HZ3 LYS 22 2HZ LYS 22 -10.756 -2.513 3.173 188 H VAL 23 H VAL 23 -3.624 0.984 5.509 189 HA VAL 23 HA VAL 23 -4.471 3.393 6.700 190 HB VAL 23 HB VAL 23 -1.746 2.034 6.992 191 HG11 VAL 23 1HG1 VAL 23 -1.590 3.197 9.192 192 HG12 VAL 23 2HG1 VAL 23 -3.088 4.060 8.836 193 HG13 VAL 23 3HG1 VAL 23 -1.652 4.343 7.850 194 HG21 VAL 23 3HG2 VAL 23 -4.282 1.685 8.645 195 HG22 VAL 23 1HG2 VAL 23 -2.718 0.945 9.007 196 HG23 VAL 23 2HG2 VAL 23 -3.590 0.496 7.540 197 H SER 24 H SER 24 -1.741 2.754 4.503 198 HA SER 24 HA SER 24 -0.761 5.427 4.307 199 HB2 SER 24 2HB SER 24 0.617 3.487 3.655 200 HB3 SER 24 3HB SER 24 -0.490 3.126 2.330 201 HG SER 24 HG SER 24 0.930 4.326 1.296 202 H TYR 25 H TYR 25 -3.178 3.599 2.436 203 HA TYR 25 HA TYR 25 -3.587 5.439 0.329 204 HB2 TYR 25 2HB TYR 25 -4.331 3.113 0.142 205 HB3 TYR 25 3HB TYR 25 -5.465 3.325 1.473 206 HD1 TYR 25 HD1 TYR 25 -4.740 4.421 -2.044 207 HD2 TYR 25 HD2 TYR 25 -7.696 4.161 1.048 208 HE1 TYR 25 HE1 TYR 25 -6.484 5.146 -3.630 209 HE2 TYR 25 HE2 TYR 25 -9.420 4.879 -0.547 210 HH TYR 25 HH TYR 25 -8.914 5.011 -3.880 211 H LEU 26 H LEU 26 -5.131 5.154 3.525 212 HA LEU 26 HA LEU 26 -7.183 7.085 3.231 213 HB2 LEU 26 2HB LEU 26 -5.696 6.192 5.734 214 HB3 LEU 26 3HB LEU 26 -7.157 7.170 5.753 215 HG LEU 26 HG LEU 26 -6.957 4.310 4.723 216 HD11 LEU 26 1HD1 LEU 26 -8.257 5.361 7.252 217 HD12 LEU 26 2HD1 LEU 26 -6.777 4.399 7.151 218 HD13 LEU 26 3HD1 LEU 26 -8.317 3.694 6.666 219 HD21 LEU 26 3HD2 LEU 26 -9.411 4.382 4.507 220 HD22 LEU 26 1HD2 LEU 26 -8.629 5.550 3.444 221 HD23 LEU 26 2HD2 LEU 26 -9.406 6.095 4.933 222 H LYS 27 H LYS 27 -3.765 7.422 3.918 223 HA LYS 27 HA LYS 27 -3.834 10.267 4.485 224 HB2 LYS 27 2HB LYS 27 -1.448 8.573 3.612 225 HB3 LYS 27 3HB LYS 27 -1.395 10.133 4.438 226 HG2 LYS 27 2HG LYS 27 -2.297 9.116 6.473 227 HG3 LYS 27 3HG LYS 27 -2.489 7.565 5.642 228 HD2 LYS 27 2HD LYS 27 0.012 7.536 5.281 229 HD3 LYS 27 3HD LYS 27 0.127 8.986 6.286 230 HE2 LYS 27 2HE LYS 27 -0.865 7.720 8.181 231 HE3 LYS 27 3HE LYS 27 -0.926 6.272 7.170 232 HZ1 LYS 27 3HZ LYS 27 1.001 6.174 8.515 233 HZ2 LYS 27 1HZ LYS 27 1.485 7.734 8.080 234 HZ3 LYS 27 2HZ LYS 27 1.524 6.495 6.937 235 H ASN 28 H ASN 28 -2.949 8.178 1.747 236 HA ASN 28 HA ASN 28 -3.429 10.071 -0.320 237 HB2 ASN 28 2HB ASN 28 -0.898 10.117 -1.052 238 HB3 ASN 28 3HB ASN 28 -1.459 11.237 0.177 239 HD21 ASN 28 1HD2 ASN 28 -0.796 7.817 0.946 240 HD22 ASN 28 2HD2 ASN 28 0.608 8.146 1.882 241 H GLN 29 H GLN 29 -3.742 9.008 -2.248 242 HA GLN 29 HA GLN 29 -3.309 6.168 -2.514 243 HB2 GLN 29 2HB GLN 29 -5.209 7.259 -3.639 244 HB3 GLN 29 3HB GLN 29 -4.109 8.260 -4.586 245 HG2 GLN 29 2HG GLN 29 -3.235 6.222 -5.700 246 HG3 GLN 29 3HG GLN 29 -4.348 5.233 -4.758 247 HE21 GLN 29 1HE2 GLN 29 -5.261 4.448 -6.693 248 HE22 GLN 29 2HE2 GLN 29 -6.316 5.404 -7.660 249 H PHE 30 H PHE 30 -1.636 9.069 -3.490 250 HA PHE 30 HA PHE 30 0.640 7.520 -4.604 251 HB2 PHE 30 2HB PHE 30 0.025 10.448 -5.208 252 HB3 PHE 30 3HB PHE 30 1.137 9.380 -6.058 253 HD1 PHE 30 HD2 PHE 30 0.148 7.424 -7.421 254 HD2 PHE 30 HD1 PHE 30 -2.256 10.633 -5.910 255 HE1 PHE 30 HE2 PHE 30 -1.642 6.846 -9.016 256 HE2 PHE 30 HE1 PHE 30 -4.037 10.041 -7.506 257 HZ PHE 30 HZ PHE 30 -3.733 8.151 -9.055 258 HA PRO 31 HA PRO 31 2.145 9.440 -0.608 259 HB2 PRO 31 2HB PRO 31 3.875 7.016 -0.455 260 HB3 PRO 31 3HB PRO 31 2.699 7.630 0.714 261 HG2 PRO 31 2HG PRO 31 2.210 5.390 -0.712 262 HG3 PRO 31 3HG PRO 31 0.905 6.526 -0.296 263 HD2 PRO 31 2HD PRO 31 2.437 6.279 -2.904 264 HD3 PRO 31 3HD PRO 31 0.678 6.400 -2.641 265 H HIS 32 H HIS 32 4.514 9.699 0.180 266 HA HIS 32 HA HIS 32 5.978 11.167 -1.733 267 HB2 HIS 32 2HB HIS 32 6.949 10.082 0.956 268 HB3 HIS 32 3HB HIS 32 7.679 11.404 0.049 269 HD2 HIS 32 HD2 HIS 32 6.867 13.817 0.970 270 HE1 HIS 32 HE1 HIS 32 3.156 12.577 2.576 271 HE2 HIS 32 HE2 HIS 32 4.873 14.427 2.503 272 H ASP 33 H ASP 33 7.451 8.493 0.093 273 HA ASP 33 HA ASP 33 8.115 6.717 -1.957 274 HB2 ASP 33 2HB ASP 33 9.562 8.724 -2.703 275 HB3 ASP 33 3HB ASP 33 10.494 8.511 -1.226 276 H SER 34 H SER 34 9.555 8.333 0.869 277 HA SER 34 HA SER 34 10.792 6.186 2.163 278 HB2 SER 34 2HB SER 34 10.709 7.639 4.202 279 HB3 SER 34 3HB SER 34 11.212 8.538 2.768 280 HG SER 34 HG SER 34 9.519 9.494 4.191 281 H GLU 35 H GLU 35 7.465 7.419 2.565 282 HA GLU 35 HA GLU 35 6.546 5.747 4.617 283 HB2 GLU 35 2HB GLU 35 5.286 7.714 3.682 284 HB3 GLU 35 3HB GLU 35 4.920 6.773 2.245 285 HG2 GLU 35 2HG GLU 35 2.964 6.721 3.608 286 HG3 GLU 35 3HG GLU 35 3.693 5.125 3.727 287 H ILE 36 H ILE 36 6.711 5.179 1.126 288 HA ILE 36 HA ILE 36 5.356 2.659 1.093 289 HB ILE 36 HB ILE 36 7.305 3.727 -1.000 290 HG12 ILE 36 2HG1 ILE 36 4.285 4.203 -0.852 291 HG13 ILE 36 3HG1 ILE 36 5.503 5.405 -0.439 292 HG21 ILE 36 1HG2 ILE 36 6.004 2.331 -2.583 293 HG22 ILE 36 2HG2 ILE 36 5.002 1.748 -1.253 294 HG23 ILE 36 3HG2 ILE 36 6.721 1.350 -1.303 295 HD11 ILE 36 3HD1 ILE 36 4.589 5.800 -2.643 296 HD12 ILE 36 1HD1 ILE 36 5.070 4.186 -3.166 297 HD13 ILE 36 2HD1 ILE 36 6.299 5.386 -2.758 298 H ILE 37 H ILE 37 8.791 3.613 1.245 299 HA ILE 37 HA ILE 37 9.997 1.053 1.110 300 HB ILE 37 HB ILE 37 10.978 3.573 2.533 301 HG12 ILE 37 2HG1 ILE 37 11.680 2.498 -0.242 302 HG13 ILE 37 3HG1 ILE 37 10.590 3.843 0.071 303 HG21 ILE 37 1HG2 ILE 37 12.598 1.104 1.780 304 HG22 ILE 37 2HG2 ILE 37 12.185 1.611 3.418 305 HG23 ILE 37 3HG2 ILE 37 13.260 2.603 2.436 306 HD11 ILE 37 3HD1 ILE 37 12.469 5.110 1.038 307 HD12 ILE 37 1HD1 ILE 37 12.743 4.647 -0.641 308 HD13 ILE 37 2HD1 ILE 37 13.550 3.766 0.656 309 H ARG 38 H ARG 38 8.861 2.959 3.867 310 HA ARG 38 HA ARG 38 9.431 1.247 6.007 311 HB2 ARG 38 2HB ARG 38 8.695 3.552 6.307 312 HB3 ARG 38 3HB ARG 38 7.146 3.203 5.549 313 HG2 ARG 38 2HG ARG 38 6.524 1.762 7.465 314 HG3 ARG 38 3HG ARG 38 8.086 2.095 8.226 315 HD2 ARG 38 2HD ARG 38 7.527 4.499 8.322 316 HD3 ARG 38 3HD ARG 38 5.980 4.171 7.533 317 HE ARG 38 HE ARG 38 6.497 2.829 10.086 318 HH11 ARG 38 1HH1 ARG 38 4.769 5.274 8.350 319 HH12 ARG 38 2HH1 ARG 38 3.814 5.712 9.723 320 HH21 ARG 38 1HH2 ARG 38 5.232 3.397 11.805 321 HH22 ARG 38 2HH2 ARG 38 4.055 4.648 11.633 322 H LEU 39 H LEU 39 6.497 1.432 3.950 323 HA LEU 39 HA LEU 39 5.033 -0.713 5.032 324 HB2 LEU 39 2HB LEU 39 5.058 0.358 2.190 325 HB3 LEU 39 3HB LEU 39 3.869 -0.787 2.796 326 HG LEU 39 HG LEU 39 4.242 2.041 3.859 327 HD11 LEU 39 1HD1 LEU 39 3.407 2.052 1.549 328 HD12 LEU 39 2HD1 LEU 39 2.181 2.602 2.683 329 HD13 LEU 39 3HD1 LEU 39 2.084 0.973 2.010 330 HD21 LEU 39 3HD2 LEU 39 3.354 0.519 5.573 331 HD22 LEU 39 1HD2 LEU 39 2.078 -0.009 4.471 332 HD23 LEU 39 2HD2 LEU 39 2.117 1.658 5.051 333 H MET 40 H MET 40 7.575 -0.714 2.501 334 HA MET 40 HA MET 40 7.331 -3.380 1.614 335 HB2 MET 40 2HB MET 40 9.860 -1.688 1.783 336 HB3 MET 40 3HB MET 40 9.738 -3.211 0.912 337 HG2 MET 40 2HG MET 40 7.899 -2.082 -0.474 338 HG3 MET 40 3HG MET 40 8.454 -0.567 0.241 339 HE1 MET 40 3HE MET 40 12.265 -0.642 -1.023 340 HE2 MET 40 1HE MET 40 11.683 -1.414 0.451 341 HE3 MET 40 2HE MET 40 11.125 0.203 0.022 342 H LYS 41 H LYS 41 9.160 -2.000 4.302 343 HA LYS 41 HA LYS 41 10.511 -4.411 5.069 344 HB2 LYS 41 2HB LYS 41 10.099 -1.775 6.543 345 HB3 LYS 41 3HB LYS 41 11.183 -3.062 7.083 346 HG2 LYS 41 2HG LYS 41 12.540 -2.816 5.060 347 HG3 LYS 41 3HG LYS 41 11.422 -1.599 4.429 348 HD2 LYS 41 2HD LYS 41 12.014 -0.079 6.275 349 HD3 LYS 41 3HD LYS 41 13.087 -1.303 6.964 350 HE2 LYS 41 2HE LYS 41 14.487 -1.208 4.919 351 HE3 LYS 41 3HE LYS 41 13.422 0.030 4.252 352 HZ1 LYS 41 3HZ LYS 41 14.030 1.474 6.078 353 HZ2 LYS 41 1HZ LYS 41 15.396 0.978 5.220 354 HZ3 LYS 41 2HZ LYS 41 15.046 0.284 6.718 355 H ILE 42 H ILE 42 7.539 -2.806 6.169 356 HA ILE 42 HA ILE 42 7.062 -4.541 8.419 357 HB ILE 42 HB ILE 42 5.163 -2.657 6.944 358 HG12 ILE 42 2HG1 ILE 42 7.047 -1.462 8.005 359 HG13 ILE 42 3HG1 ILE 42 5.549 -1.100 8.850 360 HG21 ILE 42 1HG2 ILE 42 4.715 -4.060 9.611 361 HG22 ILE 42 2HG2 ILE 42 3.830 -4.351 8.112 362 HG23 ILE 42 3HG2 ILE 42 3.675 -2.800 8.936 363 HD11 ILE 42 3HD1 ILE 42 7.711 -2.997 9.775 364 HD12 ILE 42 1HD1 ILE 42 6.194 -2.679 10.626 365 HD13 ILE 42 2HD1 ILE 42 7.371 -1.386 10.404 366 H THR 43 H THR 43 5.493 -4.275 5.215 367 HA THR 43 HA THR 43 3.764 -6.535 5.637 368 HB THR 43 HB THR 43 2.879 -6.101 3.403 369 HG1 THR 43 HG1 THR 43 4.407 -3.935 2.726 370 HG21 THR 43 3HG2 THR 43 3.449 -3.459 4.811 371 HG22 THR 43 1HG2 THR 43 2.116 -4.559 5.187 372 HG23 THR 43 2HG2 THR 43 2.175 -3.744 3.624 373 H GLY 44 H GLY 44 6.658 -5.934 3.637 374 HA2 GLY 44 2HA GLY 44 8.240 -7.673 3.079 375 HA3 GLY 44 3HA GLY 44 6.932 -8.848 3.078 376 H LEU 45 H LEU 45 5.666 -6.241 1.561 377 HA LEU 45 HA LEU 45 5.959 -7.308 -1.124 378 HB2 LEU 45 2HB LEU 45 4.536 -4.820 -0.097 379 HB3 LEU 45 3HB LEU 45 4.366 -5.490 -1.719 380 HG LEU 45 HG LEU 45 3.574 -7.002 0.811 381 HD11 LEU 45 1HD1 LEU 45 1.247 -6.448 0.285 382 HD12 LEU 45 2HD1 LEU 45 1.778 -5.405 -1.038 383 HD13 LEU 45 3HD1 LEU 45 2.193 -5.001 0.632 384 HD21 LEU 45 3HD2 LEU 45 4.056 -8.454 -1.123 385 HD22 LEU 45 1HD2 LEU 45 2.904 -7.547 -2.109 386 HD23 LEU 45 2HD2 LEU 45 2.342 -8.480 -0.716 387 H THR 46 H THR 46 6.620 -5.939 -2.984 388 HA THR 46 HA THR 46 8.876 -4.139 -2.409 389 HB THR 46 HB THR 46 9.294 -4.115 -4.828 390 HG1 THR 46 HG1 THR 46 7.358 -5.924 -5.571 391 HG21 THR 46 3HG2 THR 46 10.159 -6.081 -3.613 392 HG22 THR 46 1HG2 THR 46 9.688 -6.519 -5.257 393 HG23 THR 46 2HG2 THR 46 8.640 -6.938 -3.899 394 H LYS 47 H LYS 47 9.007 -2.010 -3.452 395 HA LYS 47 HA LYS 47 6.887 -0.264 -2.979 396 HB2 LYS 47 2HB LYS 47 9.222 0.465 -3.114 397 HB3 LYS 47 3HB LYS 47 9.289 0.061 -4.822 398 HG2 LYS 47 2HG LYS 47 7.677 1.863 -5.332 399 HG3 LYS 47 3HG LYS 47 7.561 2.254 -3.616 400 HD2 LYS 47 2HD LYS 47 10.091 2.468 -5.301 401 HD3 LYS 47 3HD LYS 47 9.050 3.820 -4.851 402 HE2 LYS 47 2HE LYS 47 9.599 3.533 -2.497 403 HE3 LYS 47 3HE LYS 47 10.486 2.047 -2.838 404 HZ1 LYS 47 3HZ LYS 47 11.227 4.760 -3.774 405 HZ2 LYS 47 1HZ LYS 47 12.074 3.340 -4.124 406 HZ3 LYS 47 2HZ LYS 47 11.976 3.900 -2.531 407 H GLY 48 H GLY 48 7.873 -1.829 -6.016 408 HA2 GLY 48 2HA GLY 48 6.053 -0.681 -7.813 409 HA3 GLY 48 3HA GLY 48 6.775 -2.273 -7.973 410 H GLU 49 H GLU 49 5.672 -3.605 -5.770 411 HA GLU 49 HA GLU 49 3.085 -4.374 -6.669 412 HB2 GLU 49 2HB GLU 49 4.564 -4.954 -4.073 413 HB3 GLU 49 3HB GLU 49 2.998 -5.668 -4.455 414 HG2 GLU 49 2HG GLU 49 3.956 -6.779 -6.416 415 HG3 GLU 49 3HG GLU 49 5.523 -6.031 -6.093 416 H ILE 50 H ILE 50 4.135 -2.277 -4.039 417 HA ILE 50 HA ILE 50 1.612 -1.945 -2.753 418 HB ILE 50 HB ILE 50 4.145 -0.242 -2.674 419 HG12 ILE 50 2HG1 ILE 50 3.107 -2.315 -0.678 420 HG13 ILE 50 3HG1 ILE 50 4.356 -2.630 -1.874 421 HG21 ILE 50 1HG2 ILE 50 1.736 -0.092 -0.816 422 HG22 ILE 50 2HG2 ILE 50 2.261 1.153 -1.951 423 HG23 ILE 50 3HG2 ILE 50 3.271 0.743 -0.565 424 HD11 ILE 50 3HD1 ILE 50 4.552 -0.677 0.412 425 HD12 ILE 50 1HD1 ILE 50 5.811 -1.000 -0.784 426 HD13 ILE 50 2HD1 ILE 50 5.295 -2.272 0.323 427 H LYS 51 H LYS 51 3.398 0.128 -5.071 428 HA LYS 51 HA LYS 51 1.351 2.113 -5.327 429 HB2 LYS 51 2HB LYS 51 3.681 1.509 -7.191 430 HB3 LYS 51 3HB LYS 51 2.692 2.972 -7.225 431 HG2 LYS 51 2HG LYS 51 3.465 3.504 -4.906 432 HG3 LYS 51 3HG LYS 51 4.502 2.081 -4.948 433 HD2 LYS 51 2HD LYS 51 6.003 3.794 -5.490 434 HD3 LYS 51 3HD LYS 51 5.552 3.195 -7.084 435 HE2 LYS 51 2HE LYS 51 4.415 5.671 -5.722 436 HE3 LYS 51 3HE LYS 51 5.607 5.662 -7.018 437 HZ1 LYS 51 3HZ LYS 51 2.778 4.799 -7.186 438 HZ2 LYS 51 1HZ LYS 51 3.907 4.586 -8.426 439 HZ3 LYS 51 2HZ LYS 51 3.486 6.142 -7.923 440 H LYS 52 H LYS 52 2.030 -0.889 -7.024 441 HA LYS 52 HA LYS 52 0.180 -0.714 -9.164 442 HB2 LYS 52 2HB LYS 52 1.980 -2.464 -8.892 443 HB3 LYS 52 3HB LYS 52 1.036 -3.198 -7.609 444 HG2 LYS 52 2HG LYS 52 0.714 -4.485 -9.608 445 HG3 LYS 52 3HG LYS 52 -0.797 -3.632 -9.263 446 HD2 LYS 52 2HD LYS 52 -0.229 -1.926 -10.969 447 HD3 LYS 52 3HD LYS 52 1.299 -2.752 -11.299 448 HE2 LYS 52 2HE LYS 52 0.048 -4.736 -12.081 449 HE3 LYS 52 3HE LYS 52 -1.477 -3.911 -11.740 450 HZ1 LYS 52 3HZ LYS 52 -0.882 -2.232 -13.369 451 HZ2 LYS 52 1HZ LYS 52 -0.899 -3.772 -14.067 452 HZ3 LYS 52 2HZ LYS 52 0.571 -3.028 -13.697 453 H TRP 53 H TRP 53 -0.123 -1.849 -5.834 454 HA TRP 53 HA TRP 53 -2.744 -2.866 -5.861 455 HB2 TRP 53 2HB TRP 53 -1.122 -3.418 -4.104 456 HB3 TRP 53 3HB TRP 53 -1.041 -1.742 -3.583 457 HD1 TRP 53 HD1 TRP 53 -3.262 -4.874 -3.314 458 HE1 TRP 53 HE1 TRP 53 -4.964 -4.497 -1.430 459 HE3 TRP 53 HE3 TRP 53 -2.342 0.068 -2.331 460 HZ2 TRP 53 HZ2 TRP 53 -5.820 -2.403 0.249 461 HZ3 TRP 53 HZ3 TRP 53 -3.662 1.187 -0.578 462 HH2 TRP 53 HH2 TRP 53 -5.367 -0.027 0.683 463 H PHE 54 H PHE 54 -1.529 0.424 -5.071 464 HA PHE 54 HA PHE 54 -3.860 1.607 -4.072 465 HB2 PHE 54 2HB PHE 54 -1.524 2.831 -5.579 466 HB3 PHE 54 3HB PHE 54 -2.829 3.818 -4.941 467 HD1 PHE 54 HD2 PHE 54 -3.392 3.076 -2.314 468 HD2 PHE 54 HD1 PHE 54 0.411 2.911 -4.257 469 HE1 PHE 54 HE2 PHE 54 -2.261 3.234 -0.136 470 HE2 PHE 54 HE1 PHE 54 1.528 3.082 -2.076 471 HZ PHE 54 HZ PHE 54 0.194 3.240 -0.013 472 H SER 55 H SER 55 -2.920 1.110 -7.448 473 HA SER 55 HA SER 55 -4.783 2.786 -8.755 474 HB2 SER 55 2HB SER 55 -3.605 0.164 -9.763 475 HB3 SER 55 3HB SER 55 -4.324 1.427 -10.763 476 HG SER 55 HG SER 55 -1.914 1.342 -10.453 477 H ASP 56 H ASP 56 -5.008 -0.706 -7.955 478 HA ASP 56 HA ASP 56 -7.704 -1.053 -8.872 479 HB2 ASP 56 2HB ASP 56 -5.975 -2.760 -7.031 480 HB3 ASP 56 3HB ASP 56 -7.553 -3.263 -7.631 481 H THR 57 H THR 57 -6.284 -0.044 -5.850 482 HA THR 57 HA THR 57 -8.449 -0.614 -4.109 483 HB THR 57 HB THR 57 -6.194 1.395 -3.754 484 HG1 THR 57 HG1 THR 57 -5.084 -0.348 -3.457 485 HG21 THR 57 3HG2 THR 57 -8.025 1.870 -2.144 486 HG22 THR 57 1HG2 THR 57 -6.623 1.187 -1.315 487 HG23 THR 57 2HG2 THR 57 -8.034 0.179 -1.645 488 H ARG 58 H ARG 58 -7.796 2.265 -6.131 489 HA ARG 58 HA ARG 58 -9.670 3.940 -4.837 490 HB2 ARG 58 2HB ARG 58 -7.830 4.607 -6.567 491 HB3 ARG 58 3HB ARG 58 -9.047 4.244 -7.791 492 HG2 ARG 58 2HG ARG 58 -10.574 5.886 -6.763 493 HG3 ARG 58 3HG ARG 58 -9.374 6.209 -5.511 494 HD2 ARG 58 2HD ARG 58 -7.815 7.026 -7.322 495 HD3 ARG 58 3HD ARG 58 -9.155 6.856 -8.468 496 HE ARG 58 HE ARG 58 -10.366 8.410 -6.804 497 HH11 ARG 58 1HH1 ARG 58 -6.991 8.716 -7.576 498 HH12 ARG 58 2HH1 ARG 58 -6.977 10.400 -7.191 499 HH21 ARG 58 1HH2 ARG 58 -10.269 10.527 -6.287 500 HH22 ARG 58 2HH2 ARG 58 -8.788 11.398 -6.470 501 H TYR 59 H TYR 59 -10.014 1.672 -7.552 502 HA TYR 59 HA TYR 59 -12.774 1.892 -8.041 503 HB2 TYR 59 2HB TYR 59 -11.460 0.568 -9.552 504 HB3 TYR 59 3HB TYR 59 -10.835 -0.440 -8.256 505 HD1 TYR 59 HD2 TYR 59 -14.091 0.417 -9.958 506 HD2 TYR 59 HD1 TYR 59 -11.821 -2.564 -7.890 507 HE1 TYR 59 HE2 TYR 59 -15.867 -1.236 -10.378 508 HE2 TYR 59 HE1 TYR 59 -13.594 -4.209 -8.308 509 HH TYR 59 HH TYR 59 -15.997 -4.244 -8.787 510 H ASN 60 H ASN 60 -11.062 -0.344 -5.834 511 HA ASN 60 HA ASN 60 -13.228 -1.605 -4.599 512 HB2 ASN 60 2HB ASN 60 -10.982 -2.491 -4.452 513 HB3 ASN 60 3HB ASN 60 -10.389 -1.042 -3.653 514 HD21 ASN 60 1HD2 ASN 60 -10.719 -0.809 -1.440 515 HD22 ASN 60 2HD2 ASN 60 -11.271 -2.099 -0.437 516 H GLN 61 H GLN 61 -11.846 1.527 -3.920 517 HA GLN 61 HA GLN 61 -12.828 1.925 -1.273 518 HB2 GLN 61 2HB GLN 61 -10.878 3.128 -1.905 519 HB3 GLN 61 3HB GLN 61 -11.592 3.698 -3.403 520 HG2 GLN 61 2HG GLN 61 -12.796 4.647 -0.819 521 HG3 GLN 61 3HG GLN 61 -11.229 5.305 -1.286 522 HE21 GLN 61 1HE2 GLN 61 -13.909 6.560 -1.084 523 HE22 GLN 61 2HE2 GLN 61 -14.174 7.308 -2.613 524 H ARG 62 H ARG 62 -13.892 3.276 -4.434 525 HA ARG 62 HA ARG 62 -16.379 4.313 -3.263 526 HB2 ARG 62 2HB ARG 62 -16.754 5.287 -5.547 527 HB3 ARG 62 3HB ARG 62 -15.236 5.781 -4.798 528 HG2 ARG 62 2HG ARG 62 -14.026 4.114 -6.182 529 HG3 ARG 62 3HG ARG 62 -15.546 3.670 -6.963 530 HD2 ARG 62 2HD ARG 62 -14.219 5.222 -8.346 531 HD3 ARG 62 3HD ARG 62 -15.765 5.929 -7.877 532 HE ARG 62 HE ARG 62 -14.035 6.839 -5.970 533 HH11 ARG 62 1HH1 ARG 62 -13.991 6.981 -9.432 534 HH12 ARG 62 2HH1 ARG 62 -13.187 8.507 -9.456 535 HH21 ARG 62 1HH2 ARG 62 -13.020 8.783 -6.039 536 HH22 ARG 62 2HH2 ARG 62 -12.645 9.515 -7.564 537 H ASN 63 H ASN 63 -15.411 1.403 -4.702 538 HA ASN 63 HA ASN 63 -18.227 0.582 -5.175 539 HB2 ASN 63 2HB ASN 63 -16.946 0.577 -7.299 540 HB3 ASN 63 3HB ASN 63 -15.723 -0.460 -6.586 541 HD21 ASN 63 1HD2 ASN 63 -16.214 -2.667 -6.253 542 HD22 ASN 63 2HD2 ASN 63 -17.560 -3.427 -7.017 543 H SER 64 H SER 64 -18.253 0.183 -2.886 544 HA SER 64 HA SER 64 -16.929 -2.293 -1.959 545 HB2 SER 64 2HB SER 64 -17.826 -1.682 0.278 546 HB3 SER 64 3HB SER 64 -16.885 -0.360 -0.409 547 HG SER 64 HG SER 64 -18.976 0.185 0.576 548 H LYS 65 H LYS 65 -20.095 -0.882 -2.615 549 HA LYS 65 HA LYS 65 -21.379 -3.527 -2.875 550 HB2 LYS 65 2HB LYS 65 -22.442 -1.196 -1.201 551 HB3 LYS 65 3HB LYS 65 -23.433 -2.569 -1.692 552 HG2 LYS 65 2HG LYS 65 -22.022 -4.091 -0.386 553 HG3 LYS 65 3HG LYS 65 -20.956 -2.751 0.057 554 HD2 LYS 65 2HD LYS 65 -22.717 -1.691 1.352 555 HD3 LYS 65 3HD LYS 65 -23.916 -2.850 0.765 556 HE2 LYS 65 2HE LYS 65 -21.525 -3.554 2.509 557 HE3 LYS 65 3HE LYS 65 -23.179 -3.334 3.086 558 HZ1 LYS 65 3HZ LYS 65 -22.692 -5.659 2.761 559 HZ2 LYS 65 1HZ LYS 65 -22.267 -5.389 1.146 560 HZ3 LYS 65 2HZ LYS 65 -23.865 -5.168 1.646 561 H SER 66 H SER 66 -22.110 -3.520 -4.976 562 HA SER 66 HA SER 66 -22.805 -1.149 -6.444 563 HB2 SER 66 2HB SER 66 -23.296 -4.088 -7.109 564 HB3 SER 66 3HB SER 66 -23.620 -2.750 -8.214 565 HG SER 66 HG SER 66 -21.244 -3.925 -7.528 566 H ASN 67 H ASN 67 -24.412 -0.020 -5.470 567 HA ASN 67 HA ASN 67 -26.966 -1.274 -4.700 568 HB2 ASN 67 2HB ASN 67 -25.907 1.553 -4.259 569 HB3 ASN 67 3HB ASN 67 -27.416 0.922 -3.601 570 HD21 ASN 67 1HD2 ASN 67 -24.889 1.929 -2.325 571 HD22 ASN 67 2HD2 ASN 67 -24.439 0.685 -1.217 572 H GLN 68 H GLN 68 -28.978 0.070 -5.159 573 HA GLN 68 HA GLN 68 -29.280 0.456 -8.012 574 HB2 GLN 68 2HB GLN 68 -31.259 0.890 -5.733 575 HB3 GLN 68 3HB GLN 68 -31.668 0.949 -7.448 576 HG2 GLN 68 2HG GLN 68 -30.968 -1.435 -7.657 577 HG3 GLN 68 3HG GLN 68 -30.674 -1.483 -5.921 578 HE21 GLN 68 1HE2 GLN 68 -32.476 -1.415 -4.510 579 HE22 GLN 68 2HE2 GLN 68 -34.073 -1.761 -5.060 580 H CYS 69 H CYS 69 -28.734 2.279 -9.011 581 HA CYS 69 HA CYS 69 -28.508 4.415 -9.668 582 HB2 CYS 69 2HB CYS 69 -30.861 4.753 -9.157 583 HB3 CYS 69 3HB CYS 69 -30.497 5.031 -7.456 584 HG CYS 69 HG CYS 69 -29.034 7.404 -8.003 585 H LEU 70 H LEU 70 -26.309 4.473 -9.163 586 HA LEU 70 HA LEU 70 -25.264 5.320 -6.614 587 HB2 LEU 70 2HB LEU 70 -23.939 5.072 -9.347 588 HB3 LEU 70 3HB LEU 70 -23.075 5.573 -7.905 589 HG LEU 70 HG LEU 70 -23.670 3.315 -6.875 590 HD11 LEU 70 1HD1 LEU 70 -24.275 1.457 -8.354 591 HD12 LEU 70 2HD1 LEU 70 -24.481 2.578 -9.702 592 HD13 LEU 70 3HD1 LEU 70 -25.554 2.673 -8.303 593 HD21 LEU 70 3HD2 LEU 70 -21.434 3.792 -7.744 594 HD22 LEU 70 1HD2 LEU 70 -21.933 3.297 -9.364 595 HD23 LEU 70 2HD2 LEU 70 -21.875 2.117 -8.053 596 H HIS 71 H HIS 71 -23.986 7.228 -6.265 597 HA HIS 71 HA HIS 71 -24.878 9.667 -7.707 598 HB2 HIS 71 2HB HIS 71 -24.088 9.439 -4.761 599 HB3 HIS 71 3HB HIS 71 -24.697 10.879 -5.574 600 HD1 HIS 71 HD1 HIS 71 -27.257 10.926 -6.134 601 HD2 HIS 71 HD2 HIS 71 -26.048 7.618 -3.931 602 HE1 HIS 71 HE1 HIS 71 -29.365 9.893 -5.267 603 HE2 HIS 71 HE2 HIS 71 -28.595 8.023 -3.782 604 H LEU 72 H LEU 72 -23.252 11.529 -7.370 605 HA LEU 72 HA LEU 72 -20.629 10.733 -8.252 606 HB2 LEU 72 2HB LEU 72 -21.752 12.770 -9.098 607 HB3 LEU 72 3HB LEU 72 -21.708 13.475 -7.492 608 HG LEU 72 HG LEU 72 -19.217 13.563 -7.589 609 HD11 LEU 72 1HD1 LEU 72 -18.018 13.110 -9.697 610 HD12 LEU 72 2HD1 LEU 72 -19.507 12.491 -10.415 611 HD13 LEU 72 3HD1 LEU 72 -18.771 11.654 -9.046 612 HD21 LEU 72 3HD2 LEU 72 -20.516 15.523 -8.319 613 HD22 LEU 72 1HD2 LEU 72 -20.554 14.898 -9.971 614 HD23 LEU 72 2HD2 LEU 72 -19.020 15.379 -9.239 615 H ASN 73 H ASN 73 -19.584 9.603 -6.643 616 HA ASN 73 HA ASN 73 -19.188 10.818 -3.972 617 HB2 ASN 73 2HB ASN 73 -18.690 7.956 -4.915 618 HB3 ASN 73 3HB ASN 73 -18.487 8.537 -3.266 619 HD21 ASN 73 1HD2 ASN 73 -20.933 10.180 -3.306 620 HD22 ASN 73 2HD2 ASN 73 -22.239 9.061 -3.244 621 H ASN 74 H ASN 74 -17.153 11.233 -3.157 622 HA ASN 74 HA ASN 74 -14.828 11.269 -4.901 623 HB2 ASN 74 2HB ASN 74 -15.249 13.098 -3.255 624 HB3 ASN 74 3HB ASN 74 -15.119 11.955 -1.929 625 HD21 ASN 74 1HD2 ASN 74 -13.031 11.021 -1.486 626 HD22 ASN 74 2HD2 ASN 74 -11.588 11.831 -1.986 Start of MODEL 7 1 H1 SER 1 1H SER 1 -6.530 -18.210 22.922 2 H2 SER 1 2H SER 1 -5.218 -18.317 21.864 3 H3 SER 1 3H SER 1 -6.295 -19.613 22.008 4 HA SER 1 HA SER 1 -8.065 -18.354 21.065 5 HB2 SER 1 2HB SER 1 -6.023 -16.103 20.823 6 HB3 SER 1 3HB SER 1 -7.676 -16.054 20.204 7 HG SER 1 HG SER 1 -7.421 -15.028 22.260 8 H HIS 2 H HIS 2 -8.288 -17.892 18.667 9 HA HIS 2 HA HIS 2 -6.044 -18.588 16.945 10 HB2 HIS 2 2HB HIS 2 -7.027 -20.546 15.925 11 HB3 HIS 2 3HB HIS 2 -7.012 -20.814 17.657 12 HD1 HIS 2 HD1 HIS 2 -9.006 -21.810 15.119 13 HD2 HIS 2 HD2 HIS 2 -9.902 -19.580 18.514 14 HE1 HIS 2 HE1 HIS 2 -11.483 -22.054 15.453 15 HE2 HIS 2 HE2 HIS 2 -12.012 -20.630 17.449 16 H MET 3 H MET 3 -6.328 -17.947 14.781 17 HA MET 3 HA MET 3 -8.950 -16.879 13.935 18 HB2 MET 3 2HB MET 3 -7.571 -14.942 14.725 19 HB3 MET 3 3HB MET 3 -6.318 -15.371 13.570 20 HG2 MET 3 2HG MET 3 -7.988 -14.979 11.724 21 HG3 MET 3 3HG MET 3 -9.115 -14.380 12.940 22 HE1 MET 3 3HE MET 3 -7.067 -12.783 14.931 23 HE2 MET 3 1HE MET 3 -8.644 -12.176 14.422 24 HE3 MET 3 2HE MET 3 -7.211 -11.167 14.242 25 HA PRO 4 HA PRO 4 -7.187 -19.317 10.413 26 HB2 PRO 4 2HB PRO 4 -8.880 -21.403 10.362 27 HB3 PRO 4 3HB PRO 4 -7.595 -21.310 11.576 28 HG2 PRO 4 2HG PRO 4 -10.537 -20.842 11.897 29 HG3 PRO 4 3HG PRO 4 -9.372 -21.492 13.067 30 HD2 PRO 4 2HD PRO 4 -10.321 -18.776 12.882 31 HD3 PRO 4 3HD PRO 4 -9.056 -19.400 13.963 32 H ASP 5 H ASP 5 -7.695 -18.303 8.497 33 HA ASP 5 HA ASP 5 -10.421 -17.508 7.808 34 HB2 ASP 5 2HB ASP 5 -7.772 -17.197 6.325 35 HB3 ASP 5 3HB ASP 5 -9.309 -16.556 5.743 36 H SER 6 H SER 6 -9.932 -20.347 8.067 37 HA SER 6 HA SER 6 -9.641 -21.812 5.697 38 HB2 SER 6 2HB SER 6 -9.506 -22.845 7.927 39 HB3 SER 6 3HB SER 6 -11.200 -22.471 8.241 40 HG SER 6 HG SER 6 -11.015 -24.608 7.586 41 H PHE 7 H PHE 7 -10.966 -22.160 3.992 42 HA PHE 7 HA PHE 7 -12.528 -21.729 2.438 43 HB2 PHE 7 2HB PHE 7 -13.973 -23.222 3.761 44 HB3 PHE 7 3HB PHE 7 -14.499 -21.871 4.755 45 HD1 PHE 7 HD1 PHE 7 -14.416 -22.957 1.154 46 HD2 PHE 7 HD2 PHE 7 -16.545 -20.813 4.189 47 HE1 PHE 7 HE1 PHE 7 -16.266 -22.555 -0.416 48 HE2 PHE 7 HE2 PHE 7 -18.392 -20.418 2.608 49 HZ PHE 7 HZ PHE 7 -18.251 -21.286 0.305 50 H GLY 8 H GLY 8 -11.760 -19.698 1.834 51 HA2 GLY 8 2HA GLY 8 -13.537 -17.546 1.818 52 HA3 GLY 8 3HA GLY 8 -12.440 -17.251 3.160 53 H ILE 9 H ILE 9 -11.519 -18.786 0.083 54 HA ILE 9 HA ILE 9 -9.505 -16.803 -0.463 55 HB ILE 9 HB ILE 9 -10.532 -19.031 -2.280 56 HG12 ILE 9 2HG1 ILE 9 -9.553 -19.927 -0.202 57 HG13 ILE 9 3HG1 ILE 9 -8.504 -20.283 -1.565 58 HG21 ILE 9 1HG2 ILE 9 -9.425 -17.292 -3.615 59 HG22 ILE 9 2HG2 ILE 9 -8.411 -18.733 -3.551 60 HG23 ILE 9 3HG2 ILE 9 -8.015 -17.332 -2.552 61 HD11 ILE 9 3HD1 ILE 9 -7.009 -18.460 -0.878 62 HD12 ILE 9 1HD1 ILE 9 -7.230 -19.656 0.397 63 HD13 ILE 9 2HD1 ILE 9 -8.069 -18.109 0.490 64 H ARG 10 H ARG 10 -10.397 -14.827 -0.725 65 HA ARG 10 HA ARG 10 -11.670 -14.158 -3.239 66 HB2 ARG 10 2HB ARG 10 -13.576 -12.899 -2.164 67 HB3 ARG 10 3HB ARG 10 -13.694 -14.647 -2.018 68 HG2 ARG 10 2HG ARG 10 -12.895 -14.506 0.331 69 HG3 ARG 10 3HG ARG 10 -12.795 -12.749 0.186 70 HD2 ARG 10 2HD ARG 10 -15.222 -12.619 -0.171 71 HD3 ARG 10 3HD ARG 10 -15.345 -14.382 -0.119 72 HE ARG 10 HE ARG 10 -14.169 -13.308 2.263 73 HH11 ARG 10 1HH1 ARG 10 -17.241 -13.913 0.761 74 HH12 ARG 10 2HH1 ARG 10 -18.064 -13.940 2.281 75 HH21 ARG 10 1HH2 ARG 10 -15.267 -13.353 4.160 76 HH22 ARG 10 2HH2 ARG 10 -16.978 -13.616 4.158 77 H ALA 11 H ALA 11 -10.675 -13.006 -0.010 78 HA ALA 11 HA ALA 11 -9.587 -10.505 -1.092 79 HB1 ALA 11 3HB ALA 11 -9.059 -9.991 1.270 80 HB2 ALA 11 1HB ALA 11 -9.598 -11.603 1.757 81 HB3 ALA 11 2HB ALA 11 -10.752 -10.447 1.087 82 H LYS 12 H LYS 12 -7.715 -10.816 -2.204 83 HA LYS 12 HA LYS 12 -5.897 -13.005 -1.730 84 HB2 LYS 12 2HB LYS 12 -5.712 -10.589 -3.581 85 HB3 LYS 12 3HB LYS 12 -4.593 -11.954 -3.604 86 HG2 LYS 12 2HG LYS 12 -6.372 -13.481 -4.264 87 HG3 LYS 12 3HG LYS 12 -7.590 -12.218 -4.081 88 HD2 LYS 12 2HD LYS 12 -5.326 -12.176 -6.120 89 HD3 LYS 12 3HD LYS 12 -6.982 -12.679 -6.464 90 HE2 LYS 12 2HE LYS 12 -7.745 -10.370 -5.787 91 HE3 LYS 12 3HE LYS 12 -6.047 -9.907 -5.642 92 HZ1 LYS 12 3HZ LYS 12 -7.009 -9.282 -7.768 93 HZ2 LYS 12 1HZ LYS 12 -7.354 -10.898 -8.111 94 HZ3 LYS 12 2HZ LYS 12 -5.751 -10.383 -7.971 95 H LYS 13 H LYS 13 -3.513 -12.682 -1.491 96 HA LYS 13 HA LYS 13 -1.745 -12.251 -0.155 97 HB2 LYS 13 2HB LYS 13 -2.839 -9.432 0.241 98 HB3 LYS 13 3HB LYS 13 -1.176 -9.968 0.492 99 HG2 LYS 13 2HG LYS 13 -0.929 -10.375 -1.933 100 HG3 LYS 13 3HG LYS 13 -2.612 -9.894 -2.187 101 HD2 LYS 13 2HD LYS 13 -2.013 -7.614 -1.255 102 HD3 LYS 13 3HD LYS 13 -0.323 -8.133 -1.225 103 HE2 LYS 13 2HE LYS 13 -2.102 -7.842 -3.672 104 HE3 LYS 13 3HE LYS 13 -0.704 -6.853 -3.247 105 HZ1 LYS 13 3HZ LYS 13 -0.635 -9.741 -3.952 106 HZ2 LYS 13 1HZ LYS 13 0.707 -8.810 -3.522 107 HZ3 LYS 13 2HZ LYS 13 -0.136 -8.464 -4.942 108 H THR 14 H THR 14 -1.149 -11.349 2.212 109 HA THR 14 HA THR 14 -2.966 -12.673 4.055 110 HB THR 14 HB THR 14 -1.326 -12.248 5.819 111 HG1 THR 14 HG1 THR 14 -0.162 -10.511 3.911 112 HG21 THR 14 3HG2 THR 14 -0.809 -14.123 4.292 113 HG22 THR 14 1HG2 THR 14 0.666 -13.354 4.886 114 HG23 THR 14 2HG2 THR 14 0.097 -13.020 3.250 115 H LYS 15 H LYS 15 -3.931 -11.758 5.912 116 HA LYS 15 HA LYS 15 -5.450 -9.456 5.683 117 HB2 LYS 15 2HB LYS 15 -6.027 -11.186 7.258 118 HB3 LYS 15 3HB LYS 15 -4.501 -11.014 8.115 119 HG2 LYS 15 2HG LYS 15 -5.225 -8.799 8.961 120 HG3 LYS 15 3HG LYS 15 -6.765 -8.978 8.108 121 HD2 LYS 15 2HD LYS 15 -7.390 -10.867 9.497 122 HD3 LYS 15 3HD LYS 15 -5.781 -10.943 10.218 123 HE2 LYS 15 2HE LYS 15 -7.668 -8.584 10.547 124 HE3 LYS 15 3HE LYS 15 -7.544 -9.916 11.695 125 HZ1 LYS 15 3HZ LYS 15 -5.301 -8.126 10.926 126 HZ2 LYS 15 1HZ LYS 15 -5.246 -9.352 12.083 127 HZ3 LYS 15 2HZ LYS 15 -6.209 -7.988 12.346 128 H GLU 16 H GLU 16 -2.333 -9.810 7.393 129 HA GLU 16 HA GLU 16 -2.282 -7.227 8.566 130 HB2 GLU 16 2HB GLU 16 0.105 -9.033 7.997 131 HB3 GLU 16 3HB GLU 16 0.022 -7.733 9.186 132 HG2 GLU 16 2HG GLU 16 -1.494 -10.366 9.253 133 HG3 GLU 16 3HG GLU 16 -0.158 -9.885 10.295 134 H GLN 17 H GLN 17 -0.658 -8.500 5.628 135 HA GLN 17 HA GLN 17 0.772 -6.191 4.858 136 HB2 GLN 17 2HB GLN 17 -0.347 -8.489 3.212 137 HB3 GLN 17 3HB GLN 17 0.673 -7.233 2.514 138 HG2 GLN 17 2HG GLN 17 2.526 -7.880 3.953 139 HG3 GLN 17 3HG GLN 17 1.517 -9.072 4.772 140 HE21 GLN 17 1HE2 GLN 17 4.020 -9.410 3.238 141 HE22 GLN 17 2HE2 GLN 17 3.661 -10.564 2.008 142 H LEU 18 H LEU 18 -2.453 -7.303 3.811 143 HA LEU 18 HA LEU 18 -2.986 -5.180 2.002 144 HB2 LEU 18 2HB LEU 18 -4.076 -7.593 2.361 145 HB3 LEU 18 3HB LEU 18 -5.210 -6.713 3.360 146 HG LEU 18 HG LEU 18 -4.721 -6.193 0.387 147 HD11 LEU 18 1HD1 LEU 18 -6.899 -7.260 0.001 148 HD12 LEU 18 2HD1 LEU 18 -7.035 -7.641 1.720 149 HD13 LEU 18 3HD1 LEU 18 -5.760 -8.378 0.749 150 HD21 LEU 18 3HD2 LEU 18 -5.514 -4.159 1.513 151 HD22 LEU 18 1HD2 LEU 18 -6.882 -5.044 2.193 152 HD23 LEU 18 2HD2 LEU 18 -6.755 -4.808 0.446 153 H ALA 19 H ALA 19 -3.692 -5.645 5.446 154 HA ALA 19 HA ALA 19 -5.462 -3.449 5.831 155 HB1 ALA 19 3HB ALA 19 -3.692 -4.847 7.864 156 HB2 ALA 19 1HB ALA 19 -5.322 -5.332 7.395 157 HB3 ALA 19 2HB ALA 19 -5.069 -3.797 8.227 158 H GLU 20 H GLU 20 -1.905 -3.718 6.297 159 HA GLU 20 HA GLU 20 -1.488 -1.081 7.269 160 HB2 GLU 20 2HB GLU 20 0.436 -2.937 5.820 161 HB3 GLU 20 3HB GLU 20 0.914 -1.418 6.574 162 HG2 GLU 20 2HG GLU 20 -0.197 -3.869 7.976 163 HG3 GLU 20 3HG GLU 20 1.467 -3.290 8.022 164 H LEU 21 H LEU 21 -1.638 -2.368 3.970 165 HA LEU 21 HA LEU 21 -0.929 0.025 2.587 166 HB2 LEU 21 2HB LEU 21 -2.589 -2.361 1.704 167 HB3 LEU 21 3HB LEU 21 -2.076 -1.075 0.622 168 HG LEU 21 HG LEU 21 -0.210 -2.987 2.094 169 HD11 LEU 21 1HD1 LEU 21 -1.436 -4.133 0.320 170 HD12 LEU 21 2HD1 LEU 21 0.256 -3.941 -0.125 171 HD13 LEU 21 3HD1 LEU 21 -0.968 -2.891 -0.846 172 HD21 LEU 21 3HD2 LEU 21 0.846 -0.804 1.782 173 HD22 LEU 21 1HD2 LEU 21 0.433 -0.820 0.064 174 HD23 LEU 21 2HD2 LEU 21 1.581 -1.995 0.712 175 H LYS 22 H LYS 22 -4.057 -1.304 3.705 176 HA LYS 22 HA LYS 22 -5.783 0.673 2.629 177 HB2 LYS 22 2HB LYS 22 -6.062 -1.118 5.073 178 HB3 LYS 22 3HB LYS 22 -7.347 -0.032 4.549 179 HG2 LYS 22 2HG LYS 22 -7.555 -1.221 2.432 180 HG3 LYS 22 3HG LYS 22 -6.177 -2.249 2.837 181 HD2 LYS 22 2HD LYS 22 -8.343 -3.414 3.191 182 HD3 LYS 22 3HD LYS 22 -7.419 -3.261 4.687 183 HE2 LYS 22 2HE LYS 22 -9.793 -2.792 5.091 184 HE3 LYS 22 3HE LYS 22 -8.833 -1.341 5.359 185 HZ1 LYS 22 3HZ LYS 22 -10.530 -1.958 3.007 186 HZ2 LYS 22 1HZ LYS 22 -9.481 -0.635 3.080 187 HZ3 LYS 22 2HZ LYS 22 -10.773 -0.746 4.159 188 H VAL 23 H VAL 23 -4.178 0.491 5.817 189 HA VAL 23 HA VAL 23 -5.052 2.948 6.895 190 HB VAL 23 HB VAL 23 -2.476 1.392 7.407 191 HG11 VAL 23 1HG1 VAL 23 -2.146 3.721 8.142 192 HG12 VAL 23 2HG1 VAL 23 -2.289 2.656 9.541 193 HG13 VAL 23 3HG1 VAL 23 -3.654 3.665 9.060 194 HG21 VAL 23 3HG2 VAL 23 -5.096 1.452 8.954 195 HG22 VAL 23 1HG2 VAL 23 -3.654 0.543 9.411 196 HG23 VAL 23 2HG2 VAL 23 -4.527 0.126 7.935 197 H SER 24 H SER 24 -2.220 2.139 4.893 198 HA SER 24 HA SER 24 -1.080 4.741 4.778 199 HB2 SER 24 2HB SER 24 0.212 2.729 4.185 200 HB3 SER 24 3HB SER 24 -0.818 2.458 2.779 201 HG SER 24 HG SER 24 -0.027 4.355 1.869 202 H TYR 25 H TYR 25 -3.693 3.240 2.921 203 HA TYR 25 HA TYR 25 -3.842 5.209 0.825 204 HB2 TYR 25 2HB TYR 25 -4.767 2.927 0.547 205 HB3 TYR 25 3HB TYR 25 -5.944 3.228 1.819 206 HD1 TYR 25 HD1 TYR 25 -4.874 4.540 -1.552 207 HD2 TYR 25 HD2 TYR 25 -8.097 4.033 1.216 208 HE1 TYR 25 HE1 TYR 25 -6.454 5.396 -3.238 209 HE2 TYR 25 HE2 TYR 25 -9.676 4.875 -0.470 210 HH TYR 25 HH TYR 25 -9.724 6.203 -2.457 211 H LEU 26 H LEU 26 -5.361 4.807 3.998 212 HA LEU 26 HA LEU 26 -7.111 7.053 3.916 213 HB2 LEU 26 2HB LEU 26 -5.803 5.733 6.326 214 HB3 LEU 26 3HB LEU 26 -7.180 6.827 6.387 215 HG LEU 26 HG LEU 26 -7.169 4.057 5.112 216 HD11 LEU 26 1HD1 LEU 26 -8.484 4.990 7.682 217 HD12 LEU 26 2HD1 LEU 26 -7.069 3.940 7.549 218 HD13 LEU 26 3HD1 LEU 26 -8.631 3.386 6.954 219 HD21 LEU 26 3HD2 LEU 26 -9.596 4.347 4.839 220 HD22 LEU 26 1HD2 LEU 26 -8.692 5.542 3.909 221 HD23 LEU 26 2HD2 LEU 26 -9.475 6.008 5.422 222 H LYS 27 H LYS 27 -3.749 6.636 4.982 223 HA LYS 27 HA LYS 27 -3.219 9.260 5.941 224 HB2 LYS 27 2HB LYS 27 -1.379 7.105 4.820 225 HB3 LYS 27 3HB LYS 27 -0.798 8.579 5.596 226 HG2 LYS 27 2HG LYS 27 -1.738 7.933 7.716 227 HG3 LYS 27 3HG LYS 27 -2.609 6.585 6.984 228 HD2 LYS 27 2HD LYS 27 -0.602 5.846 8.249 229 HD3 LYS 27 3HD LYS 27 -0.521 5.401 6.544 230 HE2 LYS 27 2HE LYS 27 1.652 6.231 7.372 231 HE3 LYS 27 3HE LYS 27 1.008 7.278 6.111 232 HZ1 LYS 27 3HZ LYS 27 0.878 7.816 9.030 233 HZ2 LYS 27 1HZ LYS 27 0.287 8.825 7.813 234 HZ3 LYS 27 2HZ LYS 27 1.946 8.539 7.936 235 H ASN 28 H ASN 28 -2.309 7.734 2.828 236 HA ASN 28 HA ASN 28 -2.743 10.170 1.313 237 HB2 ASN 28 2HB ASN 28 -0.412 10.490 2.080 238 HB3 ASN 28 3HB ASN 28 0.030 8.905 1.456 239 HD21 ASN 28 1HD2 ASN 28 1.640 9.941 0.186 240 HD22 ASN 28 2HD2 ASN 28 1.234 10.768 -1.271 241 H GLN 29 H GLN 29 -3.562 9.639 -0.631 242 HA GLN 29 HA GLN 29 -4.167 6.885 -1.186 243 HB2 GLN 29 2HB GLN 29 -4.866 9.390 -2.766 244 HB3 GLN 29 3HB GLN 29 -5.535 7.795 -3.058 245 HG2 GLN 29 2HG GLN 29 -7.175 9.039 -1.858 246 HG3 GLN 29 3HG GLN 29 -6.514 7.849 -0.743 247 HE21 GLN 29 1HE2 GLN 29 -7.026 8.963 1.135 248 HE22 GLN 29 2HE2 GLN 29 -6.316 10.475 1.570 249 H PHE 30 H PHE 30 -1.777 9.113 -2.290 250 HA PHE 30 HA PHE 30 -0.673 7.074 -4.114 251 HB2 PHE 30 2HB PHE 30 -0.776 10.056 -4.761 252 HB3 PHE 30 3HB PHE 30 0.001 8.822 -5.742 253 HD1 PHE 30 HD2 PHE 30 -1.354 7.258 -7.102 254 HD2 PHE 30 HD1 PHE 30 -3.226 10.323 -4.763 255 HE1 PHE 30 HE2 PHE 30 -3.457 6.940 -8.348 256 HE2 PHE 30 HE1 PHE 30 -5.312 9.994 -6.016 257 HZ PHE 30 HZ PHE 30 -5.431 8.308 -7.805 258 HA PRO 31 HA PRO 31 2.572 8.485 -1.013 259 HB2 PRO 31 2HB PRO 31 3.664 5.990 -0.620 260 HB3 PRO 31 3HB PRO 31 2.277 6.592 0.299 261 HG2 PRO 31 2HG PRO 31 2.308 4.783 -2.118 262 HG3 PRO 31 3HG PRO 31 1.375 4.614 -0.615 263 HD2 PRO 31 2HD PRO 31 0.253 5.614 -2.867 264 HD3 PRO 31 3HD PRO 31 -0.204 6.223 -1.260 265 H HIS 32 H HIS 32 4.557 9.163 -1.663 266 HA HIS 32 HA HIS 32 5.251 8.990 -4.422 267 HB2 HIS 32 2HB HIS 32 6.928 10.151 -2.156 268 HB3 HIS 32 3HB HIS 32 7.074 10.529 -3.874 269 HD2 HIS 32 HD2 HIS 32 5.160 12.294 -4.883 270 HE1 HIS 32 HE1 HIS 32 3.332 13.066 -1.146 271 HE2 HIS 32 HE2 HIS 32 3.297 13.580 -3.620 272 H ASP 33 H ASP 33 7.431 8.292 -1.675 273 HA ASP 33 HA ASP 33 8.157 5.674 -2.618 274 HB2 ASP 33 2HB ASP 33 10.658 6.253 -2.816 275 HB3 ASP 33 3HB ASP 33 9.615 6.723 -4.149 276 H SER 34 H SER 34 8.999 8.373 -0.428 277 HA SER 34 HA SER 34 10.522 6.986 1.475 278 HB2 SER 34 2HB SER 34 10.435 9.426 1.442 279 HB3 SER 34 3HB SER 34 8.721 9.410 1.855 280 HG SER 34 HG SER 34 10.903 8.605 3.490 281 H GLU 35 H GLU 35 6.991 7.528 1.442 282 HA GLU 35 HA GLU 35 6.369 6.146 3.843 283 HB2 GLU 35 2HB GLU 35 4.833 7.732 2.633 284 HB3 GLU 35 3HB GLU 35 4.593 6.510 1.394 285 HG2 GLU 35 2HG GLU 35 2.698 6.516 2.912 286 HG3 GLU 35 3HG GLU 35 3.588 5.005 3.097 287 H ILE 36 H ILE 36 6.700 5.107 0.482 288 HA ILE 36 HA ILE 36 5.791 2.421 0.793 289 HB ILE 36 HB ILE 36 7.594 3.583 -1.375 290 HG12 ILE 36 2HG1 ILE 36 4.552 3.282 -1.303 291 HG13 ILE 36 3HG1 ILE 36 5.435 4.801 -1.191 292 HG21 ILE 36 1HG2 ILE 36 6.845 1.695 -2.780 293 HG22 ILE 36 2HG2 ILE 36 5.923 1.040 -1.428 294 HG23 ILE 36 3HG2 ILE 36 7.684 1.114 -1.339 295 HD11 ILE 36 3HD1 ILE 36 5.345 2.971 -3.589 296 HD12 ILE 36 1HD1 ILE 36 6.256 4.481 -3.480 297 HD13 ILE 36 2HD1 ILE 36 4.495 4.503 -3.391 298 H ILE 37 H ILE 37 8.991 3.948 1.174 299 HA ILE 37 HA ILE 37 10.649 1.682 1.319 300 HB ILE 37 HB ILE 37 10.895 4.306 2.854 301 HG12 ILE 37 2HG1 ILE 37 10.990 4.658 0.426 302 HG13 ILE 37 3HG1 ILE 37 12.575 4.940 1.122 303 HG21 ILE 37 1HG2 ILE 37 13.009 2.152 2.508 304 HG22 ILE 37 2HG2 ILE 37 12.219 2.610 4.018 305 HG23 ILE 37 3HG2 ILE 37 13.291 3.750 3.204 306 HD11 ILE 37 3HD1 ILE 37 13.286 2.718 0.331 307 HD12 ILE 37 1HD1 ILE 37 12.756 3.777 -0.975 308 HD13 ILE 37 2HD1 ILE 37 11.695 2.490 -0.404 309 H ARG 38 H ARG 38 8.876 3.369 3.917 310 HA ARG 38 HA ARG 38 9.241 1.594 6.046 311 HB2 ARG 38 2HB ARG 38 8.196 3.724 6.455 312 HB3 ARG 38 3HB ARG 38 6.918 3.403 5.289 313 HG2 ARG 38 2HG ARG 38 6.030 1.618 6.800 314 HG3 ARG 38 3HG ARG 38 7.278 2.032 7.980 315 HD2 ARG 38 2HD ARG 38 6.334 4.251 8.271 316 HD3 ARG 38 3HD ARG 38 5.181 3.976 6.959 317 HE ARG 38 HE ARG 38 4.800 1.990 8.903 318 HH11 ARG 38 1HH1 ARG 38 4.284 5.405 8.562 319 HH12 ARG 38 2HH1 ARG 38 2.993 5.412 9.705 320 HH21 ARG 38 1HH2 ARG 38 3.130 2.041 10.298 321 HH22 ARG 38 2HH2 ARG 38 2.320 3.526 10.641 322 H LEU 39 H LEU 39 6.522 1.656 3.693 323 HA LEU 39 HA LEU 39 5.059 -0.508 4.667 324 HB2 LEU 39 2HB LEU 39 5.236 0.588 1.843 325 HB3 LEU 39 3HB LEU 39 4.028 -0.581 2.351 326 HG LEU 39 HG LEU 39 4.294 2.227 3.507 327 HD11 LEU 39 1HD1 LEU 39 3.624 2.315 1.152 328 HD12 LEU 39 2HD1 LEU 39 2.289 2.782 2.202 329 HD13 LEU 39 3HD1 LEU 39 2.305 1.179 1.460 330 HD21 LEU 39 3HD2 LEU 39 3.309 0.643 5.105 331 HD22 LEU 39 1HD2 LEU 39 2.125 0.127 3.899 332 HD23 LEU 39 2HD2 LEU 39 2.090 1.777 4.528 333 H MET 40 H MET 40 7.757 -0.572 2.337 334 HA MET 40 HA MET 40 7.403 -3.268 1.477 335 HB2 MET 40 2HB MET 40 9.841 -1.460 1.311 336 HB3 MET 40 3HB MET 40 9.767 -3.063 0.590 337 HG2 MET 40 2HG MET 40 7.798 -2.268 -0.765 338 HG3 MET 40 3HG MET 40 8.109 -0.645 -0.155 339 HE1 MET 40 3HE MET 40 11.312 -0.546 -0.105 340 HE2 MET 40 1HE MET 40 10.298 0.754 -0.734 341 HE3 MET 40 2HE MET 40 11.631 0.121 -1.703 342 H LYS 41 H LYS 41 9.385 -1.792 4.024 343 HA LYS 41 HA LYS 41 10.686 -4.283 4.759 344 HB2 LYS 41 2HB LYS 41 10.645 -1.576 6.153 345 HB3 LYS 41 3HB LYS 41 11.693 -2.927 6.594 346 HG2 LYS 41 2HG LYS 41 12.752 -2.807 4.334 347 HG3 LYS 41 3HG LYS 41 11.740 -1.409 3.952 348 HD2 LYS 41 2HD LYS 41 13.831 -1.563 6.167 349 HD3 LYS 41 3HD LYS 41 14.012 -0.716 4.628 350 HE2 LYS 41 2HE LYS 41 12.196 0.831 5.254 351 HE3 LYS 41 3HE LYS 41 11.961 -0.040 6.770 352 HZ1 LYS 41 3HZ LYS 41 14.386 1.463 5.968 353 HZ2 LYS 41 1HZ LYS 41 14.233 0.563 7.393 354 HZ3 LYS 41 2HZ LYS 41 13.255 1.917 7.135 355 H ILE 42 H ILE 42 7.818 -2.571 5.733 356 HA ILE 42 HA ILE 42 7.443 -3.957 8.259 357 HB ILE 42 HB ILE 42 5.631 -2.055 6.698 358 HG12 ILE 42 2HG1 ILE 42 7.591 -0.917 7.632 359 HG13 ILE 42 3HG1 ILE 42 6.164 -0.439 8.539 360 HG21 ILE 42 1HG2 ILE 42 4.196 -1.930 8.715 361 HG22 ILE 42 2HG2 ILE 42 5.134 -3.223 9.459 362 HG23 ILE 42 3HG2 ILE 42 4.192 -3.546 8.001 363 HD11 ILE 42 3HD1 ILE 42 8.254 -2.428 9.429 364 HD12 ILE 42 1HD1 ILE 42 6.812 -1.974 10.343 365 HD13 ILE 42 2HD1 ILE 42 8.054 -0.773 9.998 366 H THR 43 H THR 43 5.662 -3.929 5.122 367 HA THR 43 HA THR 43 4.031 -6.216 5.895 368 HB THR 43 HB THR 43 2.840 -5.947 3.806 369 HG1 THR 43 HG1 THR 43 4.276 -3.838 2.763 370 HG21 THR 43 3HG2 THR 43 2.274 -4.249 5.509 371 HG22 THR 43 1HG2 THR 43 2.127 -3.580 3.881 372 HG23 THR 43 2HG2 THR 43 3.529 -3.180 4.874 373 H GLY 44 H GLY 44 6.746 -5.591 3.707 374 HA2 GLY 44 2HA GLY 44 8.269 -7.329 3.004 375 HA3 GLY 44 3HA GLY 44 6.945 -8.485 3.021 376 H LEU 45 H LEU 45 5.251 -6.289 1.700 377 HA LEU 45 HA LEU 45 5.549 -7.159 -1.011 378 HB2 LEU 45 2HB LEU 45 3.846 -4.929 0.183 379 HB3 LEU 45 3HB LEU 45 3.674 -5.572 -1.445 380 HG LEU 45 HG LEU 45 3.167 -7.107 1.138 381 HD11 LEU 45 1HD1 LEU 45 1.424 -5.465 0.659 382 HD12 LEU 45 2HD1 LEU 45 0.817 -7.107 0.466 383 HD13 LEU 45 3HD1 LEU 45 1.203 -6.136 -0.960 384 HD21 LEU 45 3HD2 LEU 45 2.847 -8.069 -1.728 385 HD22 LEU 45 1HD2 LEU 45 2.347 -8.947 -0.278 386 HD23 LEU 45 2HD2 LEU 45 4.054 -8.624 -0.564 387 H THR 46 H THR 46 6.365 -6.059 -2.812 388 HA THR 46 HA THR 46 8.523 -4.179 -2.219 389 HB THR 46 HB THR 46 9.219 -4.607 -4.576 390 HG1 THR 46 HG1 THR 46 7.910 -5.557 -5.963 391 HG21 THR 46 3HG2 THR 46 8.533 -7.153 -3.056 392 HG22 THR 46 1HG2 THR 46 9.988 -6.177 -2.830 393 HG23 THR 46 2HG2 THR 46 9.718 -7.020 -4.356 394 H LYS 47 H LYS 47 9.039 -2.590 -4.142 395 HA LYS 47 HA LYS 47 7.442 -0.337 -3.881 396 HB2 LYS 47 2HB LYS 47 9.835 -0.350 -4.530 397 HB3 LYS 47 3HB LYS 47 9.420 -1.004 -6.106 398 HG2 LYS 47 2HG LYS 47 9.883 1.341 -6.346 399 HG3 LYS 47 3HG LYS 47 8.151 1.105 -6.598 400 HD2 LYS 47 2HD LYS 47 7.663 1.955 -4.369 401 HD3 LYS 47 3HD LYS 47 9.383 2.032 -3.968 402 HE2 LYS 47 2HE LYS 47 7.991 3.688 -6.107 403 HE3 LYS 47 3HE LYS 47 8.460 4.262 -4.504 404 HZ1 LYS 47 3HZ LYS 47 10.061 4.890 -6.213 405 HZ2 LYS 47 1HZ LYS 47 10.333 3.265 -6.585 406 HZ3 LYS 47 2HZ LYS 47 10.773 3.872 -5.068 407 H GLY 48 H GLY 48 7.729 -2.354 -6.848 408 HA2 GLY 48 2HA GLY 48 5.666 -1.103 -8.330 409 HA3 GLY 48 3HA GLY 48 6.349 -2.689 -8.652 410 H GLU 49 H GLU 49 5.612 -3.839 -6.106 411 HA GLU 49 HA GLU 49 3.038 -4.883 -6.593 412 HB2 GLU 49 2HB GLU 49 4.731 -6.070 -5.280 413 HB3 GLU 49 3HB GLU 49 4.742 -4.799 -4.073 414 HG2 GLU 49 2HG GLU 49 3.565 -6.572 -3.095 415 HG3 GLU 49 3HG GLU 49 2.340 -5.401 -3.556 416 H ILE 50 H ILE 50 4.132 -2.437 -4.270 417 HA ILE 50 HA ILE 50 1.604 -1.873 -3.079 418 HB ILE 50 HB ILE 50 4.267 -0.402 -3.104 419 HG12 ILE 50 2HG1 ILE 50 2.902 -2.056 -0.929 420 HG13 ILE 50 3HG1 ILE 50 4.176 -2.647 -1.988 421 HG21 ILE 50 1HG2 ILE 50 3.477 0.980 -1.219 422 HG22 ILE 50 2HG2 ILE 50 1.856 0.307 -1.397 423 HG23 ILE 50 3HG2 ILE 50 2.544 1.296 -2.687 424 HD11 ILE 50 3HD1 ILE 50 4.462 -0.427 0.028 425 HD12 ILE 50 1HD1 ILE 50 5.740 -1.067 -1.010 426 HD13 ILE 50 2HD1 ILE 50 5.005 -2.092 0.221 427 H LYS 51 H LYS 51 3.555 -0.056 -5.488 428 HA LYS 51 HA LYS 51 1.771 1.997 -6.119 429 HB2 LYS 51 2HB LYS 51 3.991 0.640 -7.652 430 HB3 LYS 51 3HB LYS 51 2.972 1.800 -8.496 431 HG2 LYS 51 2HG LYS 51 4.589 2.397 -5.990 432 HG3 LYS 51 3HG LYS 51 5.057 2.819 -7.643 433 HD2 LYS 51 2HD LYS 51 2.949 4.192 -7.825 434 HD3 LYS 51 3HD LYS 51 2.619 3.843 -6.127 435 HE2 LYS 51 2HE LYS 51 4.749 5.000 -5.522 436 HE3 LYS 51 3HE LYS 51 4.986 5.402 -7.226 437 HZ1 LYS 51 3HZ LYS 51 3.979 7.210 -5.961 438 HZ2 LYS 51 1HZ LYS 51 2.657 6.233 -5.581 439 HZ3 LYS 51 2HZ LYS 51 2.954 6.675 -7.188 440 H LYS 52 H LYS 52 1.829 -1.315 -7.319 441 HA LYS 52 HA LYS 52 -0.195 -1.137 -9.291 442 HB2 LYS 52 2HB LYS 52 1.428 -3.011 -9.082 443 HB3 LYS 52 3HB LYS 52 0.687 -3.506 -7.575 444 HG2 LYS 52 2HG LYS 52 -0.894 -3.474 -10.154 445 HG3 LYS 52 3HG LYS 52 0.171 -4.824 -9.769 446 HD2 LYS 52 2HD LYS 52 -2.216 -3.890 -8.112 447 HD3 LYS 52 3HD LYS 52 -2.166 -5.314 -9.153 448 HE2 LYS 52 2HE LYS 52 -0.474 -4.887 -6.662 449 HE3 LYS 52 3HE LYS 52 -1.911 -5.904 -6.773 450 HZ1 LYS 52 3HZ LYS 52 0.607 -6.315 -8.291 451 HZ2 LYS 52 1HZ LYS 52 -0.774 -7.286 -8.387 452 HZ3 LYS 52 2HZ LYS 52 0.117 -7.200 -6.949 453 H TRP 53 H TRP 53 -0.316 -2.014 -5.833 454 HA TRP 53 HA TRP 53 -2.995 -2.776 -5.626 455 HB2 TRP 53 2HB TRP 53 -1.256 -3.241 -3.904 456 HB3 TRP 53 3HB TRP 53 -1.240 -1.539 -3.453 457 HD1 TRP 53 HD1 TRP 53 -3.345 -4.737 -3.059 458 HE1 TRP 53 HE1 TRP 53 -5.102 -4.355 -1.224 459 HE3 TRP 53 HE3 TRP 53 -2.656 0.281 -2.261 460 HZ2 TRP 53 HZ2 TRP 53 -6.084 -2.235 0.345 461 HZ3 TRP 53 HZ3 TRP 53 -4.050 1.410 -0.579 462 HH2 TRP 53 HH2 TRP 53 -5.732 0.175 0.699 463 H PHE 54 H PHE 54 -1.566 0.448 -4.982 464 HA PHE 54 HA PHE 54 -3.916 1.735 -4.081 465 HB2 PHE 54 2HB PHE 54 -1.275 2.778 -5.141 466 HB3 PHE 54 3HB PHE 54 -2.581 3.895 -4.758 467 HD1 PHE 54 HD1 PHE 54 -0.207 1.434 -3.303 468 HD2 PHE 54 HD2 PHE 54 -3.186 4.371 -2.469 469 HE1 PHE 54 HE1 PHE 54 0.403 1.385 -0.920 470 HE2 PHE 54 HE2 PHE 54 -2.556 4.323 -0.101 471 HZ PHE 54 HZ PHE 54 -0.776 2.828 0.681 472 H SER 55 H SER 55 -2.762 1.187 -7.372 473 HA SER 55 HA SER 55 -4.489 2.995 -8.745 474 HB2 SER 55 2HB SER 55 -3.285 0.366 -9.720 475 HB3 SER 55 3HB SER 55 -4.000 1.603 -10.757 476 HG SER 55 HG SER 55 -1.520 1.439 -10.026 477 H ASP 56 H ASP 56 -4.813 -0.485 -7.965 478 HA ASP 56 HA ASP 56 -7.442 -0.806 -9.069 479 HB2 ASP 56 2HB ASP 56 -5.909 -2.547 -7.102 480 HB3 ASP 56 3HB ASP 56 -7.392 -3.031 -7.921 481 H THR 57 H THR 57 -6.244 0.110 -5.893 482 HA THR 57 HA THR 57 -8.710 -0.258 -4.453 483 HB THR 57 HB THR 57 -6.243 1.390 -3.744 484 HG1 THR 57 HG1 THR 57 -5.504 -0.568 -3.467 485 HG21 THR 57 3HG2 THR 57 -8.545 0.515 -1.942 486 HG22 THR 57 1HG2 THR 57 -8.183 2.177 -2.421 487 HG23 THR 57 2HG2 THR 57 -7.051 1.285 -1.407 488 H ARG 58 H ARG 58 -7.127 2.528 -6.021 489 HA ARG 58 HA ARG 58 -9.067 4.498 -5.519 490 HB2 ARG 58 2HB ARG 58 -6.852 4.116 -7.457 491 HB3 ARG 58 3HB ARG 58 -8.167 5.069 -8.128 492 HG2 ARG 58 2HG ARG 58 -6.676 5.699 -5.561 493 HG3 ARG 58 3HG ARG 58 -6.423 6.478 -7.128 494 HD2 ARG 58 2HD ARG 58 -8.847 7.196 -7.060 495 HD3 ARG 58 3HD ARG 58 -8.926 6.587 -5.400 496 HE ARG 58 HE ARG 58 -7.105 8.766 -6.270 497 HH11 ARG 58 1HH1 ARG 58 -9.232 7.452 -3.874 498 HH12 ARG 58 2HH1 ARG 58 -9.143 8.870 -2.888 499 HH21 ARG 58 1HH2 ARG 58 -7.011 10.552 -4.984 500 HH22 ARG 58 2HH2 ARG 58 -7.903 10.580 -3.499 501 H TYR 59 H TYR 59 -8.878 2.107 -8.164 502 HA TYR 59 HA TYR 59 -11.256 2.682 -9.539 503 HB2 TYR 59 2HB TYR 59 -9.630 1.195 -10.520 504 HB3 TYR 59 3HB TYR 59 -9.718 0.085 -9.160 505 HD1 TYR 59 HD2 TYR 59 -11.779 1.454 -11.977 506 HD2 TYR 59 HD1 TYR 59 -11.186 -1.803 -9.270 507 HE1 TYR 59 HE2 TYR 59 -13.482 0.146 -13.175 508 HE2 TYR 59 HE1 TYR 59 -12.888 -3.106 -10.470 509 HH TYR 59 HH TYR 59 -14.828 -2.717 -11.916 510 H ASN 60 H ASN 60 -10.732 0.399 -6.850 511 HA ASN 60 HA ASN 60 -13.352 -0.673 -6.740 512 HB2 ASN 60 2HB ASN 60 -11.316 -1.805 -5.841 513 HB3 ASN 60 3HB ASN 60 -11.201 -0.587 -4.579 514 HD21 ASN 60 1HD2 ASN 60 -11.320 -2.200 -2.981 515 HD22 ASN 60 2HD2 ASN 60 -12.803 -2.998 -2.597 516 H GLN 61 H GLN 61 -11.837 2.077 -5.101 517 HA GLN 61 HA GLN 61 -13.885 2.525 -3.143 518 HB2 GLN 61 2HB GLN 61 -11.262 3.405 -3.490 519 HB3 GLN 61 3HB GLN 61 -12.163 4.862 -3.860 520 HG2 GLN 61 2HG GLN 61 -12.386 3.263 -1.292 521 HG3 GLN 61 3HG GLN 61 -11.427 4.728 -1.499 522 HE21 GLN 61 1HE2 GLN 61 -12.503 6.730 -1.647 523 HE22 GLN 61 2HE2 GLN 61 -14.150 6.919 -1.176 524 H ARG 62 H ARG 62 -13.760 3.171 -6.498 525 HA ARG 62 HA ARG 62 -16.138 4.953 -6.329 526 HB2 ARG 62 2HB ARG 62 -15.359 6.218 -8.271 527 HB3 ARG 62 3HB ARG 62 -14.144 6.278 -6.997 528 HG2 ARG 62 2HG ARG 62 -12.878 4.472 -8.198 529 HG3 ARG 62 3HG ARG 62 -14.057 4.570 -9.509 530 HD2 ARG 62 2HD ARG 62 -12.202 6.793 -8.576 531 HD3 ARG 62 3HD ARG 62 -12.055 5.855 -10.067 532 HE ARG 62 HE ARG 62 -14.519 6.930 -10.309 533 HH11 ARG 62 1HH1 ARG 62 -11.462 8.398 -9.621 534 HH12 ARG 62 2HH1 ARG 62 -11.911 9.894 -10.348 535 HH21 ARG 62 1HH2 ARG 62 -15.053 8.860 -11.233 536 HH22 ARG 62 2HH2 ARG 62 -13.908 10.156 -11.244 537 H ASN 63 H ASN 63 -15.572 1.948 -6.839 538 HA ASN 63 HA ASN 63 -16.879 1.544 -9.450 539 HB2 ASN 63 2HB ASN 63 -14.881 0.142 -8.739 540 HB3 ASN 63 3HB ASN 63 -15.860 -0.542 -7.446 541 HD21 ASN 63 1HD2 ASN 63 -15.566 -2.620 -8.325 542 HD22 ASN 63 2HD2 ASN 63 -16.383 -3.141 -9.754 543 H SER 64 H SER 64 -18.860 0.308 -9.629 544 HA SER 64 HA SER 64 -20.836 1.093 -7.687 545 HB2 SER 64 2HB SER 64 -21.098 -0.491 -10.276 546 HB3 SER 64 3HB SER 64 -22.471 0.026 -9.291 547 HG SER 64 HG SER 64 -22.027 1.502 -10.977 548 H LYS 65 H LYS 65 -18.817 -1.434 -7.383 549 HA LYS 65 HA LYS 65 -20.723 -3.481 -6.541 550 HB2 LYS 65 2HB LYS 65 -17.681 -3.440 -6.498 551 HB3 LYS 65 3HB LYS 65 -18.672 -4.810 -5.999 552 HG2 LYS 65 2HG LYS 65 -19.617 -4.935 -8.308 553 HG3 LYS 65 3HG LYS 65 -18.558 -3.603 -8.784 554 HD2 LYS 65 2HD LYS 65 -17.584 -5.741 -9.472 555 HD3 LYS 65 3HD LYS 65 -16.573 -4.989 -8.235 556 HE2 LYS 65 2HE LYS 65 -17.642 -6.480 -6.523 557 HE3 LYS 65 3HE LYS 65 -18.549 -7.270 -7.816 558 HZ1 LYS 65 3HZ LYS 65 -15.598 -7.196 -7.533 559 HZ2 LYS 65 1HZ LYS 65 -16.435 -7.927 -8.804 560 HZ3 LYS 65 2HZ LYS 65 -16.598 -8.522 -7.226 561 H SER 66 H SER 66 -21.786 -2.585 -4.785 562 HA SER 66 HA SER 66 -20.267 -1.873 -2.354 563 HB2 SER 66 2HB SER 66 -22.439 -0.982 -1.532 564 HB3 SER 66 3HB SER 66 -21.988 -0.270 -3.080 565 HG SER 66 HG SER 66 -24.022 -0.830 -3.451 566 H ASN 67 H ASN 67 -22.582 -4.252 -3.583 567 HA ASN 67 HA ASN 67 -23.199 -5.501 -1.070 568 HB2 ASN 67 2HB ASN 67 -23.553 -6.519 -3.924 569 HB3 ASN 67 3HB ASN 67 -24.236 -7.291 -2.499 570 HD21 ASN 67 1HD2 ASN 67 -26.011 -6.304 -1.465 571 HD22 ASN 67 2HD2 ASN 67 -26.922 -5.041 -2.211 572 H GLN 68 H GLN 68 -21.117 -5.897 -0.123 573 HA GLN 68 HA GLN 68 -19.830 -8.412 -0.759 574 HB2 GLN 68 2HB GLN 68 -18.891 -6.457 -2.348 575 HB3 GLN 68 3HB GLN 68 -17.959 -6.020 -0.928 576 HG2 GLN 68 2HG GLN 68 -17.861 -8.730 -2.303 577 HG3 GLN 68 3HG GLN 68 -16.728 -7.417 -2.596 578 HE21 GLN 68 1HE2 GLN 68 -15.321 -6.789 -0.842 579 HE22 GLN 68 2HE2 GLN 68 -14.886 -7.946 0.362 580 H CYS 69 H CYS 69 -18.537 -9.145 1.010 581 HA CYS 69 HA CYS 69 -17.713 -9.379 3.099 582 HB2 CYS 69 2HB CYS 69 -16.282 -7.422 2.447 583 HB3 CYS 69 3HB CYS 69 -17.476 -6.343 3.161 584 HG CYS 69 HG CYS 69 -17.070 -7.124 5.747 585 H LEU 70 H LEU 70 -20.605 -9.135 2.765 586 HA LEU 70 HA LEU 70 -21.751 -7.914 5.089 587 HB2 LEU 70 2HB LEU 70 -22.743 -10.136 3.258 588 HB3 LEU 70 3HB LEU 70 -23.665 -9.617 4.654 589 HG LEU 70 HG LEU 70 -24.577 -8.607 2.648 590 HD11 LEU 70 1HD1 LEU 70 -24.721 -7.290 4.686 591 HD12 LEU 70 2HD1 LEU 70 -24.572 -6.249 3.273 592 HD13 LEU 70 3HD1 LEU 70 -23.177 -6.513 4.323 593 HD21 LEU 70 3HD2 LEU 70 -22.597 -8.644 1.218 594 HD22 LEU 70 1HD2 LEU 70 -21.866 -7.345 2.163 595 HD23 LEU 70 2HD2 LEU 70 -23.339 -7.045 1.233 596 H HIS 71 H HIS 71 -21.020 -11.352 4.376 597 HA HIS 71 HA HIS 71 -20.669 -11.895 7.267 598 HB2 HIS 71 2HB HIS 71 -22.322 -13.338 6.120 599 HB3 HIS 71 3HB HIS 71 -21.107 -13.840 4.951 600 HD1 HIS 71 HD1 HIS 71 -19.478 -15.676 5.663 601 HD2 HIS 71 HD2 HIS 71 -21.987 -14.470 8.748 602 HE1 HIS 71 HE1 HIS 71 -19.109 -17.327 7.509 603 HE2 HIS 71 HE2 HIS 71 -20.450 -16.441 9.423 604 H LEU 72 H LEU 72 -18.609 -11.887 7.930 605 HA LEU 72 HA LEU 72 -16.403 -12.613 6.079 606 HB2 LEU 72 2HB LEU 72 -14.891 -11.302 7.424 607 HB3 LEU 72 3HB LEU 72 -16.259 -10.295 6.991 608 HG LEU 72 HG LEU 72 -16.052 -11.632 9.727 609 HD11 LEU 72 1HD1 LEU 72 -15.144 -9.549 10.631 610 HD12 LEU 72 2HD1 LEU 72 -15.045 -8.862 9.007 611 HD13 LEU 72 3HD1 LEU 72 -14.051 -10.256 9.442 612 HD21 LEU 72 3HD2 LEU 72 -17.617 -9.179 8.845 613 HD22 LEU 72 1HD2 LEU 72 -17.621 -9.910 10.454 614 HD23 LEU 72 2HD2 LEU 72 -18.293 -10.792 9.085 615 H ASN 73 H ASN 73 -14.372 -13.366 7.598 616 HA ASN 73 HA ASN 73 -15.049 -15.854 8.837 617 HB2 ASN 73 2HB ASN 73 -12.892 -15.500 7.682 618 HB3 ASN 73 3HB ASN 73 -12.451 -14.270 8.857 619 HD21 ASN 73 1HD2 ASN 73 -10.611 -15.318 9.571 620 HD22 ASN 73 2HD2 ASN 73 -10.656 -16.793 10.467 621 H ASN 74 H ASN 74 -16.458 -15.469 10.563 622 HA ASN 74 HA ASN 74 -15.319 -14.852 13.120 623 HB2 ASN 74 2HB ASN 74 -15.863 -12.518 12.072 624 HB3 ASN 74 3HB ASN 74 -17.548 -12.929 12.315 625 HD21 ASN 74 1HD2 ASN 74 -16.763 -14.337 14.964 626 HD22 ASN 74 2HD2 ASN 74 -16.550 -13.016 16.047 Start of MODEL 8 1 H1 SER 1 1H SER 1 18.087 -24.716 9.900 2 H2 SER 1 2H SER 1 16.599 -25.509 10.049 3 H3 SER 1 3H SER 1 16.665 -23.938 9.423 4 HA SER 1 HA SER 1 17.878 -26.341 8.174 5 HB2 SER 1 2HB SER 1 15.350 -24.820 7.396 6 HB3 SER 1 3HB SER 1 16.050 -26.168 6.494 7 HG SER 1 HG SER 1 14.803 -27.322 7.734 8 H HIS 2 H HIS 2 19.223 -25.940 6.452 9 HA HIS 2 HA HIS 2 20.102 -23.213 5.936 10 HB2 HIS 2 2HB HIS 2 21.649 -25.223 6.178 11 HB3 HIS 2 3HB HIS 2 21.059 -25.800 4.627 12 HD1 HIS 2 HD1 HIS 2 22.501 -25.152 2.706 13 HD2 HIS 2 HD2 HIS 2 22.912 -22.494 5.882 14 HE1 HIS 2 HE1 HIS 2 24.356 -23.592 2.044 15 HE2 HIS 2 HE2 HIS 2 24.649 -22.055 4.008 16 H MET 3 H MET 3 18.337 -22.225 4.887 17 HA MET 3 HA MET 3 16.969 -23.417 2.639 18 HB2 MET 3 2HB MET 3 16.753 -20.653 3.883 19 HB3 MET 3 3HB MET 3 15.726 -21.214 2.569 20 HG2 MET 3 2HG MET 3 14.868 -23.014 4.039 21 HG3 MET 3 3HG MET 3 15.867 -22.402 5.355 22 HE1 MET 3 3HE MET 3 12.288 -20.086 3.513 23 HE2 MET 3 1HE MET 3 12.809 -21.683 2.979 24 HE3 MET 3 2HE MET 3 13.816 -20.272 2.653 25 HA PRO 4 HA PRO 4 19.714 -21.378 -0.437 26 HB2 PRO 4 2HB PRO 4 19.193 -22.969 -2.529 27 HB3 PRO 4 3HB PRO 4 20.134 -23.575 -1.155 28 HG2 PRO 4 2HG PRO 4 17.212 -23.999 -1.787 29 HG3 PRO 4 3HG PRO 4 18.420 -25.185 -1.248 30 HD2 PRO 4 2HD PRO 4 16.608 -23.915 0.444 31 HD3 PRO 4 3HD PRO 4 18.153 -24.613 0.978 32 H ASP 5 H ASP 5 16.445 -21.181 0.019 33 HA ASP 5 HA ASP 5 15.606 -20.214 -2.601 34 HB2 ASP 5 2HB ASP 5 14.011 -20.428 -0.007 35 HB3 ASP 5 3HB ASP 5 13.356 -20.180 -1.622 36 H SER 6 H SER 6 16.672 -18.236 -2.888 37 HA SER 6 HA SER 6 15.442 -15.975 -1.405 38 HB2 SER 6 2HB SER 6 18.301 -16.003 -2.483 39 HB3 SER 6 3HB SER 6 17.506 -14.653 -1.678 40 HG SER 6 HG SER 6 18.240 -17.153 -0.563 41 H PHE 7 H PHE 7 13.844 -15.814 -2.947 42 HA PHE 7 HA PHE 7 14.642 -15.001 -5.687 43 HB2 PHE 7 2HB PHE 7 12.516 -16.051 -6.505 44 HB3 PHE 7 3HB PHE 7 13.658 -17.210 -5.846 45 HD1 PHE 7 HD2 PHE 7 13.225 -18.153 -3.492 46 HD2 PHE 7 HD1 PHE 7 10.273 -15.923 -5.646 47 HE1 PHE 7 HE2 PHE 7 11.462 -19.069 -2.038 48 HE2 PHE 7 HE1 PHE 7 8.519 -16.844 -4.183 49 HZ PHE 7 HZ PHE 7 9.111 -18.417 -2.380 50 H GLY 8 H GLY 8 11.959 -14.733 -3.289 51 HA2 GLY 8 2HA GLY 8 10.485 -13.054 -2.782 52 HA3 GLY 8 3HA GLY 8 11.751 -11.941 -3.264 53 H ILE 9 H ILE 9 10.350 -14.209 -5.554 54 HA ILE 9 HA ILE 9 9.694 -12.094 -7.390 55 HB ILE 9 HB ILE 9 9.187 -15.095 -7.635 56 HG12 ILE 9 2HG1 ILE 9 11.493 -13.426 -8.759 57 HG13 ILE 9 3HG1 ILE 9 11.612 -14.504 -7.373 58 HG21 ILE 9 1HG2 ILE 9 9.137 -12.961 -9.816 59 HG22 ILE 9 2HG2 ILE 9 7.740 -13.837 -9.185 60 HG23 ILE 9 3HG2 ILE 9 8.988 -14.703 -10.078 61 HD11 ILE 9 3HD1 ILE 9 11.125 -16.419 -8.833 62 HD12 ILE 9 1HD1 ILE 9 12.545 -15.519 -9.360 63 HD13 ILE 9 2HD1 ILE 9 11.018 -15.328 -10.218 64 H ARG 10 H ARG 10 8.040 -10.889 -6.517 65 HA ARG 10 HA ARG 10 5.937 -10.098 -6.479 66 HB2 ARG 10 2HB ARG 10 5.878 -11.267 -8.711 67 HB3 ARG 10 3HB ARG 10 5.137 -12.653 -7.920 68 HG2 ARG 10 2HG ARG 10 3.160 -11.324 -7.367 69 HG3 ARG 10 3HG ARG 10 3.925 -9.869 -8.017 70 HD2 ARG 10 2HD ARG 10 4.007 -10.952 -10.263 71 HD3 ARG 10 3HD ARG 10 3.164 -12.350 -9.598 72 HE ARG 10 HE ARG 10 1.228 -10.942 -9.236 73 HH11 ARG 10 1HH1 ARG 10 3.643 -9.550 -11.315 74 HH12 ARG 10 2HH1 ARG 10 2.504 -8.515 -12.099 75 HH21 ARG 10 1HH2 ARG 10 -0.181 -9.593 -10.265 76 HH22 ARG 10 2HH2 ARG 10 0.384 -8.528 -11.500 77 H ALA 11 H ALA 11 5.643 -10.089 -4.264 78 HA ALA 11 HA ALA 11 4.736 -12.454 -2.807 79 HB1 ALA 11 3HB ALA 11 5.304 -9.627 -1.828 80 HB2 ALA 11 1HB ALA 11 6.434 -10.983 -1.804 81 HB3 ALA 11 2HB ALA 11 4.982 -11.030 -0.803 82 H LYS 12 H LYS 12 2.575 -12.949 -3.043 83 HA LYS 12 HA LYS 12 0.468 -11.144 -3.560 84 HB2 LYS 12 2HB LYS 12 0.380 -13.669 -3.863 85 HB3 LYS 12 3HB LYS 12 0.196 -13.827 -2.118 86 HG2 LYS 12 2HG LYS 12 -1.920 -12.558 -2.218 87 HG3 LYS 12 3HG LYS 12 -1.721 -12.349 -3.954 88 HD2 LYS 12 2HD LYS 12 -3.264 -14.108 -3.816 89 HD3 LYS 12 3HD LYS 12 -1.741 -14.952 -4.078 90 HE2 LYS 12 2HE LYS 12 -3.087 -14.575 -1.379 91 HE3 LYS 12 3HE LYS 12 -3.186 -16.032 -2.362 92 HZ1 LYS 12 3HZ LYS 12 -1.561 -16.291 -0.644 93 HZ2 LYS 12 1HZ LYS 12 -0.737 -14.898 -1.130 94 HZ3 LYS 12 2HZ LYS 12 -0.770 -16.256 -2.135 95 H LYS 13 H LYS 13 -0.787 -9.858 -2.249 96 HA LYS 13 HA LYS 13 0.320 -9.072 0.258 97 HB2 LYS 13 2HB LYS 13 -2.125 -8.173 -1.301 98 HB3 LYS 13 3HB LYS 13 -1.745 -7.495 0.273 99 HG2 LYS 13 2HG LYS 13 -0.319 -6.026 -0.661 100 HG3 LYS 13 3HG LYS 13 0.652 -7.332 -1.313 101 HD2 LYS 13 2HD LYS 13 -1.786 -6.186 -2.730 102 HD3 LYS 13 3HD LYS 13 -0.139 -5.604 -2.991 103 HE2 LYS 13 2HE LYS 13 -1.108 -8.437 -3.502 104 HE3 LYS 13 3HE LYS 13 -0.848 -7.205 -4.737 105 HZ1 LYS 13 3HZ LYS 13 1.033 -8.668 -4.665 106 HZ2 LYS 13 1HZ LYS 13 1.231 -8.446 -3.000 107 HZ3 LYS 13 2HZ LYS 13 1.521 -7.171 -4.068 108 H THR 14 H THR 14 0.116 -10.277 2.018 109 HA THR 14 HA THR 14 -2.069 -12.069 2.574 110 HB THR 14 HB THR 14 -0.839 -12.698 4.580 111 HG1 THR 14 HG1 THR 14 0.743 -11.452 5.437 112 HG21 THR 14 3HG2 THR 14 0.136 -13.582 2.477 113 HG22 THR 14 1HG2 THR 14 1.389 -13.276 3.681 114 HG23 THR 14 2HG2 THR 14 1.155 -12.147 2.347 115 H LYS 15 H LYS 15 -2.561 -11.939 5.246 116 HA LYS 15 HA LYS 15 -4.820 -10.314 5.247 117 HB2 LYS 15 2HB LYS 15 -4.407 -12.448 6.558 118 HB3 LYS 15 3HB LYS 15 -3.474 -11.502 7.706 119 HG2 LYS 15 2HG LYS 15 -5.729 -11.947 8.540 120 HG3 LYS 15 3HG LYS 15 -5.489 -10.209 8.308 121 HD2 LYS 15 2HD LYS 15 -6.807 -10.219 6.286 122 HD3 LYS 15 3HD LYS 15 -6.841 -11.984 6.235 123 HE2 LYS 15 2HE LYS 15 -8.990 -11.024 6.996 124 HE3 LYS 15 3HE LYS 15 -8.256 -12.047 8.226 125 HZ1 LYS 15 3HZ LYS 15 -7.531 -10.120 9.409 126 HZ2 LYS 15 1HZ LYS 15 -9.184 -9.961 9.094 127 HZ3 LYS 15 2HZ LYS 15 -8.065 -9.088 8.179 128 H GLU 16 H GLU 16 -1.930 -9.874 7.385 129 HA GLU 16 HA GLU 16 -2.908 -7.295 8.324 130 HB2 GLU 16 2HB GLU 16 -1.014 -7.213 9.823 131 HB3 GLU 16 3HB GLU 16 -1.710 -8.822 9.878 132 HG2 GLU 16 2HG GLU 16 0.747 -8.168 8.220 133 HG3 GLU 16 3HG GLU 16 0.848 -8.643 9.913 134 H GLN 17 H GLN 17 -0.641 -8.369 5.916 135 HA GLN 17 HA GLN 17 0.827 -5.959 5.506 136 HB2 GLN 17 2HB GLN 17 0.206 -8.245 3.581 137 HB3 GLN 17 3HB GLN 17 1.387 -6.970 3.272 138 HG2 GLN 17 2HG GLN 17 2.679 -7.701 5.258 139 HG3 GLN 17 3HG GLN 17 1.511 -8.992 5.531 140 HE21 GLN 17 1HE2 GLN 17 2.701 -8.046 2.330 141 HE22 GLN 17 2HE2 GLN 17 3.582 -9.495 2.040 142 H LEU 18 H LEU 18 -2.019 -7.297 3.866 143 HA LEU 18 HA LEU 18 -2.613 -5.164 2.116 144 HB2 LEU 18 2HB LEU 18 -3.463 -7.666 2.293 145 HB3 LEU 18 3HB LEU 18 -4.717 -6.993 3.309 146 HG LEU 18 HG LEU 18 -4.235 -6.223 0.395 147 HD11 LEU 18 1HD1 LEU 18 -6.347 -8.080 1.551 148 HD12 LEU 18 2HD1 LEU 18 -4.943 -8.570 0.598 149 HD13 LEU 18 3HD1 LEU 18 -6.202 -7.582 -0.140 150 HD21 LEU 18 3HD2 LEU 18 -6.453 -5.176 0.490 151 HD22 LEU 18 1HD2 LEU 18 -5.350 -4.428 1.642 152 HD23 LEU 18 2HD2 LEU 18 -6.579 -5.560 2.210 153 H ALA 19 H ALA 19 -3.548 -5.838 5.469 154 HA ALA 19 HA ALA 19 -5.430 -3.764 5.873 155 HB1 ALA 19 3HB ALA 19 -3.651 -5.118 7.924 156 HB2 ALA 19 1HB ALA 19 -5.223 -5.703 7.370 157 HB3 ALA 19 2HB ALA 19 -5.114 -4.189 8.268 158 H GLU 20 H GLU 20 -1.880 -3.793 6.285 159 HA GLU 20 HA GLU 20 -1.650 -1.139 7.333 160 HB2 GLU 20 2HB GLU 20 0.343 -3.025 6.046 161 HB3 GLU 20 3HB GLU 20 0.807 -1.391 6.515 162 HG2 GLU 20 2HG GLU 20 -0.288 -3.517 8.388 163 HG3 GLU 20 3HG GLU 20 1.410 -3.079 8.210 164 H LEU 21 H LEU 21 -1.687 -2.427 4.044 165 HA LEU 21 HA LEU 21 -1.067 -0.010 2.667 166 HB2 LEU 21 2HB LEU 21 -2.688 -2.423 1.782 167 HB3 LEU 21 3HB LEU 21 -2.175 -1.130 0.706 168 HG LEU 21 HG LEU 21 -0.318 -3.034 2.197 169 HD11 LEU 21 1HD1 LEU 21 0.192 -3.961 -0.025 170 HD12 LEU 21 2HD1 LEU 21 -1.032 -2.916 -0.749 171 HD13 LEU 21 3HD1 LEU 21 -1.505 -4.170 0.399 172 HD21 LEU 21 3HD2 LEU 21 0.733 -0.836 1.922 173 HD22 LEU 21 1HD2 LEU 21 0.368 -0.853 0.195 174 HD23 LEU 21 2HD2 LEU 21 1.501 -2.025 0.874 175 H LYS 22 H LYS 22 -4.098 -1.341 3.958 176 HA LYS 22 HA LYS 22 -5.927 0.548 2.882 177 HB2 LYS 22 2HB LYS 22 -6.062 -0.992 5.508 178 HB3 LYS 22 3HB LYS 22 -7.411 -0.087 4.822 179 HG2 LYS 22 2HG LYS 22 -7.495 -1.597 2.904 180 HG3 LYS 22 3HG LYS 22 -6.066 -2.461 3.487 181 HD2 LYS 22 2HD LYS 22 -7.312 -3.151 5.516 182 HD3 LYS 22 3HD LYS 22 -8.741 -2.289 4.939 183 HE2 LYS 22 2HE LYS 22 -8.910 -3.808 3.024 184 HE3 LYS 22 3HE LYS 22 -7.427 -4.629 3.513 185 HZ1 LYS 22 3HZ LYS 22 -9.944 -4.538 5.081 186 HZ2 LYS 22 1HZ LYS 22 -8.525 -5.339 5.533 187 HZ3 LYS 22 2HZ LYS 22 -9.392 -5.852 4.174 188 H VAL 23 H VAL 23 -4.272 0.490 6.064 189 HA VAL 23 HA VAL 23 -5.126 2.987 7.058 190 HB VAL 23 HB VAL 23 -2.495 1.536 7.641 191 HG11 VAL 23 1HG1 VAL 23 -2.379 3.868 8.424 192 HG12 VAL 23 2HG1 VAL 23 -2.495 2.779 9.807 193 HG13 VAL 23 3HG1 VAL 23 -3.914 3.686 9.275 194 HG21 VAL 23 3HG2 VAL 23 -5.178 1.348 9.078 195 HG22 VAL 23 1HG2 VAL 23 -3.678 0.578 9.610 196 HG23 VAL 23 2HG2 VAL 23 -4.432 0.088 8.094 197 H SER 24 H SER 24 -2.387 2.130 4.984 198 HA SER 24 HA SER 24 -1.195 4.720 4.846 199 HB2 SER 24 2HB SER 24 0.052 2.646 4.240 200 HB3 SER 24 3HB SER 24 -0.966 2.466 2.810 201 HG SER 24 HG SER 24 0.208 3.922 1.836 202 H TYR 25 H TYR 25 -3.660 3.076 2.885 203 HA TYR 25 HA TYR 25 -3.846 4.872 0.711 204 HB2 TYR 25 2HB TYR 25 -4.827 2.598 0.666 205 HB3 TYR 25 3HB TYR 25 -5.986 3.046 1.908 206 HD1 TYR 25 HD1 TYR 25 -4.986 3.758 -1.630 207 HD2 TYR 25 HD2 TYR 25 -8.099 4.040 1.280 208 HE1 TYR 25 HE1 TYR 25 -6.552 4.455 -3.376 209 HE2 TYR 25 HE2 TYR 25 -9.673 4.741 -0.474 210 HH TYR 25 HH TYR 25 -9.623 5.767 -2.695 211 H LEU 26 H LEU 26 -5.581 4.750 3.801 212 HA LEU 26 HA LEU 26 -7.497 6.754 3.405 213 HB2 LEU 26 2HB LEU 26 -6.155 5.865 5.985 214 HB3 LEU 26 3HB LEU 26 -7.609 6.849 5.909 215 HG LEU 26 HG LEU 26 -7.382 3.985 4.891 216 HD11 LEU 26 1HD1 LEU 26 -8.810 3.379 6.798 217 HD12 LEU 26 2HD1 LEU 26 -8.725 5.038 7.398 218 HD13 LEU 26 3HD1 LEU 26 -7.266 4.048 7.322 219 HD21 LEU 26 3HD2 LEU 26 -9.840 4.085 4.638 220 HD22 LEU 26 1HD2 LEU 26 -9.025 5.243 3.588 221 HD23 LEU 26 2HD2 LEU 26 -9.816 5.797 5.065 222 H LYS 27 H LYS 27 -4.217 7.055 4.851 223 HA LYS 27 HA LYS 27 -4.436 9.931 5.180 224 HB2 LYS 27 2HB LYS 27 -2.060 9.820 5.927 225 HB3 LYS 27 3HB LYS 27 -3.114 8.723 6.810 226 HG2 LYS 27 2HG LYS 27 -2.255 6.808 5.634 227 HG3 LYS 27 3HG LYS 27 -1.362 7.825 4.499 228 HD2 LYS 27 2HD LYS 27 0.125 8.579 6.297 229 HD3 LYS 27 3HD LYS 27 -0.804 7.664 7.490 230 HE2 LYS 27 2HE LYS 27 1.302 6.522 6.816 231 HE3 LYS 27 3HE LYS 27 -0.132 5.563 6.462 232 HZ1 LYS 27 3HZ LYS 27 0.032 6.171 4.155 233 HZ2 LYS 27 1HZ LYS 27 1.516 5.544 4.663 234 HZ3 LYS 27 2HZ LYS 27 1.324 7.211 4.459 235 H ASN 28 H ASN 28 -2.975 7.766 2.785 236 HA ASN 28 HA ASN 28 -2.564 9.845 0.853 237 HB2 ASN 28 2HB ASN 28 -0.610 10.245 2.376 238 HB3 ASN 28 3HB ASN 28 -0.052 8.603 2.066 239 HD21 ASN 28 1HD2 ASN 28 1.887 9.238 1.131 240 HD22 ASN 28 2HD2 ASN 28 1.974 10.040 -0.400 241 H GLN 29 H GLN 29 -3.569 8.603 -0.664 242 HA GLN 29 HA GLN 29 -2.770 5.878 -1.287 243 HB2 GLN 29 2HB GLN 29 -4.377 6.255 -3.292 244 HB3 GLN 29 3HB GLN 29 -5.046 6.198 -1.672 245 HG2 GLN 29 2HG GLN 29 -5.324 8.562 -1.603 246 HG3 GLN 29 3HG GLN 29 -4.440 8.774 -3.110 247 HE21 GLN 29 1HE2 GLN 29 -7.455 7.737 -1.679 248 HE22 GLN 29 2HE2 GLN 29 -8.376 7.748 -3.137 249 H PHE 30 H PHE 30 -1.357 8.824 -2.002 250 HA PHE 30 HA PHE 30 0.119 7.640 -4.292 251 HB2 PHE 30 2HB PHE 30 -0.716 10.555 -3.967 252 HB3 PHE 30 3HB PHE 30 0.427 9.988 -5.177 253 HD1 PHE 30 HD2 PHE 30 -0.352 8.478 -7.023 254 HD2 PHE 30 HD1 PHE 30 -3.109 10.299 -4.304 255 HE1 PHE 30 HE2 PHE 30 -2.194 8.052 -8.597 256 HE2 PHE 30 HE1 PHE 30 -4.941 9.866 -5.887 257 HZ PHE 30 HZ PHE 30 -4.485 8.748 -8.032 258 HA PRO 31 HA PRO 31 3.322 8.802 -1.104 259 HB2 PRO 31 2HB PRO 31 4.455 6.360 -0.744 260 HB3 PRO 31 3HB PRO 31 3.002 6.858 0.132 261 HG2 PRO 31 2HG PRO 31 3.253 5.069 -2.272 262 HG3 PRO 31 3HG PRO 31 2.201 4.899 -0.852 263 HD2 PRO 31 2HD PRO 31 1.382 5.931 -3.306 264 HD3 PRO 31 3HD PRO 31 0.567 6.253 -1.761 265 H HIS 32 H HIS 32 5.542 9.113 -1.530 266 HA HIS 32 HA HIS 32 6.182 9.279 -4.352 267 HB2 HIS 32 2HB HIS 32 7.907 10.111 -1.982 268 HB3 HIS 32 3HB HIS 32 8.069 10.648 -3.653 269 HD2 HIS 32 HD2 HIS 32 6.958 13.078 -4.027 270 HE1 HIS 32 HE1 HIS 32 4.158 12.909 -0.857 271 HE2 HIS 32 HE2 HIS 32 4.982 14.258 -2.832 272 H ASP 33 H ASP 33 8.270 8.168 -1.626 273 HA ASP 33 HA ASP 33 9.048 5.724 -3.000 274 HB2 ASP 33 2HB ASP 33 10.455 7.709 -3.969 275 HB3 ASP 33 3HB ASP 33 11.276 7.731 -2.414 276 H SER 34 H SER 34 10.097 8.006 -0.429 277 HA SER 34 HA SER 34 11.281 6.173 1.336 278 HB2 SER 34 2HB SER 34 9.920 8.812 2.024 279 HB3 SER 34 3HB SER 34 11.079 7.960 3.050 280 HG SER 34 HG SER 34 12.673 8.660 1.837 281 H GLU 35 H GLU 35 7.946 7.448 1.353 282 HA GLU 35 HA GLU 35 6.985 6.095 3.649 283 HB2 GLU 35 2HB GLU 35 5.926 8.093 2.507 284 HB3 GLU 35 3HB GLU 35 5.372 7.019 1.229 285 HG2 GLU 35 2HG GLU 35 4.015 5.775 2.896 286 HG3 GLU 35 3HG GLU 35 4.551 6.885 4.153 287 H ILE 36 H ILE 36 7.291 5.098 0.283 288 HA ILE 36 HA ILE 36 5.652 2.741 0.447 289 HB ILE 36 HB ILE 36 7.883 3.209 -1.581 290 HG12 ILE 36 2HG1 ILE 36 4.985 4.172 -1.714 291 HG13 ILE 36 3HG1 ILE 36 6.401 5.202 -1.540 292 HG21 ILE 36 1HG2 ILE 36 6.503 1.756 -3.033 293 HG22 ILE 36 2HG2 ILE 36 5.315 1.576 -1.742 294 HG23 ILE 36 3HG2 ILE 36 6.943 0.925 -1.541 295 HD11 ILE 36 3HD1 ILE 36 5.581 5.275 -3.792 296 HD12 ILE 36 1HD1 ILE 36 5.684 3.520 -3.937 297 HD13 ILE 36 2HD1 ILE 36 7.155 4.482 -3.773 298 H ILE 37 H ILE 37 9.176 3.349 0.679 299 HA ILE 37 HA ILE 37 9.994 0.643 1.015 300 HB ILE 37 HB ILE 37 11.404 3.197 1.896 301 HG12 ILE 37 2HG1 ILE 37 11.713 1.513 -0.634 302 HG13 ILE 37 3HG1 ILE 37 10.993 3.117 -0.543 303 HG21 ILE 37 1HG2 ILE 37 13.495 1.864 1.961 304 HG22 ILE 37 2HG2 ILE 37 12.573 0.396 1.625 305 HG23 ILE 37 3HG2 ILE 37 12.318 1.273 3.135 306 HD11 ILE 37 3HD1 ILE 37 13.207 3.240 -1.469 307 HD12 ILE 37 1HD1 ILE 37 13.890 2.413 -0.070 308 HD13 ILE 37 2HD1 ILE 37 13.199 4.028 0.108 309 H ARG 38 H ARG 38 9.048 3.155 3.339 310 HA ARG 38 HA ARG 38 9.290 1.853 5.786 311 HB2 ARG 38 2HB ARG 38 8.522 4.138 5.722 312 HB3 ARG 38 3HB ARG 38 7.152 3.729 4.706 313 HG2 ARG 38 2HG ARG 38 6.385 4.243 6.946 314 HG3 ARG 38 3HG ARG 38 6.090 2.541 6.597 315 HD2 ARG 38 2HD ARG 38 8.023 1.895 7.961 316 HD3 ARG 38 3HD ARG 38 8.425 3.596 8.238 317 HE ARG 38 HE ARG 38 5.757 3.001 9.072 318 HH11 ARG 38 1HH1 ARG 38 9.039 2.685 10.139 319 HH12 ARG 38 2HH1 ARG 38 8.590 2.661 11.804 320 HH21 ARG 38 1HH2 ARG 38 5.229 2.980 11.198 321 HH22 ARG 38 2HH2 ARG 38 6.463 2.825 12.397 322 H LEU 39 H LEU 39 6.434 1.744 3.595 323 HA LEU 39 HA LEU 39 4.977 -0.308 4.811 324 HB2 LEU 39 2HB LEU 39 5.139 0.575 1.915 325 HB3 LEU 39 3HB LEU 39 4.011 -0.666 2.443 326 HG LEU 39 HG LEU 39 4.026 2.164 3.570 327 HD11 LEU 39 1HD1 LEU 39 3.507 2.256 1.178 328 HD12 LEU 39 2HD1 LEU 39 2.078 2.611 2.144 329 HD13 LEU 39 3HD1 LEU 39 2.254 1.027 1.383 330 HD21 LEU 39 3HD2 LEU 39 1.968 -0.071 3.774 331 HD22 LEU 39 1HD2 LEU 39 1.787 1.561 4.426 332 HD23 LEU 39 2HD2 LEU 39 3.026 0.490 5.072 333 H MET 40 H MET 40 7.571 -0.597 2.359 334 HA MET 40 HA MET 40 7.310 -3.339 1.751 335 HB2 MET 40 2HB MET 40 9.758 -1.538 1.607 336 HB3 MET 40 3HB MET 40 9.709 -3.166 0.942 337 HG2 MET 40 2HG MET 40 7.972 -2.492 -0.640 338 HG3 MET 40 3HG MET 40 7.934 -0.877 0.062 339 HE1 MET 40 3HE MET 40 11.560 -2.569 -2.260 340 HE2 MET 40 1HE MET 40 10.075 -3.475 -1.972 341 HE3 MET 40 2HE MET 40 11.152 -3.093 -0.626 342 H LYS 41 H LYS 41 9.172 -1.711 4.302 343 HA LYS 41 HA LYS 41 10.397 -4.188 5.249 344 HB2 LYS 41 2HB LYS 41 10.549 -1.351 6.342 345 HB3 LYS 41 3HB LYS 41 11.494 -2.715 6.941 346 HG2 LYS 41 2HG LYS 41 12.592 -2.933 4.737 347 HG3 LYS 41 3HG LYS 41 11.641 -1.578 4.122 348 HD2 LYS 41 2HD LYS 41 13.673 -1.441 6.390 349 HD3 LYS 41 3HD LYS 41 13.953 -0.912 4.730 350 HE2 LYS 41 2HE LYS 41 12.119 0.778 5.013 351 HE3 LYS 41 3HE LYS 41 11.973 0.287 6.704 352 HZ1 LYS 41 3HZ LYS 41 14.404 1.424 5.439 353 HZ2 LYS 41 1HZ LYS 41 14.253 0.970 7.062 354 HZ3 LYS 41 2HZ LYS 41 13.334 2.248 6.458 355 H ILE 42 H ILE 42 7.555 -2.322 6.043 356 HA ILE 42 HA ILE 42 7.048 -3.581 8.610 357 HB ILE 42 HB ILE 42 5.237 -1.993 6.728 358 HG12 ILE 42 2HG1 ILE 42 6.991 -0.632 7.805 359 HG13 ILE 42 3HG1 ILE 42 5.413 -0.192 8.438 360 HG21 ILE 42 1HG2 ILE 42 3.554 -1.885 8.554 361 HG22 ILE 42 2HG2 ILE 42 4.513 -3.030 9.495 362 HG23 ILE 42 3HG2 ILE 42 3.794 -3.531 7.964 363 HD11 ILE 42 3HD1 ILE 42 7.486 -1.899 9.815 364 HD12 ILE 42 1HD1 ILE 42 5.880 -1.529 10.453 365 HD13 ILE 42 2HD1 ILE 42 7.047 -0.235 10.199 366 H THR 43 H THR 43 6.025 -4.098 5.267 367 HA THR 43 HA THR 43 4.164 -6.249 5.983 368 HB THR 43 HB THR 43 3.322 -6.054 3.677 369 HG1 THR 43 HG1 THR 43 4.681 -3.808 2.924 370 HG21 THR 43 3HG2 THR 43 3.628 -3.308 4.962 371 HG22 THR 43 1HG2 THR 43 2.373 -4.491 5.347 372 HG23 THR 43 2HG2 THR 43 2.425 -3.749 3.748 373 H GLY 44 H GLY 44 6.846 -5.704 3.651 374 HA2 GLY 44 2HA GLY 44 8.515 -7.403 3.169 375 HA3 GLY 44 3HA GLY 44 7.302 -8.643 3.455 376 H LEU 45 H LEU 45 6.454 -5.795 1.666 377 HA LEU 45 HA LEU 45 6.055 -7.343 -0.820 378 HB2 LEU 45 2HB LEU 45 4.980 -4.634 0.071 379 HB3 LEU 45 3HB LEU 45 4.576 -5.422 -1.450 380 HG LEU 45 HG LEU 45 3.935 -6.609 1.282 381 HD11 LEU 45 1HD1 LEU 45 1.614 -5.900 0.907 382 HD12 LEU 45 2HD1 LEU 45 2.099 -5.043 -0.559 383 HD13 LEU 45 3HD1 LEU 45 2.702 -4.518 1.017 384 HD21 LEU 45 3HD2 LEU 45 2.952 -7.373 -1.492 385 HD22 LEU 45 1HD2 LEU 45 2.435 -8.105 0.031 386 HD23 LEU 45 2HD2 LEU 45 4.102 -8.285 -0.509 387 H THR 46 H THR 46 6.241 -5.925 -2.884 388 HA THR 46 HA THR 46 8.802 -4.430 -2.894 389 HB THR 46 HB THR 46 8.876 -4.744 -5.312 390 HG1 THR 46 HG1 THR 46 6.494 -6.270 -5.273 391 HG21 THR 46 3HG2 THR 46 8.074 -7.357 -3.981 392 HG22 THR 46 1HG2 THR 46 9.697 -6.655 -3.987 393 HG23 THR 46 2HG2 THR 46 8.965 -7.203 -5.496 394 H LYS 47 H LYS 47 8.952 -2.432 -4.089 395 HA LYS 47 HA LYS 47 7.008 -0.513 -3.464 396 HB2 LYS 47 2HB LYS 47 9.365 0.032 -3.724 397 HB3 LYS 47 3HB LYS 47 9.335 -0.422 -5.420 398 HG2 LYS 47 2HG LYS 47 8.111 1.524 -6.039 399 HG3 LYS 47 3HG LYS 47 7.653 1.870 -4.373 400 HD2 LYS 47 2HD LYS 47 9.396 3.432 -5.187 401 HD3 LYS 47 3HD LYS 47 9.963 2.480 -3.814 402 HE2 LYS 47 2HE LYS 47 11.188 0.984 -5.384 403 HE3 LYS 47 3HE LYS 47 10.631 1.969 -6.739 404 HZ1 LYS 47 3HZ LYS 47 12.880 2.530 -6.046 405 HZ2 LYS 47 1HZ LYS 47 12.327 2.934 -4.498 406 HZ3 LYS 47 2HZ LYS 47 11.835 3.841 -5.836 407 H GLY 48 H GLY 48 7.459 -2.365 -6.427 408 HA2 GLY 48 2HA GLY 48 5.705 -0.968 -8.153 409 HA3 GLY 48 3HA GLY 48 6.185 -2.648 -8.305 410 H GLU 49 H GLU 49 5.107 -3.904 -6.176 411 HA GLU 49 HA GLU 49 2.411 -4.324 -6.935 412 HB2 GLU 49 2HB GLU 49 3.846 -5.221 -4.398 413 HB3 GLU 49 3HB GLU 49 2.281 -5.836 -4.936 414 HG2 GLU 49 2HG GLU 49 3.334 -6.747 -6.962 415 HG3 GLU 49 3HG GLU 49 4.898 -6.122 -6.441 416 H ILE 50 H ILE 50 3.810 -2.413 -4.346 417 HA ILE 50 HA ILE 50 1.421 -1.889 -2.886 418 HB ILE 50 HB ILE 50 4.092 -0.423 -3.003 419 HG12 ILE 50 2HG1 ILE 50 2.929 -2.339 -0.915 420 HG13 ILE 50 3HG1 ILE 50 4.137 -2.768 -2.120 421 HG21 ILE 50 1HG2 ILE 50 1.824 0.049 -1.030 422 HG22 ILE 50 2HG2 ILE 50 2.401 1.186 -2.250 423 HG23 ILE 50 3HG2 ILE 50 3.449 0.731 -0.908 424 HD11 ILE 50 3HD1 ILE 50 5.719 -1.214 -1.068 425 HD12 ILE 50 1HD1 ILE 50 5.143 -2.450 0.050 426 HD13 ILE 50 2HD1 ILE 50 4.502 -0.811 0.146 427 H LYS 51 H LYS 51 3.138 0.044 -5.408 428 HA LYS 51 HA LYS 51 1.263 2.169 -5.582 429 HB2 LYS 51 2HB LYS 51 3.133 1.043 -7.703 430 HB3 LYS 51 3HB LYS 51 2.197 2.522 -7.915 431 HG2 LYS 51 2HG LYS 51 3.406 3.496 -5.941 432 HG3 LYS 51 3HG LYS 51 4.416 2.041 -5.897 433 HD2 LYS 51 2HD LYS 51 5.189 2.516 -8.209 434 HD3 LYS 51 3HD LYS 51 4.182 3.967 -8.254 435 HE2 LYS 51 2HE LYS 51 5.518 4.903 -6.366 436 HE3 LYS 51 3HE LYS 51 6.549 3.470 -6.414 437 HZ1 LYS 51 3HZ LYS 51 7.201 4.055 -8.653 438 HZ2 LYS 51 1HZ LYS 51 7.511 5.337 -7.599 439 HZ3 LYS 51 2HZ LYS 51 6.182 5.400 -8.639 440 H LYS 52 H LYS 52 1.414 -0.945 -7.295 441 HA LYS 52 HA LYS 52 -0.784 -0.558 -9.058 442 HB2 LYS 52 2HB LYS 52 0.445 -3.123 -7.971 443 HB3 LYS 52 3HB LYS 52 -0.751 -3.076 -9.269 444 HG2 LYS 52 2HG LYS 52 0.783 -1.854 -10.708 445 HG3 LYS 52 3HG LYS 52 1.964 -1.719 -9.398 446 HD2 LYS 52 2HD LYS 52 2.210 -4.193 -9.387 447 HD3 LYS 52 3HD LYS 52 1.053 -4.309 -10.718 448 HE2 LYS 52 2HE LYS 52 2.597 -3.023 -12.166 449 HE3 LYS 52 3HE LYS 52 3.746 -2.893 -10.830 450 HZ1 LYS 52 3HZ LYS 52 2.850 -5.413 -12.117 451 HZ2 LYS 52 1HZ LYS 52 3.937 -5.304 -10.824 452 HZ3 LYS 52 2HZ LYS 52 4.351 -4.665 -12.331 453 H TRP 53 H TRP 53 -0.580 -1.734 -5.731 454 HA TRP 53 HA TRP 53 -3.227 -2.705 -5.429 455 HB2 TRP 53 2HB TRP 53 -1.370 -3.166 -3.794 456 HB3 TRP 53 3HB TRP 53 -1.432 -1.488 -3.268 457 HD1 TRP 53 HD1 TRP 53 -3.262 -4.821 -2.892 458 HE1 TRP 53 HE1 TRP 53 -5.030 -4.616 -1.048 459 HE3 TRP 53 HE3 TRP 53 -3.066 0.233 -2.090 460 HZ2 TRP 53 HZ2 TRP 53 -6.213 -2.606 0.532 461 HZ3 TRP 53 HZ3 TRP 53 -4.561 1.216 -0.405 462 HH2 TRP 53 HH2 TRP 53 -6.104 -0.174 0.883 463 H PHE 54 H PHE 54 -1.790 0.512 -4.723 464 HA PHE 54 HA PHE 54 -4.119 1.802 -3.781 465 HB2 PHE 54 2HB PHE 54 -1.633 2.955 -5.109 466 HB3 PHE 54 3HB PHE 54 -2.908 3.964 -4.434 467 HD1 PHE 54 HD2 PHE 54 -3.598 2.946 -1.899 468 HD2 PHE 54 HD1 PHE 54 0.261 2.929 -3.725 469 HE1 PHE 54 HE2 PHE 54 -2.546 2.854 0.318 470 HE2 PHE 54 HE1 PHE 54 1.303 2.845 -1.498 471 HZ PHE 54 HZ PHE 54 -0.098 2.804 0.523 472 H SER 55 H SER 55 -2.850 1.464 -7.087 473 HA SER 55 HA SER 55 -4.701 3.149 -8.437 474 HB2 SER 55 2HB SER 55 -2.579 2.391 -9.465 475 HB3 SER 55 3HB SER 55 -3.180 0.734 -9.505 476 HG SER 55 HG SER 55 -3.377 2.075 -11.487 477 H ASP 56 H ASP 56 -4.783 -0.342 -7.695 478 HA ASP 56 HA ASP 56 -7.219 -0.981 -9.037 479 HB2 ASP 56 2HB ASP 56 -5.553 -2.702 -8.376 480 HB3 ASP 56 3HB ASP 56 -5.870 -2.373 -6.678 481 H THR 57 H THR 57 -6.515 -0.227 -5.612 482 HA THR 57 HA THR 57 -9.089 -0.504 -4.527 483 HB THR 57 HB THR 57 -6.896 1.374 -3.529 484 HG1 THR 57 HG1 THR 57 -5.863 -0.445 -3.206 485 HG21 THR 57 3HG2 THR 57 -9.169 0.029 -2.009 486 HG22 THR 57 1HG2 THR 57 -9.083 1.747 -2.406 487 HG23 THR 57 2HG2 THR 57 -7.905 1.036 -1.299 488 H ARG 58 H ARG 58 -7.458 2.362 -5.863 489 HA ARG 58 HA ARG 58 -9.381 4.340 -5.555 490 HB2 ARG 58 2HB ARG 58 -7.342 3.817 -7.728 491 HB3 ARG 58 3HB ARG 58 -8.441 5.189 -7.865 492 HG2 ARG 58 2HG ARG 58 -7.594 6.133 -5.782 493 HG3 ARG 58 3HG ARG 58 -6.545 4.732 -5.538 494 HD2 ARG 58 2HD ARG 58 -5.378 6.770 -6.453 495 HD3 ARG 58 3HD ARG 58 -5.190 5.321 -7.438 496 HE ARG 58 HE ARG 58 -6.261 6.382 -9.158 497 HH11 ARG 58 1HH1 ARG 58 -7.062 8.182 -6.302 498 HH12 ARG 58 2HH1 ARG 58 -7.810 9.448 -7.201 499 HH21 ARG 58 1HH2 ARG 58 -7.212 8.011 -10.262 500 HH22 ARG 58 2HH2 ARG 58 -7.907 9.345 -9.413 501 H TYR 59 H TYR 59 -9.136 1.977 -8.252 502 HA TYR 59 HA TYR 59 -11.372 2.783 -9.743 503 HB2 TYR 59 2HB TYR 59 -9.751 1.196 -10.653 504 HB3 TYR 59 3HB TYR 59 -10.154 0.008 -9.420 505 HD1 TYR 59 HD2 TYR 59 -11.530 1.790 -12.410 506 HD2 TYR 59 HD1 TYR 59 -11.966 -1.552 -9.775 507 HE1 TYR 59 HE2 TYR 59 -13.250 0.838 -13.890 508 HE2 TYR 59 HE1 TYR 59 -13.690 -2.493 -11.254 509 HH TYR 59 HH TYR 59 -14.233 -1.370 -14.404 510 H ASN 60 H ASN 60 -11.208 0.441 -7.029 511 HA ASN 60 HA ASN 60 -14.015 -0.220 -7.145 512 HB2 ASN 60 2HB ASN 60 -11.906 -0.826 -5.038 513 HB3 ASN 60 3HB ASN 60 -13.555 -1.451 -4.989 514 HD21 ASN 60 1HD2 ASN 60 -10.444 -1.732 -6.510 515 HD22 ASN 60 2HD2 ASN 60 -10.800 -3.140 -7.434 516 H GLN 61 H GLN 61 -12.370 2.464 -5.777 517 HA GLN 61 HA GLN 61 -14.475 3.074 -3.816 518 HB2 GLN 61 2HB GLN 61 -11.933 4.585 -4.554 519 HB3 GLN 61 3HB GLN 61 -13.086 5.124 -3.336 520 HG2 GLN 61 2HG GLN 61 -11.488 2.546 -3.233 521 HG3 GLN 61 3HG GLN 61 -11.119 4.023 -2.345 522 HE21 GLN 61 1HE2 GLN 61 -13.239 1.257 -2.563 523 HE22 GLN 61 2HE2 GLN 61 -13.983 1.448 -1.018 524 H ARG 62 H ARG 62 -12.996 4.870 -6.607 525 HA ARG 62 HA ARG 62 -15.127 6.757 -6.792 526 HB2 ARG 62 2HB ARG 62 -14.067 7.576 -8.824 527 HB3 ARG 62 3HB ARG 62 -12.837 7.255 -7.609 528 HG2 ARG 62 2HG ARG 62 -12.092 5.268 -8.759 529 HG3 ARG 62 3HG ARG 62 -13.475 5.305 -9.855 530 HD2 ARG 62 2HD ARG 62 -11.276 7.408 -9.740 531 HD3 ARG 62 3HD ARG 62 -11.378 6.104 -10.931 532 HE ARG 62 HE ARG 62 -13.779 7.350 -11.171 533 HH11 ARG 62 1HH1 ARG 62 -10.560 8.612 -11.301 534 HH12 ARG 62 2HH1 ARG 62 -10.990 9.839 -12.436 535 HH21 ARG 62 1HH2 ARG 62 -14.288 8.933 -12.587 536 HH22 ARG 62 2HH2 ARG 62 -13.073 10.020 -13.160 537 H ASN 63 H ASN 63 -14.625 3.627 -8.321 538 HA ASN 63 HA ASN 63 -17.274 3.849 -9.648 539 HB2 ASN 63 2HB ASN 63 -15.376 3.527 -11.252 540 HB3 ASN 63 3HB ASN 63 -14.941 2.032 -10.439 541 HD21 ASN 63 1HD2 ASN 63 -16.343 0.220 -10.657 542 HD22 ASN 63 2HD2 ASN 63 -17.484 0.124 -11.952 543 H SER 64 H SER 64 -18.409 3.243 -7.806 544 HA SER 64 HA SER 64 -17.760 1.094 -6.064 545 HB2 SER 64 2HB SER 64 -20.034 1.489 -5.104 546 HB3 SER 64 3HB SER 64 -19.129 2.986 -5.313 547 HG SER 64 HG SER 64 -21.343 2.023 -6.766 548 H LYS 65 H LYS 65 -17.746 -0.990 -6.695 549 HA LYS 65 HA LYS 65 -19.763 -2.111 -8.496 550 HB2 LYS 65 2HB LYS 65 -17.416 -3.400 -7.037 551 HB3 LYS 65 3HB LYS 65 -18.489 -4.263 -8.132 552 HG2 LYS 65 2HG LYS 65 -16.713 -1.925 -8.914 553 HG3 LYS 65 3HG LYS 65 -16.325 -3.630 -9.175 554 HD2 LYS 65 2HD LYS 65 -18.460 -3.786 -10.569 555 HD3 LYS 65 3HD LYS 65 -18.588 -2.029 -10.435 556 HE2 LYS 65 2HE LYS 65 -17.548 -2.684 -12.565 557 HE3 LYS 65 3HE LYS 65 -16.408 -1.782 -11.565 558 HZ1 LYS 65 3HZ LYS 65 -15.362 -3.847 -10.930 559 HZ2 LYS 65 1HZ LYS 65 -15.399 -3.716 -12.613 560 HZ3 LYS 65 2HZ LYS 65 -16.485 -4.741 -11.821 561 H SER 66 H SER 66 -18.599 -3.625 -5.499 562 HA SER 66 HA SER 66 -20.772 -3.186 -3.791 563 HB2 SER 66 2HB SER 66 -21.911 -5.412 -3.798 564 HB3 SER 66 3HB SER 66 -22.143 -4.563 -5.320 565 HG SER 66 HG SER 66 -21.165 -6.996 -4.954 566 H ASN 67 H ASN 67 -18.907 -6.096 -4.670 567 HA ASN 67 HA ASN 67 -17.514 -7.485 -3.625 568 HB2 ASN 67 2HB ASN 67 -16.049 -5.451 -3.627 569 HB3 ASN 67 3HB ASN 67 -16.595 -5.084 -1.995 570 HD21 ASN 67 1HD2 ASN 67 -14.761 -7.341 -3.959 571 HD22 ASN 67 2HD2 ASN 67 -13.888 -8.060 -2.658 572 H GLN 68 H GLN 68 -18.618 -8.979 -2.541 573 HA GLN 68 HA GLN 68 -20.134 -8.664 -0.170 574 HB2 GLN 68 2HB GLN 68 -20.500 -10.534 -1.722 575 HB3 GLN 68 3HB GLN 68 -18.886 -11.156 -1.410 576 HG2 GLN 68 2HG GLN 68 -19.543 -11.646 0.935 577 HG3 GLN 68 3HG GLN 68 -21.163 -11.037 0.595 578 HE21 GLN 68 1HE2 GLN 68 -20.299 -13.716 1.449 579 HE22 GLN 68 2HE2 GLN 68 -20.900 -14.809 0.258 580 H CYS 69 H CYS 69 -19.355 -8.191 1.820 581 HA CYS 69 HA CYS 69 -16.626 -8.350 2.606 582 HB2 CYS 69 2HB CYS 69 -17.422 -7.676 4.842 583 HB3 CYS 69 3HB CYS 69 -18.215 -6.719 3.595 584 HG CYS 69 HG CYS 69 -20.290 -7.063 5.234 585 H LEU 70 H LEU 70 -15.713 -9.636 4.381 586 HA LEU 70 HA LEU 70 -16.364 -12.454 4.014 587 HB2 LEU 70 2HB LEU 70 -14.050 -10.978 5.308 588 HB3 LEU 70 3HB LEU 70 -14.226 -12.713 5.480 589 HG LEU 70 HG LEU 70 -14.015 -13.004 3.028 590 HD11 LEU 70 1HD1 LEU 70 -13.546 -10.013 2.881 591 HD12 LEU 70 2HD1 LEU 70 -14.919 -10.894 2.207 592 HD13 LEU 70 3HD1 LEU 70 -13.303 -11.165 1.564 593 HD21 LEU 70 3HD2 LEU 70 -12.007 -13.156 4.415 594 HD22 LEU 70 1HD2 LEU 70 -11.736 -11.418 4.257 595 HD23 LEU 70 2HD2 LEU 70 -11.618 -12.468 2.842 596 H HIS 71 H HIS 71 -18.395 -11.174 5.482 597 HA HIS 71 HA HIS 71 -18.298 -11.551 8.275 598 HB2 HIS 71 2HB HIS 71 -20.016 -10.174 7.135 599 HB3 HIS 71 3HB HIS 71 -20.698 -11.611 6.386 600 HD1 HIS 71 HD1 HIS 71 -22.104 -13.195 7.917 601 HD2 HIS 71 HD2 HIS 71 -20.747 -9.755 9.821 602 HE1 HIS 71 HE1 HIS 71 -23.393 -13.065 10.066 603 HE2 HIS 71 HE2 HIS 71 -22.432 -11.080 11.273 604 H LEU 72 H LEU 72 -17.805 -13.443 9.165 605 HA LEU 72 HA LEU 72 -18.980 -15.995 8.204 606 HB2 LEU 72 2HB LEU 72 -16.625 -15.787 7.440 607 HB3 LEU 72 3HB LEU 72 -16.110 -15.468 9.086 608 HG LEU 72 HG LEU 72 -16.965 -17.825 9.676 609 HD11 LEU 72 1HD1 LEU 72 -18.402 -18.198 7.720 610 HD12 LEU 72 2HD1 LEU 72 -17.172 -19.452 7.853 611 HD13 LEU 72 3HD1 LEU 72 -16.988 -18.164 6.660 612 HD21 LEU 72 3HD2 LEU 72 -14.628 -17.595 7.747 613 HD22 LEU 72 1HD2 LEU 72 -14.918 -18.928 8.870 614 HD23 LEU 72 2HD2 LEU 72 -14.574 -17.315 9.490 615 H ASN 73 H ASN 73 -20.286 -16.715 9.856 616 HA ASN 73 HA ASN 73 -19.577 -16.280 12.659 617 HB2 ASN 73 2HB ASN 73 -21.698 -17.422 13.194 618 HB3 ASN 73 3HB ASN 73 -21.954 -16.130 12.031 619 HD21 ASN 73 1HD2 ASN 73 -22.063 -19.560 12.572 620 HD22 ASN 73 2HD2 ASN 73 -22.823 -19.975 11.076 621 H ASN 74 H ASN 74 -18.399 -17.666 13.854 622 HA ASN 74 HA ASN 74 -18.206 -20.507 13.212 623 HB2 ASN 74 2HB ASN 74 -15.669 -20.434 13.096 624 HB3 ASN 74 3HB ASN 74 -16.502 -19.738 11.717 625 HD21 ASN 74 1HD2 ASN 74 -13.773 -19.315 12.646 626 HD22 ASN 74 2HD2 ASN 74 -13.606 -17.616 12.899 Start of MODEL 9 1 H1 SER 1 1H SER 1 -2.994 -23.826 -21.401 2 H2 SER 1 2H SER 1 -2.230 -25.336 -21.431 3 H3 SER 1 3H SER 1 -3.381 -24.950 -22.605 4 HA SER 1 HA SER 1 -0.748 -23.639 -22.249 5 HB2 SER 1 2HB SER 1 -0.172 -24.716 -24.436 6 HB3 SER 1 3HB SER 1 -0.545 -25.910 -23.194 7 HG SER 1 HG SER 1 -1.600 -25.812 -25.536 8 H HIS 2 H HIS 2 -3.511 -23.993 -24.513 9 HA HIS 2 HA HIS 2 -3.341 -21.099 -25.168 10 HB2 HIS 2 2HB HIS 2 -2.860 -22.572 -27.128 11 HB3 HIS 2 3HB HIS 2 -4.421 -23.362 -26.928 12 HD1 HIS 2 HD1 HIS 2 -6.550 -21.924 -27.504 13 HD2 HIS 2 HD2 HIS 2 -2.929 -20.149 -28.515 14 HE1 HIS 2 HE1 HIS 2 -7.137 -20.018 -29.009 15 HE2 HIS 2 HE2 HIS 2 -4.960 -18.857 -29.464 16 H MET 3 H MET 3 -4.769 -20.283 -23.650 17 HA MET 3 HA MET 3 -7.616 -20.934 -24.022 18 HB2 MET 3 2HB MET 3 -6.893 -22.195 -22.005 19 HB3 MET 3 3HB MET 3 -6.291 -20.711 -21.281 20 HG2 MET 3 2HG MET 3 -8.571 -19.812 -21.184 21 HG3 MET 3 3HG MET 3 -9.191 -21.268 -21.969 22 HE1 MET 3 3HE MET 3 -10.511 -21.582 -18.250 23 HE2 MET 3 1HE MET 3 -10.978 -21.538 -19.951 24 HE3 MET 3 2HE MET 3 -10.327 -20.093 -19.175 25 HA PRO 4 HA PRO 4 -7.371 -16.339 -24.127 26 HB2 PRO 4 2HB PRO 4 -10.058 -16.465 -25.379 27 HB3 PRO 4 3HB PRO 4 -8.547 -15.840 -26.049 28 HG2 PRO 4 2HG PRO 4 -9.684 -18.138 -26.960 29 HG3 PRO 4 3HG PRO 4 -7.927 -17.886 -26.940 30 HD2 PRO 4 2HD PRO 4 -9.639 -19.423 -24.973 31 HD3 PRO 4 3HD PRO 4 -8.087 -19.881 -25.719 32 H ASP 5 H ASP 5 -7.525 -16.292 -21.829 33 HA ASP 5 HA ASP 5 -10.151 -15.535 -20.768 34 HB2 ASP 5 2HB ASP 5 -10.008 -18.018 -20.413 35 HB3 ASP 5 3HB ASP 5 -8.515 -17.800 -19.503 36 H SER 6 H SER 6 -7.092 -16.466 -19.162 37 HA SER 6 HA SER 6 -5.530 -15.426 -17.930 38 HB2 SER 6 2HB SER 6 -6.468 -12.880 -19.311 39 HB3 SER 6 3HB SER 6 -5.045 -12.980 -18.268 40 HG SER 6 HG SER 6 -5.453 -14.514 -20.629 41 H PHE 7 H PHE 7 -8.282 -13.094 -17.829 42 HA PHE 7 HA PHE 7 -9.453 -12.085 -16.214 43 HB2 PHE 7 2HB PHE 7 -10.032 -14.360 -15.438 44 HB3 PHE 7 3HB PHE 7 -8.592 -14.401 -14.427 45 HD1 PHE 7 HD1 PHE 7 -11.820 -12.564 -14.923 46 HD2 PHE 7 HD2 PHE 7 -8.688 -13.561 -12.180 47 HE1 PHE 7 HE1 PHE 7 -13.104 -11.559 -13.080 48 HE2 PHE 7 HE2 PHE 7 -9.987 -12.556 -10.343 49 HZ PHE 7 HZ PHE 7 -12.193 -11.555 -10.793 50 H GLY 8 H GLY 8 -6.853 -13.315 -14.066 51 HA2 GLY 8 2HA GLY 8 -5.031 -11.352 -13.892 52 HA3 GLY 8 3HA GLY 8 -6.375 -10.631 -13.009 53 H ILE 9 H ILE 9 -3.699 -11.420 -12.051 54 HA ILE 9 HA ILE 9 -4.148 -13.641 -10.208 55 HB ILE 9 HB ILE 9 -1.736 -11.798 -10.564 56 HG12 ILE 9 2HG1 ILE 9 -0.595 -13.978 -11.304 57 HG13 ILE 9 3HG1 ILE 9 -2.180 -14.735 -11.309 58 HG21 ILE 9 1HG2 ILE 9 -1.998 -14.141 -8.631 59 HG22 ILE 9 2HG2 ILE 9 -1.835 -12.438 -8.201 60 HG23 ILE 9 3HG2 ILE 9 -0.498 -13.276 -8.987 61 HD11 ILE 9 3HD1 ILE 9 -1.476 -14.137 -13.543 62 HD12 ILE 9 1HD1 ILE 9 -1.276 -12.452 -13.067 63 HD13 ILE 9 2HD1 ILE 9 -2.885 -13.180 -13.085 64 H ARG 10 H ARG 10 -5.729 -13.052 -8.806 65 HA ARG 10 HA ARG 10 -5.705 -10.553 -7.288 66 HB2 ARG 10 2HB ARG 10 -7.784 -11.550 -6.193 67 HB3 ARG 10 3HB ARG 10 -7.896 -11.300 -7.930 68 HG2 ARG 10 2HG ARG 10 -7.600 -13.666 -8.363 69 HG3 ARG 10 3HG ARG 10 -7.255 -13.982 -6.662 70 HD2 ARG 10 2HD ARG 10 -9.910 -12.917 -7.683 71 HD3 ARG 10 3HD ARG 10 -9.578 -14.628 -7.392 72 HE ARG 10 HE ARG 10 -9.495 -12.546 -5.278 73 HH11 ARG 10 1HH1 ARG 10 -10.360 -15.763 -6.249 74 HH12 ARG 10 2HH1 ARG 10 -10.934 -16.181 -4.676 75 HH21 ARG 10 1HH2 ARG 10 -10.250 -13.130 -3.281 76 HH22 ARG 10 2HH2 ARG 10 -10.868 -14.723 -3.029 77 H ALA 11 H ALA 11 -4.945 -13.957 -6.784 78 HA ALA 11 HA ALA 11 -4.579 -13.764 -3.918 79 HB1 ALA 11 3HB ALA 11 -3.875 -16.115 -4.071 80 HB2 ALA 11 1HB ALA 11 -3.862 -16.014 -5.834 81 HB3 ALA 11 2HB ALA 11 -5.381 -15.853 -4.951 82 H LYS 12 H LYS 12 -3.027 -12.084 -3.762 83 HA LYS 12 HA LYS 12 -0.312 -13.037 -3.605 84 HB2 LYS 12 2HB LYS 12 -0.435 -12.212 -5.990 85 HB3 LYS 12 3HB LYS 12 -0.817 -10.604 -5.382 86 HG2 LYS 12 2HG LYS 12 1.387 -10.521 -4.242 87 HG3 LYS 12 3HG LYS 12 1.757 -12.136 -4.854 88 HD2 LYS 12 2HD LYS 12 1.598 -11.253 -7.187 89 HD3 LYS 12 3HD LYS 12 1.305 -9.638 -6.536 90 HE2 LYS 12 2HE LYS 12 3.635 -9.797 -7.159 91 HE3 LYS 12 3HE LYS 12 3.543 -9.762 -5.400 92 HZ1 LYS 12 3HZ LYS 12 5.115 -11.402 -6.179 93 HZ2 LYS 12 1HZ LYS 12 3.912 -12.181 -7.075 94 HZ3 LYS 12 2HZ LYS 12 3.830 -12.167 -5.388 95 H LYS 13 H LYS 13 -2.445 -10.194 -3.447 96 HA LYS 13 HA LYS 13 -1.095 -9.024 -1.155 97 HB2 LYS 13 2HB LYS 13 -3.800 -8.361 -2.401 98 HB3 LYS 13 3HB LYS 13 -3.036 -7.437 -1.116 99 HG2 LYS 13 2HG LYS 13 -2.065 -7.726 -3.976 100 HG3 LYS 13 3HG LYS 13 -2.753 -6.288 -3.216 101 HD2 LYS 13 2HD LYS 13 -0.746 -6.437 -1.567 102 HD3 LYS 13 3HD LYS 13 -0.042 -7.562 -2.731 103 HE2 LYS 13 2HE LYS 13 -0.746 -4.647 -3.160 104 HE3 LYS 13 3HE LYS 13 0.857 -5.377 -3.186 105 HZ1 LYS 13 3HZ LYS 13 -1.313 -5.758 -5.178 106 HZ2 LYS 13 1HZ LYS 13 0.140 -6.619 -5.181 107 HZ3 LYS 13 2HZ LYS 13 0.149 -4.944 -5.404 108 H THR 14 H THR 14 -1.232 -10.108 0.779 109 HA THR 14 HA THR 14 -3.585 -11.628 1.584 110 HB THR 14 HB THR 14 -2.425 -12.184 3.610 111 HG1 THR 14 HG1 THR 14 -0.264 -10.954 3.881 112 HG21 THR 14 3HG2 THR 14 -0.205 -12.965 2.866 113 HG22 THR 14 1HG2 THR 14 -0.296 -11.911 1.449 114 HG23 THR 14 2HG2 THR 14 -1.417 -13.264 1.622 115 H LYS 15 H LYS 15 -4.773 -11.101 3.672 116 HA LYS 15 HA LYS 15 -5.884 -8.499 3.494 117 HB2 LYS 15 2HB LYS 15 -7.150 -10.512 4.243 118 HB3 LYS 15 3HB LYS 15 -6.232 -10.519 5.745 119 HG2 LYS 15 2HG LYS 15 -7.196 -8.329 6.361 120 HG3 LYS 15 3HG LYS 15 -8.087 -8.284 4.837 121 HD2 LYS 15 2HD LYS 15 -9.342 -10.321 5.534 122 HD3 LYS 15 3HD LYS 15 -8.462 -10.326 7.064 123 HE2 LYS 15 2HE LYS 15 -9.442 -8.134 7.640 124 HE3 LYS 15 3HE LYS 15 -10.306 -8.110 6.101 125 HZ1 LYS 15 3HZ LYS 15 -11.743 -8.816 7.881 126 HZ2 LYS 15 1HZ LYS 15 -10.691 -10.079 8.286 127 HZ3 LYS 15 2HZ LYS 15 -11.499 -10.091 6.802 128 H GLU 16 H GLU 16 -3.470 -9.837 5.753 129 HA GLU 16 HA GLU 16 -3.466 -7.567 7.531 130 HB2 GLU 16 2HB GLU 16 -1.541 -9.901 7.251 131 HB3 GLU 16 3HB GLU 16 -1.342 -8.632 8.457 132 HG2 GLU 16 2HG GLU 16 -3.689 -9.218 9.287 133 HG3 GLU 16 3HG GLU 16 -3.611 -10.636 8.243 134 H GLN 17 H GLN 17 -1.415 -8.505 4.756 135 HA GLN 17 HA GLN 17 0.385 -6.292 4.843 136 HB2 GLN 17 2HB GLN 17 -0.594 -7.946 2.469 137 HB3 GLN 17 3HB GLN 17 0.716 -6.771 2.374 138 HG2 GLN 17 2HG GLN 17 2.076 -8.091 3.901 139 HG3 GLN 17 3HG GLN 17 0.750 -9.225 4.155 140 HE21 GLN 17 1HE2 GLN 17 3.467 -9.722 3.141 141 HE22 GLN 17 2HE2 GLN 17 3.262 -10.468 1.596 142 H LEU 18 H LEU 18 -2.662 -6.811 3.155 143 HA LEU 18 HA LEU 18 -3.001 -4.442 1.727 144 HB2 LEU 18 2HB LEU 18 -4.263 -6.719 1.703 145 HB3 LEU 18 3HB LEU 18 -5.248 -6.064 2.990 146 HG LEU 18 HG LEU 18 -5.064 -4.811 0.222 147 HD11 LEU 18 1HD1 LEU 18 -7.140 -6.791 1.214 148 HD12 LEU 18 2HD1 LEU 18 -5.913 -7.093 -0.017 149 HD13 LEU 18 3HD1 LEU 18 -7.191 -5.922 -0.325 150 HD21 LEU 18 3HD2 LEU 18 -7.181 -3.706 0.800 151 HD22 LEU 18 1HD2 LEU 18 -5.901 -3.269 1.927 152 HD23 LEU 18 2HD2 LEU 18 -7.135 -4.438 2.408 153 H ALA 19 H ALA 19 -3.822 -5.234 5.076 154 HA ALA 19 HA ALA 19 -5.340 -2.991 5.828 155 HB1 ALA 19 3HB ALA 19 -3.520 -4.718 7.539 156 HB2 ALA 19 1HB ALA 19 -5.203 -5.069 7.137 157 HB3 ALA 19 2HB ALA 19 -4.808 -3.670 8.139 158 H GLU 20 H GLU 20 -1.826 -3.546 6.061 159 HA GLU 20 HA GLU 20 -1.137 -1.098 7.348 160 HB2 GLU 20 2HB GLU 20 0.549 -2.994 5.668 161 HB3 GLU 20 3HB GLU 20 1.205 -1.669 6.625 162 HG2 GLU 20 2HG GLU 20 -0.292 -4.079 7.706 163 HG3 GLU 20 3HG GLU 20 1.450 -3.822 7.769 164 H LEU 21 H LEU 21 -1.356 -2.055 3.973 165 HA LEU 21 HA LEU 21 -0.291 0.309 2.786 166 HB2 LEU 21 2HB LEU 21 -2.268 -1.690 1.629 167 HB3 LEU 21 3HB LEU 21 -1.289 -0.557 0.709 168 HG LEU 21 HG LEU 21 -0.176 -2.859 2.360 169 HD11 LEU 21 1HD1 LEU 21 -0.484 -2.687 -0.649 170 HD12 LEU 21 2HD1 LEU 21 -1.450 -3.691 0.436 171 HD13 LEU 21 3HD1 LEU 21 0.275 -4.000 0.257 172 HD21 LEU 21 3HD2 LEU 21 1.413 -1.008 2.185 173 HD22 LEU 21 1HD2 LEU 21 1.242 -1.001 0.426 174 HD23 LEU 21 2HD2 LEU 21 1.959 -2.393 1.245 175 H LYS 22 H LYS 22 -3.567 -0.681 3.766 176 HA LYS 22 HA LYS 22 -5.105 1.427 2.723 177 HB2 LYS 22 2HB LYS 22 -5.490 -0.362 5.143 178 HB3 LYS 22 3HB LYS 22 -6.632 0.933 4.818 179 HG2 LYS 22 2HG LYS 22 -5.982 -1.281 2.846 180 HG3 LYS 22 3HG LYS 22 -7.338 -1.328 3.975 181 HD2 LYS 22 2HD LYS 22 -8.276 0.724 2.917 182 HD3 LYS 22 3HD LYS 22 -6.921 0.757 1.785 183 HE2 LYS 22 2HE LYS 22 -8.887 -0.192 0.701 184 HE3 LYS 22 3HE LYS 22 -7.652 -1.439 0.881 185 HZ1 LYS 22 3HZ LYS 22 -10.060 -1.078 2.587 186 HZ2 LYS 22 1HZ LYS 22 -8.859 -2.236 2.856 187 HZ3 LYS 22 2HZ LYS 22 -9.802 -2.310 1.456 188 H VAL 23 H VAL 23 -3.320 1.208 5.787 189 HA VAL 23 HA VAL 23 -4.062 3.605 7.016 190 HB VAL 23 HB VAL 23 -1.342 2.212 7.123 191 HG11 VAL 23 1HG1 VAL 23 -1.136 4.491 8.006 192 HG12 VAL 23 2HG1 VAL 23 -1.023 3.323 9.320 193 HG13 VAL 23 3HG1 VAL 23 -2.517 4.232 9.075 194 HG21 VAL 23 3HG2 VAL 23 -3.773 1.887 8.929 195 HG22 VAL 23 1HG2 VAL 23 -2.206 1.113 9.172 196 HG23 VAL 23 2HG2 VAL 23 -3.180 0.707 7.760 197 H SER 24 H SER 24 -1.562 3.034 4.552 198 HA SER 24 HA SER 24 -0.584 5.730 4.409 199 HB2 SER 24 2HB SER 24 0.804 3.842 3.640 200 HB3 SER 24 3HB SER 24 -0.368 3.468 2.377 201 HG SER 24 HG SER 24 0.740 6.049 2.484 202 H TYR 25 H TYR 25 -2.909 3.859 2.446 203 HA TYR 25 HA TYR 25 -3.438 5.723 0.412 204 HB2 TYR 25 2HB TYR 25 -4.050 3.350 0.219 205 HB3 TYR 25 3HB TYR 25 -5.213 3.505 1.527 206 HD1 TYR 25 HD1 TYR 25 -4.543 4.437 -2.040 207 HD2 TYR 25 HD2 TYR 25 -7.457 4.355 1.093 208 HE1 TYR 25 HE1 TYR 25 -6.324 4.995 -3.665 209 HE2 TYR 25 HE2 TYR 25 -9.212 4.907 -0.532 210 HH TYR 25 HH TYR 25 -8.757 4.775 -3.882 211 H LEU 26 H LEU 26 -4.997 5.310 3.572 212 HA LEU 26 HA LEU 26 -7.201 7.049 3.218 213 HB2 LEU 26 2HB LEU 26 -5.798 6.134 5.750 214 HB3 LEU 26 3HB LEU 26 -7.316 7.025 5.747 215 HG LEU 26 HG LEU 26 -6.922 4.281 4.476 216 HD11 LEU 26 1HD1 LEU 26 -8.283 4.959 7.096 217 HD12 LEU 26 2HD1 LEU 26 -6.747 4.109 6.906 218 HD13 LEU 26 3HD1 LEU 26 -8.237 3.368 6.328 219 HD21 LEU 26 3HD2 LEU 26 -8.675 5.577 3.358 220 HD22 LEU 26 1HD2 LEU 26 -9.473 5.867 4.908 221 HD23 LEU 26 2HD2 LEU 26 -9.363 4.229 4.256 222 H LYS 27 H LYS 27 -3.882 7.662 4.295 223 HA LYS 27 HA LYS 27 -4.277 10.478 4.831 224 HB2 LYS 27 2HB LYS 27 -1.837 8.692 4.600 225 HB3 LYS 27 3HB LYS 27 -1.627 10.435 4.540 226 HG2 LYS 27 2HG LYS 27 -1.245 9.592 6.805 227 HG3 LYS 27 3HG LYS 27 -2.629 10.683 6.757 228 HD2 LYS 27 2HD LYS 27 -4.169 8.755 6.826 229 HD3 LYS 27 3HD LYS 27 -2.794 7.646 6.820 230 HE2 LYS 27 2HE LYS 27 -2.046 8.575 8.994 231 HE3 LYS 27 3HE LYS 27 -3.430 9.671 8.996 232 HZ1 LYS 27 3HZ LYS 27 -3.576 6.707 9.031 233 HZ2 LYS 27 1HZ LYS 27 -4.897 7.763 9.038 234 HZ3 LYS 27 2HZ LYS 27 -3.837 7.726 10.353 235 H ASN 28 H ASN 28 -2.894 8.611 2.104 236 HA ASN 28 HA ASN 28 -4.012 10.274 0.095 237 HB2 ASN 28 2HB ASN 28 -2.144 11.808 0.837 238 HB3 ASN 28 3HB ASN 28 -0.980 10.557 0.405 239 HD21 ASN 28 1HD2 ASN 28 0.035 11.826 -1.144 240 HD22 ASN 28 2HD2 ASN 28 -0.705 12.274 -2.640 241 H GLN 29 H GLN 29 -3.972 9.250 -1.909 242 HA GLN 29 HA GLN 29 -3.203 6.521 -2.128 243 HB2 GLN 29 2HB GLN 29 -5.096 7.409 -3.406 244 HB3 GLN 29 3HB GLN 29 -4.051 8.534 -4.260 245 HG2 GLN 29 2HG GLN 29 -2.936 6.666 -5.396 246 HG3 GLN 29 3HG GLN 29 -3.912 5.512 -4.497 247 HE21 GLN 29 1HE2 GLN 29 -4.647 4.628 -6.477 248 HE22 GLN 29 2HE2 GLN 29 -5.823 5.425 -7.446 249 H PHE 30 H PHE 30 -1.493 9.478 -2.800 250 HA PHE 30 HA PHE 30 0.759 8.032 -4.103 251 HB2 PHE 30 2HB PHE 30 0.179 11.010 -4.419 252 HB3 PHE 30 3HB PHE 30 1.236 10.000 -5.403 253 HD1 PHE 30 HD2 PHE 30 0.136 8.162 -6.863 254 HD2 PHE 30 HD1 PHE 30 -2.101 11.324 -5.041 255 HE1 PHE 30 HE2 PHE 30 -1.731 7.748 -8.415 256 HE2 PHE 30 HE1 PHE 30 -3.964 10.890 -6.590 257 HZ PHE 30 HZ PHE 30 -3.784 9.104 -8.278 258 HA PRO 31 HA PRO 31 2.160 9.699 0.045 259 HB2 PRO 31 2HB PRO 31 3.290 7.501 1.078 260 HB3 PRO 31 3HB PRO 31 1.531 7.604 0.910 261 HG2 PRO 31 2HG PRO 31 3.527 6.216 -0.884 262 HG3 PRO 31 3HG PRO 31 1.983 5.601 -0.249 263 HD2 PRO 31 2HD PRO 31 2.286 6.709 -2.776 264 HD3 PRO 31 3HD PRO 31 0.746 6.682 -1.891 265 H HIS 32 H HIS 32 4.430 9.536 1.203 266 HA HIS 32 HA HIS 32 6.543 10.455 -0.411 267 HB2 HIS 32 2HB HIS 32 6.530 9.315 2.401 268 HB3 HIS 32 3HB HIS 32 8.027 9.831 1.635 269 HD2 HIS 32 HD2 HIS 32 5.039 11.295 3.502 270 HE1 HIS 32 HE1 HIS 32 7.369 14.516 2.056 271 HE2 HIS 32 HE2 HIS 32 5.303 13.861 3.364 272 H ASP 33 H ASP 33 8.540 9.518 -0.989 273 HA ASP 33 HA ASP 33 8.586 6.909 -2.054 274 HB2 ASP 33 2HB ASP 33 10.016 8.830 -2.796 275 HB3 ASP 33 3HB ASP 33 10.914 8.732 -1.292 276 H SER 34 H SER 34 10.099 8.251 0.882 277 HA SER 34 HA SER 34 11.210 5.893 1.948 278 HB2 SER 34 2HB SER 34 10.280 8.385 3.432 279 HB3 SER 34 3HB SER 34 11.376 7.163 4.076 280 HG SER 34 HG SER 34 12.190 9.239 2.967 281 H GLU 35 H GLU 35 7.927 7.183 2.166 282 HA GLU 35 HA GLU 35 6.910 5.551 4.259 283 HB2 GLU 35 2HB GLU 35 5.655 7.517 3.499 284 HB3 GLU 35 3HB GLU 35 5.464 6.828 1.893 285 HG2 GLU 35 2HG GLU 35 3.373 6.620 3.051 286 HG3 GLU 35 3HG GLU 35 4.059 5.011 2.871 287 H ILE 36 H ILE 36 6.882 5.113 0.712 288 HA ILE 36 HA ILE 36 5.556 2.625 0.576 289 HB ILE 36 HB ILE 36 7.722 3.598 -1.348 290 HG12 ILE 36 2HG1 ILE 36 4.740 4.192 -1.621 291 HG13 ILE 36 3HG1 ILE 36 5.850 5.311 -0.841 292 HG21 ILE 36 1HG2 ILE 36 6.492 2.291 -3.061 293 HG22 ILE 36 2HG2 ILE 36 5.347 1.749 -1.832 294 HG23 ILE 36 3HG2 ILE 36 7.039 1.258 -1.741 295 HD11 ILE 36 3HD1 ILE 36 6.011 4.390 -3.712 296 HD12 ILE 36 1HD1 ILE 36 7.109 5.529 -2.924 297 HD13 ILE 36 2HD1 ILE 36 5.409 5.943 -3.137 298 H ILE 37 H ILE 37 9.005 3.421 0.886 299 HA ILE 37 HA ILE 37 10.089 0.802 0.883 300 HB ILE 37 HB ILE 37 11.150 3.349 2.184 301 HG12 ILE 37 2HG1 ILE 37 11.813 2.117 -0.541 302 HG13 ILE 37 3HG1 ILE 37 10.774 3.514 -0.290 303 HG21 ILE 37 1HG2 ILE 37 13.392 2.293 2.131 304 HG22 ILE 37 2HG2 ILE 37 12.674 0.786 1.557 305 HG23 ILE 37 3HG2 ILE 37 12.283 1.398 3.166 306 HD11 ILE 37 3HD1 ILE 37 12.695 4.772 0.591 307 HD12 ILE 37 1HD1 ILE 37 12.960 4.190 -1.053 308 HD13 ILE 37 2HD1 ILE 37 13.730 3.369 0.302 309 H ARG 38 H ARG 38 8.905 2.865 3.531 310 HA ARG 38 HA ARG 38 9.523 1.210 5.738 311 HB2 ARG 38 2HB ARG 38 8.787 3.662 5.755 312 HB3 ARG 38 3HB ARG 38 7.141 3.112 5.504 313 HG2 ARG 38 2HG ARG 38 8.766 2.235 7.909 314 HG3 ARG 38 3HG ARG 38 7.883 3.758 7.894 315 HD2 ARG 38 2HD ARG 38 6.653 1.000 7.553 316 HD3 ARG 38 3HD ARG 38 6.623 1.969 9.028 317 HE ARG 38 HE ARG 38 5.492 3.371 6.801 318 HH11 ARG 38 1HH1 ARG 38 4.696 0.888 9.098 319 HH12 ARG 38 2HH1 ARG 38 3.011 1.256 9.046 320 HH21 ARG 38 1HH2 ARG 38 3.345 3.801 6.779 321 HH22 ARG 38 2HH2 ARG 38 2.259 2.884 7.770 322 H LEU 39 H LEU 39 6.661 1.368 3.626 323 HA LEU 39 HA LEU 39 5.105 -0.643 4.872 324 HB2 LEU 39 2HB LEU 39 5.070 0.315 1.989 325 HB3 LEU 39 3HB LEU 39 3.832 -0.695 2.721 326 HG LEU 39 HG LEU 39 4.492 2.152 3.578 327 HD11 LEU 39 1HD1 LEU 39 2.113 1.151 1.988 328 HD12 LEU 39 2HD1 LEU 39 3.456 2.106 1.357 329 HD13 LEU 39 3HD1 LEU 39 2.372 2.804 2.556 330 HD21 LEU 39 3HD2 LEU 39 2.258 0.320 4.516 331 HD22 LEU 39 1HD2 LEU 39 2.455 2.020 4.955 332 HD23 LEU 39 2HD2 LEU 39 3.658 0.839 5.465 333 H MET 40 H MET 40 7.614 -0.820 2.321 334 HA MET 40 HA MET 40 7.342 -3.553 1.641 335 HB2 MET 40 2HB MET 40 9.860 -1.836 1.654 336 HB3 MET 40 3HB MET 40 9.783 -3.451 0.966 337 HG2 MET 40 2HG MET 40 7.892 -2.506 -0.529 338 HG3 MET 40 3HG MET 40 8.492 -0.922 -0.034 339 HE1 MET 40 3HE MET 40 10.904 0.031 -0.710 340 HE2 MET 40 1HE MET 40 12.137 -0.941 -1.512 341 HE3 MET 40 2HE MET 40 11.649 -1.326 0.137 342 H LYS 41 H LYS 41 9.061 -1.980 4.289 343 HA LYS 41 HA LYS 41 10.423 -4.290 5.306 344 HB2 LYS 41 2HB LYS 41 9.768 -1.631 6.639 345 HB3 LYS 41 3HB LYS 41 10.886 -2.833 7.283 346 HG2 LYS 41 2HG LYS 41 12.355 -2.548 5.342 347 HG3 LYS 41 3HG LYS 41 11.226 -1.385 4.638 348 HD2 LYS 41 2HD LYS 41 11.602 0.137 6.565 349 HD3 LYS 41 3HD LYS 41 12.729 -1.033 7.263 350 HE2 LYS 41 2HE LYS 41 13.085 0.426 4.620 351 HE3 LYS 41 3HE LYS 41 13.938 0.776 6.125 352 HZ1 LYS 41 3HZ LYS 41 14.128 -1.737 4.552 353 HZ2 LYS 41 1HZ LYS 41 14.894 -1.456 6.032 354 HZ3 LYS 41 2HZ LYS 41 15.312 -0.539 4.681 355 H ILE 42 H ILE 42 7.286 -2.821 5.969 356 HA ILE 42 HA ILE 42 6.738 -4.443 8.323 357 HB ILE 42 HB ILE 42 4.919 -2.564 6.745 358 HG12 ILE 42 2HG1 ILE 42 6.787 -1.367 7.840 359 HG13 ILE 42 3HG1 ILE 42 5.261 -0.960 8.612 360 HG21 ILE 42 1HG2 ILE 42 4.394 -3.892 9.426 361 HG22 ILE 42 2HG2 ILE 42 3.539 -4.199 7.916 362 HG23 ILE 42 3HG2 ILE 42 3.391 -2.629 8.703 363 HD11 ILE 42 3HD1 ILE 42 7.333 -2.882 9.693 364 HD12 ILE 42 1HD1 ILE 42 5.800 -2.467 10.469 365 HD13 ILE 42 2HD1 ILE 42 7.035 -1.233 10.239 366 H THR 43 H THR 43 5.182 -4.165 5.098 367 HA THR 43 HA THR 43 3.429 -6.386 5.458 368 HB THR 43 HB THR 43 2.727 -6.044 3.138 369 HG1 THR 43 HG1 THR 43 4.377 -3.945 2.517 370 HG21 THR 43 3HG2 THR 43 3.252 -3.360 4.469 371 HG22 THR 43 1HG2 THR 43 1.867 -4.409 4.776 372 HG23 THR 43 2HG2 THR 43 2.074 -3.667 3.191 373 H GLY 44 H GLY 44 6.501 -5.974 3.709 374 HA2 GLY 44 2HA GLY 44 8.012 -7.652 3.028 375 HA3 GLY 44 3HA GLY 44 6.780 -8.877 3.290 376 H LEU 45 H LEU 45 5.860 -6.072 1.501 377 HA LEU 45 HA LEU 45 5.858 -7.523 -1.081 378 HB2 LEU 45 2HB LEU 45 4.413 -4.993 -0.186 379 HB3 LEU 45 3HB LEU 45 4.276 -5.700 -1.791 380 HG LEU 45 HG LEU 45 3.459 -7.179 0.748 381 HD11 LEU 45 1HD1 LEU 45 1.667 -5.617 -1.137 382 HD12 LEU 45 2HD1 LEU 45 2.059 -5.182 0.528 383 HD13 LEU 45 3HD1 LEU 45 1.131 -6.642 0.200 384 HD21 LEU 45 3HD2 LEU 45 3.961 -8.648 -1.165 385 HD22 LEU 45 1HD2 LEU 45 2.834 -7.741 -2.179 386 HD23 LEU 45 2HD2 LEU 45 2.240 -8.667 -0.797 387 H THR 46 H THR 46 6.412 -6.198 -3.056 388 HA THR 46 HA THR 46 8.853 -4.623 -2.616 389 HB THR 46 HB THR 46 9.103 -4.711 -5.120 390 HG1 THR 46 HG1 THR 46 6.927 -6.542 -5.138 391 HG21 THR 46 3HG2 THR 46 8.662 -7.428 -3.831 392 HG22 THR 46 1HG2 THR 46 10.148 -6.478 -3.745 393 HG23 THR 46 2HG2 THR 46 9.601 -7.123 -5.293 394 H LYS 47 H LYS 47 9.202 -2.649 -3.960 395 HA LYS 47 HA LYS 47 7.534 -0.603 -3.065 396 HB2 LYS 47 2HB LYS 47 9.969 -0.441 -3.603 397 HB3 LYS 47 3HB LYS 47 9.582 -0.515 -5.316 398 HG2 LYS 47 2HG LYS 47 8.371 1.637 -5.137 399 HG3 LYS 47 3HG LYS 47 8.743 1.702 -3.411 400 HD2 LYS 47 2HD LYS 47 11.177 1.736 -3.968 401 HD3 LYS 47 3HD LYS 47 10.766 1.739 -5.684 402 HE2 LYS 47 2HE LYS 47 9.627 3.909 -5.402 403 HE3 LYS 47 3HE LYS 47 10.034 3.904 -3.685 404 HZ1 LYS 47 3HZ LYS 47 11.983 3.927 -5.924 405 HZ2 LYS 47 1HZ LYS 47 12.367 3.917 -4.280 406 HZ3 LYS 47 2HZ LYS 47 11.572 5.245 -4.954 407 H GLY 48 H GLY 48 7.938 -1.781 -6.410 408 HA2 GLY 48 2HA GLY 48 5.935 -0.192 -7.637 409 HA3 GLY 48 3HA GLY 48 6.639 -1.657 -8.299 410 H GLU 49 H GLU 49 5.783 -3.351 -6.078 411 HA GLU 49 HA GLU 49 3.236 -4.211 -6.984 412 HB2 GLU 49 2HB GLU 49 5.066 -5.595 -5.845 413 HB3 GLU 49 3HB GLU 49 4.557 -4.891 -4.320 414 HG2 GLU 49 2HG GLU 49 3.616 -7.116 -4.602 415 HG3 GLU 49 3HG GLU 49 2.335 -5.903 -4.585 416 H ILE 50 H ILE 50 4.279 -2.371 -4.155 417 HA ILE 50 HA ILE 50 1.756 -1.961 -2.908 418 HB ILE 50 HB ILE 50 4.375 -0.405 -2.765 419 HG12 ILE 50 2HG1 ILE 50 3.171 -2.430 -0.813 420 HG13 ILE 50 3HG1 ILE 50 4.439 -2.790 -1.978 421 HG21 ILE 50 1HG2 ILE 50 3.544 0.637 -0.669 422 HG22 ILE 50 2HG2 ILE 50 1.954 -0.076 -0.951 423 HG23 ILE 50 3HG2 ILE 50 2.598 1.125 -2.073 424 HD11 ILE 50 3HD1 ILE 50 4.660 -0.882 0.345 425 HD12 ILE 50 1HD1 ILE 50 5.937 -1.241 -0.822 426 HD13 ILE 50 2HD1 ILE 50 5.334 -2.507 0.248 427 H LYS 51 H LYS 51 3.631 -0.018 -5.247 428 HA LYS 51 HA LYS 51 1.906 2.200 -5.486 429 HB2 LYS 51 2HB LYS 51 3.921 0.988 -7.413 430 HB3 LYS 51 3HB LYS 51 3.048 2.470 -7.786 431 HG2 LYS 51 2HG LYS 51 4.816 2.110 -5.346 432 HG3 LYS 51 3HG LYS 51 5.350 2.830 -6.864 433 HD2 LYS 51 2HD LYS 51 2.999 3.942 -5.278 434 HD3 LYS 51 3HD LYS 51 4.659 4.439 -4.976 435 HE2 LYS 51 2HE LYS 51 3.647 6.088 -6.406 436 HE3 LYS 51 3HE LYS 51 4.812 5.193 -7.375 437 HZ1 LYS 51 3HZ LYS 51 3.000 3.947 -8.350 438 HZ2 LYS 51 1HZ LYS 51 2.744 5.607 -8.550 439 HZ3 LYS 51 2HZ LYS 51 1.874 4.755 -7.378 440 H LYS 52 H LYS 52 1.912 -0.886 -7.268 441 HA LYS 52 HA LYS 52 -0.220 -0.309 -9.054 442 HB2 LYS 52 2HB LYS 52 0.779 -2.982 -7.987 443 HB3 LYS 52 3HB LYS 52 -0.438 -2.830 -9.253 444 HG2 LYS 52 2HG LYS 52 1.245 -1.604 -10.650 445 HG3 LYS 52 3HG LYS 52 2.451 -1.916 -9.403 446 HD2 LYS 52 2HD LYS 52 2.699 -3.554 -11.194 447 HD3 LYS 52 3HD LYS 52 2.134 -4.371 -9.736 448 HE2 LYS 52 2HE LYS 52 0.950 -5.206 -11.722 449 HE3 LYS 52 3HE LYS 52 -0.174 -4.383 -10.641 450 HZ1 LYS 52 3HZ LYS 52 -0.052 -2.434 -12.069 451 HZ2 LYS 52 1HZ LYS 52 -0.550 -3.794 -12.946 452 HZ3 LYS 52 2HZ LYS 52 1.036 -3.224 -13.095 453 H TRP 53 H TRP 53 -0.121 -1.641 -5.778 454 HA TRP 53 HA TRP 53 -2.705 -2.597 -5.443 455 HB2 TRP 53 2HB TRP 53 -0.932 -2.975 -3.787 456 HB3 TRP 53 3HB TRP 53 -0.886 -1.266 -3.388 457 HD1 TRP 53 HD1 TRP 53 -2.992 -4.425 -2.794 458 HE1 TRP 53 HE1 TRP 53 -4.628 -3.967 -0.880 459 HE3 TRP 53 HE3 TRP 53 -2.175 0.586 -2.163 460 HZ2 TRP 53 HZ2 TRP 53 -5.487 -1.794 0.690 461 HZ3 TRP 53 HZ3 TRP 53 -3.462 1.784 -0.448 462 HH2 TRP 53 HH2 TRP 53 -5.085 0.613 0.950 463 H PHE 54 H PHE 54 -1.515 0.730 -4.887 464 HA PHE 54 HA PHE 54 -3.800 1.907 -3.783 465 HB2 PHE 54 2HB PHE 54 -1.607 3.129 -5.504 466 HB3 PHE 54 3HB PHE 54 -2.849 4.094 -4.723 467 HD1 PHE 54 HD2 PHE 54 -3.075 3.766 -2.110 468 HD2 PHE 54 HD1 PHE 54 0.427 2.780 -4.349 469 HE1 PHE 54 HE2 PHE 54 -1.717 3.931 -0.065 470 HE2 PHE 54 HE1 PHE 54 1.779 2.953 -2.301 471 HZ PHE 54 HZ PHE 54 0.709 3.527 -0.157 472 H SER 55 H SER 55 -3.019 1.296 -7.167 473 HA SER 55 HA SER 55 -5.126 2.832 -8.358 474 HB2 SER 55 2HB SER 55 -3.077 2.196 -9.600 475 HB3 SER 55 3HB SER 55 -3.535 0.496 -9.506 476 HG SER 55 HG SER 55 -4.976 0.787 -11.041 477 H ASP 56 H ASP 56 -4.770 -0.691 -7.694 478 HA ASP 56 HA ASP 56 -7.306 -1.489 -8.706 479 HB2 ASP 56 2HB ASP 56 -5.546 -2.887 -6.641 480 HB3 ASP 56 3HB ASP 56 -6.894 -3.636 -7.495 481 H THR 57 H THR 57 -6.249 -0.507 -5.496 482 HA THR 57 HA THR 57 -8.561 -1.164 -3.989 483 HB THR 57 HB THR 57 -6.298 0.816 -3.489 484 HG1 THR 57 HG1 THR 57 -5.484 -1.161 -3.266 485 HG21 THR 57 3HG2 THR 57 -6.985 0.866 -1.098 486 HG22 THR 57 1HG2 THR 57 -8.442 -0.044 -1.499 487 HG23 THR 57 2HG2 THR 57 -8.219 1.589 -2.132 488 H ARG 58 H ARG 58 -7.686 1.765 -5.784 489 HA ARG 58 HA ARG 58 -9.661 3.505 -4.825 490 HB2 ARG 58 2HB ARG 58 -7.594 4.044 -6.225 491 HB3 ARG 58 3HB ARG 58 -8.494 3.487 -7.634 492 HG2 ARG 58 2HG ARG 58 -10.206 5.236 -7.194 493 HG3 ARG 58 3HG ARG 58 -9.237 5.798 -5.824 494 HD2 ARG 58 2HD ARG 58 -8.893 7.197 -7.846 495 HD3 ARG 58 3HD ARG 58 -7.401 6.406 -7.325 496 HE ARG 58 HE ARG 58 -8.828 4.915 -9.323 497 HH11 ARG 58 1HH1 ARG 58 -6.600 7.547 -8.955 498 HH12 ARG 58 2HH1 ARG 58 -5.951 7.345 -10.543 499 HH21 ARG 58 1HH2 ARG 58 -7.974 4.677 -11.315 500 HH22 ARG 58 2HH2 ARG 58 -6.711 5.721 -11.862 501 H TYR 59 H TYR 59 -9.721 1.164 -7.490 502 HA TYR 59 HA TYR 59 -12.480 1.563 -8.242 503 HB2 TYR 59 2HB TYR 59 -10.874 0.724 -9.883 504 HB3 TYR 59 3HB TYR 59 -10.482 -0.655 -8.860 505 HD1 TYR 59 HD2 TYR 59 -13.140 0.827 -11.019 506 HD2 TYR 59 HD1 TYR 59 -11.846 -2.665 -8.922 507 HE1 TYR 59 HE2 TYR 59 -14.867 -0.505 -12.158 508 HE2 TYR 59 HE1 TYR 59 -13.575 -3.988 -10.052 509 HH TYR 59 HH TYR 59 -15.757 -3.614 -11.154 510 H ASN 60 H ASN 60 -10.738 -0.577 -6.045 511 HA ASN 60 HA ASN 60 -12.608 -2.622 -5.647 512 HB2 ASN 60 2HB ASN 60 -10.290 -2.848 -4.928 513 HB3 ASN 60 3HB ASN 60 -10.458 -1.521 -3.794 514 HD21 ASN 60 1HD2 ASN 60 -12.760 -4.181 -4.250 515 HD22 ASN 60 2HD2 ASN 60 -12.543 -4.862 -2.685 516 H GLN 61 H GLN 61 -12.172 0.407 -3.785 517 HA GLN 61 HA GLN 61 -14.033 -0.173 -1.726 518 HB2 GLN 61 2HB GLN 61 -13.011 2.523 -2.681 519 HB3 GLN 61 3HB GLN 61 -13.834 2.236 -1.149 520 HG2 GLN 61 2HG GLN 61 -11.992 0.769 -0.425 521 HG3 GLN 61 3HG GLN 61 -11.171 1.027 -1.963 522 HE21 GLN 61 1HE2 GLN 61 -11.859 3.913 -2.031 523 HE22 GLN 61 2HE2 GLN 61 -10.828 4.650 -0.867 524 H ARG 62 H ARG 62 -14.604 1.038 -4.951 525 HA ARG 62 HA ARG 62 -17.377 1.842 -4.290 526 HB2 ARG 62 2HB ARG 62 -17.445 2.885 -6.526 527 HB3 ARG 62 3HB ARG 62 -16.083 3.483 -5.585 528 HG2 ARG 62 2HG ARG 62 -14.581 1.938 -6.837 529 HG3 ARG 62 3HG ARG 62 -15.955 1.435 -7.819 530 HD2 ARG 62 2HD ARG 62 -14.666 3.068 -9.055 531 HD3 ARG 62 3HD ARG 62 -16.208 3.798 -8.598 532 HE ARG 62 HE ARG 62 -14.861 4.790 -6.659 533 HH11 ARG 62 1HH1 ARG 62 -13.461 4.200 -9.761 534 HH12 ARG 62 2HH1 ARG 62 -12.314 5.477 -9.587 535 HH21 ARG 62 1HH2 ARG 62 -13.399 6.403 -6.472 536 HH22 ARG 62 2HH2 ARG 62 -12.287 6.723 -7.757 537 H ASN 63 H ASN 63 -15.761 -0.922 -5.330 538 HA ASN 63 HA ASN 63 -18.300 -2.139 -6.294 539 HB2 ASN 63 2HB ASN 63 -15.540 -2.608 -7.534 540 HB3 ASN 63 3HB ASN 63 -16.997 -3.510 -7.947 541 HD21 ASN 63 1HD2 ASN 63 -15.302 -0.511 -8.324 542 HD22 ASN 63 2HD2 ASN 63 -16.327 0.150 -9.544 543 H SER 64 H SER 64 -16.930 -2.162 -3.641 544 HA SER 64 HA SER 64 -15.571 -4.680 -3.288 545 HB2 SER 64 2HB SER 64 -15.030 -2.726 -1.861 546 HB3 SER 64 3HB SER 64 -16.656 -2.760 -1.176 547 HG SER 64 HG SER 64 -15.239 -3.843 0.202 548 H LYS 65 H LYS 65 -17.004 -6.290 -3.977 549 HA LYS 65 HA LYS 65 -19.428 -6.834 -2.397 550 HB2 LYS 65 2HB LYS 65 -19.450 -7.086 -4.903 551 HB3 LYS 65 3HB LYS 65 -18.253 -8.362 -4.764 552 HG2 LYS 65 2HG LYS 65 -20.445 -9.343 -5.106 553 HG3 LYS 65 3HG LYS 65 -19.874 -9.735 -3.483 554 HD2 LYS 65 2HD LYS 65 -22.249 -9.153 -3.408 555 HD3 LYS 65 3HD LYS 65 -21.313 -7.934 -2.545 556 HE2 LYS 65 2HE LYS 65 -23.066 -6.892 -3.912 557 HE3 LYS 65 3HE LYS 65 -21.470 -6.432 -4.503 558 HZ1 LYS 65 3HZ LYS 65 -23.175 -8.563 -5.667 559 HZ2 LYS 65 1HZ LYS 65 -21.677 -8.049 -6.260 560 HZ3 LYS 65 2HZ LYS 65 -23.005 -7.002 -6.291 561 H SER 66 H SER 66 -18.065 -7.040 -0.454 562 HA SER 66 HA SER 66 -16.228 -9.279 -0.215 563 HB2 SER 66 2HB SER 66 -15.923 -8.465 2.141 564 HB3 SER 66 3HB SER 66 -15.630 -7.215 0.934 565 HG SER 66 HG SER 66 -17.566 -7.369 2.887 566 H ASN 67 H ASN 67 -17.891 -10.877 -0.772 567 HA ASN 67 HA ASN 67 -19.319 -11.849 1.650 568 HB2 ASN 67 2HB ASN 67 -20.045 -12.399 -1.262 569 HB3 ASN 67 3HB ASN 67 -20.883 -13.044 0.142 570 HD21 ASN 67 1HD2 ASN 67 -20.794 -10.510 1.643 571 HD22 ASN 67 2HD2 ASN 67 -21.924 -9.469 0.868 572 H GLN 68 H GLN 68 -17.904 -13.266 2.534 573 HA GLN 68 HA GLN 68 -16.169 -15.044 1.077 574 HB2 GLN 68 2HB GLN 68 -17.024 -15.054 4.007 575 HB3 GLN 68 3HB GLN 68 -15.719 -16.027 3.338 576 HG2 GLN 68 2HG GLN 68 -14.508 -13.927 2.743 577 HG3 GLN 68 3HG GLN 68 -15.798 -12.999 3.503 578 HE21 GLN 68 1HE2 GLN 68 -14.479 -16.034 4.791 579 HE22 GLN 68 2HE2 GLN 68 -13.763 -15.326 6.186 580 H CYS 69 H CYS 69 -16.491 -17.515 2.524 581 HA CYS 69 HA CYS 69 -18.668 -18.830 1.218 582 HB2 CYS 69 2HB CYS 69 -16.940 -19.792 3.535 583 HB3 CYS 69 3HB CYS 69 -17.978 -20.806 2.535 584 HG CYS 69 HG CYS 69 -15.657 -21.461 1.469 585 H LEU 70 H LEU 70 -20.491 -17.627 1.809 586 HA LEU 70 HA LEU 70 -21.190 -16.835 4.446 587 HB2 LEU 70 2HB LEU 70 -21.766 -15.683 2.287 588 HB3 LEU 70 3HB LEU 70 -22.915 -16.956 1.939 589 HG LEU 70 HG LEU 70 -23.242 -15.274 4.449 590 HD11 LEU 70 1HD1 LEU 70 -22.974 -13.641 2.622 591 HD12 LEU 70 2HD1 LEU 70 -24.628 -13.656 3.227 592 HD13 LEU 70 3HD1 LEU 70 -24.244 -14.451 1.698 593 HD21 LEU 70 3HD2 LEU 70 -24.709 -17.229 4.240 594 HD22 LEU 70 1HD2 LEU 70 -25.273 -16.663 2.663 595 HD23 LEU 70 2HD2 LEU 70 -25.643 -15.742 4.123 596 H HIS 71 H HIS 71 -22.115 -19.612 2.463 597 HA HIS 71 HA HIS 71 -24.211 -20.490 4.340 598 HB2 HIS 71 2HB HIS 71 -23.366 -21.748 1.690 599 HB3 HIS 71 3HB HIS 71 -24.839 -22.093 2.598 600 HD1 HIS 71 HD1 HIS 71 -23.278 -19.572 0.332 601 HD2 HIS 71 HD2 HIS 71 -26.911 -20.177 2.257 602 HE1 HIS 71 HE1 HIS 71 -24.843 -17.886 -0.654 603 HE2 HIS 71 HE2 HIS 71 -27.051 -18.315 0.461 604 H LEU 72 H LEU 72 -20.954 -20.814 4.296 605 HA LEU 72 HA LEU 72 -20.806 -23.696 4.918 606 HB2 LEU 72 2HB LEU 72 -19.251 -22.796 3.229 607 HB3 LEU 72 3HB LEU 72 -18.619 -21.652 4.397 608 HG LEU 72 HG LEU 72 -17.626 -23.477 5.714 609 HD11 LEU 72 1HD1 LEU 72 -19.241 -25.260 5.356 610 HD12 LEU 72 2HD1 LEU 72 -17.632 -25.812 4.904 611 HD13 LEU 72 3HD1 LEU 72 -18.793 -25.372 3.649 612 HD21 LEU 72 3HD2 LEU 72 -15.886 -24.194 4.133 613 HD22 LEU 72 1HD2 LEU 72 -16.283 -22.492 3.895 614 HD23 LEU 72 2HD2 LEU 72 -16.898 -23.707 2.771 615 H ASN 73 H ASN 73 -20.940 -24.293 6.976 616 HA ASN 73 HA ASN 73 -20.451 -22.423 9.196 617 HB2 ASN 73 2HB ASN 73 -22.613 -23.622 9.127 618 HB3 ASN 73 3HB ASN 73 -21.780 -25.171 9.103 619 HD21 ASN 73 1HD2 ASN 73 -22.864 -25.859 10.961 620 HD22 ASN 73 2HD2 ASN 73 -22.490 -25.242 12.529 621 H ASN 74 H ASN 74 -18.161 -22.411 9.323 622 HA ASN 74 HA ASN 74 -16.943 -24.868 10.474 623 HB2 ASN 74 2HB ASN 74 -15.581 -22.882 8.596 624 HB3 ASN 74 3HB ASN 74 -14.736 -24.149 9.476 625 HD21 ASN 74 1HD2 ASN 74 -16.948 -26.109 9.025 626 HD22 ASN 74 2HD2 ASN 74 -16.800 -26.576 7.374 Start of MODEL 10 1 H1 SER 1 1H SER 1 -32.427 -9.565 8.122 2 H2 SER 1 2H SER 1 -31.742 -11.075 8.434 3 H3 SER 1 3H SER 1 -30.818 -9.869 7.697 4 HA SER 1 HA SER 1 -30.889 -8.509 9.649 5 HB2 SER 1 2HB SER 1 -32.437 -10.797 10.934 6 HB3 SER 1 3HB SER 1 -31.932 -9.310 11.736 7 HG SER 1 HG SER 1 -34.051 -9.781 10.030 8 H HIS 2 H HIS 2 -30.780 -12.080 10.183 9 HA HIS 2 HA HIS 2 -28.336 -11.927 11.708 10 HB2 HIS 2 2HB HIS 2 -30.153 -13.591 12.173 11 HB3 HIS 2 3HB HIS 2 -29.782 -14.398 10.654 12 HD1 HIS 2 HD1 HIS 2 -27.786 -15.982 10.631 13 HD2 HIS 2 HD2 HIS 2 -28.164 -13.902 14.209 14 HE1 HIS 2 HE1 HIS 2 -26.156 -17.049 12.203 15 HE2 HIS 2 HE2 HIS 2 -26.520 -15.886 14.398 16 H MET 3 H MET 3 -26.827 -11.017 10.253 17 HA MET 3 HA MET 3 -25.531 -12.982 8.451 18 HB2 MET 3 2HB MET 3 -25.890 -10.003 7.888 19 HB3 MET 3 3HB MET 3 -24.809 -11.050 6.977 20 HG2 MET 3 2HG MET 3 -26.725 -12.391 6.224 21 HG3 MET 3 3HG MET 3 -27.814 -11.369 7.160 22 HE1 MET 3 3HE MET 3 -25.342 -11.513 4.071 23 HE2 MET 3 1HE MET 3 -24.658 -10.217 5.053 24 HE3 MET 3 2HE MET 3 -25.410 -9.844 3.503 25 HA PRO 4 HA PRO 4 -22.211 -11.631 11.367 26 HB2 PRO 4 2HB PRO 4 -20.808 -13.927 11.433 27 HB3 PRO 4 3HB PRO 4 -22.383 -13.807 12.233 28 HG2 PRO 4 2HG PRO 4 -21.706 -15.016 9.552 29 HG3 PRO 4 3HG PRO 4 -22.745 -15.667 10.839 30 HD2 PRO 4 2HD PRO 4 -23.698 -14.304 8.613 31 HD3 PRO 4 3HD PRO 4 -24.572 -14.416 10.156 32 H ASP 5 H ASP 5 -22.286 -11.640 8.168 33 HA ASP 5 HA ASP 5 -19.676 -12.160 7.229 34 HB2 ASP 5 2HB ASP 5 -21.885 -10.427 6.033 35 HB3 ASP 5 3HB ASP 5 -20.451 -10.980 5.163 36 H SER 6 H SER 6 -17.937 -10.880 6.852 37 HA SER 6 HA SER 6 -18.008 -7.949 7.223 38 HB2 SER 6 2HB SER 6 -15.957 -9.808 8.551 39 HB3 SER 6 3HB SER 6 -15.831 -8.050 8.503 40 HG SER 6 HG SER 6 -18.126 -9.296 9.568 41 H PHE 7 H PHE 7 -15.259 -7.453 6.637 42 HA PHE 7 HA PHE 7 -14.962 -8.083 3.872 43 HB2 PHE 7 2HB PHE 7 -13.898 -6.090 4.992 44 HB3 PHE 7 3HB PHE 7 -12.798 -7.175 5.829 45 HD1 PHE 7 HD1 PHE 7 -13.697 -5.766 2.511 46 HD2 PHE 7 HD2 PHE 7 -10.832 -8.087 4.680 47 HE1 PHE 7 HE1 PHE 7 -12.128 -5.612 0.617 48 HE2 PHE 7 HE2 PHE 7 -9.276 -7.925 2.781 49 HZ PHE 7 HZ PHE 7 -9.920 -6.694 0.749 50 H GLY 8 H GLY 8 -15.156 -10.316 3.621 51 HA2 GLY 8 2HA GLY 8 -13.466 -12.197 5.124 52 HA3 GLY 8 3HA GLY 8 -14.836 -12.595 4.100 53 H ILE 9 H ILE 9 -13.637 -10.820 1.921 54 HA ILE 9 HA ILE 9 -12.288 -12.869 0.480 55 HB ILE 9 HB ILE 9 -12.846 -9.940 -0.146 56 HG12 ILE 9 2HG1 ILE 9 -14.184 -10.929 -2.049 57 HG13 ILE 9 3HG1 ILE 9 -13.771 -12.538 -1.478 58 HG21 ILE 9 1HG2 ILE 9 -11.232 -11.806 -1.933 59 HG22 ILE 9 2HG2 ILE 9 -10.642 -10.343 -1.148 60 HG23 ILE 9 3HG2 ILE 9 -11.858 -10.228 -2.419 61 HD11 ILE 9 3HD1 ILE 9 -15.440 -10.497 -0.019 62 HD12 ILE 9 1HD1 ILE 9 -15.034 -12.106 0.585 63 HD13 ILE 9 2HD1 ILE 9 -16.024 -11.928 -0.862 64 H ARG 10 H ARG 10 -10.245 -13.419 0.559 65 HA ARG 10 HA ARG 10 -8.268 -11.986 2.091 66 HB2 ARG 10 2HB ARG 10 -8.440 -14.461 2.116 67 HB3 ARG 10 3HB ARG 10 -8.020 -14.514 0.410 68 HG2 ARG 10 2HG ARG 10 -5.771 -13.669 0.901 69 HG3 ARG 10 3HG ARG 10 -6.188 -13.483 2.609 70 HD2 ARG 10 2HD ARG 10 -6.552 -15.940 2.766 71 HD3 ARG 10 3HD ARG 10 -6.088 -16.102 1.068 72 HE ARG 10 HE ARG 10 -3.885 -15.073 1.852 73 HH11 ARG 10 1HH1 ARG 10 -5.785 -17.108 3.911 74 HH12 ARG 10 2HH1 ARG 10 -4.401 -17.730 4.738 75 HH21 ARG 10 1HH2 ARG 10 -2.152 -15.884 2.922 76 HH22 ARG 10 2HH2 ARG 10 -2.381 -17.039 4.188 77 H ALA 11 H ALA 11 -8.843 -12.682 -1.336 78 HA ALA 11 HA ALA 11 -8.011 -11.949 -3.316 79 HB1 ALA 11 3HB ALA 11 -7.352 -9.575 -3.468 80 HB2 ALA 11 1HB ALA 11 -7.225 -9.490 -1.708 81 HB3 ALA 11 2HB ALA 11 -8.791 -9.771 -2.469 82 H LYS 12 H LYS 12 -5.663 -10.462 -4.008 83 HA LYS 12 HA LYS 12 -3.491 -12.255 -3.303 84 HB2 LYS 12 2HB LYS 12 -3.528 -9.729 -5.004 85 HB3 LYS 12 3HB LYS 12 -2.108 -10.756 -4.784 86 HG2 LYS 12 2HG LYS 12 -3.413 -12.674 -5.761 87 HG3 LYS 12 3HG LYS 12 -4.738 -11.552 -6.096 88 HD2 LYS 12 2HD LYS 12 -3.278 -10.259 -7.605 89 HD3 LYS 12 3HD LYS 12 -1.918 -11.323 -7.231 90 HE2 LYS 12 2HE LYS 12 -3.176 -13.237 -8.213 91 HE3 LYS 12 3HE LYS 12 -4.497 -12.140 -8.622 92 HZ1 LYS 12 3HZ LYS 12 -3.085 -12.532 -10.520 93 HZ2 LYS 12 1HZ LYS 12 -1.723 -11.998 -9.672 94 HZ3 LYS 12 2HZ LYS 12 -2.966 -10.918 -10.044 95 H LYS 13 H LYS 13 -1.247 -10.869 -2.846 96 HA LYS 13 HA LYS 13 -0.030 -10.514 -0.978 97 HB2 LYS 13 2HB LYS 13 -2.091 -8.350 -0.344 98 HB3 LYS 13 3HB LYS 13 -0.483 -8.479 0.347 99 HG2 LYS 13 2HG LYS 13 -0.085 -6.864 -1.228 100 HG3 LYS 13 3HG LYS 13 0.287 -8.281 -2.194 101 HD2 LYS 13 2HD LYS 13 -1.966 -8.184 -3.212 102 HD3 LYS 13 3HD LYS 13 -2.379 -6.803 -2.194 103 HE2 LYS 13 2HE LYS 13 -1.819 -6.055 -4.451 104 HE3 LYS 13 3HE LYS 13 -0.609 -5.474 -3.305 105 HZ1 LYS 13 3HZ LYS 13 0.423 -6.317 -5.298 106 HZ2 LYS 13 1HZ LYS 13 -0.325 -7.818 -5.100 107 HZ3 LYS 13 2HZ LYS 13 0.831 -7.302 -3.985 108 H THR 14 H THR 14 -0.423 -10.055 1.700 109 HA THR 14 HA THR 14 -2.445 -12.060 2.570 110 HB THR 14 HB THR 14 -1.289 -12.324 4.636 111 HG1 THR 14 HG1 THR 14 0.474 -10.896 5.233 112 HG21 THR 14 3HG2 THR 14 -0.071 -13.376 2.761 113 HG22 THR 14 1HG2 THR 14 1.045 -12.839 4.015 114 HG23 THR 14 2HG2 THR 14 0.871 -11.899 2.532 115 H LYS 15 H LYS 15 -3.688 -11.495 4.593 116 HA LYS 15 HA LYS 15 -5.103 -9.044 4.317 117 HB2 LYS 15 2HB LYS 15 -5.065 -11.069 6.596 118 HB3 LYS 15 3HB LYS 15 -6.239 -9.759 6.450 119 HG2 LYS 15 2HG LYS 15 -5.872 -11.933 4.358 120 HG3 LYS 15 3HG LYS 15 -7.053 -12.021 5.666 121 HD2 LYS 15 2HD LYS 15 -7.089 -9.575 3.884 122 HD3 LYS 15 3HD LYS 15 -7.709 -11.087 3.233 123 HE2 LYS 15 2HE LYS 15 -9.515 -9.718 4.191 124 HE3 LYS 15 3HE LYS 15 -9.345 -11.241 5.056 125 HZ1 LYS 15 3HZ LYS 15 -8.137 -10.059 6.790 126 HZ2 LYS 15 1HZ LYS 15 -9.682 -9.418 6.564 127 HZ3 LYS 15 2HZ LYS 15 -8.335 -8.603 5.958 128 H GLU 16 H GLU 16 -2.501 -10.062 6.436 129 HA GLU 16 HA GLU 16 -2.336 -7.888 8.241 130 HB2 GLU 16 2HB GLU 16 -0.098 -9.635 7.127 131 HB3 GLU 16 3HB GLU 16 -0.022 -8.699 8.621 132 HG2 GLU 16 2HG GLU 16 -1.466 -10.151 9.769 133 HG3 GLU 16 3HG GLU 16 -2.167 -10.798 8.286 134 H GLN 17 H GLN 17 -0.647 -8.488 5.157 135 HA GLN 17 HA GLN 17 0.833 -6.067 5.021 136 HB2 GLN 17 2HB GLN 17 -0.027 -8.004 2.829 137 HB3 GLN 17 3HB GLN 17 1.154 -6.713 2.609 138 HG2 GLN 17 2HG GLN 17 2.663 -7.761 4.209 139 HG3 GLN 17 3HG GLN 17 1.471 -9.009 4.567 140 HE21 GLN 17 1HE2 GLN 17 4.226 -9.226 3.492 141 HE22 GLN 17 2HE2 GLN 17 4.073 -10.108 2.019 142 H LEU 18 H LEU 18 -2.202 -7.060 3.490 143 HA LEU 18 HA LEU 18 -2.749 -4.812 1.912 144 HB2 LEU 18 2HB LEU 18 -3.745 -7.211 1.909 145 HB3 LEU 18 3HB LEU 18 -4.848 -6.642 3.141 146 HG LEU 18 HG LEU 18 -4.693 -5.354 0.384 147 HD11 LEU 18 1HD1 LEU 18 -6.594 -6.757 -0.320 148 HD12 LEU 18 2HD1 LEU 18 -6.507 -7.654 1.199 149 HD13 LEU 18 3HD1 LEU 18 -5.172 -7.733 0.046 150 HD21 LEU 18 3HD2 LEU 18 -6.936 -5.359 2.439 151 HD22 LEU 18 1HD2 LEU 18 -6.981 -4.583 0.853 152 HD23 LEU 18 2HD2 LEU 18 -5.860 -4.007 2.082 153 H ALA 19 H ALA 19 -3.565 -5.532 5.287 154 HA ALA 19 HA ALA 19 -5.267 -3.332 5.835 155 HB1 ALA 19 3HB ALA 19 -5.147 -5.331 7.259 156 HB2 ALA 19 1HB ALA 19 -4.867 -3.864 8.203 157 HB3 ALA 19 2HB ALA 19 -3.508 -4.899 7.749 158 H GLU 20 H GLU 20 -1.718 -3.695 6.158 159 HA GLU 20 HA GLU 20 -1.178 -1.135 7.298 160 HB2 GLU 20 2HB GLU 20 0.636 -2.964 5.666 161 HB3 GLU 20 3HB GLU 20 1.189 -1.557 6.575 162 HG2 GLU 20 2HG GLU 20 -0.080 -4.059 7.746 163 HG3 GLU 20 3HG GLU 20 1.634 -3.640 7.781 164 H LEU 21 H LEU 21 -1.371 -2.272 3.953 165 HA LEU 21 HA LEU 21 -0.530 0.086 2.614 166 HB2 LEU 21 2HB LEU 21 -2.493 -2.044 1.675 167 HB3 LEU 21 3HB LEU 21 -1.699 -0.866 0.638 168 HG LEU 21 HG LEU 21 -0.335 -3.119 2.165 169 HD11 LEU 21 1HD1 LEU 21 -1.620 -3.921 0.249 170 HD12 LEU 21 2HD1 LEU 21 0.107 -4.094 -0.034 171 HD13 LEU 21 3HD1 LEU 21 -0.781 -2.785 -0.812 172 HD21 LEU 21 3HD2 LEU 21 0.919 -1.057 0.319 173 HD22 LEU 21 1HD2 LEU 21 1.738 -2.466 1.001 174 HD23 LEU 21 2HD2 LEU 21 1.160 -1.186 2.064 175 H LYS 22 H LYS 22 -3.711 -1.013 3.777 176 HA LYS 22 HA LYS 22 -5.249 1.154 2.808 177 HB2 LYS 22 2HB LYS 22 -5.744 -0.776 5.094 178 HB3 LYS 22 3HB LYS 22 -6.865 0.537 4.745 179 HG2 LYS 22 2HG LYS 22 -7.033 -0.387 2.379 180 HG3 LYS 22 3HG LYS 22 -6.150 -1.803 2.959 181 HD2 LYS 22 2HD LYS 22 -7.925 -2.342 4.521 182 HD3 LYS 22 3HD LYS 22 -8.763 -0.825 4.177 183 HE2 LYS 22 2HE LYS 22 -9.148 -1.595 1.841 184 HE3 LYS 22 3HE LYS 22 -8.353 -3.123 2.227 185 HZ1 LYS 22 3HZ LYS 22 -10.070 -3.575 3.851 186 HZ2 LYS 22 1HZ LYS 22 -10.769 -3.280 2.338 187 HZ3 LYS 22 2HZ LYS 22 -10.810 -2.088 3.533 188 H VAL 23 H VAL 23 -3.391 0.805 5.842 189 HA VAL 23 HA VAL 23 -4.309 3.115 7.174 190 HB VAL 23 HB VAL 23 -1.506 1.907 7.316 191 HG11 VAL 23 1HG1 VAL 23 -1.510 4.192 8.244 192 HG12 VAL 23 2HG1 VAL 23 -1.317 3.007 9.536 193 HG13 VAL 23 3HG1 VAL 23 -2.881 3.789 9.285 194 HG21 VAL 23 3HG2 VAL 23 -2.336 0.708 9.322 195 HG22 VAL 23 1HG2 VAL 23 -3.242 0.264 7.874 196 HG23 VAL 23 2HG2 VAL 23 -3.948 1.371 9.050 197 H SER 24 H SER 24 -1.589 2.729 4.892 198 HA SER 24 HA SER 24 -0.749 5.419 4.723 199 HB2 SER 24 2HB SER 24 0.592 3.563 3.804 200 HB3 SER 24 3HB SER 24 -0.635 3.262 2.574 201 HG SER 24 HG SER 24 0.142 4.851 1.435 202 H TYR 25 H TYR 25 -3.217 3.642 2.874 203 HA TYR 25 HA TYR 25 -3.971 5.663 1.039 204 HB2 TYR 25 2HB TYR 25 -4.478 3.210 0.837 205 HB3 TYR 25 3HB TYR 25 -5.650 3.360 2.138 206 HD1 TYR 25 HD1 TYR 25 -4.908 4.437 -1.365 207 HD2 TYR 25 HD2 TYR 25 -7.902 4.076 1.665 208 HE1 TYR 25 HE1 TYR 25 -6.643 4.947 -3.024 209 HE2 TYR 25 HE2 TYR 25 -9.644 4.574 0.000 210 HH TYR 25 HH TYR 25 -9.813 5.732 -2.203 211 H LEU 26 H LEU 26 -5.031 4.972 4.341 212 HA LEU 26 HA LEU 26 -7.247 6.779 4.486 213 HB2 LEU 26 2HB LEU 26 -5.566 5.527 6.686 214 HB3 LEU 26 3HB LEU 26 -7.037 6.443 6.980 215 HG LEU 26 HG LEU 26 -6.897 3.825 5.428 216 HD11 LEU 26 1HD1 LEU 26 -7.885 4.299 8.255 217 HD12 LEU 26 2HD1 LEU 26 -6.405 3.454 7.794 218 HD13 LEU 26 3HD1 LEU 26 -7.973 2.777 7.364 219 HD21 LEU 26 3HD2 LEU 26 -9.332 5.411 6.303 220 HD22 LEU 26 1HD2 LEU 26 -9.351 3.825 5.531 221 HD23 LEU 26 2HD2 LEU 26 -8.747 5.224 4.647 222 H LYS 27 H LYS 27 -3.792 7.089 5.148 223 HA LYS 27 HA LYS 27 -3.820 9.748 6.225 224 HB2 LYS 27 2HB LYS 27 -1.602 8.297 4.708 225 HB3 LYS 27 3HB LYS 27 -1.392 9.774 5.647 226 HG2 LYS 27 2HG LYS 27 -1.938 8.549 7.717 227 HG3 LYS 27 3HG LYS 27 -2.219 7.079 6.781 228 HD2 LYS 27 2HD LYS 27 0.006 7.017 7.823 229 HD3 LYS 27 3HD LYS 27 0.147 7.063 6.063 230 HE2 LYS 27 2HE LYS 27 0.619 9.498 6.177 231 HE3 LYS 27 3HE LYS 27 0.486 9.436 7.935 232 HZ1 LYS 27 3HZ LYS 27 2.365 7.921 7.973 233 HZ2 LYS 27 1HZ LYS 27 2.770 9.382 7.226 234 HZ3 LYS 27 2HZ LYS 27 2.495 8.005 6.290 235 H ASN 28 H ASN 28 -3.025 8.474 3.000 236 HA ASN 28 HA ASN 28 -4.299 10.568 1.532 237 HB2 ASN 28 2HB ASN 28 -2.228 11.460 0.428 238 HB3 ASN 28 3HB ASN 28 -2.283 11.841 2.143 239 HD21 ASN 28 1HD2 ASN 28 -0.852 10.708 3.559 240 HD22 ASN 28 2HD2 ASN 28 0.570 9.943 2.959 241 H GLN 29 H GLN 29 -4.661 9.891 -0.603 242 HA GLN 29 HA GLN 29 -4.318 7.058 -1.077 243 HB2 GLN 29 2HB GLN 29 -5.557 9.136 -2.926 244 HB3 GLN 29 3HB GLN 29 -5.753 7.388 -3.028 245 HG2 GLN 29 2HG GLN 29 -6.897 7.392 -0.829 246 HG3 GLN 29 3HG GLN 29 -6.714 9.146 -0.748 247 HE21 GLN 29 1HE2 GLN 29 -8.953 9.410 -0.598 248 HE22 GLN 29 2HE2 GLN 29 -9.999 9.187 -1.954 249 H PHE 30 H PHE 30 -2.306 9.663 -1.752 250 HA PHE 30 HA PHE 30 -0.876 8.193 -3.904 251 HB2 PHE 30 2HB PHE 30 -1.128 11.225 -3.647 252 HB3 PHE 30 3HB PHE 30 -0.212 10.368 -4.878 253 HD1 PHE 30 HD1 PHE 30 -3.598 11.310 -3.742 254 HD2 PHE 30 HD2 PHE 30 -1.345 9.298 -6.774 255 HE1 PHE 30 HE1 PHE 30 -5.587 11.272 -5.198 256 HE2 PHE 30 HE2 PHE 30 -3.336 9.268 -8.221 257 HZ PHE 30 HZ PHE 30 -5.453 10.252 -7.440 258 HA PRO 31 HA PRO 31 1.947 8.897 -0.207 259 HB2 PRO 31 2HB PRO 31 2.960 6.392 0.053 260 HB3 PRO 31 3HB PRO 31 1.342 6.805 0.649 261 HG2 PRO 31 2HG PRO 31 2.118 5.454 -1.938 262 HG3 PRO 31 3HG PRO 31 0.857 4.990 -0.774 263 HD2 PRO 31 2HD PRO 31 0.317 6.409 -3.063 264 HD3 PRO 31 3HD PRO 31 -0.650 6.583 -1.584 265 H HIS 32 H HIS 32 4.211 9.083 -0.087 266 HA HIS 32 HA HIS 32 5.670 9.324 -2.581 267 HB2 HIS 32 2HB HIS 32 6.721 9.675 0.271 268 HB3 HIS 32 3HB HIS 32 7.459 10.289 -1.210 269 HD2 HIS 32 HD2 HIS 32 6.383 12.666 -2.196 270 HE1 HIS 32 HE1 HIS 32 3.508 13.094 0.878 271 HE2 HIS 32 HE2 HIS 32 4.721 14.261 -1.002 272 H ASP 33 H ASP 33 7.662 8.216 -3.094 273 HA ASP 33 HA ASP 33 7.748 5.449 -2.733 274 HB2 ASP 33 2HB ASP 33 9.877 7.430 -3.597 275 HB3 ASP 33 3HB ASP 33 10.206 5.699 -3.538 276 H SER 34 H SER 34 9.228 7.958 -0.746 277 HA SER 34 HA SER 34 10.872 6.370 0.924 278 HB2 SER 34 2HB SER 34 10.644 8.263 2.562 279 HB3 SER 34 3HB SER 34 11.011 8.825 0.928 280 HG SER 34 HG SER 34 9.164 9.804 2.284 281 H GLU 35 H GLU 35 7.464 7.387 1.325 282 HA GLU 35 HA GLU 35 6.888 5.963 3.717 283 HB2 GLU 35 2HB GLU 35 5.485 7.846 2.875 284 HB3 GLU 35 3HB GLU 35 4.961 6.857 1.519 285 HG2 GLU 35 2HG GLU 35 3.207 6.931 3.193 286 HG3 GLU 35 3HG GLU 35 3.849 5.293 3.098 287 H ILE 36 H ILE 36 6.748 5.053 0.322 288 HA ILE 36 HA ILE 36 5.415 2.560 0.596 289 HB ILE 36 HB ILE 36 7.280 3.599 -1.585 290 HG12 ILE 36 2HG1 ILE 36 4.226 3.372 -1.513 291 HG13 ILE 36 3HG1 ILE 36 5.126 4.860 -1.245 292 HG21 ILE 36 1HG2 ILE 36 7.286 1.139 -1.680 293 HG22 ILE 36 2HG2 ILE 36 6.402 1.804 -3.053 294 HG23 ILE 36 3HG2 ILE 36 5.520 1.118 -1.687 295 HD11 ILE 36 3HD1 ILE 36 5.053 3.272 -3.808 296 HD12 ILE 36 1HD1 ILE 36 5.965 4.761 -3.543 297 HD13 ILE 36 2HD1 ILE 36 4.204 4.781 -3.476 298 H ILE 37 H ILE 37 8.918 3.406 0.538 299 HA ILE 37 HA ILE 37 9.960 0.788 0.858 300 HB ILE 37 HB ILE 37 11.143 3.483 1.642 301 HG12 ILE 37 2HG1 ILE 37 11.766 1.646 -0.723 302 HG13 ILE 37 3HG1 ILE 37 10.760 3.087 -0.808 303 HG21 ILE 37 1HG2 ILE 37 13.362 2.365 1.824 304 HG22 ILE 37 2HG2 ILE 37 12.581 0.795 1.626 305 HG23 ILE 37 3HG2 ILE 37 12.233 1.780 3.047 306 HD11 ILE 37 3HD1 ILE 37 12.977 3.500 -1.682 307 HD12 ILE 37 1HD1 ILE 37 13.703 3.021 -0.149 308 HD13 ILE 37 2HD1 ILE 37 12.696 4.470 -0.236 309 H ARG 38 H ARG 38 8.924 3.202 3.266 310 HA ARG 38 HA ARG 38 9.478 1.906 5.672 311 HB2 ARG 38 2HB ARG 38 8.441 4.198 5.453 312 HB3 ARG 38 3HB ARG 38 6.928 3.449 4.973 313 HG2 ARG 38 2HG ARG 38 6.536 3.899 7.223 314 HG3 ARG 38 3HG ARG 38 7.068 2.217 7.293 315 HD2 ARG 38 2HD ARG 38 8.184 3.441 9.056 316 HD3 ARG 38 3HD ARG 38 9.390 3.044 7.826 317 HE ARG 38 HE ARG 38 8.190 5.625 7.441 318 HH11 ARG 38 1HH1 ARG 38 10.778 4.010 9.088 319 HH12 ARG 38 2HH1 ARG 38 11.651 5.478 9.339 320 HH21 ARG 38 1HH2 ARG 38 9.337 7.459 7.753 321 HH22 ARG 38 2HH2 ARG 38 10.848 7.405 8.591 322 H LEU 39 H LEU 39 6.496 1.664 3.710 323 HA LEU 39 HA LEU 39 5.191 -0.388 5.112 324 HB2 LEU 39 2HB LEU 39 4.945 0.382 2.182 325 HB3 LEU 39 3HB LEU 39 3.822 -0.675 3.030 326 HG LEU 39 HG LEU 39 4.293 2.267 3.671 327 HD11 LEU 39 1HD1 LEU 39 1.934 0.954 2.282 328 HD12 LEU 39 2HD1 LEU 39 3.165 1.959 1.514 329 HD13 LEU 39 3HD1 LEU 39 2.079 2.661 2.708 330 HD21 LEU 39 3HD2 LEU 39 2.254 0.338 4.857 331 HD22 LEU 39 1HD2 LEU 39 2.344 2.073 5.173 332 HD23 LEU 39 2HD2 LEU 39 3.654 1.018 5.691 333 H MET 40 H MET 40 7.547 -0.569 2.459 334 HA MET 40 HA MET 40 7.255 -3.248 1.664 335 HB2 MET 40 2HB MET 40 9.667 -1.398 1.591 336 HB3 MET 40 3HB MET 40 9.717 -3.017 0.908 337 HG2 MET 40 2HG MET 40 8.048 -2.453 -0.732 338 HG3 MET 40 3HG MET 40 7.750 -0.894 0.030 339 HE1 MET 40 3HE MET 40 11.320 -2.534 -0.523 340 HE2 MET 40 1HE MET 40 11.722 -1.900 -2.119 341 HE3 MET 40 2HE MET 40 10.404 -3.058 -1.937 342 H LYS 41 H LYS 41 9.270 -1.825 4.214 343 HA LYS 41 HA LYS 41 10.485 -4.326 5.007 344 HB2 LYS 41 2HB LYS 41 10.457 -1.601 6.364 345 HB3 LYS 41 3HB LYS 41 11.458 -2.965 6.869 346 HG2 LYS 41 2HG LYS 41 12.638 -2.914 4.700 347 HG3 LYS 41 3HG LYS 41 11.615 -1.576 4.164 348 HD2 LYS 41 2HD LYS 41 12.541 -0.135 5.930 349 HD3 LYS 41 3HD LYS 41 13.516 -1.475 6.542 350 HE2 LYS 41 2HE LYS 41 14.759 -1.538 4.400 351 HE3 LYS 41 3HE LYS 41 13.784 -0.197 3.794 352 HZ1 LYS 41 3HZ LYS 41 14.671 1.194 5.536 353 HZ2 LYS 41 1HZ LYS 41 15.926 0.538 4.620 354 HZ3 LYS 41 2HZ LYS 41 15.582 -0.088 6.152 355 H ILE 42 H ILE 42 7.710 -2.409 6.088 356 HA ILE 42 HA ILE 42 7.228 -3.836 8.542 357 HB ILE 42 HB ILE 42 5.387 -2.046 6.887 358 HG12 ILE 42 2HG1 ILE 42 7.339 -0.840 7.788 359 HG13 ILE 42 3HG1 ILE 42 5.879 -0.307 8.610 360 HG21 ILE 42 1HG2 ILE 42 3.975 -3.507 8.250 361 HG22 ILE 42 2HG2 ILE 42 3.920 -1.864 8.886 362 HG23 ILE 42 3HG2 ILE 42 4.890 -3.092 9.702 363 HD11 ILE 42 3HD1 ILE 42 6.480 -1.729 10.536 364 HD12 ILE 42 1HD1 ILE 42 7.701 -0.516 10.164 365 HD13 ILE 42 2HD1 ILE 42 7.968 -2.195 9.705 366 H THR 43 H THR 43 6.089 -4.225 5.223 367 HA THR 43 HA THR 43 4.107 -6.275 5.950 368 HB THR 43 HB THR 43 3.270 -6.051 3.632 369 HG1 THR 43 HG1 THR 43 4.688 -3.847 2.883 370 HG21 THR 43 3HG2 THR 43 3.663 -3.323 4.921 371 HG22 THR 43 1HG2 THR 43 2.378 -4.469 5.315 372 HG23 THR 43 2HG2 THR 43 2.440 -3.728 3.714 373 H GLY 44 H GLY 44 6.832 -5.827 3.667 374 HA2 GLY 44 2HA GLY 44 8.411 -7.671 3.247 375 HA3 GLY 44 3HA GLY 44 7.050 -8.782 3.291 376 H LEU 45 H LEU 45 5.861 -6.165 1.779 377 HA LEU 45 HA LEU 45 5.940 -7.327 -0.867 378 HB2 LEU 45 2HB LEU 45 4.681 -4.766 0.187 379 HB3 LEU 45 3HB LEU 45 4.412 -5.422 -1.422 380 HG LEU 45 HG LEU 45 3.616 -6.799 1.180 381 HD11 LEU 45 1HD1 LEU 45 2.256 -4.810 0.767 382 HD12 LEU 45 2HD1 LEU 45 1.306 -6.278 0.555 383 HD13 LEU 45 3HD1 LEU 45 1.874 -5.384 -0.860 384 HD21 LEU 45 3HD2 LEU 45 3.042 -7.610 -1.698 385 HD22 LEU 45 1HD2 LEU 45 2.404 -8.400 -0.252 386 HD23 LEU 45 2HD2 LEU 45 4.133 -8.435 -0.581 387 H THR 46 H THR 46 6.419 -6.025 -2.818 388 HA THR 46 HA THR 46 8.801 -4.290 -2.562 389 HB THR 46 HB THR 46 8.974 -4.527 -5.035 390 HG1 THR 46 HG1 THR 46 7.329 -6.360 -5.744 391 HG21 THR 46 3HG2 THR 46 10.056 -6.270 -3.658 392 HG22 THR 46 1HG2 THR 46 9.447 -6.947 -5.164 393 HG23 THR 46 2HG2 THR 46 8.560 -7.213 -3.659 394 H LYS 47 H LYS 47 8.832 -2.363 -4.205 395 HA LYS 47 HA LYS 47 6.706 -0.556 -3.886 396 HB2 LYS 47 2HB LYS 47 8.937 -0.657 -5.945 397 HB3 LYS 47 3HB LYS 47 7.766 0.654 -5.894 398 HG2 LYS 47 2HG LYS 47 8.503 1.081 -3.503 399 HG3 LYS 47 3HG LYS 47 9.812 -0.071 -3.780 400 HD2 LYS 47 2HD LYS 47 10.750 1.317 -5.527 401 HD3 LYS 47 3HD LYS 47 9.351 2.391 -5.504 402 HE2 LYS 47 2HE LYS 47 9.961 3.072 -3.180 403 HE3 LYS 47 3HE LYS 47 11.406 2.062 -3.292 404 HZ1 LYS 47 3HZ LYS 47 11.904 4.361 -3.781 405 HZ2 LYS 47 1HZ LYS 47 10.762 4.383 -5.031 406 HZ3 LYS 47 2HZ LYS 47 12.142 3.414 -5.159 407 H GLY 48 H GLY 48 7.349 -2.941 -6.440 408 HA2 GLY 48 2HA GLY 48 5.357 -2.249 -8.305 409 HA3 GLY 48 3HA GLY 48 6.009 -3.861 -8.070 410 H GLU 49 H GLU 49 5.199 -4.619 -5.640 411 HA GLU 49 HA GLU 49 2.539 -5.446 -5.834 412 HB2 GLU 49 2HB GLU 49 4.390 -5.173 -3.435 413 HB3 GLU 49 3HB GLU 49 2.788 -5.892 -3.295 414 HG2 GLU 49 2HG GLU 49 4.940 -6.938 -5.164 415 HG3 GLU 49 3HG GLU 49 4.691 -7.525 -3.517 416 H ILE 50 H ILE 50 3.861 -2.661 -4.058 417 HA ILE 50 HA ILE 50 1.388 -1.935 -2.772 418 HB ILE 50 HB ILE 50 4.037 -0.435 -3.019 419 HG12 ILE 50 2HG1 ILE 50 2.871 -2.128 -0.748 420 HG13 ILE 50 3HG1 ILE 50 4.183 -2.614 -1.813 421 HG21 ILE 50 1HG2 ILE 50 1.687 0.206 -1.190 422 HG22 ILE 50 2HG2 ILE 50 2.241 1.187 -2.548 423 HG23 ILE 50 3HG2 ILE 50 3.272 0.981 -1.132 424 HD11 ILE 50 3HD1 ILE 50 5.592 -0.851 -0.862 425 HD12 ILE 50 1HD1 ILE 50 5.001 -1.964 0.370 426 HD13 ILE 50 2HD1 ILE 50 4.269 -0.368 0.202 427 H LYS 51 H LYS 51 3.222 -0.550 -5.530 428 HA LYS 51 HA LYS 51 1.524 1.606 -6.163 429 HB2 LYS 51 2HB LYS 51 3.491 0.007 -7.828 430 HB3 LYS 51 3HB LYS 51 2.530 1.278 -8.573 431 HG2 LYS 51 2HG LYS 51 4.454 1.678 -6.253 432 HG3 LYS 51 3HG LYS 51 4.801 2.038 -7.950 433 HD2 LYS 51 2HD LYS 51 2.832 3.649 -7.907 434 HD3 LYS 51 3HD LYS 51 2.734 3.380 -6.164 435 HE2 LYS 51 2HE LYS 51 3.944 5.444 -6.621 436 HE3 LYS 51 3HE LYS 51 5.048 4.260 -5.927 437 HZ1 LYS 51 3HZ LYS 51 4.804 4.889 -8.810 438 HZ2 LYS 51 1HZ LYS 51 5.887 3.788 -8.123 439 HZ3 LYS 51 2HZ LYS 51 6.026 5.438 -7.786 440 H LYS 52 H LYS 52 1.487 -1.749 -7.383 441 HA LYS 52 HA LYS 52 -0.732 -1.441 -9.141 442 HB2 LYS 52 2HB LYS 52 0.398 -3.959 -7.852 443 HB3 LYS 52 3HB LYS 52 -0.829 -3.960 -9.118 444 HG2 LYS 52 2HG LYS 52 2.004 -2.892 -9.391 445 HG3 LYS 52 3HG LYS 52 1.419 -4.444 -10.001 446 HD2 LYS 52 2HD LYS 52 -0.128 -3.268 -11.529 447 HD3 LYS 52 3HD LYS 52 0.416 -1.709 -10.902 448 HE2 LYS 52 2HE LYS 52 2.691 -2.155 -11.755 449 HE3 LYS 52 3HE LYS 52 2.163 -3.728 -12.358 450 HZ1 LYS 52 3HZ LYS 52 1.132 -1.098 -13.259 451 HZ2 LYS 52 1HZ LYS 52 0.633 -2.603 -13.841 452 HZ3 LYS 52 2HZ LYS 52 2.217 -2.079 -14.105 453 H TRP 53 H TRP 53 -0.489 -2.254 -5.685 454 HA TRP 53 HA TRP 53 -3.184 -3.034 -5.275 455 HB2 TRP 53 2HB TRP 53 -1.407 -3.411 -3.569 456 HB3 TRP 53 3HB TRP 53 -1.310 -1.676 -3.283 457 HD1 TRP 53 HD1 TRP 53 -3.586 -4.704 -2.590 458 HE1 TRP 53 HE1 TRP 53 -5.296 -4.064 -0.790 459 HE3 TRP 53 HE3 TRP 53 -2.583 0.302 -2.202 460 HZ2 TRP 53 HZ2 TRP 53 -6.126 -1.777 0.608 461 HZ3 TRP 53 HZ3 TRP 53 -3.891 1.652 -0.614 462 HH2 TRP 53 HH2 TRP 53 -5.631 0.631 0.767 463 H PHE 54 H PHE 54 -1.606 0.177 -4.849 464 HA PHE 54 HA PHE 54 -3.948 1.658 -4.257 465 HB2 PHE 54 2HB PHE 54 -1.189 2.447 -5.225 466 HB3 PHE 54 3HB PHE 54 -2.455 3.661 -5.135 467 HD1 PHE 54 HD2 PHE 54 -3.364 4.385 -2.969 468 HD2 PHE 54 HD1 PHE 54 -0.191 1.528 -3.154 469 HE1 PHE 54 HE2 PHE 54 -2.907 4.726 -0.580 470 HE2 PHE 54 HE1 PHE 54 0.253 1.873 -0.758 471 HZ PHE 54 HZ PHE 54 -1.108 3.471 0.533 472 H SER 55 H SER 55 -2.479 0.739 -7.328 473 HA SER 55 HA SER 55 -3.939 2.355 -9.116 474 HB2 SER 55 2HB SER 55 -2.023 1.042 -9.888 475 HB3 SER 55 3HB SER 55 -2.848 -0.466 -9.501 476 HG SER 55 HG SER 55 -3.952 -0.332 -11.294 477 H ASP 56 H ASP 56 -4.691 -0.957 -7.945 478 HA ASP 56 HA ASP 56 -7.284 -1.068 -9.197 479 HB2 ASP 56 2HB ASP 56 -5.976 -2.859 -7.111 480 HB3 ASP 56 3HB ASP 56 -7.553 -3.193 -7.825 481 H THR 57 H THR 57 -6.163 -0.052 -6.020 482 HA THR 57 HA THR 57 -8.685 -0.269 -4.661 483 HB THR 57 HB THR 57 -6.173 1.266 -3.860 484 HG1 THR 57 HG1 THR 57 -5.560 -0.702 -3.391 485 HG21 THR 57 3HG2 THR 57 -8.595 0.590 -2.144 486 HG22 THR 57 1HG2 THR 57 -8.140 2.210 -2.672 487 HG23 THR 57 2HG2 THR 57 -7.094 1.317 -1.567 488 H ARG 58 H ARG 58 -6.927 2.534 -6.101 489 HA ARG 58 HA ARG 58 -8.833 4.529 -5.516 490 HB2 ARG 58 2HB ARG 58 -6.979 4.314 -7.919 491 HB3 ARG 58 3HB ARG 58 -7.884 5.767 -7.496 492 HG2 ARG 58 2HG ARG 58 -6.628 5.984 -5.404 493 HG3 ARG 58 3HG ARG 58 -5.783 4.465 -5.724 494 HD2 ARG 58 2HD ARG 58 -4.888 5.534 -7.858 495 HD3 ARG 58 3HD ARG 58 -5.551 7.065 -7.284 496 HE ARG 58 HE ARG 58 -4.056 6.785 -5.304 497 HH11 ARG 58 1HH1 ARG 58 -3.194 5.186 -8.260 498 HH12 ARG 58 2HH1 ARG 58 -1.506 5.221 -7.895 499 HH21 ARG 58 1HH2 ARG 58 -1.888 6.816 -4.888 500 HH22 ARG 58 2HH2 ARG 58 -0.792 6.095 -6.009 501 H TYR 59 H TYR 59 -8.716 2.160 -8.141 502 HA TYR 59 HA TYR 59 -10.962 3.084 -9.645 503 HB2 TYR 59 2HB TYR 59 -9.301 1.630 -10.679 504 HB3 TYR 59 3HB TYR 59 -9.609 0.355 -9.507 505 HD1 TYR 59 HD2 TYR 59 -11.300 2.309 -12.237 506 HD2 TYR 59 HD1 TYR 59 -11.194 -1.355 -10.043 507 HE1 TYR 59 HE2 TYR 59 -12.999 1.362 -13.740 508 HE2 TYR 59 HE1 TYR 59 -12.898 -2.298 -11.539 509 HH TYR 59 HH TYR 59 -14.613 -1.611 -13.058 510 H ASN 60 H ASN 60 -10.647 0.396 -7.291 511 HA ASN 60 HA ASN 60 -13.293 -0.564 -7.493 512 HB2 ASN 60 2HB ASN 60 -11.444 -1.972 -6.720 513 HB3 ASN 60 3HB ASN 60 -11.205 -0.951 -5.309 514 HD21 ASN 60 1HD2 ASN 60 -12.625 -1.162 -3.555 515 HD22 ASN 60 2HD2 ASN 60 -13.732 -2.478 -3.412 516 H GLN 61 H GLN 61 -11.774 1.622 -5.148 517 HA GLN 61 HA GLN 61 -13.982 1.867 -3.375 518 HB2 GLN 61 2HB GLN 61 -11.315 3.201 -3.685 519 HB3 GLN 61 3HB GLN 61 -12.518 4.090 -2.770 520 HG2 GLN 61 2HG GLN 61 -11.006 2.734 -1.337 521 HG3 GLN 61 3HG GLN 61 -12.707 2.340 -1.135 522 HE21 GLN 61 1HE2 GLN 61 -12.219 0.329 -0.224 523 HE22 GLN 61 2HE2 GLN 61 -11.602 -0.992 -1.147 524 H ARG 62 H ARG 62 -13.374 3.441 -6.433 525 HA ARG 62 HA ARG 62 -15.556 5.391 -5.895 526 HB2 ARG 62 2HB ARG 62 -14.771 6.708 -7.743 527 HB3 ARG 62 3HB ARG 62 -13.384 6.316 -6.731 528 HG2 ARG 62 2HG ARG 62 -12.733 4.538 -8.345 529 HG3 ARG 62 3HG ARG 62 -14.100 4.988 -9.371 530 HD2 ARG 62 2HD ARG 62 -13.146 7.251 -9.645 531 HD3 ARG 62 3HD ARG 62 -11.778 6.798 -8.616 532 HE ARG 62 HE ARG 62 -11.903 4.951 -10.704 533 HH11 ARG 62 1HH1 ARG 62 -11.282 8.330 -10.355 534 HH12 ARG 62 2HH1 ARG 62 -10.287 8.393 -11.765 535 HH21 ARG 62 1HH2 ARG 62 -10.650 5.075 -12.513 536 HH22 ARG 62 2HH2 ARG 62 -9.951 6.588 -12.965 537 H ASN 63 H ASN 63 -14.813 2.534 -7.719 538 HA ASN 63 HA ASN 63 -17.186 2.722 -9.443 539 HB2 ASN 63 2HB ASN 63 -15.076 1.832 -10.430 540 HB3 ASN 63 3HB ASN 63 -15.042 0.551 -9.221 541 HD21 ASN 63 1HD2 ASN 63 -15.189 -1.155 -10.661 542 HD22 ASN 63 2HD2 ASN 63 -16.582 -1.467 -11.630 543 H SER 64 H SER 64 -18.975 2.450 -8.140 544 HA SER 64 HA SER 64 -19.143 0.652 -5.921 545 HB2 SER 64 2HB SER 64 -21.595 1.245 -5.948 546 HB3 SER 64 3HB SER 64 -20.538 2.653 -5.958 547 HG SER 64 HG SER 64 -22.033 1.560 -8.095 548 H LYS 65 H LYS 65 -18.603 -1.407 -6.622 549 HA LYS 65 HA LYS 65 -19.930 -2.792 -8.765 550 HB2 LYS 65 2HB LYS 65 -17.605 -3.315 -8.054 551 HB3 LYS 65 3HB LYS 65 -18.205 -3.872 -6.494 552 HG2 LYS 65 2HG LYS 65 -19.364 -5.738 -7.551 553 HG3 LYS 65 3HG LYS 65 -18.941 -5.135 -9.155 554 HD2 LYS 65 2HD LYS 65 -16.532 -5.520 -8.648 555 HD3 LYS 65 3HD LYS 65 -16.979 -6.147 -7.057 556 HE2 LYS 65 2HE LYS 65 -17.804 -7.361 -9.724 557 HE3 LYS 65 3HE LYS 65 -16.528 -7.972 -8.668 558 HZ1 LYS 65 3HZ LYS 65 -18.588 -9.194 -8.388 559 HZ2 LYS 65 1HZ LYS 65 -19.411 -7.782 -7.953 560 HZ3 LYS 65 2HZ LYS 65 -18.181 -8.387 -6.962 561 H SER 66 H SER 66 -20.543 -2.371 -5.341 562 HA SER 66 HA SER 66 -22.347 -4.493 -4.836 563 HB2 SER 66 2HB SER 66 -22.262 -1.725 -3.546 564 HB3 SER 66 3HB SER 66 -23.077 -3.144 -2.881 565 HG SER 66 HG SER 66 -20.602 -3.876 -3.389 566 H ASN 67 H ASN 67 -24.201 -4.851 -5.882 567 HA ASN 67 HA ASN 67 -26.140 -4.679 -7.008 568 HB2 ASN 67 2HB ASN 67 -26.911 -3.596 -4.896 569 HB3 ASN 67 3HB ASN 67 -26.466 -2.021 -5.543 570 HD21 ASN 67 1HD2 ASN 67 -28.576 -1.252 -5.346 571 HD22 ASN 67 2HD2 ASN 67 -29.854 -1.763 -6.390 572 H GLN 68 H GLN 68 -24.864 -4.563 -8.964 573 HA GLN 68 HA GLN 68 -24.300 -2.059 -10.280 574 HB2 GLN 68 2HB GLN 68 -22.883 -4.005 -10.723 575 HB3 GLN 68 3HB GLN 68 -24.262 -4.940 -11.286 576 HG2 GLN 68 2HG GLN 68 -24.492 -3.495 -13.252 577 HG3 GLN 68 3HG GLN 68 -23.182 -2.463 -12.677 578 HE21 GLN 68 1HE2 GLN 68 -23.968 -5.602 -14.046 579 HE22 GLN 68 2HE2 GLN 68 -22.361 -5.997 -14.542 580 H CYS 69 H CYS 69 -26.513 -4.755 -11.198 581 HA CYS 69 HA CYS 69 -28.631 -2.918 -11.998 582 HB2 CYS 69 2HB CYS 69 -27.248 -4.692 -14.061 583 HB3 CYS 69 3HB CYS 69 -28.802 -3.903 -14.322 584 HG CYS 69 HG CYS 69 -27.631 -1.948 -15.496 585 H LEU 70 H LEU 70 -30.635 -4.028 -12.592 586 HA LEU 70 HA LEU 70 -31.249 -6.244 -10.904 587 HB2 LEU 70 2HB LEU 70 -32.865 -4.875 -13.094 588 HB3 LEU 70 3HB LEU 70 -33.502 -6.199 -12.141 589 HG LEU 70 HG LEU 70 -34.393 -4.156 -11.250 590 HD11 LEU 70 1HD1 LEU 70 -33.687 -4.242 -8.916 591 HD12 LEU 70 2HD1 LEU 70 -32.244 -5.153 -9.362 592 HD13 LEU 70 3HD1 LEU 70 -33.845 -5.860 -9.596 593 HD21 LEU 70 3HD2 LEU 70 -32.755 -2.559 -12.122 594 HD22 LEU 70 1HD2 LEU 70 -31.568 -3.095 -10.932 595 HD23 LEU 70 2HD2 LEU 70 -33.049 -2.288 -10.407 596 H HIS 71 H HIS 71 -30.837 -5.919 -14.432 597 HA HIS 71 HA HIS 71 -30.218 -7.320 -16.077 598 HB2 HIS 71 2HB HIS 71 -28.457 -7.950 -14.313 599 HB3 HIS 71 3HB HIS 71 -29.430 -9.373 -13.966 600 HD1 HIS 71 HD1 HIS 71 -28.496 -11.369 -15.109 601 HD2 HIS 71 HD2 HIS 71 -27.913 -7.932 -17.363 602 HE1 HIS 71 HE1 HIS 71 -27.261 -12.109 -17.153 603 HE2 HIS 71 HE2 HIS 71 -27.169 -10.066 -18.601 604 H LEU 72 H LEU 72 -32.939 -7.518 -14.775 605 HA LEU 72 HA LEU 72 -33.919 -10.210 -15.172 606 HB2 LEU 72 2HB LEU 72 -34.772 -8.475 -13.487 607 HB3 LEU 72 3HB LEU 72 -35.545 -7.654 -14.825 608 HG LEU 72 HG LEU 72 -36.210 -10.546 -14.117 609 HD11 LEU 72 1HD1 LEU 72 -37.600 -8.073 -13.029 610 HD12 LEU 72 2HD1 LEU 72 -36.610 -9.205 -12.103 611 HD13 LEU 72 3HD1 LEU 72 -38.130 -9.746 -12.810 612 HD21 LEU 72 3HD2 LEU 72 -37.799 -8.451 -15.648 613 HD22 LEU 72 1HD2 LEU 72 -38.352 -10.084 -15.261 614 HD23 LEU 72 2HD2 LEU 72 -36.980 -9.853 -16.339 615 H ASN 73 H ASN 73 -34.678 -11.057 -17.020 616 HA ASN 73 HA ASN 73 -35.337 -11.406 -19.163 617 HB2 ASN 73 2HB ASN 73 -37.170 -9.797 -18.563 618 HB3 ASN 73 3HB ASN 73 -36.188 -8.470 -19.174 619 HD21 ASN 73 1HD2 ASN 73 -38.064 -11.303 -20.063 620 HD22 ASN 73 2HD2 ASN 73 -38.240 -10.894 -21.733 621 H ASN 74 H ASN 74 -32.670 -9.787 -18.371 622 HA ASN 74 HA ASN 74 -31.801 -9.105 -21.124 623 HB2 ASN 74 2HB ASN 74 -31.593 -7.293 -19.427 624 HB3 ASN 74 3HB ASN 74 -30.548 -8.321 -18.452 625 HD21 ASN 74 1HD2 ASN 74 -30.802 -6.551 -21.472 626 HD22 ASN 74 2HD2 ASN 74 -29.106 -6.450 -21.773 Start of MODEL 11 1 H1 SER 1 1H SER 1 -7.417 -38.773 7.721 2 H2 SER 1 2H SER 1 -5.726 -38.759 7.784 3 H3 SER 1 3H SER 1 -6.521 -39.602 6.553 4 HA SER 1 HA SER 1 -6.592 -36.670 6.963 5 HB2 SER 1 2HB SER 1 -5.097 -38.289 4.849 6 HB3 SER 1 3HB SER 1 -5.179 -36.527 4.915 7 HG SER 1 HG SER 1 -3.307 -37.821 5.939 8 H HIS 2 H HIS 2 -8.385 -35.789 6.133 9 HA HIS 2 HA HIS 2 -10.253 -37.272 4.480 10 HB2 HIS 2 2HB HIS 2 -11.046 -35.834 6.315 11 HB3 HIS 2 3HB HIS 2 -10.311 -34.425 5.566 12 HD1 HIS 2 HD1 HIS 2 -12.005 -32.991 4.457 13 HD2 HIS 2 HD2 HIS 2 -13.115 -36.996 4.355 14 HE1 HIS 2 HE1 HIS 2 -14.250 -33.036 3.357 15 HE2 HIS 2 HE2 HIS 2 -14.972 -35.433 3.472 16 H MET 3 H MET 3 -8.506 -34.153 4.087 17 HA MET 3 HA MET 3 -8.377 -34.567 1.142 18 HB2 MET 3 2HB MET 3 -8.808 -31.918 2.615 19 HB3 MET 3 3HB MET 3 -8.508 -32.057 0.888 20 HG2 MET 3 2HG MET 3 -10.626 -33.288 0.621 21 HG3 MET 3 3HG MET 3 -10.918 -33.148 2.358 22 HE1 MET 3 3HE MET 3 -13.345 -32.016 1.795 23 HE2 MET 3 1HE MET 3 -13.001 -32.144 0.068 24 HE3 MET 3 2HE MET 3 -13.517 -30.604 0.755 25 HA PRO 4 HA PRO 4 -3.928 -34.164 1.862 26 HB2 PRO 4 2HB PRO 4 -3.594 -33.365 -0.991 27 HB3 PRO 4 3HB PRO 4 -3.016 -34.814 -0.160 28 HG2 PRO 4 2HG PRO 4 -5.032 -34.935 -1.956 29 HG3 PRO 4 3HG PRO 4 -5.003 -35.981 -0.520 30 HD2 PRO 4 2HD PRO 4 -6.555 -33.421 -0.962 31 HD3 PRO 4 3HD PRO 4 -7.107 -34.969 -0.279 32 H ASP 5 H ASP 5 -3.392 -32.405 3.106 33 HA ASP 5 HA ASP 5 -4.195 -29.751 2.636 34 HB2 ASP 5 2HB ASP 5 -3.710 -30.590 4.882 35 HB3 ASP 5 3HB ASP 5 -2.017 -30.830 4.464 36 H SER 6 H SER 6 -3.341 -28.072 1.569 37 HA SER 6 HA SER 6 -0.576 -28.049 0.571 38 HB2 SER 6 2HB SER 6 -1.823 -29.176 -1.225 39 HB3 SER 6 3HB SER 6 -3.029 -27.890 -1.250 40 HG SER 6 HG SER 6 -1.517 -27.593 -2.908 41 H PHE 7 H PHE 7 0.242 -26.051 0.835 42 HA PHE 7 HA PHE 7 -1.260 -23.609 0.438 43 HB2 PHE 7 2HB PHE 7 -1.950 -24.190 2.757 44 HB3 PHE 7 3HB PHE 7 -0.266 -24.307 3.250 45 HD1 PHE 7 HD1 PHE 7 -2.787 -21.882 1.881 46 HD2 PHE 7 HD2 PHE 7 0.831 -22.377 4.117 47 HE1 PHE 7 HE1 PHE 7 -2.804 -19.489 2.455 48 HE2 PHE 7 HE2 PHE 7 0.801 -19.985 4.682 49 HZ PHE 7 HZ PHE 7 -1.013 -18.540 3.853 50 H GLY 8 H GLY 8 0.095 -21.860 0.010 51 HA2 GLY 8 2HA GLY 8 2.815 -21.622 0.853 52 HA3 GLY 8 3HA GLY 8 2.737 -22.209 -0.806 53 H ILE 9 H ILE 9 3.597 -19.557 0.527 54 HA ILE 9 HA ILE 9 1.929 -17.623 -0.955 55 HB ILE 9 HB ILE 9 4.231 -17.010 0.978 56 HG12 ILE 9 2HG1 ILE 9 2.248 -16.173 2.503 57 HG13 ILE 9 3HG1 ILE 9 1.241 -17.238 1.531 58 HG21 ILE 9 1HG2 ILE 9 3.835 -15.211 -0.642 59 HG22 ILE 9 2HG2 ILE 9 3.349 -14.693 0.973 60 HG23 ILE 9 3HG2 ILE 9 2.124 -15.166 -0.207 61 HD11 ILE 9 3HD1 ILE 9 2.605 -19.147 2.238 62 HD12 ILE 9 1HD1 ILE 9 1.923 -18.279 3.615 63 HD13 ILE 9 2HD1 ILE 9 3.622 -18.062 3.192 64 H ARG 10 H ARG 10 2.747 -16.495 -2.714 65 HA ARG 10 HA ARG 10 5.598 -16.772 -3.446 66 HB2 ARG 10 2HB ARG 10 3.885 -18.483 -4.605 67 HB3 ARG 10 3HB ARG 10 3.541 -17.113 -5.645 68 HG2 ARG 10 2HG ARG 10 6.322 -18.283 -5.242 69 HG3 ARG 10 3HG ARG 10 5.229 -18.766 -6.538 70 HD2 ARG 10 2HD ARG 10 6.293 -15.949 -6.131 71 HD3 ARG 10 3HD ARG 10 6.956 -17.128 -7.265 72 HE ARG 10 HE ARG 10 4.232 -16.858 -7.807 73 HH11 ARG 10 1HH1 ARG 10 7.018 -14.822 -7.970 74 HH12 ARG 10 2HH1 ARG 10 6.437 -13.977 -9.355 75 HH21 ARG 10 1HH2 ARG 10 3.514 -15.749 -9.561 76 HH22 ARG 10 2HH2 ARG 10 4.479 -14.482 -10.241 77 H ALA 11 H ALA 11 2.504 -15.221 -4.506 78 HA ALA 11 HA ALA 11 3.779 -12.568 -4.517 79 HB1 ALA 11 3HB ALA 11 3.203 -12.109 -6.872 80 HB2 ALA 11 1HB ALA 11 2.586 -13.753 -7.064 81 HB3 ALA 11 2HB ALA 11 4.305 -13.480 -6.765 82 H LYS 12 H LYS 12 1.775 -13.530 -2.835 83 HA LYS 12 HA LYS 12 -0.699 -12.117 -3.697 84 HB2 LYS 12 2HB LYS 12 -0.380 -14.557 -1.896 85 HB3 LYS 12 3HB LYS 12 -1.889 -13.658 -2.046 86 HG2 LYS 12 2HG LYS 12 -2.091 -14.249 -4.387 87 HG3 LYS 12 3HG LYS 12 -0.483 -14.975 -4.391 88 HD2 LYS 12 2HD LYS 12 -2.237 -16.707 -4.314 89 HD3 LYS 12 3HD LYS 12 -1.244 -16.737 -2.856 90 HE2 LYS 12 2HE LYS 12 -3.025 -15.506 -1.632 91 HE3 LYS 12 3HE LYS 12 -4.018 -15.510 -3.093 92 HZ1 LYS 12 3HZ LYS 12 -3.979 -17.940 -3.026 93 HZ2 LYS 12 1HZ LYS 12 -4.672 -17.279 -1.633 94 HZ3 LYS 12 2HZ LYS 12 -3.099 -17.890 -1.584 95 H LYS 13 H LYS 13 -1.262 -10.387 -2.528 96 HA LYS 13 HA LYS 13 0.108 -9.542 -0.142 97 HB2 LYS 13 2HB LYS 13 -2.456 -8.393 -1.342 98 HB3 LYS 13 3HB LYS 13 -1.345 -7.579 -0.241 99 HG2 LYS 13 2HG LYS 13 0.402 -7.584 -1.996 100 HG3 LYS 13 3HG LYS 13 -0.707 -8.410 -3.097 101 HD2 LYS 13 2HD LYS 13 -2.263 -6.444 -2.914 102 HD3 LYS 13 3HD LYS 13 -1.047 -5.620 -1.933 103 HE2 LYS 13 2HE LYS 13 -0.925 -4.842 -4.240 104 HE3 LYS 13 3HE LYS 13 0.538 -5.742 -3.840 105 HZ1 LYS 13 3HZ LYS 13 -1.782 -6.775 -5.388 106 HZ2 LYS 13 1HZ LYS 13 -0.406 -7.676 -4.973 107 HZ3 LYS 13 2HZ LYS 13 -0.267 -6.349 -6.007 108 H THR 14 H THR 14 -0.276 -10.720 1.715 109 HA THR 14 HA THR 14 -2.784 -11.982 2.326 110 HB THR 14 HB THR 14 -1.835 -12.621 4.471 111 HG1 THR 14 HG1 THR 14 0.608 -11.456 4.346 112 HG21 THR 14 3HG2 THR 14 -0.960 -13.878 2.532 113 HG22 THR 14 1HG2 THR 14 0.270 -13.721 3.786 114 HG23 THR 14 2HG2 THR 14 0.347 -12.704 2.347 115 H LYS 15 H LYS 15 -3.994 -11.543 4.428 116 HA LYS 15 HA LYS 15 -5.317 -9.109 4.276 117 HB2 LYS 15 2HB LYS 15 -5.154 -11.127 6.535 118 HB3 LYS 15 3HB LYS 15 -6.187 -9.706 6.644 119 HG2 LYS 15 2HG LYS 15 -7.447 -10.445 4.660 120 HG3 LYS 15 3HG LYS 15 -6.398 -11.856 4.508 121 HD2 LYS 15 2HD LYS 15 -8.576 -12.416 5.577 122 HD3 LYS 15 3HD LYS 15 -7.211 -12.746 6.644 123 HE2 LYS 15 2HE LYS 15 -9.093 -11.702 7.861 124 HE3 LYS 15 3HE LYS 15 -7.661 -10.677 7.896 125 HZ1 LYS 15 3HZ LYS 15 -9.995 -10.322 6.090 126 HZ2 LYS 15 1HZ LYS 15 -8.631 -9.323 6.143 127 HZ3 LYS 15 2HZ LYS 15 -9.667 -9.410 7.476 128 H GLU 16 H GLU 16 -2.654 -9.950 6.481 129 HA GLU 16 HA GLU 16 -2.838 -7.525 8.049 130 HB2 GLU 16 2HB GLU 16 -0.703 -9.696 7.980 131 HB3 GLU 16 3HB GLU 16 -0.809 -8.420 9.195 132 HG2 GLU 16 2HG GLU 16 -2.952 -9.271 9.977 133 HG3 GLU 16 3HG GLU 16 -2.992 -10.468 8.685 134 H GLN 17 H GLN 17 -0.794 -8.600 5.352 135 HA GLN 17 HA GLN 17 1.010 -6.373 5.314 136 HB2 GLN 17 2HB GLN 17 0.121 -8.155 3.004 137 HB3 GLN 17 3HB GLN 17 1.528 -7.091 2.998 138 HG2 GLN 17 2HG GLN 17 2.532 -8.447 4.814 139 HG3 GLN 17 3HG GLN 17 1.140 -9.527 4.759 140 HE21 GLN 17 1HE2 GLN 17 4.071 -8.568 3.156 141 HE22 GLN 17 2HE2 GLN 17 4.092 -9.839 1.993 142 H LEU 18 H LEU 18 -1.934 -7.111 3.491 143 HA LEU 18 HA LEU 18 -2.243 -4.717 2.067 144 HB2 LEU 18 2HB LEU 18 -3.296 -6.951 1.605 145 HB3 LEU 18 3HB LEU 18 -4.377 -6.705 2.959 146 HG LEU 18 HG LEU 18 -4.352 -4.760 0.633 147 HD11 LEU 18 1HD1 LEU 18 -5.950 -7.343 0.720 148 HD12 LEU 18 2HD1 LEU 18 -4.640 -6.960 -0.398 149 HD13 LEU 18 3HD1 LEU 18 -6.147 -6.051 -0.470 150 HD21 LEU 18 3HD2 LEU 18 -6.701 -4.362 1.249 151 HD22 LEU 18 1HD2 LEU 18 -5.631 -4.066 2.612 152 HD23 LEU 18 2HD2 LEU 18 -6.575 -5.555 2.546 153 H ALA 19 H ALA 19 -3.150 -5.618 5.347 154 HA ALA 19 HA ALA 19 -4.977 -3.586 6.000 155 HB1 ALA 19 3HB ALA 19 -4.427 -4.097 8.348 156 HB2 ALA 19 1HB ALA 19 -3.009 -5.005 7.822 157 HB3 ALA 19 2HB ALA 19 -4.625 -5.570 7.397 158 H GLU 20 H GLU 20 -1.413 -3.629 6.391 159 HA GLU 20 HA GLU 20 -1.074 -1.030 7.459 160 HB2 GLU 20 2HB GLU 20 0.824 -2.675 5.737 161 HB3 GLU 20 3HB GLU 20 1.286 -1.219 6.608 162 HG2 GLU 20 2HG GLU 20 0.329 -3.809 7.853 163 HG3 GLU 20 3HG GLU 20 1.996 -3.243 7.784 164 H LEU 21 H LEU 21 -1.297 -2.175 4.119 165 HA LEU 21 HA LEU 21 -0.700 0.278 2.791 166 HB2 LEU 21 2HB LEU 21 -2.430 -2.008 1.773 167 HB3 LEU 21 3HB LEU 21 -1.656 -0.771 0.795 168 HG LEU 21 HG LEU 21 -0.284 -3.013 2.319 169 HD11 LEU 21 1HD1 LEU 21 0.393 -3.807 0.101 170 HD12 LEU 21 2HD1 LEU 21 -0.495 -2.486 -0.661 171 HD13 LEU 21 3HD1 LEU 21 -1.363 -3.731 0.245 172 HD21 LEU 21 3HD2 LEU 21 1.003 -0.754 0.749 173 HD22 LEU 21 1HD2 LEU 21 1.842 -2.186 1.361 174 HD23 LEU 21 2HD2 LEU 21 1.127 -1.039 2.487 175 H LYS 22 H LYS 22 -3.707 -1.178 3.980 176 HA LYS 22 HA LYS 22 -5.533 0.682 2.857 177 HB2 LYS 22 2HB LYS 22 -5.715 -1.567 4.788 178 HB3 LYS 22 3HB LYS 22 -6.868 -0.289 5.131 179 HG2 LYS 22 2HG LYS 22 -6.603 -1.773 2.493 180 HG3 LYS 22 3HG LYS 22 -7.864 -2.028 3.706 181 HD2 LYS 22 2HD LYS 22 -8.599 0.353 3.379 182 HD3 LYS 22 3HD LYS 22 -7.390 0.530 2.107 183 HE2 LYS 22 2HE LYS 22 -9.736 -1.399 2.050 184 HE3 LYS 22 3HE LYS 22 -9.650 0.138 1.196 185 HZ1 LYS 22 3HZ LYS 22 -7.941 -2.239 0.733 186 HZ2 LYS 22 1HZ LYS 22 -7.724 -0.741 -0.026 187 HZ3 LYS 22 2HZ LYS 22 -9.135 -1.631 -0.292 188 H VAL 23 H VAL 23 -4.002 0.519 6.069 189 HA VAL 23 HA VAL 23 -5.090 2.874 7.182 190 HB VAL 23 HB VAL 23 -2.369 1.594 7.742 191 HG11 VAL 23 1HG1 VAL 23 -2.424 3.897 8.602 192 HG12 VAL 23 2HG1 VAL 23 -2.468 2.754 9.942 193 HG13 VAL 23 3HG1 VAL 23 -3.947 3.577 9.436 194 HG21 VAL 23 3HG2 VAL 23 -3.505 0.479 9.651 195 HG22 VAL 23 1HG2 VAL 23 -4.226 0.015 8.108 196 HG23 VAL 23 2HG2 VAL 23 -5.043 1.182 9.145 197 H SER 24 H SER 24 -2.168 2.338 5.213 198 HA SER 24 HA SER 24 -1.200 4.996 5.092 199 HB2 SER 24 2HB SER 24 0.174 3.070 4.375 200 HB3 SER 24 3HB SER 24 -0.912 2.788 3.015 201 HG SER 24 HG SER 24 0.809 3.965 2.254 202 H TYR 25 H TYR 25 -3.614 3.297 3.110 203 HA TYR 25 HA TYR 25 -3.974 5.282 1.096 204 HB2 TYR 25 2HB TYR 25 -4.625 2.903 0.794 205 HB3 TYR 25 3HB TYR 25 -5.883 3.082 2.010 206 HD1 TYR 25 HD1 TYR 25 -4.818 4.259 -1.377 207 HD2 TYR 25 HD2 TYR 25 -8.074 3.900 1.371 208 HE1 TYR 25 HE1 TYR 25 -6.380 4.961 -3.133 209 HE2 TYR 25 HE2 TYR 25 -9.640 4.589 -0.397 210 HH TYR 25 HH TYR 25 -9.502 5.947 -2.565 211 H LEU 26 H LEU 26 -5.601 4.638 4.174 212 HA LEU 26 HA LEU 26 -7.751 6.474 3.970 213 HB2 LEU 26 2HB LEU 26 -6.367 5.325 6.422 214 HB3 LEU 26 3HB LEU 26 -7.864 6.243 6.485 215 HG LEU 26 HG LEU 26 -7.526 3.581 5.040 216 HD11 LEU 26 1HD1 LEU 26 -8.892 4.143 7.690 217 HD12 LEU 26 2HD1 LEU 26 -7.379 3.262 7.460 218 HD13 LEU 26 3HD1 LEU 26 -8.885 2.598 6.831 219 HD21 LEU 26 3HD2 LEU 26 -9.973 3.602 4.809 220 HD22 LEU 26 1HD2 LEU 26 -9.238 4.970 3.977 221 HD23 LEU 26 2HD2 LEU 26 -10.039 5.211 5.533 222 H LYS 27 H LYS 27 -4.427 6.862 5.062 223 HA LYS 27 HA LYS 27 -4.738 9.620 5.930 224 HB2 LYS 27 2HB LYS 27 -2.250 7.930 5.437 225 HB3 LYS 27 3HB LYS 27 -2.241 9.536 6.166 226 HG2 LYS 27 2HG LYS 27 -3.563 8.707 8.071 227 HG3 LYS 27 3HG LYS 27 -3.641 7.102 7.338 228 HD2 LYS 27 2HD LYS 27 -1.098 8.507 8.256 229 HD3 LYS 27 3HD LYS 27 -1.935 7.228 9.137 230 HE2 LYS 27 2HE LYS 27 -1.504 5.667 7.259 231 HE3 LYS 27 3HE LYS 27 -0.647 6.947 6.397 232 HZ1 LYS 27 3HZ LYS 27 0.897 5.516 7.504 233 HZ2 LYS 27 1HZ LYS 27 0.131 5.746 8.993 234 HZ3 LYS 27 2HZ LYS 27 0.933 7.034 8.244 235 H ASN 28 H ASN 28 -3.029 8.030 3.199 236 HA ASN 28 HA ASN 28 -3.583 10.323 1.469 237 HB2 ASN 28 2HB ASN 28 -1.119 10.144 0.596 238 HB3 ASN 28 3HB ASN 28 -1.441 11.034 2.067 239 HD21 ASN 28 1HD2 ASN 28 -1.133 7.466 1.815 240 HD22 ASN 28 2HD2 ASN 28 0.292 7.382 2.769 241 H GLN 29 H GLN 29 -4.400 9.681 -0.429 242 HA GLN 29 HA GLN 29 -4.353 6.887 -1.256 243 HB2 GLN 29 2HB GLN 29 -5.620 9.250 -2.698 244 HB3 GLN 29 3HB GLN 29 -5.945 7.548 -2.990 245 HG2 GLN 29 2HG GLN 29 -6.894 7.354 -0.694 246 HG3 GLN 29 3HG GLN 29 -6.615 9.079 -0.452 247 HE21 GLN 29 1HE2 GLN 29 -8.814 9.481 -0.120 248 HE22 GLN 29 2HE2 GLN 29 -9.966 9.449 -1.407 249 H PHE 30 H PHE 30 -2.418 9.609 -1.837 250 HA PHE 30 HA PHE 30 -1.025 8.296 -4.116 251 HB2 PHE 30 2HB PHE 30 -1.224 11.299 -3.567 252 HB3 PHE 30 3HB PHE 30 -0.330 10.561 -4.886 253 HD1 PHE 30 HD1 PHE 30 -3.771 11.168 -3.563 254 HD2 PHE 30 HD2 PHE 30 -1.430 10.019 -6.955 255 HE1 PHE 30 HE1 PHE 30 -5.756 11.360 -5.004 256 HE2 PHE 30 HE2 PHE 30 -3.424 10.211 -8.385 257 HZ PHE 30 HZ PHE 30 -5.584 10.874 -7.414 258 HA PRO 31 HA PRO 31 1.962 8.737 -0.435 259 HB2 PRO 31 2HB PRO 31 2.507 5.836 -0.852 260 HB3 PRO 31 3HB PRO 31 2.057 6.689 0.631 261 HG2 PRO 31 2HG PRO 31 0.311 5.062 -0.591 262 HG3 PRO 31 3HG PRO 31 -0.232 6.575 0.164 263 HD2 PRO 31 2HD PRO 31 0.375 6.047 -2.764 264 HD3 PRO 31 3HD PRO 31 -1.074 6.786 -2.038 265 H HIS 32 H HIS 32 4.147 9.086 -0.649 266 HA HIS 32 HA HIS 32 5.293 9.217 -3.277 267 HB2 HIS 32 2HB HIS 32 6.635 9.729 -0.584 268 HB3 HIS 32 3HB HIS 32 7.227 10.256 -2.159 269 HD2 HIS 32 HD2 HIS 32 5.069 12.006 -3.463 270 HE1 HIS 32 HE1 HIS 32 4.283 13.681 0.339 271 HE2 HIS 32 HE2 HIS 32 4.137 14.038 -2.158 272 H ASP 33 H ASP 33 7.558 8.407 -3.749 273 HA ASP 33 HA ASP 33 7.717 5.594 -3.647 274 HB2 ASP 33 2HB ASP 33 9.982 5.886 -4.643 275 HB3 ASP 33 3HB ASP 33 8.767 6.881 -5.436 276 H SER 34 H SER 34 9.277 8.058 -1.634 277 HA SER 34 HA SER 34 10.994 6.433 -0.095 278 HB2 SER 34 2HB SER 34 9.621 9.027 0.719 279 HB3 SER 34 3HB SER 34 11.028 8.316 1.516 280 HG SER 34 HG SER 34 11.545 9.980 -0.024 281 H GLU 35 H GLU 35 7.586 7.331 0.408 282 HA GLU 35 HA GLU 35 7.098 6.121 2.906 283 HB2 GLU 35 2HB GLU 35 5.495 7.667 1.832 284 HB3 GLU 35 3HB GLU 35 5.217 6.520 0.532 285 HG2 GLU 35 2HG GLU 35 3.326 6.404 1.968 286 HG3 GLU 35 3HG GLU 35 4.247 4.932 2.236 287 H ILE 36 H ILE 36 7.056 4.781 -0.383 288 HA ILE 36 HA ILE 36 5.864 2.276 0.258 289 HB ILE 36 HB ILE 36 7.662 2.834 -2.139 290 HG12 ILE 36 2HG1 ILE 36 5.935 4.564 -2.086 291 HG13 ILE 36 3HG1 ILE 36 5.578 3.436 -3.380 292 HG21 ILE 36 1HG2 ILE 36 6.345 1.067 -3.267 293 HG22 ILE 36 2HG2 ILE 36 5.436 0.791 -1.779 294 HG23 ILE 36 3HG2 ILE 36 7.165 0.446 -1.835 295 HD11 ILE 36 3HD1 ILE 36 4.205 3.544 -0.693 296 HD12 ILE 36 1HD1 ILE 36 3.841 2.405 -1.994 297 HD13 ILE 36 2HD1 ILE 36 3.571 4.129 -2.230 298 H ILE 37 H ILE 37 9.270 3.328 0.043 299 HA ILE 37 HA ILE 37 10.632 0.900 0.375 300 HB ILE 37 HB ILE 37 11.401 3.604 1.579 301 HG12 ILE 37 2HG1 ILE 37 11.073 3.763 -0.881 302 HG13 ILE 37 3HG1 ILE 37 12.765 3.977 -0.457 303 HG21 ILE 37 1HG2 ILE 37 13.163 1.185 1.017 304 HG22 ILE 37 2HG2 ILE 37 12.704 1.799 2.604 305 HG23 ILE 37 3HG2 ILE 37 13.742 2.765 1.560 306 HD11 ILE 37 3HD1 ILE 37 12.525 2.633 -2.452 307 HD12 ILE 37 1HD1 ILE 37 11.524 1.468 -1.589 308 HD13 ILE 37 2HD1 ILE 37 13.222 1.670 -1.152 309 H ARG 38 H ARG 38 9.405 3.135 2.833 310 HA ARG 38 HA ARG 38 9.946 1.703 5.188 311 HB2 ARG 38 2HB ARG 38 9.311 4.064 5.186 312 HB3 ARG 38 3HB ARG 38 7.737 3.681 4.501 313 HG2 ARG 38 2HG ARG 38 7.171 2.456 6.625 314 HG3 ARG 38 3HG ARG 38 8.709 3.003 7.301 315 HD2 ARG 38 2HD ARG 38 8.014 5.346 7.035 316 HD3 ARG 38 3HD ARG 38 6.501 4.827 6.280 317 HE ARG 38 HE ARG 38 7.176 4.116 9.074 318 HH11 ARG 38 1HH1 ARG 38 4.934 5.466 6.795 319 HH12 ARG 38 2HH1 ARG 38 3.728 5.736 8.005 320 HH21 ARG 38 1HH2 ARG 38 5.615 4.476 10.581 321 HH22 ARG 38 2HH2 ARG 38 4.111 5.179 10.108 322 H LEU 39 H LEU 39 6.988 1.739 3.159 323 HA LEU 39 HA LEU 39 5.419 -0.027 4.692 324 HB2 LEU 39 2HB LEU 39 5.281 0.705 1.749 325 HB3 LEU 39 3HB LEU 39 4.080 -0.313 2.530 326 HG LEU 39 HG LEU 39 4.671 2.575 3.315 327 HD11 LEU 39 1HD1 LEU 39 3.618 2.464 1.102 328 HD12 LEU 39 2HD1 LEU 39 2.508 3.134 2.296 329 HD13 LEU 39 3HD1 LEU 39 2.316 1.463 1.753 330 HD21 LEU 39 3HD2 LEU 39 2.647 2.404 4.708 331 HD22 LEU 39 1HD2 LEU 39 3.870 1.247 5.225 332 HD23 LEU 39 2HD2 LEU 39 2.478 0.699 4.286 333 H MET 40 H MET 40 7.833 -0.735 2.173 334 HA MET 40 HA MET 40 7.168 -3.482 1.772 335 HB2 MET 40 2HB MET 40 9.824 -2.050 1.374 336 HB3 MET 40 3HB MET 40 9.521 -3.708 0.875 337 HG2 MET 40 2HG MET 40 7.640 -2.796 -0.574 338 HG3 MET 40 3HG MET 40 8.279 -1.191 -0.233 339 HE1 MET 40 3HE MET 40 11.468 -1.812 -0.175 340 HE2 MET 40 1HE MET 40 10.754 -0.409 -0.976 341 HE3 MET 40 2HE MET 40 11.871 -1.454 -1.853 342 H LYS 41 H LYS 41 9.213 -1.821 4.098 343 HA LYS 41 HA LYS 41 10.429 -4.142 5.268 344 HB2 LYS 41 2HB LYS 41 10.140 -1.284 6.270 345 HB3 LYS 41 3HB LYS 41 11.107 -2.511 7.082 346 HG2 LYS 41 2HG LYS 41 11.589 -1.530 4.246 347 HG3 LYS 41 3HG LYS 41 12.451 -0.952 5.676 348 HD2 LYS 41 2HD LYS 41 13.270 -3.287 6.078 349 HD3 LYS 41 3HD LYS 41 12.481 -3.798 4.584 350 HE2 LYS 41 2HE LYS 41 13.950 -2.351 3.272 351 HE3 LYS 41 3HE LYS 41 14.658 -1.683 4.743 352 HZ1 LYS 41 3HZ LYS 41 14.856 -4.508 3.860 353 HZ2 LYS 41 1HZ LYS 41 15.530 -3.868 5.273 354 HZ3 LYS 41 2HZ LYS 41 16.082 -3.350 3.760 355 H ILE 42 H ILE 42 7.472 -2.326 5.933 356 HA ILE 42 HA ILE 42 6.966 -3.648 8.484 357 HB ILE 42 HB ILE 42 5.053 -1.857 6.913 358 HG12 ILE 42 2HG1 ILE 42 7.142 -0.601 7.342 359 HG13 ILE 42 3HG1 ILE 42 5.836 0.037 8.330 360 HG21 ILE 42 1HG2 ILE 42 5.089 -2.598 9.864 361 HG22 ILE 42 2HG2 ILE 42 3.932 -3.168 8.664 362 HG23 ILE 42 3HG2 ILE 42 3.964 -1.464 9.109 363 HD11 ILE 42 3HD1 ILE 42 8.078 -1.761 9.271 364 HD12 ILE 42 1HD1 ILE 42 6.745 -1.176 10.277 365 HD13 ILE 42 2HD1 ILE 42 7.893 -0.037 9.582 366 H THR 43 H THR 43 5.548 -3.733 5.200 367 HA THR 43 HA THR 43 3.540 -5.713 5.843 368 HB THR 43 HB THR 43 2.901 -5.634 3.468 369 HG1 THR 43 HG1 THR 43 4.608 -3.679 2.621 370 HG21 THR 43 3HG2 THR 43 3.506 -2.841 4.503 371 HG22 THR 43 1HG2 THR 43 2.063 -3.791 4.866 372 HG23 THR 43 2HG2 THR 43 2.362 -3.238 3.219 373 H GLY 44 H GLY 44 6.471 -5.683 3.769 374 HA2 GLY 44 2HA GLY 44 7.928 -7.612 3.534 375 HA3 GLY 44 3HA GLY 44 6.539 -8.665 3.760 376 H LEU 45 H LEU 45 5.389 -6.273 1.859 377 HA LEU 45 HA LEU 45 5.535 -7.796 -0.621 378 HB2 LEU 45 2HB LEU 45 4.140 -5.180 0.071 379 HB3 LEU 45 3HB LEU 45 3.930 -6.058 -1.438 380 HG LEU 45 HG LEU 45 3.196 -7.205 1.290 381 HD11 LEU 45 1HD1 LEU 45 0.852 -6.742 0.731 382 HD12 LEU 45 2HD1 LEU 45 1.356 -5.904 -0.740 383 HD13 LEU 45 3HD1 LEU 45 1.790 -5.253 0.843 384 HD21 LEU 45 3HD2 LEU 45 3.665 -8.908 -0.440 385 HD22 LEU 45 1HD2 LEU 45 2.475 -8.156 -1.508 386 HD23 LEU 45 2HD2 LEU 45 1.963 -8.897 0.011 387 H THR 46 H THR 46 5.714 -6.265 -2.716 388 HA THR 46 HA THR 46 8.463 -5.157 -2.575 389 HB THR 46 HB THR 46 8.658 -5.609 -4.947 390 HG1 THR 46 HG1 THR 46 6.648 -6.638 -5.958 391 HG21 THR 46 3HG2 THR 46 7.170 -7.947 -3.676 392 HG22 THR 46 1HG2 THR 46 8.900 -7.624 -3.526 393 HG23 THR 46 2HG2 THR 46 8.214 -8.038 -5.096 394 H LYS 47 H LYS 47 9.021 -3.383 -4.082 395 HA LYS 47 HA LYS 47 7.673 -0.983 -3.735 396 HB2 LYS 47 2HB LYS 47 10.051 -1.203 -4.413 397 HB3 LYS 47 3HB LYS 47 9.561 -1.787 -5.995 398 HG2 LYS 47 2HG LYS 47 10.232 0.507 -6.227 399 HG3 LYS 47 3HG LYS 47 8.478 0.448 -6.420 400 HD2 LYS 47 2HD LYS 47 8.221 1.199 -4.055 401 HD3 LYS 47 3HD LYS 47 9.978 1.293 -3.906 402 HE2 LYS 47 2HE LYS 47 8.255 2.937 -5.793 403 HE3 LYS 47 3HE LYS 47 8.995 3.511 -4.300 404 HZ1 LYS 47 3HZ LYS 47 10.259 4.157 -6.264 405 HZ2 LYS 47 1HZ LYS 47 10.489 2.535 -6.677 406 HZ3 LYS 47 2HZ LYS 47 11.168 3.149 -5.257 407 H GLY 48 H GLY 48 7.573 -3.190 -6.520 408 HA2 GLY 48 2HA GLY 48 5.776 -1.767 -8.172 409 HA3 GLY 48 3HA GLY 48 6.119 -3.486 -8.258 410 H GLU 49 H GLU 49 5.159 -4.520 -5.962 411 HA GLU 49 HA GLU 49 2.430 -4.868 -6.398 412 HB2 GLU 49 2HB GLU 49 4.239 -5.514 -4.053 413 HB3 GLU 49 3HB GLU 49 2.513 -5.825 -3.914 414 HG2 GLU 49 2HG GLU 49 4.218 -6.959 -6.150 415 HG3 GLU 49 3HG GLU 49 3.957 -7.790 -4.617 416 H ILE 50 H ILE 50 3.990 -2.792 -3.959 417 HA ILE 50 HA ILE 50 1.556 -2.095 -2.623 418 HB ILE 50 HB ILE 50 4.347 -0.895 -2.485 419 HG12 ILE 50 2HG1 ILE 50 2.846 -2.790 -0.610 420 HG13 ILE 50 3HG1 ILE 50 4.141 -3.252 -1.707 421 HG21 ILE 50 1HG2 ILE 50 1.978 -0.271 -0.685 422 HG22 ILE 50 2HG2 ILE 50 2.780 0.848 -1.786 423 HG23 ILE 50 3HG2 ILE 50 3.644 0.228 -0.382 424 HD11 ILE 50 3HD1 ILE 50 4.390 -1.472 0.714 425 HD12 ILE 50 1HD1 ILE 50 5.703 -1.858 -0.404 426 HD13 ILE 50 2HD1 ILE 50 4.950 -3.136 0.549 427 H LYS 51 H LYS 51 3.679 -0.136 -4.815 428 HA LYS 51 HA LYS 51 2.024 2.109 -5.156 429 HB2 LYS 51 2HB LYS 51 4.108 0.796 -6.907 430 HB3 LYS 51 3HB LYS 51 3.175 2.127 -7.567 431 HG2 LYS 51 2HG LYS 51 4.791 2.361 -5.007 432 HG3 LYS 51 3HG LYS 51 5.442 2.725 -6.607 433 HD2 LYS 51 2HD LYS 51 3.531 4.398 -6.882 434 HD3 LYS 51 3HD LYS 51 3.162 4.146 -5.175 435 HE2 LYS 51 2HE LYS 51 5.388 4.984 -4.550 436 HE3 LYS 51 3HE LYS 51 5.831 5.142 -6.249 437 HZ1 LYS 51 3HZ LYS 51 4.103 6.799 -6.507 438 HZ2 LYS 51 1HZ LYS 51 5.191 7.255 -5.300 439 HZ3 LYS 51 2HZ LYS 51 3.673 6.648 -4.878 440 H LYS 52 H LYS 52 1.935 -1.011 -6.794 441 HA LYS 52 HA LYS 52 -0.005 -0.486 -8.795 442 HB2 LYS 52 2HB LYS 52 1.597 -2.442 -8.705 443 HB3 LYS 52 3HB LYS 52 0.616 -3.140 -7.425 444 HG2 LYS 52 2HG LYS 52 -1.288 -3.319 -9.002 445 HG3 LYS 52 3HG LYS 52 -0.286 -2.614 -10.274 446 HD2 LYS 52 2HD LYS 52 1.336 -4.579 -9.884 447 HD3 LYS 52 3HD LYS 52 0.060 -5.308 -8.905 448 HE2 LYS 52 2HE LYS 52 0.023 -6.202 -11.187 449 HE3 LYS 52 3HE LYS 52 -1.447 -5.276 -10.877 450 HZ1 LYS 52 3HZ LYS 52 -0.466 -4.809 -13.054 451 HZ2 LYS 52 1HZ LYS 52 0.945 -4.253 -12.311 452 HZ3 LYS 52 2HZ LYS 52 -0.513 -3.425 -12.089 453 H TRP 53 H TRP 53 -0.223 -1.620 -5.460 454 HA TRP 53 HA TRP 53 -2.898 -2.478 -5.396 455 HB2 TRP 53 2HB TRP 53 -1.224 -3.088 -3.675 456 HB3 TRP 53 3HB TRP 53 -1.180 -1.424 -3.106 457 HD1 TRP 53 HD1 TRP 53 -3.393 -4.565 -3.019 458 HE1 TRP 53 HE1 TRP 53 -5.189 -4.252 -1.220 459 HE3 TRP 53 HE3 TRP 53 -2.557 0.344 -1.847 460 HZ2 TRP 53 HZ2 TRP 53 -6.134 -2.222 0.467 461 HZ3 TRP 53 HZ3 TRP 53 -3.972 1.402 -0.139 462 HH2 TRP 53 HH2 TRP 53 -5.727 0.142 0.993 463 H PHE 54 H PHE 54 -1.490 0.713 -4.535 464 HA PHE 54 HA PHE 54 -3.886 1.942 -3.666 465 HB2 PHE 54 2HB PHE 54 -1.358 3.203 -4.804 466 HB3 PHE 54 3HB PHE 54 -2.685 4.141 -4.124 467 HD1 PHE 54 HD2 PHE 54 -3.338 3.712 -1.670 468 HD2 PHE 54 HD1 PHE 54 0.326 2.304 -3.360 469 HE1 PHE 54 HE2 PHE 54 -2.410 3.402 0.586 470 HE2 PHE 54 HE1 PHE 54 1.242 2.004 -1.098 471 HZ PHE 54 HZ PHE 54 -0.123 2.540 0.876 472 H SER 55 H SER 55 -2.564 1.509 -6.917 473 HA SER 55 HA SER 55 -4.459 3.099 -8.350 474 HB2 SER 55 2HB SER 55 -2.961 0.612 -9.285 475 HB3 SER 55 3HB SER 55 -3.755 1.787 -10.333 476 HG SER 55 HG SER 55 -1.380 1.968 -9.946 477 H ASP 56 H ASP 56 -4.394 -0.368 -7.428 478 HA ASP 56 HA ASP 56 -6.817 -1.182 -8.654 479 HB2 ASP 56 2HB ASP 56 -5.408 -2.356 -6.214 480 HB3 ASP 56 3HB ASP 56 -6.698 -3.158 -7.105 481 H THR 57 H THR 57 -6.144 0.218 -5.491 482 HA THR 57 HA THR 57 -8.747 -0.319 -4.360 483 HB THR 57 HB THR 57 -6.522 1.486 -3.307 484 HG1 THR 57 HG1 THR 57 -5.770 -0.594 -3.341 485 HG21 THR 57 3HG2 THR 57 -8.933 0.328 -1.850 486 HG22 THR 57 1HG2 THR 57 -8.683 2.034 -2.239 487 HG23 THR 57 2HG2 THR 57 -7.611 1.222 -1.097 488 H ARG 58 H ARG 58 -7.149 2.530 -5.803 489 HA ARG 58 HA ARG 58 -9.310 4.367 -5.456 490 HB2 ARG 58 2HB ARG 58 -6.824 4.282 -7.163 491 HB3 ARG 58 3HB ARG 58 -8.047 5.482 -7.553 492 HG2 ARG 58 2HG ARG 58 -7.696 6.701 -5.619 493 HG3 ARG 58 3HG ARG 58 -7.144 5.311 -4.690 494 HD2 ARG 58 2HD ARG 58 -5.358 7.006 -5.156 495 HD3 ARG 58 3HD ARG 58 -4.978 5.380 -5.726 496 HE ARG 58 HE ARG 58 -6.144 6.966 -7.787 497 HH11 ARG 58 1HH1 ARG 58 -3.156 6.562 -6.088 498 HH12 ARG 58 2HH1 ARG 58 -2.200 7.002 -7.455 499 HH21 ARG 58 1HH2 ARG 58 -4.901 7.565 -9.502 500 HH22 ARG 58 2HH2 ARG 58 -3.179 7.593 -9.360 501 H TYR 59 H TYR 59 -8.568 2.025 -8.010 502 HA TYR 59 HA TYR 59 -10.691 2.636 -9.807 503 HB2 TYR 59 2HB TYR 59 -8.900 1.236 -10.601 504 HB3 TYR 59 3HB TYR 59 -9.098 0.096 -9.277 505 HD1 TYR 59 HD2 TYR 59 -10.703 1.326 -12.432 506 HD2 TYR 59 HD1 TYR 59 -10.590 -1.785 -9.498 507 HE1 TYR 59 HE2 TYR 59 -12.149 -0.075 -13.849 508 HE2 TYR 59 HE1 TYR 59 -12.035 -3.173 -10.912 509 HH TYR 59 HH TYR 59 -13.730 -2.827 -12.719 510 H ASN 60 H ASN 60 -10.427 0.272 -7.172 511 HA ASN 60 HA ASN 60 -13.029 -0.828 -7.335 512 HB2 ASN 60 2HB ASN 60 -11.000 -1.882 -6.227 513 HB3 ASN 60 3HB ASN 60 -11.197 -0.752 -4.894 514 HD21 ASN 60 1HD2 ASN 60 -11.542 -2.397 -3.379 515 HD22 ASN 60 2HD2 ASN 60 -12.970 -3.362 -3.352 516 H GLN 61 H GLN 61 -11.712 1.930 -5.581 517 HA GLN 61 HA GLN 61 -13.927 2.507 -3.896 518 HB2 GLN 61 2HB GLN 61 -11.608 3.368 -3.531 519 HB3 GLN 61 3HB GLN 61 -11.761 4.386 -4.955 520 HG2 GLN 61 2HG GLN 61 -13.625 4.688 -2.583 521 HG3 GLN 61 3HG GLN 61 -12.049 5.472 -2.615 522 HE21 GLN 61 1HE2 GLN 61 -14.806 6.611 -2.600 523 HE22 GLN 61 2HE2 GLN 61 -14.849 7.687 -3.945 524 H ARG 62 H ARG 62 -12.988 3.684 -7.156 525 HA ARG 62 HA ARG 62 -15.041 5.519 -7.614 526 HB2 ARG 62 2HB ARG 62 -12.993 5.233 -9.052 527 HB3 ARG 62 3HB ARG 62 -13.685 3.746 -9.694 528 HG2 ARG 62 2HG ARG 62 -15.635 5.089 -10.529 529 HG3 ARG 62 3HG ARG 62 -14.799 6.546 -10.001 530 HD2 ARG 62 2HD ARG 62 -13.758 4.590 -12.085 531 HD3 ARG 62 3HD ARG 62 -14.562 6.120 -12.443 532 HE ARG 62 HE ARG 62 -12.206 6.345 -10.769 533 HH11 ARG 62 1HH1 ARG 62 -13.357 6.414 -14.035 534 HH12 ARG 62 2HH1 ARG 62 -11.965 7.259 -14.605 535 HH21 ARG 62 1HH2 ARG 62 -10.438 7.410 -11.536 536 HH22 ARG 62 2HH2 ARG 62 -10.334 7.816 -13.216 537 H ASN 63 H ASN 63 -14.980 1.990 -8.147 538 HA ASN 63 HA ASN 63 -17.683 1.815 -9.131 539 HB2 ASN 63 2HB ASN 63 -15.937 0.084 -9.645 540 HB3 ASN 63 3HB ASN 63 -15.941 -0.397 -7.951 541 HD21 ASN 63 1HD2 ASN 63 -17.800 -0.362 -10.917 542 HD22 ASN 63 2HD2 ASN 63 -18.949 -1.558 -10.443 543 H SER 64 H SER 64 -19.152 2.709 -7.736 544 HA SER 64 HA SER 64 -19.213 2.417 -4.907 545 HB2 SER 64 2HB SER 64 -21.502 3.382 -5.054 546 HB3 SER 64 3HB SER 64 -20.364 4.279 -6.058 547 HG SER 64 HG SER 64 -22.161 3.955 -7.288 548 H LYS 65 H LYS 65 -20.391 1.029 -3.571 549 HA LYS 65 HA LYS 65 -20.722 -1.638 -4.655 550 HB2 LYS 65 2HB LYS 65 -21.188 -0.819 -1.760 551 HB3 LYS 65 3HB LYS 65 -20.778 -2.416 -2.381 552 HG2 LYS 65 2HG LYS 65 -18.979 0.016 -2.180 553 HG3 LYS 65 3HG LYS 65 -18.815 -1.522 -1.332 554 HD2 LYS 65 2HD LYS 65 -18.209 -2.661 -3.400 555 HD3 LYS 65 3HD LYS 65 -18.560 -1.217 -4.355 556 HE2 LYS 65 2HE LYS 65 -16.710 -0.040 -3.081 557 HE3 LYS 65 3HE LYS 65 -16.297 -1.605 -2.371 558 HZ1 LYS 65 3HZ LYS 65 -14.925 -1.142 -4.268 559 HZ2 LYS 65 1HZ LYS 65 -16.280 -0.922 -5.256 560 HZ3 LYS 65 2HZ LYS 65 -15.936 -2.452 -4.619 561 H SER 66 H SER 66 -22.545 -1.653 -5.898 562 HA SER 66 HA SER 66 -25.145 -0.742 -4.901 563 HB2 SER 66 2HB SER 66 -24.335 -1.900 -7.605 564 HB3 SER 66 3HB SER 66 -25.900 -1.174 -7.234 565 HG SER 66 HG SER 66 -23.405 0.027 -7.627 566 H ASN 67 H ASN 67 -23.825 -3.185 -3.746 567 HA ASN 67 HA ASN 67 -24.080 -5.349 -3.198 568 HB2 ASN 67 2HB ASN 67 -27.006 -4.661 -3.687 569 HB3 ASN 67 3HB ASN 67 -26.491 -6.187 -2.969 570 HD21 ASN 67 1HD2 ASN 67 -28.123 -4.043 -1.789 571 HD22 ASN 67 2HD2 ASN 67 -27.299 -3.555 -0.355 572 H GLN 68 H GLN 68 -22.830 -6.071 -4.913 573 HA GLN 68 HA GLN 68 -24.189 -7.508 -7.113 574 HB2 GLN 68 2HB GLN 68 -21.864 -5.546 -7.422 575 HB3 GLN 68 3HB GLN 68 -22.400 -6.641 -8.690 576 HG2 GLN 68 2HG GLN 68 -24.561 -5.506 -8.819 577 HG3 GLN 68 3HG GLN 68 -24.123 -4.468 -7.462 578 HE21 GLN 68 1HE2 GLN 68 -23.492 -5.158 -10.845 579 HE22 GLN 68 2HE2 GLN 68 -22.720 -3.657 -11.200 580 H CYS 69 H CYS 69 -22.722 -9.080 -8.218 581 HA CYS 69 HA CYS 69 -21.134 -10.631 -6.373 582 HB2 CYS 69 2HB CYS 69 -22.475 -11.797 -8.045 583 HB3 CYS 69 3HB CYS 69 -21.634 -10.976 -9.360 584 HG CYS 69 HG CYS 69 -20.938 -13.764 -9.010 585 H LEU 70 H LEU 70 -18.970 -10.513 -6.033 586 HA LEU 70 HA LEU 70 -17.307 -8.662 -7.549 587 HB2 LEU 70 2HB LEU 70 -17.314 -9.002 -4.984 588 HB3 LEU 70 3HB LEU 70 -16.413 -10.475 -5.271 589 HG LEU 70 HG LEU 70 -15.401 -7.744 -6.179 590 HD11 LEU 70 1HD1 LEU 70 -15.729 -7.637 -3.752 591 HD12 LEU 70 2HD1 LEU 70 -14.013 -7.659 -4.145 592 HD13 LEU 70 3HD1 LEU 70 -14.795 -9.121 -3.538 593 HD21 LEU 70 3HD2 LEU 70 -14.283 -9.643 -7.268 594 HD22 LEU 70 1HD2 LEU 70 -13.908 -10.348 -5.693 595 HD23 LEU 70 2HD2 LEU 70 -13.178 -8.815 -6.176 596 H HIS 71 H HIS 71 -16.955 -9.518 -9.572 597 HA HIS 71 HA HIS 71 -15.241 -11.881 -9.829 598 HB2 HIS 71 2HB HIS 71 -17.650 -12.690 -9.922 599 HB3 HIS 71 3HB HIS 71 -17.883 -11.711 -11.363 600 HD1 HIS 71 HD1 HIS 71 -16.813 -12.577 -13.563 601 HD2 HIS 71 HD2 HIS 71 -16.183 -15.066 -10.296 602 HE1 HIS 71 HE1 HIS 71 -16.007 -14.744 -14.518 603 HE2 HIS 71 HE2 HIS 71 -15.503 -16.183 -12.527 604 H LEU 72 H LEU 72 -13.694 -10.306 -10.447 605 HA LEU 72 HA LEU 72 -14.186 -8.546 -12.737 606 HB2 LEU 72 2HB LEU 72 -11.871 -8.746 -10.774 607 HB3 LEU 72 3HB LEU 72 -11.796 -7.736 -12.206 608 HG LEU 72 HG LEU 72 -13.791 -6.453 -11.352 609 HD11 LEU 72 1HD1 LEU 72 -14.425 -6.600 -8.983 610 HD12 LEU 72 2HD1 LEU 72 -13.381 -8.011 -8.787 611 HD13 LEU 72 3HD1 LEU 72 -14.790 -8.094 -9.846 612 HD21 LEU 72 3HD2 LEU 72 -12.529 -5.140 -9.700 613 HD22 LEU 72 1HD2 LEU 72 -11.518 -5.581 -11.073 614 HD23 LEU 72 2HD2 LEU 72 -11.354 -6.447 -9.544 615 H ASN 73 H ASN 73 -14.108 -9.662 -14.628 616 HA ASN 73 HA ASN 73 -11.923 -11.468 -15.324 617 HB2 ASN 73 2HB ASN 73 -14.247 -10.390 -16.989 618 HB3 ASN 73 3HB ASN 73 -13.102 -11.615 -17.533 619 HD21 ASN 73 1HD2 ASN 73 -13.156 -13.683 -16.534 620 HD22 ASN 73 2HD2 ASN 73 -14.560 -14.236 -15.699 621 H ASN 74 H ASN 74 -10.736 -11.090 -17.423 622 HA ASN 74 HA ASN 74 -9.967 -8.236 -17.758 623 HB2 ASN 74 2HB ASN 74 -7.792 -9.211 -18.726 624 HB3 ASN 74 3HB ASN 74 -8.044 -9.362 -16.992 625 HD21 ASN 74 1HD2 ASN 74 -7.795 -11.100 -20.001 626 HD22 ASN 74 2HD2 ASN 74 -7.696 -12.678 -19.306 Start of MODEL 12 1 H1 SER 1 1H SER 1 -17.256 -6.604 8.522 2 H2 SER 1 2H SER 1 -16.653 -8.183 8.570 3 H3 SER 1 3H SER 1 -17.716 -7.648 9.769 4 HA SER 1 HA SER 1 -19.489 -7.426 8.186 5 HB2 SER 1 2HB SER 1 -17.478 -8.510 6.158 6 HB3 SER 1 3HB SER 1 -19.182 -8.178 5.837 7 HG SER 1 HG SER 1 -18.295 -6.334 5.225 8 H HIS 2 H HIS 2 -20.487 -8.950 9.482 9 HA HIS 2 HA HIS 2 -19.695 -11.745 9.524 10 HB2 HIS 2 2HB HIS 2 -22.142 -10.311 10.641 11 HB3 HIS 2 3HB HIS 2 -21.846 -12.032 10.856 12 HD1 HIS 2 HD1 HIS 2 -20.014 -12.739 12.519 13 HD2 HIS 2 HD2 HIS 2 -20.501 -8.617 12.228 14 HE1 HIS 2 HE1 HIS 2 -18.705 -11.771 14.429 15 HE2 HIS 2 HE2 HIS 2 -19.080 -9.287 14.291 16 H MET 3 H MET 3 -20.714 -13.473 8.518 17 HA MET 3 HA MET 3 -21.364 -14.560 6.646 18 HB2 MET 3 2HB MET 3 -23.745 -12.675 6.863 19 HB3 MET 3 3HB MET 3 -23.687 -14.047 5.766 20 HG2 MET 3 2HG MET 3 -23.478 -15.564 7.719 21 HG3 MET 3 3HG MET 3 -23.623 -14.168 8.793 22 HE1 MET 3 3HE MET 3 -25.702 -15.506 9.992 23 HE2 MET 3 1HE MET 3 -25.540 -16.819 8.825 24 HE3 MET 3 2HE MET 3 -27.113 -16.071 9.096 25 HA PRO 4 HA PRO 4 -19.866 -11.238 3.681 26 HB2 PRO 4 2HB PRO 4 -17.308 -12.016 3.303 27 HB3 PRO 4 3HB PRO 4 -17.790 -11.101 4.740 28 HG2 PRO 4 2HG PRO 4 -17.265 -14.051 4.449 29 HG3 PRO 4 3HG PRO 4 -16.832 -12.965 5.785 30 HD2 PRO 4 2HD PRO 4 -19.059 -14.671 5.754 31 HD3 PRO 4 3HD PRO 4 -18.874 -13.261 6.818 32 H ASP 5 H ASP 5 -21.448 -12.262 2.301 33 HA ASP 5 HA ASP 5 -20.823 -14.529 0.638 34 HB2 ASP 5 2HB ASP 5 -22.893 -13.746 -0.656 35 HB3 ASP 5 3HB ASP 5 -23.140 -14.130 1.045 36 H SER 6 H SER 6 -20.326 -11.072 0.353 37 HA SER 6 HA SER 6 -19.840 -10.995 -2.488 38 HB2 SER 6 2HB SER 6 -19.121 -8.962 -0.326 39 HB3 SER 6 3HB SER 6 -19.110 -8.664 -2.065 40 HG SER 6 HG SER 6 -21.478 -9.647 -0.936 41 H PHE 7 H PHE 7 -18.106 -11.868 -3.430 42 HA PHE 7 HA PHE 7 -15.583 -12.281 -1.934 43 HB2 PHE 7 2HB PHE 7 -16.454 -13.527 -4.579 44 HB3 PHE 7 3HB PHE 7 -15.088 -14.020 -3.586 45 HD1 PHE 7 HD2 PHE 7 -15.992 -14.426 -0.940 46 HD2 PHE 7 HD1 PHE 7 -18.187 -15.111 -4.550 47 HE1 PHE 7 HE2 PHE 7 -17.422 -16.050 0.231 48 HE2 PHE 7 HE1 PHE 7 -19.610 -16.733 -3.371 49 HZ PHE 7 HZ PHE 7 -19.231 -17.208 -0.981 50 H GLY 8 H GLY 8 -13.757 -12.529 -3.989 51 HA2 GLY 8 2HA GLY 8 -13.694 -10.811 -6.147 52 HA3 GLY 8 3HA GLY 8 -13.168 -9.821 -4.789 53 H ILE 9 H ILE 9 -12.542 -13.251 -5.489 54 HA ILE 9 HA ILE 9 -9.734 -12.949 -4.860 55 HB ILE 9 HB ILE 9 -11.198 -15.457 -5.795 56 HG12 ILE 9 2HG1 ILE 9 -12.291 -14.588 -3.759 57 HG13 ILE 9 3HG1 ILE 9 -11.418 -16.069 -3.396 58 HG21 ILE 9 1HG2 ILE 9 -8.762 -15.668 -5.999 59 HG22 ILE 9 2HG2 ILE 9 -9.349 -16.690 -4.686 60 HG23 ILE 9 3HG2 ILE 9 -8.549 -15.159 -4.319 61 HD11 ILE 9 3HD1 ILE 9 -9.612 -14.735 -2.383 62 HD12 ILE 9 1HD1 ILE 9 -11.175 -14.461 -1.614 63 HD13 ILE 9 2HD1 ILE 9 -10.524 -13.262 -2.729 64 H ARG 10 H ARG 10 -9.204 -11.502 -6.628 65 HA ARG 10 HA ARG 10 -8.421 -12.968 -9.098 66 HB2 ARG 10 2HB ARG 10 -9.041 -9.988 -8.842 67 HB3 ARG 10 3HB ARG 10 -8.490 -10.797 -10.307 68 HG2 ARG 10 2HG ARG 10 -10.601 -12.163 -10.279 69 HG3 ARG 10 3HG ARG 10 -11.147 -11.215 -8.894 70 HD2 ARG 10 2HD ARG 10 -12.165 -10.356 -10.935 71 HD3 ARG 10 3HD ARG 10 -11.044 -9.155 -10.289 72 HE ARG 10 HE ARG 10 -9.422 -10.159 -12.004 73 HH11 ARG 10 1HH1 ARG 10 -12.830 -9.896 -12.583 74 HH12 ARG 10 2HH1 ARG 10 -12.623 -9.790 -14.294 75 HH21 ARG 10 1HH2 ARG 10 -9.210 -10.014 -14.189 76 HH22 ARG 10 2HH2 ARG 10 -10.615 -9.869 -15.184 77 H ALA 11 H ALA 11 -7.273 -11.828 -6.277 78 HA ALA 11 HA ALA 11 -4.495 -11.663 -7.166 79 HB1 ALA 11 3HB ALA 11 -4.070 -9.541 -5.965 80 HB2 ALA 11 1HB ALA 11 -5.791 -9.396 -5.593 81 HB3 ALA 11 2HB ALA 11 -5.236 -9.302 -7.266 82 H LYS 12 H LYS 12 -2.988 -11.775 -5.269 83 HA LYS 12 HA LYS 12 -4.236 -12.904 -2.818 84 HB2 LYS 12 2HB LYS 12 -3.269 -14.727 -4.248 85 HB3 LYS 12 3HB LYS 12 -1.690 -13.956 -4.126 86 HG2 LYS 12 2HG LYS 12 -1.761 -14.288 -1.640 87 HG3 LYS 12 3HG LYS 12 -3.303 -15.125 -1.826 88 HD2 LYS 12 2HD LYS 12 -1.522 -16.772 -1.611 89 HD3 LYS 12 3HD LYS 12 -2.175 -16.842 -3.250 90 HE2 LYS 12 2HE LYS 12 0.278 -16.995 -3.270 91 HE3 LYS 12 3HE LYS 12 -0.254 -15.519 -4.072 92 HZ1 LYS 12 3HZ LYS 12 1.636 -15.142 -2.596 93 HZ2 LYS 12 1HZ LYS 12 0.736 -15.687 -1.276 94 HZ3 LYS 12 2HZ LYS 12 0.281 -14.273 -2.079 95 H LYS 13 H LYS 13 -3.917 -11.394 -1.353 96 HA LYS 13 HA LYS 13 -1.165 -10.700 -0.520 97 HB2 LYS 13 2HB LYS 13 -3.592 -8.839 -0.635 98 HB3 LYS 13 3HB LYS 13 -2.146 -8.467 0.302 99 HG2 LYS 13 2HG LYS 13 -2.053 -8.994 -2.683 100 HG3 LYS 13 3HG LYS 13 -2.355 -7.388 -2.014 101 HD2 LYS 13 2HD LYS 13 -0.191 -7.293 -0.996 102 HD3 LYS 13 3HD LYS 13 0.087 -9.019 -1.227 103 HE2 LYS 13 2HE LYS 13 -0.167 -7.055 -3.533 104 HE3 LYS 13 3HE LYS 13 1.371 -7.507 -2.795 105 HZ1 LYS 13 3HZ LYS 13 0.954 -8.852 -4.729 106 HZ2 LYS 13 1HZ LYS 13 -0.535 -9.366 -4.113 107 HZ3 LYS 13 2HZ LYS 13 0.900 -9.822 -3.349 108 H THR 14 H THR 14 -0.837 -11.074 1.709 109 HA THR 14 HA THR 14 -2.897 -12.365 3.245 110 HB THR 14 HB THR 14 -1.391 -12.528 5.084 111 HG1 THR 14 HG1 THR 14 0.662 -11.169 4.938 112 HG21 THR 14 3HG2 THR 14 -0.583 -13.855 3.159 113 HG22 THR 14 1HG2 THR 14 0.764 -13.286 4.148 114 HG23 THR 14 2HG2 THR 14 0.395 -12.488 2.617 115 H LYS 15 H LYS 15 -4.074 -11.518 5.052 116 HA LYS 15 HA LYS 15 -5.150 -8.956 4.646 117 HB2 LYS 15 2HB LYS 15 -5.296 -10.722 7.116 118 HB3 LYS 15 3HB LYS 15 -6.345 -9.338 6.804 119 HG2 LYS 15 2HG LYS 15 -7.285 -10.463 4.829 120 HG3 LYS 15 3HG LYS 15 -6.184 -11.826 5.057 121 HD2 LYS 15 2HD LYS 15 -8.371 -10.968 6.998 122 HD3 LYS 15 3HD LYS 15 -8.477 -12.318 5.866 123 HE2 LYS 15 2HE LYS 15 -6.624 -13.451 7.033 124 HE3 LYS 15 3HE LYS 15 -6.481 -12.091 8.147 125 HZ1 LYS 15 3HZ LYS 15 -8.859 -13.841 7.862 126 HZ2 LYS 15 1HZ LYS 15 -8.706 -12.551 8.942 127 HZ3 LYS 15 2HZ LYS 15 -7.721 -13.915 9.108 128 H GLU 16 H GLU 16 -2.508 -9.980 6.756 129 HA GLU 16 HA GLU 16 -2.246 -7.630 8.338 130 HB2 GLU 16 2HB GLU 16 -0.133 -9.664 7.512 131 HB3 GLU 16 3HB GLU 16 0.083 -8.441 8.764 132 HG2 GLU 16 2HG GLU 16 -1.726 -9.478 10.088 133 HG3 GLU 16 3HG GLU 16 -1.944 -10.701 8.836 134 H GLN 17 H GLN 17 -0.575 -8.636 5.333 135 HA GLN 17 HA GLN 17 1.011 -6.322 4.915 136 HB2 GLN 17 2HB GLN 17 -0.145 -8.307 2.904 137 HB3 GLN 17 3HB GLN 17 1.090 -7.109 2.514 138 HG2 GLN 17 2HG GLN 17 2.678 -8.177 3.993 139 HG3 GLN 17 3HG GLN 17 1.448 -9.295 4.582 140 HE21 GLN 17 1HE2 GLN 17 4.044 -9.792 3.237 141 HE22 GLN 17 2HE2 GLN 17 3.672 -10.780 1.871 142 H LEU 18 H LEU 18 -2.141 -7.236 3.638 143 HA LEU 18 HA LEU 18 -2.640 -5.034 1.963 144 HB2 LEU 18 2HB LEU 18 -3.716 -7.478 2.254 145 HB3 LEU 18 3HB LEU 18 -4.885 -6.611 3.225 146 HG LEU 18 HG LEU 18 -4.287 -5.933 0.311 147 HD11 LEU 18 1HD1 LEU 18 -6.539 -7.677 1.375 148 HD12 LEU 18 2HD1 LEU 18 -5.145 -8.230 0.443 149 HD13 LEU 18 3HD1 LEU 18 -6.323 -7.154 -0.301 150 HD21 LEU 18 3HD2 LEU 18 -6.418 -4.731 0.357 151 HD22 LEU 18 1HD2 LEU 18 -5.314 -4.090 1.572 152 HD23 LEU 18 2HD2 LEU 18 -6.642 -5.146 2.060 153 H ALA 19 H ALA 19 -3.366 -5.600 5.392 154 HA ALA 19 HA ALA 19 -5.069 -3.371 5.876 155 HB1 ALA 19 3HB ALA 19 -4.624 -3.754 8.258 156 HB2 ALA 19 1HB ALA 19 -3.261 -4.804 7.852 157 HB3 ALA 19 2HB ALA 19 -4.904 -5.285 7.427 158 H GLU 20 H GLU 20 -1.536 -3.771 6.247 159 HA GLU 20 HA GLU 20 -0.967 -1.211 7.316 160 HB2 GLU 20 2HB GLU 20 0.802 -3.102 5.721 161 HB3 GLU 20 3HB GLU 20 1.394 -1.651 6.529 162 HG2 GLU 20 2HG GLU 20 0.152 -4.082 7.857 163 HG3 GLU 20 3HG GLU 20 1.859 -3.635 7.866 164 H LEU 21 H LEU 21 -1.162 -2.361 3.972 165 HA LEU 21 HA LEU 21 -0.348 0.018 2.656 166 HB2 LEU 21 2HB LEU 21 -2.251 -2.153 1.695 167 HB3 LEU 21 3HB LEU 21 -1.491 -0.943 0.668 168 HG LEU 21 HG LEU 21 -0.063 -3.166 2.185 169 HD11 LEU 21 1HD1 LEU 21 0.473 -4.079 -0.024 170 HD12 LEU 21 2HD1 LEU 21 -0.488 -2.814 -0.795 171 HD13 LEU 21 3HD1 LEU 21 -1.267 -4.010 0.245 172 HD21 LEU 21 3HD2 LEU 21 1.347 -1.181 2.128 173 HD22 LEU 21 1HD2 LEU 21 1.121 -1.033 0.382 174 HD23 LEU 21 2HD2 LEU 21 1.989 -2.419 1.054 175 H LYS 22 H LYS 22 -3.554 -1.140 3.741 176 HA LYS 22 HA LYS 22 -5.151 1.020 2.851 177 HB2 LYS 22 2HB LYS 22 -5.504 -0.903 5.179 178 HB3 LYS 22 3HB LYS 22 -6.709 0.320 4.788 179 HG2 LYS 22 2HG LYS 22 -7.061 -0.699 2.582 180 HG3 LYS 22 3HG LYS 22 -5.822 -1.912 2.925 181 HD2 LYS 22 2HD LYS 22 -7.160 -2.876 4.703 182 HD3 LYS 22 3HD LYS 22 -8.320 -1.551 4.626 183 HE2 LYS 22 2HE LYS 22 -7.866 -3.598 2.425 184 HE3 LYS 22 3HE LYS 22 -9.191 -3.623 3.588 185 HZ1 LYS 22 3HZ LYS 22 -8.678 -1.497 1.574 186 HZ2 LYS 22 1HZ LYS 22 -9.927 -1.483 2.712 187 HZ3 LYS 22 2HZ LYS 22 -9.899 -2.665 1.506 188 H VAL 23 H VAL 23 -3.333 0.593 5.900 189 HA VAL 23 HA VAL 23 -4.210 2.840 7.340 190 HB VAL 23 HB VAL 23 -1.473 1.472 7.378 191 HG11 VAL 23 1HG1 VAL 23 -1.229 3.705 8.366 192 HG12 VAL 23 2HG1 VAL 23 -1.121 2.473 9.623 193 HG13 VAL 23 3HG1 VAL 23 -2.605 3.412 9.431 194 HG21 VAL 23 3HG2 VAL 23 -3.864 1.105 9.228 195 HG22 VAL 23 1HG2 VAL 23 -2.305 0.286 9.381 196 HG23 VAL 23 2HG2 VAL 23 -3.337 -0.031 7.987 197 H SER 24 H SER 24 -1.580 2.584 4.949 198 HA SER 24 HA SER 24 -0.783 5.355 5.072 199 HB2 SER 24 2HB SER 24 0.763 3.549 4.311 200 HB3 SER 24 3HB SER 24 -0.238 3.305 2.884 201 HG SER 24 HG SER 24 0.242 5.518 2.323 202 H TYR 25 H TYR 25 -2.967 3.465 3.013 203 HA TYR 25 HA TYR 25 -3.454 5.337 0.952 204 HB2 TYR 25 2HB TYR 25 -3.986 2.947 0.716 205 HB3 TYR 25 3HB TYR 25 -5.194 3.054 1.989 206 HD1 TYR 25 HD1 TYR 25 -4.413 4.116 -1.504 207 HD2 TYR 25 HD2 TYR 25 -7.454 3.790 1.486 208 HE1 TYR 25 HE1 TYR 25 -6.128 4.688 -3.178 209 HE2 TYR 25 HE2 TYR 25 -9.162 4.344 -0.192 210 HH TYR 25 HH TYR 25 -8.658 4.257 -3.441 211 H LEU 26 H LEU 26 -5.177 4.764 4.012 212 HA LEU 26 HA LEU 26 -7.421 6.440 3.532 213 HB2 LEU 26 2HB LEU 26 -6.235 5.372 6.115 214 HB3 LEU 26 3HB LEU 26 -7.773 6.214 6.034 215 HG LEU 26 HG LEU 26 -7.149 3.573 4.647 216 HD11 LEU 26 1HD1 LEU 26 -8.832 4.094 7.113 217 HD12 LEU 26 2HD1 LEU 26 -7.257 3.295 7.065 218 HD13 LEU 26 3HD1 LEU 26 -8.645 2.544 6.283 219 HD21 LEU 26 3HD2 LEU 26 -9.549 3.470 4.137 220 HD22 LEU 26 1HD2 LEU 26 -8.795 4.873 3.385 221 HD23 LEU 26 2HD2 LEU 26 -9.782 5.075 4.836 222 H LYS 27 H LYS 27 -4.205 7.123 4.745 223 HA LYS 27 HA LYS 27 -4.859 9.854 5.567 224 HB2 LYS 27 2HB LYS 27 -2.149 8.482 5.310 225 HB3 LYS 27 3HB LYS 27 -2.444 10.057 6.052 226 HG2 LYS 27 2HG LYS 27 -3.865 8.927 7.776 227 HG3 LYS 27 3HG LYS 27 -3.447 7.370 7.047 228 HD2 LYS 27 2HD LYS 27 -1.037 7.834 7.527 229 HD3 LYS 27 3HD LYS 27 -1.503 9.344 8.316 230 HE2 LYS 27 2HE LYS 27 -1.108 7.619 9.992 231 HE3 LYS 27 3HE LYS 27 -2.825 8.031 9.975 232 HZ1 LYS 27 3HZ LYS 27 -1.579 5.674 8.667 233 HZ2 LYS 27 1HZ LYS 27 -3.225 6.062 8.616 234 HZ3 LYS 27 2HZ LYS 27 -2.497 5.654 10.089 235 H ASN 28 H ASN 28 -3.340 8.180 2.839 236 HA ASN 28 HA ASN 28 -3.526 10.488 1.096 237 HB2 ASN 28 2HB ASN 28 -1.358 10.827 2.389 238 HB3 ASN 28 3HB ASN 28 -0.758 9.329 1.689 239 HD21 ASN 28 1HD2 ASN 28 0.975 10.638 0.874 240 HD22 ASN 28 2HD2 ASN 28 0.762 11.572 -0.562 241 H GLN 29 H GLN 29 -4.384 9.596 -0.711 242 HA GLN 29 HA GLN 29 -4.514 6.752 -1.052 243 HB2 GLN 29 2HB GLN 29 -5.583 9.024 -2.773 244 HB3 GLN 29 3HB GLN 29 -5.882 7.332 -3.114 245 HG2 GLN 29 2HG GLN 29 -7.815 8.262 -2.023 246 HG3 GLN 29 3HG GLN 29 -7.050 7.099 -0.945 247 HE21 GLN 29 1HE2 GLN 29 -7.854 7.916 0.956 248 HE22 GLN 29 2HE2 GLN 29 -7.460 9.475 1.585 249 H PHE 30 H PHE 30 -2.797 9.342 -2.644 250 HA PHE 30 HA PHE 30 -1.133 7.384 -4.123 251 HB2 PHE 30 2HB PHE 30 -1.741 10.283 -4.876 252 HB3 PHE 30 3HB PHE 30 -0.653 9.212 -5.752 253 HD1 PHE 30 HD1 PHE 30 -4.209 9.919 -4.955 254 HD2 PHE 30 HD2 PHE 30 -1.522 7.497 -7.252 255 HE1 PHE 30 HE1 PHE 30 -6.082 9.149 -6.359 256 HE2 PHE 30 HE2 PHE 30 -3.403 6.737 -8.643 257 HZ PHE 30 HZ PHE 30 -5.678 7.562 -8.201 258 HA PRO 31 HA PRO 31 1.452 9.476 -0.905 259 HB2 PRO 31 2HB PRO 31 2.542 7.338 0.263 260 HB3 PRO 31 3HB PRO 31 0.819 7.690 0.475 261 HG2 PRO 31 2HG PRO 31 2.142 5.686 -1.342 262 HG3 PRO 31 3HG PRO 31 0.685 5.501 -0.342 263 HD2 PRO 31 2HD PRO 31 0.691 6.128 -3.084 264 HD3 PRO 31 3HD PRO 31 -0.678 6.382 -1.980 265 H HIS 32 H HIS 32 3.822 9.326 -0.324 266 HA HIS 32 HA HIS 32 5.442 9.591 -2.696 267 HB2 HIS 32 2HB HIS 32 6.236 9.820 0.242 268 HB3 HIS 32 3HB HIS 32 7.205 10.349 -1.133 269 HD2 HIS 32 HD2 HIS 32 6.329 12.711 -2.399 270 HE1 HIS 32 HE1 HIS 32 3.483 13.626 0.595 271 HE2 HIS 32 HE2 HIS 32 4.571 14.418 -1.547 272 H ASP 33 H ASP 33 7.582 8.580 -2.955 273 HA ASP 33 HA ASP 33 7.569 5.768 -2.843 274 HB2 ASP 33 2HB ASP 33 8.906 7.233 -4.420 275 HB3 ASP 33 3HB ASP 33 10.018 7.563 -3.102 276 H SER 34 H SER 34 8.774 8.160 -0.567 277 HA SER 34 HA SER 34 10.303 6.573 1.193 278 HB2 SER 34 2HB SER 34 9.852 8.365 2.870 279 HB3 SER 34 3HB SER 34 10.306 9.033 1.302 280 HG SER 34 HG SER 34 8.340 9.875 2.534 281 H GLU 35 H GLU 35 6.816 7.394 1.277 282 HA GLU 35 HA GLU 35 5.988 5.893 3.499 283 HB2 GLU 35 2HB GLU 35 4.417 6.265 0.906 284 HB3 GLU 35 3HB GLU 35 3.746 5.872 2.487 285 HG2 GLU 35 2HG GLU 35 5.131 8.452 1.765 286 HG3 GLU 35 3HG GLU 35 3.390 8.211 1.791 287 H ILE 36 H ILE 36 6.243 5.010 0.103 288 HA ILE 36 HA ILE 36 5.227 2.377 0.262 289 HB ILE 36 HB ILE 36 6.890 3.806 -1.852 290 HG12 ILE 36 2HG1 ILE 36 3.886 3.237 -1.782 291 HG13 ILE 36 3HG1 ILE 36 4.599 4.746 -1.236 292 HG21 ILE 36 1HG2 ILE 36 7.160 1.399 -2.219 293 HG22 ILE 36 2HG2 ILE 36 6.136 2.096 -3.473 294 HG23 ILE 36 3HG2 ILE 36 5.410 1.168 -2.159 295 HD11 ILE 36 3HD1 ILE 36 3.643 4.960 -3.443 296 HD12 ILE 36 1HD1 ILE 36 4.686 3.675 -4.048 297 HD13 ILE 36 2HD1 ILE 36 5.389 5.197 -3.499 298 H ILE 37 H ILE 37 8.542 3.644 0.600 299 HA ILE 37 HA ILE 37 9.889 1.120 0.729 300 HB ILE 37 HB ILE 37 10.637 3.845 1.880 301 HG12 ILE 37 2HG1 ILE 37 11.764 2.279 -0.489 302 HG13 ILE 37 3HG1 ILE 37 10.645 3.629 -0.612 303 HG21 ILE 37 1HG2 ILE 37 12.374 1.340 1.903 304 HG22 ILE 37 2HG2 ILE 37 11.706 2.150 3.322 305 HG23 ILE 37 3HG2 ILE 37 12.915 2.964 2.332 306 HD11 ILE 37 3HD1 ILE 37 13.487 3.745 0.399 307 HD12 ILE 37 1HD1 ILE 37 12.368 5.111 0.342 308 HD13 ILE 37 2HD1 ILE 37 12.884 4.330 -1.151 309 H ARG 38 H ARG 38 8.598 3.274 3.308 310 HA ARG 38 HA ARG 38 9.048 1.736 5.593 311 HB2 ARG 38 2HB ARG 38 8.154 4.013 5.728 312 HB3 ARG 38 3HB ARG 38 6.688 3.526 4.884 313 HG2 ARG 38 2HG ARG 38 6.272 1.956 6.923 314 HG3 ARG 38 3HG ARG 38 7.510 2.914 7.741 315 HD2 ARG 38 2HD ARG 38 5.234 3.731 8.254 316 HD3 ARG 38 3HD ARG 38 6.172 4.959 7.390 317 HE ARG 38 HE ARG 38 4.351 3.198 5.885 318 HH11 ARG 38 1HH1 ARG 38 5.057 6.396 6.998 319 HH12 ARG 38 2HH1 ARG 38 3.919 7.125 5.924 320 HH21 ARG 38 1HH2 ARG 38 2.883 4.176 4.535 321 HH22 ARG 38 2HH2 ARG 38 2.701 5.894 4.568 322 H LEU 39 H LEU 39 6.400 1.550 3.260 323 HA LEU 39 HA LEU 39 4.848 -0.455 4.532 324 HB2 LEU 39 2HB LEU 39 4.963 0.504 1.649 325 HB3 LEU 39 3HB LEU 39 3.736 -0.602 2.258 326 HG LEU 39 HG LEU 39 4.165 2.149 3.486 327 HD11 LEU 39 1HD1 LEU 39 3.645 2.514 1.125 328 HD12 LEU 39 2HD1 LEU 39 2.341 3.054 2.173 329 HD13 LEU 39 3HD1 LEU 39 2.183 1.529 1.284 330 HD21 LEU 39 3HD2 LEU 39 2.957 0.556 4.889 331 HD22 LEU 39 1HD2 LEU 39 1.798 0.254 3.592 332 HD23 LEU 39 2HD2 LEU 39 1.886 1.846 4.353 333 H MET 40 H MET 40 7.384 -0.634 1.981 334 HA MET 40 HA MET 40 7.407 -3.432 1.570 335 HB2 MET 40 2HB MET 40 9.663 -1.397 1.396 336 HB3 MET 40 3HB MET 40 9.850 -3.071 0.893 337 HG2 MET 40 2HG MET 40 8.320 -2.794 -0.913 338 HG3 MET 40 3HG MET 40 7.764 -1.238 -0.300 339 HE1 MET 40 3HE MET 40 10.805 -3.150 -2.004 340 HE2 MET 40 1HE MET 40 11.503 -2.514 -0.511 341 HE3 MET 40 2HE MET 40 12.001 -1.852 -2.067 342 H LYS 41 H LYS 41 8.918 -1.462 4.089 343 HA LYS 41 HA LYS 41 10.601 -3.430 5.273 344 HB2 LYS 41 2HB LYS 41 9.370 -0.906 6.467 345 HB3 LYS 41 3HB LYS 41 10.647 -1.846 7.238 346 HG2 LYS 41 2HG LYS 41 10.940 -0.539 4.507 347 HG3 LYS 41 3HG LYS 41 11.405 0.250 6.017 348 HD2 LYS 41 2HD LYS 41 12.536 -2.429 5.091 349 HD3 LYS 41 3HD LYS 41 13.298 -0.873 4.742 350 HE2 LYS 41 2HE LYS 41 13.627 -0.432 7.091 351 HE3 LYS 41 3HE LYS 41 12.687 -1.854 7.550 352 HZ1 LYS 41 3HZ LYS 41 14.389 -3.234 6.499 353 HZ2 LYS 41 1HZ LYS 41 15.020 -2.289 7.752 354 HZ3 LYS 41 2HZ LYS 41 15.298 -1.852 6.144 355 H ILE 42 H ILE 42 7.282 -2.367 6.054 356 HA ILE 42 HA ILE 42 7.102 -4.093 8.394 357 HB ILE 42 HB ILE 42 4.964 -2.296 7.170 358 HG12 ILE 42 2HG1 ILE 42 6.925 -0.961 7.823 359 HG13 ILE 42 3HG1 ILE 42 5.601 -0.651 8.934 360 HG21 ILE 42 1HG2 ILE 42 5.087 -3.570 9.934 361 HG22 ILE 42 2HG2 ILE 42 3.976 -4.004 8.633 362 HG23 ILE 42 3HG2 ILE 42 3.863 -2.416 9.390 363 HD11 ILE 42 3HD1 ILE 42 7.986 -2.420 9.484 364 HD12 ILE 42 1HD1 ILE 42 6.667 -2.081 10.609 365 HD13 ILE 42 2HD1 ILE 42 7.736 -0.783 10.082 366 H THR 43 H THR 43 5.427 -3.893 5.225 367 HA THR 43 HA THR 43 3.773 -6.214 5.641 368 HB THR 43 HB THR 43 3.058 -6.000 3.330 369 HG1 THR 43 HG1 THR 43 4.571 -3.889 2.519 370 HG21 THR 43 3HG2 THR 43 3.471 -3.223 4.504 371 HG22 THR 43 1HG2 THR 43 2.111 -4.301 4.842 372 HG23 THR 43 2HG2 THR 43 2.329 -3.636 3.222 373 H GLY 44 H GLY 44 6.919 -5.649 4.113 374 HA2 GLY 44 2HA GLY 44 8.554 -7.145 3.433 375 HA3 GLY 44 3HA GLY 44 7.507 -8.483 3.883 376 H LEU 45 H LEU 45 6.116 -6.121 1.811 377 HA LEU 45 HA LEU 45 6.094 -7.907 -0.510 378 HB2 LEU 45 2HB LEU 45 4.736 -5.242 0.050 379 HB3 LEU 45 3HB LEU 45 4.563 -6.116 -1.469 380 HG LEU 45 HG LEU 45 3.711 -7.237 1.233 381 HD11 LEU 45 1HD1 LEU 45 1.990 -5.919 -0.897 382 HD12 LEU 45 2HD1 LEU 45 2.364 -5.262 0.700 383 HD13 LEU 45 3HD1 LEU 45 1.404 -6.732 0.560 384 HD21 LEU 45 3HD2 LEU 45 3.153 -8.195 -1.600 385 HD22 LEU 45 1HD2 LEU 45 2.485 -8.900 -0.123 386 HD23 LEU 45 2HD2 LEU 45 4.219 -8.972 -0.425 387 H THR 46 H THR 46 6.348 -6.841 -2.698 388 HA THR 46 HA THR 46 8.862 -5.337 -2.834 389 HB THR 46 HB THR 46 8.877 -5.811 -5.224 390 HG1 THR 46 HG1 THR 46 6.379 -7.135 -4.971 391 HG21 THR 46 3HG2 THR 46 9.621 -7.676 -3.776 392 HG22 THR 46 1HG2 THR 46 8.861 -8.271 -5.255 393 HG23 THR 46 2HG2 THR 46 7.970 -8.301 -3.732 394 H LYS 47 H LYS 47 9.049 -3.393 -4.057 395 HA LYS 47 HA LYS 47 7.161 -1.408 -3.509 396 HB2 LYS 47 2HB LYS 47 9.561 -1.002 -3.836 397 HB3 LYS 47 3HB LYS 47 9.430 -1.438 -5.534 398 HG2 LYS 47 2HG LYS 47 8.189 0.541 -6.049 399 HG3 LYS 47 3HG LYS 47 7.934 0.915 -4.344 400 HD2 LYS 47 2HD LYS 47 10.664 0.911 -5.703 401 HD3 LYS 47 3HD LYS 47 9.669 2.352 -5.482 402 HE2 LYS 47 2HE LYS 47 9.762 2.000 -3.012 403 HE3 LYS 47 3HE LYS 47 10.831 0.618 -3.268 404 HZ1 LYS 47 3HZ LYS 47 11.398 3.417 -4.074 405 HZ2 LYS 47 1HZ LYS 47 12.441 2.101 -4.279 406 HZ3 LYS 47 2HZ LYS 47 12.048 2.635 -2.726 407 H GLY 48 H GLY 48 7.579 -3.359 -6.425 408 HA2 GLY 48 2HA GLY 48 5.880 -1.982 -8.209 409 HA3 GLY 48 3HA GLY 48 6.309 -3.680 -8.300 410 H GLU 49 H GLU 49 5.158 -4.719 -6.012 411 HA GLU 49 HA GLU 49 2.435 -5.101 -6.676 412 HB2 GLU 49 2HB GLU 49 3.896 -5.650 -4.055 413 HB3 GLU 49 3HB GLU 49 2.262 -6.207 -4.405 414 HG2 GLU 49 2HG GLU 49 3.097 -7.603 -6.231 415 HG3 GLU 49 3HG GLU 49 4.733 -6.996 -5.977 416 H ILE 50 H ILE 50 3.971 -3.141 -4.167 417 HA ILE 50 HA ILE 50 1.619 -2.230 -2.873 418 HB ILE 50 HB ILE 50 4.456 -1.109 -2.886 419 HG12 ILE 50 2HG1 ILE 50 3.001 -2.945 -0.920 420 HG13 ILE 50 3HG1 ILE 50 4.273 -3.427 -2.036 421 HG21 ILE 50 1HG2 ILE 50 3.879 0.090 -0.793 422 HG22 ILE 50 2HG2 ILE 50 2.193 -0.393 -0.984 423 HG23 ILE 50 3HG2 ILE 50 2.941 0.679 -2.167 424 HD11 ILE 50 3HD1 ILE 50 4.556 -1.614 0.356 425 HD12 ILE 50 1HD1 ILE 50 5.849 -1.981 -0.791 426 HD13 ILE 50 2HD1 ILE 50 5.143 -3.266 0.186 427 H LYS 51 H LYS 51 3.641 -0.636 -5.397 428 HA LYS 51 HA LYS 51 2.185 1.810 -5.450 429 HB2 LYS 51 2HB LYS 51 4.066 0.531 -7.458 430 HB3 LYS 51 3HB LYS 51 3.299 2.091 -7.771 431 HG2 LYS 51 2HG LYS 51 4.309 2.972 -5.674 432 HG3 LYS 51 3HG LYS 51 5.139 1.429 -5.449 433 HD2 LYS 51 2HD LYS 51 6.479 1.776 -7.428 434 HD3 LYS 51 3HD LYS 51 5.523 3.185 -7.907 435 HE2 LYS 51 2HE LYS 51 6.320 4.409 -5.914 436 HE3 LYS 51 3HE LYS 51 7.250 2.996 -5.410 437 HZ1 LYS 51 3HZ LYS 51 8.587 3.206 -7.389 438 HZ2 LYS 51 1HZ LYS 51 8.622 4.643 -6.500 439 HZ3 LYS 51 2HZ LYS 51 7.684 4.539 -7.906 440 H LYS 52 H LYS 52 1.853 -1.129 -7.467 441 HA LYS 52 HA LYS 52 -0.277 -0.166 -9.101 442 HB2 LYS 52 2HB LYS 52 0.405 -3.031 -8.328 443 HB3 LYS 52 3HB LYS 52 -0.728 -2.570 -9.600 444 HG2 LYS 52 2HG LYS 52 1.125 -1.473 -10.831 445 HG3 LYS 52 3HG LYS 52 2.252 -1.979 -9.565 446 HD2 LYS 52 2HD LYS 52 1.650 -4.375 -10.075 447 HD3 LYS 52 3HD LYS 52 0.658 -3.801 -11.420 448 HE2 LYS 52 2HE LYS 52 2.838 -4.549 -12.237 449 HE3 LYS 52 3HE LYS 52 2.690 -2.802 -12.456 450 HZ1 LYS 52 3HZ LYS 52 4.857 -3.431 -11.582 451 HZ2 LYS 52 1HZ LYS 52 4.131 -4.146 -10.232 452 HZ3 LYS 52 2HZ LYS 52 4.018 -2.474 -10.468 453 H TRP 53 H TRP 53 -0.192 -1.749 -5.940 454 HA TRP 53 HA TRP 53 -2.851 -2.460 -5.566 455 HB2 TRP 53 2HB TRP 53 -1.000 -3.074 -4.009 456 HB3 TRP 53 3HB TRP 53 -0.920 -1.414 -3.440 457 HD1 TRP 53 HD1 TRP 53 -2.924 -4.640 -3.015 458 HE1 TRP 53 HE1 TRP 53 -4.580 -4.359 -1.073 459 HE3 TRP 53 HE3 TRP 53 -2.389 0.388 -2.164 460 HZ2 TRP 53 HZ2 TRP 53 -5.555 -2.305 0.581 461 HZ3 TRP 53 HZ3 TRP 53 -3.740 1.428 -0.392 462 HH2 TRP 53 HH2 TRP 53 -5.290 0.107 0.956 463 H PHE 54 H PHE 54 -1.316 0.722 -4.855 464 HA PHE 54 HA PHE 54 -3.553 1.940 -3.639 465 HB2 PHE 54 2HB PHE 54 -1.150 3.167 -5.044 466 HB3 PHE 54 3HB PHE 54 -2.387 4.155 -4.273 467 HD1 PHE 54 HD2 PHE 54 -2.927 3.574 -1.769 468 HD2 PHE 54 HD1 PHE 54 0.705 2.471 -3.732 469 HE1 PHE 54 HE2 PHE 54 -1.830 3.305 0.411 470 HE2 PHE 54 HE1 PHE 54 1.797 2.213 -1.543 471 HZ PHE 54 HZ PHE 54 0.527 2.621 0.528 472 H SER 55 H SER 55 -2.617 1.862 -7.086 473 HA SER 55 HA SER 55 -4.698 3.643 -7.977 474 HB2 SER 55 2HB SER 55 -4.067 2.977 -10.259 475 HB3 SER 55 3HB SER 55 -2.629 3.308 -9.299 476 HG SER 55 HG SER 55 -2.360 1.054 -9.047 477 H ASP 56 H ASP 56 -4.418 0.072 -7.895 478 HA ASP 56 HA ASP 56 -6.928 -0.490 -9.146 479 HB2 ASP 56 2HB ASP 56 -5.143 -2.207 -7.379 480 HB3 ASP 56 3HB ASP 56 -6.582 -2.823 -8.188 481 H THR 57 H THR 57 -5.966 -0.108 -5.771 482 HA THR 57 HA THR 57 -8.465 -0.652 -4.529 483 HB THR 57 HB THR 57 -6.082 1.005 -3.601 484 HG1 THR 57 HG1 THR 57 -5.459 -1.024 -3.360 485 HG21 THR 57 3HG2 THR 57 -8.062 1.877 -2.412 486 HG22 THR 57 1HG2 THR 57 -7.035 0.948 -1.317 487 HG23 THR 57 2HG2 THR 57 -8.519 0.237 -1.951 488 H ARG 58 H ARG 58 -6.971 2.367 -5.720 489 HA ARG 58 HA ARG 58 -9.014 4.161 -5.024 490 HB2 ARG 58 2HB ARG 58 -6.617 4.659 -5.755 491 HB3 ARG 58 3HB ARG 58 -7.143 4.418 -7.415 492 HG2 ARG 58 2HG ARG 58 -8.578 6.424 -5.685 493 HG3 ARG 58 3HG ARG 58 -6.998 6.834 -6.337 494 HD2 ARG 58 2HD ARG 58 -7.859 6.440 -8.633 495 HD3 ARG 58 3HD ARG 58 -9.454 6.079 -7.964 496 HE ARG 58 HE ARG 58 -8.842 8.553 -6.969 497 HH11 ARG 58 1HH1 ARG 58 -9.148 7.278 -10.184 498 HH12 ARG 58 2HH1 ARG 58 -9.531 8.820 -10.863 499 HH21 ARG 58 1HH2 ARG 58 -9.375 10.485 -7.864 500 HH22 ARG 58 2HH2 ARG 58 -9.668 10.609 -9.563 501 H TYR 59 H TYR 59 -8.604 2.101 -7.870 502 HA TYR 59 HA TYR 59 -10.826 2.971 -9.401 503 HB2 TYR 59 2HB TYR 59 -9.107 1.581 -10.418 504 HB3 TYR 59 3HB TYR 59 -9.389 0.285 -9.263 505 HD1 TYR 59 HD2 TYR 59 -10.927 2.097 -12.158 506 HD2 TYR 59 HD1 TYR 59 -11.056 -1.403 -9.703 507 HE1 TYR 59 HE2 TYR 59 -12.536 1.064 -13.708 508 HE2 TYR 59 HE1 TYR 59 -12.664 -2.432 -11.243 509 HH TYR 59 HH TYR 59 -14.269 -1.808 -12.936 510 H ASN 60 H ASN 60 -10.532 0.514 -6.829 511 HA ASN 60 HA ASN 60 -13.269 -0.383 -6.964 512 HB2 ASN 60 2HB ASN 60 -11.379 -1.818 -6.159 513 HB3 ASN 60 3HB ASN 60 -11.206 -0.782 -4.747 514 HD21 ASN 60 1HD2 ASN 60 -11.642 -2.478 -3.305 515 HD22 ASN 60 2HD2 ASN 60 -13.210 -3.175 -3.130 516 H GLN 61 H GLN 61 -11.611 2.182 -5.208 517 HA GLN 61 HA GLN 61 -13.852 2.721 -3.413 518 HB2 GLN 61 2HB GLN 61 -11.270 4.268 -3.873 519 HB3 GLN 61 3HB GLN 61 -12.469 4.660 -2.641 520 HG2 GLN 61 2HG GLN 61 -10.762 2.156 -2.799 521 HG3 GLN 61 3HG GLN 61 -10.607 3.466 -1.633 522 HE21 GLN 61 1HE2 GLN 61 -12.210 3.658 0.006 523 HE22 GLN 61 2HE2 GLN 61 -13.192 2.314 0.457 524 H ARG 62 H ARG 62 -12.710 3.805 -6.515 525 HA ARG 62 HA ARG 62 -14.423 6.087 -6.825 526 HB2 ARG 62 2HB ARG 62 -12.326 5.754 -8.105 527 HB3 ARG 62 3HB ARG 62 -12.991 4.302 -8.847 528 HG2 ARG 62 2HG ARG 62 -14.705 5.695 -9.974 529 HG3 ARG 62 3HG ARG 62 -13.984 7.136 -9.247 530 HD2 ARG 62 2HD ARG 62 -11.841 6.621 -10.408 531 HD3 ARG 62 3HD ARG 62 -12.612 5.229 -11.177 532 HE ARG 62 HE ARG 62 -14.237 7.166 -11.978 533 HH11 ARG 62 1HH1 ARG 62 -10.771 7.120 -11.960 534 HH12 ARG 62 2HH1 ARG 62 -10.651 8.209 -13.295 535 HH21 ARG 62 1HH2 ARG 62 -14.044 8.540 -13.701 536 HH22 ARG 62 2HH2 ARG 62 -12.475 9.003 -14.261 537 H ASN 63 H ASN 63 -14.497 2.691 -7.843 538 HA ASN 63 HA ASN 63 -17.422 2.783 -8.342 539 HB2 ASN 63 2HB ASN 63 -15.351 0.909 -9.578 540 HB3 ASN 63 3HB ASN 63 -17.077 0.905 -9.916 541 HD21 ASN 63 1HD2 ASN 63 -17.301 3.843 -10.044 542 HD22 ASN 63 2HD2 ASN 63 -16.535 4.299 -11.517 543 H SER 64 H SER 64 -18.013 2.278 -6.217 544 HA SER 64 HA SER 64 -16.554 0.376 -4.616 545 HB2 SER 64 2HB SER 64 -19.068 1.962 -3.977 546 HB3 SER 64 3HB SER 64 -18.121 1.043 -2.804 547 HG SER 64 HG SER 64 -16.305 2.464 -3.739 548 H LYS 65 H LYS 65 -18.788 -0.321 -6.917 549 HA LYS 65 HA LYS 65 -19.193 -2.990 -5.809 550 HB2 LYS 65 2HB LYS 65 -21.639 -3.045 -6.237 551 HB3 LYS 65 3HB LYS 65 -21.220 -1.888 -4.980 552 HG2 LYS 65 2HG LYS 65 -21.538 -0.019 -6.517 553 HG3 LYS 65 3HG LYS 65 -21.807 -1.125 -7.866 554 HD2 LYS 65 2HD LYS 65 -23.598 -0.871 -5.410 555 HD3 LYS 65 3HD LYS 65 -23.930 -0.162 -6.992 556 HE2 LYS 65 2HE LYS 65 -24.015 -2.445 -7.978 557 HE3 LYS 65 3HE LYS 65 -23.711 -3.138 -6.385 558 HZ1 LYS 65 3HZ LYS 65 -26.065 -1.493 -7.124 559 HZ2 LYS 65 1HZ LYS 65 -25.787 -2.197 -5.610 560 HZ3 LYS 65 2HZ LYS 65 -26.049 -3.172 -6.968 561 H SER 66 H SER 66 -19.398 -4.585 -7.381 562 HA SER 66 HA SER 66 -20.083 -4.084 -10.123 563 HB2 SER 66 2HB SER 66 -17.900 -4.677 -11.156 564 HB3 SER 66 3HB SER 66 -17.783 -3.197 -10.210 565 HG SER 66 HG SER 66 -17.012 -4.683 -8.467 566 H ASN 67 H ASN 67 -21.464 -5.751 -10.094 567 HA ASN 67 HA ASN 67 -22.341 -7.788 -10.330 568 HB2 ASN 67 2HB ASN 67 -20.523 -8.154 -11.972 569 HB3 ASN 67 3HB ASN 67 -19.481 -8.768 -10.696 570 HD21 ASN 67 1HD2 ASN 67 -22.346 -9.438 -12.630 571 HD22 ASN 67 2HD2 ASN 67 -22.381 -11.133 -12.312 572 H GLN 68 H GLN 68 -23.165 -9.330 -9.075 573 HA GLN 68 HA GLN 68 -21.790 -10.643 -6.894 574 HB2 GLN 68 2HB GLN 68 -22.402 -8.482 -5.840 575 HB3 GLN 68 3HB GLN 68 -24.080 -8.696 -6.323 576 HG2 GLN 68 2HG GLN 68 -24.236 -10.674 -4.831 577 HG3 GLN 68 3HG GLN 68 -22.563 -10.413 -4.332 578 HE21 GLN 68 1HE2 GLN 68 -23.164 -10.100 -2.171 579 HE22 GLN 68 2HE2 GLN 68 -23.975 -8.683 -1.621 580 H CYS 69 H CYS 69 -25.086 -9.771 -7.979 581 HA CYS 69 HA CYS 69 -26.089 -12.490 -7.797 582 HB2 CYS 69 2HB CYS 69 -27.371 -9.943 -8.865 583 HB3 CYS 69 3HB CYS 69 -28.202 -11.490 -8.708 584 HG CYS 69 HG CYS 69 -28.456 -9.247 -6.623 585 H LEU 70 H LEU 70 -24.640 -13.547 -9.265 586 HA LEU 70 HA LEU 70 -24.601 -12.843 -12.086 587 HB2 LEU 70 2HB LEU 70 -22.610 -13.786 -10.884 588 HB3 LEU 70 3HB LEU 70 -23.482 -15.293 -10.663 589 HG LEU 70 HG LEU 70 -23.507 -15.669 -13.110 590 HD11 LEU 70 1HD1 LEU 70 -21.925 -13.084 -13.309 591 HD12 LEU 70 2HD1 LEU 70 -23.558 -13.371 -13.917 592 HD13 LEU 70 3HD1 LEU 70 -22.193 -14.228 -14.628 593 HD21 LEU 70 3HD2 LEU 70 -21.104 -16.137 -13.415 594 HD22 LEU 70 1HD2 LEU 70 -21.636 -16.583 -11.793 595 HD23 LEU 70 2HD2 LEU 70 -20.714 -15.097 -12.041 596 H HIS 71 H HIS 71 -26.551 -13.099 -13.053 597 HA HIS 71 HA HIS 71 -28.514 -13.919 -13.835 598 HB2 HIS 71 2HB HIS 71 -27.070 -16.582 -13.486 599 HB3 HIS 71 3HB HIS 71 -28.669 -16.455 -14.218 600 HD1 HIS 71 HD1 HIS 71 -28.371 -16.757 -16.658 601 HD2 HIS 71 HD2 HIS 71 -25.346 -14.387 -15.056 602 HE1 HIS 71 HE1 HIS 71 -26.947 -16.075 -18.606 603 HE2 HIS 71 HE2 HIS 71 -25.294 -14.444 -17.646 604 H LEU 72 H LEU 72 -28.329 -13.299 -11.042 605 HA LEU 72 HA LEU 72 -29.149 -13.582 -8.948 606 HB2 LEU 72 2HB LEU 72 -31.481 -14.784 -10.480 607 HB3 LEU 72 3HB LEU 72 -31.539 -14.371 -8.773 608 HG LEU 72 HG LEU 72 -31.139 -12.381 -11.047 609 HD11 LEU 72 1HD1 LEU 72 -33.595 -12.904 -9.331 610 HD12 LEU 72 2HD1 LEU 72 -33.411 -13.291 -11.044 611 HD13 LEU 72 3HD1 LEU 72 -33.416 -11.610 -10.523 612 HD21 LEU 72 3HD2 LEU 72 -30.011 -11.621 -9.008 613 HD22 LEU 72 1HD2 LEU 72 -31.479 -11.887 -8.063 614 HD23 LEU 72 2HD2 LEU 72 -31.440 -10.641 -9.315 615 H ASN 73 H ASN 73 -27.435 -15.072 -8.419 616 HA ASN 73 HA ASN 73 -27.650 -17.904 -8.739 617 HB2 ASN 73 2HB ASN 73 -25.473 -16.660 -8.568 618 HB3 ASN 73 3HB ASN 73 -25.811 -16.336 -6.868 619 HD21 ASN 73 1HD2 ASN 73 -23.963 -17.448 -6.193 620 HD22 ASN 73 2HD2 ASN 73 -23.837 -19.168 -6.266 621 H ASN 74 H ASN 74 -28.678 -19.368 -7.499 622 HA ASN 74 HA ASN 74 -30.435 -18.546 -5.407 623 HB2 ASN 74 2HB ASN 74 -31.012 -21.050 -5.290 624 HB3 ASN 74 3HB ASN 74 -31.287 -20.228 -6.818 625 HD21 ASN 74 1HD2 ASN 74 -29.372 -22.621 -5.167 626 HD22 ASN 74 2HD2 ASN 74 -28.638 -23.299 -6.573 Start of MODEL 13 1 H1 SER 1 1H SER 1 -17.817 -7.569 13.217 2 H2 SER 1 2H SER 1 -18.139 -6.454 11.986 3 H3 SER 1 3H SER 1 -16.753 -6.286 12.935 4 HA SER 1 HA SER 1 -15.813 -8.280 12.065 5 HB2 SER 1 2HB SER 1 -16.979 -9.543 10.246 6 HB3 SER 1 3HB SER 1 -17.889 -9.558 11.755 7 HG SER 1 HG SER 1 -19.390 -9.042 10.287 8 H HIS 2 H HIS 2 -14.167 -7.264 11.067 9 HA HIS 2 HA HIS 2 -14.652 -5.762 8.534 10 HB2 HIS 2 2HB HIS 2 -12.530 -5.236 10.675 11 HB3 HIS 2 3HB HIS 2 -12.609 -4.405 9.125 12 HD1 HIS 2 HD1 HIS 2 -14.320 -2.503 8.890 13 HD2 HIS 2 HD2 HIS 2 -14.558 -4.467 12.547 14 HE1 HIS 2 HE1 HIS 2 -15.821 -1.091 10.317 15 HE2 HIS 2 HE2 HIS 2 -15.875 -2.242 12.551 16 H MET 3 H MET 3 -14.270 -8.576 8.771 17 HA MET 3 HA MET 3 -11.536 -9.376 8.398 18 HB2 MET 3 2HB MET 3 -14.125 -10.914 7.924 19 HB3 MET 3 3HB MET 3 -12.519 -11.629 7.999 20 HG2 MET 3 2HG MET 3 -12.322 -10.946 10.357 21 HG3 MET 3 3HG MET 3 -13.927 -10.215 10.282 22 HE1 MET 3 3HE MET 3 -16.191 -11.627 9.977 23 HE2 MET 3 1HE MET 3 -16.230 -13.382 9.807 24 HE3 MET 3 2HE MET 3 -15.563 -12.387 8.514 25 HA PRO 4 HA PRO 4 -11.182 -8.575 3.941 26 HB2 PRO 4 2HB PRO 4 -9.169 -10.387 3.336 27 HB3 PRO 4 3HB PRO 4 -8.886 -8.822 4.110 28 HG2 PRO 4 2HG PRO 4 -9.184 -11.540 5.393 29 HG3 PRO 4 3HG PRO 4 -7.959 -10.291 5.698 30 HD2 PRO 4 2HD PRO 4 -10.035 -10.576 7.357 31 HD3 PRO 4 3HD PRO 4 -9.451 -8.950 6.933 32 H ASP 5 H ASP 5 -12.978 -9.233 2.875 33 HA ASP 5 HA ASP 5 -13.951 -11.937 2.834 34 HB2 ASP 5 2HB ASP 5 -15.789 -10.997 1.445 35 HB3 ASP 5 3HB ASP 5 -15.519 -10.075 2.919 36 H SER 6 H SER 6 -14.387 -13.208 0.965 37 HA SER 6 HA SER 6 -14.166 -14.190 -1.044 38 HB2 SER 6 2HB SER 6 -14.777 -11.978 -2.020 39 HB3 SER 6 3HB SER 6 -13.071 -11.539 -2.078 40 HG SER 6 HG SER 6 -12.738 -12.946 -3.692 41 H PHE 7 H PHE 7 -12.641 -15.218 -2.498 42 HA PHE 7 HA PHE 7 -9.886 -15.357 -1.442 43 HB2 PHE 7 2HB PHE 7 -11.120 -17.497 -1.625 44 HB3 PHE 7 3HB PHE 7 -11.361 -17.233 -3.347 45 HD1 PHE 7 HD1 PHE 7 -8.709 -17.768 -0.762 46 HD2 PHE 7 HD2 PHE 7 -9.709 -17.981 -4.918 47 HE1 PHE 7 HE1 PHE 7 -6.590 -18.929 -1.219 48 HE2 PHE 7 HE2 PHE 7 -7.588 -19.146 -5.364 49 HZ PHE 7 HZ PHE 7 -6.025 -19.620 -3.516 50 H GLY 8 H GLY 8 -8.399 -14.143 -2.431 51 HA2 GLY 8 2HA GLY 8 -8.623 -13.177 -5.152 52 HA3 GLY 8 3HA GLY 8 -7.286 -12.918 -4.043 53 H ILE 9 H ILE 9 -8.116 -14.406 -6.896 54 HA ILE 9 HA ILE 9 -6.726 -16.885 -6.755 55 HB ILE 9 HB ILE 9 -7.599 -15.218 -9.159 56 HG12 ILE 9 2HG1 ILE 9 -9.204 -17.198 -9.494 57 HG13 ILE 9 3HG1 ILE 9 -8.701 -17.790 -7.919 58 HG21 ILE 9 1HG2 ILE 9 -6.316 -17.978 -9.243 59 HG22 ILE 9 2HG2 ILE 9 -5.628 -16.481 -9.876 60 HG23 ILE 9 3HG2 ILE 9 -7.075 -17.162 -10.614 61 HD11 ILE 9 3HD1 ILE 9 -9.623 -15.763 -6.886 62 HD12 ILE 9 1HD1 ILE 9 -10.831 -16.656 -7.808 63 HD13 ILE 9 2HD1 ILE 9 -10.121 -15.190 -8.481 64 H ARG 10 H ARG 10 -4.678 -16.798 -6.047 65 HA ARG 10 HA ARG 10 -2.456 -16.511 -5.869 66 HB2 ARG 10 2HB ARG 10 -2.589 -15.772 -8.812 67 HB3 ARG 10 3HB ARG 10 -1.115 -16.171 -7.933 68 HG2 ARG 10 2HG ARG 10 -2.169 -18.447 -7.450 69 HG3 ARG 10 3HG ARG 10 -3.427 -18.013 -8.614 70 HD2 ARG 10 2HD ARG 10 -1.735 -19.349 -9.728 71 HD3 ARG 10 3HD ARG 10 -1.652 -17.696 -10.351 72 HE ARG 10 HE ARG 10 0.196 -18.746 -8.282 73 HH11 ARG 10 1HH1 ARG 10 -0.264 -16.894 -11.180 74 HH12 ARG 10 2HH1 ARG 10 1.417 -16.518 -11.316 75 HH21 ARG 10 1HH2 ARG 10 2.332 -18.228 -8.489 76 HH22 ARG 10 2HH2 ARG 10 2.853 -17.253 -9.818 77 H ALA 11 H ALA 11 -4.300 -14.041 -5.631 78 HA ALA 11 HA ALA 11 -2.653 -11.752 -6.189 79 HB1 ALA 11 3HB ALA 11 -4.358 -10.493 -4.909 80 HB2 ALA 11 1HB ALA 11 -5.086 -12.012 -4.379 81 HB3 ALA 11 2HB ALA 11 -5.110 -11.572 -6.085 82 H LYS 12 H LYS 12 -0.828 -11.250 -5.056 83 HA LYS 12 HA LYS 12 -0.199 -12.515 -2.525 84 HB2 LYS 12 2HB LYS 12 1.485 -12.246 -4.350 85 HB3 LYS 12 3HB LYS 12 1.418 -10.500 -4.145 86 HG2 LYS 12 2HG LYS 12 2.379 -10.665 -1.924 87 HG3 LYS 12 3HG LYS 12 2.273 -12.422 -1.962 88 HD2 LYS 12 2HD LYS 12 4.561 -11.891 -2.365 89 HD3 LYS 12 3HD LYS 12 3.901 -12.389 -3.918 90 HE2 LYS 12 2HE LYS 12 4.292 -9.502 -3.063 91 HE3 LYS 12 3HE LYS 12 5.442 -10.415 -4.029 92 HZ1 LYS 12 3HZ LYS 12 2.710 -9.560 -4.800 93 HZ2 LYS 12 1HZ LYS 12 3.608 -10.692 -5.685 94 HZ3 LYS 12 2HZ LYS 12 4.184 -9.117 -5.496 95 H LYS 13 H LYS 13 -2.120 -11.424 -1.537 96 HA LYS 13 HA LYS 13 -1.258 -9.099 0.037 97 HB2 LYS 13 2HB LYS 13 -3.975 -9.431 -1.312 98 HB3 LYS 13 3HB LYS 13 -3.665 -8.256 -0.040 99 HG2 LYS 13 2HG LYS 13 -2.244 -8.326 -2.715 100 HG3 LYS 13 3HG LYS 13 -3.609 -7.289 -2.317 101 HD2 LYS 13 2HD LYS 13 -2.323 -6.058 -0.691 102 HD3 LYS 13 3HD LYS 13 -1.012 -7.241 -0.737 103 HE2 LYS 13 2HE LYS 13 -1.810 -5.384 -3.003 104 HE3 LYS 13 3HE LYS 13 -0.393 -5.214 -1.964 105 HZ1 LYS 13 3HZ LYS 13 -0.930 -7.417 -3.874 106 HZ2 LYS 13 1HZ LYS 13 0.373 -7.389 -2.797 107 HZ3 LYS 13 2HZ LYS 13 0.254 -6.221 -4.011 108 H THR 14 H THR 14 -0.865 -10.355 1.879 109 HA THR 14 HA THR 14 -2.880 -12.074 3.067 110 HB THR 14 HB THR 14 -1.435 -12.276 4.993 111 HG1 THR 14 HG1 THR 14 0.528 -10.845 5.027 112 HG21 THR 14 3HG2 THR 14 -0.552 -13.454 3.003 113 HG22 THR 14 1HG2 THR 14 0.761 -12.887 4.036 114 HG23 THR 14 2HG2 THR 14 0.367 -12.015 2.552 115 H LYS 15 H LYS 15 -3.839 -11.528 5.268 116 HA LYS 15 HA LYS 15 -5.226 -9.046 5.179 117 HB2 LYS 15 2HB LYS 15 -6.201 -9.722 7.354 118 HB3 LYS 15 3HB LYS 15 -6.261 -11.002 6.152 119 HG2 LYS 15 2HG LYS 15 -4.082 -11.876 7.302 120 HG3 LYS 15 3HG LYS 15 -4.552 -10.821 8.635 121 HD2 LYS 15 2HD LYS 15 -5.363 -13.091 9.050 122 HD3 LYS 15 3HD LYS 15 -6.738 -12.012 8.785 123 HE2 LYS 15 2HE LYS 15 -6.966 -12.825 6.480 124 HE3 LYS 15 3HE LYS 15 -5.528 -13.830 6.666 125 HZ1 LYS 15 3HZ LYS 15 -6.678 -15.130 8.317 126 HZ2 LYS 15 1HZ LYS 15 -7.576 -15.089 6.884 127 HZ3 LYS 15 2HZ LYS 15 -8.044 -14.143 8.203 128 H GLU 16 H GLU 16 -2.229 -9.949 6.717 129 HA GLU 16 HA GLU 16 -1.919 -7.649 8.404 130 HB2 GLU 16 2HB GLU 16 0.127 -9.557 7.191 131 HB3 GLU 16 3HB GLU 16 0.569 -8.245 8.273 132 HG2 GLU 16 2HG GLU 16 0.522 -10.303 9.517 133 HG3 GLU 16 3HG GLU 16 -0.794 -9.269 10.065 134 H GLN 17 H GLN 17 -0.852 -8.426 5.074 135 HA GLN 17 HA GLN 17 0.543 -6.010 4.541 136 HB2 GLN 17 2HB GLN 17 -0.762 -7.958 2.586 137 HB3 GLN 17 3HB GLN 17 0.366 -6.683 2.130 138 HG2 GLN 17 2HG GLN 17 2.140 -7.754 3.455 139 HG3 GLN 17 3HG GLN 17 1.021 -9.016 3.959 140 HE21 GLN 17 1HE2 GLN 17 3.541 -9.316 2.562 141 HE22 GLN 17 2HE2 GLN 17 3.184 -10.110 1.074 142 H LEU 18 H LEU 18 -2.745 -7.033 3.620 143 HA LEU 18 HA LEU 18 -3.734 -4.768 2.385 144 HB2 LEU 18 2HB LEU 18 -5.096 -6.854 4.112 145 HB3 LEU 18 3HB LEU 18 -6.012 -5.592 3.305 146 HG LEU 18 HG LEU 18 -4.256 -7.593 1.826 147 HD11 LEU 18 1HD1 LEU 18 -6.317 -8.752 1.176 148 HD12 LEU 18 2HD1 LEU 18 -7.259 -7.693 2.228 149 HD13 LEU 18 3HD1 LEU 18 -6.075 -8.805 2.921 150 HD21 LEU 18 3HD2 LEU 18 -6.362 -5.650 0.805 151 HD22 LEU 18 1HD2 LEU 18 -5.473 -6.826 -0.171 152 HD23 LEU 18 2HD2 LEU 18 -4.615 -5.496 0.598 153 H ALA 19 H ALA 19 -3.801 -5.534 5.883 154 HA ALA 19 HA ALA 19 -5.274 -3.366 6.846 155 HB1 ALA 19 3HB ALA 19 -4.240 -3.835 9.032 156 HB2 ALA 19 1HB ALA 19 -2.995 -4.809 8.243 157 HB3 ALA 19 2HB ALA 19 -4.680 -5.332 8.207 158 H GLU 20 H GLU 20 -1.736 -3.618 6.472 159 HA GLU 20 HA GLU 20 -1.150 -1.025 7.537 160 HB2 GLU 20 2HB GLU 20 0.601 -2.912 5.914 161 HB3 GLU 20 3HB GLU 20 1.176 -1.522 6.832 162 HG2 GLU 20 2HG GLU 20 -0.197 -3.960 8.017 163 HG3 GLU 20 3HG GLU 20 1.542 -3.673 8.007 164 H LEU 21 H LEU 21 -1.606 -2.255 4.252 165 HA LEU 21 HA LEU 21 -0.762 0.116 2.876 166 HB2 LEU 21 2HB LEU 21 -2.557 -2.161 1.962 167 HB3 LEU 21 3HB LEU 21 -1.944 -0.897 0.906 168 HG LEU 21 HG LEU 21 -0.256 -2.971 2.359 169 HD11 LEU 21 1HD1 LEU 21 0.224 -3.879 0.137 170 HD12 LEU 21 2HD1 LEU 21 -0.870 -2.703 -0.596 171 HD13 LEU 21 3HD1 LEU 21 -1.500 -3.940 0.495 172 HD21 LEU 21 3HD2 LEU 21 0.646 -0.791 0.453 173 HD22 LEU 21 1HD2 LEU 21 1.662 -2.074 1.121 174 HD23 LEU 21 2HD2 LEU 21 0.966 -0.858 2.188 175 H LYS 22 H LYS 22 -3.889 -1.004 4.149 176 HA LYS 22 HA LYS 22 -5.521 1.072 3.078 177 HB2 LYS 22 2HB LYS 22 -5.885 -0.702 5.523 178 HB3 LYS 22 3HB LYS 22 -7.102 0.467 5.012 179 HG2 LYS 22 2HG LYS 22 -7.376 -0.708 2.875 180 HG3 LYS 22 3HG LYS 22 -6.100 -1.846 3.313 181 HD2 LYS 22 2HD LYS 22 -7.488 -2.639 5.225 182 HD3 LYS 22 3HD LYS 22 -8.768 -1.520 4.747 183 HE2 LYS 22 2HE LYS 22 -9.009 -2.714 2.596 184 HE3 LYS 22 3HE LYS 22 -7.713 -3.821 3.058 185 HZ1 LYS 22 3HZ LYS 22 -10.350 -3.530 4.395 186 HZ2 LYS 22 1HZ LYS 22 -9.098 -4.524 4.947 187 HZ3 LYS 22 2HZ LYS 22 -9.830 -4.837 3.458 188 H VAL 23 H VAL 23 -3.733 0.789 6.148 189 HA VAL 23 HA VAL 23 -4.390 3.267 7.316 190 HB VAL 23 HB VAL 23 -1.810 1.639 7.501 191 HG11 VAL 23 1HG1 VAL 23 -1.306 3.938 8.180 192 HG12 VAL 23 2HG1 VAL 23 -1.315 2.887 9.596 193 HG13 VAL 23 3HG1 VAL 23 -2.688 3.950 9.279 194 HG21 VAL 23 3HG2 VAL 23 -4.198 1.780 9.388 195 HG22 VAL 23 1HG2 VAL 23 -2.737 0.820 9.641 196 HG23 VAL 23 2HG2 VAL 23 -3.817 0.446 8.300 197 H SER 24 H SER 24 -1.753 2.411 5.065 198 HA SER 24 HA SER 24 -0.654 5.028 4.795 199 HB2 SER 24 2HB SER 24 0.636 2.998 4.221 200 HB3 SER 24 3HB SER 24 -0.453 2.677 2.871 201 HG SER 24 HG SER 24 0.995 5.102 3.122 202 H TYR 25 H TYR 25 -3.316 3.395 3.158 203 HA TYR 25 HA TYR 25 -3.620 5.184 0.949 204 HB2 TYR 25 2HB TYR 25 -4.571 2.898 0.958 205 HB3 TYR 25 3HB TYR 25 -5.650 3.331 2.277 206 HD1 TYR 25 HD1 TYR 25 -4.850 4.234 -1.289 207 HD2 TYR 25 HD2 TYR 25 -7.841 4.126 1.766 208 HE1 TYR 25 HE1 TYR 25 -6.551 4.922 -2.929 209 HE2 TYR 25 HE2 TYR 25 -9.540 4.802 0.125 210 HH TYR 25 HH TYR 25 -9.759 5.849 -1.983 211 H LEU 26 H LEU 26 -4.953 5.095 4.224 212 HA LEU 26 HA LEU 26 -6.696 7.351 4.010 213 HB2 LEU 26 2HB LEU 26 -5.406 6.064 6.442 214 HB3 LEU 26 3HB LEU 26 -6.705 7.246 6.514 215 HG LEU 26 HG LEU 26 -6.955 4.515 5.182 216 HD11 LEU 26 1HD1 LEU 26 -7.954 5.355 7.918 217 HD12 LEU 26 2HD1 LEU 26 -6.643 4.221 7.586 218 HD13 LEU 26 3HD1 LEU 26 -8.291 3.818 7.113 219 HD21 LEU 26 3HD2 LEU 26 -9.372 4.965 5.156 220 HD22 LEU 26 1HD2 LEU 26 -8.487 6.175 4.229 221 HD23 LEU 26 2HD2 LEU 26 -9.094 6.569 5.841 222 H LYS 27 H LYS 27 -3.270 7.005 4.799 223 HA LYS 27 HA LYS 27 -2.839 9.785 5.530 224 HB2 LYS 27 2HB LYS 27 -0.864 7.576 4.805 225 HB3 LYS 27 3HB LYS 27 -0.409 9.157 5.436 226 HG2 LYS 27 2HG LYS 27 -1.569 8.657 7.554 227 HG3 LYS 27 3HG LYS 27 -2.069 7.087 6.915 228 HD2 LYS 27 2HD LYS 27 0.307 6.409 6.722 229 HD3 LYS 27 3HD LYS 27 0.811 7.977 7.358 230 HE2 LYS 27 2HE LYS 27 -0.287 7.475 9.501 231 HE3 LYS 27 3HE LYS 27 -0.860 5.931 8.865 232 HZ1 LYS 27 3HZ LYS 27 1.983 6.707 9.232 233 HZ2 LYS 27 1HZ LYS 27 1.443 5.233 8.611 234 HZ3 LYS 27 2HZ LYS 27 1.114 5.645 10.217 235 H ASN 28 H ASN 28 -2.490 7.803 2.641 236 HA ASN 28 HA ASN 28 -2.246 10.004 0.816 237 HB2 ASN 28 2HB ASN 28 0.037 9.155 -0.113 238 HB3 ASN 28 3HB ASN 28 0.060 10.132 1.348 239 HD21 ASN 28 1HD2 ASN 28 0.349 6.837 0.129 240 HD22 ASN 28 2HD2 ASN 28 1.208 6.216 1.488 241 H GLN 29 H GLN 29 -3.843 9.209 -0.474 242 HA GLN 29 HA GLN 29 -4.193 6.507 -1.329 243 HB2 GLN 29 2HB GLN 29 -5.118 9.028 -2.765 244 HB3 GLN 29 3HB GLN 29 -5.783 7.412 -2.958 245 HG2 GLN 29 2HG GLN 29 -6.712 7.449 -0.732 246 HG3 GLN 29 3HG GLN 29 -5.878 8.958 -0.356 247 HE21 GLN 29 1HE2 GLN 29 -6.446 10.297 -2.828 248 HE22 GLN 29 2HE2 GLN 29 -8.128 10.667 -2.828 249 H PHE 30 H PHE 30 -2.317 9.178 -2.508 250 HA PHE 30 HA PHE 30 -1.126 7.575 -4.695 251 HB2 PHE 30 2HB PHE 30 -1.129 10.620 -4.407 252 HB3 PHE 30 3HB PHE 30 -0.573 9.691 -5.797 253 HD1 PHE 30 HD2 PHE 30 -2.244 8.549 -7.288 254 HD2 PHE 30 HD1 PHE 30 -3.499 11.085 -4.076 255 HE1 PHE 30 HE2 PHE 30 -4.509 8.661 -8.248 256 HE2 PHE 30 HE1 PHE 30 -5.756 11.183 -5.042 257 HZ PHE 30 HZ PHE 30 -6.269 9.973 -7.127 258 HA PRO 31 HA PRO 31 2.052 7.889 -1.334 259 HB2 PRO 31 2HB PRO 31 3.197 5.464 -1.646 260 HB3 PRO 31 3HB PRO 31 1.593 5.637 -0.920 261 HG2 PRO 31 2HG PRO 31 2.322 4.873 -3.747 262 HG3 PRO 31 3HG PRO 31 1.125 4.132 -2.662 263 HD2 PRO 31 2HD PRO 31 0.472 5.971 -4.616 264 HD3 PRO 31 3HD PRO 31 -0.486 5.740 -3.134 265 H HIS 32 H HIS 32 4.314 8.291 -1.311 266 HA HIS 32 HA HIS 32 5.306 9.306 -3.877 267 HB2 HIS 32 2HB HIS 32 6.525 9.772 -1.131 268 HB3 HIS 32 3HB HIS 32 6.754 10.736 -2.587 269 HD2 HIS 32 HD2 HIS 32 4.766 12.632 -3.083 270 HE1 HIS 32 HE1 HIS 32 2.552 11.791 0.426 271 HE2 HIS 32 HE2 HIS 32 2.684 13.225 -1.651 272 H ASP 33 H ASP 33 7.580 8.368 -1.316 273 HA ASP 33 HA ASP 33 8.441 5.913 -2.664 274 HB2 ASP 33 2HB ASP 33 10.282 8.317 -2.258 275 HB3 ASP 33 3HB ASP 33 10.903 6.687 -2.482 276 H SER 34 H SER 34 9.304 8.212 -0.045 277 HA SER 34 HA SER 34 10.746 6.434 1.581 278 HB2 SER 34 2HB SER 34 9.251 8.953 2.417 279 HB3 SER 34 3HB SER 34 10.526 8.165 3.345 280 HG SER 34 HG SER 34 10.807 10.021 1.508 281 H GLU 35 H GLU 35 7.288 7.366 1.799 282 HA GLU 35 HA GLU 35 6.495 5.845 4.025 283 HB2 GLU 35 2HB GLU 35 4.984 7.486 3.053 284 HB3 GLU 35 3HB GLU 35 4.972 6.645 1.511 285 HG2 GLU 35 2HG GLU 35 2.870 6.237 2.569 286 HG3 GLU 35 3HG GLU 35 3.780 4.734 2.611 287 H ILE 36 H ILE 36 6.777 4.964 0.616 288 HA ILE 36 HA ILE 36 5.534 2.402 0.818 289 HB ILE 36 HB ILE 36 7.461 3.205 -1.401 290 HG12 ILE 36 2HG1 ILE 36 4.497 3.942 -1.239 291 HG13 ILE 36 3HG1 ILE 36 5.830 5.077 -1.040 292 HG21 ILE 36 1HG2 ILE 36 6.679 0.870 -1.415 293 HG22 ILE 36 2HG2 ILE 36 6.011 1.752 -2.787 294 HG23 ILE 36 3HG2 ILE 36 4.998 1.412 -1.382 295 HD11 ILE 36 3HD1 ILE 36 6.525 4.657 -3.353 296 HD12 ILE 36 1HD1 ILE 36 4.863 5.240 -3.248 297 HD13 ILE 36 2HD1 ILE 36 5.177 3.531 -3.549 298 H ILE 37 H ILE 37 8.891 3.528 0.984 299 HA ILE 37 HA ILE 37 10.249 1.061 1.047 300 HB ILE 37 HB ILE 37 10.948 3.693 2.424 301 HG12 ILE 37 2HG1 ILE 37 11.960 2.522 -0.215 302 HG13 ILE 37 3HG1 ILE 37 10.765 3.805 -0.074 303 HG21 ILE 37 1HG2 ILE 37 13.280 2.874 2.580 304 HG22 ILE 37 2HG2 ILE 37 12.776 1.303 1.953 305 HG23 ILE 37 3HG2 ILE 37 12.182 1.862 3.518 306 HD11 ILE 37 3HD1 ILE 37 12.459 5.262 0.939 307 HD12 ILE 37 1HD1 ILE 37 12.933 4.688 -0.660 308 HD13 ILE 37 2HD1 ILE 37 13.655 3.973 0.780 309 H ARG 38 H ARG 38 8.770 2.973 3.672 310 HA ARG 38 HA ARG 38 9.381 1.210 5.812 311 HB2 ARG 38 2HB ARG 38 8.657 3.582 6.116 312 HB3 ARG 38 3HB ARG 38 7.041 3.151 5.569 313 HG2 ARG 38 2HG ARG 38 7.124 3.339 8.013 314 HG3 ARG 38 3HG ARG 38 6.750 1.684 7.528 315 HD2 ARG 38 2HD ARG 38 9.075 1.009 7.950 316 HD3 ARG 38 3HD ARG 38 9.503 2.674 8.361 317 HE ARG 38 HE ARG 38 7.534 2.143 10.117 318 HH11 ARG 38 1HH1 ARG 38 10.391 0.324 9.351 319 HH12 ARG 38 2HH1 ARG 38 10.547 -0.285 10.957 320 HH21 ARG 38 1HH2 ARG 38 7.780 1.344 12.155 321 HH22 ARG 38 2HH2 ARG 38 9.098 0.277 12.513 322 H LEU 39 H LEU 39 6.574 1.417 3.617 323 HA LEU 39 HA LEU 39 5.026 -0.700 4.653 324 HB2 LEU 39 2HB LEU 39 5.241 0.348 1.811 325 HB3 LEU 39 3HB LEU 39 4.024 -0.807 2.331 326 HG LEU 39 HG LEU 39 4.288 2.017 3.446 327 HD11 LEU 39 1HD1 LEU 39 2.317 0.972 1.388 328 HD12 LEU 39 2HD1 LEU 39 3.652 2.084 1.078 329 HD13 LEU 39 3HD1 LEU 39 2.316 2.586 2.109 330 HD21 LEU 39 3HD2 LEU 39 3.249 0.462 5.042 331 HD22 LEU 39 1HD2 LEU 39 2.085 -0.049 3.816 332 HD23 LEU 39 2HD2 LEU 39 2.063 1.608 4.426 333 H MET 40 H MET 40 7.740 -0.743 2.325 334 HA MET 40 HA MET 40 7.590 -3.484 1.591 335 HB2 MET 40 2HB MET 40 9.991 -1.613 1.622 336 HB3 MET 40 3HB MET 40 10.017 -3.223 0.920 337 HG2 MET 40 2HG MET 40 8.116 -2.419 -0.602 338 HG3 MET 40 3HG MET 40 8.516 -0.794 -0.051 339 HE1 MET 40 3HE MET 40 11.761 -1.180 0.283 340 HE2 MET 40 1HE MET 40 11.038 0.275 -0.404 341 HE3 MET 40 2HE MET 40 12.311 -0.577 -1.279 342 H LYS 41 H LYS 41 9.145 -1.828 4.293 343 HA LYS 41 HA LYS 41 10.557 -4.058 5.390 344 HB2 LYS 41 2HB LYS 41 9.577 -1.493 6.713 345 HB3 LYS 41 3HB LYS 41 10.696 -2.635 7.455 346 HG2 LYS 41 2HG LYS 41 12.382 -2.167 5.764 347 HG3 LYS 41 3HG LYS 41 11.256 -1.141 4.870 348 HD2 LYS 41 2HD LYS 41 11.189 0.452 6.761 349 HD3 LYS 41 3HD LYS 41 12.282 -0.586 7.683 350 HE2 LYS 41 2HE LYS 41 12.977 0.776 5.054 351 HE3 LYS 41 3HE LYS 41 13.445 1.355 6.653 352 HZ1 LYS 41 3HZ LYS 41 14.267 -1.221 5.416 353 HZ2 LYS 41 1HZ LYS 41 14.671 -0.721 6.983 354 HZ3 LYS 41 2HZ LYS 41 15.242 0.140 5.647 355 H ILE 42 H ILE 42 7.310 -2.711 5.978 356 HA ILE 42 HA ILE 42 6.750 -4.486 8.214 357 HB ILE 42 HB ILE 42 4.845 -2.586 6.773 358 HG12 ILE 42 2HG1 ILE 42 6.749 -1.337 7.760 359 HG13 ILE 42 3HG1 ILE 42 5.261 -0.986 8.626 360 HG21 ILE 42 1HG2 ILE 42 3.457 -2.747 8.824 361 HG22 ILE 42 2HG2 ILE 42 4.572 -3.952 9.478 362 HG23 ILE 42 3HG2 ILE 42 3.637 -4.308 8.024 363 HD11 ILE 42 3HD1 ILE 42 7.473 -2.825 9.550 364 HD12 ILE 42 1HD1 ILE 42 5.969 -2.508 10.424 365 HD13 ILE 42 2HD1 ILE 42 7.121 -1.204 10.148 366 H THR 43 H THR 43 5.099 -3.985 5.049 367 HA THR 43 HA THR 43 3.466 -6.316 5.236 368 HB THR 43 HB THR 43 2.696 -5.836 2.981 369 HG1 THR 43 HG1 THR 43 4.341 -3.698 2.421 370 HG21 THR 43 3HG2 THR 43 2.038 -3.453 3.143 371 HG22 THR 43 1HG2 THR 43 3.230 -3.209 4.424 372 HG23 THR 43 2HG2 THR 43 1.847 -4.275 4.693 373 H GLY 44 H GLY 44 6.543 -5.641 3.591 374 HA2 GLY 44 2HA GLY 44 8.205 -7.278 3.128 375 HA3 GLY 44 3HA GLY 44 6.973 -8.527 3.091 376 H LEU 45 H LEU 45 5.657 -6.106 1.334 377 HA LEU 45 HA LEU 45 6.147 -7.325 -1.247 378 HB2 LEU 45 2HB LEU 45 4.649 -4.779 -0.532 379 HB3 LEU 45 3HB LEU 45 4.529 -5.649 -2.053 380 HG LEU 45 HG LEU 45 3.663 -6.826 0.623 381 HD11 LEU 45 1HD1 LEU 45 2.282 -4.864 0.133 382 HD12 LEU 45 2HD1 LEU 45 1.348 -6.349 -0.025 383 HD13 LEU 45 3HD1 LEU 45 1.909 -5.504 -1.471 384 HD21 LEU 45 3HD2 LEU 45 3.087 -7.728 -2.221 385 HD22 LEU 45 1HD2 LEU 45 2.472 -8.481 -0.746 386 HD23 LEU 45 2HD2 LEU 45 4.198 -8.507 -1.092 387 H THR 46 H THR 46 6.516 -5.687 -3.187 388 HA THR 46 HA THR 46 8.924 -4.026 -2.636 389 HB THR 46 HB THR 46 9.374 -4.196 -5.111 390 HG1 THR 46 HG1 THR 46 8.025 -5.236 -6.409 391 HG21 THR 46 3HG2 THR 46 10.098 -6.556 -5.142 392 HG22 THR 46 1HG2 THR 46 9.098 -6.892 -3.725 393 HG23 THR 46 2HG2 THR 46 10.480 -5.802 -3.595 394 H LYS 47 H LYS 47 9.133 -1.976 -3.879 395 HA LYS 47 HA LYS 47 7.050 -0.268 -3.214 396 HB2 LYS 47 2HB LYS 47 9.350 0.503 -3.360 397 HB3 LYS 47 3HB LYS 47 9.389 0.211 -5.094 398 HG2 LYS 47 2HG LYS 47 7.925 2.051 -5.541 399 HG3 LYS 47 3HG LYS 47 7.489 2.215 -3.843 400 HD2 LYS 47 2HD LYS 47 9.007 4.017 -4.540 401 HD3 LYS 47 3HD LYS 47 9.759 3.003 -3.308 402 HE2 LYS 47 2HE LYS 47 11.147 1.912 -4.964 403 HE3 LYS 47 3HE LYS 47 10.284 2.708 -6.286 404 HZ1 LYS 47 3HZ LYS 47 11.859 4.121 -4.213 405 HZ2 LYS 47 1HZ LYS 47 11.142 4.812 -5.575 406 HZ3 LYS 47 2HZ LYS 47 12.437 3.739 -5.752 407 H GLY 48 H GLY 48 7.866 -1.416 -6.507 408 HA2 GLY 48 2HA GLY 48 5.829 0.016 -7.892 409 HA3 GLY 48 3HA GLY 48 6.690 -1.389 -8.491 410 H GLU 49 H GLU 49 5.868 -3.166 -6.368 411 HA GLU 49 HA GLU 49 3.418 -4.192 -7.416 412 HB2 GLU 49 2HB GLU 49 5.446 -5.418 -6.230 413 HB3 GLU 49 3HB GLU 49 4.612 -5.034 -4.742 414 HG2 GLU 49 2HG GLU 49 3.190 -6.539 -6.936 415 HG3 GLU 49 3HG GLU 49 4.305 -7.378 -5.870 416 H ILE 50 H ILE 50 4.292 -2.433 -4.481 417 HA ILE 50 HA ILE 50 1.830 -2.490 -3.102 418 HB ILE 50 HB ILE 50 4.222 -0.611 -2.946 419 HG12 ILE 50 2HG1 ILE 50 3.293 -2.842 -1.076 420 HG13 ILE 50 3HG1 ILE 50 4.583 -2.990 -2.262 421 HG21 ILE 50 1HG2 ILE 50 1.843 -0.642 -1.059 422 HG22 ILE 50 2HG2 ILE 50 2.308 0.674 -2.137 423 HG23 ILE 50 3HG2 ILE 50 3.351 0.237 -0.784 424 HD11 ILE 50 3HD1 ILE 50 4.592 -1.230 0.187 425 HD12 ILE 50 1HD1 ILE 50 5.880 -1.298 -1.021 426 HD13 ILE 50 2HD1 ILE 50 5.496 -2.724 -0.058 427 H LYS 51 H LYS 51 3.189 -0.001 -5.313 428 HA LYS 51 HA LYS 51 1.051 1.855 -5.078 429 HB2 LYS 51 2HB LYS 51 3.097 1.462 -7.286 430 HB3 LYS 51 3HB LYS 51 1.951 2.801 -7.259 431 HG2 LYS 51 2HG LYS 51 2.902 3.591 -5.125 432 HG3 LYS 51 3HG LYS 51 4.055 2.252 -5.134 433 HD2 LYS 51 2HD LYS 51 3.892 4.418 -7.273 434 HD3 LYS 51 3HD LYS 51 5.029 4.426 -5.923 435 HE2 LYS 51 2HE LYS 51 6.088 2.389 -6.750 436 HE3 LYS 51 3HE LYS 51 4.892 2.250 -8.041 437 HZ1 LYS 51 3HZ LYS 51 6.803 4.497 -7.737 438 HZ2 LYS 51 1HZ LYS 51 5.718 4.271 -9.012 439 HZ3 LYS 51 2HZ LYS 51 7.003 3.195 -8.793 440 H LYS 52 H LYS 52 1.445 -0.981 -7.159 441 HA LYS 52 HA LYS 52 -0.773 -0.571 -8.869 442 HB2 LYS 52 2HB LYS 52 0.483 -3.161 -7.886 443 HB3 LYS 52 3HB LYS 52 -0.779 -3.100 -9.117 444 HG2 LYS 52 2HG LYS 52 0.722 -1.704 -10.542 445 HG3 LYS 52 3HG LYS 52 1.990 -1.867 -9.323 446 HD2 LYS 52 2HD LYS 52 2.002 -4.316 -9.654 447 HD3 LYS 52 3HD LYS 52 0.710 -4.170 -10.850 448 HE2 LYS 52 2HE LYS 52 2.219 -2.823 -12.292 449 HE3 LYS 52 3HE LYS 52 3.507 -3.003 -11.100 450 HZ1 LYS 52 3HZ LYS 52 3.699 -4.573 -12.949 451 HZ2 LYS 52 1HZ LYS 52 2.205 -5.248 -12.542 452 HZ3 LYS 52 2HZ LYS 52 3.504 -5.372 -11.471 453 H TRP 53 H TRP 53 -0.593 -1.856 -5.549 454 HA TRP 53 HA TRP 53 -3.271 -2.724 -5.282 455 HB2 TRP 53 2HB TRP 53 -1.571 -3.280 -3.579 456 HB3 TRP 53 3HB TRP 53 -1.438 -1.589 -3.121 457 HD1 TRP 53 HD1 TRP 53 -3.754 -4.637 -2.706 458 HE1 TRP 53 HE1 TRP 53 -5.442 -4.150 -0.844 459 HE3 TRP 53 HE3 TRP 53 -2.728 0.318 -1.887 460 HZ2 TRP 53 HZ2 TRP 53 -6.257 -2.006 0.759 461 HZ3 TRP 53 HZ3 TRP 53 -4.026 1.517 -0.177 462 HH2 TRP 53 HH2 TRP 53 -5.759 0.380 1.122 463 H PHE 54 H PHE 54 -1.805 0.476 -4.593 464 HA PHE 54 HA PHE 54 -4.147 1.804 -3.720 465 HB2 PHE 54 2HB PHE 54 -1.591 2.889 -4.969 466 HB3 PHE 54 3HB PHE 54 -2.869 3.937 -4.367 467 HD1 PHE 54 HD1 PHE 54 -0.361 1.381 -3.340 468 HD2 PHE 54 HD2 PHE 54 -3.071 4.406 -2.024 469 HE1 PHE 54 HE1 PHE 54 0.601 1.275 -1.081 470 HE2 PHE 54 HE2 PHE 54 -2.094 4.293 0.225 471 HZ PHE 54 HZ PHE 54 -0.264 2.724 0.704 472 H SER 55 H SER 55 -2.884 1.218 -6.958 473 HA SER 55 HA SER 55 -4.729 2.853 -8.414 474 HB2 SER 55 2HB SER 55 -3.178 0.385 -9.311 475 HB3 SER 55 3HB SER 55 -4.001 1.516 -10.388 476 HG SER 55 HG SER 55 -1.884 2.197 -8.604 477 H ASP 56 H ASP 56 -4.724 -0.612 -7.508 478 HA ASP 56 HA ASP 56 -7.208 -1.300 -8.725 479 HB2 ASP 56 2HB ASP 56 -5.665 -2.649 -6.474 480 HB3 ASP 56 3HB ASP 56 -7.088 -3.351 -7.240 481 H THR 57 H THR 57 -6.393 -0.056 -5.522 482 HA THR 57 HA THR 57 -8.936 -0.559 -4.293 483 HB THR 57 HB THR 57 -6.715 1.357 -3.437 484 HG1 THR 57 HG1 THR 57 -5.782 -0.497 -3.017 485 HG21 THR 57 3HG2 THR 57 -9.061 0.283 -1.810 486 HG22 THR 57 1HG2 THR 57 -8.835 1.961 -2.315 487 HG23 THR 57 2HG2 THR 57 -7.716 1.226 -1.167 488 H ARG 58 H ARG 58 -7.429 2.288 -5.829 489 HA ARG 58 HA ARG 58 -9.722 3.976 -5.525 490 HB2 ARG 58 2HB ARG 58 -7.040 4.240 -6.747 491 HB3 ARG 58 3HB ARG 58 -8.277 5.107 -7.643 492 HG2 ARG 58 2HG ARG 58 -7.689 5.460 -4.673 493 HG3 ARG 58 3HG ARG 58 -7.189 6.559 -5.969 494 HD2 ARG 58 2HD ARG 58 -9.542 7.010 -6.525 495 HD3 ARG 58 3HD ARG 58 -10.076 5.870 -5.291 496 HE ARG 58 HE ARG 58 -9.059 7.421 -3.631 497 HH11 ARG 58 1HH1 ARG 58 -9.782 8.750 -6.738 498 HH12 ARG 58 2HH1 ARG 58 -10.321 10.259 -6.092 499 HH21 ARG 58 1HH2 ARG 58 -9.777 9.381 -2.817 500 HH22 ARG 58 2HH2 ARG 58 -10.293 10.621 -3.905 501 H TYR 59 H TYR 59 -8.756 1.665 -8.019 502 HA TYR 59 HA TYR 59 -10.802 2.207 -9.909 503 HB2 TYR 59 2HB TYR 59 -8.999 0.693 -10.512 504 HB3 TYR 59 3HB TYR 59 -9.384 -0.392 -9.183 505 HD1 TYR 59 HD2 TYR 59 -10.751 0.933 -12.416 506 HD2 TYR 59 HD1 TYR 59 -10.893 -2.232 -9.544 507 HE1 TYR 59 HE2 TYR 59 -12.198 -0.370 -13.919 508 HE2 TYR 59 HE1 TYR 59 -12.343 -3.531 -11.046 509 HH TYR 59 HH TYR 59 -13.982 -3.013 -12.916 510 H ASN 60 H ASN 60 -10.735 -0.153 -7.216 511 HA ASN 60 HA ASN 60 -13.494 -0.878 -7.430 512 HB2 ASN 60 2HB ASN 60 -11.329 -1.536 -5.414 513 HB3 ASN 60 3HB ASN 60 -12.992 -2.054 -5.157 514 HD21 ASN 60 1HD2 ASN 60 -10.107 -2.596 -6.992 515 HD22 ASN 60 2HD2 ASN 60 -10.649 -3.996 -7.823 516 H GLN 61 H GLN 61 -12.047 1.835 -6.018 517 HA GLN 61 HA GLN 61 -14.040 2.472 -4.053 518 HB2 GLN 61 2HB GLN 61 -11.722 3.472 -4.186 519 HB3 GLN 61 3HB GLN 61 -12.202 4.344 -5.628 520 HG2 GLN 61 2HG GLN 61 -13.694 4.766 -3.036 521 HG3 GLN 61 3HG GLN 61 -12.142 5.550 -3.291 522 HE21 GLN 61 1HE2 GLN 61 -15.510 5.525 -4.160 523 HE22 GLN 61 2HE2 GLN 61 -15.487 6.983 -5.082 524 H ARG 62 H ARG 62 -13.625 3.113 -7.522 525 HA ARG 62 HA ARG 62 -16.284 4.441 -7.675 526 HB2 ARG 62 2HB ARG 62 -15.447 5.422 -9.820 527 HB3 ARG 62 3HB ARG 62 -14.488 5.888 -8.419 528 HG2 ARG 62 2HG ARG 62 -12.790 4.166 -9.044 529 HG3 ARG 62 3HG ARG 62 -13.733 3.793 -10.489 530 HD2 ARG 62 2HD ARG 62 -11.803 5.329 -10.923 531 HD3 ARG 62 3HD ARG 62 -13.362 6.025 -11.376 532 HE ARG 62 HE ARG 62 -13.016 6.957 -8.863 533 HH11 ARG 62 1HH1 ARG 62 -10.865 7.039 -11.588 534 HH12 ARG 62 2HH1 ARG 62 -10.201 8.563 -11.116 535 HH21 ARG 62 1HH2 ARG 62 -12.140 8.895 -8.315 536 HH22 ARG 62 2HH2 ARG 62 -10.902 9.587 -9.305 537 H ASN 63 H ASN 63 -15.239 1.381 -8.052 538 HA ASN 63 HA ASN 63 -17.188 0.712 -10.134 539 HB2 ASN 63 2HB ASN 63 -14.915 1.264 -11.259 540 HB3 ASN 63 3HB ASN 63 -14.304 -0.214 -10.527 541 HD21 ASN 63 1HD2 ASN 63 -16.416 1.141 -12.939 542 HD22 ASN 63 2HD2 ASN 63 -16.693 -0.328 -13.796 543 H SER 64 H SER 64 -17.745 -1.582 -10.173 544 HA SER 64 HA SER 64 -16.534 -3.499 -8.401 545 HB2 SER 64 2HB SER 64 -18.401 -3.768 -6.799 546 HB3 SER 64 3HB SER 64 -17.759 -2.129 -6.714 547 HG SER 64 HG SER 64 -20.252 -3.005 -7.448 548 H LYS 65 H LYS 65 -19.516 -2.638 -10.168 549 HA LYS 65 HA LYS 65 -21.069 -3.774 -11.348 550 HB2 LYS 65 2HB LYS 65 -18.723 -5.635 -11.811 551 HB3 LYS 65 3HB LYS 65 -20.312 -6.054 -12.430 552 HG2 LYS 65 2HG LYS 65 -19.137 -5.051 -14.232 553 HG3 LYS 65 3HG LYS 65 -20.319 -3.863 -13.683 554 HD2 LYS 65 2HD LYS 65 -18.540 -2.652 -12.462 555 HD3 LYS 65 3HD LYS 65 -17.360 -3.859 -12.983 556 HE2 LYS 65 2HE LYS 65 -18.905 -1.967 -14.792 557 HE3 LYS 65 3HE LYS 65 -17.198 -1.846 -14.369 558 HZ1 LYS 65 3HZ LYS 65 -17.486 -2.817 -16.549 559 HZ2 LYS 65 1HZ LYS 65 -18.450 -4.054 -15.916 560 HZ3 LYS 65 2HZ LYS 65 -16.815 -3.960 -15.497 561 H SER 66 H SER 66 -22.115 -6.174 -11.584 562 HA SER 66 HA SER 66 -22.404 -7.370 -8.875 563 HB2 SER 66 2HB SER 66 -24.451 -6.111 -9.532 564 HB3 SER 66 3HB SER 66 -24.584 -7.080 -11.000 565 HG SER 66 HG SER 66 -25.599 -8.505 -9.846 566 H ASN 67 H ASN 67 -21.094 -9.130 -9.080 567 HA ASN 67 HA ASN 67 -21.458 -10.991 -11.368 568 HB2 ASN 67 2HB ASN 67 -19.077 -10.521 -9.522 569 HB3 ASN 67 3HB ASN 67 -19.168 -11.876 -10.645 570 HD21 ASN 67 1HD2 ASN 67 -18.944 -8.383 -10.400 571 HD22 ASN 67 2HD2 ASN 67 -18.384 -8.123 -12.011 572 H GLN 68 H GLN 68 -21.175 -13.301 -10.890 573 HA GLN 68 HA GLN 68 -22.404 -14.126 -8.312 574 HB2 GLN 68 2HB GLN 68 -23.301 -16.074 -9.533 575 HB3 GLN 68 3HB GLN 68 -23.804 -14.576 -10.306 576 HG2 GLN 68 2HG GLN 68 -21.991 -14.891 -12.005 577 HG3 GLN 68 3HG GLN 68 -21.608 -16.444 -11.261 578 HE21 GLN 68 1HE2 GLN 68 -22.087 -17.573 -13.178 579 HE22 GLN 68 2HE2 GLN 68 -23.699 -17.764 -13.765 580 H CYS 69 H CYS 69 -21.825 -16.501 -7.744 581 HA CYS 69 HA CYS 69 -19.015 -16.834 -7.403 582 HB2 CYS 69 2HB CYS 69 -20.578 -17.746 -5.765 583 HB3 CYS 69 3HB CYS 69 -21.301 -18.800 -6.975 584 HG CYS 69 HG CYS 69 -19.922 -20.697 -5.846 585 H LEU 70 H LEU 70 -17.863 -17.003 -9.286 586 HA LEU 70 HA LEU 70 -18.594 -18.503 -11.582 587 HB2 LEU 70 2HB LEU 70 -16.967 -16.509 -11.367 588 HB3 LEU 70 3HB LEU 70 -15.760 -17.671 -10.861 589 HG LEU 70 HG LEU 70 -17.166 -17.820 -13.566 590 HD11 LEU 70 1HD1 LEU 70 -14.512 -16.483 -12.945 591 HD12 LEU 70 2HD1 LEU 70 -16.002 -15.675 -13.434 592 HD13 LEU 70 3HD1 LEU 70 -15.180 -16.751 -14.560 593 HD21 LEU 70 3HD2 LEU 70 -14.578 -19.111 -12.622 594 HD22 LEU 70 1HD2 LEU 70 -15.245 -19.212 -14.255 595 HD23 LEU 70 2HD2 LEU 70 -16.111 -19.938 -12.904 596 H HIS 71 H HIS 71 -18.578 -20.641 -11.839 597 HA HIS 71 HA HIS 71 -16.781 -22.369 -10.218 598 HB2 HIS 71 2HB HIS 71 -19.190 -22.468 -9.508 599 HB3 HIS 71 3HB HIS 71 -19.640 -22.978 -11.129 600 HD1 HIS 71 HD1 HIS 71 -17.883 -24.192 -8.021 601 HD2 HIS 71 HD2 HIS 71 -19.305 -25.712 -11.622 602 HE1 HIS 71 HE1 HIS 71 -17.738 -26.690 -7.804 603 HE2 HIS 71 HE2 HIS 71 -18.746 -27.583 -9.927 604 H LEU 72 H LEU 72 -15.174 -22.748 -11.739 605 HA LEU 72 HA LEU 72 -15.872 -23.527 -14.495 606 HB2 LEU 72 2HB LEU 72 -14.103 -21.802 -14.125 607 HB3 LEU 72 3HB LEU 72 -13.151 -22.985 -13.247 608 HG LEU 72 HG LEU 72 -13.041 -24.372 -15.376 609 HD11 LEU 72 1HD1 LEU 72 -13.541 -23.305 -17.522 610 HD12 LEU 72 2HD1 LEU 72 -14.197 -21.895 -16.689 611 HD13 LEU 72 3HD1 LEU 72 -14.995 -23.463 -16.539 612 HD21 LEU 72 3HD2 LEU 72 -11.819 -21.595 -15.522 613 HD22 LEU 72 1HD2 LEU 72 -11.291 -23.007 -16.443 614 HD23 LEU 72 2HD2 LEU 72 -11.137 -22.994 -14.689 615 H ASN 73 H ASN 73 -16.408 -25.652 -14.628 616 HA ASN 73 HA ASN 73 -14.371 -27.676 -14.205 617 HB2 ASN 73 2HB ASN 73 -15.598 -27.540 -11.973 618 HB3 ASN 73 3HB ASN 73 -17.071 -28.031 -12.802 619 HD21 ASN 73 1HD2 ASN 73 -17.192 -30.193 -13.622 620 HD22 ASN 73 2HD2 ASN 73 -16.144 -31.432 -13.033 621 H ASN 74 H ASN 74 -15.013 -29.773 -15.246 622 HA ASN 74 HA ASN 74 -16.024 -29.377 -17.832 623 HB2 ASN 74 2HB ASN 74 -15.831 -31.857 -18.099 624 HB3 ASN 74 3HB ASN 74 -14.398 -31.121 -17.395 625 HD21 ASN 74 1HD2 ASN 74 -17.072 -33.260 -16.835 626 HD22 ASN 74 2HD2 ASN 74 -16.520 -33.889 -15.326 Start of MODEL 14 1 H1 SER 1 1H SER 1 15.075 2.987 -24.716 2 H2 SER 1 2H SER 1 14.319 2.677 -23.238 3 H3 SER 1 3H SER 1 13.811 3.979 -24.185 4 HA SER 1 HA SER 1 13.046 2.497 -25.904 5 HB2 SER 1 2HB SER 1 14.644 0.650 -25.529 6 HB3 SER 1 3HB SER 1 13.885 0.280 -23.979 7 HG SER 1 HG SER 1 13.271 -0.890 -26.105 8 H HIS 2 H HIS 2 10.832 2.099 -25.922 9 HA HIS 2 HA HIS 2 9.310 2.805 -23.581 10 HB2 HIS 2 2HB HIS 2 8.630 3.545 -25.836 11 HB3 HIS 2 3HB HIS 2 8.399 1.873 -26.337 12 HD1 HIS 2 HD1 HIS 2 6.089 0.942 -26.007 13 HD2 HIS 2 HD2 HIS 2 6.690 4.380 -23.751 14 HE1 HIS 2 HE1 HIS 2 3.869 1.459 -24.971 15 HE2 HIS 2 HE2 HIS 2 4.223 3.612 -23.733 16 H MET 3 H MET 3 10.465 -0.171 -24.821 17 HA MET 3 HA MET 3 8.386 -1.990 -24.423 18 HB2 MET 3 2HB MET 3 11.385 -2.487 -24.246 19 HB3 MET 3 3HB MET 3 10.168 -3.744 -24.441 20 HG2 MET 3 2HG MET 3 9.526 -2.789 -26.614 21 HG3 MET 3 3HG MET 3 10.738 -1.519 -26.415 22 HE1 MET 3 3HE MET 3 10.608 -3.360 -29.013 23 HE2 MET 3 1HE MET 3 12.304 -3.785 -29.234 24 HE3 MET 3 2HE MET 3 11.861 -2.137 -28.788 25 HA PRO 4 HA PRO 4 8.574 -1.890 -19.832 26 HB2 PRO 4 2HB PRO 4 5.967 -2.064 -19.330 27 HB3 PRO 4 3HB PRO 4 6.593 -0.635 -20.171 28 HG2 PRO 4 2HG PRO 4 5.171 -3.037 -21.305 29 HG3 PRO 4 3HG PRO 4 4.961 -1.322 -21.711 30 HD2 PRO 4 2HD PRO 4 6.578 -3.171 -23.120 31 HD3 PRO 4 3HD PRO 4 6.646 -1.404 -23.281 32 H ASP 5 H ASP 5 7.010 -3.426 -18.198 33 HA ASP 5 HA ASP 5 7.852 -6.171 -18.592 34 HB2 ASP 5 2HB ASP 5 6.093 -4.888 -16.449 35 HB3 ASP 5 3HB ASP 5 6.670 -6.555 -16.403 36 H SER 6 H SER 6 6.789 -7.440 -20.020 37 HA SER 6 HA SER 6 4.079 -7.132 -20.869 38 HB2 SER 6 2HB SER 6 5.910 -9.566 -21.144 39 HB3 SER 6 3HB SER 6 4.418 -9.294 -22.049 40 HG SER 6 HG SER 6 6.209 -8.684 -23.284 41 H PHE 7 H PHE 7 5.665 -9.662 -18.876 42 HA PHE 7 HA PHE 7 3.114 -10.185 -17.448 43 HB2 PHE 7 2HB PHE 7 5.216 -12.253 -18.256 44 HB3 PHE 7 3HB PHE 7 3.782 -12.585 -17.288 45 HD1 PHE 7 HD2 PHE 7 1.483 -12.366 -18.358 46 HD2 PHE 7 HD1 PHE 7 5.082 -12.175 -20.666 47 HE1 PHE 7 HE2 PHE 7 0.198 -12.794 -20.413 48 HE2 PHE 7 HE1 PHE 7 3.783 -12.596 -22.714 49 HZ PHE 7 HZ PHE 7 1.343 -12.909 -22.591 50 H GLY 8 H GLY 8 3.300 -9.693 -15.359 51 HA2 GLY 8 2HA GLY 8 5.661 -10.423 -13.776 52 HA3 GLY 8 3HA GLY 8 5.252 -8.712 -13.840 53 H ILE 9 H ILE 9 3.378 -11.716 -13.561 54 HA ILE 9 HA ILE 9 1.472 -10.505 -11.741 55 HB ILE 9 HB ILE 9 1.644 -13.337 -12.891 56 HG12 ILE 9 2HG1 ILE 9 -0.522 -12.576 -14.095 57 HG13 ILE 9 3HG1 ILE 9 -0.128 -10.940 -13.590 58 HG21 ILE 9 1HG2 ILE 9 -0.652 -13.705 -11.985 59 HG22 ILE 9 2HG2 ILE 9 -0.545 -12.164 -11.131 60 HG23 ILE 9 3HG2 ILE 9 0.550 -13.481 -10.713 61 HD11 ILE 9 3HD1 ILE 9 1.957 -11.071 -14.904 62 HD12 ILE 9 1HD1 ILE 9 0.512 -11.320 -15.883 63 HD13 ILE 9 2HD1 ILE 9 1.506 -12.699 -15.420 64 H ARG 10 H ARG 10 1.936 -10.340 -9.621 65 HA ARG 10 HA ARG 10 3.266 -12.581 -8.188 66 HB2 ARG 10 2HB ARG 10 3.286 -9.599 -7.534 67 HB3 ARG 10 3HB ARG 10 3.954 -10.848 -6.485 68 HG2 ARG 10 2HG ARG 10 5.603 -11.446 -8.188 69 HG3 ARG 10 3HG ARG 10 4.914 -10.274 -9.312 70 HD2 ARG 10 2HD ARG 10 5.600 -8.427 -7.882 71 HD3 ARG 10 3HD ARG 10 6.158 -9.550 -6.632 72 HE ARG 10 HE ARG 10 7.610 -10.303 -8.779 73 HH11 ARG 10 1HH1 ARG 10 7.170 -7.171 -7.352 74 HH12 ARG 10 2HH1 ARG 10 8.749 -6.641 -7.809 75 HH21 ARG 10 1HH2 ARG 10 9.606 -9.597 -9.333 76 HH22 ARG 10 2HH2 ARG 10 10.111 -8.000 -8.903 77 H ALA 11 H ALA 11 1.170 -9.784 -7.284 78 HA ALA 11 HA ALA 11 -0.728 -9.560 -6.044 79 HB1 ALA 11 3HB ALA 11 -2.548 -11.168 -6.451 80 HB2 ALA 11 1HB ALA 11 -1.394 -12.326 -7.119 81 HB3 ALA 11 2HB ALA 11 -1.698 -10.803 -7.953 82 H LYS 12 H LYS 12 1.594 -10.644 -4.746 83 HA LYS 12 HA LYS 12 0.939 -12.852 -3.013 84 HB2 LYS 12 2HB LYS 12 3.186 -12.399 -4.110 85 HB3 LYS 12 3HB LYS 12 3.389 -11.031 -3.028 86 HG2 LYS 12 2HG LYS 12 4.665 -12.974 -2.260 87 HG3 LYS 12 3HG LYS 12 3.415 -12.537 -1.092 88 HD2 LYS 12 2HD LYS 12 1.975 -14.365 -1.954 89 HD3 LYS 12 3HD LYS 12 3.228 -14.797 -3.123 90 HE2 LYS 12 2HE LYS 12 4.756 -15.397 -1.301 91 HE3 LYS 12 3HE LYS 12 3.568 -14.878 -0.104 92 HZ1 LYS 12 3HZ LYS 12 3.566 -17.269 -0.381 93 HZ2 LYS 12 1HZ LYS 12 3.218 -17.109 -2.028 94 HZ3 LYS 12 2HZ LYS 12 2.086 -16.613 -0.871 95 H LYS 13 H LYS 13 0.174 -9.622 -2.824 96 HA LYS 13 HA LYS 13 0.616 -8.771 -0.207 97 HB2 LYS 13 2HB LYS 13 -1.675 -8.158 -2.110 98 HB3 LYS 13 3HB LYS 13 -1.388 -7.268 -0.619 99 HG2 LYS 13 2HG LYS 13 0.711 -6.425 -1.432 100 HG3 LYS 13 3HG LYS 13 0.665 -7.481 -2.837 101 HD2 LYS 13 2HD LYS 13 -1.316 -5.231 -2.309 102 HD3 LYS 13 3HD LYS 13 0.103 -5.095 -3.351 103 HE2 LYS 13 2HE LYS 13 -2.251 -6.963 -3.768 104 HE3 LYS 13 3HE LYS 13 -1.895 -5.504 -4.692 105 HZ1 LYS 13 3HZ LYS 13 -1.198 -7.506 -5.849 106 HZ2 LYS 13 1HZ LYS 13 -0.162 -7.918 -4.573 107 HZ3 LYS 13 2HZ LYS 13 0.128 -6.529 -5.492 108 H THR 14 H THR 14 0.156 -9.965 1.568 109 HA THR 14 HA THR 14 -2.165 -11.692 1.829 110 HB THR 14 HB THR 14 -1.223 -12.470 3.898 111 HG1 THR 14 HG1 THR 14 0.639 -11.306 4.824 112 HG21 THR 14 3HG2 THR 14 0.079 -13.221 1.928 113 HG22 THR 14 1HG2 THR 14 1.115 -13.043 3.346 114 HG23 THR 14 2HG2 THR 14 1.131 -11.813 2.083 115 H LYS 15 H LYS 15 -3.374 -11.576 4.064 116 HA LYS 15 HA LYS 15 -4.961 -9.269 4.154 117 HB2 LYS 15 2HB LYS 15 -4.551 -11.374 6.313 118 HB3 LYS 15 3HB LYS 15 -5.860 -10.192 6.313 119 HG2 LYS 15 2HG LYS 15 -6.758 -11.140 4.234 120 HG3 LYS 15 3HG LYS 15 -5.417 -12.287 4.158 121 HD2 LYS 15 2HD LYS 15 -6.189 -13.315 6.287 122 HD3 LYS 15 3HD LYS 15 -7.541 -12.178 6.341 123 HE2 LYS 15 2HE LYS 15 -8.429 -13.117 4.245 124 HE3 LYS 15 3HE LYS 15 -7.058 -14.224 4.143 125 HZ1 LYS 15 3HZ LYS 15 -9.113 -14.193 6.281 126 HZ2 LYS 15 1HZ LYS 15 -7.792 -15.245 6.207 127 HZ3 LYS 15 2HZ LYS 15 -8.998 -15.323 5.028 128 H GLU 16 H GLU 16 -2.263 -10.163 6.333 129 HA GLU 16 HA GLU 16 -2.415 -7.953 8.100 130 HB2 GLU 16 2HB GLU 16 0.007 -9.637 7.325 131 HB3 GLU 16 3HB GLU 16 -0.058 -8.551 8.709 132 HG2 GLU 16 2HG GLU 16 -1.755 -11.041 8.321 133 HG3 GLU 16 3HG GLU 16 -0.352 -10.890 9.379 134 H GLN 17 H GLN 17 -0.715 -8.393 5.041 135 HA GLN 17 HA GLN 17 0.771 -5.956 5.052 136 HB2 GLN 17 2HB GLN 17 -0.049 -7.771 2.738 137 HB3 GLN 17 3HB GLN 17 1.158 -6.486 2.641 138 HG2 GLN 17 2HG GLN 17 2.523 -7.661 4.349 139 HG3 GLN 17 3HG GLN 17 1.338 -8.963 4.390 140 HE21 GLN 17 1HE2 GLN 17 4.187 -9.042 3.699 141 HE22 GLN 17 2HE2 GLN 17 4.267 -9.715 2.115 142 H LEU 18 H LEU 18 -2.290 -6.917 3.526 143 HA LEU 18 HA LEU 18 -2.944 -4.511 2.223 144 HB2 LEU 18 2HB LEU 18 -4.757 -6.698 3.307 145 HB3 LEU 18 3HB LEU 18 -5.304 -5.401 2.255 146 HG LEU 18 HG LEU 18 -3.254 -7.519 1.491 147 HD11 LEU 18 1HD1 LEU 18 -6.155 -7.265 0.642 148 HD12 LEU 18 2HD1 LEU 18 -5.473 -8.512 1.688 149 HD13 LEU 18 3HD1 LEU 18 -4.988 -8.423 -0.003 150 HD21 LEU 18 3HD2 LEU 18 -3.437 -6.618 -0.782 151 HD22 LEU 18 1HD2 LEU 18 -2.827 -5.405 0.338 152 HD23 LEU 18 2HD2 LEU 18 -4.506 -5.337 -0.206 153 H ALA 19 H ALA 19 -3.461 -5.571 5.547 154 HA ALA 19 HA ALA 19 -5.294 -3.594 6.393 155 HB1 ALA 19 3HB ALA 19 -3.228 -5.088 8.039 156 HB2 ALA 19 1HB ALA 19 -4.862 -5.645 7.670 157 HB3 ALA 19 2HB ALA 19 -4.622 -4.217 8.680 158 H GLU 20 H GLU 20 -1.715 -3.667 6.638 159 HA GLU 20 HA GLU 20 -1.363 -1.051 7.691 160 HB2 GLU 20 2HB GLU 20 0.539 -2.832 6.114 161 HB3 GLU 20 3HB GLU 20 1.029 -1.317 6.858 162 HG2 GLU 20 2HG GLU 20 -0.070 -3.712 8.370 163 HG3 GLU 20 3HG GLU 20 1.640 -3.318 8.194 164 H LEU 21 H LEU 21 -1.457 -2.256 4.349 165 HA LEU 21 HA LEU 21 -0.806 0.134 2.988 166 HB2 LEU 21 2HB LEU 21 -2.495 -2.243 2.128 167 HB3 LEU 21 3HB LEU 21 -2.073 -0.932 1.042 168 HG LEU 21 HG LEU 21 -0.087 -2.827 2.363 169 HD11 LEU 21 1HD1 LEU 21 0.261 -3.729 0.096 170 HD12 LEU 21 2HD1 LEU 21 -1.019 -2.686 -0.526 171 HD13 LEU 21 3HD1 LEU 21 -1.402 -3.959 0.634 172 HD21 LEU 21 3HD2 LEU 21 0.400 -0.598 0.352 173 HD22 LEU 21 1HD2 LEU 21 1.603 -1.775 0.892 174 HD23 LEU 21 2HD2 LEU 21 0.924 -0.623 2.037 175 H LYS 22 H LYS 22 -3.961 -1.112 4.115 176 HA LYS 22 HA LYS 22 -5.568 0.884 2.868 177 HB2 LYS 22 2HB LYS 22 -6.152 -1.062 5.116 178 HB3 LYS 22 3HB LYS 22 -7.351 0.113 4.593 179 HG2 LYS 22 2HG LYS 22 -7.264 -0.845 2.305 180 HG3 LYS 22 3HG LYS 22 -6.113 -2.053 2.866 181 HD2 LYS 22 2HD LYS 22 -8.927 -1.756 4.000 182 HD3 LYS 22 3HD LYS 22 -8.522 -2.843 2.676 183 HE2 LYS 22 2HE LYS 22 -8.564 -4.187 4.637 184 HE3 LYS 22 3HE LYS 22 -6.860 -3.962 4.256 185 HZ1 LYS 22 3HZ LYS 22 -8.373 -2.435 6.307 186 HZ2 LYS 22 1HZ LYS 22 -6.719 -2.301 5.988 187 HZ3 LYS 22 2HZ LYS 22 -7.344 -3.737 6.623 188 H VAL 23 H VAL 23 -4.184 0.661 6.157 189 HA VAL 23 HA VAL 23 -5.186 3.062 7.235 190 HB VAL 23 HB VAL 23 -2.456 1.760 7.706 191 HG11 VAL 23 1HG1 VAL 23 -2.373 4.106 8.436 192 HG12 VAL 23 2HG1 VAL 23 -2.375 3.042 9.839 193 HG13 VAL 23 3HG1 VAL 23 -3.850 3.896 9.381 194 HG21 VAL 23 3HG2 VAL 23 -5.049 1.532 9.294 195 HG22 VAL 23 1HG2 VAL 23 -3.505 0.795 9.735 196 HG23 VAL 23 2HG2 VAL 23 -4.342 0.281 8.271 197 H SER 24 H SER 24 -2.291 2.466 5.252 198 HA SER 24 HA SER 24 -1.362 5.154 5.108 199 HB2 SER 24 2HB SER 24 0.060 3.141 4.631 200 HB3 SER 24 3HB SER 24 -0.823 2.906 3.123 201 HG SER 24 HG SER 24 -0.001 4.839 2.359 202 H TYR 25 H TYR 25 -3.745 3.360 3.202 203 HA TYR 25 HA TYR 25 -3.933 5.194 1.006 204 HB2 TYR 25 2HB TYR 25 -4.652 2.846 0.764 205 HB3 TYR 25 3HB TYR 25 -5.916 3.083 1.966 206 HD1 TYR 25 HD1 TYR 25 -4.803 4.228 -1.434 207 HD2 TYR 25 HD2 TYR 25 -8.093 3.839 1.270 208 HE1 TYR 25 HE1 TYR 25 -6.347 4.946 -3.208 209 HE2 TYR 25 HE2 TYR 25 -9.636 4.546 -0.507 210 HH TYR 25 HH TYR 25 -9.541 5.874 -2.600 211 H LEU 26 H LEU 26 -5.712 4.809 4.046 212 HA LEU 26 HA LEU 26 -7.733 6.740 3.636 213 HB2 LEU 26 2HB LEU 26 -6.491 5.750 6.226 214 HB3 LEU 26 3HB LEU 26 -7.965 6.701 6.136 215 HG LEU 26 HG LEU 26 -7.615 3.914 4.955 216 HD11 LEU 26 1HD1 LEU 26 -9.131 4.748 7.445 217 HD12 LEU 26 2HD1 LEU 26 -7.629 3.822 7.396 218 HD13 LEU 26 3HD1 LEU 26 -9.109 3.129 6.738 219 HD21 LEU 26 3HD2 LEU 26 -9.225 5.224 3.653 220 HD22 LEU 26 1HD2 LEU 26 -10.116 5.629 5.123 221 HD23 LEU 26 2HD2 LEU 26 -10.047 3.958 4.559 222 H LYS 27 H LYS 27 -4.394 7.116 4.510 223 HA LYS 27 HA LYS 27 -4.629 9.972 5.191 224 HB2 LYS 27 2HB LYS 27 -2.190 8.152 4.965 225 HB3 LYS 27 3HB LYS 27 -2.187 9.792 5.610 226 HG2 LYS 27 2HG LYS 27 -3.418 9.135 7.560 227 HG3 LYS 27 3HG LYS 27 -3.830 7.566 6.860 228 HD2 LYS 27 2HD LYS 27 -2.048 7.371 8.577 229 HD3 LYS 27 3HD LYS 27 -1.497 6.841 6.988 230 HE2 LYS 27 2HE LYS 27 -0.386 9.064 6.676 231 HE3 LYS 27 3HE LYS 27 -0.878 9.504 8.313 232 HZ1 LYS 27 3HZ LYS 27 0.921 7.273 7.551 233 HZ2 LYS 27 1HZ LYS 27 0.391 7.596 9.127 234 HZ3 LYS 27 2HZ LYS 27 1.367 8.713 8.316 235 H ASN 28 H ASN 28 -2.723 7.995 2.916 236 HA ASN 28 HA ASN 28 -2.706 10.137 0.871 237 HB2 ASN 28 2HB ASN 28 -0.398 8.327 1.728 238 HB3 ASN 28 3HB ASN 28 -0.368 9.303 0.262 239 HD21 ASN 28 1HD2 ASN 28 1.328 9.370 2.641 240 HD22 ASN 28 2HD2 ASN 28 1.288 11.003 3.180 241 H GLN 29 H GLN 29 -3.950 9.383 -0.746 242 HA GLN 29 HA GLN 29 -4.294 6.593 -1.401 243 HB2 GLN 29 2HB GLN 29 -5.112 9.052 -3.012 244 HB3 GLN 29 3HB GLN 29 -5.768 7.425 -3.175 245 HG2 GLN 29 2HG GLN 29 -6.808 7.556 -0.982 246 HG3 GLN 29 3HG GLN 29 -6.008 9.093 -0.655 247 HE21 GLN 29 1HE2 GLN 29 -7.966 10.123 -0.263 248 HE22 GLN 29 2HE2 GLN 29 -9.073 10.519 -1.524 249 H PHE 30 H PHE 30 -2.047 9.036 -2.310 250 HA PHE 30 HA PHE 30 -0.761 7.278 -4.309 251 HB2 PHE 30 2HB PHE 30 -1.070 10.310 -4.615 252 HB3 PHE 30 3HB PHE 30 -0.219 9.243 -5.726 253 HD1 PHE 30 HD2 PHE 30 -1.513 7.654 -7.177 254 HD2 PHE 30 HD1 PHE 30 -3.504 10.494 -4.665 255 HE1 PHE 30 HE2 PHE 30 -3.603 7.305 -8.425 256 HE2 PHE 30 HE1 PHE 30 -5.589 10.131 -5.917 257 HZ PHE 30 HZ PHE 30 -5.643 8.536 -7.797 258 HA PRO 31 HA PRO 31 2.475 8.479 -1.132 259 HB2 PRO 31 2HB PRO 31 3.766 6.073 -1.092 260 HB3 PRO 31 3HB PRO 31 2.269 6.353 -0.194 261 HG2 PRO 31 2HG PRO 31 2.647 5.025 -2.874 262 HG3 PRO 31 3HG PRO 31 1.669 4.485 -1.490 263 HD2 PRO 31 2HD PRO 31 0.588 5.781 -3.637 264 HD3 PRO 31 3HD PRO 31 -0.079 5.943 -1.999 265 H HIS 32 H HIS 32 4.721 8.969 -1.428 266 HA HIS 32 HA HIS 32 5.534 9.343 -4.211 267 HB2 HIS 32 2HB HIS 32 6.677 10.455 -1.616 268 HB3 HIS 32 3HB HIS 32 7.342 10.810 -3.209 269 HD2 HIS 32 HD2 HIS 32 5.842 12.549 -4.796 270 HE1 HIS 32 HE1 HIS 32 3.067 13.511 -1.753 271 HE2 HIS 32 HE2 HIS 32 4.064 14.233 -3.961 272 H ASP 33 H ASP 33 7.655 8.516 -1.373 273 HA ASP 33 HA ASP 33 8.713 6.201 -2.803 274 HB2 ASP 33 2HB ASP 33 11.091 7.047 -2.761 275 HB3 ASP 33 3HB ASP 33 10.045 7.911 -3.872 276 H SER 34 H SER 34 9.545 8.334 -0.020 277 HA SER 34 HA SER 34 10.870 6.385 1.514 278 HB2 SER 34 2HB SER 34 9.485 8.931 2.451 279 HB3 SER 34 3HB SER 34 10.655 8.005 3.392 280 HG SER 34 HG SER 34 11.160 9.250 0.880 281 H GLU 35 H GLU 35 7.482 7.420 1.534 282 HA GLU 35 HA GLU 35 6.599 5.809 3.709 283 HB2 GLU 35 2HB GLU 35 5.392 7.809 2.888 284 HB3 GLU 35 3HB GLU 35 5.030 6.991 1.373 285 HG2 GLU 35 2HG GLU 35 3.588 5.394 2.527 286 HG3 GLU 35 3HG GLU 35 4.050 6.063 4.094 287 H ILE 36 H ILE 36 6.852 5.205 0.207 288 HA ILE 36 HA ILE 36 5.511 2.701 0.099 289 HB ILE 36 HB ILE 36 7.773 3.736 -1.679 290 HG12 ILE 36 2HG1 ILE 36 4.741 3.861 -2.055 291 HG13 ILE 36 3HG1 ILE 36 5.786 5.224 -1.674 292 HG21 ILE 36 1HG2 ILE 36 7.003 2.100 -3.378 293 HG22 ILE 36 2HG2 ILE 36 5.831 1.451 -2.228 294 HG23 ILE 36 3HG2 ILE 36 7.560 1.289 -1.915 295 HD11 ILE 36 3HD1 ILE 36 5.141 5.254 -3.992 296 HD12 ILE 36 1HD1 ILE 36 5.788 3.633 -4.236 297 HD13 ILE 36 2HD1 ILE 36 6.876 4.973 -3.862 298 H ILE 37 H ILE 37 8.992 3.489 0.508 299 HA ILE 37 HA ILE 37 9.942 0.818 0.733 300 HB ILE 37 HB ILE 37 11.234 3.347 1.859 301 HG12 ILE 37 2HG1 ILE 37 11.628 2.064 -0.897 302 HG13 ILE 37 3HG1 ILE 37 10.724 3.543 -0.592 303 HG21 ILE 37 1HG2 ILE 37 12.507 0.672 1.121 304 HG22 ILE 37 2HG2 ILE 37 12.257 1.282 2.756 305 HG23 ILE 37 3HG2 ILE 37 13.376 2.106 1.675 306 HD11 ILE 37 3HD1 ILE 37 12.787 4.632 0.177 307 HD12 ILE 37 1HD1 ILE 37 12.914 4.032 -1.476 308 HD13 ILE 37 2HD1 ILE 37 13.684 3.149 -0.160 309 H ARG 38 H ARG 38 8.822 3.168 3.141 310 HA ARG 38 HA ARG 38 9.338 1.815 5.538 311 HB2 ARG 38 2HB ARG 38 8.511 4.104 5.538 312 HB3 ARG 38 3HB ARG 38 7.019 3.625 4.739 313 HG2 ARG 38 2HG ARG 38 6.386 2.322 6.786 314 HG3 ARG 38 3HG ARG 38 7.840 2.928 7.583 315 HD2 ARG 38 2HD ARG 38 7.021 5.230 7.399 316 HD3 ARG 38 3HD ARG 38 5.608 4.682 6.487 317 HE ARG 38 HE ARG 38 6.120 3.924 9.309 318 HH11 ARG 38 1HH1 ARG 38 3.902 4.948 6.857 319 HH12 ARG 38 2HH1 ARG 38 2.540 4.876 7.916 320 HH21 ARG 38 1HH2 ARG 38 4.353 3.849 10.639 321 HH22 ARG 38 2HH2 ARG 38 2.796 4.267 10.018 322 H LEU 39 H LEU 39 6.392 1.688 3.491 323 HA LEU 39 HA LEU 39 5.042 -0.361 4.883 324 HB2 LEU 39 2HB LEU 39 4.821 0.473 1.969 325 HB3 LEU 39 3HB LEU 39 3.693 -0.605 2.778 326 HG LEU 39 HG LEU 39 4.163 2.295 3.592 327 HD11 LEU 39 1HD1 LEU 39 1.864 1.145 1.979 328 HD12 LEU 39 2HD1 LEU 39 3.147 2.186 1.357 329 HD13 LEU 39 3HD1 LEU 39 2.008 2.812 2.548 330 HD21 LEU 39 3HD2 LEU 39 2.026 0.324 4.498 331 HD22 LEU 39 1HD2 LEU 39 2.120 2.031 4.948 332 HD23 LEU 39 2HD2 LEU 39 3.379 0.914 5.467 333 H MET 40 H MET 40 7.340 -0.528 2.152 334 HA MET 40 HA MET 40 7.125 -3.202 1.398 335 HB2 MET 40 2HB MET 40 9.473 -1.277 1.338 336 HB3 MET 40 3HB MET 40 9.646 -2.917 0.736 337 HG2 MET 40 2HG MET 40 8.170 -2.543 -1.062 338 HG3 MET 40 3HG MET 40 7.483 -1.101 -0.320 339 HE1 MET 40 3HE MET 40 11.381 -1.695 -0.321 340 HE2 MET 40 1HE MET 40 11.830 -1.073 -1.908 341 HE3 MET 40 2HE MET 40 10.890 -2.558 -1.780 342 H LYS 41 H LYS 41 9.155 -1.815 3.992 343 HA LYS 41 HA LYS 41 10.310 -4.431 4.642 344 HB2 LYS 41 2HB LYS 41 10.895 -1.703 5.843 345 HB3 LYS 41 3HB LYS 41 11.824 -3.171 6.127 346 HG2 LYS 41 2HG LYS 41 12.429 -3.228 3.716 347 HG3 LYS 41 3HG LYS 41 11.523 -1.739 3.467 348 HD2 LYS 41 2HD LYS 41 14.005 -2.044 5.210 349 HD3 LYS 41 3HD LYS 41 13.957 -1.326 3.603 350 HE2 LYS 41 2HE LYS 41 13.984 0.541 5.023 351 HE3 LYS 41 3HE LYS 41 12.273 0.373 4.646 352 HZ1 LYS 41 3HZ LYS 41 12.629 0.799 6.986 353 HZ2 LYS 41 1HZ LYS 41 13.616 -0.565 7.128 354 HZ3 LYS 41 2HZ LYS 41 11.975 -0.741 6.782 355 H ILE 42 H ILE 42 7.686 -2.500 5.821 356 HA ILE 42 HA ILE 42 7.535 -3.881 8.406 357 HB ILE 42 HB ILE 42 5.618 -1.921 7.051 358 HG12 ILE 42 2HG1 ILE 42 7.685 -0.876 7.919 359 HG13 ILE 42 3HG1 ILE 42 6.301 -0.361 8.874 360 HG21 ILE 42 1HG2 ILE 42 4.311 -1.865 9.181 361 HG22 ILE 42 2HG2 ILE 42 5.280 -3.209 9.793 362 HG23 ILE 42 3HG2 ILE 42 4.240 -3.440 8.388 363 HD11 ILE 42 3HD1 ILE 42 8.355 -2.429 9.674 364 HD12 ILE 42 1HD1 ILE 42 6.940 -1.973 10.628 365 HD13 ILE 42 2HD1 ILE 42 8.200 -0.788 10.297 366 H THR 43 H THR 43 5.474 -3.713 5.478 367 HA THR 43 HA THR 43 3.766 -5.875 6.136 368 HB THR 43 HB THR 43 2.959 -5.768 3.812 369 HG1 THR 43 HG1 THR 43 4.445 -3.750 2.829 370 HG21 THR 43 3HG2 THR 43 3.508 -2.971 4.859 371 HG22 THR 43 1HG2 THR 43 2.152 -3.998 5.337 372 HG23 THR 43 2HG2 THR 43 2.273 -3.408 3.678 373 H GLY 44 H GLY 44 6.605 -5.672 3.965 374 HA2 GLY 44 2HA GLY 44 8.149 -7.522 3.668 375 HA3 GLY 44 3HA GLY 44 6.812 -8.642 3.888 376 H LEU 45 H LEU 45 6.477 -5.782 1.913 377 HA LEU 45 HA LEU 45 5.987 -7.465 -0.468 378 HB2 LEU 45 2HB LEU 45 5.024 -4.719 0.372 379 HB3 LEU 45 3HB LEU 45 4.825 -5.285 -1.280 380 HG LEU 45 HG LEU 45 3.685 -6.725 1.149 381 HD11 LEU 45 1HD1 LEU 45 1.491 -5.862 0.438 382 HD12 LEU 45 2HD1 LEU 45 2.272 -4.886 -0.808 383 HD13 LEU 45 3HD1 LEU 45 2.585 -4.557 0.898 384 HD21 LEU 45 3HD2 LEU 45 2.405 -8.013 -0.519 385 HD22 LEU 45 1HD2 LEU 45 4.138 -8.216 -0.767 386 HD23 LEU 45 2HD2 LEU 45 3.213 -7.152 -1.830 387 H THR 46 H THR 46 6.332 -6.410 -2.596 388 HA THR 46 HA THR 46 8.920 -5.014 -2.803 389 HB THR 46 HB THR 46 8.768 -5.492 -5.247 390 HG1 THR 46 HG1 THR 46 6.579 -7.219 -4.796 391 HG21 THR 46 3HG2 THR 46 8.382 -7.978 -3.544 392 HG22 THR 46 1HG2 THR 46 9.911 -7.138 -3.805 393 HG23 THR 46 2HG2 THR 46 9.098 -7.931 -5.156 394 H LYS 47 H LYS 47 8.979 -3.350 -4.633 395 HA LYS 47 HA LYS 47 7.360 -1.151 -4.019 396 HB2 LYS 47 2HB LYS 47 9.610 -0.910 -4.935 397 HB3 LYS 47 3HB LYS 47 9.127 -1.694 -6.436 398 HG2 LYS 47 2HG LYS 47 7.636 0.190 -6.968 399 HG3 LYS 47 3HG LYS 47 8.067 0.981 -5.450 400 HD2 LYS 47 2HD LYS 47 10.034 0.328 -7.684 401 HD3 LYS 47 3HD LYS 47 9.277 1.904 -7.448 402 HE2 LYS 47 2HE LYS 47 11.113 0.517 -5.461 403 HE3 LYS 47 3HE LYS 47 11.558 1.858 -6.519 404 HZ1 LYS 47 3HZ LYS 47 11.039 2.635 -4.298 405 HZ2 LYS 47 1HZ LYS 47 9.494 1.956 -4.386 406 HZ3 LYS 47 2HZ LYS 47 9.915 3.239 -5.406 407 H GLY 48 H GLY 48 7.319 -3.205 -6.958 408 HA2 GLY 48 2HA GLY 48 5.260 -1.956 -8.374 409 HA3 GLY 48 3HA GLY 48 5.746 -3.627 -8.570 410 H GLU 49 H GLU 49 5.005 -4.458 -5.881 411 HA GLU 49 HA GLU 49 2.265 -5.114 -6.144 412 HB2 GLU 49 2HB GLU 49 4.214 -5.212 -3.814 413 HB3 GLU 49 3HB GLU 49 2.540 -5.719 -3.609 414 HG2 GLU 49 2HG GLU 49 4.351 -6.910 -5.723 415 HG3 GLU 49 3HG GLU 49 4.249 -7.546 -4.084 416 H ILE 50 H ILE 50 3.858 -2.767 -3.987 417 HA ILE 50 HA ILE 50 1.473 -1.735 -2.810 418 HB ILE 50 HB ILE 50 4.306 -0.612 -2.960 419 HG12 ILE 50 2HG1 ILE 50 2.847 -2.168 -0.767 420 HG13 ILE 50 3HG1 ILE 50 4.120 -2.797 -1.807 421 HG21 ILE 50 1HG2 ILE 50 2.045 0.350 -1.163 422 HG22 ILE 50 2HG2 ILE 50 2.772 1.254 -2.492 423 HG23 ILE 50 3HG2 ILE 50 3.731 0.871 -1.064 424 HD11 ILE 50 3HD1 ILE 50 4.418 -0.657 0.291 425 HD12 ILE 50 1HD1 ILE 50 5.705 -1.225 -0.777 426 HD13 ILE 50 2HD1 ILE 50 4.971 -2.327 0.387 427 H LYS 51 H LYS 51 3.594 -0.418 -5.361 428 HA LYS 51 HA LYS 51 2.374 1.966 -6.030 429 HB2 LYS 51 2HB LYS 51 3.788 -0.075 -7.791 430 HB3 LYS 51 3HB LYS 51 3.301 1.499 -8.396 431 HG2 LYS 51 2HG LYS 51 5.159 1.163 -6.022 432 HG3 LYS 51 3HG LYS 51 5.739 1.250 -7.684 433 HD2 LYS 51 2HD LYS 51 4.115 3.409 -6.282 434 HD3 LYS 51 3HD LYS 51 5.866 3.440 -6.511 435 HE2 LYS 51 2HE LYS 51 5.551 3.467 -8.961 436 HE3 LYS 51 3HE LYS 51 3.800 3.410 -8.744 437 HZ1 LYS 51 3HZ LYS 51 5.633 5.610 -7.986 438 HZ2 LYS 51 1HZ LYS 51 4.011 5.544 -7.510 439 HZ3 LYS 51 2HZ LYS 51 4.407 5.639 -9.146 440 H LYS 52 H LYS 52 1.695 -1.239 -7.469 441 HA LYS 52 HA LYS 52 -0.441 -0.316 -9.137 442 HB2 LYS 52 2HB LYS 52 0.989 -2.301 -9.671 443 HB3 LYS 52 3HB LYS 52 0.238 -3.180 -8.342 444 HG2 LYS 52 2HG LYS 52 -1.955 -3.009 -9.457 445 HG3 LYS 52 3HG LYS 52 -1.221 -2.098 -10.778 446 HD2 LYS 52 2HD LYS 52 0.183 -4.071 -11.340 447 HD3 LYS 52 3HD LYS 52 -0.583 -4.977 -10.030 448 HE2 LYS 52 2HE LYS 52 -2.769 -4.768 -11.156 449 HE3 LYS 52 3HE LYS 52 -2.019 -3.838 -12.456 450 HZ1 LYS 52 3HZ LYS 52 -2.292 -6.110 -13.116 451 HZ2 LYS 52 1HZ LYS 52 -1.442 -6.664 -11.761 452 HZ3 LYS 52 2HZ LYS 52 -0.643 -5.777 -12.958 453 H TRP 53 H TRP 53 -0.287 -1.668 -5.859 454 HA TRP 53 HA TRP 53 -2.982 -2.428 -5.537 455 HB2 TRP 53 2HB TRP 53 -1.219 -3.045 -3.899 456 HB3 TRP 53 3HB TRP 53 -1.099 -1.368 -3.382 457 HD1 TRP 53 HD1 TRP 53 -3.449 -4.411 -3.163 458 HE1 TRP 53 HE1 TRP 53 -5.126 -4.029 -1.263 459 HE3 TRP 53 HE3 TRP 53 -2.308 0.436 -1.990 460 HZ2 TRP 53 HZ2 TRP 53 -5.889 -1.978 0.484 461 HZ3 TRP 53 HZ3 TRP 53 -3.577 1.543 -0.199 462 HH2 TRP 53 HH2 TRP 53 -5.336 0.358 1.016 463 H PHE 54 H PHE 54 -1.418 0.705 -4.717 464 HA PHE 54 HA PHE 54 -3.740 2.017 -3.787 465 HB2 PHE 54 2HB PHE 54 -1.091 3.060 -4.830 466 HB3 PHE 54 3HB PHE 54 -2.376 4.175 -4.388 467 HD1 PHE 54 HD1 PHE 54 0.078 1.743 -3.065 468 HD2 PHE 54 HD2 PHE 54 -3.032 4.487 -2.043 469 HE1 PHE 54 HE1 PHE 54 0.750 1.637 -0.702 470 HE2 PHE 54 HE2 PHE 54 -2.344 4.378 0.311 471 HZ PHE 54 HZ PHE 54 -0.462 2.950 0.990 472 H SER 55 H SER 55 -2.567 1.534 -7.068 473 HA SER 55 HA SER 55 -4.345 3.313 -8.425 474 HB2 SER 55 2HB SER 55 -3.062 0.731 -9.431 475 HB3 SER 55 3HB SER 55 -3.809 1.966 -10.448 476 HG SER 55 HG SER 55 -1.508 2.134 -10.312 477 H ASP 56 H ASP 56 -4.529 -0.259 -7.925 478 HA ASP 56 HA ASP 56 -7.141 -0.576 -9.016 479 HB2 ASP 56 2HB ASP 56 -5.367 -2.370 -7.332 480 HB3 ASP 56 3HB ASP 56 -6.988 -2.879 -7.795 481 H THR 57 H THR 57 -6.070 0.157 -5.767 482 HA THR 57 HA THR 57 -8.601 -0.414 -4.485 483 HB THR 57 HB THR 57 -6.140 1.045 -3.430 484 HG1 THR 57 HG1 THR 57 -5.521 -1.003 -3.461 485 HG21 THR 57 3HG2 THR 57 -8.584 0.077 -1.882 486 HG22 THR 57 1HG2 THR 57 -8.121 1.762 -2.128 487 HG23 THR 57 2HG2 THR 57 -7.100 0.699 -1.156 488 H ARG 58 H ARG 58 -6.972 2.481 -5.789 489 HA ARG 58 HA ARG 58 -8.933 4.375 -4.997 490 HB2 ARG 58 2HB ARG 58 -6.505 4.526 -6.360 491 HB3 ARG 58 3HB ARG 58 -7.640 4.897 -7.642 492 HG2 ARG 58 2HG ARG 58 -7.416 6.366 -4.992 493 HG3 ARG 58 3HG ARG 58 -6.778 6.934 -6.535 494 HD2 ARG 58 2HD ARG 58 -9.036 7.143 -7.438 495 HD3 ARG 58 3HD ARG 58 -9.728 6.433 -5.973 496 HE ARG 58 HE ARG 58 -8.206 8.690 -5.269 497 HH11 ARG 58 1HH1 ARG 58 -11.200 7.990 -6.874 498 HH12 ARG 58 2HH1 ARG 58 -11.919 9.485 -6.402 499 HH21 ARG 58 1HH2 ARG 58 -9.151 10.562 -4.656 500 HH22 ARG 58 2HH2 ARG 58 -10.769 10.927 -5.143 501 H TYR 59 H TYR 59 -8.631 2.291 -7.843 502 HA TYR 59 HA TYR 59 -10.993 2.999 -9.224 503 HB2 TYR 59 2HB TYR 59 -9.135 1.700 -10.236 504 HB3 TYR 59 3HB TYR 59 -9.477 0.348 -9.165 505 HD1 TYR 59 HD2 TYR 59 -10.711 2.246 -12.116 506 HD2 TYR 59 HD1 TYR 59 -11.312 -1.214 -9.673 507 HE1 TYR 59 HE2 TYR 59 -12.236 1.312 -13.804 508 HE2 TYR 59 HE1 TYR 59 -12.837 -2.141 -11.356 509 HH TYR 59 HH TYR 59 -14.290 -1.297 -13.205 510 H ASN 60 H ASN 60 -10.371 0.525 -6.734 511 HA ASN 60 HA ASN 60 -12.952 -0.710 -6.835 512 HB2 ASN 60 2HB ASN 60 -10.795 -1.815 -6.055 513 HB3 ASN 60 3HB ASN 60 -10.914 -0.878 -4.570 514 HD21 ASN 60 1HD2 ASN 60 -11.159 -2.674 -3.225 515 HD22 ASN 60 2HD2 ASN 60 -12.558 -3.683 -3.243 516 H GLN 61 H GLN 61 -11.565 1.909 -4.986 517 HA GLN 61 HA GLN 61 -13.499 2.146 -2.902 518 HB2 GLN 61 2HB GLN 61 -11.201 3.044 -2.773 519 HB3 GLN 61 3HB GLN 61 -11.533 4.167 -4.076 520 HG2 GLN 61 2HG GLN 61 -13.168 4.329 -1.554 521 HG3 GLN 61 3HG GLN 61 -11.520 4.949 -1.547 522 HE21 GLN 61 1HE2 GLN 61 -14.022 6.407 -1.203 523 HE22 GLN 61 2HE2 GLN 61 -14.039 7.617 -2.434 524 H ARG 62 H ARG 62 -13.235 3.522 -6.157 525 HA ARG 62 HA ARG 62 -15.829 4.921 -5.907 526 HB2 ARG 62 2HB ARG 62 -15.226 6.024 -8.023 527 HB3 ARG 62 3HB ARG 62 -13.933 6.195 -6.843 528 HG2 ARG 62 2HG ARG 62 -12.746 4.278 -7.979 529 HG3 ARG 62 3HG ARG 62 -13.983 4.331 -9.233 530 HD2 ARG 62 2HD ARG 62 -12.101 6.604 -8.510 531 HD3 ARG 62 3HD ARG 62 -11.936 5.536 -9.906 532 HE ARG 62 HE ARG 62 -14.423 7.050 -9.691 533 HH11 ARG 62 1HH1 ARG 62 -11.344 6.775 -11.239 534 HH12 ARG 62 2HH1 ARG 62 -11.743 7.942 -12.450 535 HH21 ARG 62 1HH2 ARG 62 -14.904 8.507 -11.254 536 HH22 ARG 62 2HH2 ARG 62 -13.729 8.907 -12.462 537 H ASN 63 H ASN 63 -15.106 1.844 -6.436 538 HA ASN 63 HA ASN 63 -16.623 1.307 -8.885 539 HB2 ASN 63 2HB ASN 63 -14.487 0.052 -8.133 540 HB3 ASN 63 3HB ASN 63 -15.494 -0.753 -6.939 541 HD21 ASN 63 1HD2 ASN 63 -14.018 -1.974 -9.049 542 HD22 ASN 63 2HD2 ASN 63 -15.149 -2.787 -10.063 543 H SER 64 H SER 64 -18.657 0.434 -8.963 544 HA SER 64 HA SER 64 -20.410 0.586 -6.667 545 HB2 SER 64 2HB SER 64 -21.259 1.254 -8.863 546 HB3 SER 64 3HB SER 64 -20.899 -0.334 -9.535 547 HG SER 64 HG SER 64 -22.830 -0.855 -8.940 548 H LYS 65 H LYS 65 -20.638 -1.008 -5.215 549 HA LYS 65 HA LYS 65 -20.981 -2.974 -4.189 550 HB2 LYS 65 2HB LYS 65 -22.587 -3.361 -6.073 551 HB3 LYS 65 3HB LYS 65 -21.326 -4.191 -6.963 552 HG2 LYS 65 2HG LYS 65 -22.146 -5.198 -4.231 553 HG3 LYS 65 3HG LYS 65 -23.155 -5.556 -5.627 554 HD2 LYS 65 2HD LYS 65 -20.222 -6.315 -5.331 555 HD3 LYS 65 3HD LYS 65 -21.591 -7.406 -5.103 556 HE2 LYS 65 2HE LYS 65 -22.225 -7.112 -7.478 557 HE3 LYS 65 3HE LYS 65 -20.877 -5.994 -7.702 558 HZ1 LYS 65 3HZ LYS 65 -20.624 -8.858 -6.955 559 HZ2 LYS 65 1HZ LYS 65 -19.345 -7.774 -7.192 560 HZ3 LYS 65 2HZ LYS 65 -20.337 -8.207 -8.489 561 H SER 66 H SER 66 -19.254 -3.677 -3.101 562 HA SER 66 HA SER 66 -17.396 -5.611 -4.202 563 HB2 SER 66 2HB SER 66 -16.268 -3.499 -4.877 564 HB3 SER 66 3HB SER 66 -16.323 -2.921 -3.211 565 HG SER 66 HG SER 66 -14.479 -4.456 -4.378 566 H ASN 67 H ASN 67 -15.803 -6.345 -2.436 567 HA ASN 67 HA ASN 67 -17.283 -6.812 0.018 568 HB2 ASN 67 2HB ASN 67 -15.249 -8.301 0.577 569 HB3 ASN 67 3HB ASN 67 -16.230 -8.761 -0.805 570 HD21 ASN 67 1HD2 ASN 67 -14.441 -10.008 -1.543 571 HD22 ASN 67 2HD2 ASN 67 -13.105 -9.265 -2.342 572 H GLN 68 H GLN 68 -17.327 -4.729 0.996 573 HA GLN 68 HA GLN 68 -14.805 -3.418 1.717 574 HB2 GLN 68 2HB GLN 68 -17.653 -2.552 2.351 575 HB3 GLN 68 3HB GLN 68 -16.199 -1.580 2.561 576 HG2 GLN 68 2HG GLN 68 -17.431 -2.498 -0.054 577 HG3 GLN 68 3HG GLN 68 -17.357 -0.853 0.572 578 HE21 GLN 68 1HE2 GLN 68 -15.578 -3.395 -1.009 579 HE22 GLN 68 2HE2 GLN 68 -14.216 -2.437 -1.454 580 H CYS 69 H CYS 69 -14.098 -3.027 3.832 581 HA CYS 69 HA CYS 69 -14.693 -5.197 5.694 582 HB2 CYS 69 2HB CYS 69 -12.350 -4.699 5.134 583 HB3 CYS 69 3HB CYS 69 -12.531 -3.054 5.736 584 HG CYS 69 HG CYS 69 -13.297 -5.407 7.992 585 H LEU 70 H LEU 70 -16.791 -4.484 6.440 586 HA LEU 70 HA LEU 70 -17.037 -2.048 8.008 587 HB2 LEU 70 2HB LEU 70 -18.948 -4.357 7.508 588 HB3 LEU 70 3HB LEU 70 -19.310 -3.089 8.665 589 HG LEU 70 HG LEU 70 -19.078 -1.418 6.734 590 HD11 LEU 70 1HD1 LEU 70 -19.403 -2.230 4.452 591 HD12 LEU 70 2HD1 LEU 70 -19.260 -3.900 5.007 592 HD13 LEU 70 3HD1 LEU 70 -17.879 -2.807 5.124 593 HD21 LEU 70 3HD2 LEU 70 -21.374 -1.802 5.938 594 HD22 LEU 70 1HD2 LEU 70 -21.250 -2.035 7.680 595 HD23 LEU 70 2HD2 LEU 70 -21.348 -3.435 6.609 596 H HIS 71 H HIS 71 -15.788 -2.071 9.840 597 HA HIS 71 HA HIS 71 -15.860 -4.207 11.796 598 HB2 HIS 71 2HB HIS 71 -13.910 -2.702 11.727 599 HB3 HIS 71 3HB HIS 71 -14.937 -1.298 12.000 600 HD1 HIS 71 HD1 HIS 71 -13.505 -4.298 13.811 601 HD2 HIS 71 HD2 HIS 71 -15.506 -0.767 14.700 602 HE1 HIS 71 HE1 HIS 71 -13.428 -4.092 16.305 603 HE2 HIS 71 HE2 HIS 71 -14.815 -2.057 16.822 604 H LEU 72 H LEU 72 -18.070 -4.593 12.148 605 HA LEU 72 HA LEU 72 -19.788 -2.431 13.166 606 HB2 LEU 72 2HB LEU 72 -21.653 -3.991 13.039 607 HB3 LEU 72 3HB LEU 72 -20.818 -3.912 11.504 608 HG LEU 72 HG LEU 72 -20.301 -6.195 13.448 609 HD11 LEU 72 1HD1 LEU 72 -21.986 -7.546 12.290 610 HD12 LEU 72 2HD1 LEU 72 -22.466 -6.153 11.318 611 HD13 LEU 72 3HD1 LEU 72 -22.728 -6.148 13.064 612 HD21 LEU 72 3HD2 LEU 72 -18.697 -5.936 11.589 613 HD22 LEU 72 1HD2 LEU 72 -20.022 -6.047 10.424 614 HD23 LEU 72 2HD2 LEU 72 -19.620 -7.430 11.448 615 H ASN 73 H ASN 73 -20.525 -2.284 15.240 616 HA ASN 73 HA ASN 73 -19.963 -4.433 17.190 617 HB2 ASN 73 2HB ASN 73 -18.183 -2.609 17.345 618 HB3 ASN 73 3HB ASN 73 -19.451 -1.477 17.795 619 HD21 ASN 73 1HD2 ASN 73 -17.144 -2.231 19.331 620 HD22 ASN 73 2HD2 ASN 73 -17.721 -2.909 20.811 621 H ASN 74 H ASN 74 -22.027 -5.067 17.484 622 HA ASN 74 HA ASN 74 -23.973 -3.301 18.706 623 HB2 ASN 74 2HB ASN 74 -25.743 -4.086 16.883 624 HB3 ASN 74 3HB ASN 74 -24.733 -2.683 16.595 625 HD21 ASN 74 1HD2 ASN 74 -23.545 -6.019 16.269 626 HD22 ASN 74 2HD2 ASN 74 -23.385 -5.959 14.557 Start of MODEL 15 1 H1 SER 1 1H SER 1 -16.888 -31.660 -8.363 2 H2 SER 1 2H SER 1 -15.863 -32.979 -8.117 3 H3 SER 1 3H SER 1 -16.531 -32.704 -9.645 4 HA SER 1 HA SER 1 -14.216 -32.056 -9.579 5 HB2 SER 1 2HB SER 1 -16.111 -29.673 -9.783 6 HB3 SER 1 3HB SER 1 -14.497 -29.766 -10.494 7 HG SER 1 HG SER 1 -15.493 -30.573 -12.144 8 H HIS 2 H HIS 2 -12.644 -31.701 -8.092 9 HA HIS 2 HA HIS 2 -13.082 -30.002 -5.730 10 HB2 HIS 2 2HB HIS 2 -11.924 -32.165 -5.442 11 HB3 HIS 2 3HB HIS 2 -10.689 -31.683 -6.597 12 HD1 HIS 2 HD1 HIS 2 -11.847 -31.065 -3.077 13 HD2 HIS 2 HD2 HIS 2 -8.664 -30.030 -5.538 14 HE1 HIS 2 HE1 HIS 2 -10.156 -29.998 -1.574 15 HE2 HIS 2 HE2 HIS 2 -8.181 -29.523 -3.052 16 H MET 3 H MET 3 -11.367 -29.954 -8.793 17 HA MET 3 HA MET 3 -10.257 -28.429 -10.005 18 HB2 MET 3 2HB MET 3 -11.461 -26.423 -8.071 19 HB3 MET 3 3HB MET 3 -10.571 -25.972 -9.519 20 HG2 MET 3 2HG MET 3 -13.090 -27.656 -9.589 21 HG3 MET 3 3HG MET 3 -13.095 -25.900 -9.703 22 HE1 MET 3 3HE MET 3 -11.096 -28.988 -11.502 23 HE2 MET 3 1HE MET 3 -11.893 -28.836 -13.067 24 HE3 MET 3 2HE MET 3 -12.839 -29.230 -11.633 25 HA PRO 4 HA PRO 4 -6.540 -28.393 -7.265 26 HB2 PRO 4 2HB PRO 4 -4.905 -29.868 -8.791 27 HB3 PRO 4 3HB PRO 4 -6.251 -30.631 -7.929 28 HG2 PRO 4 2HG PRO 4 -6.078 -29.828 -10.838 29 HG3 PRO 4 3HG PRO 4 -6.710 -31.331 -10.131 30 HD2 PRO 4 2HD PRO 4 -8.296 -29.165 -10.896 31 HD3 PRO 4 3HD PRO 4 -8.785 -30.397 -9.713 32 H ASP 5 H ASP 5 -4.110 -27.899 -7.944 33 HA ASP 5 HA ASP 5 -2.558 -26.374 -8.577 34 HB2 ASP 5 2HB ASP 5 -4.140 -26.277 -11.173 35 HB3 ASP 5 3HB ASP 5 -2.503 -25.656 -10.964 36 H SER 6 H SER 6 -5.043 -25.399 -7.250 37 HA SER 6 HA SER 6 -5.682 -22.791 -8.325 38 HB2 SER 6 2HB SER 6 -7.402 -24.095 -7.126 39 HB3 SER 6 3HB SER 6 -6.424 -24.075 -5.659 40 HG SER 6 HG SER 6 -7.642 -21.861 -6.962 41 H PHE 7 H PHE 7 -3.939 -21.439 -8.325 42 HA PHE 7 HA PHE 7 -2.298 -21.041 -5.911 43 HB2 PHE 7 2HB PHE 7 -1.098 -21.326 -8.020 44 HB3 PHE 7 3HB PHE 7 -1.998 -20.011 -8.770 45 HD1 PHE 7 HD1 PHE 7 0.423 -20.738 -5.984 46 HD2 PHE 7 HD2 PHE 7 -1.137 -17.790 -8.672 47 HE1 PHE 7 HE1 PHE 7 2.148 -19.142 -5.256 48 HE2 PHE 7 HE2 PHE 7 0.593 -16.209 -7.934 49 HZ PHE 7 HZ PHE 7 2.237 -16.883 -6.231 50 H GLY 8 H GLY 8 -4.403 -19.149 -8.097 51 HA2 GLY 8 2HA GLY 8 -5.867 -17.416 -7.269 52 HA3 GLY 8 3HA GLY 8 -4.669 -17.000 -6.052 53 H ILE 9 H ILE 9 -5.816 -15.077 -7.719 54 HA ILE 9 HA ILE 9 -4.270 -14.606 -10.119 55 HB ILE 9 HB ILE 9 -6.337 -12.823 -8.740 56 HG12 ILE 9 2HG1 ILE 9 -7.746 -13.490 -10.835 57 HG13 ILE 9 3HG1 ILE 9 -6.578 -14.780 -11.071 58 HG21 ILE 9 1HG2 ILE 9 -5.045 -12.444 -11.472 59 HG22 ILE 9 2HG2 ILE 9 -4.817 -11.419 -10.054 60 HG23 ILE 9 3HG2 ILE 9 -6.393 -11.490 -10.841 61 HD11 ILE 9 3HD1 ILE 9 -8.583 -15.576 -9.982 62 HD12 ILE 9 1HD1 ILE 9 -8.374 -14.412 -8.672 63 HD13 ILE 9 2HD1 ILE 9 -7.206 -15.719 -8.891 64 H ARG 10 H ARG 10 -2.211 -13.895 -9.984 65 HA ARG 10 HA ARG 10 -0.376 -12.608 -9.609 66 HB2 ARG 10 2HB ARG 10 -2.025 -10.860 -10.369 67 HB3 ARG 10 3HB ARG 10 -2.408 -10.522 -8.688 68 HG2 ARG 10 2HG ARG 10 -0.123 -9.684 -8.313 69 HG3 ARG 10 3HG ARG 10 0.318 -10.083 -9.976 70 HD2 ARG 10 2HD ARG 10 -0.200 -7.659 -9.629 71 HD3 ARG 10 3HD ARG 10 -1.228 -8.426 -10.845 72 HE ARG 10 HE ARG 10 -2.328 -8.356 -8.158 73 HH11 ARG 10 1HH1 ARG 10 -2.154 -6.646 -11.160 74 HH12 ARG 10 2HH1 ARG 10 -3.643 -5.818 -10.877 75 HH21 ARG 10 1HH2 ARG 10 -4.230 -7.314 -7.861 76 HH22 ARG 10 2HH2 ARG 10 -4.797 -6.182 -9.041 77 H ALA 11 H ALA 11 -1.344 -14.364 -7.488 78 HA ALA 11 HA ALA 11 -1.082 -15.016 -5.352 79 HB1 ALA 11 3HB ALA 11 1.298 -14.453 -5.670 80 HB2 ALA 11 1HB ALA 11 0.785 -14.153 -4.006 81 HB3 ALA 11 2HB ALA 11 0.983 -12.805 -5.128 82 H LYS 12 H LYS 12 -3.046 -14.638 -4.447 83 HA LYS 12 HA LYS 12 -4.164 -12.171 -3.649 84 HB2 LYS 12 2HB LYS 12 -5.459 -14.283 -3.972 85 HB3 LYS 12 3HB LYS 12 -4.688 -14.973 -2.555 86 HG2 LYS 12 2HG LYS 12 -6.884 -14.299 -1.895 87 HG3 LYS 12 3HG LYS 12 -5.759 -13.153 -1.170 88 HD2 LYS 12 2HD LYS 12 -7.716 -11.965 -2.047 89 HD3 LYS 12 3HD LYS 12 -6.282 -11.512 -2.972 90 HE2 LYS 12 2HE LYS 12 -6.955 -12.940 -4.820 91 HE3 LYS 12 3HE LYS 12 -8.280 -13.621 -3.877 92 HZ1 LYS 12 3HZ LYS 12 -9.345 -11.481 -3.863 93 HZ2 LYS 12 1HZ LYS 12 -9.029 -11.961 -5.452 94 HZ3 LYS 12 2HZ LYS 12 -8.061 -10.788 -4.716 95 H LYS 13 H LYS 13 -3.153 -10.824 -2.229 96 HA LYS 13 HA LYS 13 -1.114 -11.654 -0.421 97 HB2 LYS 13 2HB LYS 13 -2.519 -8.949 -0.514 98 HB3 LYS 13 3HB LYS 13 -0.954 -9.294 0.225 99 HG2 LYS 13 2HG LYS 13 -0.152 -9.957 -2.109 100 HG3 LYS 13 3HG LYS 13 -1.656 -9.269 -2.726 101 HD2 LYS 13 2HD LYS 13 0.546 -7.798 -1.219 102 HD3 LYS 13 3HD LYS 13 0.169 -7.652 -2.931 103 HE2 LYS 13 2HE LYS 13 -0.787 -5.712 -2.023 104 HE3 LYS 13 3HE LYS 13 -2.169 -6.801 -2.097 105 HZ1 LYS 13 3HZ LYS 13 -2.017 -5.593 0.007 106 HZ2 LYS 13 1HZ LYS 13 -0.517 -6.308 0.325 107 HZ3 LYS 13 2HZ LYS 13 -1.911 -7.261 0.244 108 H THR 14 H THR 14 -1.010 -11.538 1.858 109 HA THR 14 HA THR 14 -3.257 -12.503 3.301 110 HB THR 14 HB THR 14 -1.877 -12.326 5.333 111 HG1 THR 14 HG1 THR 14 0.279 -11.348 5.056 112 HG21 THR 14 3HG2 THR 14 -0.166 -13.210 2.972 113 HG22 THR 14 1HG2 THR 14 -1.345 -14.217 3.822 114 HG23 THR 14 2HG2 THR 14 0.098 -13.645 4.660 115 H LYS 15 H LYS 15 -4.265 -11.529 5.190 116 HA LYS 15 HA LYS 15 -5.355 -8.955 4.724 117 HB2 LYS 15 2HB LYS 15 -5.430 -10.484 7.354 118 HB3 LYS 15 3HB LYS 15 -6.574 -9.264 6.800 119 HG2 LYS 15 2HG LYS 15 -6.199 -12.058 5.665 120 HG3 LYS 15 3HG LYS 15 -7.558 -11.482 6.634 121 HD2 LYS 15 2HD LYS 15 -8.205 -9.932 4.809 122 HD3 LYS 15 3HD LYS 15 -6.831 -10.487 3.844 123 HE2 LYS 15 2HE LYS 15 -7.814 -12.786 3.843 124 HE3 LYS 15 3HE LYS 15 -9.209 -12.164 4.730 125 HZ1 LYS 15 3HZ LYS 15 -9.650 -12.307 2.379 126 HZ2 LYS 15 1HZ LYS 15 -8.340 -11.302 2.029 127 HZ3 LYS 15 2HZ LYS 15 -9.670 -10.688 2.871 128 H GLU 16 H GLU 16 -2.559 -9.996 6.527 129 HA GLU 16 HA GLU 16 -2.204 -7.677 8.174 130 HB2 GLU 16 2HB GLU 16 -0.116 -9.722 7.311 131 HB3 GLU 16 3HB GLU 16 -0.008 -8.622 8.686 132 HG2 GLU 16 2HG GLU 16 -1.965 -10.926 8.380 133 HG3 GLU 16 3HG GLU 16 -0.531 -10.908 9.404 134 H GLN 17 H GLN 17 -0.673 -8.790 5.115 135 HA GLN 17 HA GLN 17 0.915 -6.509 4.576 136 HB2 GLN 17 2HB GLN 17 -0.366 -8.475 2.632 137 HB3 GLN 17 3HB GLN 17 0.840 -7.272 2.168 138 HG2 GLN 17 2HG GLN 17 2.492 -8.339 3.619 139 HG3 GLN 17 3HG GLN 17 1.294 -9.520 4.152 140 HE21 GLN 17 1HE2 GLN 17 3.851 -9.967 2.810 141 HE22 GLN 17 2HE2 GLN 17 3.477 -10.835 1.365 142 H LEU 18 H LEU 18 -2.447 -7.259 3.773 143 HA LEU 18 HA LEU 18 -3.055 -4.965 2.222 144 HB2 LEU 18 2HB LEU 18 -4.778 -6.864 3.852 145 HB3 LEU 18 3HB LEU 18 -5.470 -5.551 2.909 146 HG LEU 18 HG LEU 18 -3.727 -7.716 1.657 147 HD11 LEU 18 1HD1 LEU 18 -6.758 -7.671 1.768 148 HD12 LEU 18 2HD1 LEU 18 -5.701 -8.800 2.620 149 HD13 LEU 18 3HD1 LEU 18 -5.759 -8.811 0.858 150 HD21 LEU 18 3HD2 LEU 18 -4.754 -6.932 -0.457 151 HD22 LEU 18 1HD2 LEU 18 -3.851 -5.654 0.358 152 HD23 LEU 18 2HD2 LEU 18 -5.616 -5.669 0.434 153 H ALA 19 H ALA 19 -3.395 -5.633 5.729 154 HA ALA 19 HA ALA 19 -4.902 -3.424 6.531 155 HB1 ALA 19 3HB ALA 19 -4.092 -3.890 8.810 156 HB2 ALA 19 1HB ALA 19 -2.799 -4.903 8.155 157 HB3 ALA 19 2HB ALA 19 -4.487 -5.385 7.963 158 H GLU 20 H GLU 20 -1.333 -3.723 6.476 159 HA GLU 20 HA GLU 20 -0.704 -1.170 7.526 160 HB2 GLU 20 2HB GLU 20 0.958 -2.846 5.599 161 HB3 GLU 20 3HB GLU 20 1.561 -1.530 6.608 162 HG2 GLU 20 2HG GLU 20 0.470 -4.199 7.559 163 HG3 GLU 20 3HG GLU 20 2.158 -3.686 7.571 164 H LEU 21 H LEU 21 -1.127 -2.263 4.172 165 HA LEU 21 HA LEU 21 -0.447 0.169 2.864 166 HB2 LEU 21 2HB LEU 21 -2.228 -2.095 1.881 167 HB3 LEU 21 3HB LEU 21 -1.558 -0.823 0.870 168 HG LEU 21 HG LEU 21 0.021 -3.003 2.292 169 HD11 LEU 21 1HD1 LEU 21 0.536 -3.834 0.039 170 HD12 LEU 21 2HD1 LEU 21 -0.501 -2.590 -0.669 171 HD13 LEU 21 3HD1 LEU 21 -1.200 -3.848 0.355 172 HD21 LEU 21 3HD2 LEU 21 1.060 -0.774 0.517 173 HD22 LEU 21 1HD2 LEU 21 2.007 -2.131 1.138 174 HD23 LEU 21 2HD2 LEU 21 1.331 -0.947 2.254 175 H LYS 22 H LYS 22 -3.510 -1.096 4.163 176 HA LYS 22 HA LYS 22 -5.218 0.839 2.895 177 HB2 LYS 22 2HB LYS 22 -5.795 -1.000 5.260 178 HB3 LYS 22 3HB LYS 22 -7.005 -0.026 4.422 179 HG2 LYS 22 2HG LYS 22 -6.392 -1.280 2.298 180 HG3 LYS 22 3HG LYS 22 -5.409 -2.343 3.296 181 HD2 LYS 22 2HD LYS 22 -7.497 -3.457 2.948 182 HD3 LYS 22 3HD LYS 22 -7.498 -2.893 4.623 183 HE2 LYS 22 2HE LYS 22 -8.886 -0.944 3.954 184 HE3 LYS 22 3HE LYS 22 -8.873 -1.516 2.283 185 HZ1 LYS 22 3HZ LYS 22 -9.982 -3.051 4.565 186 HZ2 LYS 22 1HZ LYS 22 -10.084 -3.444 2.921 187 HZ3 LYS 22 2HZ LYS 22 -10.896 -2.088 3.524 188 H VAL 23 H VAL 23 -3.884 0.570 6.217 189 HA VAL 23 HA VAL 23 -5.076 2.891 7.310 190 HB VAL 23 HB VAL 23 -2.422 1.569 8.045 191 HG11 VAL 23 1HG1 VAL 23 -2.424 3.882 8.907 192 HG12 VAL 23 2HG1 VAL 23 -2.614 2.746 10.243 193 HG13 VAL 23 3HG1 VAL 23 -4.014 3.635 9.634 194 HG21 VAL 23 3HG2 VAL 23 -5.200 1.279 9.269 195 HG22 VAL 23 1HG2 VAL 23 -3.728 0.522 9.890 196 HG23 VAL 23 2HG2 VAL 23 -4.356 0.064 8.305 197 H SER 24 H SER 24 -1.960 2.446 5.626 198 HA SER 24 HA SER 24 -1.087 5.146 5.641 199 HB2 SER 24 2HB SER 24 0.421 3.259 5.081 200 HB3 SER 24 3HB SER 24 -0.478 2.972 3.594 201 HG SER 24 HG SER 24 1.572 4.512 3.863 202 H TYR 25 H TYR 25 -3.152 3.339 3.391 203 HA TYR 25 HA TYR 25 -3.432 5.239 1.323 204 HB2 TYR 25 2HB TYR 25 -4.054 2.879 1.041 205 HB3 TYR 25 3HB TYR 25 -5.336 3.038 2.231 206 HD1 TYR 25 HD1 TYR 25 -4.265 4.168 -1.175 207 HD2 TYR 25 HD2 TYR 25 -7.537 3.775 1.549 208 HE1 TYR 25 HE1 TYR 25 -5.832 4.747 -2.972 209 HE2 TYR 25 HE2 TYR 25 -9.098 4.337 -0.262 210 HH TYR 25 HH TYR 25 -8.337 4.205 -3.435 211 H LEU 26 H LEU 26 -5.150 4.896 4.411 212 HA LEU 26 HA LEU 26 -7.285 6.715 3.802 213 HB2 LEU 26 2HB LEU 26 -6.278 5.770 6.512 214 HB3 LEU 26 3HB LEU 26 -7.793 6.618 6.231 215 HG LEU 26 HG LEU 26 -7.075 3.822 5.274 216 HD11 LEU 26 1HD1 LEU 26 -7.657 3.878 7.624 217 HD12 LEU 26 2HD1 LEU 26 -8.914 3.063 6.697 218 HD13 LEU 26 3HD1 LEU 26 -9.169 4.716 7.263 219 HD21 LEU 26 3HD2 LEU 26 -9.335 3.665 4.307 220 HD22 LEU 26 1HD2 LEU 26 -8.370 4.910 3.514 221 HD23 LEU 26 2HD2 LEU 26 -9.617 5.368 4.676 222 H LYS 27 H LYS 27 -4.080 7.142 5.303 223 HA LYS 27 HA LYS 27 -4.442 9.968 5.856 224 HB2 LYS 27 2HB LYS 27 -2.004 8.155 5.860 225 HB3 LYS 27 3HB LYS 27 -1.823 9.894 6.018 226 HG2 LYS 27 2HG LYS 27 -1.761 8.909 8.213 227 HG3 LYS 27 3HG LYS 27 -3.243 9.857 8.051 228 HD2 LYS 27 2HD LYS 27 -4.525 7.761 7.654 229 HD3 LYS 27 3HD LYS 27 -3.036 6.825 7.826 230 HE2 LYS 27 2HE LYS 27 -4.349 8.518 9.982 231 HE3 LYS 27 3HE LYS 27 -4.345 6.756 9.899 232 HZ1 LYS 27 3HZ LYS 27 -1.874 6.889 10.039 233 HZ2 LYS 27 1HZ LYS 27 -2.682 7.420 11.427 234 HZ3 LYS 27 2HZ LYS 27 -2.025 8.544 10.354 235 H ASN 28 H ASN 28 -2.972 8.068 3.288 236 HA ASN 28 HA ASN 28 -2.951 10.318 1.422 237 HB2 ASN 28 2HB ASN 28 -0.535 9.541 0.721 238 HB3 ASN 28 3HB ASN 28 -0.717 10.577 2.133 239 HD21 ASN 28 1HD2 ASN 28 -0.161 7.234 1.118 240 HD22 ASN 28 2HD2 ASN 28 0.552 6.719 2.602 241 H GLN 29 H GLN 29 -4.366 9.478 -0.022 242 HA GLN 29 HA GLN 29 -4.585 6.720 -0.744 243 HB2 GLN 29 2HB GLN 29 -5.638 9.137 -2.273 244 HB3 GLN 29 3HB GLN 29 -6.096 7.474 -2.560 245 HG2 GLN 29 2HG GLN 29 -7.884 8.359 -1.357 246 HG3 GLN 29 3HG GLN 29 -6.983 7.446 -0.153 247 HE21 GLN 29 1HE2 GLN 29 -5.888 8.631 1.518 248 HE22 GLN 29 2HE2 GLN 29 -6.255 10.286 1.838 249 H PHE 30 H PHE 30 -2.823 9.413 -2.000 250 HA PHE 30 HA PHE 30 -1.366 7.756 -3.969 251 HB2 PHE 30 2HB PHE 30 -1.548 10.806 -3.774 252 HB3 PHE 30 3HB PHE 30 -0.670 9.902 -5.001 253 HD1 PHE 30 HD1 PHE 30 -4.099 10.754 -3.764 254 HD2 PHE 30 HD2 PHE 30 -1.803 9.009 -6.939 255 HE1 PHE 30 HE1 PHE 30 -6.077 10.791 -5.232 256 HE2 PHE 30 HE2 PHE 30 -3.791 9.046 -8.387 257 HZ PHE 30 HZ PHE 30 -5.924 9.942 -7.541 258 HA PRO 31 HA PRO 31 1.409 8.303 -0.284 259 HB2 PRO 31 2HB PRO 31 2.751 5.945 -0.449 260 HB3 PRO 31 3HB PRO 31 1.090 6.037 0.157 261 HG2 PRO 31 2HG PRO 31 2.055 5.264 -2.600 262 HG3 PRO 31 3HG PRO 31 0.831 4.470 -1.587 263 HD2 PRO 31 2HD PRO 31 0.183 6.208 -3.616 264 HD3 PRO 31 3HD PRO 31 -0.832 6.001 -2.171 265 H HIS 32 H HIS 32 3.429 9.190 -0.139 266 HA HIS 32 HA HIS 32 5.012 9.821 -2.429 267 HB2 HIS 32 2HB HIS 32 4.954 11.217 -0.352 268 HB3 HIS 32 3HB HIS 32 5.798 9.944 0.526 269 HD2 HIS 32 HD2 HIS 32 6.527 12.762 -2.073 270 HE1 HIS 32 HE1 HIS 32 10.193 11.002 -0.918 271 HE2 HIS 32 HE2 HIS 32 9.103 12.751 -2.384 272 H ASP 33 H ASP 33 7.223 9.061 -2.888 273 HA ASP 33 HA ASP 33 7.457 6.302 -3.129 274 HB2 ASP 33 2HB ASP 33 8.684 8.052 -4.484 275 HB3 ASP 33 3HB ASP 33 9.777 8.278 -3.121 276 H SER 34 H SER 34 8.897 8.419 -0.662 277 HA SER 34 HA SER 34 10.420 6.528 0.796 278 HB2 SER 34 2HB SER 34 10.756 8.934 1.095 279 HB3 SER 34 3HB SER 34 9.116 9.121 1.713 280 HG SER 34 HG SER 34 9.709 8.327 3.589 281 H GLU 35 H GLU 35 7.030 7.552 1.135 282 HA GLU 35 HA GLU 35 6.315 6.056 3.442 283 HB2 GLU 35 2HB GLU 35 4.907 7.872 2.552 284 HB3 GLU 35 3HB GLU 35 4.614 6.963 1.080 285 HG2 GLU 35 2HG GLU 35 2.643 6.833 2.447 286 HG3 GLU 35 3HG GLU 35 3.395 5.240 2.423 287 H ILE 36 H ILE 36 6.171 5.270 -0.033 288 HA ILE 36 HA ILE 36 5.050 2.679 0.112 289 HB ILE 36 HB ILE 36 6.980 3.763 -1.999 290 HG12 ILE 36 2HG1 ILE 36 3.922 3.821 -2.030 291 HG13 ILE 36 3HG1 ILE 36 4.933 5.207 -1.642 292 HG21 ILE 36 1HG2 ILE 36 6.749 1.313 -2.155 293 HG22 ILE 36 2HG2 ILE 36 5.964 2.090 -3.529 294 HG23 ILE 36 3HG2 ILE 36 4.992 1.464 -2.198 295 HD11 ILE 36 3HD1 ILE 36 4.106 5.325 -3.915 296 HD12 ILE 36 1HD1 ILE 36 4.844 3.769 -4.294 297 HD13 ILE 36 2HD1 ILE 36 5.861 5.160 -3.910 298 H ILE 37 H ILE 37 8.424 3.811 0.322 299 HA ILE 37 HA ILE 37 9.720 1.296 0.449 300 HB ILE 37 HB ILE 37 10.576 3.955 1.671 301 HG12 ILE 37 2HG1 ILE 37 11.462 2.592 -0.918 302 HG13 ILE 37 3HG1 ILE 37 10.333 3.936 -0.828 303 HG21 ILE 37 1HG2 ILE 37 12.256 1.436 1.307 304 HG22 ILE 37 2HG2 ILE 37 11.746 2.126 2.849 305 HG23 ILE 37 3HG2 ILE 37 12.873 3.009 1.820 306 HD11 ILE 37 3HD1 ILE 37 12.117 5.362 0.071 307 HD12 ILE 37 1HD1 ILE 37 12.526 4.689 -1.507 308 HD13 ILE 37 2HD1 ILE 37 13.245 4.009 -0.047 309 H ARG 38 H ARG 38 8.465 3.410 3.080 310 HA ARG 38 HA ARG 38 9.075 1.832 5.312 311 HB2 ARG 38 2HB ARG 38 8.170 4.091 5.582 312 HB3 ARG 38 3HB ARG 38 6.652 3.611 4.824 313 HG2 ARG 38 2HG ARG 38 6.226 2.054 6.751 314 HG3 ARG 38 3HG ARG 38 7.700 2.653 7.520 315 HD2 ARG 38 2HD ARG 38 5.248 4.308 6.820 316 HD3 ARG 38 3HD ARG 38 5.691 3.743 8.433 317 HE ARG 38 HE ARG 38 7.820 5.107 8.019 318 HH11 ARG 38 1HH1 ARG 38 4.760 6.066 6.743 319 HH12 ARG 38 2HH1 ARG 38 5.157 7.744 6.807 320 HH21 ARG 38 1HH2 ARG 38 8.302 7.235 8.072 321 HH22 ARG 38 2HH2 ARG 38 7.133 8.399 7.557 322 H LEU 39 H LEU 39 6.245 1.701 3.176 323 HA LEU 39 HA LEU 39 4.813 -0.365 4.442 324 HB2 LEU 39 2HB LEU 39 4.846 0.511 1.532 325 HB3 LEU 39 3HB LEU 39 3.653 -0.585 2.220 326 HG LEU 39 HG LEU 39 4.068 2.293 3.134 327 HD11 LEU 39 1HD1 LEU 39 1.967 2.836 2.000 328 HD12 LEU 39 2HD1 LEU 39 1.879 1.197 1.348 329 HD13 LEU 39 3HD1 LEU 39 3.189 2.274 0.859 330 HD21 LEU 39 3HD2 LEU 39 1.880 0.313 3.869 331 HD22 LEU 39 1HD2 LEU 39 1.976 1.998 4.390 332 HD23 LEU 39 2HD2 LEU 39 3.196 0.846 4.921 333 H MET 40 H MET 40 7.424 -0.528 1.974 334 HA MET 40 HA MET 40 7.441 -3.377 1.682 335 HB2 MET 40 2HB MET 40 9.757 -1.416 1.343 336 HB3 MET 40 3HB MET 40 9.778 -3.102 0.836 337 HG2 MET 40 2HG MET 40 7.836 -2.549 -0.694 338 HG3 MET 40 3HG MET 40 8.122 -0.849 -0.312 339 HE1 MET 40 3HE MET 40 11.809 -0.426 -1.753 340 HE2 MET 40 1HE MET 40 11.393 -0.883 -0.103 341 HE3 MET 40 2HE MET 40 10.491 0.396 -0.919 342 H LYS 41 H LYS 41 9.044 -1.169 3.963 343 HA LYS 41 HA LYS 41 10.812 -3.026 5.196 344 HB2 LYS 41 2HB LYS 41 9.647 -0.469 6.388 345 HB3 LYS 41 3HB LYS 41 11.054 -1.339 6.995 346 HG2 LYS 41 2HG LYS 41 10.855 0.075 4.316 347 HG3 LYS 41 3HG LYS 41 11.688 0.686 5.743 348 HD2 LYS 41 2HD LYS 41 12.438 -1.866 4.247 349 HD3 LYS 41 3HD LYS 41 13.224 -0.300 4.022 350 HE2 LYS 41 2HE LYS 41 13.932 -0.318 6.390 351 HE3 LYS 41 3HE LYS 41 13.153 -1.889 6.615 352 HZ1 LYS 41 3HZ LYS 41 15.494 -2.148 6.255 353 HZ2 LYS 41 1HZ LYS 41 15.418 -1.290 4.801 354 HZ3 LYS 41 2HZ LYS 41 14.656 -2.791 4.939 355 H ILE 42 H ILE 42 7.423 -2.266 5.766 356 HA ILE 42 HA ILE 42 7.313 -3.844 8.237 357 HB ILE 42 HB ILE 42 5.015 -2.419 6.826 358 HG12 ILE 42 2HG1 ILE 42 6.744 -0.766 7.491 359 HG13 ILE 42 3HG1 ILE 42 5.301 -0.587 8.475 360 HG21 ILE 42 1HG2 ILE 42 5.234 -3.516 9.661 361 HG22 ILE 42 2HG2 ILE 42 4.254 -4.189 8.356 362 HG23 ILE 42 3HG2 ILE 42 3.864 -2.603 9.021 363 HD11 ILE 42 3HD1 ILE 42 7.877 -1.910 9.328 364 HD12 ILE 42 1HD1 ILE 42 6.424 -1.752 10.320 365 HD13 ILE 42 2HD1 ILE 42 7.298 -0.314 9.799 366 H THR 43 H THR 43 5.412 -3.850 5.144 367 HA THR 43 HA THR 43 4.115 -6.334 5.678 368 HB THR 43 HB THR 43 3.197 -6.252 3.425 369 HG1 THR 43 HG1 THR 43 4.485 -4.004 2.519 370 HG21 THR 43 3HG2 THR 43 3.423 -3.414 4.508 371 HG22 THR 43 1HG2 THR 43 2.229 -4.616 5.014 372 HG23 THR 43 2HG2 THR 43 2.208 -3.991 3.364 373 H GLY 44 H GLY 44 7.076 -5.573 3.915 374 HA2 GLY 44 2HA GLY 44 8.824 -7.072 3.424 375 HA3 GLY 44 3HA GLY 44 7.731 -8.432 3.612 376 H LEU 45 H LEU 45 6.131 -6.245 1.712 377 HA LEU 45 HA LEU 45 6.490 -7.696 -0.753 378 HB2 LEU 45 2HB LEU 45 4.996 -5.119 -0.124 379 HB3 LEU 45 3HB LEU 45 4.903 -5.961 -1.668 380 HG LEU 45 HG LEU 45 4.011 -7.176 0.984 381 HD11 LEU 45 1HD1 LEU 45 1.704 -6.747 0.257 382 HD12 LEU 45 2HD1 LEU 45 2.296 -5.881 -1.164 383 HD13 LEU 45 3HD1 LEU 45 2.607 -5.244 0.455 384 HD21 LEU 45 3HD2 LEU 45 2.899 -8.873 -0.422 385 HD22 LEU 45 1HD2 LEU 45 4.642 -8.860 -0.695 386 HD23 LEU 45 2HD2 LEU 45 3.559 -8.119 -1.877 387 H THR 46 H THR 46 6.756 -6.363 -2.851 388 HA THR 46 HA THR 46 9.069 -4.518 -2.672 389 HB THR 46 HB THR 46 9.373 -4.884 -5.098 390 HG1 THR 46 HG1 THR 46 7.202 -6.735 -4.939 391 HG21 THR 46 3HG2 THR 46 9.049 -7.508 -3.593 392 HG22 THR 46 1HG2 THR 46 10.476 -6.467 -3.555 393 HG23 THR 46 2HG2 THR 46 10.008 -7.271 -5.054 394 H LYS 47 H LYS 47 9.086 -2.627 -4.079 395 HA LYS 47 HA LYS 47 6.997 -0.849 -3.594 396 HB2 LYS 47 2HB LYS 47 9.316 -0.159 -4.002 397 HB3 LYS 47 3HB LYS 47 9.219 -0.702 -5.673 398 HG2 LYS 47 2HG LYS 47 7.638 1.066 -6.219 399 HG3 LYS 47 3HG LYS 47 7.524 1.550 -4.526 400 HD2 LYS 47 2HD LYS 47 10.041 1.726 -6.234 401 HD3 LYS 47 3HD LYS 47 8.966 3.081 -5.869 402 HE2 LYS 47 2HE LYS 47 9.486 2.867 -3.468 403 HE3 LYS 47 3HE LYS 47 10.516 1.472 -3.798 404 HZ1 LYS 47 3HZ LYS 47 10.960 4.261 -4.682 405 HZ2 LYS 47 1HZ LYS 47 11.901 2.949 -5.176 406 HZ3 LYS 47 2HZ LYS 47 11.864 3.392 -3.550 407 H GLY 48 H GLY 48 7.644 -2.795 -6.485 408 HA2 GLY 48 2HA GLY 48 5.727 -1.748 -8.258 409 HA3 GLY 48 3HA GLY 48 6.357 -3.388 -8.285 410 H GLU 49 H GLU 49 5.440 -4.626 -6.107 411 HA GLU 49 HA GLU 49 2.789 -5.345 -6.671 412 HB2 GLU 49 2HB GLU 49 4.302 -5.708 -4.047 413 HB3 GLU 49 3HB GLU 49 2.825 -6.567 -4.494 414 HG2 GLU 49 2HG GLU 49 3.999 -7.630 -6.372 415 HG3 GLU 49 3HG GLU 49 5.479 -6.763 -5.948 416 H ILE 50 H ILE 50 4.032 -3.105 -4.268 417 HA ILE 50 HA ILE 50 1.631 -2.593 -2.854 418 HB ILE 50 HB ILE 50 4.211 -1.002 -3.113 419 HG12 ILE 50 2HG1 ILE 50 3.169 -2.844 -0.910 420 HG13 ILE 50 3HG1 ILE 50 4.432 -3.244 -2.067 421 HG21 ILE 50 1HG2 ILE 50 3.537 0.283 -1.109 422 HG22 ILE 50 2HG2 ILE 50 1.949 -0.483 -1.151 423 HG23 ILE 50 3HG2 ILE 50 2.449 0.580 -2.468 424 HD11 ILE 50 3HD1 ILE 50 4.575 -1.161 0.103 425 HD12 ILE 50 1HD1 ILE 50 5.839 -1.476 -1.088 426 HD13 ILE 50 2HD1 ILE 50 5.385 -2.727 0.067 427 H LYS 51 H LYS 51 3.232 -0.739 -5.510 428 HA LYS 51 HA LYS 51 1.189 1.258 -5.694 429 HB2 LYS 51 2HB LYS 51 3.325 0.429 -7.691 430 HB3 LYS 51 3HB LYS 51 2.258 1.820 -7.910 431 HG2 LYS 51 2HG LYS 51 3.163 2.808 -5.804 432 HG3 LYS 51 3HG LYS 51 4.283 1.444 -5.670 433 HD2 LYS 51 2HD LYS 51 4.186 3.443 -7.969 434 HD3 LYS 51 3HD LYS 51 5.359 3.458 -6.649 435 HE2 LYS 51 2HE LYS 51 6.228 1.269 -7.390 436 HE3 LYS 51 3HE LYS 51 5.023 1.219 -8.679 437 HZ1 LYS 51 3HZ LYS 51 7.114 3.297 -8.415 438 HZ2 LYS 51 1HZ LYS 51 6.025 3.109 -9.694 439 HZ3 LYS 51 2HZ LYS 51 7.220 1.945 -9.419 440 H LYS 52 H LYS 52 1.592 -1.888 -7.253 441 HA LYS 52 HA LYS 52 -0.538 -1.742 -9.133 442 HB2 LYS 52 2HB LYS 52 0.623 -4.139 -7.648 443 HB3 LYS 52 3HB LYS 52 -0.519 -4.272 -8.988 444 HG2 LYS 52 2HG LYS 52 1.071 -3.350 -10.542 445 HG3 LYS 52 3HG LYS 52 2.181 -2.911 -9.239 446 HD2 LYS 52 2HD LYS 52 2.442 -5.350 -8.707 447 HD3 LYS 52 3HD LYS 52 1.434 -5.733 -10.108 448 HE2 LYS 52 2HE LYS 52 3.100 -4.689 -11.595 449 HE3 LYS 52 3HE LYS 52 4.093 -4.257 -10.196 450 HZ1 LYS 52 3HZ LYS 52 4.837 -6.281 -11.335 451 HZ2 LYS 52 1HZ LYS 52 3.370 -7.028 -10.963 452 HZ3 LYS 52 2HZ LYS 52 4.425 -6.569 -9.723 453 H TRP 53 H TRP 53 -0.435 -2.529 -5.676 454 HA TRP 53 HA TRP 53 -3.188 -3.227 -5.404 455 HB2 TRP 53 2HB TRP 53 -1.536 -3.885 -3.685 456 HB3 TRP 53 3HB TRP 53 -1.239 -2.192 -3.291 457 HD1 TRP 53 HD1 TRP 53 -3.925 -4.938 -2.886 458 HE1 TRP 53 HE1 TRP 53 -5.583 -4.205 -1.065 459 HE3 TRP 53 HE3 TRP 53 -2.231 -0.174 -2.054 460 HZ2 TRP 53 HZ2 TRP 53 -6.106 -1.959 0.517 461 HZ3 TRP 53 HZ3 TRP 53 -3.380 1.206 -0.370 462 HH2 TRP 53 HH2 TRP 53 -5.282 0.331 0.890 463 H PHE 54 H PHE 54 -1.384 -0.174 -4.787 464 HA PHE 54 HA PHE 54 -3.577 1.410 -3.986 465 HB2 PHE 54 2HB PHE 54 -0.794 2.074 -4.986 466 HB3 PHE 54 3HB PHE 54 -1.967 3.373 -4.805 467 HD1 PHE 54 HD2 PHE 54 -2.872 3.949 -2.557 468 HD2 PHE 54 HD1 PHE 54 0.225 1.043 -2.997 469 HE1 PHE 54 HE2 PHE 54 -2.372 4.106 -0.156 470 HE2 PHE 54 HE1 PHE 54 0.706 1.205 -0.591 471 HZ PHE 54 HZ PHE 54 -0.588 2.735 0.832 472 H SER 55 H SER 55 -2.374 0.630 -7.204 473 HA SER 55 HA SER 55 -3.810 2.508 -8.755 474 HB2 SER 55 2HB SER 55 -2.009 1.124 -9.724 475 HB3 SER 55 3HB SER 55 -2.969 -0.336 -9.478 476 HG SER 55 HG SER 55 -3.497 0.132 -11.493 477 H ASP 56 H ASP 56 -4.650 -0.875 -7.919 478 HA ASP 56 HA ASP 56 -7.262 -0.905 -9.001 479 HB2 ASP 56 2HB ASP 56 -6.010 -2.588 -6.793 480 HB3 ASP 56 3HB ASP 56 -7.597 -2.916 -7.486 481 H THR 57 H THR 57 -6.107 -0.219 -5.712 482 HA THR 57 HA THR 57 -8.610 -0.088 -4.414 483 HB THR 57 HB THR 57 -6.012 1.269 -3.555 484 HG1 THR 57 HG1 THR 57 -5.344 -0.714 -3.290 485 HG21 THR 57 3HG2 THR 57 -8.366 0.308 -1.882 486 HG22 THR 57 1HG2 THR 57 -7.994 1.998 -2.225 487 HG23 THR 57 2HG2 THR 57 -6.880 1.026 -1.263 488 H ARG 58 H ARG 58 -6.649 2.460 -5.973 489 HA ARG 58 HA ARG 58 -8.339 4.686 -5.437 490 HB2 ARG 58 2HB ARG 58 -6.355 4.091 -7.661 491 HB3 ARG 58 3HB ARG 58 -7.261 5.596 -7.628 492 HG2 ARG 58 2HG ARG 58 -5.575 4.762 -5.256 493 HG3 ARG 58 3HG ARG 58 -4.848 5.552 -6.654 494 HD2 ARG 58 2HD ARG 58 -5.326 7.225 -4.962 495 HD3 ARG 58 3HD ARG 58 -6.396 7.478 -6.340 496 HE ARG 58 HE ARG 58 -7.346 6.021 -3.969 497 HH11 ARG 58 1HH1 ARG 58 -7.687 8.768 -6.051 498 HH12 ARG 58 2HH1 ARG 58 -9.153 9.275 -5.293 499 HH21 ARG 58 1HH2 ARG 58 -9.216 6.698 -3.032 500 HH22 ARG 58 2HH2 ARG 58 -10.000 8.125 -3.623 501 H TYR 59 H TYR 59 -8.316 2.283 -8.069 502 HA TYR 59 HA TYR 59 -10.384 3.406 -9.655 503 HB2 TYR 59 2HB TYR 59 -8.797 1.791 -10.595 504 HB3 TYR 59 3HB TYR 59 -9.374 0.533 -9.505 505 HD1 TYR 59 HD2 TYR 59 -10.335 2.643 -12.438 506 HD2 TYR 59 HD1 TYR 59 -11.347 -0.778 -10.067 507 HE1 TYR 59 HE2 TYR 59 -12.035 1.990 -14.092 508 HE2 TYR 59 HE1 TYR 59 -13.045 -1.422 -11.715 509 HH TYR 59 HH TYR 59 -14.431 -0.289 -13.480 510 H ASN 60 H ASN 60 -10.487 1.070 -6.957 511 HA ASN 60 HA ASN 60 -13.247 0.348 -7.286 512 HB2 ASN 60 2HB ASN 60 -11.248 -0.116 -5.049 513 HB3 ASN 60 3HB ASN 60 -12.947 -0.543 -4.836 514 HD21 ASN 60 1HD2 ASN 60 -9.983 -1.406 -6.394 515 HD22 ASN 60 2HD2 ASN 60 -10.544 -2.862 -7.120 516 H GLN 61 H GLN 61 -11.872 3.209 -6.093 517 HA GLN 61 HA GLN 61 -14.174 3.943 -4.425 518 HB2 GLN 61 2HB GLN 61 -11.935 5.779 -5.373 519 HB3 GLN 61 3HB GLN 61 -13.011 6.012 -3.999 520 HG2 GLN 61 2HG GLN 61 -10.817 3.946 -4.243 521 HG3 GLN 61 3HG GLN 61 -10.771 5.407 -3.267 522 HE21 GLN 61 1HE2 GLN 61 -10.431 2.602 -2.479 523 HE22 GLN 61 2HE2 GLN 61 -11.618 2.301 -1.261 524 H ARG 62 H ARG 62 -13.191 4.127 -7.728 525 HA ARG 62 HA ARG 62 -15.347 6.053 -8.430 526 HB2 ARG 62 2HB ARG 62 -13.911 6.768 -10.330 527 HB3 ARG 62 3HB ARG 62 -13.140 7.058 -8.773 528 HG2 ARG 62 2HG ARG 62 -11.772 5.002 -9.082 529 HG3 ARG 62 3HG ARG 62 -12.510 4.759 -10.668 530 HD2 ARG 62 2HD ARG 62 -10.833 7.153 -9.833 531 HD3 ARG 62 3HD ARG 62 -10.280 5.807 -10.836 532 HE ARG 62 HE ARG 62 -12.510 6.845 -12.102 533 HH11 ARG 62 1HH1 ARG 62 -9.363 8.037 -11.276 534 HH12 ARG 62 2HH1 ARG 62 -9.344 9.170 -12.583 535 HH21 ARG 62 1HH2 ARG 62 -12.445 8.272 -13.761 536 HH22 ARG 62 2HH2 ARG 62 -11.069 9.295 -13.980 537 H ASN 63 H ASN 63 -15.168 2.947 -8.332 538 HA ASN 63 HA ASN 63 -15.323 1.993 -11.017 539 HB2 ASN 63 2HB ASN 63 -16.336 -0.107 -9.907 540 HB3 ASN 63 3HB ASN 63 -14.700 0.347 -9.474 541 HD21 ASN 63 1HD2 ASN 63 -17.341 2.160 -7.994 542 HD22 ASN 63 2HD2 ASN 63 -17.189 1.417 -6.448 543 H SER 64 H SER 64 -16.783 3.282 -12.125 544 HA SER 64 HA SER 64 -19.681 2.939 -11.525 545 HB2 SER 64 2HB SER 64 -18.816 5.293 -11.289 546 HB3 SER 64 3HB SER 64 -18.325 5.267 -12.981 547 HG SER 64 HG SER 64 -20.951 5.150 -11.905 548 H LYS 65 H LYS 65 -17.913 1.152 -13.064 549 HA LYS 65 HA LYS 65 -18.100 1.291 -15.837 550 HB2 LYS 65 2HB LYS 65 -16.711 -0.383 -14.730 551 HB3 LYS 65 3HB LYS 65 -18.122 -1.150 -14.006 552 HG2 LYS 65 2HG LYS 65 -18.891 -1.813 -16.294 553 HG3 LYS 65 3HG LYS 65 -17.418 -1.108 -16.969 554 HD2 LYS 65 2HD LYS 65 -16.041 -2.734 -15.773 555 HD3 LYS 65 3HD LYS 65 -17.457 -3.370 -14.928 556 HE2 LYS 65 2HE LYS 65 -16.799 -4.862 -16.756 557 HE3 LYS 65 3HE LYS 65 -18.380 -4.161 -17.086 558 HZ1 LYS 65 3HZ LYS 65 -16.941 -4.191 -19.037 559 HZ2 LYS 65 1HZ LYS 65 -15.819 -3.211 -18.244 560 HZ3 LYS 65 2HZ LYS 65 -17.356 -2.611 -18.602 561 H SER 66 H SER 66 -19.746 1.138 -17.268 562 HA SER 66 HA SER 66 -22.453 1.135 -16.572 563 HB2 SER 66 2HB SER 66 -21.191 0.515 -19.273 564 HB3 SER 66 3HB SER 66 -22.898 0.899 -19.029 565 HG SER 66 HG SER 66 -21.123 2.727 -17.946 566 H ASN 67 H ASN 67 -23.966 -0.392 -16.242 567 HA ASN 67 HA ASN 67 -23.242 -3.138 -15.920 568 HB2 ASN 67 2HB ASN 67 -26.020 -1.870 -15.864 569 HB3 ASN 67 3HB ASN 67 -25.608 -3.475 -15.263 570 HD21 ASN 67 1HD2 ASN 67 -25.349 -0.049 -14.683 571 HD22 ASN 67 2HD2 ASN 67 -24.787 -0.163 -13.055 572 H GLN 68 H GLN 68 -22.632 -4.069 -17.819 573 HA GLN 68 HA GLN 68 -24.121 -3.988 -20.281 574 HB2 GLN 68 2HB GLN 68 -22.475 -5.694 -21.052 575 HB3 GLN 68 3HB GLN 68 -21.685 -4.308 -20.304 576 HG2 GLN 68 2HG GLN 68 -21.365 -5.590 -18.224 577 HG3 GLN 68 3HG GLN 68 -22.189 -6.974 -18.942 578 HE21 GLN 68 1HE2 GLN 68 -20.366 -8.276 -18.610 579 HE22 GLN 68 2HE2 GLN 68 -18.945 -8.131 -19.580 580 H CYS 69 H CYS 69 -25.041 -5.892 -21.347 581 HA CYS 69 HA CYS 69 -26.632 -7.624 -19.628 582 HB2 CYS 69 2HB CYS 69 -26.470 -7.460 -22.665 583 HB3 CYS 69 3HB CYS 69 -27.674 -8.375 -21.752 584 HG CYS 69 HG CYS 69 -27.314 -4.985 -21.497 585 H LEU 70 H LEU 70 -23.668 -7.774 -21.332 586 HA LEU 70 HA LEU 70 -22.052 -9.264 -21.721 587 HB2 LEU 70 2HB LEU 70 -22.183 -9.589 -19.273 588 HB3 LEU 70 3HB LEU 70 -23.369 -10.862 -19.497 589 HG LEU 70 HG LEU 70 -21.686 -12.296 -20.595 590 HD11 LEU 70 1HD1 LEU 70 -19.723 -10.022 -20.156 591 HD12 LEU 70 2HD1 LEU 70 -20.326 -10.606 -21.708 592 HD13 LEU 70 3HD1 LEU 70 -19.307 -11.645 -20.717 593 HD21 LEU 70 3HD2 LEU 70 -20.245 -12.765 -18.660 594 HD22 LEU 70 1HD2 LEU 70 -21.903 -12.446 -18.150 595 HD23 LEU 70 2HD2 LEU 70 -20.664 -11.204 -17.950 596 H HIS 71 H HIS 71 -22.580 -9.760 -23.783 597 HA HIS 71 HA HIS 71 -22.859 -11.014 -25.600 598 HB2 HIS 71 2HB HIS 71 -21.744 -12.835 -24.354 599 HB3 HIS 71 3HB HIS 71 -23.298 -13.367 -23.722 600 HD1 HIS 71 HD1 HIS 71 -21.527 -12.995 -27.064 601 HD2 HIS 71 HD2 HIS 71 -24.592 -15.194 -25.334 602 HE1 HIS 71 HE1 HIS 71 -22.183 -14.691 -28.781 603 HE2 HIS 71 HE2 HIS 71 -23.887 -16.129 -27.638 604 H LEU 72 H LEU 72 -24.548 -10.531 -26.812 605 HA LEU 72 HA LEU 72 -27.315 -10.993 -25.951 606 HB2 LEU 72 2HB LEU 72 -26.209 -9.681 -28.473 607 HB3 LEU 72 3HB LEU 72 -27.911 -9.801 -28.075 608 HG LEU 72 HG LEU 72 -27.275 -7.567 -27.587 609 HD11 LEU 72 1HD1 LEU 72 -27.696 -7.308 -25.204 610 HD12 LEU 72 2HD1 LEU 72 -27.342 -9.016 -24.933 611 HD13 LEU 72 3HD1 LEU 72 -28.739 -8.547 -25.906 612 HD21 LEU 72 3HD2 LEU 72 -25.397 -6.889 -26.162 613 HD22 LEU 72 1HD2 LEU 72 -24.839 -7.808 -27.560 614 HD23 LEU 72 2HD2 LEU 72 -24.910 -8.577 -25.971 615 H ASN 73 H ASN 73 -28.274 -12.895 -26.398 616 HA ASN 73 HA ASN 73 -27.588 -14.416 -28.842 617 HB2 ASN 73 2HB ASN 73 -26.310 -15.423 -26.984 618 HB3 ASN 73 3HB ASN 73 -27.774 -15.573 -26.018 619 HD21 ASN 73 1HD2 ASN 73 -26.083 -16.778 -28.862 620 HD22 ASN 73 2HD2 ASN 73 -26.957 -18.262 -28.976 621 H ASN 74 H ASN 74 -29.340 -14.980 -29.947 622 HA ASN 74 HA ASN 74 -31.795 -15.906 -28.753 623 HB2 ASN 74 2HB ASN 74 -31.991 -13.337 -28.760 624 HB3 ASN 74 3HB ASN 74 -32.004 -13.412 -30.511 625 HD21 ASN 74 1HD2 ASN 74 -33.747 -15.878 -30.557 626 HD22 ASN 74 2HD2 ASN 74 -35.303 -15.308 -30.109 Start of MODEL 16 1 H1 SER 1 1H SER 1 -0.372 5.956 -20.865 2 H2 SER 1 2H SER 1 0.011 6.445 -22.436 3 H3 SER 1 3H SER 1 1.208 5.793 -21.440 4 HA SER 1 HA SER 1 0.507 4.191 -23.074 5 HB2 SER 1 2HB SER 1 1.251 3.339 -20.884 6 HB3 SER 1 3HB SER 1 -0.382 3.498 -20.237 7 HG SER 1 HG SER 1 -0.587 1.509 -20.915 8 H HIS 2 H HIS 2 -1.106 3.682 -24.478 9 HA HIS 2 HA HIS 2 -3.907 4.288 -23.849 10 HB2 HIS 2 2HB HIS 2 -2.511 3.436 -26.415 11 HB3 HIS 2 3HB HIS 2 -4.265 3.547 -26.292 12 HD1 HIS 2 HD1 HIS 2 -1.346 5.558 -27.087 13 HD2 HIS 2 HD2 HIS 2 -5.159 6.261 -25.601 14 HE1 HIS 2 HE1 HIS 2 -1.767 8.002 -27.438 15 HE2 HIS 2 HE2 HIS 2 -4.160 8.334 -26.761 16 H MET 3 H MET 3 -1.813 1.504 -24.080 17 HA MET 3 HA MET 3 -4.061 -0.410 -23.961 18 HB2 MET 3 2HB MET 3 -1.081 -0.860 -24.445 19 HB3 MET 3 3HB MET 3 -2.282 -2.145 -24.373 20 HG2 MET 3 2HG MET 3 -1.768 -1.670 -26.678 21 HG3 MET 3 3HG MET 3 -3.420 -1.146 -26.348 22 HE1 MET 3 3HE MET 3 -1.777 -0.214 -28.956 23 HE2 MET 3 1HE MET 3 -2.202 1.496 -28.996 24 HE3 MET 3 2HE MET 3 -3.431 0.293 -28.605 25 HA PRO 4 HA PRO 4 -2.791 -1.045 -19.578 26 HB2 PRO 4 2HB PRO 4 -5.276 -1.066 -18.468 27 HB3 PRO 4 3HB PRO 4 -4.444 0.438 -18.876 28 HG2 PRO 4 2HG PRO 4 -6.779 -0.823 -20.195 29 HG3 PRO 4 3HG PRO 4 -6.235 0.864 -20.246 30 HD2 PRO 4 2HD PRO 4 -5.765 -1.255 -22.209 31 HD3 PRO 4 3HD PRO 4 -5.349 0.467 -22.320 32 H ASP 5 H ASP 5 -2.025 -3.150 -20.222 33 HA ASP 5 HA ASP 5 -3.774 -5.355 -20.809 34 HB2 ASP 5 2HB ASP 5 -0.778 -5.274 -20.209 35 HB3 ASP 5 3HB ASP 5 -1.638 -6.714 -20.755 36 H SER 6 H SER 6 -1.273 -5.412 -18.243 37 HA SER 6 HA SER 6 -1.124 -6.395 -16.216 38 HB2 SER 6 2HB SER 6 -3.955 -5.303 -15.902 39 HB3 SER 6 3HB SER 6 -2.928 -5.840 -14.573 40 HG SER 6 HG SER 6 -2.882 -3.558 -14.913 41 H PHE 7 H PHE 7 -1.102 -8.524 -17.419 42 HA PHE 7 HA PHE 7 -3.484 -10.216 -16.962 43 HB2 PHE 7 2HB PHE 7 -0.955 -10.728 -18.584 44 HB3 PHE 7 3HB PHE 7 -2.250 -11.906 -18.384 45 HD1 PHE 7 HD2 PHE 7 -4.700 -10.938 -18.955 46 HD2 PHE 7 HD1 PHE 7 -1.037 -9.393 -20.539 47 HE1 PHE 7 HE2 PHE 7 -5.927 -9.954 -20.845 48 HE2 PHE 7 HE1 PHE 7 -2.280 -8.409 -22.424 49 HZ PHE 7 HZ PHE 7 -4.723 -8.690 -22.581 50 H GLY 8 H GLY 8 -0.461 -9.578 -15.482 51 HA2 GLY 8 2HA GLY 8 -0.232 -12.178 -14.133 52 HA3 GLY 8 3HA GLY 8 0.877 -10.824 -14.011 53 H ILE 9 H ILE 9 -2.587 -11.494 -13.221 54 HA ILE 9 HA ILE 9 -2.456 -9.848 -10.828 55 HB ILE 9 HB ILE 9 -4.744 -11.708 -11.665 56 HG12 ILE 9 2HG1 ILE 9 -5.899 -9.389 -12.162 57 HG13 ILE 9 3HG1 ILE 9 -4.264 -8.740 -12.213 58 HG21 ILE 9 1HG2 ILE 9 -4.666 -9.544 -9.517 59 HG22 ILE 9 2HG2 ILE 9 -4.766 -11.285 -9.251 60 HG23 ILE 9 3HG2 ILE 9 -6.109 -10.437 -10.013 61 HD11 ILE 9 3HD1 ILE 9 -5.387 -10.900 -13.996 62 HD12 ILE 9 1HD1 ILE 9 -3.739 -10.269 -14.058 63 HD13 ILE 9 2HD1 ILE 9 -5.102 -9.215 -14.429 64 H ARG 10 H ARG 10 -0.839 -10.792 -9.607 65 HA ARG 10 HA ARG 10 -1.534 -13.300 -8.158 66 HB2 ARG 10 2HB ARG 10 1.218 -12.105 -8.745 67 HB3 ARG 10 3HB ARG 10 0.944 -13.498 -7.701 68 HG2 ARG 10 2HG ARG 10 0.271 -13.393 -10.668 69 HG3 ARG 10 3HG ARG 10 1.735 -14.112 -9.986 70 HD2 ARG 10 2HD ARG 10 0.379 -15.772 -8.778 71 HD3 ARG 10 3HD ARG 10 -1.104 -15.023 -9.375 72 HE ARG 10 HE ARG 10 0.239 -15.637 -11.646 73 HH11 ARG 10 1HH1 ARG 10 -0.675 -17.576 -8.924 74 HH12 ARG 10 2HH1 ARG 10 -0.854 -18.997 -9.889 75 HH21 ARG 10 1HH2 ARG 10 -0.044 -17.467 -12.835 76 HH22 ARG 10 2HH2 ARG 10 -0.508 -18.939 -12.053 77 H ALA 11 H ALA 11 -2.483 -10.599 -7.655 78 HA ALA 11 HA ALA 11 -0.980 -9.376 -5.502 79 HB1 ALA 11 3HB ALA 11 -2.708 -7.639 -5.592 80 HB2 ALA 11 1HB ALA 11 -3.695 -8.647 -6.656 81 HB3 ALA 11 2HB ALA 11 -2.141 -8.025 -7.217 82 H LYS 12 H LYS 12 -2.291 -12.117 -5.077 83 HA LYS 12 HA LYS 12 -4.166 -11.774 -2.928 84 HB2 LYS 12 2HB LYS 12 -4.043 -13.862 -4.297 85 HB3 LYS 12 3HB LYS 12 -2.440 -14.190 -3.646 86 HG2 LYS 12 2HG LYS 12 -3.471 -14.323 -1.352 87 HG3 LYS 12 3HG LYS 12 -5.054 -14.142 -2.104 88 HD2 LYS 12 2HD LYS 12 -4.801 -16.483 -1.754 89 HD3 LYS 12 3HD LYS 12 -4.503 -16.243 -3.474 90 HE2 LYS 12 2HE LYS 12 -2.302 -16.502 -1.393 91 HE3 LYS 12 3HE LYS 12 -2.924 -17.852 -2.334 92 HZ1 LYS 12 3HZ LYS 12 -1.566 -15.449 -3.434 93 HZ2 LYS 12 1HZ LYS 12 -2.186 -16.728 -4.348 94 HZ3 LYS 12 2HZ LYS 12 -0.900 -16.991 -3.287 95 H LYS 13 H LYS 13 -3.220 -10.320 -1.492 96 HA LYS 13 HA LYS 13 -0.627 -10.951 -0.214 97 HB2 LYS 13 2HB LYS 13 -2.229 -8.349 -0.178 98 HB3 LYS 13 3HB LYS 13 -0.591 -8.573 0.444 99 HG2 LYS 13 2HG LYS 13 0.221 -9.060 -1.825 100 HG3 LYS 13 3HG LYS 13 -1.414 -8.897 -2.462 101 HD2 LYS 13 2HD LYS 13 -1.403 -6.489 -1.788 102 HD3 LYS 13 3HD LYS 13 0.257 -6.684 -1.214 103 HE2 LYS 13 2HE LYS 13 -0.731 -6.960 -4.075 104 HE3 LYS 13 3HE LYS 13 0.321 -5.699 -3.429 105 HZ1 LYS 13 3HZ LYS 13 1.029 -8.581 -3.573 106 HZ2 LYS 13 1HZ LYS 13 2.040 -7.329 -3.067 107 HZ3 LYS 13 2HZ LYS 13 1.531 -7.411 -4.676 108 H THR 14 H THR 14 -0.427 -10.979 2.073 109 HA THR 14 HA THR 14 -2.602 -12.285 3.392 110 HB THR 14 HB THR 14 -1.146 -12.402 5.378 111 HG1 THR 14 HG1 THR 14 0.711 -11.256 5.541 112 HG21 THR 14 3HG2 THR 14 -0.728 -14.023 3.561 113 HG22 THR 14 1HG2 THR 14 0.770 -13.604 4.390 114 HG23 THR 14 2HG2 THR 14 0.411 -12.899 2.812 115 H LYS 15 H LYS 15 -3.111 -11.623 5.796 116 HA LYS 15 HA LYS 15 -4.888 -9.417 5.543 117 HB2 LYS 15 2HB LYS 15 -4.128 -10.770 8.161 118 HB3 LYS 15 3HB LYS 15 -5.639 -9.950 7.774 119 HG2 LYS 15 2HG LYS 15 -4.665 -12.614 6.691 120 HG3 LYS 15 3HG LYS 15 -6.003 -12.340 7.810 121 HD2 LYS 15 2HD LYS 15 -7.261 -11.169 6.028 122 HD3 LYS 15 3HD LYS 15 -5.916 -11.404 4.906 123 HE2 LYS 15 2HE LYS 15 -6.210 -13.886 5.151 124 HE3 LYS 15 3HE LYS 15 -7.625 -13.582 6.163 125 HZ1 LYS 15 3HZ LYS 15 -7.308 -12.734 3.338 126 HZ2 LYS 15 1HZ LYS 15 -8.672 -12.473 4.304 127 HZ3 LYS 15 2HZ LYS 15 -8.228 -14.049 3.879 128 H GLU 16 H GLU 16 -1.735 -9.764 6.984 129 HA GLU 16 HA GLU 16 -1.636 -7.354 8.520 130 HB2 GLU 16 2HB GLU 16 0.828 -8.741 7.370 131 HB3 GLU 16 3HB GLU 16 0.706 -7.768 8.826 132 HG2 GLU 16 2HG GLU 16 0.915 -9.897 9.705 133 HG3 GLU 16 3HG GLU 16 -0.838 -9.700 9.698 134 H GLN 17 H GLN 17 -0.371 -8.315 5.360 135 HA GLN 17 HA GLN 17 0.850 -5.935 4.531 136 HB2 GLN 17 2HB GLN 17 -0.350 -8.257 2.969 137 HB3 GLN 17 3HB GLN 17 0.578 -6.968 2.201 138 HG2 GLN 17 2HG GLN 17 2.569 -7.572 3.389 139 HG3 GLN 17 3HG GLN 17 1.686 -8.668 4.446 140 HE21 GLN 17 1HE2 GLN 17 3.306 -10.191 3.820 141 HE22 GLN 17 2HE2 GLN 17 3.159 -11.051 2.332 142 H LEU 18 H LEU 18 -2.352 -7.197 3.625 143 HA LEU 18 HA LEU 18 -3.216 -5.079 2.014 144 HB2 LEU 18 2HB LEU 18 -4.138 -7.550 2.542 145 HB3 LEU 18 3HB LEU 18 -5.204 -6.684 3.627 146 HG LEU 18 HG LEU 18 -5.022 -6.223 0.615 147 HD11 LEU 18 1HD1 LEU 18 -5.913 -8.457 1.119 148 HD12 LEU 18 2HD1 LEU 18 -7.157 -7.417 0.434 149 HD13 LEU 18 3HD1 LEU 18 -7.145 -7.748 2.169 150 HD21 LEU 18 3HD2 LEU 18 -7.102 -4.931 0.834 151 HD22 LEU 18 1HD2 LEU 18 -5.802 -4.203 1.775 152 HD23 LEU 18 2HD2 LEU 18 -7.063 -5.131 2.587 153 H ALA 19 H ALA 19 -3.491 -5.563 5.531 154 HA ALA 19 HA ALA 19 -5.175 -3.367 6.156 155 HB1 ALA 19 3HB ALA 19 -4.420 -3.675 8.473 156 HB2 ALA 19 1HB ALA 19 -3.108 -4.719 7.919 157 HB3 ALA 19 2HB ALA 19 -4.786 -5.226 7.715 158 H GLU 20 H GLU 20 -1.586 -3.632 6.233 159 HA GLU 20 HA GLU 20 -0.935 -1.056 7.123 160 HB2 GLU 20 2HB GLU 20 0.638 -2.832 5.207 161 HB3 GLU 20 3HB GLU 20 1.294 -1.424 6.037 162 HG2 GLU 20 2HG GLU 20 0.333 -3.998 7.320 163 HG3 GLU 20 3HG GLU 20 2.003 -3.453 7.153 164 H LEU 21 H LEU 21 -1.538 -2.237 3.862 165 HA LEU 21 HA LEU 21 -0.847 0.136 2.441 166 HB2 LEU 21 2HB LEU 21 -2.649 -2.169 1.605 167 HB3 LEU 21 3HB LEU 21 -1.972 -0.958 0.525 168 HG LEU 21 HG LEU 21 -0.383 -3.031 2.090 169 HD11 LEU 21 1HD1 LEU 21 0.122 -4.040 -0.089 170 HD12 LEU 21 2HD1 LEU 21 -0.932 -2.870 -0.886 171 HD13 LEU 21 3HD1 LEU 21 -1.608 -4.045 0.244 172 HD21 LEU 21 3HD2 LEU 21 0.642 -0.944 0.134 173 HD22 LEU 21 1HD2 LEU 21 1.597 -2.246 0.855 174 HD23 LEU 21 2HD2 LEU 21 0.928 -0.978 1.876 175 H LYS 22 H LYS 22 -3.953 -1.144 3.681 176 HA LYS 22 HA LYS 22 -5.620 0.930 2.669 177 HB2 LYS 22 2HB LYS 22 -6.009 -0.972 5.001 178 HB3 LYS 22 3HB LYS 22 -7.225 0.217 4.549 179 HG2 LYS 22 2HG LYS 22 -7.261 -0.849 2.242 180 HG3 LYS 22 3HG LYS 22 -6.237 -2.127 2.895 181 HD2 LYS 22 2HD LYS 22 -8.605 -2.813 2.893 182 HD3 LYS 22 3HD LYS 22 -7.987 -2.703 4.545 183 HE2 LYS 22 2HE LYS 22 -9.079 -0.512 4.828 184 HE3 LYS 22 3HE LYS 22 -9.643 -0.560 3.157 185 HZ1 LYS 22 3HZ LYS 22 -10.405 -2.515 5.248 186 HZ2 LYS 22 1HZ LYS 22 -11.012 -2.431 3.671 187 HZ3 LYS 22 2HZ LYS 22 -11.340 -1.192 4.775 188 H VAL 23 H VAL 23 -3.918 0.595 5.790 189 HA VAL 23 HA VAL 23 -4.880 2.899 7.082 190 HB VAL 23 HB VAL 23 -2.182 1.494 7.394 191 HG11 VAL 23 1HG1 VAL 23 -1.990 3.780 8.279 192 HG12 VAL 23 2HG1 VAL 23 -2.000 2.619 9.605 193 HG13 VAL 23 3HG1 VAL 23 -3.452 3.558 9.244 194 HG21 VAL 23 3HG2 VAL 23 -3.217 0.426 9.380 195 HG22 VAL 23 1HG2 VAL 23 -4.123 0.054 7.911 196 HG23 VAL 23 2HG2 VAL 23 -4.738 1.258 9.043 197 H SER 24 H SER 24 -2.037 2.465 4.970 198 HA SER 24 HA SER 24 -1.119 5.158 4.957 199 HB2 SER 24 2HB SER 24 0.315 3.289 4.215 200 HB3 SER 24 3HB SER 24 -0.749 2.994 2.842 201 HG SER 24 HG SER 24 1.135 5.004 3.245 202 H TYR 25 H TYR 25 -3.500 3.453 2.957 203 HA TYR 25 HA TYR 25 -3.933 5.474 0.991 204 HB2 TYR 25 2HB TYR 25 -4.520 3.027 0.751 205 HB3 TYR 25 3HB TYR 25 -5.852 3.270 1.872 206 HD1 TYR 25 HD1 TYR 25 -4.564 4.159 -1.511 207 HD2 TYR 25 HD2 TYR 25 -7.947 4.238 1.098 208 HE1 TYR 25 HE1 TYR 25 -5.997 4.814 -3.395 209 HE2 TYR 25 HE2 TYR 25 -9.377 4.879 -0.790 210 HH TYR 25 HH TYR 25 -9.183 5.932 -2.973 211 H LEU 26 H LEU 26 -5.403 4.839 4.149 212 HA LEU 26 HA LEU 26 -7.498 6.802 3.949 213 HB2 LEU 26 2HB LEU 26 -6.368 5.357 6.374 214 HB3 LEU 26 3HB LEU 26 -7.799 6.380 6.406 215 HG LEU 26 HG LEU 26 -7.509 3.768 4.860 216 HD11 LEU 26 1HD1 LEU 26 -7.731 3.394 7.262 217 HD12 LEU 26 2HD1 LEU 26 -9.174 2.858 6.407 218 HD13 LEU 26 3HD1 LEU 26 -9.195 4.380 7.303 219 HD21 LEU 26 3HD2 LEU 26 -8.935 5.301 3.596 220 HD22 LEU 26 1HD2 LEU 26 -9.926 5.604 5.027 221 HD23 LEU 26 2HD2 LEU 26 -9.898 4.002 4.290 222 H LYS 27 H LYS 27 -4.158 6.878 5.067 223 HA LYS 27 HA LYS 27 -4.163 9.541 6.152 224 HB2 LYS 27 2HB LYS 27 -1.884 7.974 4.847 225 HB3 LYS 27 3HB LYS 27 -1.686 9.456 5.781 226 HG2 LYS 27 2HG LYS 27 -2.424 8.326 7.809 227 HG3 LYS 27 3HG LYS 27 -2.782 6.858 6.896 228 HD2 LYS 27 2HD LYS 27 -0.375 6.639 6.315 229 HD3 LYS 27 3HD LYS 27 -0.022 8.098 7.249 230 HE2 LYS 27 2HE LYS 27 -1.136 5.496 8.358 231 HE3 LYS 27 3HE LYS 27 0.523 6.078 8.532 232 HZ1 LYS 27 3HZ LYS 27 -0.388 8.033 9.707 233 HZ2 LYS 27 1HZ LYS 27 -0.680 6.577 10.510 234 HZ3 LYS 27 2HZ LYS 27 -1.926 7.328 9.656 235 H ASN 28 H ASN 28 -3.157 8.203 3.024 236 HA ASN 28 HA ASN 28 -4.008 10.525 1.513 237 HB2 ASN 28 2HB ASN 28 -1.696 10.729 0.409 238 HB3 ASN 28 3HB ASN 28 -1.813 11.331 2.060 239 HD21 ASN 28 1HD2 ASN 28 -0.518 8.770 0.046 240 HD22 ASN 28 2HD2 ASN 28 0.595 8.162 1.215 241 H GLN 29 H GLN 29 -4.984 9.751 -0.272 242 HA GLN 29 HA GLN 29 -4.878 6.960 -0.973 243 HB2 GLN 29 2HB GLN 29 -6.249 9.216 -2.495 244 HB3 GLN 29 3HB GLN 29 -6.571 7.494 -2.658 245 HG2 GLN 29 2HG GLN 29 -7.288 7.465 -0.247 246 HG3 GLN 29 3HG GLN 29 -7.110 9.217 -0.220 247 HE21 GLN 29 1HE2 GLN 29 -9.303 9.495 0.282 248 HE22 GLN 29 2HE2 GLN 29 -10.555 9.232 -0.877 249 H PHE 30 H PHE 30 -2.842 9.462 -1.771 250 HA PHE 30 HA PHE 30 -1.755 8.090 -4.161 251 HB2 PHE 30 2HB PHE 30 -1.636 11.082 -3.523 252 HB3 PHE 30 3HB PHE 30 -0.949 10.300 -4.945 253 HD1 PHE 30 HD1 PHE 30 -4.099 11.370 -3.313 254 HD2 PHE 30 HD2 PHE 30 -2.384 9.589 -6.805 255 HE1 PHE 30 HE1 PHE 30 -6.234 11.642 -4.504 256 HE2 PHE 30 HE2 PHE 30 -4.520 9.875 -7.988 257 HZ PHE 30 HZ PHE 30 -6.446 10.895 -6.842 258 HA PRO 31 HA PRO 31 1.313 7.785 -0.696 259 HB2 PRO 31 2HB PRO 31 2.385 5.374 -1.294 260 HB3 PRO 31 3HB PRO 31 0.748 5.512 -0.629 261 HG2 PRO 31 2HG PRO 31 1.588 5.201 -3.517 262 HG3 PRO 31 3HG PRO 31 0.360 4.287 -2.613 263 HD2 PRO 31 2HD PRO 31 -0.291 6.396 -4.232 264 HD3 PRO 31 3HD PRO 31 -1.228 6.008 -2.771 265 H HIS 32 H HIS 32 3.387 8.437 -0.564 266 HA HIS 32 HA HIS 32 4.981 9.087 -2.883 267 HB2 HIS 32 2HB HIS 32 5.791 9.122 0.065 268 HB3 HIS 32 3HB HIS 32 6.601 9.956 -1.261 269 HD2 HIS 32 HD2 HIS 32 5.634 12.454 -1.831 270 HE1 HIS 32 HE1 HIS 32 2.263 12.254 0.719 271 HE2 HIS 32 HE2 HIS 32 3.801 13.781 -0.574 272 H ASP 33 H ASP 33 6.997 8.101 -3.491 273 HA ASP 33 HA ASP 33 7.122 5.271 -3.279 274 HB2 ASP 33 2HB ASP 33 9.229 7.247 -4.248 275 HB3 ASP 33 3HB ASP 33 9.323 5.498 -4.476 276 H SER 34 H SER 34 8.886 7.827 -1.544 277 HA SER 34 HA SER 34 10.612 6.123 -0.037 278 HB2 SER 34 2HB SER 34 9.644 8.936 0.604 279 HB3 SER 34 3HB SER 34 10.932 8.097 1.465 280 HG SER 34 HG SER 34 11.758 7.892 -0.892 281 H GLU 35 H GLU 35 7.327 7.348 0.555 282 HA GLU 35 HA GLU 35 6.949 6.327 3.177 283 HB2 GLU 35 2HB GLU 35 5.406 7.975 2.067 284 HB3 GLU 35 3HB GLU 35 4.844 6.708 0.990 285 HG2 GLU 35 2HG GLU 35 3.224 7.089 2.767 286 HG3 GLU 35 3HG GLU 35 3.906 5.469 2.910 287 H ILE 36 H ILE 36 6.542 4.888 -0.019 288 HA ILE 36 HA ILE 36 5.487 2.374 0.751 289 HB ILE 36 HB ILE 36 7.046 3.196 -1.736 290 HG12 ILE 36 2HG1 ILE 36 4.036 2.786 -1.334 291 HG13 ILE 36 3HG1 ILE 36 4.837 4.351 -1.375 292 HG21 ILE 36 1HG2 ILE 36 6.179 1.142 -2.821 293 HG22 ILE 36 2HG2 ILE 36 5.505 0.614 -1.277 294 HG23 ILE 36 3HG2 ILE 36 7.252 0.767 -1.474 295 HD11 ILE 36 3HD1 ILE 36 5.474 3.958 -3.706 296 HD12 ILE 36 1HD1 ILE 36 3.729 3.869 -3.465 297 HD13 ILE 36 2HD1 ILE 36 4.665 2.388 -3.657 298 H ILE 37 H ILE 37 8.871 3.525 0.389 299 HA ILE 37 HA ILE 37 10.300 1.146 0.761 300 HB ILE 37 HB ILE 37 11.048 3.884 1.904 301 HG12 ILE 37 2HG1 ILE 37 10.693 4.019 -0.537 302 HG13 ILE 37 3HG1 ILE 37 12.394 4.224 -0.158 303 HG21 ILE 37 1HG2 ILE 37 13.404 3.088 1.870 304 HG22 ILE 37 2HG2 ILE 37 12.850 1.487 1.371 305 HG23 ILE 37 3HG2 ILE 37 12.395 2.124 2.951 306 HD11 ILE 37 3HD1 ILE 37 12.126 2.891 -2.133 307 HD12 ILE 37 1HD1 ILE 37 11.086 1.752 -1.281 308 HD13 ILE 37 2HD1 ILE 37 12.791 1.888 -0.844 309 H ARG 38 H ARG 38 8.920 3.320 3.201 310 HA ARG 38 HA ARG 38 9.640 1.923 5.554 311 HB2 ARG 38 2HB ARG 38 8.891 4.251 5.598 312 HB3 ARG 38 3HB ARG 38 7.311 3.799 4.965 313 HG2 ARG 38 2HG ARG 38 6.807 2.581 7.046 314 HG3 ARG 38 3HG ARG 38 8.406 2.976 7.679 315 HD2 ARG 38 2HD ARG 38 7.851 5.347 7.721 316 HD3 ARG 38 3HD ARG 38 6.302 5.035 6.929 317 HE ARG 38 HE ARG 38 6.011 3.545 9.093 318 HH11 ARG 38 1HH1 ARG 38 7.219 6.784 8.917 319 HH12 ARG 38 2HH1 ARG 38 6.652 7.168 10.503 320 HH21 ARG 38 1HH2 ARG 38 5.294 4.088 11.082 321 HH22 ARG 38 2HH2 ARG 38 5.581 5.675 11.702 322 H LEU 39 H LEU 39 6.693 1.745 3.521 323 HA LEU 39 HA LEU 39 5.210 -0.089 5.067 324 HB2 LEU 39 2HB LEU 39 5.100 0.439 2.075 325 HB3 LEU 39 3HB LEU 39 3.914 -0.523 2.947 326 HG LEU 39 HG LEU 39 4.443 2.445 3.417 327 HD11 LEU 39 1HD1 LEU 39 3.369 2.048 1.245 328 HD12 LEU 39 2HD1 LEU 39 2.254 2.828 2.365 329 HD13 LEU 39 3HD1 LEU 39 2.098 1.101 2.026 330 HD21 LEU 39 3HD2 LEU 39 2.323 0.634 4.645 331 HD22 LEU 39 1HD2 LEU 39 2.443 2.383 4.864 332 HD23 LEU 39 2HD2 LEU 39 3.711 1.331 5.484 333 H MET 40 H MET 40 7.623 -0.696 2.519 334 HA MET 40 HA MET 40 7.125 -3.429 2.027 335 HB2 MET 40 2HB MET 40 9.735 -1.888 1.746 336 HB3 MET 40 3HB MET 40 9.486 -3.518 1.131 337 HG2 MET 40 2HG MET 40 7.585 -2.563 -0.269 338 HG3 MET 40 3HG MET 40 8.177 -0.966 0.187 339 HE1 MET 40 3HE MET 40 11.398 -1.530 0.217 340 HE2 MET 40 1HE MET 40 10.669 -0.084 -0.486 341 HE3 MET 40 2HE MET 40 11.805 -1.048 -1.430 342 H LYS 41 H LYS 41 8.918 -1.885 4.601 343 HA LYS 41 HA LYS 41 10.471 -4.106 5.500 344 HB2 LYS 41 2HB LYS 41 9.522 -1.697 7.104 345 HB3 LYS 41 3HB LYS 41 10.884 -2.746 7.504 346 HG2 LYS 41 2HG LYS 41 12.104 -1.961 5.523 347 HG3 LYS 41 3HG LYS 41 10.715 -0.982 5.035 348 HD2 LYS 41 2HD LYS 41 10.947 0.333 7.145 349 HD3 LYS 41 3HD LYS 41 12.392 -0.603 7.543 350 HE2 LYS 41 2HE LYS 41 13.478 0.245 5.471 351 HE3 LYS 41 3HE LYS 41 12.040 1.211 5.124 352 HZ1 LYS 41 3HZ LYS 41 13.726 1.473 7.548 353 HZ2 LYS 41 1HZ LYS 41 12.401 2.441 7.144 354 HZ3 LYS 41 2HZ LYS 41 13.805 2.488 6.198 355 H ILE 42 H ILE 42 7.249 -2.903 6.358 356 HA ILE 42 HA ILE 42 6.885 -4.838 8.528 357 HB ILE 42 HB ILE 42 4.933 -2.749 7.449 358 HG12 ILE 42 2HG1 ILE 42 6.980 -1.671 8.328 359 HG13 ILE 42 3HG1 ILE 42 5.622 -1.350 9.398 360 HG21 ILE 42 1HG2 ILE 42 4.827 -4.338 10.048 361 HG22 ILE 42 2HG2 ILE 42 3.742 -4.515 8.671 362 HG23 ILE 42 3HG2 ILE 42 3.728 -3.024 9.610 363 HD11 ILE 42 3HD1 ILE 42 6.448 -3.069 10.949 364 HD12 ILE 42 1HD1 ILE 42 7.642 -1.807 10.653 365 HD13 ILE 42 2HD1 ILE 42 7.816 -3.379 9.874 366 H THR 43 H THR 43 5.715 -4.311 5.224 367 HA THR 43 HA THR 43 3.692 -6.391 5.315 368 HB THR 43 HB THR 43 3.410 -5.964 2.873 369 HG1 THR 43 HG1 THR 43 4.965 -3.722 2.716 370 HG21 THR 43 3HG2 THR 43 3.492 -3.398 4.516 371 HG22 THR 43 1HG2 THR 43 2.151 -4.545 4.457 372 HG23 THR 43 2HG2 THR 43 2.596 -3.631 3.014 373 H GLY 44 H GLY 44 6.858 -5.990 3.696 374 HA2 GLY 44 2HA GLY 44 8.389 -7.641 3.016 375 HA3 GLY 44 3HA GLY 44 7.194 -8.890 3.333 376 H LEU 45 H LEU 45 6.276 -6.094 1.504 377 HA LEU 45 HA LEU 45 6.079 -7.618 -1.022 378 HB2 LEU 45 2HB LEU 45 4.943 -4.911 -0.191 379 HB3 LEU 45 3HB LEU 45 4.644 -5.687 -1.740 380 HG LEU 45 HG LEU 45 3.788 -6.877 0.934 381 HD11 LEU 45 1HD1 LEU 45 2.604 -4.758 0.561 382 HD12 LEU 45 2HD1 LEU 45 1.511 -6.132 0.410 383 HD13 LEU 45 3HD1 LEU 45 2.095 -5.307 -1.038 384 HD21 LEU 45 3HD2 LEU 45 2.364 -8.350 -0.446 385 HD22 LEU 45 1HD2 LEU 45 4.069 -8.555 -0.842 386 HD23 LEU 45 2HD2 LEU 45 3.020 -7.626 -1.916 387 H THR 46 H THR 46 6.754 -6.514 -3.053 388 HA THR 46 HA THR 46 9.101 -4.780 -2.795 389 HB THR 46 HB THR 46 9.305 -4.896 -5.237 390 HG1 THR 46 HG1 THR 46 7.152 -6.631 -5.590 391 HG21 THR 46 3HG2 THR 46 8.616 -7.638 -4.117 392 HG22 THR 46 1HG2 THR 46 10.187 -6.844 -4.008 393 HG23 THR 46 2HG2 THR 46 9.553 -7.333 -5.581 394 H LYS 47 H LYS 47 9.206 -2.689 -3.910 395 HA LYS 47 HA LYS 47 7.111 -0.935 -3.303 396 HB2 LYS 47 2HB LYS 47 9.466 -0.236 -3.505 397 HB3 LYS 47 3HB LYS 47 9.439 -0.548 -5.234 398 HG2 LYS 47 2HG LYS 47 8.007 1.326 -5.653 399 HG3 LYS 47 3HG LYS 47 7.626 1.509 -3.944 400 HD2 LYS 47 2HD LYS 47 9.140 3.279 -4.449 401 HD3 LYS 47 3HD LYS 47 10.088 2.092 -3.557 402 HE2 LYS 47 2HE LYS 47 10.099 2.475 -6.570 403 HE3 LYS 47 3HE LYS 47 11.338 3.046 -5.458 404 HZ1 LYS 47 3HZ LYS 47 10.686 0.235 -6.138 405 HZ2 LYS 47 1HZ LYS 47 11.726 0.681 -4.879 406 HZ3 LYS 47 2HZ LYS 47 12.108 1.085 -6.469 407 H GLY 48 H GLY 48 7.960 -2.519 -6.362 408 HA2 GLY 48 2HA GLY 48 6.105 -1.403 -8.126 409 HA3 GLY 48 3HA GLY 48 6.733 -3.039 -8.226 410 H GLU 49 H GLU 49 5.673 -4.339 -6.099 411 HA GLU 49 HA GLU 49 3.040 -5.023 -6.782 412 HB2 GLU 49 2HB GLU 49 4.556 -5.445 -4.174 413 HB3 GLU 49 3HB GLU 49 2.955 -6.126 -4.456 414 HG2 GLU 49 2HG GLU 49 3.830 -7.436 -6.347 415 HG3 GLU 49 3HG GLU 49 5.434 -6.740 -6.091 416 H ILE 50 H ILE 50 4.190 -2.883 -4.200 417 HA ILE 50 HA ILE 50 1.669 -2.341 -3.012 418 HB ILE 50 HB ILE 50 4.304 -0.809 -2.942 419 HG12 ILE 50 2HG1 ILE 50 2.971 -2.735 -0.969 420 HG13 ILE 50 3HG1 ILE 50 4.409 -3.052 -1.932 421 HG21 ILE 50 1HG2 ILE 50 1.843 -0.283 -1.231 422 HG22 ILE 50 2HG2 ILE 50 2.529 0.804 -2.439 423 HG23 ILE 50 3HG2 ILE 50 3.438 0.434 -0.976 424 HD11 ILE 50 3HD1 ILE 50 4.179 -1.083 0.348 425 HD12 ILE 50 1HD1 ILE 50 5.627 -1.354 -0.627 426 HD13 ILE 50 2HD1 ILE 50 4.984 -2.651 0.377 427 H LYS 51 H LYS 51 3.537 -0.533 -5.500 428 HA LYS 51 HA LYS 51 1.721 1.608 -5.839 429 HB2 LYS 51 2HB LYS 51 3.548 0.442 -7.979 430 HB3 LYS 51 3HB LYS 51 2.796 2.035 -8.012 431 HG2 LYS 51 2HG LYS 51 4.224 2.047 -5.595 432 HG3 LYS 51 3HG LYS 51 5.269 1.136 -6.677 433 HD2 LYS 51 2HD LYS 51 5.949 3.430 -6.793 434 HD3 LYS 51 3HD LYS 51 5.134 3.057 -8.315 435 HE2 LYS 51 2HE LYS 51 3.109 4.195 -7.555 436 HE3 LYS 51 3HE LYS 51 3.814 4.453 -5.958 437 HZ1 LYS 51 3HZ LYS 51 3.965 6.440 -7.251 438 HZ2 LYS 51 1HZ LYS 51 4.757 5.632 -8.511 439 HZ3 LYS 51 2HZ LYS 51 5.525 5.828 -7.016 440 H LYS 52 H LYS 52 1.761 -1.634 -7.300 441 HA LYS 52 HA LYS 52 -0.329 -1.315 -9.180 442 HB2 LYS 52 2HB LYS 52 0.391 -3.823 -7.593 443 HB3 LYS 52 3HB LYS 52 -0.654 -3.792 -9.010 444 HG2 LYS 52 2HG LYS 52 2.307 -3.142 -8.937 445 HG3 LYS 52 3HG LYS 52 1.565 -4.603 -9.592 446 HD2 LYS 52 2HD LYS 52 0.412 -3.205 -11.319 447 HD3 LYS 52 3HD LYS 52 1.223 -1.771 -10.679 448 HE2 LYS 52 2HE LYS 52 3.428 -2.827 -11.214 449 HE3 LYS 52 3HE LYS 52 2.570 -4.190 -11.938 450 HZ1 LYS 52 3HZ LYS 52 1.569 -2.617 -13.508 451 HZ2 LYS 52 1HZ LYS 52 3.256 -2.652 -13.622 452 HZ3 LYS 52 2HZ LYS 52 2.485 -1.367 -12.841 453 H TRP 53 H TRP 53 -0.422 -2.416 -5.772 454 HA TRP 53 HA TRP 53 -3.147 -3.001 -5.562 455 HB2 TRP 53 2HB TRP 53 -1.451 -3.664 -3.854 456 HB3 TRP 53 3HB TRP 53 -1.309 -1.989 -3.340 457 HD1 TRP 53 HD1 TRP 53 -3.589 -5.046 -3.004 458 HE1 TRP 53 HE1 TRP 53 -5.370 -4.592 -1.208 459 HE3 TRP 53 HE3 TRP 53 -2.724 -0.056 -2.198 460 HZ2 TRP 53 HZ2 TRP 53 -6.296 -2.432 0.332 461 HZ3 TRP 53 HZ3 TRP 53 -4.113 1.135 -0.554 462 HH2 TRP 53 HH2 TRP 53 -5.869 -0.033 0.688 463 H PHE 54 H PHE 54 -1.466 0.059 -4.768 464 HA PHE 54 HA PHE 54 -3.734 1.510 -3.903 465 HB2 PHE 54 2HB PHE 54 -0.972 2.344 -4.808 466 HB3 PHE 54 3HB PHE 54 -2.192 3.569 -4.488 467 HD1 PHE 54 HD1 PHE 54 -0.041 0.993 -2.929 468 HD2 PHE 54 HD2 PHE 54 -2.979 4.011 -2.218 469 HE1 PHE 54 HE1 PHE 54 0.476 0.941 -0.527 470 HE2 PHE 54 HE2 PHE 54 -2.445 3.952 0.178 471 HZ PHE 54 HZ PHE 54 -0.726 2.417 1.028 472 H SER 55 H SER 55 -2.321 1.131 -7.147 473 HA SER 55 HA SER 55 -3.908 3.051 -8.516 474 HB2 SER 55 2HB SER 55 -2.675 0.457 -9.550 475 HB3 SER 55 3HB SER 55 -3.402 1.687 -10.589 476 HG SER 55 HG SER 55 -0.995 1.702 -9.207 477 H ASP 56 H ASP 56 -4.452 -0.457 -7.965 478 HA ASP 56 HA ASP 56 -7.014 -0.605 -9.191 479 HB2 ASP 56 2HB ASP 56 -5.639 -2.388 -7.144 480 HB3 ASP 56 3HB ASP 56 -7.215 -2.780 -7.836 481 H THR 57 H THR 57 -6.045 0.192 -5.866 482 HA THR 57 HA THR 57 -8.673 0.025 -4.708 483 HB THR 57 HB THR 57 -6.271 1.552 -3.594 484 HG1 THR 57 HG1 THR 57 -5.480 -0.395 -3.388 485 HG21 THR 57 3HG2 THR 57 -8.723 0.421 -2.176 486 HG22 THR 57 1HG2 THR 57 -8.396 2.136 -2.454 487 HG23 THR 57 2HG2 THR 57 -7.346 1.199 -1.391 488 H ARG 58 H ARG 58 -6.743 2.664 -6.082 489 HA ARG 58 HA ARG 58 -8.445 4.858 -5.667 490 HB2 ARG 58 2HB ARG 58 -6.475 4.157 -7.862 491 HB3 ARG 58 3HB ARG 58 -7.395 5.653 -7.944 492 HG2 ARG 58 2HG ARG 58 -5.799 5.048 -5.449 493 HG3 ARG 58 3HG ARG 58 -4.963 5.606 -6.895 494 HD2 ARG 58 2HD ARG 58 -5.511 7.459 -5.338 495 HD3 ARG 58 3HD ARG 58 -6.255 7.666 -6.925 496 HE ARG 58 HE ARG 58 -7.733 6.687 -4.550 497 HH11 ARG 58 1HH1 ARG 58 -7.609 8.732 -7.343 498 HH12 ARG 58 2HH1 ARG 58 -9.203 9.337 -7.082 499 HH21 ARG 58 1HH2 ARG 58 -9.770 7.490 -4.281 500 HH22 ARG 58 2HH2 ARG 58 -10.387 8.660 -5.386 501 H TYR 59 H TYR 59 -8.621 2.250 -8.062 502 HA TYR 59 HA TYR 59 -10.981 3.245 -9.393 503 HB2 TYR 59 2HB TYR 59 -9.539 1.788 -10.661 504 HB3 TYR 59 3HB TYR 59 -9.591 0.536 -9.425 505 HD1 TYR 59 HD2 TYR 59 -11.960 2.432 -11.678 506 HD2 TYR 59 HD1 TYR 59 -11.030 -1.300 -9.804 507 HE1 TYR 59 HE2 TYR 59 -13.856 1.373 -12.830 508 HE2 TYR 59 HE1 TYR 59 -12.931 -2.348 -10.946 509 HH TYR 59 HH TYR 59 -15.059 -1.690 -11.969 510 H ASN 60 H ASN 60 -10.396 0.923 -6.730 511 HA ASN 60 HA ASN 60 -12.963 -0.261 -6.658 512 HB2 ASN 60 2HB ASN 60 -10.913 -0.015 -4.422 513 HB3 ASN 60 3HB ASN 60 -12.334 -1.052 -4.354 514 HD21 ASN 60 1HD2 ASN 60 -12.079 -1.831 -7.209 515 HD22 ASN 60 2HD2 ASN 60 -10.758 -2.928 -7.257 516 H GLN 61 H GLN 61 -11.736 2.652 -5.085 517 HA GLN 61 HA GLN 61 -14.045 3.087 -3.392 518 HB2 GLN 61 2HB GLN 61 -11.782 4.974 -4.161 519 HB3 GLN 61 3HB GLN 61 -12.947 5.257 -2.868 520 HG2 GLN 61 2HG GLN 61 -11.009 2.915 -2.922 521 HG3 GLN 61 3HG GLN 61 -10.677 4.448 -2.127 522 HE21 GLN 61 1HE2 GLN 61 -10.437 3.321 -0.136 523 HE22 GLN 61 2HE2 GLN 61 -11.799 2.750 0.747 524 H ARG 62 H ARG 62 -13.785 3.308 -6.657 525 HA ARG 62 HA ARG 62 -16.149 5.029 -6.925 526 HB2 ARG 62 2HB ARG 62 -15.113 6.322 -8.782 527 HB3 ARG 62 3HB ARG 62 -14.221 6.563 -7.281 528 HG2 ARG 62 2HG ARG 62 -12.501 4.953 -8.032 529 HG3 ARG 62 3HG ARG 62 -13.402 4.675 -9.524 530 HD2 ARG 62 2HD ARG 62 -13.085 7.101 -10.101 531 HD3 ARG 62 3HD ARG 62 -12.067 7.266 -8.666 532 HE ARG 62 HE ARG 62 -10.425 5.898 -9.668 533 HH11 ARG 62 1HH1 ARG 62 -13.085 6.397 -11.842 534 HH12 ARG 62 2HH1 ARG 62 -12.145 5.970 -13.228 535 HH21 ARG 62 1HH2 ARG 62 -9.280 5.339 -11.473 536 HH22 ARG 62 2HH2 ARG 62 -10.037 5.389 -13.025 537 H ASN 63 H ASN 63 -15.622 2.140 -7.086 538 HA ASN 63 HA ASN 63 -15.022 1.135 -9.629 539 HB2 ASN 63 2HB ASN 63 -14.968 -0.115 -7.430 540 HB3 ASN 63 3HB ASN 63 -16.720 -0.236 -7.497 541 HD21 ASN 63 1HD2 ASN 63 -14.772 -2.368 -7.427 542 HD22 ASN 63 2HD2 ASN 63 -15.009 -3.313 -8.849 543 H SER 64 H SER 64 -16.110 1.662 -11.420 544 HA SER 64 HA SER 64 -17.692 1.880 -13.025 545 HB2 SER 64 2HB SER 64 -19.345 -0.009 -11.281 546 HB3 SER 64 3HB SER 64 -19.658 0.352 -12.980 547 HG SER 64 HG SER 64 -17.392 -0.945 -11.866 548 H LYS 65 H LYS 65 -17.772 3.635 -10.530 549 HA LYS 65 HA LYS 65 -20.585 4.521 -10.433 550 HB2 LYS 65 2HB LYS 65 -19.038 3.992 -8.335 551 HB3 LYS 65 3HB LYS 65 -18.392 5.600 -8.623 552 HG2 LYS 65 2HG LYS 65 -20.105 5.800 -6.962 553 HG3 LYS 65 3HG LYS 65 -20.748 6.499 -8.454 554 HD2 LYS 65 2HD LYS 65 -21.937 4.319 -8.903 555 HD3 LYS 65 3HD LYS 65 -21.356 3.723 -7.345 556 HE2 LYS 65 2HE LYS 65 -23.658 4.490 -7.132 557 HE3 LYS 65 3HE LYS 65 -22.601 5.566 -6.217 558 HZ1 LYS 65 3HZ LYS 65 -24.298 6.708 -7.559 559 HZ2 LYS 65 1HZ LYS 65 -23.573 6.128 -8.966 560 HZ3 LYS 65 2HZ LYS 65 -22.729 7.182 -7.947 561 H SER 66 H SER 66 -21.179 6.656 -10.917 562 HA SER 66 HA SER 66 -19.488 7.985 -12.890 563 HB2 SER 66 2HB SER 66 -21.871 7.607 -13.416 564 HB3 SER 66 3HB SER 66 -22.356 8.571 -12.021 565 HG SER 66 HG SER 66 -22.187 9.530 -14.313 566 H ASN 67 H ASN 67 -21.274 9.025 -9.964 567 HA ASN 67 HA ASN 67 -21.222 10.824 -8.601 568 HB2 ASN 67 2HB ASN 67 -18.278 10.866 -9.384 569 HB3 ASN 67 3HB ASN 67 -18.960 11.907 -8.140 570 HD21 ASN 67 1HD2 ASN 67 -17.623 11.012 -6.558 571 HD22 ASN 67 2HD2 ASN 67 -17.878 9.426 -5.922 572 H GLN 68 H GLN 68 -20.421 13.341 -8.554 573 HA GLN 68 HA GLN 68 -21.586 14.644 -10.830 574 HB2 GLN 68 2HB GLN 68 -21.748 15.622 -8.567 575 HB3 GLN 68 3HB GLN 68 -19.995 15.802 -8.497 576 HG2 GLN 68 2HG GLN 68 -20.148 17.380 -10.460 577 HG3 GLN 68 3HG GLN 68 -21.905 17.278 -10.341 578 HE21 GLN 68 1HE2 GLN 68 -18.999 18.494 -8.830 579 HE22 GLN 68 2HE2 GLN 68 -19.788 19.566 -7.732 580 H CYS 69 H CYS 69 -18.267 14.321 -9.603 581 HA CYS 69 HA CYS 69 -16.204 14.762 -10.352 582 HB2 CYS 69 2HB CYS 69 -17.455 14.311 -13.086 583 HB3 CYS 69 3HB CYS 69 -15.719 14.439 -12.802 584 HG CYS 69 HG CYS 69 -17.803 11.867 -12.257 585 H LEU 70 H LEU 70 -16.002 16.851 -9.597 586 HA LEU 70 HA LEU 70 -16.802 19.234 -10.906 587 HB2 LEU 70 2HB LEU 70 -15.918 18.807 -8.466 588 HB3 LEU 70 3HB LEU 70 -14.321 19.009 -9.150 589 HG LEU 70 HG LEU 70 -16.500 21.149 -9.178 590 HD11 LEU 70 1HD1 LEU 70 -15.811 20.686 -6.883 591 HD12 LEU 70 2HD1 LEU 70 -15.238 22.271 -7.387 592 HD13 LEU 70 3HD1 LEU 70 -14.114 20.910 -7.315 593 HD21 LEU 70 3HD2 LEU 70 -13.552 21.402 -9.884 594 HD22 LEU 70 1HD2 LEU 70 -14.699 22.741 -9.768 595 HD23 LEU 70 2HD2 LEU 70 -14.909 21.506 -11.005 596 H HIS 71 H HIS 71 -13.685 17.476 -10.907 597 HA HIS 71 HA HIS 71 -12.718 18.882 -13.295 598 HB2 HIS 71 2HB HIS 71 -11.468 16.703 -11.555 599 HB3 HIS 71 3HB HIS 71 -10.689 17.386 -12.978 600 HD1 HIS 71 HD1 HIS 71 -8.761 18.549 -11.892 601 HD2 HIS 71 HD2 HIS 71 -12.371 19.596 -10.123 602 HE1 HIS 71 HE1 HIS 71 -8.205 20.355 -10.258 603 HE2 HIS 71 HE2 HIS 71 -10.416 21.076 -9.308 604 H LEU 72 H LEU 72 -14.197 18.220 -14.887 605 HA LEU 72 HA LEU 72 -14.817 15.485 -15.498 606 HB2 LEU 72 2HB LEU 72 -15.059 17.998 -17.218 607 HB3 LEU 72 3HB LEU 72 -15.603 16.409 -17.725 608 HG LEU 72 HG LEU 72 -17.190 16.459 -15.685 609 HD11 LEU 72 1HD1 LEU 72 -16.522 19.417 -15.738 610 HD12 LEU 72 2HD1 LEU 72 -16.163 18.291 -14.428 611 HD13 LEU 72 3HD1 LEU 72 -17.838 18.670 -14.827 612 HD21 LEU 72 3HD2 LEU 72 -17.636 18.439 -17.948 613 HD22 LEU 72 1HD2 LEU 72 -18.893 17.747 -16.916 614 HD23 LEU 72 2HD2 LEU 72 -17.971 16.707 -17.998 615 H ASN 73 H ASN 73 -13.102 14.142 -15.966 616 HA ASN 73 HA ASN 73 -10.826 15.060 -17.546 617 HB2 ASN 73 2HB ASN 73 -10.615 13.467 -15.550 618 HB3 ASN 73 3HB ASN 73 -11.356 12.218 -16.550 619 HD21 ASN 73 1HD2 ASN 73 -9.654 10.845 -16.856 620 HD22 ASN 73 2HD2 ASN 73 -8.133 11.297 -17.537 621 H ASN 74 H ASN 74 -12.199 15.575 -19.413 622 HA ASN 74 HA ASN 74 -12.014 13.676 -21.505 623 HB2 ASN 74 2HB ASN 74 -14.569 13.620 -22.039 624 HB3 ASN 74 3HB ASN 74 -13.974 12.564 -20.769 625 HD21 ASN 74 1HD2 ASN 74 -15.964 12.407 -19.753 626 HD22 ASN 74 2HD2 ASN 74 -16.705 13.714 -18.907 Start of MODEL 17 1 H1 SER 1 1H SER 1 -6.247 -42.255 -8.888 2 H2 SER 1 2H SER 1 -4.619 -42.335 -8.436 3 H3 SER 1 3H SER 1 -5.104 -41.286 -9.674 4 HA SER 1 HA SER 1 -6.374 -39.964 -8.155 5 HB2 SER 1 2HB SER 1 -7.066 -41.732 -6.592 6 HB3 SER 1 3HB SER 1 -5.411 -41.911 -6.022 7 HG SER 1 HG SER 1 -7.250 -39.836 -5.533 8 H HIS 2 H HIS 2 -5.337 -38.098 -7.806 9 HA HIS 2 HA HIS 2 -2.508 -38.070 -6.884 10 HB2 HIS 2 2HB HIS 2 -2.515 -37.405 -9.218 11 HB3 HIS 2 3HB HIS 2 -3.869 -36.313 -8.976 12 HD1 HIS 2 HD1 HIS 2 -3.253 -33.916 -8.689 13 HD2 HIS 2 HD2 HIS 2 -0.063 -36.421 -7.763 14 HE1 HIS 2 HE1 HIS 2 -1.318 -32.392 -8.226 15 HE2 HIS 2 HE2 HIS 2 0.543 -33.913 -7.505 16 H MET 3 H MET 3 -5.740 -36.716 -6.648 17 HA MET 3 HA MET 3 -6.808 -35.332 -5.225 18 HB2 MET 3 2HB MET 3 -4.368 -35.792 -3.455 19 HB3 MET 3 3HB MET 3 -5.805 -34.936 -2.918 20 HG2 MET 3 2HG MET 3 -7.155 -36.958 -3.254 21 HG3 MET 3 3HG MET 3 -5.731 -37.827 -3.829 22 HE1 MET 3 3HE MET 3 -6.160 -36.294 0.529 23 HE2 MET 3 1HE MET 3 -7.358 -35.992 -0.725 24 HE3 MET 3 2HE MET 3 -5.778 -35.210 -0.812 25 HA PRO 4 HA PRO 4 -5.428 -31.128 -6.079 26 HB2 PRO 4 2HB PRO 4 -6.783 -29.996 -3.690 27 HB3 PRO 4 3HB PRO 4 -7.196 -29.811 -5.398 28 HG2 PRO 4 2HG PRO 4 -8.729 -31.282 -3.720 29 HG3 PRO 4 3HG PRO 4 -8.519 -31.738 -5.426 30 HD2 PRO 4 2HD PRO 4 -7.093 -32.832 -2.985 31 HD3 PRO 4 3HD PRO 4 -7.854 -33.718 -4.330 32 H ASP 5 H ASP 5 -3.472 -32.624 -4.423 33 HA ASP 5 HA ASP 5 -2.271 -30.769 -2.579 34 HB2 ASP 5 2HB ASP 5 -1.314 -33.371 -3.845 35 HB3 ASP 5 3HB ASP 5 -0.300 -32.432 -2.751 36 H SER 6 H SER 6 -2.409 -28.967 -4.197 37 HA SER 6 HA SER 6 0.180 -28.125 -4.870 38 HB2 SER 6 2HB SER 6 -0.089 -29.636 -6.872 39 HB3 SER 6 3HB SER 6 -1.479 -28.677 -7.380 40 HG SER 6 HG SER 6 1.206 -27.760 -7.077 41 H PHE 7 H PHE 7 -0.091 -26.063 -4.177 42 HA PHE 7 HA PHE 7 -2.053 -24.323 -5.539 43 HB2 PHE 7 2HB PHE 7 -1.651 -24.410 -2.509 44 HB3 PHE 7 3HB PHE 7 -2.486 -23.106 -3.348 45 HD1 PHE 7 HD2 PHE 7 -4.613 -23.646 -4.657 46 HD2 PHE 7 HD1 PHE 7 -2.833 -26.432 -1.938 47 HE1 PHE 7 HE2 PHE 7 -6.723 -24.909 -4.557 48 HE2 PHE 7 HE1 PHE 7 -4.949 -27.690 -1.854 49 HZ PHE 7 HZ PHE 7 -6.893 -26.929 -3.161 50 H GLY 8 H GLY 8 -1.140 -22.481 -6.271 51 HA2 GLY 8 2HA GLY 8 1.691 -21.988 -5.930 52 HA3 GLY 8 3HA GLY 8 0.572 -21.070 -6.919 53 H ILE 9 H ILE 9 1.479 -21.612 -3.511 54 HA ILE 9 HA ILE 9 0.417 -19.063 -2.622 55 HB ILE 9 HB ILE 9 2.220 -20.988 -1.079 56 HG12 ILE 9 2HG1 ILE 9 0.183 -22.185 -1.808 57 HG13 ILE 9 3HG1 ILE 9 0.137 -21.922 -0.071 58 HG21 ILE 9 1HG2 ILE 9 1.274 -19.915 0.959 59 HG22 ILE 9 2HG2 ILE 9 0.392 -18.773 -0.059 60 HG23 ILE 9 3HG2 ILE 9 2.155 -18.765 -0.048 61 HD11 ILE 9 3HD1 ILE 9 -1.456 -20.093 -0.384 62 HD12 ILE 9 1HD1 ILE 9 -2.039 -21.593 -1.103 63 HD13 ILE 9 2HD1 ILE 9 -1.386 -20.322 -2.133 64 H ARG 10 H ARG 10 1.570 -17.700 -4.090 65 HA ARG 10 HA ARG 10 4.338 -17.011 -3.288 66 HB2 ARG 10 2HB ARG 10 4.430 -18.372 -5.382 67 HB3 ARG 10 3HB ARG 10 3.317 -17.252 -6.161 68 HG2 ARG 10 2HG ARG 10 5.071 -15.434 -5.778 69 HG3 ARG 10 3HG ARG 10 6.175 -16.721 -5.292 70 HD2 ARG 10 2HD ARG 10 4.832 -16.451 -8.005 71 HD3 ARG 10 3HD ARG 10 6.517 -16.064 -7.642 72 HE ARG 10 HE ARG 10 5.948 -18.759 -6.953 73 HH11 ARG 10 1HH1 ARG 10 6.559 -16.774 -9.726 74 HH12 ARG 10 2HH1 ARG 10 7.101 -18.110 -10.678 75 HH21 ARG 10 1HH2 ARG 10 6.650 -20.436 -8.199 76 HH22 ARG 10 2HH2 ARG 10 7.143 -20.150 -9.836 77 H ALA 11 H ALA 11 1.879 -15.838 -5.638 78 HA ALA 11 HA ALA 11 2.574 -13.060 -5.078 79 HB1 ALA 11 3HB ALA 11 2.358 -13.860 -7.398 80 HB2 ALA 11 1HB ALA 11 1.214 -12.559 -7.059 81 HB3 ALA 11 2HB ALA 11 0.657 -14.232 -7.118 82 H LYS 12 H LYS 12 0.750 -14.860 -3.238 83 HA LYS 12 HA LYS 12 -1.790 -13.478 -3.195 84 HB2 LYS 12 2HB LYS 12 -0.586 -15.486 -1.246 85 HB3 LYS 12 3HB LYS 12 -2.229 -14.868 -1.147 86 HG2 LYS 12 2HG LYS 12 -1.073 -16.607 -3.352 87 HG3 LYS 12 3HG LYS 12 -2.231 -17.093 -2.114 88 HD2 LYS 12 2HD LYS 12 -2.703 -15.171 -4.427 89 HD3 LYS 12 3HD LYS 12 -3.416 -16.768 -4.204 90 HE2 LYS 12 2HE LYS 12 -3.980 -14.269 -2.568 91 HE3 LYS 12 3HE LYS 12 -5.080 -15.084 -3.677 92 HZ1 LYS 12 3HZ LYS 12 -5.634 -15.602 -1.416 93 HZ2 LYS 12 1HZ LYS 12 -4.067 -16.159 -1.097 94 HZ3 LYS 12 2HZ LYS 12 -5.063 -16.998 -2.176 95 H LYS 13 H LYS 13 -1.448 -11.303 -2.729 96 HA LYS 13 HA LYS 13 0.028 -10.275 -0.553 97 HB2 LYS 13 2HB LYS 13 -0.680 -9.066 -2.687 98 HB3 LYS 13 3HB LYS 13 -2.308 -8.996 -2.031 99 HG2 LYS 13 2HG LYS 13 -1.479 -7.706 -0.134 100 HG3 LYS 13 3HG LYS 13 0.152 -7.774 -0.789 101 HD2 LYS 13 2HD LYS 13 -2.191 -6.473 -2.244 102 HD3 LYS 13 3HD LYS 13 -1.110 -5.586 -1.176 103 HE2 LYS 13 2HE LYS 13 -0.390 -5.187 -3.437 104 HE3 LYS 13 3HE LYS 13 0.804 -6.240 -2.690 105 HZ1 LYS 13 3HZ LYS 13 -0.142 -8.106 -3.841 106 HZ2 LYS 13 1HZ LYS 13 0.245 -6.893 -4.947 107 HZ3 LYS 13 2HZ LYS 13 -1.364 -7.144 -4.500 108 H THR 14 H THR 14 -0.520 -10.733 1.528 109 HA THR 14 HA THR 14 -3.065 -11.910 2.211 110 HB THR 14 HB THR 14 -2.158 -12.332 4.433 111 HG1 THR 14 HG1 THR 14 -0.457 -11.278 5.261 112 HG21 THR 14 3HG2 THR 14 -1.276 -13.815 2.657 113 HG22 THR 14 1HG2 THR 14 -0.069 -13.543 3.916 114 HG23 THR 14 2HG2 THR 14 0.059 -12.693 2.375 115 H LYS 15 H LYS 15 -4.427 -11.272 3.990 116 HA LYS 15 HA LYS 15 -5.454 -8.690 3.970 117 HB2 LYS 15 2HB LYS 15 -6.728 -10.629 4.712 118 HB3 LYS 15 3HB LYS 15 -5.639 -10.883 6.071 119 HG2 LYS 15 2HG LYS 15 -6.429 -8.814 7.125 120 HG3 LYS 15 3HG LYS 15 -7.480 -8.488 5.742 121 HD2 LYS 15 2HD LYS 15 -8.831 -10.461 6.241 122 HD3 LYS 15 3HD LYS 15 -7.716 -10.955 7.517 123 HE2 LYS 15 2HE LYS 15 -9.767 -9.911 8.430 124 HE3 LYS 15 3HE LYS 15 -8.321 -8.995 8.850 125 HZ1 LYS 15 3HZ LYS 15 -10.154 -8.321 6.617 126 HZ2 LYS 15 1HZ LYS 15 -8.840 -7.401 7.149 127 HZ3 LYS 15 2HZ LYS 15 -10.195 -7.600 8.143 128 H GLU 16 H GLU 16 -2.944 -10.030 6.011 129 HA GLU 16 HA GLU 16 -2.685 -7.959 7.944 130 HB2 GLU 16 2HB GLU 16 -0.719 -10.056 6.927 131 HB3 GLU 16 3HB GLU 16 -0.344 -8.969 8.254 132 HG2 GLU 16 2HG GLU 16 -1.017 -11.187 9.059 133 HG3 GLU 16 3HG GLU 16 -2.121 -9.931 9.615 134 H GLN 17 H GLN 17 -1.082 -8.546 4.819 135 HA GLN 17 HA GLN 17 0.621 -6.253 4.830 136 HB2 GLN 17 2HB GLN 17 -0.415 -7.885 2.470 137 HB3 GLN 17 3HB GLN 17 0.926 -6.740 2.410 138 HG2 GLN 17 2HG GLN 17 2.225 -8.142 3.944 139 HG3 GLN 17 3HG GLN 17 0.883 -9.275 4.084 140 HE21 GLN 17 1HE2 GLN 17 3.596 -9.795 3.181 141 HE22 GLN 17 2HE2 GLN 17 3.471 -10.423 1.580 142 H LEU 18 H LEU 18 -2.615 -6.888 3.520 143 HA LEU 18 HA LEU 18 -3.090 -4.531 2.084 144 HB2 LEU 18 2HB LEU 18 -5.136 -6.178 3.626 145 HB3 LEU 18 3HB LEU 18 -5.504 -5.028 2.349 146 HG LEU 18 HG LEU 18 -3.988 -7.643 1.988 147 HD11 LEU 18 1HD1 LEU 18 -6.800 -6.944 1.109 148 HD12 LEU 18 2HD1 LEU 18 -6.362 -8.029 2.429 149 HD13 LEU 18 3HD1 LEU 18 -5.938 -8.451 0.772 150 HD21 LEU 18 3HD2 LEU 18 -3.196 -5.974 0.399 151 HD22 LEU 18 1HD2 LEU 18 -4.853 -5.642 -0.118 152 HD23 LEU 18 2HD2 LEU 18 -4.124 -7.225 -0.418 153 H ALA 19 H ALA 19 -3.439 -5.223 5.538 154 HA ALA 19 HA ALA 19 -5.081 -3.142 6.409 155 HB1 ALA 19 3HB ALA 19 -4.182 -3.591 8.653 156 HB2 ALA 19 1HB ALA 19 -2.820 -4.465 7.946 157 HB3 ALA 19 2HB ALA 19 -4.458 -5.096 7.775 158 H GLU 20 H GLU 20 -1.509 -3.166 6.337 159 HA GLU 20 HA GLU 20 -1.136 -0.568 7.454 160 HB2 GLU 20 2HB GLU 20 0.842 -2.092 5.710 161 HB3 GLU 20 3HB GLU 20 1.213 -0.855 6.911 162 HG2 GLU 20 2HG GLU 20 0.155 -3.651 7.434 163 HG3 GLU 20 3HG GLU 20 1.770 -3.044 7.785 164 H LEU 21 H LEU 21 -1.404 -1.771 4.178 165 HA LEU 21 HA LEU 21 -0.748 0.615 2.762 166 HB2 LEU 21 2HB LEU 21 -2.460 -1.728 1.864 167 HB3 LEU 21 3HB LEU 21 -1.695 -0.544 0.813 168 HG LEU 21 HG LEU 21 -0.213 -2.560 2.552 169 HD11 LEU 21 1HD1 LEU 21 0.367 -3.705 0.464 170 HD12 LEU 21 2HD1 LEU 21 -0.646 -2.583 -0.447 171 HD13 LEU 21 3HD1 LEU 21 -1.376 -3.682 0.726 172 HD21 LEU 21 3HD2 LEU 21 1.091 -0.507 2.244 173 HD22 LEU 21 1HD2 LEU 21 0.888 -0.622 0.494 174 HD23 LEU 21 2HD2 LEU 21 1.812 -1.851 1.363 175 H LYS 22 H LYS 22 -3.787 -0.744 4.019 176 HA LYS 22 HA LYS 22 -5.663 1.016 2.834 177 HB2 LYS 22 2HB LYS 22 -5.760 -0.555 5.442 178 HB3 LYS 22 3HB LYS 22 -7.129 0.391 4.865 179 HG2 LYS 22 2HG LYS 22 -7.391 -1.015 2.930 180 HG3 LYS 22 3HG LYS 22 -5.879 -1.863 3.263 181 HD2 LYS 22 2HD LYS 22 -6.862 -2.754 5.372 182 HD3 LYS 22 3HD LYS 22 -8.378 -1.927 5.002 183 HE2 LYS 22 2HE LYS 22 -7.125 -4.098 3.282 184 HE3 LYS 22 3HE LYS 22 -8.416 -4.357 4.457 185 HZ1 LYS 22 3HZ LYS 22 -9.851 -2.931 3.199 186 HZ2 LYS 22 1HZ LYS 22 -9.229 -4.128 2.180 187 HZ3 LYS 22 2HZ LYS 22 -8.616 -2.556 2.109 188 H VAL 23 H VAL 23 -4.068 1.118 6.021 189 HA VAL 23 HA VAL 23 -5.228 3.536 6.932 190 HB VAL 23 HB VAL 23 -2.596 2.270 7.826 191 HG11 VAL 23 1HG1 VAL 23 -4.405 4.239 9.295 192 HG12 VAL 23 2HG1 VAL 23 -2.799 4.584 8.651 193 HG13 VAL 23 3HG1 VAL 23 -2.983 3.447 9.986 194 HG21 VAL 23 3HG2 VAL 23 -5.417 1.824 8.894 195 HG22 VAL 23 1HG2 VAL 23 -3.940 1.147 9.590 196 HG23 VAL 23 2HG2 VAL 23 -4.458 0.661 7.976 197 H SER 24 H SER 24 -2.309 2.901 5.027 198 HA SER 24 HA SER 24 -1.287 5.572 4.916 199 HB2 SER 24 2HB SER 24 0.100 3.620 4.269 200 HB3 SER 24 3HB SER 24 -0.967 3.297 2.904 201 HG SER 24 HG SER 24 1.081 5.081 3.120 202 H TYR 25 H TYR 25 -3.486 3.731 2.789 203 HA TYR 25 HA TYR 25 -3.893 5.647 0.748 204 HB2 TYR 25 2HB TYR 25 -4.415 3.220 0.528 205 HB3 TYR 25 3HB TYR 25 -5.750 3.401 1.655 206 HD1 TYR 25 HD1 TYR 25 -4.569 4.245 -1.785 207 HD2 TYR 25 HD2 TYR 25 -7.910 4.254 0.886 208 HE1 TYR 25 HE1 TYR 25 -6.084 4.713 -3.672 209 HE2 TYR 25 HE2 TYR 25 -9.412 4.720 -1.000 210 HH TYR 25 HH TYR 25 -9.230 5.766 -3.293 211 H LEU 26 H LEU 26 -5.518 5.140 3.841 212 HA LEU 26 HA LEU 26 -7.796 6.778 3.498 213 HB2 LEU 26 2HB LEU 26 -6.301 5.927 5.995 214 HB3 LEU 26 3HB LEU 26 -7.807 6.829 6.056 215 HG LEU 26 HG LEU 26 -7.505 4.071 4.795 216 HD11 LEU 26 1HD1 LEU 26 -7.198 3.932 7.214 217 HD12 LEU 26 2HD1 LEU 26 -8.727 3.201 6.732 218 HD13 LEU 26 3HD1 LEU 26 -8.713 4.801 7.479 219 HD21 LEU 26 3HD2 LEU 26 -9.958 4.044 4.703 220 HD22 LEU 26 1HD2 LEU 26 -9.310 5.386 3.761 221 HD23 LEU 26 2HD2 LEU 26 -10.021 5.686 5.348 222 H LYS 27 H LYS 27 -4.482 7.680 4.133 223 HA LYS 27 HA LYS 27 -5.230 10.517 4.459 224 HB2 LYS 27 2HB LYS 27 -2.494 9.163 4.461 225 HB3 LYS 27 3HB LYS 27 -2.707 10.906 4.486 226 HG2 LYS 27 2HG LYS 27 -2.316 10.316 6.737 227 HG3 LYS 27 3HG LYS 27 -4.054 10.605 6.631 228 HD2 LYS 27 2HD LYS 27 -4.445 8.154 6.506 229 HD3 LYS 27 3HD LYS 27 -2.704 7.878 6.602 230 HE2 LYS 27 2HE LYS 27 -2.706 8.979 8.855 231 HE3 LYS 27 3HE LYS 27 -4.467 9.093 8.759 232 HZ1 LYS 27 3HZ LYS 27 -2.885 6.583 8.679 233 HZ2 LYS 27 1HZ LYS 27 -4.570 6.693 8.594 234 HZ3 LYS 27 2HZ LYS 27 -3.766 7.153 10.007 235 H ASN 28 H ASN 28 -3.274 8.491 2.219 236 HA ASN 28 HA ASN 28 -4.209 9.974 -0.094 237 HB2 ASN 28 2HB ASN 28 -1.785 10.491 -0.855 238 HB3 ASN 28 3HB ASN 28 -2.495 11.522 0.371 239 HD21 ASN 28 1HD2 ASN 28 -1.190 8.320 1.229 240 HD22 ASN 28 2HD2 ASN 28 0.180 8.945 2.059 241 H GLN 29 H GLN 29 -4.134 8.838 -1.978 242 HA GLN 29 HA GLN 29 -3.136 6.168 -2.196 243 HB2 GLN 29 2HB GLN 29 -4.971 6.803 -3.619 244 HB3 GLN 29 3HB GLN 29 -4.101 8.198 -4.253 245 HG2 GLN 29 2HG GLN 29 -2.589 6.768 -5.491 246 HG3 GLN 29 3HG GLN 29 -3.259 5.324 -4.739 247 HE21 GLN 29 1HE2 GLN 29 -5.247 4.563 -5.451 248 HE22 GLN 29 2HE2 GLN 29 -5.934 5.074 -6.941 249 H PHE 30 H PHE 30 -1.803 9.330 -2.775 250 HA PHE 30 HA PHE 30 0.699 8.273 -3.956 251 HB2 PHE 30 2HB PHE 30 -0.167 11.195 -3.912 252 HB3 PHE 30 3HB PHE 30 1.041 10.439 -4.945 253 HD1 PHE 30 HD2 PHE 30 0.251 8.848 -6.791 254 HD2 PHE 30 HD1 PHE 30 -2.464 11.307 -4.582 255 HE1 PHE 30 HE2 PHE 30 -1.466 8.528 -8.528 256 HE2 PHE 30 HE1 PHE 30 -4.174 10.973 -6.315 257 HZ PHE 30 HZ PHE 30 -3.682 9.584 -8.290 258 HA PRO 31 HA PRO 31 2.091 9.635 0.265 259 HB2 PRO 31 2HB PRO 31 3.213 7.366 1.139 260 HB3 PRO 31 3HB PRO 31 1.452 7.496 1.014 261 HG2 PRO 31 2HG PRO 31 3.379 6.074 -0.783 262 HG3 PRO 31 3HG PRO 31 1.733 5.612 -0.314 263 HD2 PRO 31 2HD PRO 31 2.514 6.961 -2.712 264 HD3 PRO 31 3HD PRO 31 0.857 6.691 -2.139 265 H HIS 32 H HIS 32 4.525 8.999 1.273 266 HA HIS 32 HA HIS 32 6.370 10.302 -0.598 267 HB2 HIS 32 2HB HIS 32 6.588 9.651 2.374 268 HB3 HIS 32 3HB HIS 32 7.863 10.447 1.450 269 HD2 HIS 32 HD2 HIS 32 4.236 11.224 2.759 270 HE1 HIS 32 HE1 HIS 32 6.080 14.818 1.487 271 HE2 HIS 32 HE2 HIS 32 4.146 13.818 2.774 272 H ASP 33 H ASP 33 8.437 9.494 -1.157 273 HA ASP 33 HA ASP 33 8.405 6.854 -2.098 274 HB2 ASP 33 2HB ASP 33 9.676 8.785 -3.093 275 HB3 ASP 33 3HB ASP 33 10.830 8.677 -1.772 276 H SER 34 H SER 34 10.489 8.210 0.505 277 HA SER 34 HA SER 34 11.712 5.799 1.351 278 HB2 SER 34 2HB SER 34 12.663 7.956 1.966 279 HB3 SER 34 3HB SER 34 11.220 8.378 2.890 280 HG SER 34 HG SER 34 13.276 7.381 3.927 281 H GLU 35 H GLU 35 8.679 7.289 2.283 282 HA GLU 35 HA GLU 35 8.004 5.668 4.512 283 HB2 GLU 35 2HB GLU 35 6.938 7.815 4.088 284 HB3 GLU 35 3HB GLU 35 6.310 7.251 2.548 285 HG2 GLU 35 2HG GLU 35 4.780 5.720 3.701 286 HG3 GLU 35 3HG GLU 35 5.450 6.205 5.263 287 H ILE 36 H ILE 36 7.387 5.283 1.005 288 HA ILE 36 HA ILE 36 5.844 2.873 1.160 289 HB ILE 36 HB ILE 36 7.569 3.783 -1.189 290 HG12 ILE 36 2HG1 ILE 36 4.626 4.415 -0.698 291 HG13 ILE 36 3HG1 ILE 36 5.941 5.554 -0.453 292 HG21 ILE 36 1HG2 ILE 36 6.008 2.452 -2.589 293 HG22 ILE 36 2HG2 ILE 36 5.150 1.929 -1.138 294 HG23 ILE 36 3HG2 ILE 36 6.825 1.439 -1.397 295 HD11 ILE 36 3HD1 ILE 36 5.080 4.336 -3.071 296 HD12 ILE 36 1HD1 ILE 36 6.485 5.392 -2.861 297 HD13 ILE 36 2HD1 ILE 36 4.863 6.001 -2.536 298 H ILE 37 H ILE 37 9.325 3.540 0.852 299 HA ILE 37 HA ILE 37 10.317 0.929 0.552 300 HB ILE 37 HB ILE 37 11.562 3.327 1.966 301 HG12 ILE 37 2HG1 ILE 37 12.013 2.232 -0.856 302 HG13 ILE 37 3HG1 ILE 37 11.058 3.656 -0.463 303 HG21 ILE 37 1HG2 ILE 37 13.765 2.206 1.732 304 HG22 ILE 37 2HG2 ILE 37 12.962 0.756 1.125 305 HG23 ILE 37 3HG2 ILE 37 12.680 1.294 2.782 306 HD11 ILE 37 3HD1 ILE 37 13.224 4.277 -1.325 307 HD12 ILE 37 1HD1 ILE 37 14.034 3.346 -0.067 308 HD13 ILE 37 2HD1 ILE 37 13.087 4.774 0.361 309 H ARG 38 H ARG 38 9.483 2.738 3.515 310 HA ARG 38 HA ARG 38 10.123 0.656 5.350 311 HB2 ARG 38 2HB ARG 38 9.958 3.012 6.050 312 HB3 ARG 38 3HB ARG 38 8.231 3.010 5.705 313 HG2 ARG 38 2HG ARG 38 7.759 1.541 7.535 314 HG3 ARG 38 3HG ARG 38 9.462 1.122 7.742 315 HD2 ARG 38 2HD ARG 38 8.264 3.871 8.259 316 HD3 ARG 38 3HD ARG 38 8.650 2.675 9.502 317 HE ARG 38 HE ARG 38 11.011 2.909 8.295 318 HH11 ARG 38 1HH1 ARG 38 8.875 5.424 9.342 319 HH12 ARG 38 2HH1 ARG 38 10.175 6.520 9.654 320 HH21 ARG 38 1HH2 ARG 38 12.638 4.335 8.706 321 HH22 ARG 38 2HH2 ARG 38 12.263 5.914 9.306 322 H LEU 39 H LEU 39 7.090 1.530 3.659 323 HA LEU 39 HA LEU 39 5.383 -0.391 4.808 324 HB2 LEU 39 2HB LEU 39 5.359 0.808 2.017 325 HB3 LEU 39 3HB LEU 39 4.091 -0.255 2.607 326 HG LEU 39 HG LEU 39 4.793 2.471 3.778 327 HD11 LEU 39 1HD1 LEU 39 2.380 1.637 2.128 328 HD12 LEU 39 2HD1 LEU 39 3.709 2.663 1.583 329 HD13 LEU 39 3HD1 LEU 39 2.640 3.223 2.865 330 HD21 LEU 39 3HD2 LEU 39 3.976 0.959 5.531 331 HD22 LEU 39 1HD2 LEU 39 2.559 0.555 4.556 332 HD23 LEU 39 2HD2 LEU 39 2.775 2.194 5.174 333 H MET 40 H MET 40 7.779 -0.745 2.171 334 HA MET 40 HA MET 40 7.183 -3.427 1.420 335 HB2 MET 40 2HB MET 40 9.904 -2.042 1.383 336 HB3 MET 40 3HB MET 40 9.527 -3.551 0.562 337 HG2 MET 40 2HG MET 40 7.811 -2.239 -0.784 338 HG3 MET 40 3HG MET 40 8.526 -0.779 -0.099 339 HE1 MET 40 3HE MET 40 11.663 -1.870 0.028 340 HE2 MET 40 1HE MET 40 11.246 -0.224 -0.448 341 HE3 MET 40 2HE MET 40 12.274 -1.208 -1.487 342 H LYS 41 H LYS 41 9.200 -2.059 3.982 343 HA LYS 41 HA LYS 41 10.406 -4.485 4.889 344 HB2 LYS 41 2HB LYS 41 10.033 -1.819 6.317 345 HB3 LYS 41 3HB LYS 41 11.059 -3.128 6.899 346 HG2 LYS 41 2HG LYS 41 11.454 -1.635 4.279 347 HG3 LYS 41 3HG LYS 41 12.331 -1.311 5.776 348 HD2 LYS 41 2HD LYS 41 13.241 -3.647 5.702 349 HD3 LYS 41 3HD LYS 41 12.418 -3.896 4.160 350 HE2 LYS 41 2HE LYS 41 13.790 -2.139 3.119 351 HE3 LYS 41 3HE LYS 41 14.563 -1.797 4.670 352 HZ1 LYS 41 3HZ LYS 41 15.492 -4.011 4.671 353 HZ2 LYS 41 1HZ LYS 41 15.931 -3.204 3.251 354 HZ3 LYS 41 2HZ LYS 41 14.718 -4.377 3.214 355 H ILE 42 H ILE 42 7.427 -2.786 5.770 356 HA ILE 42 HA ILE 42 6.847 -4.406 8.100 357 HB ILE 42 HB ILE 42 4.981 -2.529 6.574 358 HG12 ILE 42 2HG1 ILE 42 6.946 -1.281 7.393 359 HG13 ILE 42 3HG1 ILE 42 5.520 -0.824 8.312 360 HG21 ILE 42 1HG2 ILE 42 4.715 -3.664 9.388 361 HG22 ILE 42 2HG2 ILE 42 3.720 -4.085 7.993 362 HG23 ILE 42 3HG2 ILE 42 3.643 -2.458 8.668 363 HD11 ILE 42 3HD1 ILE 42 7.706 -2.690 9.238 364 HD12 ILE 42 1HD1 ILE 42 6.272 -2.240 10.166 365 HD13 ILE 42 2HD1 ILE 42 7.464 -1.016 9.734 366 H THR 43 H THR 43 5.632 -4.268 4.740 367 HA THR 43 HA THR 43 3.638 -6.347 5.173 368 HB THR 43 HB THR 43 3.029 -6.013 2.797 369 HG1 THR 43 HG1 THR 43 4.565 -3.846 2.253 370 HG21 THR 43 3HG2 THR 43 3.391 -3.371 4.265 371 HG22 THR 43 1HG2 THR 43 2.026 -4.476 4.447 372 HG23 THR 43 2HG2 THR 43 2.296 -3.652 2.910 373 H GLY 44 H GLY 44 6.670 -6.019 3.312 374 HA2 GLY 44 2HA GLY 44 8.162 -7.824 2.805 375 HA3 GLY 44 3HA GLY 44 6.824 -8.960 2.917 376 H LEU 45 H LEU 45 5.901 -6.192 1.242 377 HA LEU 45 HA LEU 45 5.911 -7.515 -1.372 378 HB2 LEU 45 2HB LEU 45 4.755 -4.838 -0.480 379 HB3 LEU 45 3HB LEU 45 4.456 -5.617 -2.029 380 HG LEU 45 HG LEU 45 3.636 -6.829 0.644 381 HD11 LEU 45 1HD1 LEU 45 2.434 -4.726 0.311 382 HD12 LEU 45 2HD1 LEU 45 1.351 -6.106 0.149 383 HD13 LEU 45 3HD1 LEU 45 1.914 -5.253 -1.292 384 HD21 LEU 45 3HD2 LEU 45 3.922 -8.487 -1.146 385 HD22 LEU 45 1HD2 LEU 45 2.838 -7.568 -2.197 386 HD23 LEU 45 2HD2 LEU 45 2.223 -8.314 -0.719 387 H THR 46 H THR 46 6.355 -5.954 -3.317 388 HA THR 46 HA THR 46 8.944 -4.599 -2.919 389 HB THR 46 HB THR 46 9.323 -4.715 -5.277 390 HG1 THR 46 HG1 THR 46 7.529 -5.556 -6.662 391 HG21 THR 46 3HG2 THR 46 7.870 -7.292 -4.535 392 HG22 THR 46 1HG2 THR 46 9.566 -6.929 -4.191 393 HG23 THR 46 2HG2 THR 46 9.022 -7.101 -5.859 394 H LYS 47 H LYS 47 9.272 -2.587 -4.317 395 HA LYS 47 HA LYS 47 7.738 -0.441 -3.429 396 HB2 LYS 47 2HB LYS 47 10.139 -0.508 -4.372 397 HB3 LYS 47 3HB LYS 47 9.419 -0.451 -5.972 398 HG2 LYS 47 2HG LYS 47 10.134 1.762 -5.390 399 HG3 LYS 47 3HG LYS 47 8.367 1.752 -5.352 400 HD2 LYS 47 2HD LYS 47 8.354 1.680 -2.926 401 HD3 LYS 47 3HD LYS 47 10.099 1.415 -2.866 402 HE2 LYS 47 2HE LYS 47 8.786 3.938 -3.938 403 HE3 LYS 47 3HE LYS 47 9.410 3.758 -2.298 404 HZ1 LYS 47 3HZ LYS 47 11.051 3.447 -4.752 405 HZ2 LYS 47 1HZ LYS 47 11.604 3.448 -3.160 406 HZ3 LYS 47 2HZ LYS 47 10.966 4.857 -3.833 407 H GLY 48 H GLY 48 7.613 -2.197 -6.492 408 HA2 GLY 48 2HA GLY 48 5.608 -0.623 -7.781 409 HA3 GLY 48 3HA GLY 48 6.201 -2.193 -8.287 410 H GLU 49 H GLU 49 5.464 -3.647 -5.840 411 HA GLU 49 HA GLU 49 2.813 -4.418 -6.536 412 HB2 GLU 49 2HB GLU 49 4.336 -5.045 -3.968 413 HB3 GLU 49 3HB GLU 49 2.843 -5.836 -4.471 414 HG2 GLU 49 2HG GLU 49 5.555 -6.000 -5.791 415 HG3 GLU 49 3HG GLU 49 4.676 -7.289 -4.977 416 H ILE 50 H ILE 50 4.027 -2.299 -4.029 417 HA ILE 50 HA ILE 50 1.599 -1.913 -2.585 418 HB ILE 50 HB ILE 50 4.137 -0.243 -2.781 419 HG12 ILE 50 2HG1 ILE 50 3.194 -2.195 -0.625 420 HG13 ILE 50 3HG1 ILE 50 4.389 -2.566 -1.863 421 HG21 ILE 50 1HG2 ILE 50 3.431 0.881 -0.673 422 HG22 ILE 50 2HG2 ILE 50 1.860 0.085 -0.792 423 HG23 ILE 50 3HG2 ILE 50 2.356 1.249 -2.021 424 HD11 ILE 50 3HD1 ILE 50 4.683 -0.520 0.332 425 HD12 ILE 50 1HD1 ILE 50 5.889 -0.884 -0.907 426 HD13 ILE 50 2HD1 ILE 50 5.427 -2.115 0.268 427 H LYS 51 H LYS 51 3.142 -0.106 -5.258 428 HA LYS 51 HA LYS 51 1.112 1.894 -5.502 429 HB2 LYS 51 2HB LYS 51 3.382 1.005 -7.296 430 HB3 LYS 51 3HB LYS 51 2.201 2.175 -7.878 431 HG2 LYS 51 2HG LYS 51 3.909 2.521 -5.388 432 HG3 LYS 51 3HG LYS 51 4.240 3.251 -6.965 433 HD2 LYS 51 2HD LYS 51 2.074 4.479 -6.841 434 HD3 LYS 51 3HD LYS 51 1.757 3.759 -5.259 435 HE2 LYS 51 2HE LYS 51 2.589 6.051 -5.028 436 HE3 LYS 51 3HE LYS 51 3.736 4.901 -4.346 437 HZ1 LYS 51 3HZ LYS 51 4.878 6.566 -5.628 438 HZ2 LYS 51 1HZ LYS 51 3.943 6.222 -6.994 439 HZ3 LYS 51 2HZ LYS 51 5.029 5.071 -6.402 440 H LYS 52 H LYS 52 1.573 -1.276 -7.047 441 HA LYS 52 HA LYS 52 -0.591 -1.246 -8.856 442 HB2 LYS 52 2HB LYS 52 0.616 -3.565 -7.294 443 HB3 LYS 52 3HB LYS 52 -0.631 -3.780 -8.519 444 HG2 LYS 52 2HG LYS 52 0.920 -2.796 -10.213 445 HG3 LYS 52 3HG LYS 52 2.177 -2.716 -8.972 446 HD2 LYS 52 2HD LYS 52 2.047 -5.183 -8.692 447 HD3 LYS 52 3HD LYS 52 0.796 -5.259 -9.934 448 HE2 LYS 52 2HE LYS 52 2.901 -5.914 -10.915 449 HE3 LYS 52 3HE LYS 52 2.456 -4.341 -11.577 450 HZ1 LYS 52 3HZ LYS 52 4.377 -4.798 -9.364 451 HZ2 LYS 52 1HZ LYS 52 3.989 -3.299 -10.048 452 HZ3 LYS 52 2HZ LYS 52 4.794 -4.466 -10.968 453 H TRP 53 H TRP 53 -0.412 -2.037 -5.396 454 HA TRP 53 HA TRP 53 -3.090 -2.821 -4.987 455 HB2 TRP 53 2HB TRP 53 -1.275 -3.234 -3.315 456 HB3 TRP 53 3HB TRP 53 -1.197 -1.509 -2.976 457 HD1 TRP 53 HD1 TRP 53 -3.302 -4.614 -2.246 458 HE1 TRP 53 HE1 TRP 53 -5.039 -4.063 -0.441 459 HE3 TRP 53 HE3 TRP 53 -2.679 0.462 -1.969 460 HZ2 TRP 53 HZ2 TRP 53 -6.036 -1.833 0.909 461 HZ3 TRP 53 HZ3 TRP 53 -4.092 1.730 -0.411 462 HH2 TRP 53 HH2 TRP 53 -5.739 0.606 1.000 463 H PHE 54 H PHE 54 -1.510 0.393 -4.621 464 HA PHE 54 HA PHE 54 -3.692 1.842 -3.633 465 HB2 PHE 54 2HB PHE 54 -1.233 2.689 -5.190 466 HB3 PHE 54 3HB PHE 54 -2.455 3.875 -4.766 467 HD1 PHE 54 HD2 PHE 54 -3.233 3.355 -2.081 468 HD2 PHE 54 HD1 PHE 54 0.657 2.941 -3.802 469 HE1 PHE 54 HE2 PHE 54 -2.220 3.691 0.130 470 HE2 PHE 54 HE1 PHE 54 1.664 3.292 -1.583 471 HZ PHE 54 HZ PHE 54 0.229 3.662 0.383 472 H SER 55 H SER 55 -2.675 1.463 -7.039 473 HA SER 55 HA SER 55 -4.728 2.997 -8.254 474 HB2 SER 55 2HB SER 55 -3.167 0.661 -9.441 475 HB3 SER 55 3HB SER 55 -4.023 1.907 -10.355 476 HG SER 55 HG SER 55 -2.572 3.431 -9.266 477 H ASP 56 H ASP 56 -4.505 -0.470 -7.519 478 HA ASP 56 HA ASP 56 -6.879 -1.320 -8.858 479 HB2 ASP 56 2HB ASP 56 -4.891 -2.765 -8.299 480 HB3 ASP 56 3HB ASP 56 -5.342 -2.683 -6.602 481 H THR 57 H THR 57 -6.169 -0.389 -5.528 482 HA THR 57 HA THR 57 -8.657 -1.068 -4.331 483 HB THR 57 HB THR 57 -6.495 0.877 -3.411 484 HG1 THR 57 HG1 THR 57 -5.568 -0.979 -3.023 485 HG21 THR 57 3HG2 THR 57 -8.819 -0.234 -1.784 486 HG22 THR 57 1HG2 THR 57 -8.630 1.453 -2.275 487 HG23 THR 57 2HG2 THR 57 -7.484 0.725 -1.146 488 H ARG 58 H ARG 58 -7.469 1.864 -5.942 489 HA ARG 58 HA ARG 58 -9.562 3.615 -5.290 490 HB2 ARG 58 2HB ARG 58 -7.287 4.055 -6.564 491 HB3 ARG 58 3HB ARG 58 -8.230 3.718 -8.013 492 HG2 ARG 58 2HG ARG 58 -9.834 5.527 -7.292 493 HG3 ARG 58 3HG ARG 58 -8.724 5.895 -5.966 494 HD2 ARG 58 2HD ARG 58 -6.949 6.443 -7.602 495 HD3 ARG 58 3HD ARG 58 -8.056 6.059 -8.929 496 HE ARG 58 HE ARG 58 -8.765 8.172 -7.013 497 HH11 ARG 58 1HH1 ARG 58 -7.852 7.348 -10.248 498 HH12 ARG 58 2HH1 ARG 58 -8.313 8.890 -10.874 499 HH21 ARG 58 1HH2 ARG 58 -9.361 10.122 -7.846 500 HH22 ARG 58 2HH2 ARG 58 -9.160 10.436 -9.535 501 H TYR 59 H TYR 59 -9.295 1.139 -7.830 502 HA TYR 59 HA TYR 59 -11.812 1.534 -9.075 503 HB2 TYR 59 2HB TYR 59 -10.153 0.115 -10.165 504 HB3 TYR 59 3HB TYR 59 -10.153 -1.006 -8.808 505 HD1 TYR 59 HD2 TYR 59 -12.322 0.324 -11.570 506 HD2 TYR 59 HD1 TYR 59 -11.742 -2.839 -8.744 507 HE1 TYR 59 HE2 TYR 59 -14.134 -0.964 -12.628 508 HE2 TYR 59 HE1 TYR 59 -13.556 -4.117 -9.799 509 HH TYR 59 HH TYR 59 -15.522 -3.741 -11.179 510 H ASN 60 H ASN 60 -10.836 -0.474 -6.288 511 HA ASN 60 HA ASN 60 -13.341 -1.703 -5.805 512 HB2 ASN 60 2HB ASN 60 -11.115 -1.135 -3.803 513 HB3 ASN 60 3HB ASN 60 -12.415 -2.303 -3.591 514 HD21 ASN 60 1HD2 ASN 60 -12.287 -3.293 -6.363 515 HD22 ASN 60 2HD2 ASN 60 -10.842 -4.221 -6.458 516 H GLN 61 H GLN 61 -12.090 1.452 -4.852 517 HA GLN 61 HA GLN 61 -14.168 2.052 -2.932 518 HB2 GLN 61 2HB GLN 61 -12.230 3.950 -4.312 519 HB3 GLN 61 3HB GLN 61 -13.214 4.331 -2.905 520 HG2 GLN 61 2HG GLN 61 -10.991 2.263 -2.974 521 HG3 GLN 61 3HG GLN 61 -10.830 3.904 -2.365 522 HE21 GLN 61 1HE2 GLN 61 -10.163 3.073 -0.342 523 HE22 GLN 61 2HE2 GLN 61 -11.278 2.375 0.768 524 H ARG 62 H ARG 62 -13.795 2.451 -6.410 525 HA ARG 62 HA ARG 62 -16.351 3.959 -6.591 526 HB2 ARG 62 2HB ARG 62 -15.705 4.595 -8.839 527 HB3 ARG 62 3HB ARG 62 -14.351 4.921 -7.764 528 HG2 ARG 62 2HG ARG 62 -13.257 2.832 -8.533 529 HG3 ARG 62 3HG ARG 62 -14.601 2.544 -9.639 530 HD2 ARG 62 2HD ARG 62 -12.646 4.868 -9.721 531 HD3 ARG 62 3HD ARG 62 -12.713 3.512 -10.851 532 HE ARG 62 HE ARG 62 -14.453 5.841 -10.769 533 HH11 ARG 62 1HH1 ARG 62 -14.113 2.642 -12.070 534 HH12 ARG 62 2HH1 ARG 62 -15.114 2.989 -13.430 535 HH21 ARG 62 1HH2 ARG 62 -15.720 6.241 -12.510 536 HH22 ARG 62 2HH2 ARG 62 -16.014 4.994 -13.674 537 H ASN 63 H ASN 63 -15.524 0.849 -6.425 538 HA ASN 63 HA ASN 63 -16.618 -0.440 -8.704 539 HB2 ASN 63 2HB ASN 63 -15.032 -1.525 -7.163 540 HB3 ASN 63 3HB ASN 63 -16.199 -1.448 -5.856 541 HD21 ASN 63 1HD2 ASN 63 -16.810 -2.440 -9.232 542 HD22 ASN 63 2HD2 ASN 63 -17.244 -4.061 -8.827 543 H SER 64 H SER 64 -18.643 -1.440 -9.027 544 HA SER 64 HA SER 64 -20.927 -0.200 -7.684 545 HB2 SER 64 2HB SER 64 -20.839 -2.165 -10.021 546 HB3 SER 64 3HB SER 64 -22.269 -1.286 -9.470 547 HG SER 64 HG SER 64 -20.094 -0.413 -10.948 548 H LYS 65 H LYS 65 -21.487 -1.092 -5.748 549 HA LYS 65 HA LYS 65 -21.079 -3.886 -5.117 550 HB2 LYS 65 2HB LYS 65 -22.212 -1.561 -3.533 551 HB3 LYS 65 3HB LYS 65 -22.305 -3.203 -2.914 552 HG2 LYS 65 2HG LYS 65 -20.412 -2.166 -1.894 553 HG3 LYS 65 3HG LYS 65 -19.785 -3.334 -3.059 554 HD2 LYS 65 2HD LYS 65 -19.360 -1.482 -4.661 555 HD3 LYS 65 3HD LYS 65 -19.996 -0.324 -3.489 556 HE2 LYS 65 2HE LYS 65 -17.514 -2.047 -3.144 557 HE3 LYS 65 3HE LYS 65 -17.547 -0.312 -3.461 558 HZ1 LYS 65 3HZ LYS 65 -18.535 -1.683 -1.013 559 HZ2 LYS 65 1HZ LYS 65 -18.712 -0.028 -1.320 560 HZ3 LYS 65 2HZ LYS 65 -17.172 -0.690 -1.140 561 H SER 66 H SER 66 -22.379 -5.079 -6.492 562 HA SER 66 HA SER 66 -25.264 -4.868 -6.528 563 HB2 SER 66 2HB SER 66 -25.199 -7.039 -7.739 564 HB3 SER 66 3HB SER 66 -24.072 -5.883 -8.448 565 HG SER 66 HG SER 66 -23.527 -8.295 -7.672 566 H ASN 67 H ASN 67 -26.691 -5.755 -5.091 567 HA ASN 67 HA ASN 67 -27.591 -6.753 -3.276 568 HB2 ASN 67 2HB ASN 67 -25.273 -8.728 -3.393 569 HB3 ASN 67 3HB ASN 67 -26.750 -8.942 -2.457 570 HD21 ASN 67 1HD2 ASN 67 -25.652 -10.651 -4.547 571 HD22 ASN 67 2HD2 ASN 67 -26.867 -10.760 -5.766 572 H GLN 68 H GLN 68 -27.079 -7.419 -0.874 573 HA GLN 68 HA GLN 68 -25.981 -5.114 0.367 574 HB2 GLN 68 2HB GLN 68 -26.727 -7.770 1.656 575 HB3 GLN 68 3HB GLN 68 -26.470 -6.253 2.508 576 HG2 GLN 68 2HG GLN 68 -28.694 -6.860 0.542 577 HG3 GLN 68 3HG GLN 68 -28.849 -6.729 2.291 578 HE21 GLN 68 1HE2 GLN 68 -28.702 -4.648 3.253 579 HE22 GLN 68 2HE2 GLN 68 -28.954 -3.216 2.327 580 H CYS 69 H CYS 69 -24.791 -8.495 0.302 581 HA CYS 69 HA CYS 69 -22.744 -9.448 0.353 582 HB2 CYS 69 2HB CYS 69 -21.743 -6.651 -0.301 583 HB3 CYS 69 3HB CYS 69 -20.791 -8.127 -0.445 584 HG CYS 69 HG CYS 69 -23.242 -6.956 -2.438 585 H LEU 70 H LEU 70 -23.765 -7.855 2.886 586 HA LEU 70 HA LEU 70 -21.350 -7.385 4.406 587 HB2 LEU 70 2HB LEU 70 -23.566 -6.191 4.744 588 HB3 LEU 70 3HB LEU 70 -24.205 -7.660 5.448 589 HG LEU 70 HG LEU 70 -21.783 -6.255 6.654 590 HD11 LEU 70 1HD1 LEU 70 -23.284 -5.066 8.206 591 HD12 LEU 70 2HD1 LEU 70 -24.687 -5.673 7.318 592 HD13 LEU 70 3HD1 LEU 70 -23.550 -4.575 6.533 593 HD21 LEU 70 3HD2 LEU 70 -22.176 -8.524 7.508 594 HD22 LEU 70 1HD2 LEU 70 -23.845 -8.113 7.905 595 HD23 LEU 70 2HD2 LEU 70 -22.512 -7.338 8.767 596 H HIS 71 H HIS 71 -23.922 -9.856 4.451 597 HA HIS 71 HA HIS 71 -24.074 -12.004 5.061 598 HB2 HIS 71 2HB HIS 71 -21.930 -12.328 3.787 599 HB3 HIS 71 3HB HIS 71 -21.037 -12.104 5.285 600 HD1 HIS 71 HD1 HIS 71 -21.214 -14.032 7.070 601 HD2 HIS 71 HD2 HIS 71 -23.081 -14.856 3.447 602 HE1 HIS 71 HE1 HIS 71 -21.650 -16.506 7.085 603 HE2 HIS 71 HE2 HIS 71 -22.874 -16.957 4.936 604 H LEU 72 H LEU 72 -24.931 -12.552 6.950 605 HA LEU 72 HA LEU 72 -24.300 -11.369 9.443 606 HB2 LEU 72 2HB LEU 72 -26.026 -12.708 10.412 607 HB3 LEU 72 3HB LEU 72 -26.574 -12.223 8.821 608 HG LEU 72 HG LEU 72 -25.464 -14.986 9.459 609 HD11 LEU 72 1HD1 LEU 72 -28.368 -14.158 9.249 610 HD12 LEU 72 2HD1 LEU 72 -27.512 -14.609 10.726 611 HD13 LEU 72 3HD1 LEU 72 -27.760 -15.805 9.458 612 HD21 LEU 72 3HD2 LEU 72 -26.995 -14.058 7.005 613 HD22 LEU 72 1HD2 LEU 72 -26.428 -15.700 7.330 614 HD23 LEU 72 2HD2 LEU 72 -25.264 -14.402 7.072 615 H ASN 73 H ASN 73 -23.623 -12.382 11.421 616 HA ASN 73 HA ASN 73 -21.923 -14.810 11.190 617 HB2 ASN 73 2HB ASN 73 -21.212 -12.238 12.688 618 HB3 ASN 73 3HB ASN 73 -20.294 -13.740 12.773 619 HD21 ASN 73 1HD2 ASN 73 -21.228 -11.085 10.678 620 HD22 ASN 73 2HD2 ASN 73 -19.967 -11.305 9.523 621 H ASN 74 H ASN 74 -23.072 -16.295 12.335 622 HA ASN 74 HA ASN 74 -24.770 -15.618 14.562 623 HB2 ASN 74 2HB ASN 74 -25.322 -17.990 14.698 624 HB3 ASN 74 3HB ASN 74 -25.362 -17.465 13.021 625 HD21 ASN 74 1HD2 ASN 74 -23.711 -18.212 11.599 626 HD22 ASN 74 2HD2 ASN 74 -22.761 -19.598 11.983 Start of MODEL 18 1 H1 SER 1 1H SER 1 -11.978 -12.002 -18.108 2 H2 SER 1 2H SER 1 -10.690 -11.043 -17.569 3 H3 SER 1 3H SER 1 -10.592 -11.836 -19.063 4 HA SER 1 HA SER 1 -12.478 -9.662 -18.353 5 HB2 SER 1 2HB SER 1 -10.209 -8.802 -18.665 6 HB3 SER 1 3HB SER 1 -10.051 -9.668 -20.192 7 HG SER 1 HG SER 1 -11.732 -7.459 -19.598 8 H HIS 2 H HIS 2 -11.211 -11.692 -21.030 9 HA HIS 2 HA HIS 2 -13.207 -11.076 -22.942 10 HB2 HIS 2 2HB HIS 2 -10.959 -12.099 -23.459 11 HB3 HIS 2 3HB HIS 2 -11.519 -13.617 -22.762 12 HD1 HIS 2 HD1 HIS 2 -12.056 -15.190 -24.578 13 HD2 HIS 2 HD2 HIS 2 -13.092 -11.303 -25.603 14 HE1 HIS 2 HE1 HIS 2 -13.032 -15.349 -26.881 15 HE2 HIS 2 HE2 HIS 2 -13.535 -12.970 -27.527 16 H MET 3 H MET 3 -12.873 -13.848 -20.725 17 HA MET 3 HA MET 3 -15.788 -14.375 -20.867 18 HB2 MET 3 2HB MET 3 -13.454 -16.048 -19.844 19 HB3 MET 3 3HB MET 3 -15.121 -16.449 -19.455 20 HG2 MET 3 2HG MET 3 -14.370 -17.818 -21.284 21 HG3 MET 3 3HG MET 3 -15.603 -16.701 -21.865 22 HE1 MET 3 3HE MET 3 -13.214 -17.151 -24.951 23 HE2 MET 3 1HE MET 3 -14.863 -17.321 -24.353 24 HE3 MET 3 2HE MET 3 -13.590 -18.385 -23.750 25 HA PRO 4 HA PRO 4 -16.228 -12.697 -16.600 26 HB2 PRO 4 2HB PRO 4 -18.402 -14.720 -16.226 27 HB3 PRO 4 3HB PRO 4 -18.478 -12.956 -16.106 28 HG2 PRO 4 2HG PRO 4 -19.583 -14.253 -18.185 29 HG3 PRO 4 3HG PRO 4 -18.784 -12.681 -18.410 30 HD2 PRO 4 2HD PRO 4 -17.711 -15.453 -18.989 31 HD3 PRO 4 3HD PRO 4 -17.622 -13.979 -19.984 32 H ASP 5 H ASP 5 -16.080 -13.464 -14.361 33 HA ASP 5 HA ASP 5 -15.148 -14.581 -12.648 34 HB2 ASP 5 2HB ASP 5 -16.008 -17.044 -14.218 35 HB3 ASP 5 3HB ASP 5 -15.463 -17.075 -12.541 36 H SER 6 H SER 6 -13.353 -13.636 -14.529 37 HA SER 6 HA SER 6 -11.244 -15.461 -15.115 38 HB2 SER 6 2HB SER 6 -9.854 -13.392 -15.443 39 HB3 SER 6 3HB SER 6 -11.387 -13.336 -16.308 40 HG SER 6 HG SER 6 -11.152 -12.203 -13.723 41 H PHE 7 H PHE 7 -9.204 -15.731 -14.062 42 HA PHE 7 HA PHE 7 -9.388 -16.181 -11.273 43 HB2 PHE 7 2HB PHE 7 -8.007 -17.589 -12.749 44 HB3 PHE 7 3HB PHE 7 -6.944 -16.229 -13.100 45 HD1 PHE 7 HD1 PHE 7 -8.209 -18.246 -10.174 46 HD2 PHE 7 HD2 PHE 7 -4.952 -16.025 -11.838 47 HE1 PHE 7 HE1 PHE 7 -6.783 -18.898 -8.272 48 HE2 PHE 7 HE2 PHE 7 -3.539 -16.684 -9.936 49 HZ PHE 7 HZ PHE 7 -4.450 -18.118 -8.155 50 H GLY 8 H GLY 8 -9.733 -14.354 -10.066 51 HA2 GLY 8 2HA GLY 8 -7.926 -12.039 -10.171 52 HA3 GLY 8 3HA GLY 8 -9.394 -12.196 -9.216 53 H ILE 9 H ILE 9 -8.803 -11.902 -7.122 54 HA ILE 9 HA ILE 9 -6.201 -12.724 -6.118 55 HB ILE 9 HB ILE 9 -8.497 -11.286 -4.692 56 HG12 ILE 9 2HG1 ILE 9 -6.775 -9.331 -4.705 57 HG13 ILE 9 3HG1 ILE 9 -5.881 -10.262 -5.897 58 HG21 ILE 9 1HG2 ILE 9 -5.707 -11.890 -3.622 59 HG22 ILE 9 2HG2 ILE 9 -7.228 -12.560 -3.029 60 HG23 ILE 9 3HG2 ILE 9 -6.894 -10.841 -2.839 61 HD11 ILE 9 3HD1 ILE 9 -8.683 -9.178 -6.204 62 HD12 ILE 9 1HD1 ILE 9 -7.815 -10.132 -7.410 63 HD13 ILE 9 2HD1 ILE 9 -7.212 -8.543 -6.942 64 H ARG 10 H ARG 10 -6.146 -14.952 -5.992 65 HA ARG 10 HA ARG 10 -8.084 -16.500 -4.471 66 HB2 ARG 10 2HB ARG 10 -6.846 -17.517 -6.356 67 HB3 ARG 10 3HB ARG 10 -5.318 -17.216 -5.536 68 HG2 ARG 10 2HG ARG 10 -6.091 -18.757 -3.686 69 HG3 ARG 10 3HG ARG 10 -7.503 -19.147 -4.674 70 HD2 ARG 10 2HD ARG 10 -5.766 -20.861 -4.922 71 HD3 ARG 10 3HD ARG 10 -6.019 -20.013 -6.453 72 HE ARG 10 HE ARG 10 -3.841 -19.076 -4.725 73 HH11 ARG 10 1HH1 ARG 10 -4.707 -20.884 -7.545 74 HH12 ARG 10 2HH1 ARG 10 -3.100 -20.855 -8.173 75 HH21 ARG 10 1HH2 ARG 10 -1.807 -19.054 -5.570 76 HH22 ARG 10 2HH2 ARG 10 -1.488 -19.853 -7.068 77 H ALA 11 H ALA 11 -4.677 -15.539 -4.050 78 HA ALA 11 HA ALA 11 -5.033 -15.024 -1.201 79 HB1 ALA 11 3HB ALA 11 -3.156 -16.479 -0.513 80 HB2 ALA 11 1HB ALA 11 -2.980 -17.060 -2.172 81 HB3 ALA 11 2HB ALA 11 -4.440 -17.433 -1.255 82 H LYS 12 H LYS 12 -4.501 -13.473 -3.609 83 HA LYS 12 HA LYS 12 -1.705 -12.733 -3.755 84 HB2 LYS 12 2HB LYS 12 -4.186 -11.547 -5.075 85 HB3 LYS 12 3HB LYS 12 -2.528 -11.073 -5.459 86 HG2 LYS 12 2HG LYS 12 -2.037 -13.351 -6.244 87 HG3 LYS 12 3HG LYS 12 -3.665 -13.870 -5.794 88 HD2 LYS 12 2HD LYS 12 -4.633 -12.358 -7.483 89 HD3 LYS 12 3HD LYS 12 -3.019 -11.778 -7.913 90 HE2 LYS 12 2HE LYS 12 -2.400 -13.994 -8.734 91 HE3 LYS 12 3HE LYS 12 -3.938 -14.667 -8.186 92 HZ1 LYS 12 3HZ LYS 12 -5.083 -13.287 -9.777 93 HZ2 LYS 12 1HZ LYS 12 -3.911 -14.214 -10.566 94 HZ3 LYS 12 2HZ LYS 12 -3.629 -12.575 -10.264 95 H LYS 13 H LYS 13 -0.841 -11.583 -2.154 96 HA LYS 13 HA LYS 13 -0.395 -10.132 -0.505 97 HB2 LYS 13 2HB LYS 13 -2.586 -8.461 -1.780 98 HB3 LYS 13 3HB LYS 13 -1.622 -7.893 -0.419 99 HG2 LYS 13 2HG LYS 13 0.388 -7.898 -1.722 100 HG3 LYS 13 3HG LYS 13 -0.382 -8.775 -3.044 101 HD2 LYS 13 2HD LYS 13 -1.374 -6.020 -2.222 102 HD3 LYS 13 3HD LYS 13 0.014 -6.198 -3.293 103 HE2 LYS 13 2HE LYS 13 -2.052 -5.843 -4.574 104 HE3 LYS 13 3HE LYS 13 -1.361 -7.422 -4.914 105 HZ1 LYS 13 3HZ LYS 13 -3.768 -7.491 -4.663 106 HZ2 LYS 13 1HZ LYS 13 -3.637 -6.914 -3.081 107 HZ3 LYS 13 2HZ LYS 13 -3.004 -8.427 -3.480 108 H THR 14 H THR 14 -0.742 -10.686 1.521 109 HA THR 14 HA THR 14 -3.163 -11.894 2.451 110 HB THR 14 HB THR 14 -2.008 -12.219 4.570 111 HG1 THR 14 HG1 THR 14 0.132 -11.202 4.832 112 HG21 THR 14 3HG2 THR 14 -1.207 -13.663 2.729 113 HG22 THR 14 1HG2 THR 14 0.089 -13.294 3.864 114 HG23 THR 14 2HG2 THR 14 0.015 -12.455 2.313 115 H LYS 15 H LYS 15 -4.370 -11.178 4.438 116 HA LYS 15 HA LYS 15 -5.219 -8.465 4.380 117 HB2 LYS 15 2HB LYS 15 -5.642 -10.597 6.510 118 HB3 LYS 15 3HB LYS 15 -6.456 -9.031 6.506 119 HG2 LYS 15 2HG LYS 15 -7.553 -9.571 4.381 120 HG3 LYS 15 3HG LYS 15 -6.694 -11.113 4.307 121 HD2 LYS 15 2HD LYS 15 -7.848 -11.830 6.402 122 HD3 LYS 15 3HD LYS 15 -8.739 -10.304 6.418 123 HE2 LYS 15 2HE LYS 15 -10.123 -12.103 5.486 124 HE3 LYS 15 3HE LYS 15 -9.772 -10.901 4.246 125 HZ1 LYS 15 3HZ LYS 15 -8.048 -12.354 3.374 126 HZ2 LYS 15 1HZ LYS 15 -9.539 -13.147 3.401 127 HZ3 LYS 15 2HZ LYS 15 -8.372 -13.503 4.568 128 H GLU 16 H GLU 16 -2.622 -9.998 6.123 129 HA GLU 16 HA GLU 16 -2.052 -8.077 8.138 130 HB2 GLU 16 2HB GLU 16 -0.081 -9.757 6.516 131 HB3 GLU 16 3HB GLU 16 0.241 -9.016 8.085 132 HG2 GLU 16 2HG GLU 16 -1.343 -10.511 9.167 133 HG3 GLU 16 3HG GLU 16 -1.847 -11.172 7.607 134 H GLN 17 H GLN 17 -0.866 -8.416 4.818 135 HA GLN 17 HA GLN 17 0.704 -6.024 4.732 136 HB2 GLN 17 2HB GLN 17 -0.409 -7.734 2.460 137 HB3 GLN 17 3HB GLN 17 0.894 -6.550 2.320 138 HG2 GLN 17 2HG GLN 17 2.352 -7.881 3.706 139 HG3 GLN 17 3HG GLN 17 1.046 -8.996 4.110 140 HE21 GLN 17 1HE2 GLN 17 3.645 -9.555 2.880 141 HE22 GLN 17 2HE2 GLN 17 3.303 -10.308 1.368 142 H LEU 18 H LEU 18 -2.462 -6.916 3.449 143 HA LEU 18 HA LEU 18 -3.269 -4.610 2.129 144 HB2 LEU 18 2HB LEU 18 -4.291 -7.025 2.294 145 HB3 LEU 18 3HB LEU 18 -5.194 -6.400 3.654 146 HG LEU 18 HG LEU 18 -5.386 -5.303 0.809 147 HD11 LEU 18 1HD1 LEU 18 -7.262 -7.236 2.220 148 HD12 LEU 18 2HD1 LEU 18 -6.178 -7.617 0.880 149 HD13 LEU 18 3HD1 LEU 18 -7.521 -6.508 0.628 150 HD21 LEU 18 3HD2 LEU 18 -7.464 -4.200 1.566 151 HD22 LEU 18 1HD2 LEU 18 -6.056 -3.626 2.457 152 HD23 LEU 18 2HD2 LEU 18 -7.169 -4.767 3.214 153 H ALA 19 H ALA 19 -3.532 -5.454 5.573 154 HA ALA 19 HA ALA 19 -5.079 -3.320 6.537 155 HB1 ALA 19 3HB ALA 19 -4.109 -3.841 8.735 156 HB2 ALA 19 1HB ALA 19 -2.837 -4.795 7.959 157 HB3 ALA 19 2HB ALA 19 -4.519 -5.319 7.864 158 H GLU 20 H GLU 20 -1.509 -3.579 6.335 159 HA GLU 20 HA GLU 20 -0.855 -1.000 7.294 160 HB2 GLU 20 2HB GLU 20 0.734 -2.694 5.317 161 HB3 GLU 20 3HB GLU 20 1.365 -1.363 6.288 162 HG2 GLU 20 2HG GLU 20 0.354 -4.038 7.297 163 HG3 GLU 20 3HG GLU 20 2.030 -3.489 7.243 164 H LEU 21 H LEU 21 -1.493 -2.187 4.039 165 HA LEU 21 HA LEU 21 -0.830 0.168 2.590 166 HB2 LEU 21 2HB LEU 21 -2.675 -2.136 1.856 167 HB3 LEU 21 3HB LEU 21 -2.055 -0.940 0.727 168 HG LEU 21 HG LEU 21 -0.315 -2.898 2.281 169 HD11 LEU 21 1HD1 LEU 21 -1.140 -3.054 -0.630 170 HD12 LEU 21 2HD1 LEU 21 -1.732 -4.089 0.671 171 HD13 LEU 21 3HD1 LEU 21 -0.031 -4.147 0.208 172 HD21 LEU 21 3HD2 LEU 21 0.887 -0.839 1.710 173 HD22 LEU 21 1HD2 LEU 21 0.431 -1.021 0.012 174 HD23 LEU 21 2HD2 LEU 21 1.498 -2.201 0.777 175 H LYS 22 H LYS 22 -3.875 -1.016 4.029 176 HA LYS 22 HA LYS 22 -5.591 1.048 3.058 177 HB2 LYS 22 2HB LYS 22 -5.850 -1.059 5.203 178 HB3 LYS 22 3HB LYS 22 -6.978 0.290 5.259 179 HG2 LYS 22 2HG LYS 22 -6.599 -1.618 2.928 180 HG3 LYS 22 3HG LYS 22 -7.951 -1.613 4.068 181 HD2 LYS 22 2HD LYS 22 -8.535 0.713 3.269 182 HD3 LYS 22 3HD LYS 22 -7.247 0.587 2.067 183 HE2 LYS 22 2HE LYS 22 -9.368 0.105 1.005 184 HE3 LYS 22 3HE LYS 22 -8.438 -1.393 1.081 185 HZ1 LYS 22 3HZ LYS 22 -9.719 -2.028 3.029 186 HZ2 LYS 22 1HZ LYS 22 -10.731 -1.746 1.705 187 HZ3 LYS 22 2HZ LYS 22 -10.612 -0.597 2.940 188 H VAL 23 H VAL 23 -3.804 0.683 6.118 189 HA VAL 23 HA VAL 23 -4.595 3.053 7.392 190 HB VAL 23 HB VAL 23 -1.928 1.569 7.611 191 HG11 VAL 23 1HG1 VAL 23 -1.630 3.864 8.451 192 HG12 VAL 23 2HG1 VAL 23 -1.630 2.733 9.803 193 HG13 VAL 23 3HG1 VAL 23 -3.063 3.709 9.469 194 HG21 VAL 23 3HG2 VAL 23 -4.424 1.433 9.360 195 HG22 VAL 23 1HG2 VAL 23 -2.917 0.559 9.656 196 HG23 VAL 23 2HG2 VAL 23 -3.887 0.192 8.231 197 H SER 24 H SER 24 -1.973 2.480 5.051 198 HA SER 24 HA SER 24 -0.975 5.178 4.997 199 HB2 SER 24 2HB SER 24 0.426 3.246 4.316 200 HB3 SER 24 3HB SER 24 -0.631 2.956 2.936 201 HG SER 24 HG SER 24 1.467 4.519 3.018 202 H TYR 25 H TYR 25 -3.469 3.449 3.188 203 HA TYR 25 HA TYR 25 -3.801 5.271 1.011 204 HB2 TYR 25 2HB TYR 25 -4.525 2.886 0.962 205 HB3 TYR 25 3HB TYR 25 -5.787 3.241 2.132 206 HD1 TYR 25 HD1 TYR 25 -4.615 4.168 -1.322 207 HD2 TYR 25 HD2 TYR 25 -7.951 3.896 1.341 208 HE1 TYR 25 HE1 TYR 25 -6.141 4.680 -3.182 209 HE2 TYR 25 HE2 TYR 25 -9.472 4.394 -0.527 210 HH TYR 25 HH TYR 25 -8.671 4.127 -3.670 211 H LEU 26 H LEU 26 -5.445 4.922 4.130 212 HA LEU 26 HA LEU 26 -7.419 6.954 3.777 213 HB2 LEU 26 2HB LEU 26 -6.282 5.736 6.321 214 HB3 LEU 26 3HB LEU 26 -7.712 6.757 6.259 215 HG LEU 26 HG LEU 26 -7.444 4.014 4.948 216 HD11 LEU 26 1HD1 LEU 26 -8.996 4.816 7.430 217 HD12 LEU 26 2HD1 LEU 26 -7.547 3.808 7.372 218 HD13 LEU 26 3HD1 LEU 26 -9.046 3.234 6.645 219 HD21 LEU 26 3HD2 LEU 26 -9.862 5.853 5.086 220 HD22 LEU 26 1HD2 LEU 26 -9.860 4.199 4.468 221 HD23 LEU 26 2HD2 LEU 26 -8.933 5.447 3.640 222 H LYS 27 H LYS 27 -4.065 7.031 4.774 223 HA LYS 27 HA LYS 27 -4.041 9.790 5.681 224 HB2 LYS 27 2HB LYS 27 -1.744 7.977 4.805 225 HB3 LYS 27 3HB LYS 27 -1.557 9.543 5.596 226 HG2 LYS 27 2HG LYS 27 -2.577 8.680 7.635 227 HG3 LYS 27 3HG LYS 27 -2.927 7.141 6.841 228 HD2 LYS 27 2HD LYS 27 -0.478 6.760 6.559 229 HD3 LYS 27 3HD LYS 27 -0.161 8.270 7.423 230 HE2 LYS 27 2HE LYS 27 -1.284 7.342 9.426 231 HE3 LYS 27 3HE LYS 27 -1.578 5.832 8.559 232 HZ1 LYS 27 3HZ LYS 27 0.826 5.572 8.343 233 HZ2 LYS 27 1HZ LYS 27 0.347 5.646 9.962 234 HZ3 LYS 27 2HZ LYS 27 1.069 6.986 9.233 235 H ASN 28 H ASN 28 -3.097 8.031 2.733 236 HA ASN 28 HA ASN 28 -3.306 10.314 0.980 237 HB2 ASN 28 2HB ASN 28 -1.080 10.678 2.122 238 HB3 ASN 28 3HB ASN 28 -0.542 9.119 1.505 239 HD21 ASN 28 1HD2 ASN 28 1.153 10.084 0.378 240 HD22 ASN 28 2HD2 ASN 28 0.909 11.017 -1.049 241 H GLN 29 H GLN 29 -4.129 9.452 -0.841 242 HA GLN 29 HA GLN 29 -4.292 6.636 -1.327 243 HB2 GLN 29 2HB GLN 29 -5.114 8.957 -3.121 244 HB3 GLN 29 3HB GLN 29 -5.484 7.276 -3.438 245 HG2 GLN 29 2HG GLN 29 -7.443 8.299 -2.558 246 HG3 GLN 29 3HG GLN 29 -6.812 7.201 -1.337 247 HE21 GLN 29 1HE2 GLN 29 -5.588 10.480 -1.953 248 HE22 GLN 29 2HE2 GLN 29 -6.111 11.132 -0.445 249 H PHE 30 H PHE 30 -2.264 9.196 -2.558 250 HA PHE 30 HA PHE 30 -0.782 7.324 -4.330 251 HB2 PHE 30 2HB PHE 30 -1.012 10.368 -4.540 252 HB3 PHE 30 3HB PHE 30 -0.044 9.350 -5.599 253 HD1 PHE 30 HD1 PHE 30 -3.495 10.403 -4.742 254 HD2 PHE 30 HD2 PHE 30 -1.098 8.012 -7.360 255 HE1 PHE 30 HE1 PHE 30 -5.400 10.167 -6.280 256 HE2 PHE 30 HE2 PHE 30 -3.011 7.783 -8.888 257 HZ PHE 30 HZ PHE 30 -5.158 8.857 -8.354 258 HA PRO 31 HA PRO 31 1.898 8.455 -0.677 259 HB2 PRO 31 2HB PRO 31 3.035 5.735 -0.800 260 HB3 PRO 31 3HB PRO 31 2.102 6.494 0.495 261 HG2 PRO 31 2HG PRO 31 1.122 4.470 -1.062 262 HG3 PRO 31 3HG PRO 31 0.091 5.705 -0.310 263 HD2 PRO 31 2HD PRO 31 1.088 5.543 -3.160 264 HD3 PRO 31 3HD PRO 31 -0.528 5.975 -2.553 265 H HIS 32 H HIS 32 3.911 9.273 -0.730 266 HA HIS 32 HA HIS 32 5.580 9.253 -3.035 267 HB2 HIS 32 2HB HIS 32 6.329 10.019 -0.172 268 HB3 HIS 32 3HB HIS 32 7.221 10.453 -1.631 269 HD2 HIS 32 HD2 HIS 32 6.100 12.528 -3.167 270 HE1 HIS 32 HE1 HIS 32 3.146 13.491 -0.293 271 HE2 HIS 32 HE2 HIS 32 4.150 14.115 -2.533 272 H ASP 33 H ASP 33 7.730 8.345 -3.229 273 HA ASP 33 HA ASP 33 7.901 5.608 -2.758 274 HB2 ASP 33 2HB ASP 33 10.116 7.595 -3.377 275 HB3 ASP 33 3HB ASP 33 10.320 5.844 -3.432 276 H SER 34 H SER 34 9.201 8.243 -0.757 277 HA SER 34 HA SER 34 10.803 6.836 1.061 278 HB2 SER 34 2HB SER 34 9.007 9.234 1.633 279 HB3 SER 34 3HB SER 34 10.363 8.717 2.633 280 HG SER 34 HG SER 34 10.804 10.460 1.090 281 H GLU 35 H GLU 35 7.272 7.466 1.236 282 HA GLU 35 HA GLU 35 6.737 6.034 3.644 283 HB2 GLU 35 2HB GLU 35 5.139 7.694 2.789 284 HB3 GLU 35 3HB GLU 35 4.898 6.763 1.318 285 HG2 GLU 35 2HG GLU 35 2.987 6.525 2.842 286 HG3 GLU 35 3HG GLU 35 3.792 4.979 2.582 287 H ILE 36 H ILE 36 6.814 5.083 0.247 288 HA ILE 36 HA ILE 36 5.640 2.502 0.551 289 HB ILE 36 HB ILE 36 7.367 3.646 -1.685 290 HG12 ILE 36 2HG1 ILE 36 4.331 3.331 -1.457 291 HG13 ILE 36 3HG1 ILE 36 5.207 4.843 -1.249 292 HG21 ILE 36 1HG2 ILE 36 6.483 1.827 -3.128 293 HG22 ILE 36 2HG2 ILE 36 5.711 1.091 -1.724 294 HG23 ILE 36 3HG2 ILE 36 7.471 1.194 -1.809 295 HD11 ILE 36 3HD1 ILE 36 4.138 4.705 -3.415 296 HD12 ILE 36 1HD1 ILE 36 5.040 3.238 -3.797 297 HD13 ILE 36 2HD1 ILE 36 5.892 4.771 -3.586 298 H ILE 37 H ILE 37 9.058 3.601 0.634 299 HA ILE 37 HA ILE 37 10.336 1.067 0.795 300 HB ILE 37 HB ILE 37 11.247 3.629 2.198 301 HG12 ILE 37 2HG1 ILE 37 10.972 4.065 -0.219 302 HG13 ILE 37 3HG1 ILE 37 12.668 4.103 0.219 303 HG21 ILE 37 1HG2 ILE 37 12.861 1.165 1.421 304 HG22 ILE 37 2HG2 ILE 37 12.428 1.661 3.057 305 HG23 ILE 37 3HG2 ILE 37 13.534 2.649 2.104 306 HD11 ILE 37 3HD1 ILE 37 12.346 3.035 -1.916 307 HD12 ILE 37 1HD1 ILE 37 11.231 1.868 -1.208 308 HD13 ILE 37 2HD1 ILE 37 12.936 1.856 -0.747 309 H ARG 38 H ARG 38 9.058 3.224 3.280 310 HA ARG 38 HA ARG 38 9.526 1.766 5.630 311 HB2 ARG 38 2HB ARG 38 8.849 4.153 5.530 312 HB3 ARG 38 3HB ARG 38 7.263 3.689 4.937 313 HG2 ARG 38 2HG ARG 38 7.081 4.275 7.263 314 HG3 ARG 38 3HG ARG 38 6.817 2.539 7.107 315 HD2 ARG 38 2HD ARG 38 8.948 2.026 8.034 316 HD3 ARG 38 3HD ARG 38 9.531 3.681 7.825 317 HE ARG 38 HE ARG 38 7.270 3.582 9.556 318 HH11 ARG 38 1HH1 ARG 38 10.675 2.935 9.584 319 HH12 ARG 38 2HH1 ARG 38 10.832 3.361 11.249 320 HH21 ARG 38 1HH2 ARG 38 7.518 4.135 11.660 321 HH22 ARG 38 2HH2 ARG 38 9.073 4.032 12.406 322 H LEU 39 H LEU 39 6.755 1.679 3.378 323 HA LEU 39 HA LEU 39 5.169 -0.219 4.780 324 HB2 LEU 39 2HB LEU 39 5.181 0.604 1.856 325 HB3 LEU 39 3HB LEU 39 4.007 -0.519 2.526 326 HG LEU 39 HG LEU 39 4.330 2.379 3.414 327 HD11 LEU 39 1HD1 LEU 39 2.218 2.811 2.236 328 HD12 LEU 39 2HD1 LEU 39 2.192 1.148 1.639 329 HD13 LEU 39 3HD1 LEU 39 3.469 2.254 1.124 330 HD21 LEU 39 3HD2 LEU 39 3.495 0.954 5.231 331 HD22 LEU 39 1HD2 LEU 39 2.220 0.322 4.184 332 HD23 LEU 39 2HD2 LEU 39 2.223 2.025 4.652 333 H MET 40 H MET 40 7.708 -0.600 2.278 334 HA MET 40 HA MET 40 7.374 -3.373 1.777 335 HB2 MET 40 2HB MET 40 9.894 -1.678 1.535 336 HB3 MET 40 3HB MET 40 9.769 -3.337 0.962 337 HG2 MET 40 2HG MET 40 7.843 -2.528 -0.510 338 HG3 MET 40 3HG MET 40 8.353 -0.893 -0.103 339 HE1 MET 40 3HE MET 40 11.610 -1.484 0.050 340 HE2 MET 40 1HE MET 40 10.907 -0.017 -0.635 341 HE3 MET 40 2HE MET 40 12.061 -0.965 -1.572 342 H LYS 41 H LYS 41 9.095 -1.642 4.310 343 HA LYS 41 HA LYS 41 10.595 -3.754 5.456 344 HB2 LYS 41 2HB LYS 41 9.433 -1.238 6.730 345 HB3 LYS 41 3HB LYS 41 10.584 -2.302 7.539 346 HG2 LYS 41 2HG LYS 41 11.102 -0.734 4.987 347 HG3 LYS 41 3HG LYS 41 11.675 -0.306 6.604 348 HD2 LYS 41 2HD LYS 41 12.969 -2.450 6.669 349 HD3 LYS 41 3HD LYS 41 12.445 -2.792 5.018 350 HE2 LYS 41 2HE LYS 41 13.617 -0.758 4.232 351 HE3 LYS 41 3HE LYS 41 14.138 -0.419 5.887 352 HZ1 LYS 41 3HZ LYS 41 15.333 -2.517 5.894 353 HZ2 LYS 41 1HZ LYS 41 15.862 -1.522 4.632 354 HZ3 LYS 41 2HZ LYS 41 14.842 -2.830 4.306 355 H ILE 42 H ILE 42 7.216 -2.821 5.864 356 HA ILE 42 HA ILE 42 6.853 -4.607 8.184 357 HB ILE 42 HB ILE 42 4.822 -2.668 6.983 358 HG12 ILE 42 2HG1 ILE 42 6.806 -1.385 7.691 359 HG13 ILE 42 3HG1 ILE 42 5.475 -1.080 8.800 360 HG21 ILE 42 1HG2 ILE 42 4.903 -4.024 9.712 361 HG22 ILE 42 2HG2 ILE 42 3.790 -4.394 8.393 362 HG23 ILE 42 3HG2 ILE 42 3.709 -2.827 9.197 363 HD11 ILE 42 3HD1 ILE 42 7.565 -1.289 9.992 364 HD12 ILE 42 1HD1 ILE 42 7.841 -2.893 9.314 365 HD13 ILE 42 2HD1 ILE 42 6.496 -2.620 10.428 366 H THR 43 H THR 43 5.307 -4.001 5.013 367 HA THR 43 HA THR 43 3.558 -6.250 5.060 368 HB THR 43 HB THR 43 3.072 -5.757 2.698 369 HG1 THR 43 HG1 THR 43 4.717 -3.566 2.436 370 HG21 THR 43 3HG2 THR 43 3.359 -3.177 4.293 371 HG22 THR 43 1HG2 THR 43 1.987 -4.288 4.371 372 HG23 THR 43 2HG2 THR 43 2.329 -3.409 2.880 373 H GLY 44 H GLY 44 6.807 -5.718 3.712 374 HA2 GLY 44 2HA GLY 44 8.400 -7.304 3.057 375 HA3 GLY 44 3HA GLY 44 7.197 -8.578 3.194 376 H LEU 45 H LEU 45 5.679 -6.273 1.445 377 HA LEU 45 HA LEU 45 6.004 -7.524 -1.128 378 HB2 LEU 45 2HB LEU 45 4.558 -4.978 -0.275 379 HB3 LEU 45 3HB LEU 45 4.437 -5.697 -1.875 380 HG LEU 45 HG LEU 45 3.517 -7.055 0.697 381 HD11 LEU 45 1HD1 LEU 45 1.220 -6.579 -0.066 382 HD12 LEU 45 2HD1 LEU 45 1.855 -5.654 -1.429 383 HD13 LEU 45 3HD1 LEU 45 2.128 -5.096 0.224 384 HD21 LEU 45 3HD2 LEU 45 3.125 -7.877 -2.211 385 HD22 LEU 45 1HD2 LEU 45 2.417 -8.684 -0.807 386 HD23 LEU 45 2HD2 LEU 45 4.164 -8.680 -1.031 387 H THR 46 H THR 46 6.494 -6.204 -3.112 388 HA THR 46 HA THR 46 8.861 -4.492 -2.755 389 HB THR 46 HB THR 46 9.229 -4.677 -5.134 390 HG1 THR 46 HG1 THR 46 7.599 -5.779 -6.463 391 HG21 THR 46 3HG2 THR 46 9.811 -6.734 -3.887 392 HG22 THR 46 1HG2 THR 46 9.281 -7.118 -5.527 393 HG23 THR 46 2HG2 THR 46 8.189 -7.374 -4.165 394 H LYS 47 H LYS 47 8.991 -2.458 -4.044 395 HA LYS 47 HA LYS 47 7.019 -0.561 -3.583 396 HB2 LYS 47 2HB LYS 47 9.355 0.009 -4.095 397 HB3 LYS 47 3HB LYS 47 9.180 -0.611 -5.732 398 HG2 LYS 47 2HG LYS 47 7.527 1.192 -6.217 399 HG3 LYS 47 3HG LYS 47 7.772 1.831 -4.588 400 HD2 LYS 47 2HD LYS 47 9.925 1.598 -6.734 401 HD3 LYS 47 3HD LYS 47 9.049 3.076 -6.327 402 HE2 LYS 47 2HE LYS 47 9.998 2.982 -4.025 403 HE3 LYS 47 3HE LYS 47 10.908 1.534 -4.472 404 HZ1 LYS 47 3HZ LYS 47 11.181 4.209 -5.726 405 HZ2 LYS 47 1HZ LYS 47 12.068 2.832 -6.142 406 HZ3 LYS 47 2HZ LYS 47 12.256 3.527 -4.614 407 H GLY 48 H GLY 48 7.479 -2.644 -6.391 408 HA2 GLY 48 2HA GLY 48 5.563 -1.538 -8.164 409 HA3 GLY 48 3HA GLY 48 6.220 -3.165 -8.226 410 H GLU 49 H GLU 49 5.328 -4.243 -5.812 411 HA GLU 49 HA GLU 49 2.642 -5.003 -6.390 412 HB2 GLU 49 2HB GLU 49 4.108 -5.367 -3.732 413 HB3 GLU 49 3HB GLU 49 2.677 -6.250 -4.261 414 HG2 GLU 49 2HG GLU 49 5.483 -6.441 -5.385 415 HG3 GLU 49 3HG GLU 49 4.607 -7.670 -4.478 416 H ILE 50 H ILE 50 4.034 -2.666 -4.169 417 HA ILE 50 HA ILE 50 1.670 -2.073 -2.675 418 HB ILE 50 HB ILE 50 4.341 -0.635 -2.966 419 HG12 ILE 50 2HG1 ILE 50 3.154 -2.284 -0.680 420 HG13 ILE 50 3HG1 ILE 50 4.361 -2.859 -1.825 421 HG21 ILE 50 1HG2 ILE 50 2.106 0.114 -1.043 422 HG22 ILE 50 2HG2 ILE 50 2.702 1.096 -2.382 423 HG23 ILE 50 3HG2 ILE 50 3.748 0.759 -1.004 424 HD11 ILE 50 3HD1 ILE 50 4.745 -0.655 0.199 425 HD12 ILE 50 1HD1 ILE 50 5.962 -1.237 -0.941 426 HD13 ILE 50 2HD1 ILE 50 5.345 -2.308 0.315 427 H LYS 51 H LYS 51 3.392 -0.090 -5.212 428 HA LYS 51 HA LYS 51 1.383 1.870 -5.472 429 HB2 LYS 51 2HB LYS 51 3.474 0.936 -7.458 430 HB3 LYS 51 3HB LYS 51 2.299 2.176 -7.888 431 HG2 LYS 51 2HG LYS 51 3.162 3.405 -5.744 432 HG3 LYS 51 3HG LYS 51 4.559 2.326 -5.886 433 HD2 LYS 51 2HD LYS 51 4.939 3.149 -8.203 434 HD3 LYS 51 3HD LYS 51 3.537 4.211 -8.060 435 HE2 LYS 51 2HE LYS 51 5.509 5.543 -7.734 436 HE3 LYS 51 3HE LYS 51 4.724 5.383 -6.164 437 HZ1 LYS 51 3HZ LYS 51 6.311 3.678 -5.575 438 HZ2 LYS 51 1HZ LYS 51 7.120 5.092 -6.038 439 HZ3 LYS 51 2HZ LYS 51 7.038 3.778 -7.099 440 H LYS 52 H LYS 52 1.653 -1.301 -7.015 441 HA LYS 52 HA LYS 52 -0.482 -1.102 -8.847 442 HB2 LYS 52 2HB LYS 52 1.160 -2.964 -8.889 443 HB3 LYS 52 3HB LYS 52 0.503 -3.587 -7.377 444 HG2 LYS 52 2HG LYS 52 -1.639 -4.063 -8.461 445 HG3 LYS 52 3HG LYS 52 -1.072 -3.325 -9.962 446 HD2 LYS 52 2HD LYS 52 0.657 -5.099 -10.160 447 HD3 LYS 52 3HD LYS 52 0.051 -5.841 -8.674 448 HE2 LYS 52 2HE LYS 52 -2.111 -6.273 -9.738 449 HE3 LYS 52 3HE LYS 52 -1.590 -5.437 -11.202 450 HZ1 LYS 52 3HZ LYS 52 -1.458 -7.848 -11.391 451 HZ2 LYS 52 1HZ LYS 52 -0.343 -7.897 -10.121 452 HZ3 LYS 52 2HZ LYS 52 0.055 -7.119 -11.568 453 H TRP 53 H TRP 53 -0.438 -2.187 -5.427 454 HA TRP 53 HA TRP 53 -3.157 -2.882 -5.194 455 HB2 TRP 53 2HB TRP 53 -1.448 -3.498 -3.488 456 HB3 TRP 53 3HB TRP 53 -1.330 -1.813 -2.991 457 HD1 TRP 53 HD1 TRP 53 -3.528 -4.917 -2.571 458 HE1 TRP 53 HE1 TRP 53 -5.310 -4.454 -0.782 459 HE3 TRP 53 HE3 TRP 53 -2.803 0.118 -1.939 460 HZ2 TRP 53 HZ2 TRP 53 -6.296 -2.263 0.688 461 HZ3 TRP 53 HZ3 TRP 53 -4.214 1.324 -0.333 462 HH2 TRP 53 HH2 TRP 53 -5.925 0.156 0.954 463 H PHE 54 H PHE 54 -1.536 0.259 -4.504 464 HA PHE 54 HA PHE 54 -3.819 1.617 -3.520 465 HB2 PHE 54 2HB PHE 54 -1.168 2.627 -4.597 466 HB3 PHE 54 3HB PHE 54 -2.437 3.753 -4.121 467 HD1 PHE 54 HD1 PHE 54 -0.068 1.202 -2.866 468 HD2 PHE 54 HD2 PHE 54 -3.008 4.090 -1.775 469 HE1 PHE 54 HE1 PHE 54 0.609 1.001 -0.516 470 HE2 PHE 54 HE2 PHE 54 -2.308 3.890 0.571 471 HZ PHE 54 HZ PHE 54 -0.513 2.346 1.205 472 H SER 55 H SER 55 -2.530 1.376 -6.832 473 HA SER 55 HA SER 55 -4.467 3.137 -8.014 474 HB2 SER 55 2HB SER 55 -3.702 2.127 -10.197 475 HB3 SER 55 3HB SER 55 -2.395 2.756 -9.196 476 HG SER 55 HG SER 55 -1.779 0.730 -8.692 477 H ASP 56 H ASP 56 -4.359 -0.413 -7.570 478 HA ASP 56 HA ASP 56 -6.852 -0.999 -8.818 479 HB2 ASP 56 2HB ASP 56 -5.149 -2.512 -6.817 480 HB3 ASP 56 3HB ASP 56 -6.730 -3.132 -7.283 481 H THR 57 H THR 57 -6.069 0.178 -5.605 482 HA THR 57 HA THR 57 -8.768 -0.208 -4.570 483 HB THR 57 HB THR 57 -6.467 1.318 -3.266 484 HG1 THR 57 HG1 THR 57 -5.756 -0.709 -3.188 485 HG21 THR 57 3HG2 THR 57 -8.660 1.923 -2.287 486 HG22 THR 57 1HG2 THR 57 -7.709 0.961 -1.154 487 HG23 THR 57 2HG2 THR 57 -9.036 0.215 -2.049 488 H ARG 58 H ARG 58 -6.878 2.429 -6.021 489 HA ARG 58 HA ARG 58 -8.755 4.542 -5.794 490 HB2 ARG 58 2HB ARG 58 -6.721 3.843 -7.941 491 HB3 ARG 58 3HB ARG 58 -7.739 5.267 -8.091 492 HG2 ARG 58 2HG ARG 58 -5.930 4.834 -5.691 493 HG3 ARG 58 3HG ARG 58 -5.352 5.581 -7.182 494 HD2 ARG 58 2HD ARG 58 -5.939 7.340 -5.643 495 HD3 ARG 58 3HD ARG 58 -7.135 7.330 -6.940 496 HE ARG 58 HE ARG 58 -7.740 5.974 -4.398 497 HH11 ARG 58 1HH1 ARG 58 -8.470 8.556 -6.589 498 HH12 ARG 58 2HH1 ARG 58 -9.901 9.006 -5.733 499 HH21 ARG 58 1HH2 ARG 58 -9.588 6.569 -3.341 500 HH22 ARG 58 2HH2 ARG 58 -10.523 7.900 -3.931 501 H TYR 59 H TYR 59 -8.506 1.830 -8.050 502 HA TYR 59 HA TYR 59 -10.882 2.334 -9.541 503 HB2 TYR 59 2HB TYR 59 -9.163 0.895 -10.468 504 HB3 TYR 59 3HB TYR 59 -9.252 -0.196 -9.094 505 HD1 TYR 59 HD2 TYR 59 -11.160 1.002 -12.085 506 HD2 TYR 59 HD1 TYR 59 -10.825 -2.034 -9.086 507 HE1 TYR 59 HE2 TYR 59 -12.813 -0.375 -13.280 508 HE2 TYR 59 HE1 TYR 59 -12.481 -3.404 -10.285 509 HH TYR 59 HH TYR 59 -13.420 -2.790 -13.462 510 H ASN 60 H ASN 60 -10.198 0.295 -6.677 511 HA ASN 60 HA ASN 60 -12.605 -1.137 -6.574 512 HB2 ASN 60 2HB ASN 60 -10.546 -1.773 -5.334 513 HB3 ASN 60 3HB ASN 60 -10.775 -0.419 -4.239 514 HD21 ASN 60 1HD2 ASN 60 -12.405 -0.565 -2.641 515 HD22 ASN 60 2HD2 ASN 60 -13.183 -2.055 -2.261 516 H GLN 61 H GLN 61 -11.734 1.894 -4.901 517 HA GLN 61 HA GLN 61 -14.092 2.146 -3.341 518 HB2 GLN 61 2HB GLN 61 -12.143 4.322 -4.203 519 HB3 GLN 61 3HB GLN 61 -13.361 4.489 -2.942 520 HG2 GLN 61 2HG GLN 61 -10.931 2.679 -2.902 521 HG3 GLN 61 3HG GLN 61 -11.196 4.123 -1.929 522 HE21 GLN 61 1HE2 GLN 61 -12.714 4.011 -0.203 523 HE22 GLN 61 2HE2 GLN 61 -13.213 2.502 0.467 524 H ARG 62 H ARG 62 -13.203 3.549 -6.524 525 HA ARG 62 HA ARG 62 -15.695 4.979 -6.821 526 HB2 ARG 62 2HB ARG 62 -14.922 5.628 -9.008 527 HB3 ARG 62 3HB ARG 62 -13.547 5.698 -7.912 528 HG2 ARG 62 2HG ARG 62 -12.769 3.499 -8.797 529 HG3 ARG 62 3HG ARG 62 -14.110 3.511 -9.946 530 HD2 ARG 62 2HD ARG 62 -13.210 5.622 -10.915 531 HD3 ARG 62 3HD ARG 62 -11.841 5.530 -9.798 532 HE ARG 62 HE ARG 62 -12.411 3.467 -11.847 533 HH11 ARG 62 1HH1 ARG 62 -10.123 5.451 -10.193 534 HH12 ARG 62 2HH1 ARG 62 -8.777 4.799 -11.053 535 HH21 ARG 62 1HH2 ARG 62 -10.687 2.665 -12.952 536 HH22 ARG 62 2HH2 ARG 62 -9.096 3.242 -12.600 537 H ASN 63 H ASN 63 -14.587 1.771 -7.587 538 HA ASN 63 HA ASN 63 -16.792 1.080 -9.355 539 HB2 ASN 63 2HB ASN 63 -14.563 0.045 -9.678 540 HB3 ASN 63 3HB ASN 63 -14.655 -0.678 -8.079 541 HD21 ASN 63 1HD2 ASN 63 -17.245 -0.490 -10.512 542 HD22 ASN 63 2HD2 ASN 63 -17.373 -2.192 -10.747 543 H SER 64 H SER 64 -18.535 1.601 -8.013 544 HA SER 64 HA SER 64 -19.301 -0.467 -6.050 545 HB2 SER 64 2HB SER 64 -19.606 2.544 -5.578 546 HB3 SER 64 3HB SER 64 -20.251 1.275 -4.533 547 HG SER 64 HG SER 64 -17.646 0.812 -4.906 548 H LYS 65 H LYS 65 -21.040 -1.381 -6.968 549 HA LYS 65 HA LYS 65 -22.650 -0.229 -8.999 550 HB2 LYS 65 2HB LYS 65 -22.295 -2.695 -8.685 551 HB3 LYS 65 3HB LYS 65 -23.279 -2.630 -7.224 552 HG2 LYS 65 2HG LYS 65 -25.236 -1.936 -8.566 553 HG3 LYS 65 3HG LYS 65 -24.250 -1.985 -10.033 554 HD2 LYS 65 2HD LYS 65 -23.875 -4.422 -9.671 555 HD3 LYS 65 3HD LYS 65 -24.904 -4.355 -8.235 556 HE2 LYS 65 2HE LYS 65 -26.823 -3.698 -9.641 557 HE3 LYS 65 3HE LYS 65 -25.793 -3.735 -11.076 558 HZ1 LYS 65 3HZ LYS 65 -26.374 -6.060 -9.324 559 HZ2 LYS 65 1HZ LYS 65 -25.442 -6.083 -10.738 560 HZ3 LYS 65 2HZ LYS 65 -27.095 -5.753 -10.819 561 H SER 66 H SER 66 -24.301 1.180 -8.822 562 HA SER 66 HA SER 66 -25.080 2.193 -6.228 563 HB2 SER 66 2HB SER 66 -24.614 3.724 -8.142 564 HB3 SER 66 3HB SER 66 -26.017 3.081 -8.991 565 HG SER 66 HG SER 66 -26.309 5.097 -7.734 566 H ASN 67 H ASN 67 -26.122 0.163 -5.534 567 HA ASN 67 HA ASN 67 -28.909 -0.198 -6.384 568 HB2 ASN 67 2HB ASN 67 -27.218 -1.595 -4.262 569 HB3 ASN 67 3HB ASN 67 -28.927 -1.942 -4.515 570 HD21 ASN 67 1HD2 ASN 67 -28.518 -4.100 -5.068 571 HD22 ASN 67 2HD2 ASN 67 -27.769 -4.547 -6.557 572 H GLN 68 H GLN 68 -30.667 -0.004 -4.799 573 HA GLN 68 HA GLN 68 -30.551 2.510 -3.419 574 HB2 GLN 68 2HB GLN 68 -32.953 2.214 -2.972 575 HB3 GLN 68 3HB GLN 68 -32.564 1.954 -4.660 576 HG2 GLN 68 2HG GLN 68 -32.855 -0.429 -2.841 577 HG3 GLN 68 3HG GLN 68 -34.292 0.406 -3.401 578 HE21 GLN 68 1HE2 GLN 68 -35.002 -1.436 -4.488 579 HE22 GLN 68 2HE2 GLN 68 -34.278 -1.987 -5.954 580 H CYS 69 H CYS 69 -28.975 2.139 -1.828 581 HA CYS 69 HA CYS 69 -29.458 0.180 0.300 582 HB2 CYS 69 2HB CYS 69 -27.187 0.350 -0.596 583 HB3 CYS 69 3HB CYS 69 -27.112 2.057 -0.181 584 HG CYS 69 HG CYS 69 -25.565 1.102 1.754 585 H LEU 70 H LEU 70 -27.995 3.331 1.029 586 HA LEU 70 HA LEU 70 -30.377 4.182 2.572 587 HB2 LEU 70 2HB LEU 70 -27.467 4.269 3.452 588 HB3 LEU 70 3HB LEU 70 -28.651 5.367 4.130 589 HG LEU 70 HG LEU 70 -29.969 3.251 4.843 590 HD11 LEU 70 1HD1 LEU 70 -28.807 1.584 3.496 591 HD12 LEU 70 2HD1 LEU 70 -28.687 1.204 5.211 592 HD13 LEU 70 3HD1 LEU 70 -27.303 1.899 4.364 593 HD21 LEU 70 3HD2 LEU 70 -28.706 3.035 6.931 594 HD22 LEU 70 1HD2 LEU 70 -28.828 4.725 6.443 595 HD23 LEU 70 2HD2 LEU 70 -27.316 3.843 6.203 596 H HIS 71 H HIS 71 -30.529 6.495 2.923 597 HA HIS 71 HA HIS 71 -29.365 8.189 0.807 598 HB2 HIS 71 2HB HIS 71 -31.551 8.821 2.850 599 HB3 HIS 71 3HB HIS 71 -31.061 9.857 1.510 600 HD1 HIS 71 HD1 HIS 71 -33.531 7.386 2.371 601 HD2 HIS 71 HD2 HIS 71 -31.542 8.470 -1.121 602 HE1 HIS 71 HE1 HIS 71 -34.893 6.427 0.495 603 HE2 HIS 71 HE2 HIS 71 -33.728 7.168 -1.601 604 H LEU 72 H LEU 72 -28.784 7.324 4.023 605 HA LEU 72 HA LEU 72 -27.781 9.821 5.064 606 HB2 LEU 72 2HB LEU 72 -28.871 8.046 6.452 607 HB3 LEU 72 3HB LEU 72 -27.519 6.977 6.147 608 HG LEU 72 HG LEU 72 -27.043 9.647 7.532 609 HD11 LEU 72 1HD1 LEU 72 -28.891 8.641 8.783 610 HD12 LEU 72 2HD1 LEU 72 -27.411 8.632 9.735 611 HD13 LEU 72 3HD1 LEU 72 -27.977 7.142 8.975 612 HD21 LEU 72 3HD2 LEU 72 -25.606 6.972 7.790 613 HD22 LEU 72 1HD2 LEU 72 -25.184 8.461 8.645 614 HD23 LEU 72 2HD2 LEU 72 -25.033 8.380 6.893 615 H ASN 73 H ASN 73 -25.712 10.531 5.129 616 HA ASN 73 HA ASN 73 -23.424 8.763 4.728 617 HB2 ASN 73 2HB ASN 73 -22.380 10.327 3.023 618 HB3 ASN 73 3HB ASN 73 -23.772 9.430 2.424 619 HD21 ASN 73 1HD2 ASN 73 -22.569 12.583 3.319 620 HD22 ASN 73 2HD2 ASN 73 -23.873 13.486 2.636 621 H ASN 74 H ASN 74 -21.500 9.577 5.656 622 HA ASN 74 HA ASN 74 -21.941 11.288 7.926 623 HB2 ASN 74 2HB ASN 74 -19.320 10.055 6.978 624 HB3 ASN 74 3HB ASN 74 -19.631 10.735 8.575 625 HD21 ASN 74 1HD2 ASN 74 -18.762 8.073 7.985 626 HD22 ASN 74 2HD2 ASN 74 -19.966 7.002 8.596 Start of MODEL 19 1 H1 SER 1 1H SER 1 -14.508 -24.101 -19.618 2 H2 SER 1 2H SER 1 -13.224 -24.989 -18.973 3 H3 SER 1 3H SER 1 -13.916 -25.456 -20.442 4 HA SER 1 HA SER 1 -11.800 -24.371 -20.769 5 HB2 SER 1 2HB SER 1 -14.172 -22.736 -21.779 6 HB3 SER 1 3HB SER 1 -12.550 -22.736 -22.482 7 HG SER 1 HG SER 1 -13.148 -24.411 -23.579 8 H HIS 2 H HIS 2 -10.778 -23.577 -18.872 9 HA HIS 2 HA HIS 2 -11.405 -21.029 -17.688 10 HB2 HIS 2 2HB HIS 2 -8.925 -22.791 -17.595 11 HB3 HIS 2 3HB HIS 2 -9.027 -21.264 -16.729 12 HD1 HIS 2 HD1 HIS 2 -9.828 -24.821 -16.401 13 HD2 HIS 2 HD2 HIS 2 -11.081 -21.270 -14.642 14 HE1 HIS 2 HE1 HIS 2 -10.921 -25.488 -14.248 15 HE2 HIS 2 HE2 HIS 2 -11.438 -23.313 -13.101 16 H MET 3 H MET 3 -11.271 -19.173 -18.876 17 HA MET 3 HA MET 3 -9.183 -18.823 -20.929 18 HB2 MET 3 2HB MET 3 -11.525 -18.367 -21.597 19 HB3 MET 3 3HB MET 3 -11.657 -17.143 -20.341 20 HG2 MET 3 2HG MET 3 -9.885 -15.821 -21.484 21 HG3 MET 3 3HG MET 3 -9.831 -17.036 -22.759 22 HE1 MET 3 3HE MET 3 -13.106 -15.715 -20.903 23 HE2 MET 3 1HE MET 3 -13.525 -14.353 -21.943 24 HE3 MET 3 2HE MET 3 -12.050 -14.303 -20.975 25 HA PRO 4 HA PRO 4 -7.196 -16.133 -17.759 26 HB2 PRO 4 2HB PRO 4 -4.650 -16.421 -18.547 27 HB3 PRO 4 3HB PRO 4 -5.530 -17.794 -17.859 28 HG2 PRO 4 2HG PRO 4 -4.896 -17.195 -20.737 29 HG3 PRO 4 3HG PRO 4 -4.867 -18.751 -19.883 30 HD2 PRO 4 2HD PRO 4 -6.995 -17.785 -21.478 31 HD3 PRO 4 3HD PRO 4 -7.095 -19.135 -20.325 32 H ASP 5 H ASP 5 -8.594 -14.861 -19.910 33 HA ASP 5 HA ASP 5 -6.933 -13.243 -21.574 34 HB2 ASP 5 2HB ASP 5 -9.305 -13.957 -22.085 35 HB3 ASP 5 3HB ASP 5 -9.870 -12.805 -20.876 36 H SER 6 H SER 6 -8.969 -12.361 -18.756 37 HA SER 6 HA SER 6 -7.082 -10.181 -18.042 38 HB2 SER 6 2HB SER 6 -8.989 -8.737 -17.409 39 HB3 SER 6 3HB SER 6 -9.127 -9.196 -19.106 40 HG SER 6 HG SER 6 -10.736 -10.618 -18.598 41 H PHE 7 H PHE 7 -7.809 -13.060 -17.106 42 HA PHE 7 HA PHE 7 -8.770 -12.537 -14.347 43 HB2 PHE 7 2HB PHE 7 -8.953 -15.109 -15.988 44 HB3 PHE 7 3HB PHE 7 -9.668 -14.834 -14.400 45 HD1 PHE 7 HD2 PHE 7 -11.520 -13.094 -14.163 46 HD2 PHE 7 HD1 PHE 7 -10.116 -14.402 -17.987 47 HE1 PHE 7 HE2 PHE 7 -13.540 -12.174 -15.226 48 HE2 PHE 7 HE1 PHE 7 -12.138 -13.472 -19.042 49 HZ PHE 7 HZ PHE 7 -13.852 -12.359 -17.663 50 H GLY 8 H GLY 8 -5.910 -13.128 -15.902 51 HA2 GLY 8 2HA GLY 8 -4.687 -15.034 -14.072 52 HA3 GLY 8 3HA GLY 8 -3.879 -14.107 -15.329 53 H ILE 9 H ILE 9 -5.477 -13.625 -12.181 54 HA ILE 9 HA ILE 9 -4.036 -11.152 -11.658 55 HB ILE 9 HB ILE 9 -6.114 -12.603 -9.954 56 HG12 ILE 9 2HG1 ILE 9 -6.482 -10.226 -11.848 57 HG13 ILE 9 3HG1 ILE 9 -7.001 -11.873 -12.189 58 HG21 ILE 9 1HG2 ILE 9 -6.366 -10.449 -8.742 59 HG22 ILE 9 2HG2 ILE 9 -5.050 -9.761 -9.694 60 HG23 ILE 9 3HG2 ILE 9 -4.730 -11.094 -8.584 61 HD11 ILE 9 3HD1 ILE 9 -8.079 -10.073 -10.016 62 HD12 ILE 9 1HD1 ILE 9 -8.593 -11.738 -10.313 63 HD13 ILE 9 2HD1 ILE 9 -8.870 -10.496 -11.533 64 H ARG 10 H ARG 10 -2.210 -11.038 -10.530 65 HA ARG 10 HA ARG 10 -0.954 -13.257 -9.187 66 HB2 ARG 10 2HB ARG 10 -0.195 -10.302 -9.197 67 HB3 ARG 10 3HB ARG 10 0.839 -11.617 -8.657 68 HG2 ARG 10 2HG ARG 10 -0.201 -11.499 -11.500 69 HG3 ARG 10 3HG ARG 10 1.236 -10.604 -11.011 70 HD2 ARG 10 2HD ARG 10 1.917 -12.702 -12.014 71 HD3 ARG 10 3HD ARG 10 2.295 -12.746 -10.292 72 HE ARG 10 HE ARG 10 -0.229 -13.957 -11.108 73 HH11 ARG 10 1HH1 ARG 10 3.082 -14.548 -10.274 74 HH12 ARG 10 2HH1 ARG 10 2.809 -16.232 -10.016 75 HH21 ARG 10 1HH2 ARG 10 -0.531 -16.095 -10.761 76 HH22 ARG 10 2HH2 ARG 10 0.801 -17.095 -10.299 77 H ALA 11 H ALA 11 -2.596 -13.780 -7.598 78 HA ALA 11 HA ALA 11 -3.308 -11.813 -5.546 79 HB1 ALA 11 3HB ALA 11 -4.281 -14.668 -5.923 80 HB2 ALA 11 1HB ALA 11 -5.070 -13.217 -6.545 81 HB3 ALA 11 2HB ALA 11 -4.948 -13.476 -4.805 82 H LYS 12 H LYS 12 -1.023 -11.730 -4.765 83 HA LYS 12 HA LYS 12 -0.433 -13.826 -2.751 84 HB2 LYS 12 2HB LYS 12 1.410 -13.348 -4.364 85 HB3 LYS 12 3HB LYS 12 1.436 -11.666 -3.839 86 HG2 LYS 12 2HG LYS 12 2.106 -12.369 -1.570 87 HG3 LYS 12 3HG LYS 12 2.014 -14.062 -2.058 88 HD2 LYS 12 2HD LYS 12 3.870 -13.681 -3.672 89 HD3 LYS 12 3HD LYS 12 3.975 -11.997 -3.140 90 HE2 LYS 12 2HE LYS 12 4.556 -12.737 -0.864 91 HE3 LYS 12 3HE LYS 12 4.390 -14.423 -1.350 92 HZ1 LYS 12 3HZ LYS 12 6.220 -14.033 -2.938 93 HZ2 LYS 12 1HZ LYS 12 6.676 -13.852 -1.319 94 HZ3 LYS 12 2HZ LYS 12 6.425 -12.485 -2.286 95 H LYS 13 H LYS 13 -1.381 -10.504 -3.127 96 HA LYS 13 HA LYS 13 -0.461 -9.370 -0.726 97 HB2 LYS 13 2HB LYS 13 -2.870 -8.605 -2.416 98 HB3 LYS 13 3HB LYS 13 -2.186 -7.604 -1.137 99 HG2 LYS 13 2HG LYS 13 -0.039 -7.492 -2.405 100 HG3 LYS 13 3HG LYS 13 -0.781 -8.426 -3.711 101 HD2 LYS 13 2HD LYS 13 -2.420 -6.627 -4.094 102 HD3 LYS 13 3HD LYS 13 -1.767 -5.709 -2.734 103 HE2 LYS 13 2HE LYS 13 -0.923 -4.789 -4.825 104 HE3 LYS 13 3HE LYS 13 0.405 -5.531 -3.935 105 HZ1 LYS 13 3HZ LYS 13 -1.055 -6.776 -6.203 106 HZ2 LYS 13 1HZ LYS 13 0.240 -7.465 -5.359 107 HZ3 LYS 13 2HZ LYS 13 0.481 -6.073 -6.282 108 H THR 14 H THR 14 -0.843 -10.290 1.196 109 HA THR 14 HA THR 14 -3.248 -11.673 1.971 110 HB THR 14 HB THR 14 -2.208 -12.056 4.119 111 HG1 THR 14 HG1 THR 14 -0.121 -10.897 4.547 112 HG21 THR 14 3HG2 THR 14 -1.143 -13.346 2.326 113 HG22 THR 14 1HG2 THR 14 0.048 -12.897 3.548 114 HG23 THR 14 2HG2 THR 14 -0.014 -12.024 2.015 115 H LYS 15 H LYS 15 -4.317 -11.067 4.181 116 HA LYS 15 HA LYS 15 -5.361 -8.384 4.106 117 HB2 LYS 15 2HB LYS 15 -5.658 -10.507 6.271 118 HB3 LYS 15 3HB LYS 15 -6.645 -9.055 6.107 119 HG2 LYS 15 2HG LYS 15 -6.528 -11.361 4.128 120 HG3 LYS 15 3HG LYS 15 -7.818 -11.060 5.296 121 HD2 LYS 15 2HD LYS 15 -8.426 -8.983 4.158 122 HD3 LYS 15 3HD LYS 15 -7.062 -9.145 3.048 123 HE2 LYS 15 2HE LYS 15 -8.064 -11.169 2.080 124 HE3 LYS 15 3HE LYS 15 -9.395 -11.085 3.235 125 HZ1 LYS 15 3HZ LYS 15 -8.789 -9.005 1.210 126 HZ2 LYS 15 1HZ LYS 15 -10.120 -9.041 2.258 127 HZ3 LYS 15 2HZ LYS 15 -9.963 -10.208 1.044 128 H GLU 16 H GLU 16 -2.738 -9.933 5.811 129 HA GLU 16 HA GLU 16 -2.274 -7.984 7.850 130 HB2 GLU 16 2HB GLU 16 -0.243 -9.833 6.516 131 HB3 GLU 16 3HB GLU 16 -0.069 -9.047 8.084 132 HG2 GLU 16 2HG GLU 16 -2.109 -11.196 7.391 133 HG3 GLU 16 3HG GLU 16 -0.613 -11.442 8.293 134 H GLN 17 H GLN 17 -0.986 -8.463 4.581 135 HA GLN 17 HA GLN 17 0.671 -6.138 4.448 136 HB2 GLN 17 2HB GLN 17 -0.548 -7.843 2.224 137 HB3 GLN 17 3HB GLN 17 0.724 -6.641 1.991 138 HG2 GLN 17 2HG GLN 17 2.247 -7.943 3.409 139 HG3 GLN 17 3HG GLN 17 0.978 -9.125 3.720 140 HE21 GLN 17 1HE2 GLN 17 3.639 -9.486 2.490 141 HE22 GLN 17 2HE2 GLN 17 3.345 -10.194 0.948 142 H LEU 18 H LEU 18 -2.607 -6.866 3.358 143 HA LEU 18 HA LEU 18 -3.243 -4.486 1.992 144 HB2 LEU 18 2HB LEU 18 -4.416 -6.914 2.246 145 HB3 LEU 18 3HB LEU 18 -5.414 -6.048 3.383 146 HG LEU 18 HG LEU 18 -5.101 -5.311 0.441 147 HD11 LEU 18 1HD1 LEU 18 -7.379 -6.801 1.791 148 HD12 LEU 18 2HD1 LEU 18 -6.197 -7.494 0.679 149 HD13 LEU 18 3HD1 LEU 18 -7.334 -6.279 0.103 150 HD21 LEU 18 3HD2 LEU 18 -7.070 -3.884 0.762 151 HD22 LEU 18 1HD2 LEU 18 -5.746 -3.380 1.809 152 HD23 LEU 18 2HD2 LEU 18 -7.100 -4.289 2.482 153 H ALA 19 H ALA 19 -3.481 -5.365 5.408 154 HA ALA 19 HA ALA 19 -5.087 -3.286 6.414 155 HB1 ALA 19 3HB ALA 19 -4.098 -3.827 8.605 156 HB2 ALA 19 1HB ALA 19 -2.810 -4.739 7.810 157 HB3 ALA 19 2HB ALA 19 -4.479 -5.297 7.708 158 H GLU 20 H GLU 20 -1.517 -3.466 6.199 159 HA GLU 20 HA GLU 20 -0.969 -0.852 7.175 160 HB2 GLU 20 2HB GLU 20 0.747 -2.579 5.348 161 HB3 GLU 20 3HB GLU 20 1.306 -1.169 6.243 162 HG2 GLU 20 2HG GLU 20 0.366 -3.807 7.395 163 HG3 GLU 20 3HG GLU 20 2.016 -3.191 7.358 164 H LEU 21 H LEU 21 -1.455 -2.127 3.920 165 HA LEU 21 HA LEU 21 -0.839 0.191 2.425 166 HB2 LEU 21 2HB LEU 21 -2.668 -2.155 1.813 167 HB3 LEU 21 3HB LEU 21 -2.221 -0.936 0.632 168 HG LEU 21 HG LEU 21 -0.220 -2.766 2.023 169 HD11 LEU 21 1HD1 LEU 21 -1.355 -3.015 -0.780 170 HD12 LEU 21 2HD1 LEU 21 -1.689 -4.091 0.577 171 HD13 LEU 21 3HD1 LEU 21 -0.062 -4.001 -0.090 172 HD21 LEU 21 3HD2 LEU 21 0.147 -0.878 -0.329 173 HD22 LEU 21 1HD2 LEU 21 1.369 -1.979 0.317 174 HD23 LEU 21 2HD2 LEU 21 0.777 -0.646 1.304 175 H LYS 22 H LYS 22 -3.919 -0.923 3.877 176 HA LYS 22 HA LYS 22 -5.643 1.106 2.921 177 HB2 LYS 22 2HB LYS 22 -5.746 -0.654 5.391 178 HB3 LYS 22 3HB LYS 22 -6.962 0.591 5.136 179 HG2 LYS 22 2HG LYS 22 -7.585 -0.492 2.981 180 HG3 LYS 22 3HG LYS 22 -6.417 -1.778 3.312 181 HD2 LYS 22 2HD LYS 22 -7.655 -2.453 5.308 182 HD3 LYS 22 3HD LYS 22 -8.747 -1.078 5.147 183 HE2 LYS 22 2HE LYS 22 -8.543 -3.393 3.186 184 HE3 LYS 22 3HE LYS 22 -9.788 -3.199 4.416 185 HZ1 LYS 22 3HZ LYS 22 -10.558 -2.483 2.248 186 HZ2 LYS 22 1HZ LYS 22 -9.314 -1.342 2.143 187 HZ3 LYS 22 2HZ LYS 22 -10.516 -1.178 3.320 188 H VAL 23 H VAL 23 -3.760 0.912 5.955 189 HA VAL 23 HA VAL 23 -4.410 3.388 7.093 190 HB VAL 23 HB VAL 23 -1.780 1.845 7.277 191 HG11 VAL 23 1HG1 VAL 23 -1.398 4.164 8.005 192 HG12 VAL 23 2HG1 VAL 23 -1.349 3.080 9.393 193 HG13 VAL 23 3HG1 VAL 23 -2.779 4.076 9.103 194 HG21 VAL 23 3HG2 VAL 23 -2.683 0.948 9.398 195 HG22 VAL 23 1HG2 VAL 23 -3.727 0.538 8.035 196 HG23 VAL 23 2HG2 VAL 23 -4.188 1.834 9.139 197 H SER 24 H SER 24 -1.823 2.567 4.797 198 HA SER 24 HA SER 24 -0.632 5.159 4.618 199 HB2 SER 24 2HB SER 24 0.549 3.041 4.039 200 HB3 SER 24 3HB SER 24 -0.495 2.855 2.633 201 HG SER 24 HG SER 24 1.735 4.354 2.935 202 H TYR 25 H TYR 25 -3.248 3.576 2.846 203 HA TYR 25 HA TYR 25 -3.570 5.435 0.703 204 HB2 TYR 25 2HB TYR 25 -4.476 3.119 0.693 205 HB3 TYR 25 3HB TYR 25 -5.590 3.536 1.984 206 HD1 TYR 25 HD1 TYR 25 -4.753 4.343 -1.595 207 HD2 TYR 25 HD2 TYR 25 -7.768 4.364 1.439 208 HE1 TYR 25 HE1 TYR 25 -6.464 4.911 -3.283 209 HE2 TYR 25 HE2 TYR 25 -9.465 4.932 -0.258 210 HH TYR 25 HH TYR 25 -9.512 6.051 -2.512 211 H LEU 26 H LEU 26 -4.799 5.308 4.013 212 HA LEU 26 HA LEU 26 -6.621 7.483 3.912 213 HB2 LEU 26 2HB LEU 26 -5.007 6.519 6.300 214 HB3 LEU 26 3HB LEU 26 -6.428 7.549 6.373 215 HG LEU 26 HG LEU 26 -6.372 4.641 5.480 216 HD11 LEU 26 1HD1 LEU 26 -7.528 5.864 8.000 217 HD12 LEU 26 2HD1 LEU 26 -6.068 4.878 7.890 218 HD13 LEU 26 3HD1 LEU 26 -7.635 4.166 7.521 219 HD21 LEU 26 3HD2 LEU 26 -8.079 5.847 4.216 220 HD22 LEU 26 1HD2 LEU 26 -8.764 6.499 5.708 221 HD23 LEU 26 2HD2 LEU 26 -8.829 4.765 5.383 222 H LYS 27 H LYS 27 -3.076 7.397 4.532 223 HA LYS 27 HA LYS 27 -2.728 10.208 4.940 224 HB2 LYS 27 2HB LYS 27 -0.791 8.129 3.823 225 HB3 LYS 27 3HB LYS 27 -0.348 9.814 4.017 226 HG2 LYS 27 2HG LYS 27 0.584 8.795 5.884 227 HG3 LYS 27 3HG LYS 27 -0.905 9.501 6.518 228 HD2 LYS 27 2HD LYS 27 -1.975 7.372 6.643 229 HD3 LYS 27 3HD LYS 27 -0.760 6.612 5.613 230 HE2 LYS 27 2HE LYS 27 -0.227 7.678 8.407 231 HE3 LYS 27 3HE LYS 27 -0.524 5.985 8.010 232 HZ1 LYS 27 3HZ LYS 27 1.456 6.009 6.607 233 HZ2 LYS 27 1HZ LYS 27 1.833 6.435 8.199 234 HZ3 LYS 27 2HZ LYS 27 1.745 7.627 7.001 235 H ASN 28 H ASN 28 -2.276 8.172 2.047 236 HA ASN 28 HA ASN 28 -3.376 9.902 0.135 237 HB2 ASN 28 2HB ASN 28 -1.356 10.748 -1.027 238 HB3 ASN 28 3HB ASN 28 -1.477 11.392 0.599 239 HD21 ASN 28 1HD2 ASN 28 -0.352 8.593 1.543 240 HD22 ASN 28 2HD2 ASN 28 1.336 8.787 1.282 241 H GLN 29 H GLN 29 -3.578 8.902 -1.846 242 HA GLN 29 HA GLN 29 -2.942 6.114 -2.086 243 HB2 GLN 29 2HB GLN 29 -5.003 6.993 -3.027 244 HB3 GLN 29 3HB GLN 29 -4.114 8.109 -4.061 245 HG2 GLN 29 2HG GLN 29 -3.208 6.222 -5.344 246 HG3 GLN 29 3HG GLN 29 -4.028 5.084 -4.273 247 HE21 GLN 29 1HE2 GLN 29 -4.321 5.441 -7.165 248 HE22 GLN 29 2HE2 GLN 29 -5.985 5.793 -7.440 249 H PHE 30 H PHE 30 -1.417 9.063 -3.146 250 HA PHE 30 HA PHE 30 0.582 7.553 -4.753 251 HB2 PHE 30 2HB PHE 30 -0.093 10.520 -5.035 252 HB3 PHE 30 3HB PHE 30 0.889 9.540 -6.120 253 HD1 PHE 30 HD2 PHE 30 -0.259 7.702 -7.497 254 HD2 PHE 30 HD1 PHE 30 -2.482 10.646 -5.331 255 HE1 PHE 30 HE2 PHE 30 -2.268 7.173 -8.824 256 HE2 PHE 30 HE1 PHE 30 -4.485 10.103 -6.653 257 HZ PHE 30 HZ PHE 30 -4.386 8.368 -8.403 258 HA PRO 31 HA PRO 31 2.676 9.128 -0.854 259 HB2 PRO 31 2HB PRO 31 4.238 6.599 -1.018 260 HB3 PRO 31 3HB PRO 31 3.280 7.242 0.318 261 HG2 PRO 31 2HG PRO 31 2.436 5.117 -1.089 262 HG3 PRO 31 3HG PRO 31 1.282 6.339 -0.503 263 HD2 PRO 31 2HD PRO 31 2.504 6.062 -3.264 264 HD3 PRO 31 3HD PRO 31 0.801 6.303 -2.812 265 H HIS 32 H HIS 32 4.899 9.689 -0.352 266 HA HIS 32 HA HIS 32 6.340 10.690 -2.624 267 HB2 HIS 32 2HB HIS 32 7.095 10.729 0.335 268 HB3 HIS 32 3HB HIS 32 7.858 11.690 -0.931 269 HD2 HIS 32 HD2 HIS 32 6.604 14.063 -1.510 270 HE1 HIS 32 HE1 HIS 32 3.113 13.334 0.770 271 HE2 HIS 32 HE2 HIS 32 4.440 15.073 -0.493 272 H ASP 33 H ASP 33 7.866 8.914 0.097 273 HA ASP 33 HA ASP 33 8.867 6.800 -1.588 274 HB2 ASP 33 2HB ASP 33 11.311 7.299 -1.164 275 HB3 ASP 33 3HB ASP 33 10.520 8.438 -2.239 276 H SER 34 H SER 34 9.611 8.420 1.555 277 HA SER 34 HA SER 34 10.456 6.107 2.929 278 HB2 SER 34 2HB SER 34 11.017 8.362 3.718 279 HB3 SER 34 3HB SER 34 9.321 8.703 4.048 280 HG SER 34 HG SER 34 11.101 6.997 5.417 281 H GLU 35 H GLU 35 7.245 7.465 2.493 282 HA GLU 35 HA GLU 35 5.756 5.896 4.314 283 HB2 GLU 35 2HB GLU 35 4.915 7.927 3.136 284 HB3 GLU 35 3HB GLU 35 4.912 7.043 1.620 285 HG2 GLU 35 2HG GLU 35 2.659 7.176 2.403 286 HG3 GLU 35 3HG GLU 35 3.186 5.505 2.566 287 H ILE 36 H ILE 36 6.620 5.309 0.882 288 HA ILE 36 HA ILE 36 5.328 2.784 0.576 289 HB ILE 36 HB ILE 36 7.732 3.873 -0.972 290 HG12 ILE 36 2HG1 ILE 36 4.761 4.067 -1.664 291 HG13 ILE 36 3HG1 ILE 36 5.750 5.394 -1.069 292 HG21 ILE 36 1HG2 ILE 36 7.058 2.312 -2.784 293 HG22 ILE 36 2HG2 ILE 36 5.799 1.650 -1.741 294 HG23 ILE 36 3HG2 ILE 36 7.496 1.451 -1.308 295 HD11 ILE 36 3HD1 ILE 36 5.404 5.570 -3.456 296 HD12 ILE 36 1HD1 ILE 36 6.097 3.968 -3.711 297 HD13 ILE 36 2HD1 ILE 36 7.110 5.286 -3.116 298 H ILE 37 H ILE 37 8.693 3.677 1.332 299 HA ILE 37 HA ILE 37 9.795 1.063 1.387 300 HB ILE 37 HB ILE 37 10.825 3.625 2.685 301 HG12 ILE 37 2HG1 ILE 37 11.549 2.399 -0.025 302 HG13 ILE 37 3HG1 ILE 37 10.463 3.768 0.191 303 HG21 ILE 37 1HG2 ILE 37 13.067 2.563 2.648 304 HG22 ILE 37 2HG2 ILE 37 12.346 1.063 2.062 305 HG23 ILE 37 3HG2 ILE 37 11.944 1.666 3.671 306 HD11 ILE 37 3HD1 ILE 37 13.405 3.721 0.874 307 HD12 ILE 37 1HD1 ILE 37 12.318 5.098 1.082 308 HD13 ILE 37 2HD1 ILE 37 12.665 4.481 -0.533 309 H ARG 38 H ARG 38 8.313 3.073 3.884 310 HA ARG 38 HA ARG 38 8.741 1.545 6.198 311 HB2 ARG 38 2HB ARG 38 7.713 3.767 6.259 312 HB3 ARG 38 3HB ARG 38 6.327 3.197 5.336 313 HG2 ARG 38 2HG ARG 38 5.655 1.765 7.243 314 HG3 ARG 38 3HG ARG 38 7.045 2.342 8.166 315 HD2 ARG 38 2HD ARG 38 6.151 4.612 8.186 316 HD3 ARG 38 3HD ARG 38 4.828 4.138 7.115 317 HE ARG 38 HE ARG 38 4.025 2.684 8.946 318 HH11 ARG 38 1HH1 ARG 38 6.070 5.343 9.828 319 HH12 ARG 38 2HH1 ARG 38 5.426 5.430 11.428 320 HH21 ARG 38 1HH2 ARG 38 3.236 2.838 10.989 321 HH22 ARG 38 2HH2 ARG 38 3.851 4.041 12.065 322 H LEU 39 H LEU 39 6.146 1.313 3.761 323 HA LEU 39 HA LEU 39 4.809 -0.964 4.793 324 HB2 LEU 39 2HB LEU 39 4.928 -0.012 1.911 325 HB3 LEU 39 3HB LEU 39 3.710 -1.080 2.598 326 HG LEU 39 HG LEU 39 4.116 1.817 3.444 327 HD11 LEU 39 1HD1 LEU 39 3.368 1.721 1.119 328 HD12 LEU 39 2HD1 LEU 39 2.104 2.351 2.168 329 HD13 LEU 39 3HD1 LEU 39 2.011 0.689 1.581 330 HD21 LEU 39 3HD2 LEU 39 3.117 0.453 5.219 331 HD22 LEU 39 1HD2 LEU 39 1.874 -0.123 4.103 332 HD23 LEU 39 2HD2 LEU 39 1.935 1.581 4.562 333 H MET 40 H MET 40 7.452 -0.657 2.388 334 HA MET 40 HA MET 40 7.652 -3.325 1.516 335 HB2 MET 40 2HB MET 40 9.837 -1.224 1.805 336 HB3 MET 40 3HB MET 40 10.052 -2.743 0.944 337 HG2 MET 40 2HG MET 40 8.395 -2.079 -0.711 338 HG3 MET 40 3HG MET 40 8.033 -0.610 0.195 339 HE1 MET 40 3HE MET 40 11.606 -2.195 -0.418 340 HE2 MET 40 1HE MET 40 12.086 -1.367 -1.902 341 HE3 MET 40 2HE MET 40 10.747 -2.516 -1.928 342 H LYS 41 H LYS 41 8.924 -1.778 4.408 343 HA LYS 41 HA LYS 41 10.485 -4.038 5.307 344 HB2 LYS 41 2HB LYS 41 9.675 -1.457 6.688 345 HB3 LYS 41 3HB LYS 41 10.719 -2.670 7.426 346 HG2 LYS 41 2HG LYS 41 12.358 -2.351 5.573 347 HG3 LYS 41 3HG LYS 41 11.325 -1.080 4.904 348 HD2 LYS 41 2HD LYS 41 11.619 0.265 6.939 349 HD3 LYS 41 3HD LYS 41 12.563 -1.025 7.688 350 HE2 LYS 41 2HE LYS 41 14.288 -0.741 5.900 351 HE3 LYS 41 3HE LYS 41 13.356 0.614 5.255 352 HZ1 LYS 41 3HZ LYS 41 14.569 0.451 7.963 353 HZ2 LYS 41 1HZ LYS 41 13.633 1.740 7.394 354 HZ3 LYS 41 2HZ LYS 41 15.124 1.395 6.674 355 H ILE 42 H ILE 42 7.162 -2.945 5.873 356 HA ILE 42 HA ILE 42 6.826 -4.834 8.127 357 HB ILE 42 HB ILE 42 4.847 -2.752 7.103 358 HG12 ILE 42 2HG1 ILE 42 6.851 -1.632 7.976 359 HG13 ILE 42 3HG1 ILE 42 5.521 -1.401 9.101 360 HG21 ILE 42 1HG2 ILE 42 4.797 -4.386 9.674 361 HG22 ILE 42 2HG2 ILE 42 3.705 -4.570 8.300 362 HG23 ILE 42 3HG2 ILE 42 3.666 -3.092 9.260 363 HD11 ILE 42 3HD1 ILE 42 7.824 -3.332 9.424 364 HD12 ILE 42 1HD1 ILE 42 6.473 -3.155 10.550 365 HD13 ILE 42 2HD1 ILE 42 7.579 -1.812 10.281 366 H THR 43 H THR 43 4.947 -3.995 5.158 367 HA THR 43 HA THR 43 3.334 -6.314 5.088 368 HB THR 43 HB THR 43 2.715 -5.745 2.811 369 HG1 THR 43 HG1 THR 43 4.458 -3.651 2.402 370 HG21 THR 43 3HG2 THR 43 3.243 -3.162 4.327 371 HG22 THR 43 1HG2 THR 43 1.817 -4.189 4.498 372 HG23 THR 43 2HG2 THR 43 2.126 -3.352 2.976 373 H GLY 44 H GLY 44 6.499 -5.628 3.611 374 HA2 GLY 44 2HA GLY 44 8.152 -7.151 2.946 375 HA3 GLY 44 3HA GLY 44 7.006 -8.473 3.093 376 H LEU 45 H LEU 45 5.412 -6.166 1.361 377 HA LEU 45 HA LEU 45 5.815 -7.357 -1.231 378 HB2 LEU 45 2HB LEU 45 4.265 -4.902 -0.321 379 HB3 LEU 45 3HB LEU 45 4.284 -5.458 -1.987 380 HG LEU 45 HG LEU 45 3.191 -7.065 0.364 381 HD11 LEU 45 1HD1 LEU 45 0.960 -6.593 -0.579 382 HD12 LEU 45 2HD1 LEU 45 1.689 -5.541 -1.796 383 HD13 LEU 45 3HD1 LEU 45 1.780 -5.111 -0.086 384 HD21 LEU 45 3HD2 LEU 45 4.040 -8.523 -1.423 385 HD22 LEU 45 1HD2 LEU 45 3.087 -7.644 -2.623 386 HD23 LEU 45 2HD2 LEU 45 2.282 -8.583 -1.361 387 H THR 46 H THR 46 6.596 -6.275 -3.114 388 HA THR 46 HA THR 46 8.864 -4.518 -2.727 389 HB THR 46 HB THR 46 9.171 -4.699 -5.179 390 HG1 THR 46 HG1 THR 46 7.678 -5.843 -6.439 391 HG21 THR 46 3HG2 THR 46 8.517 -7.390 -3.918 392 HG22 THR 46 1HG2 THR 46 10.063 -6.542 -3.799 393 HG23 THR 46 2HG2 THR 46 9.502 -7.142 -5.359 394 H LYS 47 H LYS 47 9.090 -2.476 -3.994 395 HA LYS 47 HA LYS 47 7.111 -0.580 -3.474 396 HB2 LYS 47 2HB LYS 47 9.481 -0.006 -3.808 397 HB3 LYS 47 3HB LYS 47 9.389 -0.483 -5.499 398 HG2 LYS 47 2HG LYS 47 7.836 1.370 -5.960 399 HG3 LYS 47 3HG LYS 47 7.865 1.838 -4.261 400 HD2 LYS 47 2HD LYS 47 10.279 1.857 -6.119 401 HD3 LYS 47 3HD LYS 47 9.311 3.274 -5.710 402 HE2 LYS 47 2HE LYS 47 9.951 3.026 -3.335 403 HE3 LYS 47 3HE LYS 47 10.919 1.605 -3.738 404 HZ1 LYS 47 3HZ LYS 47 11.371 4.378 -4.699 405 HZ2 LYS 47 1HZ LYS 47 12.270 3.030 -5.188 406 HZ3 LYS 47 2HZ LYS 47 12.313 3.535 -3.574 407 H GLY 48 H GLY 48 7.676 -2.477 -6.403 408 HA2 GLY 48 2HA GLY 48 5.848 -1.231 -8.166 409 HA3 GLY 48 3HA GLY 48 6.433 -2.883 -8.286 410 H GLU 49 H GLU 49 5.413 -4.016 -5.971 411 HA GLU 49 HA GLU 49 2.718 -4.627 -6.554 412 HB2 GLU 49 2HB GLU 49 4.492 -5.115 -4.148 413 HB3 GLU 49 3HB GLU 49 2.799 -5.585 -4.093 414 HG2 GLU 49 2HG GLU 49 4.717 -6.562 -6.229 415 HG3 GLU 49 3HG GLU 49 4.452 -7.402 -4.703 416 H ILE 50 H ILE 50 4.120 -2.537 -4.081 417 HA ILE 50 HA ILE 50 1.764 -1.786 -2.735 418 HB ILE 50 HB ILE 50 4.494 -0.462 -2.989 419 HG12 ILE 50 2HG1 ILE 50 3.278 -2.125 -0.730 420 HG13 ILE 50 3HG1 ILE 50 4.383 -2.752 -1.950 421 HG21 ILE 50 1HG2 ILE 50 3.968 0.874 -0.977 422 HG22 ILE 50 2HG2 ILE 50 2.304 0.288 -1.020 423 HG23 ILE 50 3HG2 ILE 50 2.917 1.297 -2.331 424 HD11 ILE 50 3HD1 ILE 50 5.026 -0.647 0.110 425 HD12 ILE 50 1HD1 ILE 50 6.137 -1.271 -1.112 426 HD13 ILE 50 2HD1 ILE 50 5.513 -2.340 0.143 427 H LYS 51 H LYS 51 3.610 0.073 -5.206 428 HA LYS 51 HA LYS 51 1.829 2.189 -5.648 429 HB2 LYS 51 2HB LYS 51 3.813 0.815 -7.491 430 HB3 LYS 51 3HB LYS 51 2.894 2.222 -8.015 431 HG2 LYS 51 2HG LYS 51 3.921 3.610 -6.321 432 HG3 LYS 51 3HG LYS 51 4.737 2.216 -5.601 433 HD2 LYS 51 2HD LYS 51 6.190 1.965 -7.497 434 HD3 LYS 51 3HD LYS 51 5.228 3.070 -8.481 435 HE2 LYS 51 2HE LYS 51 6.769 3.915 -6.002 436 HE3 LYS 51 3HE LYS 51 7.393 4.039 -7.648 437 HZ1 LYS 51 3HZ LYS 51 6.438 6.124 -6.902 438 HZ2 LYS 51 1HZ LYS 51 4.942 5.378 -6.636 439 HZ3 LYS 51 2HZ LYS 51 5.560 5.500 -8.205 440 H LYS 52 H LYS 52 1.843 -1.064 -7.059 441 HA LYS 52 HA LYS 52 -0.158 -0.703 -9.029 442 HB2 LYS 52 2HB LYS 52 1.354 -2.656 -9.039 443 HB3 LYS 52 3HB LYS 52 0.619 -3.248 -7.550 444 HG2 LYS 52 2HG LYS 52 -1.545 -3.512 -8.742 445 HG3 LYS 52 3HG LYS 52 -0.782 -2.948 -10.230 446 HD2 LYS 52 2HD LYS 52 0.728 -4.899 -10.202 447 HD3 LYS 52 3HD LYS 52 -0.006 -5.454 -8.690 448 HE2 LYS 52 2HE LYS 52 -2.183 -5.696 -9.841 449 HE3 LYS 52 3HE LYS 52 -1.455 -5.141 -11.348 450 HZ1 LYS 52 3HZ LYS 52 -0.686 -7.592 -9.869 451 HZ2 LYS 52 1HZ LYS 52 -0.030 -7.069 -11.336 452 HZ3 LYS 52 2HZ LYS 52 -1.650 -7.537 -11.255 453 H TRP 53 H TRP 53 -0.356 -1.893 -5.659 454 HA TRP 53 HA TRP 53 -3.066 -2.577 -5.560 455 HB2 TRP 53 2HB TRP 53 -1.486 -3.227 -3.775 456 HB3 TRP 53 3HB TRP 53 -1.302 -1.547 -3.286 457 HD1 TRP 53 HD1 TRP 53 -3.789 -4.485 -3.062 458 HE1 TRP 53 HE1 TRP 53 -5.557 -3.940 -1.279 459 HE3 TRP 53 HE3 TRP 53 -2.511 0.377 -2.058 460 HZ2 TRP 53 HZ2 TRP 53 -6.333 -1.757 0.318 461 HZ3 TRP 53 HZ3 TRP 53 -3.833 1.622 -0.392 462 HH2 TRP 53 HH2 TRP 53 -5.708 0.572 0.774 463 H PHE 54 H PHE 54 -1.479 0.502 -4.718 464 HA PHE 54 HA PHE 54 -3.667 1.968 -3.789 465 HB2 PHE 54 2HB PHE 54 -1.064 2.815 -5.099 466 HB3 PHE 54 3HB PHE 54 -2.256 4.016 -4.624 467 HD1 PHE 54 HD2 PHE 54 -3.188 3.553 -2.083 468 HD2 PHE 54 HD1 PHE 54 0.691 2.542 -3.562 469 HE1 PHE 54 HE2 PHE 54 -2.294 3.605 0.202 470 HE2 PHE 54 HE1 PHE 54 1.573 2.614 -1.269 471 HZ PHE 54 HZ PHE 54 0.082 3.135 0.612 472 H SER 55 H SER 55 -2.441 1.701 -7.127 473 HA SER 55 HA SER 55 -4.298 3.472 -8.358 474 HB2 SER 55 2HB SER 55 -2.202 2.781 -9.466 475 HB3 SER 55 3HB SER 55 -2.786 1.124 -9.584 476 HG SER 55 HG SER 55 -3.109 3.020 -11.341 477 H ASP 56 H ASP 56 -4.443 -0.023 -7.707 478 HA ASP 56 HA ASP 56 -6.959 -0.473 -9.039 479 HB2 ASP 56 2HB ASP 56 -5.420 -2.217 -7.072 480 HB3 ASP 56 3HB ASP 56 -6.856 -2.739 -7.950 481 H THR 57 H THR 57 -6.105 0.645 -5.840 482 HA THR 57 HA THR 57 -8.110 -0.457 -4.231 483 HB THR 57 HB THR 57 -6.947 2.324 -3.774 484 HG1 THR 57 HG1 THR 57 -5.807 -0.185 -3.623 485 HG21 THR 57 3HG2 THR 57 -7.316 1.837 -1.388 486 HG22 THR 57 1HG2 THR 57 -7.968 0.247 -1.787 487 HG23 THR 57 2HG2 THR 57 -8.844 1.706 -2.259 488 H ARG 58 H ARG 58 -8.241 2.621 -6.096 489 HA ARG 58 HA ARG 58 -10.682 3.555 -5.055 490 HB2 ARG 58 2HB ARG 58 -9.306 4.163 -7.690 491 HB3 ARG 58 3HB ARG 58 -10.875 4.867 -7.302 492 HG2 ARG 58 2HG ARG 58 -9.838 5.748 -5.159 493 HG3 ARG 58 3HG ARG 58 -8.273 5.238 -5.792 494 HD2 ARG 58 2HD ARG 58 -8.560 6.774 -7.720 495 HD3 ARG 58 3HD ARG 58 -10.137 7.275 -7.082 496 HE ARG 58 HE ARG 58 -8.154 7.629 -5.104 497 HH11 ARG 58 1HH1 ARG 58 -9.215 9.133 -8.034 498 HH12 ARG 58 2HH1 ARG 58 -8.488 10.645 -7.623 499 HH21 ARG 58 1HH2 ARG 58 -7.227 9.537 -4.638 500 HH22 ARG 58 2HH2 ARG 58 -7.392 10.867 -5.732 501 H TYR 59 H TYR 59 -10.121 1.265 -7.720 502 HA TYR 59 HA TYR 59 -12.829 0.992 -8.550 503 HB2 TYR 59 2HB TYR 59 -10.970 0.075 -9.913 504 HB3 TYR 59 3HB TYR 59 -10.601 -1.094 -8.646 505 HD1 TYR 59 HD2 TYR 59 -13.231 -0.090 -11.109 506 HD2 TYR 59 HD1 TYR 59 -11.824 -3.191 -8.526 507 HE1 TYR 59 HE2 TYR 59 -14.890 -1.633 -12.054 508 HE2 TYR 59 HE1 TYR 59 -13.499 -4.729 -9.462 509 HH TYR 59 HH TYR 59 -15.358 -3.941 -12.295 510 H ASN 60 H ASN 60 -10.891 -0.747 -6.116 511 HA ASN 60 HA ASN 60 -12.955 -2.539 -5.249 512 HB2 ASN 60 2HB ASN 60 -10.381 -1.636 -3.877 513 HB3 ASN 60 3HB ASN 60 -11.420 -2.914 -3.259 514 HD21 ASN 60 1HD2 ASN 60 -10.644 -2.467 -6.720 515 HD22 ASN 60 2HD2 ASN 60 -9.730 -3.914 -6.857 516 H GLN 61 H GLN 61 -12.271 0.757 -4.598 517 HA GLN 61 HA GLN 61 -13.917 0.968 -2.164 518 HB2 GLN 61 2HB GLN 61 -11.506 2.086 -2.732 519 HB3 GLN 61 3HB GLN 61 -12.508 3.337 -3.439 520 HG2 GLN 61 2HG GLN 61 -12.789 2.429 -0.559 521 HG3 GLN 61 3HG GLN 61 -11.679 3.702 -1.056 522 HE21 GLN 61 1HE2 GLN 61 -15.013 2.860 -0.518 523 HE22 GLN 61 2HE2 GLN 61 -15.650 4.454 -0.666 524 H ARG 62 H ARG 62 -14.946 0.420 -4.970 525 HA ARG 62 HA ARG 62 -17.299 2.102 -4.752 526 HB2 ARG 62 2HB ARG 62 -17.299 3.011 -6.995 527 HB3 ARG 62 3HB ARG 62 -15.773 3.445 -6.233 528 HG2 ARG 62 2HG ARG 62 -14.687 1.537 -7.467 529 HG3 ARG 62 3HG ARG 62 -16.215 1.278 -8.312 530 HD2 ARG 62 2HD ARG 62 -14.712 2.586 -9.713 531 HD3 ARG 62 3HD ARG 62 -16.080 3.590 -9.216 532 HE ARG 62 HE ARG 62 -14.056 4.006 -7.357 533 HH11 ARG 62 1HH1 ARG 62 -14.523 4.602 -10.730 534 HH12 ARG 62 2HH1 ARG 62 -13.425 5.933 -10.748 535 HH21 ARG 62 1HH2 ARG 62 -12.677 5.709 -7.408 536 HH22 ARG 62 2HH2 ARG 62 -12.392 6.547 -8.896 537 H ASN 63 H ASN 63 -15.687 -0.717 -5.847 538 HA ASN 63 HA ASN 63 -17.807 -1.973 -7.324 539 HB2 ASN 63 2HB ASN 63 -15.374 -2.551 -7.572 540 HB3 ASN 63 3HB ASN 63 -15.362 -3.190 -5.937 541 HD21 ASN 63 1HD2 ASN 63 -16.463 -3.730 -9.211 542 HD22 ASN 63 2HD2 ASN 63 -16.844 -5.397 -9.008 543 H SER 64 H SER 64 -18.821 -4.084 -6.522 544 HA SER 64 HA SER 64 -20.413 -3.776 -4.253 545 HB2 SER 64 2HB SER 64 -19.646 -6.380 -5.656 546 HB3 SER 64 3HB SER 64 -21.022 -6.176 -4.568 547 HG SER 64 HG SER 64 -20.901 -5.719 -7.184 548 H LYS 65 H LYS 65 -19.392 -3.363 -2.333 549 HA LYS 65 HA LYS 65 -17.007 -4.519 -1.363 550 HB2 LYS 65 2HB LYS 65 -17.963 -2.286 -0.724 551 HB3 LYS 65 3HB LYS 65 -19.216 -3.096 0.196 552 HG2 LYS 65 2HG LYS 65 -16.327 -3.610 0.903 553 HG3 LYS 65 3HG LYS 65 -17.055 -2.071 1.363 554 HD2 LYS 65 2HD LYS 65 -18.822 -3.291 2.614 555 HD3 LYS 65 3HD LYS 65 -18.074 -4.827 2.172 556 HE2 LYS 65 2HE LYS 65 -16.028 -4.172 3.415 557 HE3 LYS 65 3HE LYS 65 -16.794 -2.645 3.858 558 HZ1 LYS 65 3HZ LYS 65 -16.926 -4.286 5.627 559 HZ2 LYS 65 1HZ LYS 65 -17.780 -5.342 4.620 560 HZ3 LYS 65 2HZ LYS 65 -18.470 -3.865 5.079 561 H SER 66 H SER 66 -16.712 -5.890 0.529 562 HA SER 66 HA SER 66 -16.754 -7.937 1.463 563 HB2 SER 66 2HB SER 66 -19.786 -7.856 1.140 564 HB3 SER 66 3HB SER 66 -18.895 -9.061 2.071 565 HG SER 66 HG SER 66 -19.336 -7.632 3.601 566 H ASN 67 H ASN 67 -15.632 -8.214 -0.622 567 HA ASN 67 HA ASN 67 -16.967 -9.455 -2.876 568 HB2 ASN 67 2HB ASN 67 -14.003 -8.913 -2.401 569 HB3 ASN 67 3HB ASN 67 -14.738 -9.330 -3.949 570 HD21 ASN 67 1HD2 ASN 67 -15.920 -7.746 -5.054 571 HD22 ASN 67 2HD2 ASN 67 -15.893 -6.083 -4.604 572 H GLN 68 H GLN 68 -17.701 -11.330 -1.535 573 HA GLN 68 HA GLN 68 -15.751 -13.573 -1.628 574 HB2 GLN 68 2HB GLN 68 -16.289 -12.839 0.739 575 HB3 GLN 68 3HB GLN 68 -17.984 -13.201 0.434 576 HG2 GLN 68 2HG GLN 68 -17.386 -15.584 0.073 577 HG3 GLN 68 3HG GLN 68 -15.703 -15.213 0.433 578 HE21 GLN 68 1HE2 GLN 68 -15.134 -14.723 2.588 579 HE22 GLN 68 2HE2 GLN 68 -16.159 -15.113 3.917 580 H CYS 69 H CYS 69 -16.708 -15.671 -2.120 581 HA CYS 69 HA CYS 69 -17.845 -17.081 -3.474 582 HB2 CYS 69 2HB CYS 69 -19.695 -16.852 -1.878 583 HB3 CYS 69 3HB CYS 69 -20.271 -15.405 -2.696 584 HG CYS 69 HG CYS 69 -20.843 -16.875 -5.105 585 H LEU 70 H LEU 70 -16.541 -16.172 -5.174 586 HA LEU 70 HA LEU 70 -17.504 -14.038 -6.858 587 HB2 LEU 70 2HB LEU 70 -15.105 -14.408 -6.265 588 HB3 LEU 70 3HB LEU 70 -15.097 -15.876 -7.215 589 HG LEU 70 HG LEU 70 -15.827 -13.309 -8.638 590 HD11 LEU 70 1HD1 LEU 70 -12.957 -13.967 -7.900 591 HD12 LEU 70 2HD1 LEU 70 -13.900 -12.604 -7.296 592 HD13 LEU 70 3HD1 LEU 70 -13.479 -12.689 -9.003 593 HD21 LEU 70 3HD2 LEU 70 -14.616 -14.325 -10.518 594 HD22 LEU 70 1HD2 LEU 70 -15.837 -15.433 -9.894 595 HD23 LEU 70 2HD2 LEU 70 -14.135 -15.686 -9.499 596 H HIS 71 H HIS 71 -18.074 -14.155 -9.033 597 HA HIS 71 HA HIS 71 -19.908 -15.998 -9.913 598 HB2 HIS 71 2HB HIS 71 -19.672 -13.754 -10.851 599 HB3 HIS 71 3HB HIS 71 -18.102 -14.152 -11.530 600 HD1 HIS 71 HD1 HIS 71 -21.763 -14.440 -12.169 601 HD2 HIS 71 HD2 HIS 71 -18.210 -15.637 -13.962 602 HE1 HIS 71 HE1 HIS 71 -22.377 -15.080 -14.513 603 HE2 HIS 71 HE2 HIS 71 -20.194 -15.669 -15.616 604 H LEU 72 H LEU 72 -19.466 -18.167 -9.940 605 HA LEU 72 HA LEU 72 -17.197 -19.233 -11.512 606 HB2 LEU 72 2HB LEU 72 -18.991 -20.492 -9.405 607 HB3 LEU 72 3HB LEU 72 -17.866 -21.433 -10.374 608 HG LEU 72 HG LEU 72 -17.062 -19.190 -8.471 609 HD11 LEU 72 1HD1 LEU 72 -16.171 -20.967 -7.026 610 HD12 LEU 72 2HD1 LEU 72 -16.826 -22.194 -8.112 611 HD13 LEU 72 3HD1 LEU 72 -17.915 -21.119 -7.232 612 HD21 LEU 72 3HD2 LEU 72 -15.331 -21.143 -10.037 613 HD22 LEU 72 1HD2 LEU 72 -14.750 -19.987 -8.832 614 HD23 LEU 72 2HD2 LEU 72 -15.474 -19.407 -10.329 615 H ASN 73 H ASN 73 -17.578 -21.087 -12.876 616 HA ASN 73 HA ASN 73 -20.008 -20.945 -14.489 617 HB2 ASN 73 2HB ASN 73 -18.806 -22.481 -16.012 618 HB3 ASN 73 3HB ASN 73 -17.805 -21.096 -15.601 619 HD21 ASN 73 1HD2 ASN 73 -16.985 -23.700 -16.591 620 HD22 ASN 73 2HD2 ASN 73 -15.910 -24.356 -15.411 621 H ASN 74 H ASN 74 -20.859 -23.170 -15.295 622 HA ASN 74 HA ASN 74 -22.059 -25.034 -15.001 623 HB2 ASN 74 2HB ASN 74 -19.892 -26.089 -14.417 624 HB3 ASN 74 3HB ASN 74 -20.145 -25.692 -12.722 625 HD21 ASN 74 1HD2 ASN 74 -21.640 -26.925 -11.520 626 HD22 ASN 74 2HD2 ASN 74 -22.317 -28.398 -12.114 Start of MODEL 20 1 H1 SER 1 1H SER 1 7.942 -15.828 14.530 2 H2 SER 1 2H SER 1 9.325 -16.761 14.275 3 H3 SER 1 3H SER 1 7.924 -17.482 14.883 4 HA SER 1 HA SER 1 8.231 -16.255 12.207 5 HB2 SER 1 2HB SER 1 8.100 -19.187 13.020 6 HB3 SER 1 3HB SER 1 8.049 -18.608 11.353 7 HG SER 1 HG SER 1 10.127 -18.502 11.403 8 H HIS 2 H HIS 2 6.159 -18.482 14.143 9 HA HIS 2 HA HIS 2 3.977 -19.050 14.090 10 HB2 HIS 2 2HB HIS 2 3.634 -16.212 13.052 11 HB3 HIS 2 3HB HIS 2 2.267 -17.275 13.362 12 HD1 HIS 2 HD1 HIS 2 1.291 -17.051 15.621 13 HD2 HIS 2 HD2 HIS 2 5.272 -15.860 15.571 14 HE1 HIS 2 HE1 HIS 2 1.764 -16.202 17.927 15 HE2 HIS 2 HE2 HIS 2 4.218 -15.677 17.929 16 H MET 3 H MET 3 3.757 -20.729 12.770 17 HA MET 3 HA MET 3 3.441 -22.091 11.015 18 HB2 MET 3 2HB MET 3 2.568 -19.615 9.457 19 HB3 MET 3 3HB MET 3 2.349 -21.275 8.921 20 HG2 MET 3 2HG MET 3 0.909 -21.676 10.928 21 HG3 MET 3 3HG MET 3 1.040 -19.963 11.319 22 HE1 MET 3 3HE MET 3 0.632 -21.763 7.770 23 HE2 MET 3 1HE MET 3 -1.119 -21.642 7.578 24 HE3 MET 3 2HE MET 3 -0.440 -22.646 8.856 25 HA PRO 4 HA PRO 4 7.290 -22.510 8.657 26 HB2 PRO 4 2HB PRO 4 5.480 -23.189 6.324 27 HB3 PRO 4 3HB PRO 4 6.951 -24.012 6.875 28 HG2 PRO 4 2HG PRO 4 4.572 -25.028 7.480 29 HG3 PRO 4 3HG PRO 4 5.857 -25.002 8.708 30 HD2 PRO 4 2HD PRO 4 3.425 -23.245 8.466 31 HD3 PRO 4 3HD PRO 4 4.229 -23.861 9.926 32 H ASP 5 H ASP 5 8.519 -20.893 7.839 33 HA ASP 5 HA ASP 5 7.422 -18.406 7.086 34 HB2 ASP 5 2HB ASP 5 10.290 -19.412 6.844 35 HB3 ASP 5 3HB ASP 5 9.799 -17.722 6.719 36 H SER 6 H SER 6 6.712 -17.700 5.189 37 HA SER 6 HA SER 6 7.274 -19.040 2.662 38 HB2 SER 6 2HB SER 6 4.978 -18.222 3.134 39 HB3 SER 6 3HB SER 6 5.578 -16.564 3.237 40 HG SER 6 HG SER 6 4.885 -17.992 1.065 41 H PHE 7 H PHE 7 9.546 -18.636 2.638 42 HA PHE 7 HA PHE 7 10.734 -16.060 2.667 43 HB2 PHE 7 2HB PHE 7 12.806 -17.253 1.903 44 HB3 PHE 7 3HB PHE 7 12.064 -17.948 3.331 45 HD1 PHE 7 HD2 PHE 7 10.672 -20.106 3.070 46 HD2 PHE 7 HD1 PHE 7 13.227 -18.621 -0.020 47 HE1 PHE 7 HE2 PHE 7 10.686 -22.326 2.013 48 HE2 PHE 7 HE1 PHE 7 13.236 -20.845 -1.068 49 HZ PHE 7 HZ PHE 7 11.968 -22.698 -0.058 50 H GLY 8 H GLY 8 10.751 -14.547 1.151 51 HA2 GLY 8 2HA GLY 8 10.720 -13.474 -0.897 52 HA3 GLY 8 3HA GLY 8 10.829 -15.033 -1.698 53 H ILE 9 H ILE 9 9.239 -14.002 -3.218 54 HA ILE 9 HA ILE 9 6.491 -13.741 -2.258 55 HB ILE 9 HB ILE 9 7.554 -13.567 -5.124 56 HG12 ILE 9 2HG1 ILE 9 6.868 -11.078 -4.845 57 HG13 ILE 9 3HG1 ILE 9 6.776 -11.393 -3.119 58 HG21 ILE 9 1HG2 ILE 9 5.222 -14.331 -5.147 59 HG22 ILE 9 2HG2 ILE 9 5.319 -12.674 -5.738 60 HG23 ILE 9 3HG2 ILE 9 4.743 -12.991 -4.101 61 HD11 ILE 9 3HD1 ILE 9 9.169 -11.927 -3.106 62 HD12 ILE 9 1HD1 ILE 9 8.853 -10.310 -3.736 63 HD13 ILE 9 2HD1 ILE 9 9.241 -11.625 -4.845 64 H ARG 10 H ARG 10 6.360 -15.892 -1.394 65 HA ARG 10 HA ARG 10 5.671 -17.997 -3.385 66 HB2 ARG 10 2HB ARG 10 6.427 -18.281 -0.441 67 HB3 ARG 10 3HB ARG 10 5.915 -19.618 -1.463 68 HG2 ARG 10 2HG ARG 10 8.407 -17.936 -1.896 69 HG3 ARG 10 3HG ARG 10 8.371 -19.534 -1.148 70 HD2 ARG 10 2HD ARG 10 7.483 -20.483 -3.272 71 HD3 ARG 10 3HD ARG 10 7.577 -18.878 -4.011 72 HE ARG 10 HE ARG 10 10.037 -20.027 -2.901 73 HH11 ARG 10 1HH1 ARG 10 8.236 -19.222 -5.762 74 HH12 ARG 10 2HH1 ARG 10 9.602 -19.453 -6.793 75 HH21 ARG 10 1HH2 ARG 10 11.752 -20.292 -4.252 76 HH22 ARG 10 2HH2 ARG 10 11.564 -20.033 -5.951 77 H ALA 11 H ALA 11 4.639 -16.352 -0.407 78 HA ALA 11 HA ALA 11 1.867 -17.322 -0.687 79 HB1 ALA 11 3HB ALA 11 3.123 -15.630 1.505 80 HB2 ALA 11 1HB ALA 11 2.861 -17.374 1.569 81 HB3 ALA 11 2HB ALA 11 1.480 -16.278 1.509 82 H LYS 12 H LYS 12 0.120 -15.731 -0.430 83 HA LYS 12 HA LYS 12 0.543 -13.292 -2.035 84 HB2 LYS 12 2HB LYS 12 -1.949 -14.891 -1.305 85 HB3 LYS 12 3HB LYS 12 -1.994 -13.387 -2.223 86 HG2 LYS 12 2HG LYS 12 -0.729 -14.378 -4.035 87 HG3 LYS 12 3HG LYS 12 -0.435 -15.838 -3.097 88 HD2 LYS 12 2HD LYS 12 -2.135 -16.255 -4.799 89 HD3 LYS 12 3HD LYS 12 -2.836 -16.400 -3.193 90 HE2 LYS 12 2HE LYS 12 -3.086 -13.838 -4.786 91 HE3 LYS 12 3HE LYS 12 -4.201 -15.179 -5.029 92 HZ1 LYS 12 3HZ LYS 12 -4.727 -15.044 -2.628 93 HZ2 LYS 12 1HZ LYS 12 -5.149 -13.654 -3.498 94 HZ3 LYS 12 2HZ LYS 12 -3.774 -13.652 -2.522 95 H LYS 13 H LYS 13 -1.408 -11.586 -1.282 96 HA LYS 13 HA LYS 13 -0.259 -10.329 0.973 97 HB2 LYS 13 2HB LYS 13 -2.881 -9.682 -0.427 98 HB3 LYS 13 3HB LYS 13 -2.093 -8.641 0.754 99 HG2 LYS 13 2HG LYS 13 -0.103 -8.524 -0.810 100 HG3 LYS 13 3HG LYS 13 -1.079 -9.374 -2.011 101 HD2 LYS 13 2HD LYS 13 -2.755 -7.522 -1.929 102 HD3 LYS 13 3HD LYS 13 -1.742 -6.673 -0.757 103 HE2 LYS 13 2HE LYS 13 -1.359 -5.704 -2.939 104 HE3 LYS 13 3HE LYS 13 0.085 -6.606 -2.482 105 HZ1 LYS 13 3HZ LYS 13 -2.044 -7.521 -4.346 106 HZ2 LYS 13 1HZ LYS 13 -0.701 -8.443 -3.873 107 HZ3 LYS 13 2HZ LYS 13 -0.479 -7.027 -4.763 108 H THR 14 H THR 14 -0.448 -11.121 3.007 109 HA THR 14 HA THR 14 -2.849 -12.261 4.142 110 HB THR 14 HB THR 14 -1.707 -12.246 6.290 111 HG1 THR 14 HG1 THR 14 0.444 -11.148 6.369 112 HG21 THR 14 3HG2 THR 14 0.441 -13.361 5.795 113 HG22 THR 14 1HG2 THR 14 0.363 -12.794 4.126 114 HG23 THR 14 2HG2 THR 14 -0.835 -13.944 4.728 115 H LYS 15 H LYS 15 -4.008 -11.208 6.048 116 HA LYS 15 HA LYS 15 -4.782 -8.498 5.512 117 HB2 LYS 15 2HB LYS 15 -5.392 -10.370 7.813 118 HB3 LYS 15 3HB LYS 15 -5.928 -8.698 7.845 119 HG2 LYS 15 2HG LYS 15 -7.749 -10.112 7.117 120 HG3 LYS 15 3HG LYS 15 -7.246 -9.080 5.778 121 HD2 LYS 15 2HD LYS 15 -6.047 -10.956 4.746 122 HD3 LYS 15 3HD LYS 15 -6.421 -11.985 6.130 123 HE2 LYS 15 2HE LYS 15 -8.824 -11.849 5.596 124 HE3 LYS 15 3HE LYS 15 -8.471 -10.791 4.228 125 HZ1 LYS 15 3HZ LYS 15 -8.813 -13.092 3.548 126 HZ2 LYS 15 1HZ LYS 15 -7.524 -13.591 4.519 127 HZ3 LYS 15 2HZ LYS 15 -7.241 -12.583 3.193 128 H GLU 16 H GLU 16 -2.267 -9.890 7.487 129 HA GLU 16 HA GLU 16 -1.663 -7.640 9.127 130 HB2 GLU 16 2HB GLU 16 0.158 -9.878 8.135 131 HB3 GLU 16 3HB GLU 16 0.580 -8.731 9.404 132 HG2 GLU 16 2HG GLU 16 -1.302 -9.582 10.787 133 HG3 GLU 16 3HG GLU 16 -1.694 -10.742 9.522 134 H GLN 17 H GLN 17 -0.599 -8.614 5.882 135 HA GLN 17 HA GLN 17 1.187 -6.388 5.446 136 HB2 GLN 17 2HB GLN 17 -0.062 -8.345 3.461 137 HB3 GLN 17 3HB GLN 17 1.251 -7.228 3.096 138 HG2 GLN 17 2HG GLN 17 2.725 -8.404 4.663 139 HG3 GLN 17 3HG GLN 17 1.414 -9.493 5.114 140 HE21 GLN 17 1HE2 GLN 17 4.043 -10.143 3.955 141 HE22 GLN 17 2HE2 GLN 17 3.713 -11.002 2.496 142 H LEU 18 H LEU 18 -2.057 -7.228 4.292 143 HA LEU 18 HA LEU 18 -2.326 -5.104 2.443 144 HB2 LEU 18 2HB LEU 18 -3.414 -7.467 2.501 145 HB3 LEU 18 3HB LEU 18 -4.623 -6.756 3.547 146 HG LEU 18 HG LEU 18 -4.069 -5.651 0.765 147 HD11 LEU 18 1HD1 LEU 18 -6.090 -7.817 1.449 148 HD12 LEU 18 2HD1 LEU 18 -4.620 -8.036 0.500 149 HD13 LEU 18 3HD1 LEU 18 -5.916 -7.015 -0.117 150 HD21 LEU 18 3HD2 LEU 18 -5.375 -4.171 2.227 151 HD22 LEU 18 1HD2 LEU 18 -6.539 -5.465 2.531 152 HD23 LEU 18 2HD2 LEU 18 -6.373 -4.780 0.911 153 H ALA 19 H ALA 19 -3.517 -5.515 5.803 154 HA ALA 19 HA ALA 19 -5.303 -3.314 5.854 155 HB1 ALA 19 3HB ALA 19 -5.255 -3.511 8.297 156 HB2 ALA 19 1HB ALA 19 -3.829 -4.547 8.197 157 HB3 ALA 19 2HB ALA 19 -5.367 -5.100 7.538 158 H GLU 20 H GLU 20 -1.818 -3.466 6.433 159 HA GLU 20 HA GLU 20 -1.470 -0.834 7.477 160 HB2 GLU 20 2HB GLU 20 0.493 -2.638 6.008 161 HB3 GLU 20 3HB GLU 20 0.940 -1.157 6.853 162 HG2 GLU 20 2HG GLU 20 -0.290 -3.614 8.127 163 HG3 GLU 20 3HG GLU 20 1.408 -3.170 8.185 164 H LEU 21 H LEU 21 -1.381 -2.143 4.176 165 HA LEU 21 HA LEU 21 -0.844 0.318 2.815 166 HB2 LEU 21 2HB LEU 21 -2.289 -2.170 1.809 167 HB3 LEU 21 3HB LEU 21 -1.654 -0.881 0.797 168 HG LEU 21 HG LEU 21 0.019 -2.771 2.501 169 HD11 LEU 21 1HD1 LEU 21 0.788 -3.719 0.358 170 HD12 LEU 21 2HD1 LEU 21 -0.337 -2.672 -0.514 171 HD13 LEU 21 3HD1 LEU 21 -0.952 -3.921 0.572 172 HD21 LEU 21 3HD2 LEU 21 0.919 -0.583 0.591 173 HD22 LEU 21 1HD2 LEU 21 1.976 -1.754 1.387 174 HD23 LEU 21 2HD2 LEU 21 1.092 -0.573 2.347 175 H LYS 22 H LYS 22 -3.760 -1.250 3.982 176 HA LYS 22 HA LYS 22 -5.689 0.120 2.406 177 HB2 LYS 22 2HB LYS 22 -5.748 -2.152 3.907 178 HB3 LYS 22 3HB LYS 22 -6.503 -1.066 5.056 179 HG2 LYS 22 2HG LYS 22 -7.488 -1.542 2.225 180 HG3 LYS 22 3HG LYS 22 -8.103 -2.385 3.646 181 HD2 LYS 22 2HD LYS 22 -8.875 -0.203 4.571 182 HD3 LYS 22 3HD LYS 22 -8.295 0.610 3.115 183 HE2 LYS 22 2HE LYS 22 -9.889 -0.682 1.745 184 HE3 LYS 22 3HE LYS 22 -10.446 -1.543 3.184 185 HZ1 LYS 22 3HZ LYS 22 -10.689 1.380 2.720 186 HZ2 LYS 22 1HZ LYS 22 -11.242 0.542 4.081 187 HZ3 LYS 22 2HZ LYS 22 -11.938 0.253 2.571 188 H VAL 23 H VAL 23 -4.760 0.465 5.821 189 HA VAL 23 HA VAL 23 -6.319 2.786 6.361 190 HB VAL 23 HB VAL 23 -3.895 1.687 7.867 191 HG11 VAL 23 1HG1 VAL 23 -4.302 4.017 8.514 192 HG12 VAL 23 2HG1 VAL 23 -4.777 2.946 9.831 193 HG13 VAL 23 3HG1 VAL 23 -6.010 3.675 8.797 194 HG21 VAL 23 3HG2 VAL 23 -6.873 1.213 8.331 195 HG22 VAL 23 1HG2 VAL 23 -5.566 0.614 9.360 196 HG23 VAL 23 2HG2 VAL 23 -5.719 0.035 7.701 197 H SER 24 H SER 24 -2.951 2.314 5.286 198 HA SER 24 HA SER 24 -2.076 5.015 5.369 199 HB2 SER 24 2HB SER 24 -0.480 3.164 5.052 200 HB3 SER 24 3HB SER 24 -1.186 2.790 3.481 201 HG SER 24 HG SER 24 -0.375 4.681 2.667 202 H TYR 25 H TYR 25 -3.899 3.210 2.922 203 HA TYR 25 HA TYR 25 -3.914 5.203 0.886 204 HB2 TYR 25 2HB TYR 25 -4.407 2.951 0.210 205 HB3 TYR 25 3HB TYR 25 -5.696 2.791 1.400 206 HD1 TYR 25 HD1 TYR 25 -4.766 4.704 -1.711 207 HD2 TYR 25 HD2 TYR 25 -7.936 3.253 0.771 208 HE1 TYR 25 HE1 TYR 25 -6.435 5.518 -3.346 209 HE2 TYR 25 HE2 TYR 25 -9.580 4.048 -0.860 210 HH TYR 25 HH TYR 25 -9.828 5.574 -2.601 211 H LEU 26 H LEU 26 -6.180 4.412 3.501 212 HA LEU 26 HA LEU 26 -8.189 6.319 2.986 213 HB2 LEU 26 2HB LEU 26 -7.278 5.151 5.641 214 HB3 LEU 26 3HB LEU 26 -8.784 6.025 5.402 215 HG LEU 26 HG LEU 26 -8.092 3.401 4.012 216 HD11 LEU 26 1HD1 LEU 26 -9.899 3.836 6.406 217 HD12 LEU 26 2HD1 LEU 26 -8.330 3.027 6.416 218 HD13 LEU 26 3HD1 LEU 26 -9.678 2.318 5.531 219 HD21 LEU 26 3HD2 LEU 26 -10.723 4.919 4.128 220 HD22 LEU 26 1HD2 LEU 26 -10.474 3.336 3.384 221 HD23 LEU 26 2HD2 LEU 26 -9.675 4.757 2.716 222 H LYS 27 H LYS 27 -5.050 6.665 4.506 223 HA LYS 27 HA LYS 27 -5.469 9.414 5.399 224 HB2 LYS 27 2HB LYS 27 -2.921 7.739 5.252 225 HB3 LYS 27 3HB LYS 27 -3.070 9.306 6.048 226 HG2 LYS 27 2HG LYS 27 -4.669 8.341 7.665 227 HG3 LYS 27 3HG LYS 27 -4.549 6.779 6.854 228 HD2 LYS 27 2HD LYS 27 -2.092 6.740 7.411 229 HD3 LYS 27 3HD LYS 27 -2.318 8.233 8.328 230 HE2 LYS 27 2HE LYS 27 -3.548 5.520 8.916 231 HE3 LYS 27 3HE LYS 27 -2.325 6.359 9.866 232 HZ1 LYS 27 3HZ LYS 27 -4.001 8.118 10.283 233 HZ2 LYS 27 1HZ LYS 27 -4.431 6.609 10.919 234 HZ3 LYS 27 2HZ LYS 27 -5.162 7.163 9.503 235 H ASN 28 H ASN 28 -3.876 7.733 2.684 236 HA ASN 28 HA ASN 28 -3.696 10.127 1.070 237 HB2 ASN 28 2HB ASN 28 -1.687 10.444 2.462 238 HB3 ASN 28 3HB ASN 28 -1.131 8.817 2.086 239 HD21 ASN 28 1HD2 ASN 28 0.792 9.521 1.212 240 HD22 ASN 28 2HD2 ASN 28 0.905 10.362 -0.291 241 H GLN 29 H GLN 29 -3.846 9.602 -1.037 242 HA GLN 29 HA GLN 29 -4.165 6.820 -1.801 243 HB2 GLN 29 2HB GLN 29 -4.536 9.351 -3.462 244 HB3 GLN 29 3HB GLN 29 -5.005 7.734 -3.954 245 HG2 GLN 29 2HG GLN 29 -6.987 8.882 -3.301 246 HG3 GLN 29 3HG GLN 29 -6.645 7.693 -2.052 247 HE21 GLN 29 1HE2 GLN 29 -6.616 11.121 -2.817 248 HE22 GLN 29 2HE2 GLN 29 -6.593 11.676 -1.185 249 H PHE 30 H PHE 30 -1.774 9.344 -2.269 250 HA PHE 30 HA PHE 30 -0.118 7.549 -3.952 251 HB2 PHE 30 2HB PHE 30 -0.547 10.534 -4.445 252 HB3 PHE 30 3HB PHE 30 0.654 9.549 -5.277 253 HD1 PHE 30 HD2 PHE 30 -0.070 7.791 -6.894 254 HD2 PHE 30 HD1 PHE 30 -2.906 10.424 -5.066 255 HE1 PHE 30 HE2 PHE 30 -1.756 7.142 -8.563 256 HE2 PHE 30 HE1 PHE 30 -4.586 9.761 -6.738 257 HZ PHE 30 HZ PHE 30 -4.014 8.120 -8.482 258 HA PRO 31 HA PRO 31 2.544 9.006 -0.431 259 HB2 PRO 31 2HB PRO 31 3.616 6.593 0.226 260 HB3 PRO 31 3HB PRO 31 2.008 7.081 0.778 261 HG2 PRO 31 2HG PRO 31 2.760 5.278 -1.510 262 HG3 PRO 31 3HG PRO 31 1.482 5.068 -0.295 263 HD2 PRO 31 2HD PRO 31 1.031 6.034 -2.844 264 HD3 PRO 31 3HD PRO 31 -0.003 6.422 -1.453 265 H HIS 32 H HIS 32 4.893 9.045 -0.255 266 HA HIS 32 HA HIS 32 6.270 9.311 -2.759 267 HB2 HIS 32 2HB HIS 32 7.298 9.429 0.114 268 HB3 HIS 32 3HB HIS 32 8.284 9.808 -1.295 269 HD2 HIS 32 HD2 HIS 32 5.415 11.380 0.835 270 HE1 HIS 32 HE1 HIS 32 6.683 14.208 -2.054 271 HE2 HIS 32 HE2 HIS 32 5.365 13.863 0.077 272 H ASP 33 H ASP 33 8.069 8.068 -3.563 273 HA ASP 33 HA ASP 33 7.762 5.271 -3.424 274 HB2 ASP 33 2HB ASP 33 9.869 5.173 -4.790 275 HB3 ASP 33 3HB ASP 33 8.668 6.299 -5.415 276 H SER 34 H SER 34 10.063 7.386 -1.740 277 HA SER 34 HA SER 34 11.596 5.286 -0.506 278 HB2 SER 34 2HB SER 34 11.350 8.218 0.282 279 HB3 SER 34 3HB SER 34 12.567 7.090 0.884 280 HG SER 34 HG SER 34 12.327 7.388 -1.893 281 H GLU 35 H GLU 35 8.779 7.178 0.451 282 HA GLU 35 HA GLU 35 8.467 6.223 3.121 283 HB2 GLU 35 2HB GLU 35 7.386 8.261 2.398 284 HB3 GLU 35 3HB GLU 35 6.555 7.438 1.088 285 HG2 GLU 35 2HG GLU 35 5.080 6.312 2.647 286 HG3 GLU 35 3HG GLU 35 5.999 6.929 4.025 287 H ILE 36 H ILE 36 7.444 5.005 -0.017 288 HA ILE 36 HA ILE 36 5.794 2.861 0.834 289 HB ILE 36 HB ILE 36 7.305 3.431 -1.742 290 HG12 ILE 36 2HG1 ILE 36 4.330 3.417 -1.042 291 HG13 ILE 36 3HG1 ILE 36 5.336 4.846 -1.235 292 HG21 ILE 36 1HG2 ILE 36 7.242 0.994 -1.614 293 HG22 ILE 36 2HG2 ILE 36 6.111 1.556 -2.844 294 HG23 ILE 36 3HG2 ILE 36 5.511 1.028 -1.270 295 HD11 ILE 36 3HD1 ILE 36 4.578 2.894 -3.401 296 HD12 ILE 36 1HD1 ILE 36 5.614 4.310 -3.609 297 HD13 ILE 36 2HD1 ILE 36 3.924 4.511 -3.152 298 H ILE 37 H ILE 37 9.312 3.142 0.399 299 HA ILE 37 HA ILE 37 10.031 0.428 0.610 300 HB ILE 37 HB ILE 37 11.605 2.862 1.569 301 HG12 ILE 37 2HG1 ILE 37 11.705 1.374 -1.103 302 HG13 ILE 37 3HG1 ILE 37 10.993 2.961 -0.845 303 HG21 ILE 37 1HG2 ILE 37 13.627 1.448 1.365 304 HG22 ILE 37 2HG2 ILE 37 12.619 0.055 0.966 305 HG23 ILE 37 3HG2 ILE 37 12.510 0.797 2.564 306 HD11 ILE 37 3HD1 ILE 37 13.149 3.145 -1.903 307 HD12 ILE 37 1HD1 ILE 37 13.917 2.260 -0.586 308 HD13 ILE 37 2HD1 ILE 37 13.214 3.854 -0.291 309 H ARG 38 H ARG 38 9.327 2.814 3.157 310 HA ARG 38 HA ARG 38 9.798 1.226 5.448 311 HB2 ARG 38 2HB ARG 38 9.434 3.628 5.611 312 HB3 ARG 38 3HB ARG 38 7.816 3.482 4.950 313 HG2 ARG 38 2HG ARG 38 7.747 3.938 7.342 314 HG3 ARG 38 3HG ARG 38 7.055 2.356 7.001 315 HD2 ARG 38 2HD ARG 38 9.951 2.580 7.838 316 HD3 ARG 38 3HD ARG 38 8.678 2.680 9.053 317 HE ARG 38 HE ARG 38 8.037 0.418 7.720 318 HH11 ARG 38 1HH1 ARG 38 11.045 1.413 9.122 319 HH12 ARG 38 2HH1 ARG 38 11.482 -0.203 9.556 320 HH21 ARG 38 1HH2 ARG 38 8.637 -1.620 8.290 321 HH22 ARG 38 2HH2 ARG 38 10.140 -1.884 9.097 322 H LEU 39 H LEU 39 6.777 1.692 3.563 323 HA LEU 39 HA LEU 39 5.158 -0.188 4.907 324 HB2 LEU 39 2HB LEU 39 5.041 0.806 2.038 325 HB3 LEU 39 3HB LEU 39 3.787 -0.185 2.770 326 HG LEU 39 HG LEU 39 4.581 2.593 3.742 327 HD11 LEU 39 1HD1 LEU 39 2.444 3.364 2.794 328 HD12 LEU 39 2HD1 LEU 39 2.149 1.757 2.126 329 HD13 LEU 39 3HD1 LEU 39 3.507 2.722 1.543 330 HD21 LEU 39 3HD2 LEU 39 2.285 0.789 4.616 331 HD22 LEU 39 1HD2 LEU 39 2.541 2.458 5.140 332 HD23 LEU 39 2HD2 LEU 39 3.706 1.213 5.574 333 H MET 40 H MET 40 7.580 -0.669 2.388 334 HA MET 40 HA MET 40 6.927 -3.370 1.673 335 HB2 MET 40 2HB MET 40 9.510 -1.777 1.393 336 HB3 MET 40 3HB MET 40 9.298 -3.394 0.732 337 HG2 MET 40 2HG MET 40 7.716 -2.642 -0.865 338 HG3 MET 40 3HG MET 40 7.489 -1.101 -0.041 339 HE1 MET 40 3HE MET 40 10.029 -3.287 -2.144 340 HE2 MET 40 1HE MET 40 10.967 -2.863 -0.711 341 HE3 MET 40 2HE MET 40 11.392 -2.176 -2.279 342 H LYS 41 H LYS 41 9.065 -1.898 4.087 343 HA LYS 41 HA LYS 41 10.184 -4.391 5.044 344 HB2 LYS 41 2HB LYS 41 10.263 -1.566 6.171 345 HB3 LYS 41 3HB LYS 41 11.167 -2.919 6.848 346 HG2 LYS 41 2HG LYS 41 12.512 -3.125 4.857 347 HG3 LYS 41 3HG LYS 41 11.491 -1.983 3.978 348 HD2 LYS 41 2HD LYS 41 12.231 -0.164 5.491 349 HD3 LYS 41 3HD LYS 41 13.258 -1.307 6.366 350 HE2 LYS 41 2HE LYS 41 14.645 -1.646 4.400 351 HE3 LYS 41 3HE LYS 41 13.549 -0.695 3.400 352 HZ1 LYS 41 3HZ LYS 41 15.205 0.322 5.643 353 HZ2 LYS 41 1HZ LYS 41 14.113 1.249 4.744 354 HZ3 LYS 41 2HZ LYS 41 15.476 0.589 3.994 355 H ILE 42 H ILE 42 7.222 -2.770 5.620 356 HA ILE 42 HA ILE 42 6.658 -4.186 8.135 357 HB ILE 42 HB ILE 42 4.897 -2.375 6.415 358 HG12 ILE 42 2HG1 ILE 42 6.769 -1.192 7.579 359 HG13 ILE 42 3HG1 ILE 42 5.195 -0.685 8.179 360 HG21 ILE 42 1HG2 ILE 42 3.288 -2.372 8.313 361 HG22 ILE 42 2HG2 ILE 42 4.259 -3.603 9.125 362 HG23 ILE 42 3HG2 ILE 42 3.469 -3.972 7.592 363 HD11 ILE 42 3HD1 ILE 42 7.061 -2.624 9.561 364 HD12 ILE 42 1HD1 ILE 42 5.492 -2.079 10.167 365 HD13 ILE 42 2HD1 ILE 42 6.814 -0.930 9.975 366 H THR 43 H THR 43 5.502 -4.176 4.748 367 HA THR 43 HA THR 43 3.665 -6.368 5.100 368 HB THR 43 HB THR 43 3.319 -6.211 2.625 369 HG1 THR 43 HG1 THR 43 4.763 -3.917 2.234 370 HG21 THR 43 3HG2 THR 43 2.400 -3.915 2.538 371 HG22 THR 43 1HG2 THR 43 3.289 -3.502 4.006 372 HG23 THR 43 2HG2 THR 43 2.002 -4.707 4.063 373 H GLY 44 H GLY 44 6.686 -5.986 3.215 374 HA2 GLY 44 2HA GLY 44 8.325 -7.742 2.920 375 HA3 GLY 44 3HA GLY 44 7.047 -8.937 3.103 376 H LEU 45 H LEU 45 5.827 -6.468 1.287 377 HA LEU 45 HA LEU 45 6.060 -7.893 -1.254 378 HB2 LEU 45 2HB LEU 45 4.481 -5.404 -0.483 379 HB3 LEU 45 3HB LEU 45 4.335 -6.269 -2.005 380 HG LEU 45 HG LEU 45 3.628 -7.458 0.715 381 HD11 LEU 45 1HD1 LEU 45 2.089 -5.634 0.161 382 HD12 LEU 45 2HD1 LEU 45 1.275 -7.193 0.061 383 HD13 LEU 45 3HD1 LEU 45 1.767 -6.361 -1.416 384 HD21 LEU 45 3HD2 LEU 45 3.130 -8.531 -2.091 385 HD22 LEU 45 1HD2 LEU 45 2.553 -9.261 -0.589 386 HD23 LEU 45 2HD2 LEU 45 4.281 -9.178 -0.918 387 H THR 46 H THR 46 6.132 -6.219 -3.247 388 HA THR 46 HA THR 46 8.716 -4.816 -3.048 389 HB THR 46 HB THR 46 8.724 -4.790 -5.505 390 HG1 THR 46 HG1 THR 46 6.707 -6.223 -6.281 391 HG21 THR 46 3HG2 THR 46 9.506 -6.885 -4.451 392 HG22 THR 46 1HG2 THR 46 8.717 -7.211 -5.995 393 HG23 THR 46 2HG2 THR 46 7.860 -7.524 -4.485 394 H LYS 47 H LYS 47 8.917 -2.747 -4.333 395 HA LYS 47 HA LYS 47 7.093 -0.737 -3.491 396 HB2 LYS 47 2HB LYS 47 9.542 -0.414 -3.941 397 HB3 LYS 47 3HB LYS 47 9.229 -0.597 -5.660 398 HG2 LYS 47 2HG LYS 47 7.828 1.450 -5.623 399 HG3 LYS 47 3HG LYS 47 8.160 1.642 -3.897 400 HD2 LYS 47 2HD LYS 47 10.219 1.719 -6.146 401 HD3 LYS 47 3HD LYS 47 9.616 3.111 -5.243 402 HE2 LYS 47 2HE LYS 47 10.673 2.348 -3.217 403 HE3 LYS 47 3HE LYS 47 11.099 0.796 -3.942 404 HZ1 LYS 47 3HZ LYS 47 12.195 3.455 -4.669 405 HZ2 LYS 47 1HZ LYS 47 12.535 2.025 -5.502 406 HZ3 LYS 47 2HZ LYS 47 13.013 2.197 -3.894 407 H GLY 48 H GLY 48 7.483 -2.563 -6.483 408 HA2 GLY 48 2HA GLY 48 5.621 -1.182 -8.134 409 HA3 GLY 48 3HA GLY 48 6.191 -2.827 -8.362 410 H GLU 49 H GLU 49 5.260 -3.952 -5.929 411 HA GLU 49 HA GLU 49 2.577 -4.633 -6.361 412 HB2 GLU 49 2HB GLU 49 4.447 -4.844 -3.994 413 HB3 GLU 49 3HB GLU 49 2.750 -5.209 -3.736 414 HG2 GLU 49 2HG GLU 49 4.394 -6.590 -5.874 415 HG3 GLU 49 3HG GLU 49 4.310 -7.171 -4.209 416 H ILE 50 H ILE 50 3.964 -2.249 -4.119 417 HA ILE 50 HA ILE 50 1.455 -1.489 -2.948 418 HB ILE 50 HB ILE 50 4.224 -0.241 -2.748 419 HG12 ILE 50 2HG1 ILE 50 2.722 -2.163 -0.898 420 HG13 ILE 50 3HG1 ILE 50 4.095 -2.578 -1.916 421 HG21 ILE 50 1HG2 ILE 50 1.792 0.336 -1.012 422 HG22 ILE 50 2HG2 ILE 50 2.543 1.456 -2.149 423 HG23 ILE 50 3HG2 ILE 50 3.428 0.931 -0.718 424 HD11 ILE 50 3HD1 ILE 50 4.762 -2.384 0.388 425 HD12 ILE 50 1HD1 ILE 50 4.129 -0.742 0.478 426 HD13 ILE 50 2HD1 ILE 50 5.516 -1.099 -0.554 427 H LYS 51 H LYS 51 3.649 0.231 -5.255 428 HA LYS 51 HA LYS 51 2.149 2.543 -5.742 429 HB2 LYS 51 2HB LYS 51 4.095 0.956 -7.426 430 HB3 LYS 51 3HB LYS 51 3.194 2.244 -8.210 431 HG2 LYS 51 2HG LYS 51 4.966 2.628 -5.774 432 HG3 LYS 51 3HG LYS 51 5.461 2.935 -7.443 433 HD2 LYS 51 2HD LYS 51 3.583 4.618 -7.617 434 HD3 LYS 51 3HD LYS 51 3.260 4.369 -5.901 435 HE2 LYS 51 2HE LYS 51 4.589 6.386 -6.200 436 HE3 LYS 51 3HE LYS 51 5.565 5.166 -5.383 437 HZ1 LYS 51 3HZ LYS 51 6.602 4.662 -7.527 438 HZ2 LYS 51 1HZ LYS 51 6.830 6.277 -7.086 439 HZ3 LYS 51 2HZ LYS 51 5.687 5.875 -8.262 440 H LYS 52 H LYS 52 1.918 -0.613 -7.344 441 HA LYS 52 HA LYS 52 -0.228 -0.067 -9.109 442 HB2 LYS 52 2HB LYS 52 1.305 -1.967 -9.380 443 HB3 LYS 52 3HB LYS 52 0.751 -2.662 -7.863 444 HG2 LYS 52 2HG LYS 52 -1.516 -2.964 -8.895 445 HG3 LYS 52 3HG LYS 52 -0.854 -2.383 -10.424 446 HD2 LYS 52 2HD LYS 52 -0.943 -4.863 -10.344 447 HD3 LYS 52 3HD LYS 52 0.714 -4.274 -10.504 448 HE2 LYS 52 2HE LYS 52 1.125 -4.673 -8.126 449 HE3 LYS 52 3HE LYS 52 -0.559 -5.140 -7.880 450 HZ1 LYS 52 3HZ LYS 52 1.393 -6.573 -9.596 451 HZ2 LYS 52 1HZ LYS 52 -0.208 -7.034 -9.324 452 HZ3 LYS 52 2HZ LYS 52 0.905 -7.053 -8.053 453 H TRP 53 H TRP 53 -0.140 -1.348 -5.774 454 HA TRP 53 HA TRP 53 -2.793 -2.273 -5.569 455 HB2 TRP 53 2HB TRP 53 -0.937 -2.886 -3.979 456 HB3 TRP 53 3HB TRP 53 -1.017 -1.273 -3.284 457 HD1 TRP 53 HD1 TRP 53 -2.770 -4.648 -3.226 458 HE1 TRP 53 HE1 TRP 53 -4.589 -4.654 -1.424 459 HE3 TRP 53 HE3 TRP 53 -2.715 0.309 -1.975 460 HZ2 TRP 53 HZ2 TRP 53 -5.857 -2.820 0.280 461 HZ3 TRP 53 HZ3 TRP 53 -4.275 1.105 -0.257 462 HH2 TRP 53 HH2 TRP 53 -5.819 -0.433 0.847 463 H PHE 54 H PHE 54 -1.384 0.841 -4.505 464 HA PHE 54 HA PHE 54 -3.695 1.958 -3.343 465 HB2 PHE 54 2HB PHE 54 -1.106 3.131 -4.375 466 HB3 PHE 54 3HB PHE 54 -2.403 4.221 -3.909 467 HD1 PHE 54 HD1 PHE 54 -0.493 1.276 -2.536 468 HD2 PHE 54 HD2 PHE 54 -2.485 4.960 -1.696 469 HE1 PHE 54 HE1 PHE 54 0.198 1.121 -0.184 470 HE2 PHE 54 HE2 PHE 54 -1.792 4.795 0.649 471 HZ PHE 54 HZ PHE 54 -0.451 2.874 1.415 472 H SER 55 H SER 55 -2.570 2.007 -6.689 473 HA SER 55 HA SER 55 -4.536 3.828 -7.707 474 HB2 SER 55 2HB SER 55 -2.873 1.734 -9.168 475 HB3 SER 55 3HB SER 55 -3.793 3.023 -9.938 476 HG SER 55 HG SER 55 -2.405 4.388 -8.376 477 H ASP 56 H ASP 56 -4.389 0.248 -7.523 478 HA ASP 56 HA ASP 56 -6.827 -0.192 -8.988 479 HB2 ASP 56 2HB ASP 56 -5.229 -2.070 -7.206 480 HB3 ASP 56 3HB ASP 56 -6.607 -2.578 -8.184 481 H THR 57 H THR 57 -6.081 0.166 -5.588 482 HA THR 57 HA THR 57 -8.651 -0.564 -4.539 483 HB THR 57 HB THR 57 -6.448 1.155 -3.290 484 HG1 THR 57 HG1 THR 57 -5.469 -0.726 -3.268 485 HG21 THR 57 3HG2 THR 57 -8.600 1.423 -2.075 486 HG22 THR 57 1HG2 THR 57 -7.425 0.523 -1.109 487 HG23 THR 57 2HG2 THR 57 -8.732 -0.331 -1.932 488 H ARG 58 H ARG 58 -7.123 2.478 -5.523 489 HA ARG 58 HA ARG 58 -9.199 4.293 -4.982 490 HB2 ARG 58 2HB ARG 58 -6.885 4.938 -5.444 491 HB3 ARG 58 3HB ARG 58 -6.994 4.294 -7.076 492 HG2 ARG 58 2HG ARG 58 -8.523 6.046 -7.726 493 HG3 ARG 58 3HG ARG 58 -8.630 6.625 -6.062 494 HD2 ARG 58 2HD ARG 58 -6.345 7.397 -6.090 495 HD3 ARG 58 3HD ARG 58 -6.023 6.576 -7.618 496 HE ARG 58 HE ARG 58 -7.089 8.267 -8.767 497 HH11 ARG 58 1HH1 ARG 58 -7.465 8.915 -5.388 498 HH12 ARG 58 2HH1 ARG 58 -7.928 10.558 -5.658 499 HH21 ARG 58 1HH2 ARG 58 -7.678 10.356 -9.072 500 HH22 ARG 58 2HH2 ARG 58 -8.051 11.352 -7.710 501 H TYR 59 H TYR 59 -8.532 2.255 -7.792 502 HA TYR 59 HA TYR 59 -10.711 3.041 -9.439 503 HB2 TYR 59 2HB TYR 59 -8.859 1.912 -10.467 504 HB3 TYR 59 3HB TYR 59 -8.943 0.569 -9.335 505 HD1 TYR 59 HD2 TYR 59 -10.712 2.145 -12.243 506 HD2 TYR 59 HD1 TYR 59 -10.288 -1.367 -9.834 507 HE1 TYR 59 HE2 TYR 59 -12.086 0.871 -13.837 508 HE2 TYR 59 HE1 TYR 59 -11.663 -2.629 -11.431 509 HH TYR 59 HH TYR 59 -12.435 -1.493 -14.515 510 H ASN 60 H ASN 60 -10.334 0.577 -6.949 511 HA ASN 60 HA ASN 60 -12.659 -0.942 -7.505 512 HB2 ASN 60 2HB ASN 60 -10.543 -1.661 -6.237 513 HB3 ASN 60 3HB ASN 60 -11.184 -0.813 -4.842 514 HD21 ASN 60 1HD2 ASN 60 -10.541 -3.642 -5.212 515 HD22 ASN 60 2HD2 ASN 60 -11.986 -4.516 -4.863 516 H GLN 61 H GLN 61 -12.033 1.670 -5.139 517 HA GLN 61 HA GLN 61 -14.596 1.564 -3.896 518 HB2 GLN 61 2HB GLN 61 -12.243 3.408 -3.753 519 HB3 GLN 61 3HB GLN 61 -13.783 4.092 -3.251 520 HG2 GLN 61 2HG GLN 61 -12.581 3.216 -1.326 521 HG3 GLN 61 3HG GLN 61 -14.064 2.304 -1.587 522 HE21 GLN 61 1HE2 GLN 61 -13.896 0.127 -2.315 523 HE22 GLN 61 2HE2 GLN 61 -12.414 -0.747 -2.199 524 H ARG 62 H ARG 62 -13.367 3.673 -6.549 525 HA ARG 62 HA ARG 62 -16.033 4.026 -7.549 526 HB2 ARG 62 2HB ARG 62 -16.019 6.595 -7.324 527 HB3 ARG 62 3HB ARG 62 -16.362 5.653 -5.881 528 HG2 ARG 62 2HG ARG 62 -13.693 5.962 -5.538 529 HG3 ARG 62 3HG ARG 62 -14.017 7.411 -6.493 530 HD2 ARG 62 2HD ARG 62 -14.134 7.852 -4.048 531 HD3 ARG 62 3HD ARG 62 -15.688 8.146 -4.843 532 HE ARG 62 HE ARG 62 -16.417 5.937 -4.020 533 HH11 ARG 62 1HH1 ARG 62 -13.781 7.409 -2.306 534 HH12 ARG 62 2HH1 ARG 62 -14.070 6.457 -0.893 535 HH21 ARG 62 1HH2 ARG 62 -16.716 4.744 -2.225 536 HH22 ARG 62 2HH2 ARG 62 -15.690 4.970 -0.850 537 H ASN 63 H ASN 63 -12.749 5.546 -7.757 538 HA ASN 63 HA ASN 63 -11.519 6.366 -9.489 539 HB2 ASN 63 2HB ASN 63 -11.780 3.918 -10.218 540 HB3 ASN 63 3HB ASN 63 -13.086 4.439 -11.271 541 HD21 ASN 63 1HD2 ASN 63 -11.999 3.745 -13.129 542 HD22 ASN 63 2HD2 ASN 63 -10.606 4.555 -13.747 543 H SER 64 H SER 64 -11.868 7.325 -11.991 544 HA SER 64 HA SER 64 -14.581 8.380 -12.383 545 HB2 SER 64 2HB SER 64 -13.305 10.171 -11.183 546 HB3 SER 64 3HB SER 64 -12.136 10.192 -12.501 547 HG SER 64 HG SER 64 -14.861 10.934 -12.545 548 H LYS 65 H LYS 65 -11.275 8.385 -13.851 549 HA LYS 65 HA LYS 65 -12.158 6.967 -16.186 550 HB2 LYS 65 2HB LYS 65 -11.708 8.709 -17.896 551 HB3 LYS 65 3HB LYS 65 -13.030 9.182 -16.837 552 HG2 LYS 65 2HG LYS 65 -11.632 10.746 -15.653 553 HG3 LYS 65 3HG LYS 65 -10.182 10.166 -16.475 554 HD2 LYS 65 2HD LYS 65 -11.106 11.011 -18.638 555 HD3 LYS 65 3HD LYS 65 -12.510 11.647 -17.771 556 HE2 LYS 65 2HE LYS 65 -10.814 13.403 -18.229 557 HE3 LYS 65 3HE LYS 65 -11.070 13.171 -16.500 558 HZ1 LYS 65 3HZ LYS 65 -9.044 11.867 -16.403 559 HZ2 LYS 65 1HZ LYS 65 -8.730 13.385 -17.062 560 HZ3 LYS 65 2HZ LYS 65 -8.813 12.036 -18.065 561 H SER 66 H SER 66 -9.577 8.924 -14.713 562 HA SER 66 HA SER 66 -7.499 7.429 -16.232 563 HB2 SER 66 2HB SER 66 -7.333 10.280 -15.155 564 HB3 SER 66 3HB SER 66 -6.104 9.455 -16.114 565 HG SER 66 HG SER 66 -7.301 9.677 -17.879 566 H ASN 67 H ASN 67 -8.760 7.874 -13.142 567 HA ASN 67 HA ASN 67 -8.187 7.270 -11.045 568 HB2 ASN 67 2HB ASN 67 -7.586 5.159 -12.410 569 HB3 ASN 67 3HB ASN 67 -5.906 5.652 -12.250 570 HD21 ASN 67 1HD2 ASN 67 -8.728 4.503 -10.545 571 HD22 ASN 67 2HD2 ASN 67 -7.891 3.977 -9.131 572 H GLN 68 H GLN 68 -6.859 9.641 -12.278 573 HA GLN 68 HA GLN 68 -5.196 11.133 -12.163 574 HB2 GLN 68 2HB GLN 68 -6.028 11.348 -9.841 575 HB3 GLN 68 3HB GLN 68 -4.881 10.121 -9.313 576 HG2 GLN 68 2HG GLN 68 -3.011 11.619 -10.026 577 HG3 GLN 68 3HG GLN 68 -4.195 12.856 -10.441 578 HE21 GLN 68 1HE2 GLN 68 -1.997 12.888 -8.487 579 HE22 GLN 68 2HE2 GLN 68 -2.716 13.295 -6.971 580 H CYS 69 H CYS 69 -3.923 10.044 -13.753 581 HA CYS 69 HA CYS 69 -1.609 8.469 -13.004 582 HB2 CYS 69 2HB CYS 69 -0.933 8.750 -15.370 583 HB3 CYS 69 3HB CYS 69 -2.620 8.265 -15.255 584 HG CYS 69 HG CYS 69 -1.335 10.815 -16.824 585 H LEU 70 H LEU 70 -2.384 11.774 -12.860 586 HA LEU 70 HA LEU 70 0.194 12.937 -13.340 587 HB2 LEU 70 2HB LEU 70 -2.270 14.132 -12.022 588 HB3 LEU 70 3HB LEU 70 -0.842 15.036 -12.505 589 HG LEU 70 HG LEU 70 -2.837 13.661 -14.349 590 HD11 LEU 70 1HD1 LEU 70 -2.135 16.592 -13.991 591 HD12 LEU 70 2HD1 LEU 70 -3.616 15.799 -13.451 592 HD13 LEU 70 3HD1 LEU 70 -3.275 15.940 -15.173 593 HD21 LEU 70 3HD2 LEU 70 -0.239 15.055 -15.104 594 HD22 LEU 70 1HD2 LEU 70 -1.496 14.554 -16.240 595 HD23 LEU 70 2HD2 LEU 70 -0.616 13.341 -15.314 596 H HIS 71 H HIS 71 1.770 13.441 -11.959 597 HA HIS 71 HA HIS 71 1.345 13.270 -9.022 598 HB2 HIS 71 2HB HIS 71 3.870 12.748 -10.663 599 HB3 HIS 71 3HB HIS 71 3.871 12.909 -8.911 600 HD1 HIS 71 HD1 HIS 71 3.190 10.886 -7.544 601 HD2 HIS 71 HD2 HIS 71 2.604 10.332 -11.625 602 HE1 HIS 71 HE1 HIS 71 2.656 8.455 -7.820 603 HE2 HIS 71 HE2 HIS 71 2.563 8.107 -10.304 604 H LEU 72 H LEU 72 1.610 15.163 -7.932 605 HA LEU 72 HA LEU 72 2.192 17.656 -9.135 606 HB2 LEU 72 2HB LEU 72 0.909 17.206 -6.980 607 HB3 LEU 72 3HB LEU 72 2.440 16.943 -6.174 608 HG LEU 72 HG LEU 72 1.799 19.605 -7.515 609 HD11 LEU 72 1HD1 LEU 72 1.136 18.860 -4.646 610 HD12 LEU 72 2HD1 LEU 72 -0.028 19.178 -5.933 611 HD13 LEU 72 3HD1 LEU 72 1.010 20.476 -5.350 612 HD21 LEU 72 3HD2 LEU 72 3.413 20.532 -5.896 613 HD22 LEU 72 1HD2 LEU 72 4.155 19.291 -6.903 614 HD23 LEU 72 2HD2 LEU 72 3.693 18.916 -5.242 615 H ASN 73 H ASN 73 4.113 18.809 -9.359 616 HA ASN 73 HA ASN 73 6.504 17.406 -9.728 617 HB2 ASN 73 2HB ASN 73 6.069 20.405 -9.449 618 HB3 ASN 73 3HB ASN 73 7.567 19.672 -10.016 619 HD21 ASN 73 1HD2 ASN 73 7.418 20.728 -12.008 620 HD22 ASN 73 2HD2 ASN 73 6.273 20.268 -13.217 621 H ASN 74 H ASN 74 7.114 16.294 -7.847 622 HA ASN 74 HA ASN 74 7.846 17.746 -5.410 623 HB2 ASN 74 2HB ASN 74 8.360 15.372 -4.555 624 HB3 ASN 74 3HB ASN 74 6.680 15.735 -4.935 625 HD21 ASN 74 1HD2 ASN 74 9.448 13.830 -5.800 626 HD22 ASN 74 2HD2 ASN 74 8.646 12.807 -6.936
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