NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
631688 | 5zb6 | 16864 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 24 HT3 MET 24 3.518 -2.872 -2.623 2 HA MET 24 HA MET 24 3.747 -4.027 -0.480 3 HB2 MET 24 HB2 MET 24 1.062 -5.136 -1.311 4 HB3 MET 24 HB1 MET 24 2.089 -5.887 -0.098 5 HG2 MET 24 HG2 MET 24 1.965 -3.839 1.250 6 HG3 MET 24 HG1 MET 24 0.890 -3.131 0.046 7 HE1 MET 24 HE1 MET 24 -0.203 -6.839 2.573 8 HE2 MET 24 HE2 MET 24 1.323 -5.971 2.732 9 HE3 MET 24 HE3 MET 24 0.973 -6.877 1.259 10 H ALA 25 HN ALA 25 5.467 -4.990 -1.199 11 HA ALA 25 HA ALA 25 5.475 -7.513 -2.382 12 HB1 ALA 25 HB1 ALA 25 6.392 -7.068 -4.598 13 HB2 ALA 25 HB2 ALA 25 6.229 -5.331 -4.335 14 HB3 ALA 25 HB3 ALA 25 4.790 -6.347 -4.442 15 H GLU 26 HN GLU 26 6.817 -7.421 -0.417 16 HA GLU 26 HA GLU 26 9.204 -5.838 -0.432 17 HB2 GLU 26 HB2 GLU 26 8.202 -8.013 1.389 18 HB3 GLU 26 HB1 GLU 26 9.786 -7.277 1.593 19 HG2 GLU 26 HG2 GLU 26 8.675 -5.071 1.794 20 HG3 GLU 26 HG1 GLU 26 7.118 -5.896 1.728 21 H HIS 27 HN HIS 27 10.896 -6.249 -1.614 22 HA HIS 27 HA HIS 27 11.740 -9.035 -2.003 23 HB2 HIS 27 HB2 HIS 27 12.571 -6.494 -3.426 24 HB3 HIS 27 HB1 HIS 27 13.335 -8.057 -3.688 25 HD1 HIS 27 HD1 HIS 27 12.037 -9.807 -5.065 26 HD2 HIS 27 HD2 HIS 27 10.019 -6.195 -4.588 27 HE1 HIS 27 HE1 HIS 27 10.132 -9.866 -6.710 28 HE2 HIS 27 HE2 HIS 27 8.847 -7.734 -6.317 29 H GLN 28 HN GLN 28 13.015 -9.677 -0.383 30 HA GLN 28 HA GLN 28 14.543 -7.664 1.079 31 HB2 GLN 28 HB2 GLN 28 12.954 -9.667 1.972 32 HB3 GLN 28 HB1 GLN 28 14.517 -10.465 2.025 33 HG2 GLN 28 HG2 GLN 28 13.839 -7.864 3.379 34 HG3 GLN 28 HG1 GLN 28 13.909 -9.440 4.163 35 HE21 GLN 28 HE21 GLN 28 15.718 -6.801 2.853 36 HE22 GLN 28 HE22 GLN 28 17.275 -7.324 3.413 37 H LEU 29 HN LEU 29 16.643 -7.441 0.846 38 HA LEU 29 HA LEU 29 18.187 -9.636 -0.355 39 HB2 LEU 29 HB2 LEU 29 18.671 -6.655 -0.381 40 HB3 LEU 29 HB1 LEU 29 19.886 -7.821 -0.859 41 HG LEU 29 HG LEU 29 18.185 -8.624 -2.607 42 HD11 LEU 29 HD11 LEU 29 16.217 -7.521 -1.681 43 HD12 LEU 29 HD12 LEU 29 16.542 -6.971 -3.323 44 HD13 LEU 29 HD13 LEU 29 16.962 -5.945 -1.952 45 HD21 LEU 29 HD21 LEU 29 20.189 -7.401 -3.184 46 HD22 LEU 29 HD22 LEU 29 19.399 -5.872 -2.798 47 HD23 LEU 29 HD23 LEU 29 18.837 -6.836 -4.164 48 H GLY 30 HN GLY 30 19.651 -10.602 0.897 49 HA2 GLY 30 HA2 GLY 30 19.973 -9.675 3.621 50 HA3 GLY 30 HA1 GLY 30 20.563 -11.190 2.954 51 HA PRO 31 HA PRO 31 24.101 -8.167 3.566 52 HB2 PRO 31 HB2 PRO 31 25.292 -10.312 5.159 53 HB3 PRO 31 HB1 PRO 31 24.995 -8.628 5.598 54 HG2 PRO 31 HG2 PRO 31 23.597 -10.667 6.676 55 HG3 PRO 31 HG1 PRO 31 22.883 -9.069 6.395 56 HD2 PRO 31 HD2 PRO 31 22.613 -11.575 4.773 57 HD3 PRO 31 HD1 PRO 31 21.374 -10.378 5.209 58 H ILE 32 HN ILE 32 24.578 -8.532 1.374 59 HA ILE 32 HA ILE 32 25.861 -10.939 0.492 60 HB ILE 32 HB ILE 32 25.638 -8.233 -0.840 61 HG12 ILE 32 HG12 ILE 32 24.072 -10.790 -1.258 62 HG13 ILE 32 HG11 ILE 32 23.481 -9.350 -0.435 63 HG21 ILE 32 HG21 ILE 32 26.523 -10.877 -1.986 64 HG22 ILE 32 HG22 ILE 32 27.537 -9.457 -1.728 65 HG23 ILE 32 HG23 ILE 32 26.232 -9.407 -2.914 66 HD11 ILE 32 HD11 ILE 32 23.648 -8.087 -2.505 67 HD12 ILE 32 HD12 ILE 32 22.631 -9.514 -2.711 68 HD13 ILE 32 HD13 ILE 32 24.282 -9.510 -3.331 69 H ALA 33 HN ALA 33 26.919 -7.685 1.349 70 HA ALA 33 HA ALA 33 29.581 -8.682 1.915 71 HB1 ALA 33 HB1 ALA 33 29.149 -6.411 -0.029 72 HB2 ALA 33 HB2 ALA 33 29.729 -8.023 -0.449 73 HB3 ALA 33 HB3 ALA 33 30.706 -6.974 0.578 74 H GLY 34 HN GLY 34 30.931 -6.699 2.787 75 HA2 GLY 34 HA2 GLY 34 29.584 -5.726 5.055 76 HA3 GLY 34 HA1 GLY 34 31.129 -5.137 4.463 77 H ALA 35 HN ALA 35 30.283 -4.196 1.961 78 HA ALA 35 HA ALA 35 29.551 -1.578 2.625 79 HB1 ALA 35 HB1 ALA 35 29.444 -1.171 0.232 80 HB2 ALA 35 HB2 ALA 35 29.421 -2.908 -0.077 81 HB3 ALA 35 HB3 ALA 35 30.848 -2.159 0.638 82 H ILE 36 HN ILE 36 27.557 -4.312 1.696 83 HA ILE 36 HA ILE 36 25.322 -2.869 0.777 84 HB ILE 36 HB ILE 36 25.804 -5.383 0.505 85 HG12 ILE 36 HG12 ILE 36 22.990 -4.551 1.248 86 HG13 ILE 36 HG11 ILE 36 23.766 -4.167 -0.284 87 HG21 ILE 36 HG21 ILE 36 24.287 -5.491 3.111 88 HG22 ILE 36 HG22 ILE 36 25.990 -5.897 2.903 89 HG23 ILE 36 HG23 ILE 36 24.750 -6.867 2.109 90 HD11 ILE 36 HD11 ILE 36 23.841 -6.445 -0.916 91 HD12 ILE 36 HD12 ILE 36 22.210 -6.130 -0.318 92 HD13 ILE 36 HD13 ILE 36 23.380 -6.977 0.700 93 H LYS 37 HN LYS 37 26.456 -3.552 3.965 94 HA LYS 37 HA LYS 37 24.027 -3.397 5.373 95 HB2 LYS 37 HB2 LYS 37 26.661 -3.896 6.006 96 HB3 LYS 37 HB1 LYS 37 26.363 -2.354 6.793 97 HG2 LYS 37 HG2 LYS 37 24.556 -4.722 7.157 98 HG3 LYS 37 HG1 LYS 37 25.972 -4.440 8.170 99 HD2 LYS 37 HD2 LYS 37 23.694 -2.491 7.811 100 HD3 LYS 37 HD1 LYS 37 23.860 -3.610 9.167 101 HE2 LYS 37 HE2 LYS 37 26.078 -2.562 9.653 102 HE3 LYS 37 HE1 LYS 37 25.714 -1.353 8.420 103 HZ1 LYS 37 HZ1 LYS 37 24.139 -1.862 10.887 104 HZ2 LYS 37 HZ2 LYS 37 23.752 -0.712 9.699 105 HZ3 LYS 37 HZ3 LYS 37 25.170 -0.545 10.617 106 H SER 38 HN SER 38 26.089 -0.958 4.009 107 HA SER 38 HA SER 38 25.225 1.246 5.525 108 HB2 SER 38 HB2 SER 38 26.308 1.092 2.705 109 HB3 SER 38 HB1 SER 38 26.083 2.594 3.602 110 HG SER 38 HG SER 38 27.791 2.165 4.776 111 H LYS 39 HN LYS 39 24.049 -0.055 2.409 112 HA LYS 39 HA LYS 39 22.049 1.902 2.048 113 HB2 LYS 39 HB2 LYS 39 21.219 0.636 0.276 114 HB3 LYS 39 HB1 LYS 39 22.918 0.194 0.318 115 HG2 LYS 39 HG2 LYS 39 22.445 -1.903 1.300 116 HG3 LYS 39 HG1 LYS 39 20.778 -1.439 1.646 117 HD2 LYS 39 HD2 LYS 39 20.397 -1.259 -0.815 118 HD3 LYS 39 HD1 LYS 39 22.015 -1.914 -1.063 119 HE2 LYS 39 HE2 LYS 39 21.390 -3.953 0.111 120 HE3 LYS 39 HE1 LYS 39 19.786 -3.296 0.427 121 HZ1 LYS 39 HZ1 LYS 39 20.911 -3.852 -2.266 122 HZ2 LYS 39 HZ2 LYS 39 19.361 -3.259 -1.942 123 HZ3 LYS 39 HZ3 LYS 39 19.787 -4.821 -1.451 124 H VAL 40 HN VAL 40 22.176 -1.008 3.935 125 HA VAL 40 HA VAL 40 19.432 -1.423 4.347 126 HB VAL 40 HB VAL 40 21.732 -2.100 6.192 127 HG11 VAL 40 HG11 VAL 40 20.230 -3.818 7.101 128 HG12 VAL 40 HG12 VAL 40 18.926 -3.207 6.080 129 HG13 VAL 40 HG13 VAL 40 19.594 -2.192 7.357 130 HG21 VAL 40 HG21 VAL 40 21.592 -4.332 5.147 131 HG22 VAL 40 HG22 VAL 40 22.045 -3.072 3.999 132 HG23 VAL 40 HG23 VAL 40 20.398 -3.702 4.011 133 H GLU 41 HN GLU 41 21.722 0.740 5.898 134 HA GLU 41 HA GLU 41 20.143 1.560 8.077 135 HB2 GLU 41 HB2 GLU 41 22.045 3.299 6.492 136 HB3 GLU 41 HB1 GLU 41 21.582 3.494 8.177 137 HG2 GLU 41 HG2 GLU 41 23.141 1.168 7.081 138 HG3 GLU 41 HG1 GLU 41 23.846 2.576 7.869 139 H ALA 42 HN ALA 42 20.357 2.697 4.752 140 HA ALA 42 HA ALA 42 18.569 4.871 4.955 141 HB1 ALA 42 HB1 ALA 42 20.184 4.669 3.133 142 HB2 ALA 42 HB2 ALA 42 18.539 4.830 2.515 143 HB3 ALA 42 HB3 ALA 42 19.325 3.252 2.527 144 H ALA 43 HN ALA 43 18.028 1.492 4.813 145 HA ALA 43 HA ALA 43 15.605 1.388 3.396 146 HB1 ALA 43 HB1 ALA 43 16.956 -0.589 3.834 147 HB2 ALA 43 HB2 ALA 43 15.297 -0.809 4.388 148 HB3 ALA 43 HB3 ALA 43 16.577 -0.478 5.553 149 H LEU 44 HN LEU 44 16.265 2.455 6.596 150 HA LEU 44 HA LEU 44 13.588 2.070 7.583 151 HB2 LEU 44 HB2 LEU 44 15.956 3.605 8.632 152 HB3 LEU 44 HB1 LEU 44 14.392 3.651 9.418 153 HG LEU 44 HG LEU 44 15.720 2.082 10.603 154 HD11 LEU 44 HD11 LEU 44 13.868 0.562 8.785 155 HD12 LEU 44 HD12 LEU 44 13.410 1.416 10.259 156 HD13 LEU 44 HD13 LEU 44 14.476 0.014 10.346 157 HD21 LEU 44 HD21 LEU 44 17.448 1.668 8.968 158 HD22 LEU 44 HD22 LEU 44 16.313 0.782 7.951 159 HD23 LEU 44 HD23 LEU 44 16.775 0.135 9.526 160 H SER 45 HN SER 45 14.909 4.169 5.394 161 HA SER 45 HA SER 45 12.934 6.268 5.996 162 HB2 SER 45 HB2 SER 45 15.386 6.459 4.223 163 HB3 SER 45 HB1 SER 45 14.327 7.784 4.705 164 HG SER 45 HG SER 45 15.342 6.367 6.820 165 HA PRO 46 HA PRO 46 10.752 5.091 2.286 166 HB2 PRO 46 HB2 PRO 46 9.693 7.505 1.574 167 HB3 PRO 46 HB1 PRO 46 9.045 6.498 2.874 168 HG2 PRO 46 HG2 PRO 46 10.833 8.889 3.042 169 HG3 PRO 46 HG1 PRO 46 9.462 8.439 4.072 170 HD2 PRO 46 HD2 PRO 46 12.040 8.044 4.814 171 HD3 PRO 46 HD1 PRO 46 10.721 6.972 5.324 172 H THR 47 HN THR 47 12.166 4.554 0.699 173 HA THR 47 HA THR 47 12.880 6.443 -1.289 174 HB THR 47 HB THR 47 14.517 7.042 0.519 175 HG1 THR 47 HG1 THR 47 15.438 7.630 -1.299 176 HG21 THR 47 HG21 THR 47 16.383 5.529 0.972 177 HG22 THR 47 HG22 THR 47 15.638 4.294 -0.041 178 HG23 THR 47 HG23 THR 47 14.849 4.800 1.453 179 H HIS 48 HN HIS 48 14.764 5.329 -2.678 180 HA HIS 48 HA HIS 48 14.277 2.421 -2.791 181 HB2 HIS 48 HB2 HIS 48 12.998 3.412 -4.602 182 HB3 HIS 48 HB1 HIS 48 14.368 4.399 -5.092 183 HD1 HIS 48 HD1 HIS 48 12.972 0.935 -5.345 184 HD2 HIS 48 HD2 HIS 48 16.291 3.074 -6.666 185 HE1 HIS 48 HE1 HIS 48 14.065 -0.509 -7.091 186 HE2 HIS 48 HE2 HIS 48 15.958 0.883 -8.008 187 H PHE 49 HN PHE 49 16.141 1.286 -2.719 188 HA PHE 49 HA PHE 49 18.621 2.745 -3.303 189 HB2 PHE 49 HB2 PHE 49 19.602 1.286 -1.392 190 HB3 PHE 49 HB1 PHE 49 18.651 2.706 -0.977 191 HD1 PHE 49 HD1 PHE 49 16.427 2.481 -0.017 192 HD2 PHE 49 HD2 PHE 49 18.780 -0.943 -0.944 193 HE1 PHE 49 HE1 PHE 49 14.946 1.089 1.370 194 HE2 PHE 49 HE2 PHE 49 17.301 -2.337 0.439 195 HZ PHE 49 HZ PHE 49 15.381 -1.323 1.596 196 H LYS 50 HN LYS 50 19.709 1.880 -4.859 197 HA LYS 50 HA LYS 50 19.596 -1.030 -5.292 198 HB2 LYS 50 HB2 LYS 50 18.831 0.164 -7.234 199 HB3 LYS 50 HB1 LYS 50 20.199 1.267 -7.163 200 HG2 LYS 50 HG2 LYS 50 21.653 -0.798 -7.544 201 HG3 LYS 50 HG1 LYS 50 20.153 -1.611 -8.000 202 HD2 LYS 50 HD2 LYS 50 19.769 -0.063 -9.777 203 HD3 LYS 50 HD1 LYS 50 21.094 0.970 -9.236 204 HE2 LYS 50 HE2 LYS 50 22.622 -1.005 -9.660 205 HE3 LYS 50 HE1 LYS 50 21.253 -1.771 -10.468 206 HZ1 LYS 50 HZ1 LYS 50 22.396 0.867 -11.217 207 HZ2 LYS 50 HZ2 LYS 50 21.171 0.024 -12.037 208 HZ3 LYS 50 HZ3 LYS 50 22.746 -0.597 -12.006 209 H LEU 51 HN LEU 51 21.313 -2.022 -4.467 210 HA LEU 51 HA LEU 51 23.947 -0.776 -4.823 211 HB2 LEU 51 HB2 LEU 51 23.237 -0.640 -2.457 212 HB3 LEU 51 HB1 LEU 51 23.044 -2.381 -2.424 213 HG LEU 51 HG LEU 51 25.722 -1.187 -3.076 214 HD11 LEU 51 HD11 LEU 51 24.575 -1.615 -0.319 215 HD12 LEU 51 HD12 LEU 51 25.017 -0.068 -1.042 216 HD13 LEU 51 HD13 LEU 51 26.265 -1.260 -0.681 217 HD21 LEU 51 HD21 LEU 51 25.374 -3.609 -3.357 218 HD22 LEU 51 HD22 LEU 51 24.886 -3.725 -1.667 219 HD23 LEU 51 HD23 LEU 51 26.536 -3.254 -2.078 220 H ILE 52 HN ILE 52 25.126 -1.955 -6.151 221 HA ILE 52 HA ILE 52 24.877 -4.877 -5.947 222 HB ILE 52 HB ILE 52 25.585 -5.067 -8.312 223 HG12 ILE 52 HG12 ILE 52 25.022 -2.101 -8.482 224 HG13 ILE 52 HG11 ILE 52 26.642 -2.797 -8.446 225 HG21 ILE 52 HG21 ILE 52 23.237 -5.241 -7.716 226 HG22 ILE 52 HG22 ILE 52 23.423 -4.468 -9.291 227 HG23 ILE 52 HG23 ILE 52 23.052 -3.494 -7.869 228 HD11 ILE 52 HD11 ILE 52 24.543 -3.268 -10.557 229 HD12 ILE 52 HD12 ILE 52 26.144 -4.006 -10.519 230 HD13 ILE 52 HD13 ILE 52 25.984 -2.262 -10.711 231 H ASN 53 HN ASN 53 26.629 -5.852 -5.292 232 HA ASN 53 HA ASN 53 29.225 -4.538 -5.692 233 HB2 ASN 53 HB2 ASN 53 28.812 -4.236 -3.403 234 HB3 ASN 53 HB1 ASN 53 28.094 -5.833 -3.221 235 HD21 ASN 53 HD21 ASN 53 31.048 -4.012 -3.411 236 HD22 ASN 53 HD22 ASN 53 32.098 -5.284 -2.880 237 H ASP 54 HN ASP 54 30.313 -5.692 -7.100 238 HA ASP 54 HA ASP 54 29.869 -8.573 -7.284 239 HB2 ASP 54 HB2 ASP 54 29.902 -7.065 -9.312 240 HB3 ASP 54 HB1 ASP 54 31.614 -6.820 -9.015 241 H SER 55 HN SER 55 32.573 -6.306 -7.132 242 HA SER 55 HA SER 55 34.719 -6.476 -6.473 243 HB2 SER 55 HB2 SER 55 33.488 -8.410 -4.498 244 HB3 SER 55 HB1 SER 55 35.115 -7.739 -4.369 245 HG SER 55 HG SER 55 33.575 -6.532 -3.147 246 H HIS 56 HN HIS 56 36.374 -8.440 -5.647 247 HA HIS 56 HA HIS 56 36.166 -10.848 -7.125 248 HB2 HIS 56 HB2 HIS 56 36.613 -9.130 -8.961 249 HB3 HIS 56 HB1 HIS 56 38.189 -8.881 -8.222 250 HD1 HIS 56 HD1 HIS 56 39.460 -9.781 -10.279 251 HD2 HIS 56 HD2 HIS 56 36.790 -12.505 -8.620 252 HE1 HIS 56 HE1 HIS 56 39.975 -11.984 -11.369 253 HE2 HIS 56 HE2 HIS 56 38.210 -13.565 -10.505 254 H LYS 57 HN LYS 57 37.103 -12.134 -5.712 255 HA LYS 57 HA LYS 57 39.002 -11.197 -3.798 256 HB2 LYS 57 HB2 LYS 57 38.109 -14.008 -4.470 257 HB3 LYS 57 HB1 LYS 57 39.068 -13.561 -3.065 258 HG2 LYS 57 HG2 LYS 57 37.233 -12.193 -2.232 259 HG3 LYS 57 HG1 LYS 57 36.268 -12.613 -3.647 260 HD2 LYS 57 HD2 LYS 57 36.287 -14.957 -2.993 261 HD3 LYS 57 HD1 LYS 57 37.321 -14.578 -1.612 262 HE2 LYS 57 HE2 LYS 57 35.554 -13.138 -0.703 263 HE3 LYS 57 HE1 LYS 57 34.523 -13.546 -2.071 264 HZ1 LYS 57 HZ1 LYS 57 35.584 -15.526 -0.125 265 HZ2 LYS 57 HZ2 LYS 57 34.454 -15.818 -1.355 266 HZ3 LYS 57 HZ3 LYS 57 34.039 -14.833 -0.039 267 H HIS 58 HN HIS 58 41.171 -11.886 -3.544 268 HA HIS 58 HA HIS 58 42.474 -12.433 -6.113 269 HB2 HIS 58 HB2 HIS 58 43.694 -11.463 -3.510 270 HB3 HIS 58 HB1 HIS 58 44.538 -11.630 -5.043 271 HD1 HIS 58 HD1 HIS 58 44.412 -8.920 -3.537 272 HD2 HIS 58 HD2 HIS 58 41.791 -10.066 -6.561 273 HE1 HIS 58 HE1 HIS 58 43.490 -6.782 -4.481 274 HE2 HIS 58 HE2 HIS 58 41.758 -7.508 -6.163 275 H ALA 59 HN ALA 59 43.526 -14.320 -6.460 276 HA ALA 59 HA ALA 59 43.190 -16.394 -4.487 277 HB1 ALA 59 HB1 ALA 59 44.077 -17.892 -6.210 278 HB2 ALA 59 HB2 ALA 59 44.422 -16.499 -7.235 279 HB3 ALA 59 HB3 ALA 59 42.754 -16.898 -6.820 280 H GLY 60 HN GLY 60 44.577 -16.627 -2.889 281 HA2 GLY 60 HA2 GLY 60 47.179 -15.495 -2.881 282 HA3 GLY 60 HA1 GLY 60 46.527 -16.589 -1.672 283 H HIS 61 HN HIS 61 46.019 -18.389 -4.192 284 HA HIS 61 HA HIS 61 48.321 -20.020 -3.894 285 HB2 HIS 61 HB2 HIS 61 46.203 -21.028 -4.486 286 HB3 HIS 61 HB1 HIS 61 46.096 -20.048 -5.943 287 HD1 HIS 61 HD1 HIS 61 46.618 -21.331 -7.967 288 HD2 HIS 61 HD2 HIS 61 48.759 -22.718 -4.679 289 HE1 HIS 61 HE1 HIS 61 47.978 -23.273 -8.810 290 HE2 HIS 61 HE2 HIS 61 49.143 -24.196 -6.773 291 H TYR 62 HN TYR 62 47.234 -17.725 -6.335 292 HA TYR 62 HA TYR 62 48.326 -16.476 -7.850 293 HB2 TYR 62 HB2 TYR 62 49.875 -15.849 -6.150 294 HB3 TYR 62 HB1 TYR 62 50.734 -17.381 -6.275 295 HD1 TYR 62 HD1 TYR 62 52.697 -17.433 -7.484 296 HD2 TYR 62 HD2 TYR 62 49.817 -14.438 -8.406 297 HE1 TYR 62 HE1 TYR 62 54.253 -16.449 -9.113 298 HE2 TYR 62 HE2 TYR 62 51.368 -13.445 -10.037 299 HH TYR 62 HH TYR 62 54.263 -15.034 -11.038 300 H ALA 63 HN ALA 63 47.699 -17.645 -9.622 301 HA ALA 63 HA ALA 63 49.977 -19.015 -10.910 302 HB1 ALA 63 HB1 ALA 63 47.970 -20.421 -10.872 303 HB2 ALA 63 HB2 ALA 63 48.347 -19.923 -12.520 304 HB3 ALA 63 HB3 ALA 63 47.039 -19.133 -11.640 305 H ARG 64 HN ARG 64 47.141 -17.322 -12.139 306 HA ARG 64 HA ARG 64 48.510 -14.832 -12.336 307 HB2 ARG 64 HB2 ARG 64 49.223 -15.969 -14.475 308 HB3 ARG 64 HB1 ARG 64 47.527 -16.005 -14.946 309 HG2 ARG 64 HG2 ARG 64 47.408 -13.725 -15.224 310 HG3 ARG 64 HG1 ARG 64 48.768 -13.416 -14.145 311 HD2 ARG 64 HD2 ARG 64 49.531 -12.956 -16.324 312 HD3 ARG 64 HD1 ARG 64 50.235 -14.505 -15.871 313 HE ARG 64 HE ARG 64 48.214 -15.422 -17.209 314 HH11 ARG 64 HH11 ARG 64 49.983 -12.492 -17.924 315 HH12 ARG 64 HH12 ARG 64 49.754 -12.614 -19.644 316 HH21 ARG 64 HH21 ARG 64 47.907 -15.600 -19.463 317 HH22 ARG 64 HH22 ARG 64 48.565 -14.383 -20.521 318 H ASP 65 HN ASP 65 46.770 -14.962 -10.749 319 HA ASP 65 HA ASP 65 44.117 -14.413 -11.896 320 HB2 ASP 65 HB2 ASP 65 43.412 -15.547 -9.584 321 HB3 ASP 65 HB1 ASP 65 43.689 -16.501 -11.037 322 H GLY 66 HN GLY 66 46.103 -14.186 -8.947 323 HA2 GLY 66 HA2 GLY 66 44.684 -12.041 -7.780 324 HA3 GLY 66 HA1 GLY 66 46.345 -12.488 -7.416 325 H SER 67 HN SER 67 46.547 -12.057 -10.566 326 HA SER 67 HA SER 67 47.575 -9.376 -10.356 327 HB2 SER 67 HB2 SER 67 47.368 -11.192 -12.778 328 HB3 SER 67 HB1 SER 67 48.332 -9.721 -12.657 329 HG SER 67 HG SER 67 49.684 -11.445 -12.289 330 H THR 68 HN THR 68 44.546 -10.342 -10.494 331 HA THR 68 HA THR 68 43.351 -9.083 -12.679 332 HB THR 68 HB THR 68 42.113 -10.617 -11.262 333 HG1 THR 68 HG1 THR 68 40.740 -9.254 -12.303 334 HG21 THR 68 HG21 THR 68 43.105 -10.050 -9.101 335 HG22 THR 68 HG22 THR 68 41.344 -10.000 -9.025 336 HG23 THR 68 HG23 THR 68 42.268 -8.500 -9.115 337 H ALA 69 HN ALA 69 43.289 -7.020 -13.251 338 HA ALA 69 HA ALA 69 43.118 -4.899 -11.288 339 HB1 ALA 69 HB1 ALA 69 45.166 -3.762 -12.033 340 HB2 ALA 69 HB2 ALA 69 45.560 -5.158 -13.038 341 HB3 ALA 69 HB3 ALA 69 45.507 -5.322 -11.284 342 H SER 70 HN SER 70 42.100 -6.114 -14.087 343 HA SER 70 HA SER 70 42.216 -3.758 -15.738 344 HB2 SER 70 HB2 SER 70 42.161 -6.042 -16.718 345 HB3 SER 70 HB1 SER 70 40.525 -6.247 -16.096 346 HG SER 70 HG SER 70 39.767 -5.043 -17.660 347 H ASP 71 HN ASP 71 41.203 -2.073 -14.765 348 HA ASP 71 HA ASP 71 38.290 -2.288 -14.599 349 HB2 ASP 71 HB2 ASP 71 39.010 -2.465 -12.296 350 HB3 ASP 71 HB1 ASP 71 40.059 -1.063 -12.474 351 H ALA 72 HN ALA 72 40.828 0.151 -14.036 352 HA ALA 72 HA ALA 72 41.080 2.298 -14.713 353 HB1 ALA 72 HB1 ALA 72 39.445 1.435 -17.102 354 HB2 ALA 72 HB2 ALA 72 41.203 1.397 -16.969 355 HB3 ALA 72 HB3 ALA 72 40.354 2.941 -16.971 356 H GLY 73 HN GLY 73 37.776 1.548 -15.790 357 HA2 GLY 73 HA2 GLY 73 36.637 3.094 -13.621 358 HA3 GLY 73 HA1 GLY 73 36.398 3.785 -15.224 359 H GLU 74 HN GLU 74 36.536 0.390 -14.340 360 HA GLU 74 HA GLU 74 34.171 -0.097 -15.928 361 HB2 GLU 74 HB2 GLU 74 36.247 -1.519 -15.995 362 HB3 GLU 74 HB1 GLU 74 35.831 -2.094 -14.389 363 HG2 GLU 74 HG2 GLU 74 33.915 -3.199 -15.162 364 HG3 GLU 74 HG1 GLU 74 33.947 -2.345 -16.705 365 H THR 75 HN THR 75 35.184 -0.456 -12.577 366 HA THR 75 HA THR 75 34.091 -0.374 -10.629 367 HB THR 75 HB THR 75 31.936 0.730 -10.416 368 HG1 THR 75 HG1 THR 75 31.707 0.050 -13.081 369 HG21 THR 75 HG21 THR 75 33.693 2.096 -12.459 370 HG22 THR 75 HG22 THR 75 33.945 2.105 -10.714 371 HG23 THR 75 HG23 THR 75 32.520 2.882 -11.404 372 H HIS 76 HN HIS 76 33.619 -2.104 -9.525 373 HA HIS 76 HA HIS 76 31.542 -3.914 -10.565 374 HB2 HIS 76 HB2 HIS 76 33.941 -4.444 -8.826 375 HB3 HIS 76 HB1 HIS 76 32.585 -5.564 -8.876 376 HD1 HIS 76 HD1 HIS 76 33.130 -7.476 -10.383 377 HD2 HIS 76 HD2 HIS 76 34.646 -3.864 -11.786 378 HE1 HIS 76 HE1 HIS 76 34.312 -8.022 -12.532 379 HE2 HIS 76 HE2 HIS 76 35.400 -5.866 -13.249 380 H PHE 77 HN PHE 77 31.719 -1.416 -8.633 381 HA PHE 77 HA PHE 77 29.487 -2.365 -7.026 382 HB2 PHE 77 HB2 PHE 77 31.404 -2.513 -5.513 383 HB3 PHE 77 HB1 PHE 77 31.872 -0.864 -5.907 384 HD1 PHE 77 HD1 PHE 77 29.411 -2.946 -4.156 385 HD2 PHE 77 HD2 PHE 77 30.796 1.005 -4.890 386 HE1 PHE 77 HE1 PHE 77 28.041 -2.123 -2.291 387 HE2 PHE 77 HE2 PHE 77 29.426 1.840 -3.025 388 HZ PHE 77 HZ PHE 77 28.046 0.273 -1.722 389 H ARG 78 HN ARG 78 27.858 -0.919 -7.021 390 HA ARG 78 HA ARG 78 28.461 1.901 -7.220 391 HB2 ARG 78 HB2 ARG 78 26.792 2.306 -9.006 392 HB3 ARG 78 HB1 ARG 78 28.195 1.407 -9.555 393 HG2 ARG 78 HG2 ARG 78 26.859 -0.678 -9.360 394 HG3 ARG 78 HG1 ARG 78 25.451 0.317 -8.985 395 HD2 ARG 78 HD2 ARG 78 27.104 0.569 -11.491 396 HD3 ARG 78 HD1 ARG 78 25.612 -0.360 -11.376 397 HE ARG 78 HE ARG 78 24.603 1.893 -10.684 398 HH11 ARG 78 HH11 ARG 78 27.290 1.542 -12.926 399 HH12 ARG 78 HH12 ARG 78 26.868 2.972 -13.831 400 HH21 ARG 78 HH21 ARG 78 24.062 3.751 -11.863 401 HH22 ARG 78 HH22 ARG 78 25.034 4.227 -13.221 402 H LEU 79 HN LEU 79 27.082 3.143 -6.126 403 HA LEU 79 HA LEU 79 24.783 1.799 -4.876 404 HB2 LEU 79 HB2 LEU 79 26.703 2.442 -3.364 405 HB3 LEU 79 HB1 LEU 79 26.391 4.115 -3.773 406 HG LEU 79 HG LEU 79 25.499 3.320 -1.544 407 HD11 LEU 79 HD11 LEU 79 23.385 4.532 -1.742 408 HD12 LEU 79 HD12 LEU 79 23.504 4.458 -3.501 409 HD13 LEU 79 HD13 LEU 79 24.694 5.373 -2.574 410 HD21 LEU 79 HD21 LEU 79 23.362 2.108 -1.579 411 HD22 LEU 79 HD22 LEU 79 24.693 1.140 -2.214 412 HD23 LEU 79 HD23 LEU 79 23.534 1.878 -3.319 413 H GLU 80 HN GLU 80 22.915 2.500 -5.620 414 HA GLU 80 HA GLU 80 22.673 5.328 -6.407 415 HB2 GLU 80 HB2 GLU 80 21.378 2.934 -7.731 416 HB3 GLU 80 HB1 GLU 80 21.081 4.613 -8.161 417 HG2 GLU 80 HG2 GLU 80 23.370 4.878 -8.870 418 HG3 GLU 80 HG1 GLU 80 23.751 3.242 -8.338 419 H VAL 81 HN VAL 81 21.311 6.345 -5.097 420 HA VAL 81 HA VAL 81 18.999 4.846 -4.074 421 HB VAL 81 HB VAL 81 20.268 5.101 -2.145 422 HG11 VAL 81 HG11 VAL 81 21.997 6.554 -3.020 423 HG12 VAL 81 HG12 VAL 81 21.415 7.146 -1.465 424 HG13 VAL 81 HG13 VAL 81 20.894 7.929 -2.956 425 HG21 VAL 81 HG21 VAL 81 19.110 6.729 -0.744 426 HG22 VAL 81 HG22 VAL 81 17.980 5.880 -1.800 427 HG23 VAL 81 HG23 VAL 81 18.478 7.527 -2.184 428 H THR 82 HN THR 82 17.087 5.682 -4.384 429 HA THR 82 HA THR 82 16.875 8.251 -5.769 430 HB THR 82 HB THR 82 15.280 5.728 -6.269 431 HG1 THR 82 HG1 THR 82 17.722 6.203 -6.993 432 HG21 THR 82 HG21 THR 82 15.396 8.319 -7.815 433 HG22 THR 82 HG22 THR 82 14.057 7.788 -6.797 434 HG23 THR 82 HG23 THR 82 14.469 6.888 -8.258 435 H SER 83 HN SER 83 15.817 9.625 -4.468 436 HA SER 83 HA SER 83 13.383 8.641 -3.131 437 HB2 SER 83 HB2 SER 83 14.967 11.087 -2.334 438 HB3 SER 83 HB1 SER 83 13.694 10.281 -1.418 439 HG SER 83 HG SER 83 16.332 9.386 -1.933 440 H ASP 84 HN ASP 84 11.679 9.215 -4.282 441 HA ASP 84 HA ASP 84 10.125 10.472 -5.355 442 HB2 ASP 84 HB2 ASP 84 12.007 12.794 -4.900 443 HB3 ASP 84 HB1 ASP 84 10.390 12.928 -5.580 444 H ALA 85 HN ALA 85 13.424 10.482 -6.336 445 HA ALA 85 HA ALA 85 14.433 10.220 -8.353 446 HB1 ALA 85 HB1 ALA 85 12.635 8.617 -8.838 447 HB2 ALA 85 HB2 ALA 85 13.146 9.491 -10.283 448 HB3 ALA 85 HB3 ALA 85 11.645 9.932 -9.469 449 H PHE 86 HN PHE 86 14.199 12.739 -7.428 450 HA PHE 86 HA PHE 86 14.262 14.242 -9.895 451 HB2 PHE 86 HB2 PHE 86 11.925 14.533 -9.104 452 HB3 PHE 86 HB1 PHE 86 12.537 15.163 -7.577 453 HD1 PHE 86 HD1 PHE 86 12.590 15.781 -11.241 454 HD2 PHE 86 HD2 PHE 86 12.962 17.441 -7.340 455 HE1 PHE 86 HE1 PHE 86 12.645 18.040 -12.213 456 HE2 PHE 86 HE2 PHE 86 13.017 19.705 -8.307 457 HZ PHE 86 HZ PHE 86 12.855 20.005 -10.746 458 H LYS 87 HN LYS 87 16.407 14.509 -9.625 459 HA LYS 87 HA LYS 87 17.696 14.953 -7.174 460 HB2 LYS 87 HB2 LYS 87 18.433 14.650 -9.920 461 HB3 LYS 87 HB1 LYS 87 19.296 16.026 -9.246 462 HG2 LYS 87 HG2 LYS 87 19.262 13.251 -8.079 463 HG3 LYS 87 HG1 LYS 87 20.567 13.950 -9.042 464 HD2 LYS 87 HD2 LYS 87 20.031 15.811 -7.032 465 HD3 LYS 87 HD1 LYS 87 20.002 14.238 -6.236 466 HE2 LYS 87 HE2 LYS 87 22.248 15.296 -6.266 467 HE3 LYS 87 HE1 LYS 87 22.195 13.712 -7.035 468 HZ1 LYS 87 HZ1 LYS 87 22.142 14.773 -9.188 469 HZ2 LYS 87 HZ2 LYS 87 23.485 15.332 -8.318 470 HZ3 LYS 87 HZ3 LYS 87 22.111 16.312 -8.476 471 H GLY 88 HN GLY 88 17.898 16.671 -5.969 472 HA2 GLY 88 HA2 GLY 88 17.853 19.334 -7.224 473 HA3 GLY 88 HA1 GLY 88 16.798 19.005 -5.856 474 H LEU 89 HN LEU 89 18.429 17.501 -4.245 475 HA LEU 89 HA LEU 89 20.243 19.522 -3.269 476 HB2 LEU 89 HB2 LEU 89 20.593 17.858 -1.390 477 HB3 LEU 89 HB1 LEU 89 18.992 18.545 -1.559 478 HG LEU 89 HG LEU 89 18.348 16.403 -2.776 479 HD11 LEU 89 HD11 LEU 89 20.592 15.596 -3.280 480 HD12 LEU 89 HD12 LEU 89 19.698 14.428 -2.307 481 HD13 LEU 89 HD13 LEU 89 20.931 15.442 -1.555 482 HD21 LEU 89 HD21 LEU 89 18.050 15.171 -0.670 483 HD22 LEU 89 HD22 LEU 89 17.638 16.879 -0.513 484 HD23 LEU 89 HD23 LEU 89 19.172 16.280 0.120 485 H THR 90 HN THR 90 22.456 18.998 -2.612 486 HA THR 90 HA THR 90 23.963 17.903 -4.706 487 HB THR 90 HB THR 90 25.827 17.920 -2.889 488 HG1 THR 90 HG1 THR 90 25.085 19.532 -1.212 489 HG21 THR 90 HG21 THR 90 25.634 19.608 -4.637 490 HG22 THR 90 HG22 THR 90 26.036 20.369 -3.097 491 HG23 THR 90 HG23 THR 90 24.386 20.446 -3.716 492 H LEU 91 HN LEU 91 24.642 15.896 -5.136 493 HA LEU 91 HA LEU 91 23.364 13.735 -3.877 494 HB2 LEU 91 HB2 LEU 91 24.409 12.325 -5.412 495 HB3 LEU 91 HB1 LEU 91 24.197 13.840 -6.262 496 HG LEU 91 HG LEU 91 26.796 12.919 -5.030 497 HD11 LEU 91 HD11 LEU 91 25.869 12.870 -7.896 498 HD12 LEU 91 HD12 LEU 91 26.118 11.467 -6.856 499 HD13 LEU 91 HD13 LEU 91 27.491 12.469 -7.328 500 HD21 LEU 91 HD21 LEU 91 27.790 14.700 -6.378 501 HD22 LEU 91 HD22 LEU 91 26.639 15.345 -5.209 502 HD23 LEU 91 HD23 LEU 91 26.183 15.201 -6.906 503 H VAL 92 HN VAL 92 26.394 15.258 -3.215 504 HA VAL 92 HA VAL 92 27.623 13.110 -1.829 505 HB VAL 92 HB VAL 92 29.092 14.838 -0.822 506 HG11 VAL 92 HG11 VAL 92 29.634 13.869 -2.981 507 HG12 VAL 92 HG12 VAL 92 30.115 15.564 -2.929 508 HG13 VAL 92 HG13 VAL 92 28.655 15.088 -3.797 509 HG21 VAL 92 HG21 VAL 92 27.445 16.638 -0.608 510 HG22 VAL 92 HG22 VAL 92 27.368 16.784 -2.364 511 HG23 VAL 92 HG23 VAL 92 28.862 17.174 -1.509 512 H LYS 93 HN LYS 93 25.115 15.298 -1.006 513 HA LYS 93 HA LYS 93 25.419 15.462 1.780 514 HB2 LYS 93 HB2 LYS 93 23.969 16.907 0.357 515 HB3 LYS 93 HB1 LYS 93 22.870 15.555 0.154 516 HG2 LYS 93 HG2 LYS 93 23.499 16.413 2.920 517 HG3 LYS 93 HG1 LYS 93 22.474 17.461 1.942 518 HD2 LYS 93 HD2 LYS 93 21.023 15.481 1.483 519 HD3 LYS 93 HD1 LYS 93 21.982 14.571 2.648 520 HE2 LYS 93 HE2 LYS 93 20.255 16.988 3.143 521 HE3 LYS 93 HE1 LYS 93 20.055 15.365 3.795 522 HZ1 LYS 93 HZ1 LYS 93 22.228 15.718 4.957 523 HZ2 LYS 93 HZ2 LYS 93 20.954 16.693 5.505 524 HZ3 LYS 93 HZ3 LYS 93 22.145 17.351 4.494 525 H ARG 94 HN ARG 94 23.458 13.237 -0.205 526 HA ARG 94 HA ARG 94 22.603 11.748 2.084 527 HB2 ARG 94 HB2 ARG 94 22.384 11.138 -0.858 528 HB3 ARG 94 HB1 ARG 94 21.702 10.126 0.408 529 HG2 ARG 94 HG2 ARG 94 20.697 12.569 1.059 530 HG3 ARG 94 HG1 ARG 94 20.746 12.654 -0.702 531 HD2 ARG 94 HD2 ARG 94 18.613 11.777 -0.077 532 HD3 ARG 94 HD1 ARG 94 19.558 10.460 -0.768 533 HE ARG 94 HE ARG 94 20.060 9.960 1.719 534 HH11 ARG 94 HH11 ARG 94 17.029 11.123 0.427 535 HH12 ARG 94 HH12 ARG 94 16.061 10.452 1.702 536 HH21 ARG 94 HH21 ARG 94 18.787 9.054 3.417 537 HH22 ARG 94 HH22 ARG 94 17.072 9.276 3.401 538 H HIS 95 HN HIS 95 25.359 11.595 0.011 539 HA HIS 95 HA HIS 95 25.908 8.823 0.323 540 HB2 HIS 95 HB2 HIS 95 27.617 11.143 -0.547 541 HB3 HIS 95 HB1 HIS 95 28.260 9.507 -0.406 542 HD1 HIS 95 HD1 HIS 95 28.037 11.084 -3.119 543 HD2 HIS 95 HD2 HIS 95 25.364 8.211 -1.754 544 HE1 HIS 95 HE1 HIS 95 26.887 10.210 -5.170 545 HE2 HIS 95 HE2 HIS 95 25.434 8.331 -4.337 546 H GLN 96 HN GLN 96 26.667 11.658 2.192 547 HA GLN 96 HA GLN 96 28.692 10.555 3.822 548 HB2 GLN 96 HB2 GLN 96 28.205 12.983 3.636 549 HB3 GLN 96 HB1 GLN 96 26.692 12.727 4.492 550 HG2 GLN 96 HG2 GLN 96 28.320 13.606 6.010 551 HG3 GLN 96 HG1 GLN 96 27.967 11.934 6.446 552 HE21 GLN 96 HE21 GLN 96 30.322 14.118 5.138 553 HE22 GLN 96 HE22 GLN 96 31.682 13.051 5.245 554 H LEU 97 HN LEU 97 25.215 10.395 3.887 555 HA LEU 97 HA LEU 97 24.807 9.667 6.566 556 HB2 LEU 97 HB2 LEU 97 23.145 8.930 4.155 557 HB3 LEU 97 HB1 LEU 97 22.614 8.883 5.823 558 HG LEU 97 HG LEU 97 23.403 11.390 4.343 559 HD11 LEU 97 HD11 LEU 97 21.371 10.460 3.410 560 HD12 LEU 97 HD12 LEU 97 20.991 11.891 4.369 561 HD13 LEU 97 HD13 LEU 97 20.680 10.283 5.024 562 HD21 LEU 97 HD21 LEU 97 22.182 10.955 7.064 563 HD22 LEU 97 HD22 LEU 97 22.367 12.521 6.273 564 HD23 LEU 97 HD23 LEU 97 23.794 11.583 6.716 565 H ILE 98 HN ILE 98 25.681 7.769 3.755 566 HA ILE 98 HA ILE 98 25.184 5.290 5.235 567 HB ILE 98 HB ILE 98 25.451 4.150 3.040 568 HG12 ILE 98 HG12 ILE 98 25.475 6.973 1.941 569 HG13 ILE 98 HG11 ILE 98 26.859 5.886 1.966 570 HG21 ILE 98 HG21 ILE 98 23.245 4.699 3.884 571 HG22 ILE 98 HG22 ILE 98 23.290 4.895 2.132 572 HG23 ILE 98 HG23 ILE 98 23.351 6.313 3.178 573 HD11 ILE 98 HD11 ILE 98 25.626 4.335 0.510 574 HD12 ILE 98 HD12 ILE 98 25.878 5.919 -0.224 575 HD13 ILE 98 HD13 ILE 98 24.299 5.493 0.438 576 H TYR 99 HN TYR 99 27.738 7.194 3.861 577 HA TYR 99 HA TYR 99 29.968 6.861 3.521 578 HB2 TYR 99 HB2 TYR 99 31.174 6.195 5.620 579 HB3 TYR 99 HB1 TYR 99 30.016 7.500 5.812 580 HD1 TYR 99 HD1 TYR 99 28.176 7.297 7.303 581 HD2 TYR 99 HD2 TYR 99 30.623 3.908 6.496 582 HE1 TYR 99 HE1 TYR 99 27.115 6.094 9.162 583 HE2 TYR 99 HE2 TYR 99 29.563 2.694 8.355 584 HH TYR 99 HH TYR 99 28.328 3.072 10.347 585 H GLY 100 HN GLY 100 28.571 4.751 2.314 586 HA2 GLY 100 HA2 GLY 100 29.979 2.305 3.103 587 HA3 GLY 100 HA1 GLY 100 28.543 2.386 2.103 588 H LEU 101 HN LEU 101 30.700 4.704 1.066 589 HA LEU 101 HA LEU 101 31.170 3.099 -1.315 590 HB2 LEU 101 HB2 LEU 101 31.599 6.044 -0.807 591 HB3 LEU 101 HB1 LEU 101 31.883 5.242 -2.338 592 HG LEU 101 HG LEU 101 29.815 6.282 -2.605 593 HD11 LEU 101 HD11 LEU 101 28.175 4.470 -2.746 594 HD12 LEU 101 HD12 LEU 101 29.231 3.447 -1.773 595 HD13 LEU 101 HD13 LEU 101 29.756 3.989 -3.368 596 HD21 LEU 101 HD21 LEU 101 28.970 5.222 0.090 597 HD22 LEU 101 HD22 LEU 101 27.989 6.199 -1.002 598 HD23 LEU 101 HD23 LEU 101 29.435 6.888 -0.267 599 H LEU 102 HN LEU 102 33.113 2.540 -2.111 600 HA LEU 102 HA LEU 102 35.335 2.237 -2.338 601 HB2 LEU 102 HB2 LEU 102 35.369 4.715 -2.454 602 HB3 LEU 102 HB1 LEU 102 35.642 4.768 -0.723 603 HG LEU 102 HG LEU 102 37.782 3.547 -1.062 604 HD11 LEU 102 HD11 LEU 102 37.239 2.425 -3.155 605 HD12 LEU 102 HD12 LEU 102 38.704 3.391 -3.321 606 HD13 LEU 102 HD13 LEU 102 37.181 3.979 -3.988 607 HD21 LEU 102 HD21 LEU 102 38.992 5.454 -1.993 608 HD22 LEU 102 HD22 LEU 102 37.736 5.973 -0.870 609 HD23 LEU 102 HD23 LEU 102 37.479 6.117 -2.610 610 H SER 103 HN SER 103 34.775 0.407 -0.887 611 HA SER 103 HA SER 103 36.762 0.334 1.236 612 HB2 SER 103 HB2 SER 103 33.892 -0.443 1.816 613 HB3 SER 103 HB1 SER 103 35.248 -0.482 2.944 614 HG SER 103 HG SER 103 34.951 1.970 1.808 615 H ASP 104 HN ASP 104 33.998 -1.571 0.019 616 HA ASP 104 HA ASP 104 35.465 -4.041 0.306 617 HB2 ASP 104 HB2 ASP 104 32.989 -3.797 0.715 618 HB3 ASP 104 HB1 ASP 104 32.784 -3.611 -1.024 619 H GLU 105 HN GLU 105 34.372 -1.970 -2.316 620 HA GLU 105 HA GLU 105 35.131 -3.682 -4.444 621 HB2 GLU 105 HB2 GLU 105 34.845 -1.710 -5.871 622 HB3 GLU 105 HB1 GLU 105 33.496 -1.892 -4.763 623 HG2 GLU 105 HG2 GLU 105 35.774 -0.078 -4.081 624 HG3 GLU 105 HG1 GLU 105 34.512 0.451 -5.187 625 H PHE 106 HN PHE 106 36.779 -1.244 -2.568 626 HA PHE 106 HA PHE 106 39.089 -1.050 -4.222 627 HB2 PHE 106 HB2 PHE 106 38.400 0.649 -2.505 628 HB3 PHE 106 HB1 PHE 106 38.884 -0.491 -1.254 629 HD1 PHE 106 HD1 PHE 106 40.139 1.480 -4.123 630 HD2 PHE 106 HD2 PHE 106 41.125 -0.651 -0.572 631 HE1 PHE 106 HE1 PHE 106 42.440 2.344 -4.245 632 HE2 PHE 106 HE2 PHE 106 43.426 0.210 -0.690 633 HZ PHE 106 HZ PHE 106 44.089 1.711 -2.528 634 H LYS 107 HN LYS 107 38.109 -3.067 -1.545 635 HA LYS 107 HA LYS 107 40.505 -4.484 -1.130 636 HB2 LYS 107 HB2 LYS 107 38.737 -4.664 0.472 637 HB3 LYS 107 HB1 LYS 107 37.595 -5.191 -0.756 638 HG2 LYS 107 HG2 LYS 107 38.890 -7.282 -0.999 639 HG3 LYS 107 HG1 LYS 107 39.922 -6.759 0.337 640 HD2 LYS 107 HD2 LYS 107 38.144 -8.300 1.078 641 HD3 LYS 107 HD1 LYS 107 38.001 -6.708 1.828 642 HE2 LYS 107 HE2 LYS 107 36.292 -6.093 0.179 643 HE3 LYS 107 HE1 LYS 107 36.433 -7.688 -0.557 644 HZ1 LYS 107 HZ1 LYS 107 35.509 -8.705 1.319 645 HZ2 LYS 107 HZ2 LYS 107 34.540 -7.332 1.059 646 HZ3 LYS 107 HZ3 LYS 107 35.707 -7.332 2.291 647 H ALA 108 HN ALA 108 37.905 -4.807 -3.447 648 HA ALA 108 HA ALA 108 38.783 -7.261 -4.603 649 HB1 ALA 108 HB1 ALA 108 37.042 -5.117 -5.829 650 HB2 ALA 108 HB2 ALA 108 36.460 -6.401 -4.773 651 HB3 ALA 108 HB3 ALA 108 37.162 -6.802 -6.339 652 H GLY 109 HN GLY 109 39.463 -3.874 -5.122 653 HA2 GLY 109 HA2 GLY 109 41.534 -3.166 -6.089 654 HA3 GLY 109 HA1 GLY 109 41.534 -4.627 -7.070 655 H LEU 110 HN LEU 110 38.449 -3.380 -6.997 656 HA LEU 110 HA LEU 110 38.849 -2.090 -9.608 657 HB2 LEU 110 HB2 LEU 110 36.328 -3.222 -8.377 658 HB3 LEU 110 HB1 LEU 110 36.410 -2.424 -9.932 659 HG LEU 110 HG LEU 110 36.335 -4.695 -10.450 660 HD11 LEU 110 HD11 LEU 110 38.075 -3.581 -11.706 661 HD12 LEU 110 HD12 LEU 110 38.527 -5.255 -11.387 662 HD13 LEU 110 HD13 LEU 110 39.251 -3.952 -10.446 663 HD21 LEU 110 HD21 LEU 110 37.726 -6.410 -9.395 664 HD22 LEU 110 HD22 LEU 110 36.685 -5.592 -8.227 665 HD23 LEU 110 HD23 LEU 110 38.400 -5.189 -8.315 666 H HIS 111 HN HIS 111 37.010 -0.372 -10.002 667 HA HIS 111 HA HIS 111 37.062 1.407 -7.663 668 HB2 HIS 111 HB2 HIS 111 36.754 2.017 -10.608 669 HB3 HIS 111 HB1 HIS 111 36.498 3.216 -9.344 670 HD1 HIS 111 HD1 HIS 111 39.075 1.729 -11.419 671 HD2 HIS 111 HD2 HIS 111 38.912 3.686 -7.750 672 HE1 HIS 111 HE1 HIS 111 41.437 2.477 -10.937 673 HE2 HIS 111 HE2 HIS 111 41.332 3.560 -8.654 674 H ALA 112 HN ALA 112 35.079 3.061 -7.906 675 HA ALA 112 HA ALA 112 32.612 1.615 -8.461 676 HB1 ALA 112 HB1 ALA 112 33.250 2.734 -5.731 677 HB2 ALA 112 HB2 ALA 112 33.165 1.021 -6.148 678 HB3 ALA 112 HB3 ALA 112 31.716 2.022 -6.232 679 H LEU 113 HN LEU 113 30.723 3.023 -8.331 680 HA LEU 113 HA LEU 113 31.290 5.887 -8.239 681 HB2 LEU 113 HB2 LEU 113 30.145 6.386 -10.265 682 HB3 LEU 113 HB1 LEU 113 31.344 5.168 -10.637 683 HG LEU 113 HG LEU 113 28.401 4.581 -10.258 684 HD11 LEU 113 HD11 LEU 113 28.781 6.024 -12.202 685 HD12 LEU 113 HD12 LEU 113 28.298 4.397 -12.683 686 HD13 LEU 113 HD13 LEU 113 29.986 4.887 -12.805 687 HD21 LEU 113 HD21 LEU 113 28.937 2.447 -11.304 688 HD22 LEU 113 HD22 LEU 113 29.877 2.671 -9.828 689 HD23 LEU 113 HD23 LEU 113 30.637 2.908 -11.402 690 H SER 114 HN SER 114 29.659 7.079 -7.344 691 HA SER 114 HA SER 114 27.227 5.593 -6.612 692 HB2 SER 114 HB2 SER 114 27.307 6.720 -4.394 693 HB3 SER 114 HB1 SER 114 28.664 5.629 -4.665 694 HG SER 114 HG SER 114 29.601 7.820 -5.535 695 H MET 115 HN MET 115 25.441 6.568 -7.238 696 HA MET 115 HA MET 115 25.389 9.503 -7.244 697 HB2 MET 115 HB2 MET 115 23.932 9.442 -9.257 698 HB3 MET 115 HB1 MET 115 25.576 8.907 -9.564 699 HG2 MET 115 HG2 MET 115 23.371 6.953 -9.015 700 HG3 MET 115 HG1 MET 115 23.648 7.608 -10.628 701 HE1 MET 115 HE1 MET 115 27.275 6.372 -11.395 702 HE2 MET 115 HE2 MET 115 26.821 7.904 -10.650 703 HE3 MET 115 HE3 MET 115 25.874 7.264 -11.994 704 H THR 116 HN THR 116 23.609 10.399 -6.375 705 HA THR 116 HA THR 116 21.377 8.611 -5.739 706 HB THR 116 HB THR 116 22.543 8.913 -3.655 707 HG1 THR 116 HG1 THR 116 20.119 9.263 -3.850 708 HG21 THR 116 HG21 THR 116 22.902 11.140 -2.676 709 HG22 THR 116 HG22 THR 116 22.344 11.875 -4.178 710 HG23 THR 116 HG23 THR 116 23.821 10.911 -4.164 711 H THR 117 HN THR 117 19.402 9.406 -6.088 712 HA THR 117 HA THR 117 19.197 12.250 -6.775 713 HB THR 117 HB THR 117 18.699 11.120 -8.781 714 HG1 THR 117 HG1 THR 117 16.886 12.153 -9.066 715 HG21 THR 117 HG21 THR 117 18.497 8.858 -7.933 716 HG22 THR 117 HG22 THR 117 17.113 9.253 -8.951 717 HG23 THR 117 HG23 THR 117 16.943 9.250 -7.195 718 H LYS 118 HN LYS 118 18.031 13.410 -5.471 719 HA LYS 118 HA LYS 118 15.786 12.328 -3.975 720 HB2 LYS 118 HB2 LYS 118 18.065 12.122 -2.662 721 HB3 LYS 118 HB1 LYS 118 17.903 13.857 -2.452 722 HG2 LYS 118 HG2 LYS 118 15.873 11.812 -1.560 723 HG3 LYS 118 HG1 LYS 118 17.088 12.554 -0.524 724 HD2 LYS 118 HD2 LYS 118 16.096 14.726 -0.840 725 HD3 LYS 118 HD1 LYS 118 14.966 14.074 -2.029 726 HE2 LYS 118 HE2 LYS 118 14.106 12.566 -0.187 727 HE3 LYS 118 HE1 LYS 118 15.056 13.542 0.933 728 HZ1 LYS 118 HZ1 LYS 118 12.674 14.203 0.690 729 HZ2 LYS 118 HZ2 LYS 118 13.019 14.683 -0.896 730 HZ3 LYS 118 HZ3 LYS 118 13.781 15.458 0.406 731 H THR 119 HN THR 119 14.253 13.904 -3.656 732 HA THR 119 HA THR 119 14.211 16.246 -5.112 733 HB THR 119 HB THR 119 12.502 16.925 -3.190 734 HG1 THR 119 HG1 THR 119 11.965 14.295 -2.799 735 HG21 THR 119 HG21 THR 119 11.916 16.371 -5.504 736 HG22 THR 119 HG22 THR 119 10.783 15.643 -4.365 737 HG23 THR 119 HG23 THR 119 12.031 14.654 -5.123 738 HA PRO 120 HA PRO 120 16.731 19.340 -3.252 739 HB2 PRO 120 HB2 PRO 120 14.224 20.968 -3.188 740 HB3 PRO 120 HB1 PRO 120 15.830 21.395 -3.792 741 HG2 PRO 120 HG2 PRO 120 13.876 20.756 -5.477 742 HG3 PRO 120 HG1 PRO 120 15.541 20.228 -5.773 743 HD2 PRO 120 HD2 PRO 120 13.196 18.661 -4.831 744 HD3 PRO 120 HD1 PRO 120 14.582 18.145 -5.813 745 H ALA 121 HN ALA 121 17.323 19.866 -1.233 746 HA ALA 121 HA ALA 121 15.648 19.021 0.969 747 HB1 ALA 121 HB1 ALA 121 18.381 20.304 0.982 748 HB2 ALA 121 HB2 ALA 121 18.059 18.570 0.998 749 HB3 ALA 121 HB3 ALA 121 17.574 19.570 2.369 750 H GLU 122 HN GLU 122 15.976 21.737 -0.862 751 HA GLU 122 HA GLU 122 15.081 23.547 1.252 752 HB2 GLU 122 HB2 GLU 122 16.909 24.329 -0.180 753 HB3 GLU 122 HB1 GLU 122 15.913 24.079 -1.604 754 HG2 GLU 122 HG2 GLU 122 14.497 25.871 -1.059 755 HG3 GLU 122 HG1 GLU 122 15.128 25.969 0.587 756 H GLN 123 HN GLN 123 12.996 22.925 1.561 757 HA GLN 123 HA GLN 123 11.185 23.208 -0.735 758 HB2 GLN 123 HB2 GLN 123 9.736 21.483 0.503 759 HB3 GLN 123 HB1 GLN 123 11.153 20.898 -0.359 760 HG2 GLN 123 HG2 GLN 123 12.387 20.717 1.702 761 HG3 GLN 123 HG1 GLN 123 11.052 21.438 2.603 762 HE21 GLN 123 HE21 GLN 123 9.222 20.220 3.019 763 HE22 GLN 123 HE22 GLN 123 9.192 18.493 2.833 Start of MODEL 2 1 H MET 24 HT3 MET 24 2.225 -0.422 1.781 2 HA MET 24 HA MET 24 3.480 -1.963 0.486 3 HB2 MET 24 HB2 MET 24 2.508 0.411 -1.115 4 HB3 MET 24 HB1 MET 24 2.912 -1.149 -1.818 5 HG2 MET 24 HG2 MET 24 1.146 -2.215 -0.574 6 HG3 MET 24 HG1 MET 24 0.784 -0.706 0.264 7 HE1 MET 24 HE1 MET 24 1.045 1.440 -2.057 8 HE2 MET 24 HE2 MET 24 -0.284 1.418 -0.898 9 HE3 MET 24 HE3 MET 24 -0.622 1.524 -2.625 10 H ALA 25 HN ALA 25 5.671 -1.670 1.292 11 HA ALA 25 HA ALA 25 7.427 -0.926 -0.871 12 HB1 ALA 25 HB1 ALA 25 7.160 1.223 0.303 13 HB2 ALA 25 HB2 ALA 25 8.810 0.610 0.407 14 HB3 ALA 25 HB3 ALA 25 7.728 0.466 1.792 15 H GLU 26 HN GLU 26 8.040 -3.054 -0.902 16 HA GLU 26 HA GLU 26 9.206 -4.164 1.548 17 HB2 GLU 26 HB2 GLU 26 8.369 -5.535 -1.016 18 HB3 GLU 26 HB1 GLU 26 9.035 -6.341 0.398 19 HG2 GLU 26 HG2 GLU 26 7.138 -5.742 1.720 20 HG3 GLU 26 HG1 GLU 26 6.494 -4.733 0.425 21 H HIS 27 HN HIS 27 11.323 -4.124 1.750 22 HA HIS 27 HA HIS 27 12.967 -3.951 -0.700 23 HB2 HIS 27 HB2 HIS 27 13.436 -2.658 1.992 24 HB3 HIS 27 HB1 HIS 27 14.615 -2.674 0.687 25 HD1 HIS 27 HD1 HIS 27 12.861 -1.885 -1.693 26 HD2 HIS 27 HD2 HIS 27 12.633 -0.086 2.053 27 HE1 HIS 27 HE1 HIS 27 11.916 0.409 -2.096 28 HE2 HIS 27 HE2 HIS 27 12.022 1.549 0.147 29 H GLN 28 HN GLN 28 12.197 -6.366 0.471 30 HA GLN 28 HA GLN 28 14.141 -7.382 2.268 31 HB2 GLN 28 HB2 GLN 28 12.144 -8.750 0.466 32 HB3 GLN 28 HB1 GLN 28 13.177 -9.610 1.600 33 HG2 GLN 28 HG2 GLN 28 12.181 -8.472 3.459 34 HG3 GLN 28 HG1 GLN 28 11.237 -7.449 2.376 35 HE21 GLN 28 HE21 GLN 28 11.646 -10.661 3.661 36 HE22 GLN 28 HE22 GLN 28 10.067 -11.237 3.233 37 H LEU 29 HN LEU 29 16.185 -7.683 1.806 38 HA LEU 29 HA LEU 29 16.900 -8.883 -0.782 39 HB2 LEU 29 HB2 LEU 29 18.402 -6.746 0.733 40 HB3 LEU 29 HB1 LEU 29 19.050 -7.615 -0.644 41 HG LEU 29 HG LEU 29 16.627 -5.809 -0.703 42 HD11 LEU 29 HD11 LEU 29 19.422 -5.391 -1.757 43 HD12 LEU 29 HD12 LEU 29 18.696 -4.565 -0.379 44 HD13 LEU 29 HD13 LEU 29 18.053 -4.304 -2.000 45 HD21 LEU 29 HD21 LEU 29 16.754 -6.074 -3.128 46 HD22 LEU 29 HD22 LEU 29 16.483 -7.625 -2.332 47 HD23 LEU 29 HD23 LEU 29 18.087 -7.215 -2.938 48 H GLY 30 HN GLY 30 19.424 -9.583 -0.480 49 HA2 GLY 30 HA2 GLY 30 19.391 -11.271 1.946 50 HA3 GLY 30 HA1 GLY 30 20.101 -11.752 0.412 51 HA PRO 31 HA PRO 31 23.424 -10.044 3.265 52 HB2 PRO 31 HB2 PRO 31 24.790 -12.558 2.590 53 HB3 PRO 31 HB1 PRO 31 24.463 -11.852 4.175 54 HG2 PRO 31 HG2 PRO 31 23.171 -14.044 3.306 55 HG3 PRO 31 HG1 PRO 31 22.383 -12.831 4.333 56 HD2 PRO 31 HD2 PRO 31 22.173 -13.232 1.369 57 HD3 PRO 31 HD1 PRO 31 20.897 -12.863 2.550 58 H ILE 32 HN ILE 32 24.518 -8.577 2.141 59 HA ILE 32 HA ILE 32 25.720 -9.377 -0.423 60 HB ILE 32 HB ILE 32 25.009 -6.574 0.459 61 HG12 ILE 32 HG12 ILE 32 23.565 -8.399 -1.482 62 HG13 ILE 32 HG11 ILE 32 23.004 -8.007 0.139 63 HG21 ILE 32 HG21 ILE 32 26.840 -6.683 -1.149 64 HG22 ILE 32 HG22 ILE 32 25.393 -6.003 -1.891 65 HG23 ILE 32 HG23 ILE 32 25.851 -7.673 -2.220 66 HD11 ILE 32 HD11 ILE 32 21.836 -6.707 -1.539 67 HD12 ILE 32 HD12 ILE 32 23.369 -6.055 -2.117 68 HD13 ILE 32 HD13 ILE 32 22.800 -5.664 -0.494 69 H ALA 33 HN ALA 33 26.268 -6.867 2.031 70 HA ALA 33 HA ALA 33 28.899 -7.721 2.660 71 HB1 ALA 33 HB1 ALA 33 29.379 -6.772 0.448 72 HB2 ALA 33 HB2 ALA 33 30.127 -5.814 1.728 73 HB3 ALA 33 HB3 ALA 33 28.653 -5.243 0.944 74 H GLY 34 HN GLY 34 30.026 -5.673 3.838 75 HA2 GLY 34 HA2 GLY 34 28.484 -5.200 6.122 76 HA3 GLY 34 HA1 GLY 34 29.938 -4.317 5.688 77 H ALA 35 HN ALA 35 28.707 -3.379 3.177 78 HA ALA 35 HA ALA 35 27.674 -0.914 3.956 79 HB1 ALA 35 HB1 ALA 35 28.643 -1.358 1.751 80 HB2 ALA 35 HB2 ALA 35 27.052 -0.603 1.636 81 HB3 ALA 35 HB3 ALA 35 27.233 -2.332 1.339 82 H ILE 36 HN ILE 36 26.117 -3.979 3.685 83 HA ILE 36 HA ILE 36 23.493 -3.249 3.098 84 HB ILE 36 HB ILE 36 24.415 -5.605 3.255 85 HG12 ILE 36 HG12 ILE 36 21.815 -5.123 4.722 86 HG13 ILE 36 HG11 ILE 36 21.999 -5.054 2.972 87 HG21 ILE 36 HG21 ILE 36 25.429 -5.475 5.460 88 HG22 ILE 36 HG22 ILE 36 24.215 -6.754 5.419 89 HG23 ILE 36 HG23 ILE 36 23.846 -5.213 6.193 90 HD11 ILE 36 HD11 ILE 36 22.508 -7.366 2.852 91 HD12 ILE 36 HD12 ILE 36 21.072 -7.198 3.866 92 HD13 ILE 36 HD13 ILE 36 22.650 -7.490 4.604 93 H LYS 37 HN LYS 37 25.298 -2.933 6.078 94 HA LYS 37 HA LYS 37 22.933 -2.374 7.652 95 HB2 LYS 37 HB2 LYS 37 25.884 -2.299 8.259 96 HB3 LYS 37 HB1 LYS 37 24.666 -1.785 9.419 97 HG2 LYS 37 HG2 LYS 37 24.882 -4.529 8.196 98 HG3 LYS 37 HG1 LYS 37 25.386 -4.076 9.827 99 HD2 LYS 37 HD2 LYS 37 23.040 -3.388 10.292 100 HD3 LYS 37 HD1 LYS 37 22.584 -4.012 8.706 101 HE2 LYS 37 HE2 LYS 37 23.324 -6.241 9.366 102 HE3 LYS 37 HE1 LYS 37 23.820 -5.622 10.941 103 HZ1 LYS 37 HZ1 LYS 37 21.448 -4.916 11.238 104 HZ2 LYS 37 HZ2 LYS 37 21.705 -6.591 11.229 105 HZ3 LYS 37 HZ3 LYS 37 21.070 -5.826 9.858 106 H SER 38 HN SER 38 25.496 -0.605 6.063 107 HA SER 38 HA SER 38 25.165 1.926 7.169 108 HB2 SER 38 HB2 SER 38 25.851 1.283 4.297 109 HB3 SER 38 HB1 SER 38 26.282 2.745 5.184 110 HG SER 38 HG SER 38 27.819 1.687 6.221 111 H LYS 39 HN LYS 39 23.641 0.546 4.280 112 HA LYS 39 HA LYS 39 22.075 2.789 3.655 113 HB2 LYS 39 HB2 LYS 39 20.787 1.266 2.211 114 HB3 LYS 39 HB1 LYS 39 22.524 1.101 1.999 115 HG2 LYS 39 HG2 LYS 39 22.488 -0.914 3.403 116 HG3 LYS 39 HG1 LYS 39 20.735 -0.753 3.556 117 HD2 LYS 39 HD2 LYS 39 20.556 -0.908 1.088 118 HD3 LYS 39 HD1 LYS 39 22.296 -1.198 1.015 119 HE2 LYS 39 HE2 LYS 39 22.038 -3.221 2.330 120 HE3 LYS 39 HE1 LYS 39 20.309 -2.916 2.500 121 HZ1 LYS 39 HZ1 LYS 39 20.063 -3.153 0.113 122 HZ2 LYS 39 HZ2 LYS 39 20.767 -4.543 0.770 123 HZ3 LYS 39 HZ3 LYS 39 21.723 -3.425 -0.063 124 H VAL 40 HN VAL 40 21.551 0.262 5.993 125 HA VAL 40 HA VAL 40 18.769 0.146 6.047 126 HB VAL 40 HB VAL 40 20.770 -0.332 8.252 127 HG11 VAL 40 HG11 VAL 40 18.977 -1.450 9.488 128 HG12 VAL 40 HG12 VAL 40 17.812 -0.928 8.272 129 HG13 VAL 40 HG13 VAL 40 18.636 0.266 9.274 130 HG21 VAL 40 HG21 VAL 40 20.234 -2.692 7.805 131 HG22 VAL 40 HG22 VAL 40 20.891 -1.875 6.386 132 HG23 VAL 40 HG23 VAL 40 19.159 -2.185 6.502 133 H GLU 41 HN GLU 41 20.904 2.366 7.871 134 HA GLU 41 HA GLU 41 18.807 3.484 9.386 135 HB2 GLU 41 HB2 GLU 41 20.369 5.368 9.824 136 HB3 GLU 41 HB1 GLU 41 21.044 3.783 10.161 137 HG2 GLU 41 HG2 GLU 41 22.186 3.888 7.944 138 HG3 GLU 41 HG1 GLU 41 21.633 5.558 7.811 139 H ALA 42 HN ALA 42 20.238 4.443 6.296 140 HA ALA 42 HA ALA 42 18.600 6.704 5.854 141 HB1 ALA 42 HB1 ALA 42 20.645 6.289 4.584 142 HB2 ALA 42 HB2 ALA 42 19.259 6.491 3.514 143 HB3 ALA 42 HB3 ALA 42 19.899 4.879 3.834 144 H ALA 43 HN ALA 43 18.117 3.284 5.428 145 HA ALA 43 HA ALA 43 15.991 3.294 3.600 146 HB1 ALA 43 HB1 ALA 43 17.302 1.300 4.138 147 HB2 ALA 43 HB2 ALA 43 15.571 1.010 4.323 148 HB3 ALA 43 HB3 ALA 43 16.582 1.265 5.748 149 H LEU 44 HN LEU 44 16.057 4.058 6.961 150 HA LEU 44 HA LEU 44 13.380 3.605 7.649 151 HB2 LEU 44 HB2 LEU 44 15.274 5.763 8.578 152 HB3 LEU 44 HB1 LEU 44 13.731 5.410 9.332 153 HG LEU 44 HG LEU 44 16.069 3.505 9.158 154 HD11 LEU 44 HD11 LEU 44 14.947 5.065 11.485 155 HD12 LEU 44 HD12 LEU 44 16.502 5.338 10.694 156 HD13 LEU 44 HD13 LEU 44 16.216 3.840 11.583 157 HD21 LEU 44 HD21 LEU 44 14.748 2.084 10.638 158 HD22 LEU 44 HD22 LEU 44 13.899 2.367 9.117 159 HD23 LEU 44 HD23 LEU 44 13.414 3.238 10.572 160 H SER 45 HN SER 45 14.865 6.012 5.658 161 HA SER 45 HA SER 45 12.364 7.489 5.383 162 HB2 SER 45 HB2 SER 45 15.030 7.893 3.991 163 HB3 SER 45 HB1 SER 45 13.653 8.995 3.944 164 HG SER 45 HG SER 45 15.174 8.269 6.239 165 HA PRO 46 HA PRO 46 11.009 4.755 2.161 166 HB2 PRO 46 HB2 PRO 46 9.556 7.150 1.179 167 HB3 PRO 46 HB1 PRO 46 8.935 5.548 1.596 168 HG2 PRO 46 HG2 PRO 46 8.521 7.621 3.209 169 HG3 PRO 46 HG1 PRO 46 8.883 6.015 3.870 170 HD2 PRO 46 HD2 PRO 46 10.673 8.398 3.585 171 HD3 PRO 46 HD1 PRO 46 10.555 7.227 4.917 172 H THR 47 HN THR 47 12.640 4.325 0.788 173 HA THR 47 HA THR 47 12.874 5.878 -1.618 174 HB THR 47 HB THR 47 14.385 7.094 -0.039 175 HG1 THR 47 HG1 THR 47 14.809 6.523 -2.476 176 HG21 THR 47 HG21 THR 47 16.508 6.040 0.619 177 HG22 THR 47 HG22 THR 47 15.944 4.506 -0.045 178 HG23 THR 47 HG23 THR 47 15.122 5.225 1.339 179 H HIS 48 HN HIS 48 15.218 4.795 -2.618 180 HA HIS 48 HA HIS 48 14.802 1.885 -2.421 181 HB2 HIS 48 HB2 HIS 48 13.745 2.859 -4.486 182 HB3 HIS 48 HB1 HIS 48 15.332 3.433 -4.975 183 HD1 HIS 48 HD1 HIS 48 13.091 0.643 -5.344 184 HD2 HIS 48 HD2 HIS 48 17.215 1.165 -5.389 185 HE1 HIS 48 HE1 HIS 48 14.023 -1.399 -6.489 186 HE2 HIS 48 HE2 HIS 48 16.501 -0.960 -6.681 187 H PHE 49 HN PHE 49 16.639 0.866 -1.940 188 HA PHE 49 HA PHE 49 19.157 2.236 -2.560 189 HB2 PHE 49 HB2 PHE 49 20.073 0.782 -0.633 190 HB3 PHE 49 HB1 PHE 49 19.104 2.194 -0.232 191 HD1 PHE 49 HD1 PHE 49 16.948 1.969 0.796 192 HD2 PHE 49 HD2 PHE 49 19.181 -1.477 -0.329 193 HE1 PHE 49 HE1 PHE 49 15.459 0.563 2.155 194 HE2 PHE 49 HE2 PHE 49 17.692 -2.887 1.030 195 HZ PHE 49 HZ PHE 49 15.830 -1.866 2.270 196 H LYS 50 HN LYS 50 20.325 1.351 -4.026 197 HA LYS 50 HA LYS 50 19.961 -1.492 -4.680 198 HB2 LYS 50 HB2 LYS 50 19.467 -0.035 -6.536 199 HB3 LYS 50 HB1 LYS 50 20.954 0.865 -6.291 200 HG2 LYS 50 HG2 LYS 50 22.223 -1.193 -6.890 201 HG3 LYS 50 HG1 LYS 50 20.683 -1.958 -7.296 202 HD2 LYS 50 HD2 LYS 50 20.258 -0.354 -9.015 203 HD3 LYS 50 HD1 LYS 50 21.629 0.634 -8.506 204 HE2 LYS 50 HE2 LYS 50 23.120 -1.289 -9.083 205 HE3 LYS 50 HE1 LYS 50 21.711 -2.099 -9.771 206 HZ1 LYS 50 HZ1 LYS 50 21.453 -0.328 -11.346 207 HZ2 LYS 50 HZ2 LYS 50 23.054 -0.888 -11.431 208 HZ3 LYS 50 HZ3 LYS 50 22.703 0.563 -10.630 209 H LEU 51 HN LEU 51 21.494 -2.753 -3.870 210 HA LEU 51 HA LEU 51 24.250 -1.736 -3.796 211 HB2 LEU 51 HB2 LEU 51 23.347 -1.790 -1.529 212 HB3 LEU 51 HB1 LEU 51 22.873 -3.464 -1.739 213 HG LEU 51 HG LEU 51 25.250 -4.103 -1.930 214 HD11 LEU 51 HD11 LEU 51 26.122 -2.011 -2.816 215 HD12 LEU 51 HD12 LEU 51 26.985 -2.485 -1.352 216 HD13 LEU 51 HD13 LEU 51 25.772 -1.206 -1.287 217 HD21 LEU 51 HD21 LEU 51 24.110 -4.182 0.234 218 HD22 LEU 51 HD22 LEU 51 24.602 -2.520 0.554 219 HD23 LEU 51 HD23 LEU 51 25.819 -3.786 0.414 220 H ILE 52 HN ILE 52 25.469 -2.875 -5.165 221 HA ILE 52 HA ILE 52 25.070 -5.788 -5.156 222 HB ILE 52 HB ILE 52 25.727 -5.991 -7.462 223 HG12 ILE 52 HG12 ILE 52 25.667 -3.557 -8.698 224 HG13 ILE 52 HG11 ILE 52 26.481 -3.151 -7.190 225 HG21 ILE 52 HG21 ILE 52 23.376 -5.675 -7.060 226 HG22 ILE 52 HG22 ILE 52 23.829 -4.901 -8.577 227 HG23 ILE 52 HG23 ILE 52 23.566 -3.923 -7.134 228 HD11 ILE 52 HD11 ILE 52 27.330 -5.216 -9.203 229 HD12 ILE 52 HD12 ILE 52 28.116 -4.945 -7.647 230 HD13 ILE 52 HD13 ILE 52 28.106 -3.669 -8.865 231 H ASN 53 HN ASN 53 26.763 -6.910 -4.529 232 HA ASN 53 HA ASN 53 29.418 -5.683 -4.759 233 HB2 ASN 53 HB2 ASN 53 28.899 -5.556 -2.433 234 HB3 ASN 53 HB1 ASN 53 28.306 -7.214 -2.406 235 HD21 ASN 53 HD21 ASN 53 31.149 -5.207 -2.714 236 HD22 ASN 53 HD22 ASN 53 32.295 -6.412 -2.218 237 H ASP 54 HN ASP 54 30.354 -6.759 -6.332 238 HA ASP 54 HA ASP 54 30.033 -9.662 -6.502 239 HB2 ASP 54 HB2 ASP 54 29.872 -8.216 -8.548 240 HB3 ASP 54 HB1 ASP 54 31.565 -7.795 -8.327 241 H SER 55 HN SER 55 32.262 -7.183 -5.648 242 HA SER 55 HA SER 55 34.306 -7.130 -4.690 243 HB2 SER 55 HB2 SER 55 32.996 -8.766 -3.154 244 HB3 SER 55 HB1 SER 55 33.980 -10.016 -3.909 245 HG SER 55 HG SER 55 34.723 -7.930 -2.194 246 H HIS 56 HN HIS 56 36.374 -8.888 -4.434 247 HA HIS 56 HA HIS 56 36.850 -10.580 -6.621 248 HB2 HIS 56 HB2 HIS 56 36.890 -8.089 -7.592 249 HB3 HIS 56 HB1 HIS 56 38.543 -8.151 -6.985 250 HD1 HIS 56 HD1 HIS 56 39.438 -8.056 -9.446 251 HD2 HIS 56 HD2 HIS 56 37.103 -11.388 -8.573 252 HE1 HIS 56 HE1 HIS 56 39.766 -9.638 -11.368 253 HE2 HIS 56 HE2 HIS 56 38.140 -11.510 -10.940 254 H LYS 57 HN LYS 57 37.641 -11.830 -4.958 255 HA LYS 57 HA LYS 57 40.211 -10.935 -3.813 256 HB2 LYS 57 HB2 LYS 57 38.322 -11.388 -2.196 257 HB3 LYS 57 HB1 LYS 57 38.373 -13.068 -2.707 258 HG2 LYS 57 HG2 LYS 57 40.657 -13.263 -1.900 259 HG3 LYS 57 HG1 LYS 57 40.644 -11.561 -1.429 260 HD2 LYS 57 HD2 LYS 57 38.727 -12.066 0.082 261 HD3 LYS 57 HD1 LYS 57 38.929 -13.774 -0.312 262 HE2 LYS 57 HE2 LYS 57 41.006 -12.002 0.971 263 HE3 LYS 57 HE1 LYS 57 40.004 -13.184 1.810 264 HZ1 LYS 57 HZ1 LYS 57 42.117 -13.708 -0.208 265 HZ2 LYS 57 HZ2 LYS 57 41.021 -14.894 0.312 266 HZ3 LYS 57 HZ3 LYS 57 42.088 -14.186 1.421 267 H HIS 58 HN HIS 58 38.462 -13.355 -5.553 268 HA HIS 58 HA HIS 58 41.002 -14.623 -6.284 269 HB2 HIS 58 HB2 HIS 58 38.635 -15.901 -5.058 270 HB3 HIS 58 HB1 HIS 58 39.323 -16.740 -6.441 271 HD1 HIS 58 HD1 HIS 58 39.762 -16.222 -2.853 272 HD2 HIS 58 HD2 HIS 58 42.096 -17.492 -6.055 273 HE1 HIS 58 HE1 HIS 58 41.742 -17.398 -1.833 274 HE2 HIS 58 HE2 HIS 58 43.025 -18.336 -3.795 275 H ALA 59 HN ALA 59 41.250 -14.435 -8.399 276 HA ALA 59 HA ALA 59 38.864 -14.591 -10.117 277 HB1 ALA 59 HB1 ALA 59 40.250 -13.580 -11.869 278 HB2 ALA 59 HB2 ALA 59 41.624 -13.547 -10.764 279 HB3 ALA 59 HB3 ALA 59 40.198 -12.564 -10.427 280 H GLY 60 HN GLY 60 41.653 -16.185 -9.070 281 HA2 GLY 60 HA2 GLY 60 41.554 -18.643 -9.774 282 HA3 GLY 60 HA1 GLY 60 41.718 -17.975 -11.398 283 H HIS 61 HN HIS 61 43.730 -18.497 -12.023 284 HA HIS 61 HA HIS 61 45.934 -17.799 -10.186 285 HB2 HIS 61 HB2 HIS 61 45.685 -20.204 -11.055 286 HB3 HIS 61 HB1 HIS 61 46.166 -19.570 -12.624 287 HD1 HIS 61 HD1 HIS 61 47.483 -20.176 -9.152 288 HD2 HIS 61 HD2 HIS 61 48.888 -19.112 -12.919 289 HE1 HIS 61 HE1 HIS 61 49.988 -20.309 -9.003 290 HE2 HIS 61 HE2 HIS 61 50.806 -19.859 -11.347 291 H TYR 62 HN TYR 62 44.235 -16.291 -12.274 292 HA TYR 62 HA TYR 62 45.913 -15.556 -14.423 293 HB2 TYR 62 HB2 TYR 62 43.625 -13.999 -13.205 294 HB3 TYR 62 HB1 TYR 62 44.348 -13.702 -14.779 295 HD1 TYR 62 HD1 TYR 62 41.827 -15.437 -12.987 296 HD2 TYR 62 HD2 TYR 62 44.198 -15.612 -16.509 297 HE1 TYR 62 HE1 TYR 62 40.202 -16.979 -13.993 298 HE2 TYR 62 HE2 TYR 62 42.580 -17.159 -17.530 299 HH TYR 62 HH TYR 62 39.483 -17.697 -16.212 300 H ALA 63 HN ALA 63 47.435 -14.069 -14.639 301 HA ALA 63 HA ALA 63 48.800 -12.291 -14.298 302 HB1 ALA 63 HB1 ALA 63 48.020 -10.387 -13.023 303 HB2 ALA 63 HB2 ALA 63 46.750 -11.368 -12.290 304 HB3 ALA 63 HB3 ALA 63 46.712 -11.026 -14.020 305 H ARG 64 HN ARG 64 48.790 -14.769 -12.526 306 HA ARG 64 HA ARG 64 49.826 -14.104 -10.003 307 HB2 ARG 64 HB2 ARG 64 49.175 -16.389 -10.528 308 HB3 ARG 64 HB1 ARG 64 50.408 -16.486 -11.777 309 HG2 ARG 64 HG2 ARG 64 51.170 -17.673 -9.851 310 HG3 ARG 64 HG1 ARG 64 52.138 -16.209 -10.027 311 HD2 ARG 64 HD2 ARG 64 50.553 -15.131 -8.372 312 HD3 ARG 64 HD1 ARG 64 49.921 -16.749 -8.068 313 HE ARG 64 HE ARG 64 52.736 -15.971 -7.618 314 HH11 ARG 64 HH11 ARG 64 49.866 -17.786 -6.716 315 HH12 ARG 64 HH12 ARG 64 50.619 -18.530 -5.343 316 HH21 ARG 64 HH21 ARG 64 53.704 -16.911 -5.777 317 HH22 ARG 64 HH22 ARG 64 52.781 -18.012 -4.790 318 H ASP 65 HN ASP 65 51.548 -12.947 -9.543 319 HA ASP 65 HA ASP 65 53.611 -12.027 -9.553 320 HB2 ASP 65 HB2 ASP 65 54.169 -14.346 -11.386 321 HB3 ASP 65 HB1 ASP 65 55.392 -13.118 -11.075 322 H GLY 66 HN GLY 66 52.854 -12.932 -12.914 323 HA2 GLY 66 HA2 GLY 66 53.803 -10.387 -13.899 324 HA3 GLY 66 HA1 GLY 66 53.065 -11.670 -14.849 325 H SER 67 HN SER 67 52.219 -9.341 -12.312 326 HA SER 67 HA SER 67 49.451 -9.353 -13.043 327 HB2 SER 67 HB2 SER 67 49.399 -7.399 -11.373 328 HB3 SER 67 HB1 SER 67 49.874 -8.980 -10.751 329 HG SER 67 HG SER 67 51.441 -6.689 -11.223 330 H THR 68 HN THR 68 48.621 -8.300 -14.704 331 HA THR 68 HA THR 68 50.060 -6.256 -16.088 332 HB THR 68 HB THR 68 48.642 -7.741 -17.357 333 HG1 THR 68 HG1 THR 68 48.501 -6.008 -18.556 334 HG21 THR 68 HG21 THR 68 46.216 -7.761 -17.145 335 HG22 THR 68 HG22 THR 68 46.306 -6.604 -15.818 336 HG23 THR 68 HG23 THR 68 46.975 -8.226 -15.621 337 H ALA 69 HN ALA 69 47.240 -6.337 -13.965 338 HA ALA 69 HA ALA 69 46.201 -4.802 -12.692 339 HB1 ALA 69 HB1 ALA 69 47.504 -2.999 -11.735 340 HB2 ALA 69 HB2 ALA 69 48.766 -3.244 -12.944 341 HB3 ALA 69 HB3 ALA 69 48.432 -4.499 -11.749 342 H SER 70 HN SER 70 44.536 -4.172 -13.944 343 HA SER 70 HA SER 70 44.828 -1.506 -15.123 344 HB2 SER 70 HB2 SER 70 44.834 -3.225 -16.957 345 HB3 SER 70 HB1 SER 70 43.227 -3.722 -16.434 346 HG SER 70 HG SER 70 42.965 -1.183 -16.718 347 H ASP 71 HN ASP 71 41.899 -3.342 -15.453 348 HA ASP 71 HA ASP 71 39.821 -3.092 -14.586 349 HB2 ASP 71 HB2 ASP 71 41.492 -3.162 -12.073 350 HB3 ASP 71 HB1 ASP 71 39.734 -3.250 -12.064 351 H ALA 72 HN ALA 72 40.707 -1.427 -11.746 352 HA ALA 72 HA ALA 72 40.317 0.624 -10.915 353 HB1 ALA 72 HB1 ALA 72 41.938 1.345 -12.595 354 HB2 ALA 72 HB2 ALA 72 40.709 2.575 -12.302 355 HB3 ALA 72 HB3 ALA 72 40.632 1.577 -13.755 356 H GLY 73 HN GLY 73 38.745 1.171 -14.057 357 HA2 GLY 73 HA2 GLY 73 36.441 2.242 -12.663 358 HA3 GLY 73 HA1 GLY 73 36.724 2.270 -14.397 359 H GLU 74 HN GLU 74 37.155 -0.799 -13.014 360 HA GLU 74 HA GLU 74 34.963 -1.920 -14.403 361 HB2 GLU 74 HB2 GLU 74 36.937 -3.253 -13.911 362 HB3 GLU 74 HB1 GLU 74 36.668 -3.073 -12.185 363 HG2 GLU 74 HG2 GLU 74 35.977 -5.263 -12.886 364 HG3 GLU 74 HG1 GLU 74 34.565 -4.330 -12.396 365 H THR 75 HN THR 75 35.486 -1.051 -11.030 366 HA THR 75 HA THR 75 34.141 -0.862 -9.231 367 HB THR 75 HB THR 75 31.982 0.227 -9.538 368 HG1 THR 75 HG1 THR 75 31.985 -1.052 -11.878 369 HG21 THR 75 HG21 THR 75 34.064 1.253 -11.464 370 HG22 THR 75 HG22 THR 75 33.964 1.617 -9.742 371 HG23 THR 75 HG23 THR 75 32.703 2.182 -10.837 372 H HIS 76 HN HIS 76 33.961 -2.832 -8.291 373 HA HIS 76 HA HIS 76 31.902 -4.654 -9.342 374 HB2 HIS 76 HB2 HIS 76 34.387 -5.112 -7.747 375 HB3 HIS 76 HB1 HIS 76 33.057 -6.252 -7.602 376 HD1 HIS 76 HD1 HIS 76 32.163 -6.504 -10.524 377 HD2 HIS 76 HD2 HIS 76 36.145 -6.415 -9.318 378 HE1 HIS 76 HE1 HIS 76 33.451 -7.665 -12.343 379 HE2 HIS 76 HE2 HIS 76 35.875 -7.412 -11.690 380 H PHE 77 HN PHE 77 32.519 -2.464 -6.880 381 HA PHE 77 HA PHE 77 30.115 -3.429 -5.475 382 HB2 PHE 77 HB2 PHE 77 32.040 -3.766 -4.042 383 HB3 PHE 77 HB1 PHE 77 32.602 -2.128 -4.340 384 HD1 PHE 77 HD1 PHE 77 31.792 -0.307 -3.081 385 HD2 PHE 77 HD2 PHE 77 30.006 -4.148 -2.673 386 HE1 PHE 77 HE1 PHE 77 30.590 0.469 -1.083 387 HE2 PHE 77 HE2 PHE 77 28.799 -3.376 -0.675 388 HZ PHE 77 HZ PHE 77 29.090 -1.064 0.121 389 H ARG 78 HN ARG 78 28.508 -1.985 -5.349 390 HA ARG 78 HA ARG 78 29.079 0.851 -5.443 391 HB2 ARG 78 HB2 ARG 78 27.410 1.219 -7.284 392 HB3 ARG 78 HB1 ARG 78 28.915 0.466 -7.790 393 HG2 ARG 78 HG2 ARG 78 27.696 -1.752 -7.580 394 HG3 ARG 78 HG1 ARG 78 26.216 -0.799 -7.459 395 HD2 ARG 78 HD2 ARG 78 28.182 -0.606 -9.738 396 HD3 ARG 78 HD1 ARG 78 26.736 -1.611 -9.758 397 HE ARG 78 HE ARG 78 25.662 0.758 -9.219 398 HH11 ARG 78 HH11 ARG 78 28.094 -0.158 -11.577 399 HH12 ARG 78 HH12 ARG 78 27.664 1.097 -12.704 400 HH21 ARG 78 HH21 ARG 78 25.080 2.402 -10.685 401 HH22 ARG 78 HH22 ARG 78 25.932 2.552 -12.200 402 H LEU 79 HN LEU 79 27.706 1.977 -4.227 403 HA LEU 79 HA LEU 79 25.190 0.679 -3.433 404 HB2 LEU 79 HB2 LEU 79 26.817 0.855 -1.576 405 HB3 LEU 79 HB1 LEU 79 26.896 2.587 -1.821 406 HG LEU 79 HG LEU 79 24.650 2.885 -1.042 407 HD11 LEU 79 HD11 LEU 79 24.474 -0.126 -0.927 408 HD12 LEU 79 HD12 LEU 79 23.623 0.922 -2.062 409 HD13 LEU 79 HD13 LEU 79 23.250 1.001 -0.341 410 HD21 LEU 79 HD21 LEU 79 24.822 2.019 1.232 411 HD22 LEU 79 HD22 LEU 79 26.368 2.661 0.672 412 HD23 LEU 79 HD23 LEU 79 26.100 0.917 0.718 413 H GLU 80 HN GLU 80 23.477 1.667 -4.199 414 HA GLU 80 HA GLU 80 23.681 4.506 -4.967 415 HB2 GLU 80 HB2 GLU 80 22.402 2.241 -6.517 416 HB3 GLU 80 HB1 GLU 80 22.358 3.939 -6.983 417 HG2 GLU 80 HG2 GLU 80 24.719 3.976 -7.328 418 HG3 GLU 80 HG1 GLU 80 24.898 2.367 -6.631 419 H VAL 81 HN VAL 81 21.855 5.755 -4.626 420 HA VAL 81 HA VAL 81 19.500 4.381 -3.528 421 HB VAL 81 HB VAL 81 19.157 6.144 -1.867 422 HG11 VAL 81 HG11 VAL 81 21.867 4.843 -1.682 423 HG12 VAL 81 HG12 VAL 81 20.332 4.165 -1.139 424 HG13 VAL 81 HG13 VAL 81 21.005 5.585 -0.335 425 HG21 VAL 81 HG21 VAL 81 20.254 7.999 -2.958 426 HG22 VAL 81 HG22 VAL 81 21.820 7.205 -2.790 427 HG23 VAL 81 HG23 VAL 81 20.949 7.749 -1.355 428 H THR 82 HN THR 82 17.629 5.021 -4.336 429 HA THR 82 HA THR 82 17.533 7.432 -5.994 430 HB THR 82 HB THR 82 16.055 4.827 -6.462 431 HG1 THR 82 HG1 THR 82 18.541 5.656 -7.177 432 HG21 THR 82 HG21 THR 82 15.398 5.825 -8.598 433 HG22 THR 82 HG22 THR 82 16.230 7.318 -8.162 434 HG23 THR 82 HG23 THR 82 14.818 6.796 -7.243 435 H SER 83 HN SER 83 16.280 8.868 -4.989 436 HA SER 83 HA SER 83 13.905 7.925 -3.530 437 HB2 SER 83 HB2 SER 83 15.159 10.649 -3.225 438 HB3 SER 83 HB1 SER 83 14.086 9.803 -2.108 439 HG SER 83 HG SER 83 15.941 8.201 -2.053 440 H ASP 84 HN ASP 84 12.141 8.115 -4.727 441 HA ASP 84 HA ASP 84 10.404 9.117 -5.808 442 HB2 ASP 84 HB2 ASP 84 11.628 11.283 -4.674 443 HB3 ASP 84 HB1 ASP 84 11.693 11.696 -6.383 444 H ALA 85 HN ALA 85 13.479 8.728 -6.999 445 HA ALA 85 HA ALA 85 14.296 8.139 -9.026 446 HB1 ALA 85 HB1 ALA 85 12.302 6.720 -9.109 447 HB2 ALA 85 HB2 ALA 85 12.771 7.293 -10.710 448 HB3 ALA 85 HB3 ALA 85 11.405 8.033 -9.873 449 H PHE 86 HN PHE 86 13.929 10.984 -8.401 450 HA PHE 86 HA PHE 86 14.233 11.980 -11.101 451 HB2 PHE 86 HB2 PHE 86 11.835 12.364 -10.639 452 HB3 PHE 86 HB1 PHE 86 12.261 13.238 -9.171 453 HD1 PHE 86 HD1 PHE 86 12.748 15.533 -9.244 454 HD2 PHE 86 HD2 PHE 86 12.613 13.294 -12.864 455 HE1 PHE 86 HE1 PHE 86 12.905 17.620 -10.538 456 HE2 PHE 86 HE2 PHE 86 12.769 15.379 -14.159 457 HZ PHE 86 HZ PHE 86 12.918 17.543 -12.999 458 H LYS 87 HN LYS 87 16.324 12.416 -10.744 459 HA LYS 87 HA LYS 87 17.355 13.413 -8.317 460 HB2 LYS 87 HB2 LYS 87 18.518 12.214 -10.331 461 HB3 LYS 87 HB1 LYS 87 18.693 13.840 -10.971 462 HG2 LYS 87 HG2 LYS 87 19.774 12.858 -8.338 463 HG3 LYS 87 HG1 LYS 87 20.704 13.106 -9.816 464 HD2 LYS 87 HD2 LYS 87 19.114 15.314 -8.574 465 HD3 LYS 87 HD1 LYS 87 20.745 14.936 -8.005 466 HE2 LYS 87 HE2 LYS 87 20.908 16.710 -9.612 467 HE3 LYS 87 HE1 LYS 87 21.576 15.249 -10.331 468 HZ1 LYS 87 HZ1 LYS 87 18.825 16.254 -10.834 469 HZ2 LYS 87 HZ2 LYS 87 19.590 14.961 -11.618 470 HZ3 LYS 87 HZ3 LYS 87 20.148 16.543 -11.850 471 H GLY 88 HN GLY 88 17.145 15.380 -7.495 472 HA2 GLY 88 HA2 GLY 88 17.275 17.703 -9.281 473 HA3 GLY 88 HA1 GLY 88 15.874 17.551 -8.231 474 H LEU 89 HN LEU 89 17.967 16.206 -6.312 475 HA LEU 89 HA LEU 89 18.953 18.752 -5.213 476 HB2 LEU 89 HB2 LEU 89 17.131 17.383 -3.963 477 HB3 LEU 89 HB1 LEU 89 18.433 16.278 -3.580 478 HG LEU 89 HG LEU 89 17.830 17.963 -1.793 479 HD11 LEU 89 HD11 LEU 89 20.172 18.445 -1.196 480 HD12 LEU 89 HD12 LEU 89 20.670 17.900 -2.797 481 HD13 LEU 89 HD13 LEU 89 19.916 16.768 -1.675 482 HD21 LEU 89 HD21 LEU 89 18.696 20.217 -2.020 483 HD22 LEU 89 HD22 LEU 89 17.506 19.879 -3.278 484 HD23 LEU 89 HD23 LEU 89 19.227 19.867 -3.665 485 H THR 90 HN THR 90 21.069 18.853 -4.586 486 HA THR 90 HA THR 90 22.964 17.520 -6.022 487 HB THR 90 HB THR 90 23.514 18.575 -3.252 488 HG1 THR 90 HG1 THR 90 23.826 20.597 -4.651 489 HG21 THR 90 HG21 THR 90 25.628 19.270 -4.282 490 HG22 THR 90 HG22 THR 90 25.102 18.590 -5.823 491 HG23 THR 90 HG23 THR 90 25.388 17.529 -4.443 492 H LEU 91 HN LEU 91 23.770 15.564 -6.033 493 HA LEU 91 HA LEU 91 22.608 13.596 -4.383 494 HB2 LEU 91 HB2 LEU 91 23.622 12.017 -5.753 495 HB3 LEU 91 HB1 LEU 91 23.331 13.387 -6.800 496 HG LEU 91 HG LEU 91 26.013 12.748 -5.567 497 HD11 LEU 91 HD11 LEU 91 26.622 11.897 -7.770 498 HD12 LEU 91 HD12 LEU 91 24.975 12.172 -8.340 499 HD13 LEU 91 HD13 LEU 91 25.285 10.973 -7.084 500 HD21 LEU 91 HD21 LEU 91 25.713 15.103 -6.180 501 HD22 LEU 91 HD22 LEU 91 25.237 14.617 -7.806 502 HD23 LEU 91 HD23 LEU 91 26.876 14.303 -7.236 503 H VAL 92 HN VAL 92 25.568 15.351 -4.055 504 HA VAL 92 HA VAL 92 27.209 13.452 -2.851 505 HB VAL 92 HB VAL 92 28.495 15.317 -1.913 506 HG11 VAL 92 HG11 VAL 92 27.565 15.787 -4.740 507 HG12 VAL 92 HG12 VAL 92 28.826 14.662 -4.239 508 HG13 VAL 92 HG13 VAL 92 29.057 16.399 -4.029 509 HG21 VAL 92 HG21 VAL 92 26.654 16.772 -1.252 510 HG22 VAL 92 HG22 VAL 92 26.244 17.043 -2.946 511 HG23 VAL 92 HG23 VAL 92 27.780 17.629 -2.305 512 H LYS 93 HN LYS 93 24.500 15.115 -1.489 513 HA LYS 93 HA LYS 93 25.269 14.943 1.234 514 HB2 LYS 93 HB2 LYS 93 23.501 16.459 0.500 515 HB3 LYS 93 HB1 LYS 93 22.509 15.093 0.007 516 HG2 LYS 93 HG2 LYS 93 22.285 14.363 2.287 517 HG3 LYS 93 HG1 LYS 93 23.408 15.611 2.831 518 HD2 LYS 93 HD2 LYS 93 21.850 17.340 2.094 519 HD3 LYS 93 HD1 LYS 93 20.731 16.098 1.528 520 HE2 LYS 93 HE2 LYS 93 20.363 15.307 3.743 521 HE3 LYS 93 HE1 LYS 93 21.673 16.301 4.379 522 HZ1 LYS 93 HZ1 LYS 93 20.420 18.258 4.001 523 HZ2 LYS 93 HZ2 LYS 93 19.387 17.167 4.793 524 HZ3 LYS 93 HZ3 LYS 93 19.231 17.429 3.123 525 H ARG 94 HN ARG 94 23.671 12.736 -0.973 526 HA ARG 94 HA ARG 94 22.748 10.947 1.041 527 HB2 ARG 94 HB2 ARG 94 22.766 11.057 -1.888 528 HB3 ARG 94 HB1 ARG 94 22.884 9.427 -1.235 529 HG2 ARG 94 HG2 ARG 94 20.754 9.416 -0.564 530 HG3 ARG 94 HG1 ARG 94 20.847 11.062 0.067 531 HD2 ARG 94 HD2 ARG 94 20.755 10.539 -2.883 532 HD3 ARG 94 HD1 ARG 94 19.276 10.581 -1.924 533 HE ARG 94 HE ARG 94 20.176 12.879 -1.196 534 HH11 ARG 94 HH11 ARG 94 20.651 11.493 -4.377 535 HH12 ARG 94 HH12 ARG 94 20.695 13.029 -5.175 536 HH21 ARG 94 HH21 ARG 94 20.215 14.890 -2.246 537 HH22 ARG 94 HH22 ARG 94 20.447 14.965 -3.966 538 H HIS 95 HN HIS 95 25.725 11.346 -0.676 539 HA HIS 95 HA HIS 95 26.989 8.904 -0.211 540 HB2 HIS 95 HB2 HIS 95 28.015 10.608 -1.600 541 HB3 HIS 95 HB1 HIS 95 28.111 11.717 -0.243 542 HD1 HIS 95 HD1 HIS 95 30.016 9.147 -2.027 543 HD2 HIS 95 HD2 HIS 95 30.088 10.910 1.747 544 HE1 HIS 95 HE1 HIS 95 32.271 8.602 -1.058 545 HE2 HIS 95 HE2 HIS 95 32.242 9.558 1.273 546 H GLN 96 HN GLN 96 26.628 11.734 1.881 547 HA GLN 96 HA GLN 96 28.167 10.623 4.019 548 HB2 GLN 96 HB2 GLN 96 28.041 13.011 3.818 549 HB3 GLN 96 HB1 GLN 96 26.284 12.978 3.877 550 HG2 GLN 96 HG2 GLN 96 27.286 13.750 5.972 551 HG3 GLN 96 HG1 GLN 96 26.331 12.286 6.185 552 HE21 GLN 96 HE21 GLN 96 27.369 11.666 8.045 553 HE22 GLN 96 HE22 GLN 96 29.008 11.104 8.070 554 H LEU 97 HN LEU 97 24.742 10.779 3.234 555 HA LEU 97 HA LEU 97 23.673 10.151 5.725 556 HB2 LEU 97 HB2 LEU 97 22.603 9.458 2.993 557 HB3 LEU 97 HB1 LEU 97 21.678 9.380 4.480 558 HG LEU 97 HG LEU 97 22.844 11.890 3.266 559 HD11 LEU 97 HD11 LEU 97 20.967 11.053 1.984 560 HD12 LEU 97 HD12 LEU 97 20.496 12.496 2.884 561 HD13 LEU 97 HD13 LEU 97 20.003 10.901 3.453 562 HD21 LEU 97 HD21 LEU 97 21.614 13.067 5.003 563 HD22 LEU 97 HD22 LEU 97 22.785 11.957 5.714 564 HD23 LEU 97 HD23 LEU 97 21.076 11.530 5.681 565 H ILE 98 HN ILE 98 24.751 7.970 3.145 566 HA ILE 98 HA ILE 98 24.075 5.691 4.860 567 HB ILE 98 HB ILE 98 24.453 4.282 2.887 568 HG12 ILE 98 HG12 ILE 98 25.054 6.919 1.534 569 HG13 ILE 98 HG11 ILE 98 26.152 5.557 1.751 570 HG21 ILE 98 HG21 ILE 98 22.527 5.079 1.567 571 HG22 ILE 98 HG22 ILE 98 22.596 6.612 2.434 572 HG23 ILE 98 HG23 ILE 98 22.225 5.124 3.304 573 HD11 ILE 98 HD11 ILE 98 25.350 5.665 -0.528 574 HD12 ILE 98 HD12 ILE 98 23.681 5.586 0.033 575 HD13 ILE 98 HD13 ILE 98 24.756 4.207 0.265 576 H TYR 99 HN TYR 99 26.809 7.308 3.396 577 HA TYR 99 HA TYR 99 29.041 6.925 3.347 578 HB2 TYR 99 HB2 TYR 99 30.064 6.685 5.588 579 HB3 TYR 99 HB1 TYR 99 28.829 7.928 5.513 580 HD1 TYR 99 HD1 TYR 99 29.646 4.578 6.803 581 HD2 TYR 99 HD2 TYR 99 26.844 7.781 6.842 582 HE1 TYR 99 HE1 TYR 99 28.554 3.594 8.770 583 HE2 TYR 99 HE2 TYR 99 25.744 6.800 8.806 584 HH TYR 99 HH TYR 99 25.505 4.581 9.864 585 H GLY 100 HN GLY 100 27.516 4.546 2.612 586 HA2 GLY 100 HA2 GLY 100 29.202 2.366 3.617 587 HA3 GLY 100 HA1 GLY 100 27.684 2.176 2.755 588 H LEU 101 HN LEU 101 29.524 4.515 1.279 589 HA LEU 101 HA LEU 101 29.555 3.083 -1.123 590 HB2 LEU 101 HB2 LEU 101 31.052 5.599 -0.395 591 HB3 LEU 101 HB1 LEU 101 30.872 4.978 -2.022 592 HG LEU 101 HG LEU 101 29.287 6.676 -1.888 593 HD11 LEU 101 HD11 LEU 101 27.101 5.558 -1.913 594 HD12 LEU 101 HD12 LEU 101 27.849 4.117 -1.227 595 HD13 LEU 101 HD13 LEU 101 28.325 4.681 -2.829 596 HD21 LEU 101 HD21 LEU 101 29.418 7.044 0.525 597 HD22 LEU 101 HD22 LEU 101 28.417 5.617 0.794 598 HD23 LEU 101 HD23 LEU 101 27.749 7.018 -0.043 599 H LEU 102 HN LEU 102 32.050 3.469 1.321 600 HA LEU 102 HA LEU 102 33.816 1.864 -0.399 601 HB2 LEU 102 HB2 LEU 102 34.627 4.177 -0.176 602 HB3 LEU 102 HB1 LEU 102 34.664 3.989 1.567 603 HG LEU 102 HG LEU 102 36.371 2.224 1.336 604 HD11 LEU 102 HD11 LEU 102 37.477 1.893 -0.827 605 HD12 LEU 102 HD12 LEU 102 36.274 2.926 -1.597 606 HD13 LEU 102 HD13 LEU 102 35.785 1.396 -0.870 607 HD21 LEU 102 HD21 LEU 102 37.102 4.791 -0.067 608 HD22 LEU 102 HD22 LEU 102 38.218 3.673 0.718 609 HD23 LEU 102 HD23 LEU 102 37.033 4.559 1.679 610 H SER 103 HN SER 103 33.784 -0.117 0.391 611 HA SER 103 HA SER 103 34.807 -0.549 3.053 612 HB2 SER 103 HB2 SER 103 32.102 -1.664 2.267 613 HB3 SER 103 HB1 SER 103 32.997 -2.099 3.721 614 HG SER 103 HG SER 103 32.814 0.566 3.575 615 H ASP 104 HN ASP 104 32.967 -2.685 0.897 616 HA ASP 104 HA ASP 104 35.002 -4.693 1.141 617 HB2 ASP 104 HB2 ASP 104 32.548 -5.187 1.110 618 HB3 ASP 104 HB1 ASP 104 32.527 -4.740 -0.593 619 H GLU 105 HN GLU 105 34.204 -2.264 -1.199 620 HA GLU 105 HA GLU 105 35.327 -3.425 -3.496 621 HB2 GLU 105 HB2 GLU 105 33.883 -1.372 -3.441 622 HB3 GLU 105 HB1 GLU 105 35.267 -0.476 -2.830 623 HG2 GLU 105 HG2 GLU 105 35.096 -0.080 -5.170 624 HG3 GLU 105 HG1 GLU 105 36.507 -1.099 -4.891 625 H PHE 106 HN PHE 106 36.772 -1.769 -0.773 626 HA PHE 106 HA PHE 106 39.355 -1.400 -1.893 627 HB2 PHE 106 HB2 PHE 106 38.556 -0.211 0.130 628 HB3 PHE 106 HB1 PHE 106 38.553 -1.734 1.010 629 HD1 PHE 106 HD1 PHE 106 40.502 -2.528 2.049 630 HD2 PHE 106 HD2 PHE 106 40.748 0.687 -0.729 631 HE1 PHE 106 HE1 PHE 106 42.842 -2.147 2.701 632 HE2 PHE 106 HE2 PHE 106 43.090 1.070 -0.081 633 HZ PHE 106 HZ PHE 106 44.139 -0.347 1.638 634 H LYS 107 HN LYS 107 37.717 -4.024 -0.326 635 HA LYS 107 HA LYS 107 39.981 -5.755 -0.061 636 HB2 LYS 107 HB2 LYS 107 38.274 -6.275 1.418 637 HB3 LYS 107 HB1 LYS 107 37.015 -5.956 0.238 638 HG2 LYS 107 HG2 LYS 107 37.706 -8.073 -0.925 639 HG3 LYS 107 HG1 LYS 107 38.735 -8.406 0.476 640 HD2 LYS 107 HD2 LYS 107 36.936 -8.653 1.904 641 HD3 LYS 107 HD1 LYS 107 35.863 -7.694 0.885 642 HE2 LYS 107 HE2 LYS 107 36.068 -9.588 -0.811 643 HE3 LYS 107 HE1 LYS 107 36.764 -10.532 0.509 644 HZ1 LYS 107 HZ1 LYS 107 34.096 -9.225 0.544 645 HZ2 LYS 107 HZ2 LYS 107 34.756 -10.165 1.788 646 HZ3 LYS 107 HZ3 LYS 107 34.372 -10.884 0.303 647 H ALA 108 HN ALA 108 37.468 -5.172 -2.433 648 HA ALA 108 HA ALA 108 38.093 -7.369 -4.133 649 HB1 ALA 108 HB1 ALA 108 36.672 -6.231 -5.770 650 HB2 ALA 108 HB2 ALA 108 36.654 -4.792 -4.750 651 HB3 ALA 108 HB3 ALA 108 35.907 -6.283 -4.181 652 H GLY 109 HN GLY 109 39.100 -4.003 -3.955 653 HA2 GLY 109 HA2 GLY 109 41.278 -3.298 -4.564 654 HA3 GLY 109 HA1 GLY 109 41.405 -4.687 -5.633 655 H LEU 110 HN LEU 110 38.449 -3.008 -5.824 656 HA LEU 110 HA LEU 110 39.324 -1.766 -8.343 657 HB2 LEU 110 HB2 LEU 110 36.569 -2.565 -7.396 658 HB3 LEU 110 HB1 LEU 110 36.867 -1.656 -8.861 659 HG LEU 110 HG LEU 110 36.479 -3.897 -9.507 660 HD11 LEU 110 HD11 LEU 110 38.580 -4.536 -10.563 661 HD12 LEU 110 HD12 LEU 110 39.446 -3.399 -9.528 662 HD13 LEU 110 HD13 LEU 110 38.275 -2.804 -10.707 663 HD21 LEU 110 HD21 LEU 110 38.581 -4.741 -7.519 664 HD22 LEU 110 HD22 LEU 110 37.719 -5.799 -8.635 665 HD23 LEU 110 HD23 LEU 110 36.841 -4.973 -7.347 666 H HIS 111 HN HIS 111 37.748 0.172 -8.861 667 HA HIS 111 HA HIS 111 37.557 1.879 -6.481 668 HB2 HIS 111 HB2 HIS 111 38.816 2.708 -8.542 669 HB3 HIS 111 HB1 HIS 111 37.266 2.728 -9.374 670 HD1 HIS 111 HD1 HIS 111 35.827 4.760 -9.073 671 HD2 HIS 111 HD2 HIS 111 38.977 4.602 -6.355 672 HE1 HIS 111 HE1 HIS 111 35.818 6.979 -7.886 673 HE2 HIS 111 HE2 HIS 111 37.645 6.812 -6.156 674 H ALA 112 HN ALA 112 35.526 2.913 -6.056 675 HA ALA 112 HA ALA 112 33.275 1.443 -7.280 676 HB1 ALA 112 HB1 ALA 112 33.631 0.862 -4.934 677 HB2 ALA 112 HB2 ALA 112 32.108 1.729 -5.140 678 HB3 ALA 112 HB3 ALA 112 33.516 2.564 -4.485 679 H LEU 113 HN LEU 113 31.308 2.581 -7.575 680 HA LEU 113 HA LEU 113 31.478 5.496 -7.381 681 HB2 LEU 113 HB2 LEU 113 30.388 5.749 -9.558 682 HB3 LEU 113 HB1 LEU 113 31.955 4.987 -9.696 683 HG LEU 113 HG LEU 113 30.593 2.763 -9.751 684 HD11 LEU 113 HD11 LEU 113 28.386 2.966 -10.739 685 HD12 LEU 113 HD12 LEU 113 28.485 4.724 -10.643 686 HD13 LEU 113 HD13 LEU 113 28.433 3.763 -9.166 687 HD21 LEU 113 HD21 LEU 113 30.627 4.714 -12.048 688 HD22 LEU 113 HD22 LEU 113 30.364 2.977 -12.190 689 HD23 LEU 113 HD23 LEU 113 31.910 3.589 -11.602 690 H SER 114 HN SER 114 29.470 6.558 -7.141 691 HA SER 114 HA SER 114 27.254 4.751 -6.434 692 HB2 SER 114 HB2 SER 114 26.689 6.332 -4.603 693 HB3 SER 114 HB1 SER 114 28.272 5.584 -4.386 694 HG SER 114 HG SER 114 27.994 8.077 -5.685 695 H MET 115 HN MET 115 25.406 5.181 -7.468 696 HA MET 115 HA MET 115 24.990 7.913 -8.481 697 HB2 MET 115 HB2 MET 115 23.559 5.338 -9.191 698 HB3 MET 115 HB1 MET 115 23.193 6.918 -9.867 699 HG2 MET 115 HG2 MET 115 25.828 5.497 -10.151 700 HG3 MET 115 HG1 MET 115 24.541 5.490 -11.355 701 HE1 MET 115 HE1 MET 115 27.556 6.359 -11.978 702 HE2 MET 115 HE2 MET 115 27.283 7.780 -12.985 703 HE3 MET 115 HE3 MET 115 26.275 6.346 -13.191 704 H THR 116 HN THR 116 23.770 9.145 -7.209 705 HA THR 116 HA THR 116 21.679 7.822 -5.627 706 HB THR 116 HB THR 116 22.126 9.307 -3.740 707 HG1 THR 116 HG1 THR 116 23.197 10.854 -5.380 708 HG21 THR 116 HG21 THR 116 24.298 8.419 -3.016 709 HG22 THR 116 HG22 THR 116 24.636 7.899 -4.667 710 HG23 THR 116 HG23 THR 116 23.310 7.165 -3.766 711 H THR 117 HN THR 117 19.809 8.526 -6.342 712 HA THR 117 HA THR 117 19.637 11.304 -7.291 713 HB THR 117 HB THR 117 17.739 10.485 -8.716 714 HG1 THR 117 HG1 THR 117 18.300 7.970 -8.982 715 HG21 THR 117 HG21 THR 117 19.168 9.471 -10.427 716 HG22 THR 117 HG22 THR 117 20.423 9.192 -9.218 717 HG23 THR 117 HG23 THR 117 19.973 10.840 -9.659 718 H LYS 118 HN LYS 118 18.194 12.597 -6.348 719 HA LYS 118 HA LYS 118 15.816 11.535 -5.084 720 HB2 LYS 118 HB2 LYS 118 17.432 11.554 -3.222 721 HB3 LYS 118 HB1 LYS 118 17.780 13.250 -3.539 722 HG2 LYS 118 HG2 LYS 118 15.476 13.835 -2.992 723 HG3 LYS 118 HG1 LYS 118 15.114 12.136 -2.693 724 HD2 LYS 118 HD2 LYS 118 16.851 12.155 -0.901 725 HD3 LYS 118 HD1 LYS 118 17.003 13.898 -1.140 726 HE2 LYS 118 HE2 LYS 118 14.483 12.435 -0.364 727 HE3 LYS 118 HE1 LYS 118 15.505 13.367 0.726 728 HZ1 LYS 118 HZ1 LYS 118 14.830 15.348 -0.186 729 HZ2 LYS 118 HZ2 LYS 118 13.403 14.439 -0.314 730 HZ3 LYS 118 HZ3 LYS 118 14.391 14.660 -1.669 731 H THR 119 HN THR 119 14.157 13.058 -4.930 732 HA THR 119 HA THR 119 14.103 15.113 -6.828 733 HB THR 119 HB THR 119 12.042 15.789 -5.242 734 HG1 THR 119 HG1 THR 119 11.367 13.517 -4.487 735 HG21 THR 119 HG21 THR 119 10.682 14.195 -6.529 736 HG22 THR 119 HG22 THR 119 12.149 13.362 -7.039 737 HG23 THR 119 HG23 THR 119 11.857 15.026 -7.550 738 HA PRO 120 HA PRO 120 15.666 18.764 -4.912 739 HB2 PRO 120 HB2 PRO 120 13.212 20.227 -5.648 740 HB3 PRO 120 HB1 PRO 120 14.876 20.490 -6.173 741 HG2 PRO 120 HG2 PRO 120 13.040 19.466 -7.827 742 HG3 PRO 120 HG1 PRO 120 14.731 18.930 -7.871 743 HD2 PRO 120 HD2 PRO 120 12.349 17.594 -6.646 744 HD3 PRO 120 HD1 PRO 120 13.687 16.884 -7.574 745 H ALA 121 HN ALA 121 14.922 20.717 -3.507 746 HA ALA 121 HA ALA 121 13.771 19.562 -1.123 747 HB1 ALA 121 HB1 ALA 121 15.753 20.992 -1.011 748 HB2 ALA 121 HB2 ALA 121 14.424 21.657 -0.059 749 HB3 ALA 121 HB3 ALA 121 14.810 22.346 -1.636 750 H GLU 122 HN GLU 122 12.652 21.464 -3.741 751 HA GLU 122 HA GLU 122 10.069 21.763 -2.391 752 HB2 GLU 122 HB2 GLU 122 11.489 23.914 -3.964 753 HB3 GLU 122 HB1 GLU 122 9.781 23.976 -3.557 754 HG2 GLU 122 HG2 GLU 122 10.393 23.904 -1.163 755 HG3 GLU 122 HG1 GLU 122 12.094 23.963 -1.631 756 H GLN 123 HN GLN 123 9.177 20.091 -3.538 757 HA GLN 123 HA GLN 123 7.988 20.847 -5.979 758 HB2 GLN 123 HB2 GLN 123 10.230 20.137 -6.842 759 HB3 GLN 123 HB1 GLN 123 9.914 18.525 -6.211 760 HG2 GLN 123 HG2 GLN 123 8.034 18.262 -7.687 761 HG3 GLN 123 HG1 GLN 123 8.195 19.926 -8.245 762 HE21 GLN 123 HE21 GLN 123 9.867 20.462 -9.638 763 HE22 GLN 123 HE22 GLN 123 10.753 19.265 -10.514 Start of MODEL 3 1 H MET 24 HT3 MET 24 5.090 3.497 2.584 2 HA MET 24 HA MET 24 6.855 2.292 1.511 3 HB2 MET 24 HB2 MET 24 7.479 5.143 2.293 4 HB3 MET 24 HB1 MET 24 8.423 4.259 1.103 5 HG2 MET 24 HG2 MET 24 6.811 5.670 0.005 6 HG3 MET 24 HG1 MET 24 6.424 3.975 -0.272 7 HE1 MET 24 HE1 MET 24 2.903 5.711 -0.199 8 HE2 MET 24 HE2 MET 24 4.013 4.715 -1.139 9 HE3 MET 24 HE3 MET 24 4.399 6.407 -0.822 10 H ALA 25 HN ALA 25 8.002 0.696 2.383 11 HA ALA 25 HA ALA 25 10.513 1.284 3.638 12 HB1 ALA 25 HB1 ALA 25 10.133 0.016 5.689 13 HB2 ALA 25 HB2 ALA 25 8.444 -0.217 5.243 14 HB3 ALA 25 HB3 ALA 25 9.046 1.402 5.597 15 H GLU 26 HN GLU 26 11.951 -0.297 3.192 16 HA GLU 26 HA GLU 26 10.861 -2.739 1.955 17 HB2 GLU 26 HB2 GLU 26 12.080 -1.207 0.401 18 HB3 GLU 26 HB1 GLU 26 13.526 -1.426 1.375 19 HG2 GLU 26 HG2 GLU 26 13.574 -2.825 -0.614 20 HG3 GLU 26 HG1 GLU 26 13.538 -3.804 0.851 21 H HIS 27 HN HIS 27 12.105 -4.709 2.271 22 HA HIS 27 HA HIS 27 13.513 -4.651 4.860 23 HB2 HIS 27 HB2 HIS 27 11.868 -6.879 3.637 24 HB3 HIS 27 HB1 HIS 27 12.771 -7.011 5.143 25 HD1 HIS 27 HD1 HIS 27 11.623 -6.232 7.236 26 HD2 HIS 27 HD2 HIS 27 9.670 -4.979 3.784 27 HE1 HIS 27 HE1 HIS 27 9.470 -5.197 8.013 28 HE2 HIS 27 HE2 HIS 27 8.390 -4.293 5.926 29 H GLN 28 HN GLN 28 15.608 -5.069 4.781 30 HA GLN 28 HA GLN 28 16.660 -6.533 2.444 31 HB2 GLN 28 HB2 GLN 28 17.097 -3.888 3.037 32 HB3 GLN 28 HB1 GLN 28 18.485 -4.657 3.791 33 HG2 GLN 28 HG2 GLN 28 17.683 -5.015 0.914 34 HG3 GLN 28 HG1 GLN 28 18.884 -3.863 1.482 35 HE21 GLN 28 HE21 GLN 28 19.884 -5.782 3.513 36 HE22 GLN 28 HE22 GLN 28 20.818 -6.940 2.622 37 H LEU 29 HN LEU 29 16.900 -8.528 3.400 38 HA LEU 29 HA LEU 29 18.280 -8.625 5.985 39 HB2 LEU 29 HB2 LEU 29 17.517 -11.007 6.030 40 HB3 LEU 29 HB1 LEU 29 16.239 -9.810 6.044 41 HG LEU 29 HG LEU 29 16.151 -10.247 3.472 42 HD11 LEU 29 HD11 LEU 29 18.149 -11.629 3.326 43 HD12 LEU 29 HD12 LEU 29 16.716 -12.545 2.859 44 HD13 LEU 29 HD13 LEU 29 17.440 -12.792 4.448 45 HD21 LEU 29 HD21 LEU 29 14.354 -10.753 5.026 46 HD22 LEU 29 HD22 LEU 29 15.151 -12.260 5.478 47 HD23 LEU 29 HD23 LEU 29 14.536 -12.045 3.839 48 H GLY 30 HN GLY 30 18.767 -9.272 2.658 49 HA2 GLY 30 HA2 GLY 30 20.729 -11.327 2.944 50 HA3 GLY 30 HA1 GLY 30 20.388 -10.409 1.488 51 HA PRO 31 HA PRO 31 24.113 -8.440 3.624 52 HB2 PRO 31 HB2 PRO 31 25.628 -10.196 5.052 53 HB3 PRO 31 HB1 PRO 31 24.308 -9.259 5.754 54 HG2 PRO 31 HG2 PRO 31 24.461 -12.121 5.272 55 HG3 PRO 31 HG1 PRO 31 23.252 -11.211 6.191 56 HD2 PRO 31 HD2 PRO 31 23.119 -12.226 3.447 57 HD3 PRO 31 HD1 PRO 31 21.813 -11.621 4.486 58 H ILE 32 HN ILE 32 24.749 -8.432 1.406 59 HA ILE 32 HA ILE 32 26.231 -10.682 0.353 60 HB ILE 32 HB ILE 32 24.709 -9.366 -1.090 61 HG12 ILE 32 HG12 ILE 32 27.594 -9.200 -1.992 62 HG13 ILE 32 HG11 ILE 32 26.619 -10.666 -2.030 63 HG21 ILE 32 HG21 ILE 32 25.372 -7.161 -1.888 64 HG22 ILE 32 HG22 ILE 32 26.754 -7.175 -0.794 65 HG23 ILE 32 HG23 ILE 32 25.114 -7.159 -0.142 66 HD11 ILE 32 HD11 ILE 32 26.719 -9.649 -4.220 67 HD12 ILE 32 HD12 ILE 32 26.091 -8.134 -3.572 68 HD13 ILE 32 HD13 ILE 32 25.073 -9.575 -3.589 69 H ALA 33 HN ALA 33 26.905 -7.712 1.943 70 HA ALA 33 HA ALA 33 29.707 -8.324 2.096 71 HB1 ALA 33 HB1 ALA 33 28.861 -5.746 0.772 72 HB2 ALA 33 HB2 ALA 33 29.591 -7.121 -0.057 73 HB3 ALA 33 HB3 ALA 33 30.513 -6.231 1.154 74 H GLY 34 HN GLY 34 30.820 -6.816 3.611 75 HA2 GLY 34 HA2 GLY 34 29.287 -6.364 5.922 76 HA3 GLY 34 HA1 GLY 34 30.903 -5.736 5.637 77 H ALA 35 HN ALA 35 30.326 -4.168 3.383 78 HA ALA 35 HA ALA 35 29.655 -1.738 4.563 79 HB1 ALA 35 HB1 ALA 35 29.616 -2.455 1.639 80 HB2 ALA 35 HB2 ALA 35 31.028 -1.935 2.558 81 HB3 ALA 35 HB3 ALA 35 29.682 -0.823 2.304 82 H ILE 36 HN ILE 36 27.569 -4.149 3.201 83 HA ILE 36 HA ILE 36 25.507 -2.590 2.162 84 HB ILE 36 HB ILE 36 25.868 -5.128 1.965 85 HG12 ILE 36 HG12 ILE 36 23.042 -4.183 2.456 86 HG13 ILE 36 HG11 ILE 36 23.969 -3.773 1.017 87 HG21 ILE 36 HG21 ILE 36 24.543 -6.506 3.489 88 HG22 ILE 36 HG22 ILE 36 24.148 -5.077 4.444 89 HG23 ILE 36 HG23 ILE 36 25.816 -5.644 4.354 90 HD11 ILE 36 HD11 ILE 36 24.035 -6.038 0.319 91 HD12 ILE 36 HD12 ILE 36 22.366 -5.677 0.765 92 HD13 ILE 36 HD13 ILE 36 23.396 -6.599 1.863 93 H LYS 37 HN LYS 37 26.266 -3.264 5.465 94 HA LYS 37 HA LYS 37 23.757 -2.923 6.652 95 HB2 LYS 37 HB2 LYS 37 26.449 -2.165 7.797 96 HB3 LYS 37 HB1 LYS 37 24.975 -2.459 8.708 97 HG2 LYS 37 HG2 LYS 37 26.484 -4.494 7.077 98 HG3 LYS 37 HG1 LYS 37 26.477 -4.359 8.835 99 HD2 LYS 37 HD2 LYS 37 24.105 -4.861 8.896 100 HD3 LYS 37 HD1 LYS 37 24.046 -4.904 7.131 101 HE2 LYS 37 HE2 LYS 37 25.567 -6.799 7.111 102 HE3 LYS 37 HE1 LYS 37 25.694 -6.737 8.869 103 HZ1 LYS 37 HZ1 LYS 37 23.268 -7.393 7.279 104 HZ2 LYS 37 HZ2 LYS 37 23.277 -7.177 8.963 105 HZ3 LYS 37 HZ3 LYS 37 24.164 -8.443 8.268 106 H SER 38 HN SER 38 25.962 -0.593 5.309 107 HA SER 38 HA SER 38 24.993 1.701 6.645 108 HB2 SER 38 HB2 SER 38 26.060 2.961 4.780 109 HB3 SER 38 HB1 SER 38 27.132 1.762 5.505 110 HG SER 38 HG SER 38 26.956 0.506 3.740 111 H LYS 39 HN LYS 39 24.230 0.378 3.424 112 HA LYS 39 HA LYS 39 22.379 2.343 2.696 113 HB2 LYS 39 HB2 LYS 39 21.824 1.043 0.844 114 HB3 LYS 39 HB1 LYS 39 23.478 0.569 1.195 115 HG2 LYS 39 HG2 LYS 39 22.812 -1.504 2.075 116 HG3 LYS 39 HG1 LYS 39 21.126 -0.993 2.211 117 HD2 LYS 39 HD2 LYS 39 21.076 -0.798 -0.290 118 HD3 LYS 39 HD1 LYS 39 22.679 -1.536 -0.322 119 HE2 LYS 39 HE2 LYS 39 21.817 -3.539 0.725 120 HE3 LYS 39 HE1 LYS 39 20.230 -2.795 0.908 121 HZ1 LYS 39 HZ1 LYS 39 20.272 -4.299 -0.966 122 HZ2 LYS 39 HZ2 LYS 39 21.556 -3.450 -1.669 123 HZ3 LYS 39 HZ3 LYS 39 20.042 -2.711 -1.508 124 H VAL 40 HN VAL 40 22.073 -0.338 4.790 125 HA VAL 40 HA VAL 40 19.405 -1.011 4.602 126 HB VAL 40 HB VAL 40 21.269 -1.046 6.973 127 HG11 VAL 40 HG11 VAL 40 19.689 -2.571 8.068 128 HG12 VAL 40 HG12 VAL 40 18.542 -2.336 6.750 129 HG13 VAL 40 HG13 VAL 40 18.959 -0.986 7.805 130 HG21 VAL 40 HG21 VAL 40 21.882 -2.473 5.095 131 HG22 VAL 40 HG22 VAL 40 20.286 -3.223 5.134 132 HG23 VAL 40 HG23 VAL 40 21.392 -3.430 6.492 133 H GLU 41 HN GLU 41 20.811 1.853 6.119 134 HA GLU 41 HA GLU 41 18.602 2.544 7.727 135 HB2 GLU 41 HB2 GLU 41 19.481 4.856 7.666 136 HB3 GLU 41 HB1 GLU 41 20.708 3.666 8.055 137 HG2 GLU 41 HG2 GLU 41 21.846 5.015 6.615 138 HG3 GLU 41 HG1 GLU 41 21.241 3.788 5.508 139 H ALA 42 HN ALA 42 19.242 3.013 4.328 140 HA ALA 42 HA ALA 42 17.173 4.826 3.749 141 HB1 ALA 42 HB1 ALA 42 19.070 4.358 2.249 142 HB2 ALA 42 HB2 ALA 42 17.511 4.213 1.437 143 HB3 ALA 42 HB3 ALA 42 18.392 2.763 1.921 144 H ALA 43 HN ALA 43 17.116 1.452 4.434 145 HA ALA 43 HA ALA 43 14.854 0.679 2.936 146 HB1 ALA 43 HB1 ALA 43 16.411 -0.932 3.904 147 HB2 ALA 43 HB2 ALA 43 14.753 -1.258 4.410 148 HB3 ALA 43 HB3 ALA 43 15.877 -0.478 5.523 149 H LEU 44 HN LEU 44 15.172 2.468 5.872 150 HA LEU 44 HA LEU 44 12.380 2.062 6.612 151 HB2 LEU 44 HB2 LEU 44 14.557 3.719 7.895 152 HB3 LEU 44 HB1 LEU 44 12.939 3.517 8.541 153 HG LEU 44 HG LEU 44 14.953 1.297 8.168 154 HD11 LEU 44 HD11 LEU 44 14.005 2.699 10.666 155 HD12 LEU 44 HD12 LEU 44 15.607 2.835 9.938 156 HD13 LEU 44 HD13 LEU 44 15.073 1.295 10.612 157 HD21 LEU 44 HD21 LEU 44 12.632 0.549 7.939 158 HD22 LEU 44 HD22 LEU 44 12.242 1.292 9.491 159 HD23 LEU 44 HD23 LEU 44 13.369 -0.063 9.419 160 H SER 45 HN SER 45 13.706 3.740 4.271 161 HA SER 45 HA SER 45 11.979 6.095 4.651 162 HB2 SER 45 HB2 SER 45 14.730 6.119 3.381 163 HB3 SER 45 HB1 SER 45 13.691 7.514 3.675 164 HG SER 45 HG SER 45 14.825 5.826 5.661 165 HA PRO 46 HA PRO 46 10.504 5.232 0.527 166 HB2 PRO 46 HB2 PRO 46 10.516 8.120 -0.044 167 HB3 PRO 46 HB1 PRO 46 9.155 6.997 0.023 168 HG2 PRO 46 HG2 PRO 46 9.542 8.858 1.920 169 HG3 PRO 46 HG1 PRO 46 8.880 7.258 2.302 170 HD2 PRO 46 HD2 PRO 46 11.669 8.294 2.677 171 HD3 PRO 46 HD1 PRO 46 10.687 7.288 3.765 172 H THR 47 HN THR 47 12.167 4.319 -0.582 173 HA THR 47 HA THR 47 13.565 5.801 -2.528 174 HB THR 47 HB THR 47 14.905 6.571 -0.610 175 HG1 THR 47 HG1 THR 47 16.564 4.718 -1.940 176 HG21 THR 47 HG21 THR 47 15.527 3.650 -0.207 177 HG22 THR 47 HG22 THR 47 14.573 4.667 0.872 178 HG23 THR 47 HG23 THR 47 16.292 4.992 0.646 179 H HIS 48 HN HIS 48 15.204 4.419 -3.654 180 HA HIS 48 HA HIS 48 14.742 1.536 -3.238 181 HB2 HIS 48 HB2 HIS 48 13.535 2.480 -5.255 182 HB3 HIS 48 HB1 HIS 48 15.105 2.898 -5.924 183 HD1 HIS 48 HD1 HIS 48 16.219 1.155 -7.307 184 HD2 HIS 48 HD2 HIS 48 13.190 -0.407 -4.916 185 HE1 HIS 48 HE1 HIS 48 15.971 -1.253 -8.005 186 HE2 HIS 48 HE2 HIS 48 13.981 -2.094 -6.709 187 H PHE 49 HN PHE 49 16.600 0.400 -3.001 188 HA PHE 49 HA PHE 49 19.092 1.860 -3.569 189 HB2 PHE 49 HB2 PHE 49 19.939 0.601 -1.441 190 HB3 PHE 49 HB1 PHE 49 18.991 2.073 -1.273 191 HD1 PHE 49 HD1 PHE 49 16.757 2.021 -0.386 192 HD2 PHE 49 HD2 PHE 49 18.992 -1.567 -0.873 193 HE1 PHE 49 HE1 PHE 49 15.150 0.830 1.042 194 HE2 PHE 49 HE2 PHE 49 17.386 -2.763 0.554 195 HZ PHE 49 HZ PHE 49 15.461 -1.566 1.512 196 H LYS 50 HN LYS 50 20.348 0.894 -4.905 197 HA LYS 50 HA LYS 50 20.246 -2.034 -5.175 198 HB2 LYS 50 HB2 LYS 50 19.564 -0.713 -7.157 199 HB3 LYS 50 HB1 LYS 50 21.121 0.093 -7.150 200 HG2 LYS 50 HG2 LYS 50 20.874 -2.882 -7.474 201 HG3 LYS 50 HG1 LYS 50 20.755 -1.773 -8.842 202 HD2 LYS 50 HD2 LYS 50 23.000 -0.847 -8.096 203 HD3 LYS 50 HD1 LYS 50 23.102 -2.234 -7.010 204 HE2 LYS 50 HE2 LYS 50 24.291 -2.771 -9.009 205 HE3 LYS 50 HE1 LYS 50 22.802 -3.715 -8.995 206 HZ1 LYS 50 HZ1 LYS 50 23.286 -2.718 -11.168 207 HZ2 LYS 50 HZ2 LYS 50 23.169 -1.169 -10.476 208 HZ3 LYS 50 HZ3 LYS 50 21.808 -2.182 -10.528 209 H LEU 51 HN LEU 51 21.909 -3.001 -4.211 210 HA LEU 51 HA LEU 51 24.567 -1.776 -4.435 211 HB2 LEU 51 HB2 LEU 51 23.591 -1.559 -2.128 212 HB3 LEU 51 HB1 LEU 51 23.564 -3.306 -2.030 213 HG LEU 51 HG LEU 51 26.140 -1.838 -2.524 214 HD11 LEU 51 HD11 LEU 51 25.161 -0.833 -0.541 215 HD12 LEU 51 HD12 LEU 51 26.525 -1.862 -0.103 216 HD13 LEU 51 HD13 LEU 51 24.874 -2.432 0.146 217 HD21 LEU 51 HD21 LEU 51 25.472 -4.492 -1.250 218 HD22 LEU 51 HD22 LEU 51 27.091 -3.813 -1.411 219 HD23 LEU 51 HD23 LEU 51 26.171 -4.248 -2.852 220 H ILE 52 HN ILE 52 25.937 -3.078 -5.508 221 HA ILE 52 HA ILE 52 25.471 -5.966 -5.271 222 HB ILE 52 HB ILE 52 26.406 -6.257 -7.574 223 HG12 ILE 52 HG12 ILE 52 25.773 -4.025 -8.957 224 HG13 ILE 52 HG11 ILE 52 26.355 -3.293 -7.466 225 HG21 ILE 52 HG21 ILE 52 23.801 -4.764 -7.353 226 HG22 ILE 52 HG22 ILE 52 24.041 -6.490 -7.086 227 HG23 ILE 52 HG23 ILE 52 24.293 -5.804 -8.691 228 HD11 ILE 52 HD11 ILE 52 28.123 -3.490 -9.135 229 HD12 ILE 52 HD12 ILE 52 27.890 -5.237 -9.179 230 HD13 ILE 52 HD13 ILE 52 28.477 -4.463 -7.706 231 H ASN 53 HN ASN 53 27.131 -7.196 -4.764 232 HA ASN 53 HA ASN 53 29.821 -6.029 -4.870 233 HB2 ASN 53 HB2 ASN 53 29.184 -6.001 -2.555 234 HB3 ASN 53 HB1 ASN 53 28.614 -7.668 -2.637 235 HD21 ASN 53 HD21 ASN 53 31.425 -5.601 -2.674 236 HD22 ASN 53 HD22 ASN 53 32.576 -6.821 -2.230 237 H ASP 54 HN ASP 54 30.756 -7.064 -6.494 238 HA ASP 54 HA ASP 54 30.362 -9.946 -6.816 239 HB2 ASP 54 HB2 ASP 54 30.343 -8.312 -8.772 240 HB3 ASP 54 HB1 ASP 54 32.071 -8.113 -8.510 241 H SER 55 HN SER 55 32.675 -7.593 -5.784 242 HA SER 55 HA SER 55 34.566 -7.706 -4.560 243 HB2 SER 55 HB2 SER 55 33.005 -9.311 -3.276 244 HB3 SER 55 HB1 SER 55 33.975 -10.600 -3.986 245 HG SER 55 HG SER 55 34.777 -8.537 -2.220 246 H HIS 56 HN HIS 56 36.378 -9.760 -4.071 247 HA HIS 56 HA HIS 56 37.616 -10.004 -6.718 248 HB2 HIS 56 HB2 HIS 56 38.861 -8.976 -4.765 249 HB3 HIS 56 HB1 HIS 56 38.853 -10.563 -4.010 250 HD1 HIS 56 HD1 HIS 56 40.711 -8.473 -6.361 251 HD2 HIS 56 HD2 HIS 56 40.425 -12.530 -5.494 252 HE1 HIS 56 HE1 HIS 56 42.753 -9.531 -7.375 253 HE2 HIS 56 HE2 HIS 56 42.674 -11.937 -6.625 254 H LYS 57 HN LYS 57 35.810 -11.697 -6.988 255 HA LYS 57 HA LYS 57 36.578 -14.267 -5.820 256 HB2 LYS 57 HB2 LYS 57 34.144 -13.539 -7.462 257 HB3 LYS 57 HB1 LYS 57 34.431 -15.088 -6.672 258 HG2 LYS 57 HG2 LYS 57 34.448 -13.970 -4.497 259 HG3 LYS 57 HG1 LYS 57 34.140 -12.428 -5.290 260 HD2 LYS 57 HD2 LYS 57 32.015 -13.378 -6.173 261 HD3 LYS 57 HD1 LYS 57 32.317 -14.826 -5.205 262 HE2 LYS 57 HE2 LYS 57 32.388 -13.405 -3.179 263 HE3 LYS 57 HE1 LYS 57 31.982 -12.008 -4.174 264 HZ1 LYS 57 HZ1 LYS 57 30.296 -14.394 -3.652 265 HZ2 LYS 57 HZ2 LYS 57 29.910 -13.206 -4.802 266 HZ3 LYS 57 HZ3 LYS 57 30.004 -12.795 -3.159 267 H HIS 58 HN HIS 58 36.389 -12.563 -8.860 268 HA HIS 58 HA HIS 58 38.285 -14.491 -9.953 269 HB2 HIS 58 HB2 HIS 58 35.702 -13.693 -11.290 270 HB3 HIS 58 HB1 HIS 58 37.085 -14.272 -12.211 271 HD1 HIS 58 HD1 HIS 58 34.057 -15.511 -11.133 272 HD2 HIS 58 HD2 HIS 58 37.955 -16.915 -10.746 273 HE1 HIS 58 HE1 HIS 58 33.852 -17.984 -10.704 274 HE2 HIS 58 HE2 HIS 58 36.224 -18.826 -10.544 275 H ALA 59 HN ALA 59 40.000 -13.408 -10.607 276 HA ALA 59 HA ALA 59 39.657 -10.937 -12.119 277 HB1 ALA 59 HB1 ALA 59 41.436 -11.119 -9.683 278 HB2 ALA 59 HB2 ALA 59 39.977 -10.141 -9.842 279 HB3 ALA 59 HB3 ALA 59 41.396 -9.772 -10.822 280 H GLY 60 HN GLY 60 42.285 -12.800 -10.605 281 HA2 GLY 60 HA2 GLY 60 43.602 -12.936 -13.236 282 HA3 GLY 60 HA1 GLY 60 44.406 -13.144 -11.682 283 H HIS 61 HN HIS 61 43.879 -14.846 -14.255 284 HA HIS 61 HA HIS 61 42.680 -17.171 -12.926 285 HB2 HIS 61 HB2 HIS 61 42.405 -18.145 -15.172 286 HB3 HIS 61 HB1 HIS 61 41.604 -16.589 -15.028 287 HD1 HIS 61 HD1 HIS 61 43.891 -18.455 -17.132 288 HD2 HIS 61 HD2 HIS 61 43.147 -14.438 -16.338 289 HE1 HIS 61 HE1 HIS 61 44.927 -17.181 -19.037 290 HE2 HIS 61 HE2 HIS 61 44.550 -14.745 -18.491 291 H TYR 62 HN TYR 62 44.887 -16.989 -11.787 292 HA TYR 62 HA TYR 62 46.383 -19.249 -12.709 293 HB2 TYR 62 HB2 TYR 62 47.448 -17.427 -14.011 294 HB3 TYR 62 HB1 TYR 62 47.824 -16.593 -12.509 295 HD1 TYR 62 HD1 TYR 62 48.305 -19.986 -14.013 296 HD2 TYR 62 HD2 TYR 62 49.978 -16.820 -11.720 297 HE1 TYR 62 HE1 TYR 62 50.427 -21.219 -13.872 298 HE2 TYR 62 HE2 TYR 62 52.105 -18.045 -11.572 299 HH TYR 62 HH TYR 62 52.884 -20.401 -11.711 300 H ALA 63 HN ALA 63 47.986 -16.848 -10.781 301 HA ALA 63 HA ALA 63 47.030 -17.437 -8.226 302 HB1 ALA 63 HB1 ALA 63 47.830 -19.718 -8.676 303 HB2 ALA 63 HB2 ALA 63 48.727 -18.958 -7.362 304 HB3 ALA 63 HB3 ALA 63 49.451 -19.085 -8.965 305 H ARG 64 HN ARG 64 47.539 -15.520 -7.389 306 HA ARG 64 HA ARG 64 50.218 -14.918 -6.735 307 HB2 ARG 64 HB2 ARG 64 50.277 -14.095 -9.067 308 HB3 ARG 64 HB1 ARG 64 48.928 -13.023 -8.717 309 HG2 ARG 64 HG2 ARG 64 50.283 -11.796 -7.118 310 HG3 ARG 64 HG1 ARG 64 51.628 -12.906 -7.382 311 HD2 ARG 64 HD2 ARG 64 50.395 -11.133 -9.492 312 HD3 ARG 64 HD1 ARG 64 51.880 -10.778 -8.610 313 HE ARG 64 HE ARG 64 51.683 -13.244 -10.208 314 HH11 ARG 64 HH11 ARG 64 53.128 -10.083 -9.676 315 HH12 ARG 64 HH12 ARG 64 54.469 -10.394 -10.734 316 HH21 ARG 64 HH21 ARG 64 53.459 -13.620 -11.610 317 HH22 ARG 64 HH22 ARG 64 54.669 -12.380 -11.809 318 H ASP 65 HN ASP 65 47.942 -12.369 -7.432 319 HA ASP 65 HA ASP 65 46.426 -12.238 -5.131 320 HB2 ASP 65 HB2 ASP 65 48.513 -12.100 -3.847 321 HB3 ASP 65 HB1 ASP 65 49.045 -10.741 -4.832 322 H GLY 66 HN GLY 66 48.566 -9.658 -6.255 323 HA2 GLY 66 HA2 GLY 66 46.508 -8.596 -8.016 324 HA3 GLY 66 HA1 GLY 66 46.945 -7.600 -6.633 325 H SER 67 HN SER 67 47.562 -8.141 -9.816 326 HA SER 67 HA SER 67 50.402 -7.693 -9.815 327 HB2 SER 67 HB2 SER 67 49.835 -7.313 -12.354 328 HB3 SER 67 HB1 SER 67 49.731 -8.933 -11.658 329 HG SER 67 HG SER 67 47.805 -7.511 -12.821 330 H THR 68 HN THR 68 47.539 -5.755 -9.914 331 HA THR 68 HA THR 68 49.237 -3.396 -9.676 332 HB THR 68 HB THR 68 48.595 -3.377 -12.030 333 HG1 THR 68 HG1 THR 68 47.923 -1.289 -12.036 334 HG21 THR 68 HG21 THR 68 45.738 -3.388 -11.054 335 HG22 THR 68 HG22 THR 68 46.547 -4.709 -11.896 336 HG23 THR 68 HG23 THR 68 46.260 -3.179 -12.726 337 H ALA 69 HN ALA 69 46.178 -5.005 -9.214 338 HA ALA 69 HA ALA 69 44.642 -4.912 -7.559 339 HB1 ALA 69 HB1 ALA 69 46.680 -3.224 -6.118 340 HB2 ALA 69 HB2 ALA 69 46.589 -4.985 -6.083 341 HB3 ALA 69 HB3 ALA 69 45.283 -4.019 -5.392 342 H SER 70 HN SER 70 44.892 -2.737 -9.651 343 HA SER 70 HA SER 70 42.784 -1.085 -8.548 344 HB2 SER 70 HB2 SER 70 44.880 0.161 -8.030 345 HB3 SER 70 HB1 SER 70 45.269 0.169 -9.750 346 HG SER 70 HG SER 70 43.694 1.591 -10.136 347 H ASP 71 HN ASP 71 41.423 -0.251 -10.135 348 HA ASP 71 HA ASP 71 42.076 -0.799 -12.931 349 HB2 ASP 71 HB2 ASP 71 40.947 -2.820 -12.144 350 HB3 ASP 71 HB1 ASP 71 39.603 -1.854 -11.544 351 H ALA 72 HN ALA 72 39.447 0.290 -10.804 352 HA ALA 72 HA ALA 72 38.254 2.206 -10.689 353 HB1 ALA 72 HB1 ALA 72 40.425 3.302 -10.726 354 HB2 ALA 72 HB2 ALA 72 39.206 4.265 -11.562 355 HB3 ALA 72 HB3 ALA 72 40.385 3.337 -12.489 356 H GLY 73 HN GLY 73 37.886 0.239 -13.015 357 HA2 GLY 73 HA2 GLY 73 35.972 1.993 -14.405 358 HA3 GLY 73 HA1 GLY 73 37.055 0.987 -15.354 359 H GLU 74 HN GLU 74 37.038 -1.334 -13.856 360 HA GLU 74 HA GLU 74 34.754 -2.652 -14.811 361 HB2 GLU 74 HB2 GLU 74 36.869 -3.782 -14.413 362 HB3 GLU 74 HB1 GLU 74 36.753 -3.457 -12.691 363 HG2 GLU 74 HG2 GLU 74 36.208 -5.764 -13.201 364 HG3 GLU 74 HG1 GLU 74 34.823 -4.911 -12.526 365 H THR 75 HN THR 75 35.620 -1.735 -11.499 366 HA THR 75 HA THR 75 34.471 -1.463 -9.586 367 HB THR 75 HB THR 75 32.293 -0.387 -9.655 368 HG1 THR 75 HG1 THR 75 32.091 -1.632 -12.066 369 HG21 THR 75 HG21 THR 75 32.865 1.543 -11.089 370 HG22 THR 75 HG22 THR 75 34.167 0.593 -11.805 371 HG23 THR 75 HG23 THR 75 34.215 1.005 -10.091 372 H HIS 76 HN HIS 76 34.297 -3.287 -8.451 373 HA HIS 76 HA HIS 76 32.259 -5.228 -9.294 374 HB2 HIS 76 HB2 HIS 76 34.853 -5.510 -7.878 375 HB3 HIS 76 HB1 HIS 76 33.560 -6.614 -7.413 376 HD1 HIS 76 HD1 HIS 76 35.067 -8.532 -8.469 377 HD2 HIS 76 HD2 HIS 76 33.579 -5.727 -11.150 378 HE1 HIS 76 HE1 HIS 76 35.356 -9.555 -10.748 379 HE2 HIS 76 HE2 HIS 76 34.181 -7.957 -12.308 380 H PHE 77 HN PHE 77 33.056 -2.977 -6.834 381 HA PHE 77 HA PHE 77 30.562 -3.766 -5.477 382 HB2 PHE 77 HB2 PHE 77 32.532 -3.648 -3.984 383 HB3 PHE 77 HB1 PHE 77 32.805 -1.985 -4.485 384 HD1 PHE 77 HD1 PHE 77 31.702 -0.209 -3.426 385 HD2 PHE 77 HD2 PHE 77 30.414 -4.207 -2.748 386 HE1 PHE 77 HE1 PHE 77 30.232 0.578 -1.617 387 HE2 PHE 77 HE2 PHE 77 28.939 -3.430 -0.938 388 HZ PHE 77 HZ PHE 77 28.849 -1.035 -0.372 389 H ARG 78 HN ARG 78 28.873 -2.385 -5.581 390 HA ARG 78 HA ARG 78 29.262 0.297 -6.626 391 HB2 ARG 78 HB2 ARG 78 29.145 -0.844 -8.678 392 HB3 ARG 78 HB1 ARG 78 27.869 -1.915 -8.114 393 HG2 ARG 78 HG2 ARG 78 26.284 -0.105 -8.156 394 HG3 ARG 78 HG1 ARG 78 27.558 1.039 -8.603 395 HD2 ARG 78 HD2 ARG 78 26.579 -1.306 -10.234 396 HD3 ARG 78 HD1 ARG 78 26.286 0.401 -10.568 397 HE ARG 78 HE ARG 78 29.075 -0.388 -10.447 398 HH11 ARG 78 HH11 ARG 78 26.272 0.086 -12.488 399 HH12 ARG 78 HH12 ARG 78 27.202 0.315 -13.938 400 HH21 ARG 78 HH21 ARG 78 30.314 -0.115 -12.345 401 HH22 ARG 78 HH22 ARG 78 29.508 0.223 -13.852 402 H LEU 79 HN LEU 79 27.851 1.680 -5.828 403 HA LEU 79 HA LEU 79 25.435 0.614 -4.531 404 HB2 LEU 79 HB2 LEU 79 27.226 1.366 -2.951 405 HB3 LEU 79 HB1 LEU 79 27.105 2.971 -3.634 406 HG LEU 79 HG LEU 79 25.952 2.595 -1.415 407 HD11 LEU 79 HD11 LEU 79 24.007 3.941 -1.994 408 HD12 LEU 79 HD12 LEU 79 24.252 3.577 -3.702 409 HD13 LEU 79 HD13 LEU 79 25.452 4.523 -2.820 410 HD21 LEU 79 HD21 LEU 79 23.778 1.533 -1.431 411 HD22 LEU 79 HD22 LEU 79 25.019 0.388 -1.936 412 HD23 LEU 79 HD23 LEU 79 23.961 1.128 -3.138 413 H GLU 80 HN GLU 80 23.667 1.287 -5.531 414 HA GLU 80 HA GLU 80 23.614 4.031 -6.615 415 HB2 GLU 80 HB2 GLU 80 22.311 1.574 -7.819 416 HB3 GLU 80 HB1 GLU 80 22.134 3.216 -8.417 417 HG2 GLU 80 HG2 GLU 80 24.424 3.306 -9.068 418 HG3 GLU 80 HG1 GLU 80 24.769 1.775 -8.265 419 H VAL 81 HN VAL 81 22.165 5.188 -5.463 420 HA VAL 81 HA VAL 81 19.705 3.796 -4.653 421 HB VAL 81 HB VAL 81 19.523 5.144 -2.635 422 HG11 VAL 81 HG11 VAL 81 22.158 3.699 -2.828 423 HG12 VAL 81 HG12 VAL 81 20.591 2.987 -2.431 424 HG13 VAL 81 HG13 VAL 81 21.342 4.142 -1.328 425 HG21 VAL 81 HG21 VAL 81 21.342 6.531 -1.823 426 HG22 VAL 81 HG22 VAL 81 20.762 7.126 -3.378 427 HG23 VAL 81 HG23 VAL 81 22.267 6.211 -3.289 428 H THR 82 HN THR 82 17.918 4.662 -5.339 429 HA THR 82 HA THR 82 17.905 7.460 -6.205 430 HB THR 82 HB THR 82 16.245 5.186 -7.342 431 HG1 THR 82 HG1 THR 82 18.775 5.799 -7.805 432 HG21 THR 82 HG21 THR 82 15.137 7.355 -7.514 433 HG22 THR 82 HG22 THR 82 15.673 6.807 -9.104 434 HG23 THR 82 HG23 THR 82 16.582 8.050 -8.244 435 H SER 83 HN SER 83 16.772 8.582 -4.752 436 HA SER 83 HA SER 83 14.440 7.304 -3.479 437 HB2 SER 83 HB2 SER 83 15.617 9.855 -2.448 438 HB3 SER 83 HB1 SER 83 14.836 8.547 -1.564 439 HG SER 83 HG SER 83 16.771 7.288 -2.111 440 H ASP 84 HN ASP 84 12.490 8.069 -4.008 441 HA ASP 84 HA ASP 84 10.809 9.466 -4.640 442 HB2 ASP 84 HB2 ASP 84 12.934 11.616 -4.750 443 HB3 ASP 84 HB1 ASP 84 11.213 11.895 -4.977 444 H ALA 85 HN ALA 85 13.651 9.045 -6.469 445 HA ALA 85 HA ALA 85 14.065 8.762 -8.674 446 HB1 ALA 85 HB1 ALA 85 12.133 7.250 -8.564 447 HB2 ALA 85 HB2 ALA 85 12.262 8.045 -10.133 448 HB3 ALA 85 HB3 ALA 85 11.066 8.597 -8.959 449 H PHE 86 HN PHE 86 14.539 11.197 -8.121 450 HA PHE 86 HA PHE 86 14.104 12.632 -10.486 451 HB2 PHE 86 HB2 PHE 86 11.868 13.088 -9.562 452 HB3 PHE 86 HB1 PHE 86 12.589 13.666 -8.063 453 HD1 PHE 86 HD1 PHE 86 13.048 15.914 -7.803 454 HD2 PHE 86 HD2 PHE 86 12.532 14.345 -11.724 455 HE1 PHE 86 HE1 PHE 86 13.153 18.193 -8.725 456 HE2 PHE 86 HE2 PHE 86 12.636 16.617 -12.651 457 HZ PHE 86 HZ PHE 86 12.947 18.547 -11.155 458 H LYS 87 HN LYS 87 16.118 13.369 -10.634 459 HA LYS 87 HA LYS 87 17.730 13.713 -8.298 460 HB2 LYS 87 HB2 LYS 87 18.430 12.996 -10.696 461 HB3 LYS 87 HB1 LYS 87 18.435 14.716 -11.052 462 HG2 LYS 87 HG2 LYS 87 20.105 13.356 -8.944 463 HG3 LYS 87 HG1 LYS 87 20.668 13.875 -10.532 464 HD2 LYS 87 HD2 LYS 87 19.385 15.819 -8.668 465 HD3 LYS 87 HD1 LYS 87 21.084 15.383 -8.457 466 HE2 LYS 87 HE2 LYS 87 20.816 17.432 -9.795 467 HE3 LYS 87 HE1 LYS 87 21.599 16.142 -10.701 468 HZ1 LYS 87 HZ1 LYS 87 18.736 16.938 -10.939 469 HZ2 LYS 87 HZ2 LYS 87 19.492 15.691 -11.805 470 HZ3 LYS 87 HZ3 LYS 87 19.967 17.293 -12.048 471 H GLY 88 HN GLY 88 17.731 15.451 -7.025 472 HA2 GLY 88 HA2 GLY 88 17.659 18.107 -8.220 473 HA3 GLY 88 HA1 GLY 88 16.318 17.719 -7.152 474 H LEU 89 HN LEU 89 18.876 16.030 -5.999 475 HA LEU 89 HA LEU 89 19.612 18.179 -4.125 476 HB2 LEU 89 HB2 LEU 89 18.371 15.776 -3.570 477 HB3 LEU 89 HB1 LEU 89 20.055 15.406 -3.267 478 HG LEU 89 HG LEU 89 18.495 17.631 -1.942 479 HD11 LEU 89 HD11 LEU 89 17.721 15.452 -1.222 480 HD12 LEU 89 HD12 LEU 89 18.650 16.224 0.063 481 HD13 LEU 89 HD13 LEU 89 19.379 14.943 -0.905 482 HD21 LEU 89 HD21 LEU 89 20.866 18.161 -2.111 483 HD22 LEU 89 HD22 LEU 89 21.276 16.595 -1.412 484 HD23 LEU 89 HD23 LEU 89 20.423 17.794 -0.442 485 H THR 90 HN THR 90 21.829 18.104 -3.340 486 HA THR 90 HA THR 90 23.788 17.402 -5.239 487 HB THR 90 HB THR 90 24.320 17.715 -2.288 488 HG1 THR 90 HG1 THR 90 23.890 19.804 -2.419 489 HG21 THR 90 HG21 THR 90 26.395 18.742 -3.110 490 HG22 THR 90 HG22 THR 90 25.871 18.447 -4.770 491 HG23 THR 90 HG23 THR 90 26.206 17.091 -3.693 492 H LEU 91 HN LEU 91 24.375 15.412 -5.777 493 HA LEU 91 HA LEU 91 23.337 13.129 -4.581 494 HB2 LEU 91 HB2 LEU 91 24.640 11.849 -6.085 495 HB3 LEU 91 HB1 LEU 91 24.170 13.311 -6.924 496 HG LEU 91 HG LEU 91 26.894 12.928 -5.676 497 HD11 LEU 91 HD11 LEU 91 26.044 12.499 -8.536 498 HD12 LEU 91 HD12 LEU 91 26.524 11.239 -7.399 499 HD13 LEU 91 HD13 LEU 91 27.698 12.446 -7.926 500 HD21 LEU 91 HD21 LEU 91 27.527 14.771 -7.153 501 HD22 LEU 91 HD22 LEU 91 26.245 15.256 -6.044 502 HD23 LEU 91 HD23 LEU 91 25.866 14.890 -7.727 503 H VAL 92 HN VAL 92 26.288 14.823 -3.853 504 HA VAL 92 HA VAL 92 27.748 12.712 -2.734 505 HB VAL 92 HB VAL 92 29.130 14.377 -1.638 506 HG11 VAL 92 HG11 VAL 92 29.780 15.697 -3.602 507 HG12 VAL 92 HG12 VAL 92 28.276 15.235 -4.400 508 HG13 VAL 92 HG13 VAL 92 29.481 14.008 -4.009 509 HG21 VAL 92 HG21 VAL 92 27.404 15.866 -0.800 510 HG22 VAL 92 HG22 VAL 92 27.009 16.364 -2.446 511 HG23 VAL 92 HG23 VAL 92 28.580 16.769 -1.754 512 H LYS 93 HN LYS 93 25.017 14.415 -1.482 513 HA LYS 93 HA LYS 93 25.553 14.066 1.283 514 HB2 LYS 93 HB2 LYS 93 23.895 15.675 0.555 515 HB3 LYS 93 HB1 LYS 93 22.931 14.401 -0.181 516 HG2 LYS 93 HG2 LYS 93 22.663 13.403 2.101 517 HG3 LYS 93 HG1 LYS 93 23.450 14.840 2.750 518 HD2 LYS 93 HD2 LYS 93 21.049 15.064 0.971 519 HD3 LYS 93 HD1 LYS 93 20.876 14.772 2.701 520 HE2 LYS 93 HE2 LYS 93 22.427 17.067 1.515 521 HE3 LYS 93 HE1 LYS 93 20.745 17.175 2.028 522 HZ1 LYS 93 HZ1 LYS 93 22.165 17.983 3.764 523 HZ2 LYS 93 HZ2 LYS 93 23.085 16.559 3.760 524 HZ3 LYS 93 HZ3 LYS 93 21.470 16.522 4.272 525 H ARG 94 HN ARG 94 23.588 12.183 -1.022 526 HA ARG 94 HA ARG 94 22.820 10.175 0.807 527 HB2 ARG 94 HB2 ARG 94 22.958 10.309 -2.193 528 HB3 ARG 94 HB1 ARG 94 22.588 8.788 -1.395 529 HG2 ARG 94 HG2 ARG 94 21.027 11.211 -0.652 530 HG3 ARG 94 HG1 ARG 94 20.684 10.404 -2.183 531 HD2 ARG 94 HD2 ARG 94 19.247 9.601 -0.340 532 HD3 ARG 94 HD1 ARG 94 20.245 8.325 -1.035 533 HE ARG 94 HE ARG 94 21.457 9.550 1.247 534 HH11 ARG 94 HH11 ARG 94 19.067 7.175 0.287 535 HH12 ARG 94 HH12 ARG 94 19.253 6.228 1.729 536 HH21 ARG 94 HH21 ARG 94 21.684 8.281 3.151 537 HH22 ARG 94 HH22 ARG 94 20.726 6.837 3.347 538 H HIS 95 HN HIS 95 25.497 10.386 -1.472 539 HA HIS 95 HA HIS 95 26.816 8.006 -0.935 540 HB2 HIS 95 HB2 HIS 95 27.554 9.408 -2.725 541 HB3 HIS 95 HB1 HIS 95 27.830 10.764 -1.642 542 HD1 HIS 95 HD1 HIS 95 30.100 10.917 -0.517 543 HD2 HIS 95 HD2 HIS 95 29.565 7.393 -2.648 544 HE1 HIS 95 HE1 HIS 95 32.371 9.855 -0.641 545 HE2 HIS 95 HE2 HIS 95 32.056 7.855 -2.145 546 H GLN 96 HN GLN 96 26.914 11.073 0.808 547 HA GLN 96 HA GLN 96 29.057 10.321 2.531 548 HB2 GLN 96 HB2 GLN 96 28.284 12.668 1.807 549 HB3 GLN 96 HB1 GLN 96 27.080 12.515 3.079 550 HG2 GLN 96 HG2 GLN 96 28.956 13.726 3.919 551 HG3 GLN 96 HG1 GLN 96 28.900 12.145 4.701 552 HE21 GLN 96 HE21 GLN 96 31.076 12.159 5.212 553 HE22 GLN 96 HE22 GLN 96 32.315 11.984 4.019 554 H LEU 97 HN LEU 97 25.551 10.352 2.796 555 HA LEU 97 HA LEU 97 25.259 10.064 5.539 556 HB2 LEU 97 HB2 LEU 97 23.544 8.975 3.310 557 HB3 LEU 97 HB1 LEU 97 23.072 8.977 4.999 558 HG LEU 97 HG LEU 97 23.645 11.454 3.361 559 HD11 LEU 97 HD11 LEU 97 21.249 11.826 3.408 560 HD12 LEU 97 HD12 LEU 97 21.010 10.325 4.301 561 HD13 LEU 97 HD13 LEU 97 21.605 10.278 2.641 562 HD21 LEU 97 HD21 LEU 97 22.695 12.647 5.271 563 HD22 LEU 97 HD22 LEU 97 24.136 11.742 5.734 564 HD23 LEU 97 HD23 LEU 97 22.535 11.127 6.149 565 H ILE 98 HN ILE 98 25.613 7.517 3.090 566 HA ILE 98 HA ILE 98 25.522 5.490 5.173 567 HB ILE 98 HB ILE 98 25.659 3.859 3.324 568 HG12 ILE 98 HG12 ILE 98 25.537 6.294 1.531 569 HG13 ILE 98 HG11 ILE 98 26.961 5.286 1.758 570 HG21 ILE 98 HG21 ILE 98 23.524 5.965 3.027 571 HG22 ILE 98 HG22 ILE 98 23.503 4.599 4.143 572 HG23 ILE 98 HG23 ILE 98 23.434 4.318 2.404 573 HD11 ILE 98 HD11 ILE 98 25.703 3.374 0.846 574 HD12 ILE 98 HD12 ILE 98 25.876 4.705 -0.298 575 HD13 ILE 98 HD13 ILE 98 24.344 4.454 0.539 576 H TYR 99 HN TYR 99 27.827 7.003 3.027 577 HA TYR 99 HA TYR 99 30.034 6.727 2.605 578 HB2 TYR 99 HB2 TYR 99 31.482 6.800 4.597 579 HB3 TYR 99 HB1 TYR 99 30.153 7.942 4.688 580 HD1 TYR 99 HD1 TYR 99 28.574 7.842 6.463 581 HD2 TYR 99 HD2 TYR 99 31.444 4.741 6.006 582 HE1 TYR 99 HE1 TYR 99 27.988 6.984 8.691 583 HE2 TYR 99 HE2 TYR 99 30.866 3.868 8.229 584 HH TYR 99 HH TYR 99 28.113 4.898 9.961 585 H GLY 100 HN GLY 100 28.535 4.237 2.400 586 HA2 GLY 100 HA2 GLY 100 30.203 2.155 3.504 587 HA3 GLY 100 HA1 GLY 100 28.789 1.932 2.490 588 H LEU 101 HN LEU 101 30.743 4.145 0.997 589 HA LEU 101 HA LEU 101 31.512 2.207 -0.988 590 HB2 LEU 101 HB2 LEU 101 31.798 5.197 -0.810 591 HB3 LEU 101 HB1 LEU 101 32.532 4.273 -2.104 592 HG LEU 101 HG LEU 101 30.489 5.191 -2.917 593 HD11 LEU 101 HD11 LEU 101 30.078 2.270 -2.310 594 HD12 LEU 101 HD12 LEU 101 31.023 2.927 -3.646 595 HD13 LEU 101 HD13 LEU 101 29.280 3.193 -3.584 596 HD21 LEU 101 HD21 LEU 101 28.320 4.738 -1.897 597 HD22 LEU 101 HD22 LEU 101 29.379 5.611 -0.789 598 HD23 LEU 101 HD23 LEU 101 29.114 3.881 -0.574 599 H LEU 102 HN LEU 102 33.607 1.823 -1.724 600 HA LEU 102 HA LEU 102 35.772 1.231 -1.503 601 HB2 LEU 102 HB2 LEU 102 36.177 3.639 -1.528 602 HB3 LEU 102 HB1 LEU 102 35.943 3.710 0.207 603 HG LEU 102 HG LEU 102 37.949 2.352 0.552 604 HD11 LEU 102 HD11 LEU 102 39.430 1.824 -1.320 605 HD12 LEU 102 HD12 LEU 102 38.227 2.451 -2.447 606 HD13 LEU 102 HD13 LEU 102 37.868 1.019 -1.481 607 HD21 LEU 102 HD21 LEU 102 39.605 3.998 -0.202 608 HD22 LEU 102 HD22 LEU 102 38.180 4.766 0.498 609 HD23 LEU 102 HD23 LEU 102 38.389 4.726 -1.252 610 H SER 103 HN SER 103 34.915 -0.613 -0.349 611 HA SER 103 HA SER 103 36.248 -0.832 2.230 612 HB2 SER 103 HB2 SER 103 33.404 -1.805 1.824 613 HB3 SER 103 HB1 SER 103 34.357 -1.920 3.305 614 HG SER 103 HG SER 103 34.422 0.595 2.714 615 H ASP 104 HN ASP 104 33.980 -3.159 0.860 616 HA ASP 104 HA ASP 104 35.925 -5.222 0.794 617 HB2 ASP 104 HB2 ASP 104 33.547 -5.720 1.081 618 HB3 ASP 104 HB1 ASP 104 33.203 -5.089 -0.526 619 H GLU 105 HN GLU 105 34.834 -2.887 -1.521 620 HA GLU 105 HA GLU 105 35.835 -3.966 -3.882 621 HB2 GLU 105 HB2 GLU 105 34.409 -2.007 -3.851 622 HB3 GLU 105 HB1 GLU 105 35.646 -1.080 -3.016 623 HG2 GLU 105 HG2 GLU 105 35.536 -0.517 -5.376 624 HG3 GLU 105 HG1 GLU 105 37.094 -1.216 -4.947 625 H PHE 106 HN PHE 106 37.511 -2.420 -1.224 626 HA PHE 106 HA PHE 106 39.976 -2.021 -2.607 627 HB2 PHE 106 HB2 PHE 106 39.349 -0.823 -0.503 628 HB3 PHE 106 HB1 PHE 106 39.534 -2.338 0.373 629 HD1 PHE 106 HD1 PHE 106 41.496 -2.582 1.523 630 HD2 PHE 106 HD2 PHE 106 41.489 -0.311 -2.074 631 HE1 PHE 106 HE1 PHE 106 43.890 -2.107 1.823 632 HE2 PHE 106 HE2 PHE 106 43.882 0.167 -1.781 633 HZ PHE 106 HZ PHE 106 45.086 -0.731 0.169 634 H LYS 107 HN LYS 107 38.427 -4.641 -1.014 635 HA LYS 107 HA LYS 107 40.690 -6.424 -1.050 636 HB2 LYS 107 HB2 LYS 107 39.133 -6.906 0.627 637 HB3 LYS 107 HB1 LYS 107 37.762 -6.615 -0.429 638 HG2 LYS 107 HG2 LYS 107 38.314 -8.724 -1.623 639 HG3 LYS 107 HG1 LYS 107 39.550 -9.032 -0.394 640 HD2 LYS 107 HD2 LYS 107 38.024 -9.456 1.233 641 HD3 LYS 107 HD1 LYS 107 36.857 -8.305 0.584 642 HE2 LYS 107 HE2 LYS 107 36.625 -10.026 -1.346 643 HE3 LYS 107 HE1 LYS 107 37.343 -11.152 -0.193 644 HZ1 LYS 107 HZ1 LYS 107 35.576 -10.690 1.353 645 HZ2 LYS 107 HZ2 LYS 107 34.894 -11.142 -0.135 646 HZ3 LYS 107 HZ3 LYS 107 34.920 -9.510 0.323 647 H ALA 108 HN ALA 108 38.003 -5.564 -3.096 648 HA ALA 108 HA ALA 108 38.222 -7.714 -4.933 649 HB1 ALA 108 HB1 ALA 108 36.785 -6.361 -6.375 650 HB2 ALA 108 HB2 ALA 108 37.015 -4.978 -5.306 651 HB3 ALA 108 HB3 ALA 108 36.180 -6.416 -4.719 652 H GLY 109 HN GLY 109 39.261 -4.292 -5.188 653 HA2 GLY 109 HA2 GLY 109 41.525 -3.782 -5.805 654 HA3 GLY 109 HA1 GLY 109 41.577 -5.277 -6.719 655 H LEU 110 HN LEU 110 38.724 -3.367 -7.116 656 HA LEU 110 HA LEU 110 39.770 -2.493 -9.728 657 HB2 LEU 110 HB2 LEU 110 36.877 -2.796 -8.893 658 HB3 LEU 110 HB1 LEU 110 37.444 -2.335 -10.483 659 HG LEU 110 HG LEU 110 36.784 -4.577 -10.678 660 HD11 LEU 110 HD11 LEU 110 38.836 -5.807 -11.151 661 HD12 LEU 110 HD12 LEU 110 39.765 -4.592 -10.274 662 HD13 LEU 110 HD13 LEU 110 38.910 -4.150 -11.753 663 HD21 LEU 110 HD21 LEU 110 36.593 -5.118 -8.319 664 HD22 LEU 110 HD22 LEU 110 38.349 -5.181 -8.172 665 HD23 LEU 110 HD23 LEU 110 37.503 -6.366 -9.170 666 H HIS 111 HN HIS 111 36.962 -1.343 -8.019 667 HA HIS 111 HA HIS 111 37.688 0.865 -6.657 668 HB2 HIS 111 HB2 HIS 111 38.742 1.647 -8.870 669 HB3 HIS 111 HB1 HIS 111 37.096 1.812 -9.470 670 HD1 HIS 111 HD1 HIS 111 36.025 4.021 -9.081 671 HD2 HIS 111 HD2 HIS 111 39.202 3.344 -6.484 672 HE1 HIS 111 HE1 HIS 111 36.313 6.157 -7.787 673 HE2 HIS 111 HE2 HIS 111 38.358 5.785 -6.353 674 H ALA 112 HN ALA 112 35.793 2.080 -6.035 675 HA ALA 112 HA ALA 112 33.324 0.792 -7.010 676 HB1 ALA 112 HB1 ALA 112 33.892 1.884 -4.256 677 HB2 ALA 112 HB2 ALA 112 33.886 0.178 -4.704 678 HB3 ALA 112 HB3 ALA 112 32.393 1.116 -4.780 679 H LEU 113 HN LEU 113 31.612 2.033 -7.540 680 HA LEU 113 HA LEU 113 31.852 4.932 -7.158 681 HB2 LEU 113 HB2 LEU 113 31.162 5.417 -9.329 682 HB3 LEU 113 HB1 LEU 113 32.307 4.111 -9.540 683 HG LEU 113 HG LEU 113 29.300 3.784 -9.583 684 HD11 LEU 113 HD11 LEU 113 31.274 3.810 -11.862 685 HD12 LEU 113 HD12 LEU 113 30.134 5.099 -11.477 686 HD13 LEU 113 HD13 LEU 113 29.538 3.518 -11.984 687 HD21 LEU 113 HD21 LEU 113 29.754 1.560 -10.440 688 HD22 LEU 113 HD22 LEU 113 30.516 1.771 -8.863 689 HD23 LEU 113 HD23 LEU 113 31.491 1.848 -10.331 690 H SER 114 HN SER 114 29.945 6.027 -6.737 691 HA SER 114 HA SER 114 27.571 4.345 -6.356 692 HB2 SER 114 HB2 SER 114 27.082 5.740 -4.322 693 HB3 SER 114 HB1 SER 114 28.505 4.708 -4.168 694 HG SER 114 HG SER 114 28.703 7.385 -5.054 695 H MET 115 HN MET 115 26.060 5.048 -7.751 696 HA MET 115 HA MET 115 25.840 7.946 -8.169 697 HB2 MET 115 HB2 MET 115 24.451 5.677 -9.621 698 HB3 MET 115 HB1 MET 115 24.270 7.384 -9.998 699 HG2 MET 115 HG2 MET 115 26.753 7.431 -10.427 700 HG3 MET 115 HG1 MET 115 26.715 5.672 -10.314 701 HE1 MET 115 HE1 MET 115 23.826 5.097 -11.615 702 HE2 MET 115 HE2 MET 115 25.258 4.130 -11.972 703 HE3 MET 115 HE3 MET 115 24.283 4.783 -13.289 704 H THR 116 HN THR 116 24.481 8.993 -6.903 705 HA THR 116 HA THR 116 22.204 7.518 -5.769 706 HB THR 116 HB THR 116 22.554 8.615 -3.626 707 HG1 THR 116 HG1 THR 116 23.634 10.475 -4.754 708 HG21 THR 116 HG21 THR 116 24.702 7.594 -2.954 709 HG22 THR 116 HG22 THR 116 25.100 7.345 -4.654 710 HG23 THR 116 HG23 THR 116 23.727 6.501 -3.937 711 H THR 117 HN THR 117 20.388 8.451 -6.419 712 HA THR 117 HA THR 117 20.378 11.378 -6.707 713 HB THR 117 HB THR 117 20.240 10.581 -8.922 714 HG1 THR 117 HG1 THR 117 18.079 11.157 -9.514 715 HG21 THR 117 HG21 THR 117 18.145 8.632 -7.983 716 HG22 THR 117 HG22 THR 117 19.787 8.245 -8.494 717 HG23 THR 117 HG23 THR 117 18.628 8.881 -9.661 718 H LYS 118 HN LYS 118 18.911 12.444 -5.615 719 HA LYS 118 HA LYS 118 16.362 11.266 -4.894 720 HB2 LYS 118 HB2 LYS 118 17.888 10.763 -2.966 721 HB3 LYS 118 HB1 LYS 118 18.162 12.493 -2.782 722 HG2 LYS 118 HG2 LYS 118 15.616 12.674 -2.584 723 HG3 LYS 118 HG1 LYS 118 15.650 10.933 -2.325 724 HD2 LYS 118 HD2 LYS 118 17.150 11.267 -0.408 725 HD3 LYS 118 HD1 LYS 118 17.062 13.015 -0.662 726 HE2 LYS 118 HE2 LYS 118 14.904 11.123 0.216 727 HE3 LYS 118 HE1 LYS 118 15.466 12.597 1.002 728 HZ1 LYS 118 HZ1 LYS 118 13.362 13.032 -0.011 729 HZ2 LYS 118 HZ2 LYS 118 13.860 12.386 -1.491 730 HZ3 LYS 118 HZ3 LYS 118 14.536 13.841 -0.933 731 H THR 119 HN THR 119 14.834 12.921 -4.142 732 HA THR 119 HA THR 119 15.302 15.579 -5.165 733 HB THR 119 HB THR 119 13.049 16.067 -4.247 734 HG1 THR 119 HG1 THR 119 11.998 13.911 -3.511 735 HG21 THR 119 HG21 THR 119 13.258 15.078 -6.493 736 HG22 THR 119 HG22 THR 119 11.769 14.580 -5.688 737 HG23 THR 119 HG23 THR 119 13.135 13.468 -5.782 738 HA PRO 120 HA PRO 120 16.667 17.283 -1.252 739 HB2 PRO 120 HB2 PRO 120 15.922 19.860 -1.531 740 HB3 PRO 120 HB1 PRO 120 17.252 19.164 -2.465 741 HG2 PRO 120 HG2 PRO 120 14.420 19.668 -3.291 742 HG3 PRO 120 HG1 PRO 120 15.918 19.951 -4.198 743 HD2 PRO 120 HD2 PRO 120 14.315 17.770 -4.570 744 HD3 PRO 120 HD1 PRO 120 16.063 17.764 -4.875 745 H ALA 121 HN ALA 121 15.597 19.073 0.389 746 HA ALA 121 HA ALA 121 13.047 17.917 1.180 747 HB1 ALA 121 HB1 ALA 121 14.756 20.012 2.520 748 HB2 ALA 121 HB2 ALA 121 14.736 18.290 2.901 749 HB3 ALA 121 HB3 ALA 121 13.308 19.278 3.207 750 H GLU 122 HN GLU 122 13.869 19.996 -1.034 751 HA GLU 122 HA GLU 122 12.033 22.164 -0.465 752 HB2 GLU 122 HB2 GLU 122 14.324 22.377 -1.629 753 HB3 GLU 122 HB1 GLU 122 13.531 21.692 -3.040 754 HG2 GLU 122 HG2 GLU 122 13.575 24.075 -3.237 755 HG3 GLU 122 HG1 GLU 122 11.910 23.546 -2.989 756 H GLN 123 HN GLN 123 9.994 21.333 -0.543 757 HA GLN 123 HA GLN 123 9.198 19.620 -2.748 758 HB2 GLN 123 HB2 GLN 123 8.442 19.036 -0.495 759 HB3 GLN 123 HB1 GLN 123 7.665 20.603 -0.331 760 HG2 GLN 123 HG2 GLN 123 6.106 20.037 -2.110 761 HG3 GLN 123 HG1 GLN 123 6.903 18.479 -2.324 762 HE21 GLN 123 HE21 GLN 123 6.562 16.849 -0.835 763 HE22 GLN 123 HE22 GLN 123 5.319 16.936 0.369 Start of MODEL 4 1 H MET 24 HT3 MET 24 7.560 1.346 4.851 2 HA MET 24 HA MET 24 10.183 2.417 5.702 3 HB2 MET 24 HB2 MET 24 8.972 3.440 7.576 4 HB3 MET 24 HB1 MET 24 8.440 4.082 6.030 5 HG2 MET 24 HG2 MET 24 6.467 2.633 6.120 6 HG3 MET 24 HG1 MET 24 6.999 2.020 7.685 7 HE1 MET 24 HE1 MET 24 3.918 4.270 8.610 8 HE2 MET 24 HE2 MET 24 4.642 2.670 8.767 9 HE3 MET 24 HE3 MET 24 4.113 3.249 7.187 10 H ALA 25 HN ALA 25 7.854 -0.102 5.852 11 HA ALA 25 HA ALA 25 9.015 -1.189 8.300 12 HB1 ALA 25 HB1 ALA 25 7.346 -2.962 8.070 13 HB2 ALA 25 HB2 ALA 25 6.840 -2.294 6.520 14 HB3 ALA 25 HB3 ALA 25 6.590 -1.371 8.001 15 H GLU 26 HN GLU 26 10.326 -2.982 8.357 16 HA GLU 26 HA GLU 26 11.796 -3.491 5.940 17 HB2 GLU 26 HB2 GLU 26 13.157 -5.020 7.374 18 HB3 GLU 26 HB1 GLU 26 13.069 -3.369 7.962 19 HG2 GLU 26 HG2 GLU 26 11.400 -4.043 9.609 20 HG3 GLU 26 HG1 GLU 26 11.480 -5.700 9.011 21 H HIS 27 HN HIS 27 10.754 -4.603 4.459 22 HA HIS 27 HA HIS 27 9.708 -7.254 5.209 23 HB2 HIS 27 HB2 HIS 27 8.035 -5.528 4.340 24 HB3 HIS 27 HB1 HIS 27 8.852 -5.657 2.786 25 HD1 HIS 27 HD1 HIS 27 6.485 -7.421 5.039 26 HD2 HIS 27 HD2 HIS 27 8.449 -8.125 1.438 27 HE1 HIS 27 HE1 HIS 27 5.347 -9.423 4.021 28 HE2 HIS 27 HE2 HIS 27 6.436 -9.717 1.767 29 H GLN 28 HN GLN 28 11.928 -5.436 3.372 30 HA GLN 28 HA GLN 28 12.572 -7.714 1.641 31 HB2 GLN 28 HB2 GLN 28 13.793 -4.955 1.550 32 HB3 GLN 28 HB1 GLN 28 13.843 -6.193 0.303 33 HG2 GLN 28 HG2 GLN 28 11.472 -4.565 1.174 34 HG3 GLN 28 HG1 GLN 28 12.315 -4.494 -0.370 35 HE21 GLN 28 HE21 GLN 28 9.504 -4.974 0.218 36 HE22 GLN 28 HE22 GLN 28 9.111 -6.509 -0.492 37 H LEU 29 HN LEU 29 14.466 -8.822 1.866 38 HA LEU 29 HA LEU 29 16.403 -7.849 3.832 39 HB2 LEU 29 HB2 LEU 29 14.813 -9.406 4.942 40 HB3 LEU 29 HB1 LEU 29 15.269 -10.652 3.799 41 HG LEU 29 HG LEU 29 17.421 -9.420 5.462 42 HD11 LEU 29 HD11 LEU 29 16.953 -10.989 7.276 43 HD12 LEU 29 HD12 LEU 29 15.473 -11.495 6.461 44 HD13 LEU 29 HD13 LEU 29 15.629 -9.846 7.064 45 HD21 LEU 29 HD21 LEU 29 16.868 -12.220 4.475 46 HD22 LEU 29 HD22 LEU 29 18.305 -11.705 5.358 47 HD23 LEU 29 HD23 LEU 29 17.985 -11.064 3.747 48 H GLY 30 HN GLY 30 18.478 -8.190 3.285 49 HA2 GLY 30 HA2 GLY 30 19.253 -10.318 1.502 50 HA3 GLY 30 HA1 GLY 30 19.342 -8.727 0.765 51 HA PRO 31 HA PRO 31 22.886 -9.032 3.872 52 HB2 PRO 31 HB2 PRO 31 23.430 -11.514 4.871 53 HB3 PRO 31 HB1 PRO 31 22.301 -10.385 5.619 54 HG2 PRO 31 HG2 PRO 31 21.735 -12.900 4.300 55 HG3 PRO 31 HG1 PRO 31 20.628 -11.846 5.194 56 HD2 PRO 31 HD2 PRO 31 21.054 -12.078 2.291 57 HD3 PRO 31 HD1 PRO 31 19.685 -11.373 3.177 58 H ILE 32 HN ILE 32 24.352 -8.646 2.244 59 HA ILE 32 HA ILE 32 25.719 -11.025 1.158 60 HB ILE 32 HB ILE 32 25.413 -8.341 -0.211 61 HG12 ILE 32 HG12 ILE 32 24.236 -11.045 -0.894 62 HG13 ILE 32 HG11 ILE 32 23.346 -9.684 -0.224 63 HG21 ILE 32 HG21 ILE 32 26.743 -10.873 -1.172 64 HG22 ILE 32 HG22 ILE 32 27.566 -9.391 -0.684 65 HG23 ILE 32 HG23 ILE 32 26.529 -9.393 -2.110 66 HD11 ILE 32 HD11 ILE 32 22.958 -9.888 -2.605 67 HD12 ILE 32 HD12 ILE 32 24.690 -9.760 -2.913 68 HD13 ILE 32 HD13 ILE 32 23.811 -8.386 -2.241 69 H ALA 33 HN ALA 33 26.469 -7.548 1.231 70 HA ALA 33 HA ALA 33 28.978 -8.209 2.619 71 HB1 ALA 33 HB1 ALA 33 30.046 -6.385 1.396 72 HB2 ALA 33 HB2 ALA 33 28.530 -6.046 0.559 73 HB3 ALA 33 HB3 ALA 33 29.370 -7.573 0.281 74 H GLY 34 HN GLY 34 29.914 -6.203 3.736 75 HA2 GLY 34 HA2 GLY 34 28.081 -5.331 5.687 76 HA3 GLY 34 HA1 GLY 34 29.681 -4.657 5.423 77 H ALA 35 HN ALA 35 29.185 -3.821 2.726 78 HA ALA 35 HA ALA 35 28.231 -1.224 3.154 79 HB1 ALA 35 HB1 ALA 35 28.543 -2.734 0.568 80 HB2 ALA 35 HB2 ALA 35 29.782 -1.773 1.378 81 HB3 ALA 35 HB3 ALA 35 28.346 -0.988 0.719 82 H ILE 36 HN ILE 36 26.521 -4.130 2.368 83 HA ILE 36 HA ILE 36 24.432 -3.045 0.843 84 HB ILE 36 HB ILE 36 25.116 -5.534 1.201 85 HG12 ILE 36 HG12 ILE 36 22.177 -4.862 1.032 86 HG13 ILE 36 HG11 ILE 36 23.310 -4.554 -0.280 87 HG21 ILE 36 HG21 ILE 36 23.622 -6.752 2.724 88 HG22 ILE 36 HG22 ILE 36 22.995 -5.218 3.326 89 HG23 ILE 36 HG23 ILE 36 24.685 -5.645 3.595 90 HD11 ILE 36 HD11 ILE 36 23.784 -6.906 -0.470 91 HD12 ILE 36 HD12 ILE 36 22.044 -6.631 -0.576 92 HD13 ILE 36 HD13 ILE 36 22.752 -7.253 0.917 93 H LYS 37 HN LYS 37 24.973 -3.052 4.254 94 HA LYS 37 HA LYS 37 22.392 -2.824 5.279 95 HB2 LYS 37 HB2 LYS 37 24.799 -1.283 6.255 96 HB3 LYS 37 HB1 LYS 37 23.383 -1.733 7.190 97 HG2 LYS 37 HG2 LYS 37 24.002 -4.074 7.047 98 HG3 LYS 37 HG1 LYS 37 25.398 -3.656 6.048 99 HD2 LYS 37 HD2 LYS 37 26.186 -2.199 7.938 100 HD3 LYS 37 HD1 LYS 37 24.901 -2.900 8.923 101 HE2 LYS 37 HE2 LYS 37 25.860 -5.135 8.528 102 HE3 LYS 37 HE1 LYS 37 27.170 -4.391 7.608 103 HZ1 LYS 37 HZ1 LYS 37 26.569 -3.997 10.490 104 HZ2 LYS 37 HZ2 LYS 37 27.740 -3.120 9.635 105 HZ3 LYS 37 HZ3 LYS 37 27.918 -4.793 9.833 106 H SER 38 HN SER 38 24.468 -0.428 3.763 107 HA SER 38 HA SER 38 23.059 1.863 4.578 108 HB2 SER 38 HB2 SER 38 24.765 1.497 2.109 109 HB3 SER 38 HB1 SER 38 24.359 3.028 2.887 110 HG SER 38 HG SER 38 25.790 2.654 4.410 111 H LYS 39 HN LYS 39 22.826 -0.084 1.590 112 HA LYS 39 HA LYS 39 20.986 1.632 0.317 113 HB2 LYS 39 HB2 LYS 39 20.748 0.029 -1.348 114 HB3 LYS 39 HB1 LYS 39 22.352 -0.308 -0.719 115 HG2 LYS 39 HG2 LYS 39 21.537 -2.205 0.504 116 HG3 LYS 39 HG1 LYS 39 19.869 -1.805 0.082 117 HD2 LYS 39 HD2 LYS 39 20.484 -2.094 -2.321 118 HD3 LYS 39 HD1 LYS 39 22.064 -2.678 -1.793 119 HE2 LYS 39 HE2 LYS 39 20.961 -4.486 -0.550 120 HE3 LYS 39 HE1 LYS 39 19.394 -3.906 -1.115 121 HZ1 LYS 39 HZ1 LYS 39 21.588 -4.912 -2.847 122 HZ2 LYS 39 HZ2 LYS 39 20.088 -4.354 -3.388 123 HZ3 LYS 39 HZ3 LYS 39 20.179 -5.761 -2.445 124 H VAL 40 HN VAL 40 20.592 -0.909 2.668 125 HA VAL 40 HA VAL 40 17.818 -1.320 2.435 126 HB VAL 40 HB VAL 40 19.558 -1.547 4.901 127 HG11 VAL 40 HG11 VAL 40 17.834 -3.073 5.746 128 HG12 VAL 40 HG12 VAL 40 16.842 -2.732 4.328 129 HG13 VAL 40 HG13 VAL 40 17.194 -1.450 5.488 130 HG21 VAL 40 HG21 VAL 40 20.347 -2.934 3.047 131 HG22 VAL 40 HG22 VAL 40 18.740 -3.647 2.892 132 HG23 VAL 40 HG23 VAL 40 19.690 -3.922 4.352 133 H GLU 41 HN GLU 41 19.712 0.976 4.354 134 HA GLU 41 HA GLU 41 17.572 2.142 5.752 135 HB2 GLU 41 HB2 GLU 41 20.212 3.379 4.951 136 HB3 GLU 41 HB1 GLU 41 19.112 4.026 6.161 137 HG2 GLU 41 HG2 GLU 41 20.623 1.429 6.284 138 HG3 GLU 41 HG1 GLU 41 20.896 2.873 7.257 139 H ALA 42 HN ALA 42 18.818 2.681 2.538 140 HA ALA 42 HA ALA 42 17.646 5.188 2.030 141 HB1 ALA 42 HB1 ALA 42 19.418 4.213 0.641 142 HB2 ALA 42 HB2 ALA 42 18.021 4.704 -0.316 143 HB3 ALA 42 HB3 ALA 42 18.281 2.999 0.055 144 H ALA 43 HN ALA 43 16.325 1.997 2.123 145 HA ALA 43 HA ALA 43 14.049 2.351 0.504 146 HB1 ALA 43 HB1 ALA 43 14.361 0.531 2.890 147 HB2 ALA 43 HB2 ALA 43 14.875 0.154 1.244 148 HB3 ALA 43 HB3 ALA 43 13.163 0.383 1.602 149 H LEU 44 HN LEU 44 14.822 3.514 3.635 150 HA LEU 44 HA LEU 44 12.166 3.858 4.613 151 HB2 LEU 44 HB2 LEU 44 14.845 4.936 5.426 152 HB3 LEU 44 HB1 LEU 44 13.380 5.553 6.158 153 HG LEU 44 HG LEU 44 14.339 3.893 7.609 154 HD11 LEU 44 HD11 LEU 44 11.931 2.768 6.196 155 HD12 LEU 44 HD12 LEU 44 11.907 3.977 7.480 156 HD13 LEU 44 HD13 LEU 44 12.478 2.342 7.817 157 HD21 LEU 44 HD21 LEU 44 14.185 1.995 5.269 158 HD22 LEU 44 HD22 LEU 44 14.634 1.563 6.919 159 HD23 LEU 44 HD23 LEU 44 15.660 2.651 5.980 160 H SER 45 HN SER 45 13.756 5.376 2.122 161 HA SER 45 HA SER 45 12.032 7.745 2.383 162 HB2 SER 45 HB2 SER 45 13.870 9.034 1.206 163 HB3 SER 45 HB1 SER 45 14.237 8.550 2.861 164 HG SER 45 HG SER 45 14.986 6.639 1.087 165 HA PRO 46 HA PRO 46 10.655 6.747 -1.723 166 HB2 PRO 46 HB2 PRO 46 10.411 9.623 -2.273 167 HB3 PRO 46 HB1 PRO 46 9.151 8.388 -2.186 168 HG2 PRO 46 HG2 PRO 46 9.425 10.288 -0.295 169 HG3 PRO 46 HG1 PRO 46 8.868 8.648 0.086 170 HD2 PRO 46 HD2 PRO 46 11.577 9.867 0.464 171 HD3 PRO 46 HD1 PRO 46 10.669 8.782 1.539 172 H THR 47 HN THR 47 12.390 5.994 -2.832 173 HA THR 47 HA THR 47 13.798 7.683 -4.625 174 HB THR 47 HB THR 47 14.927 8.212 -2.418 175 HG1 THR 47 HG1 THR 47 16.373 8.673 -3.905 176 HG21 THR 47 HG21 THR 47 14.807 5.991 -1.415 177 HG22 THR 47 HG22 THR 47 16.476 6.554 -1.497 178 HG23 THR 47 HG23 THR 47 15.890 5.360 -2.656 179 H HIS 48 HN HIS 48 15.922 6.214 -5.299 180 HA HIS 48 HA HIS 48 15.025 3.411 -5.451 181 HB2 HIS 48 HB2 HIS 48 14.577 4.487 -7.622 182 HB3 HIS 48 HB1 HIS 48 16.242 5.051 -7.695 183 HD1 HIS 48 HD1 HIS 48 17.759 3.611 -9.046 184 HD2 HIS 48 HD2 HIS 48 14.491 1.492 -7.570 185 HE1 HIS 48 HE1 HIS 48 17.956 1.297 -10.008 186 HE2 HIS 48 HE2 HIS 48 15.906 0.066 -9.201 187 H PHE 49 HN PHE 49 16.534 2.074 -4.680 188 HA PHE 49 HA PHE 49 19.299 3.054 -4.567 189 HB2 PHE 49 HB2 PHE 49 19.577 1.590 -2.566 190 HB3 PHE 49 HB1 PHE 49 18.418 2.892 -2.333 191 HD1 PHE 49 HD1 PHE 49 15.980 2.375 -2.326 192 HD2 PHE 49 HD2 PHE 49 18.942 -0.678 -2.379 193 HE1 PHE 49 HE1 PHE 49 14.302 0.740 -1.577 194 HE2 PHE 49 HE2 PHE 49 17.268 -2.321 -1.636 195 HZ PHE 49 HZ PHE 49 14.944 -1.613 -1.235 196 H LYS 50 HN LYS 50 20.736 1.997 -5.673 197 HA LYS 50 HA LYS 50 20.296 -0.855 -6.268 198 HB2 LYS 50 HB2 LYS 50 19.897 0.387 -8.300 199 HB3 LYS 50 HB1 LYS 50 21.370 1.318 -8.076 200 HG2 LYS 50 HG2 LYS 50 22.620 -0.873 -8.287 201 HG3 LYS 50 HG1 LYS 50 21.094 -1.571 -8.835 202 HD2 LYS 50 HD2 LYS 50 22.468 0.800 -10.094 203 HD3 LYS 50 HD1 LYS 50 22.544 -0.854 -10.701 204 HE2 LYS 50 HE2 LYS 50 20.200 -0.872 -11.153 205 HE3 LYS 50 HE1 LYS 50 19.972 0.664 -10.318 206 HZ1 LYS 50 HZ1 LYS 50 21.601 0.325 -12.782 207 HZ2 LYS 50 HZ2 LYS 50 21.205 1.788 -12.011 208 HZ3 LYS 50 HZ3 LYS 50 19.994 0.867 -12.761 209 H LEU 51 HN LEU 51 21.797 -1.950 -5.142 210 HA LEU 51 HA LEU 51 24.549 -0.902 -5.232 211 HB2 LEU 51 HB2 LEU 51 23.421 -0.760 -2.967 212 HB3 LEU 51 HB1 LEU 51 23.390 -2.510 -2.957 213 HG LEU 51 HG LEU 51 25.979 -1.000 -3.238 214 HD11 LEU 51 HD11 LEU 51 26.256 -1.230 -0.808 215 HD12 LEU 51 HD12 LEU 51 24.592 -1.802 -0.684 216 HD13 LEU 51 HD13 LEU 51 24.922 -0.157 -1.227 217 HD21 LEU 51 HD21 LEU 51 25.995 -3.402 -3.744 218 HD22 LEU 51 HD22 LEU 51 25.325 -3.737 -2.146 219 HD23 LEU 51 HD23 LEU 51 26.935 -3.032 -2.299 220 H ILE 52 HN ILE 52 25.802 -2.183 -6.401 221 HA ILE 52 HA ILE 52 25.239 -5.068 -6.344 222 HB ILE 52 HB ILE 52 26.238 -5.231 -8.619 223 HG12 ILE 52 HG12 ILE 52 25.918 -2.223 -8.688 224 HG13 ILE 52 HG11 ILE 52 27.464 -3.050 -8.514 225 HG21 ILE 52 HG21 ILE 52 24.253 -4.437 -9.807 226 HG22 ILE 52 HG22 ILE 52 23.783 -3.495 -8.394 227 HG23 ILE 52 HG23 ILE 52 23.827 -5.255 -8.301 228 HD11 ILE 52 HD11 ILE 52 27.153 -4.094 -10.689 229 HD12 ILE 52 HD12 ILE 52 27.083 -2.336 -10.805 230 HD13 ILE 52 HD13 ILE 52 25.596 -3.285 -10.864 231 H ASN 53 HN ASN 53 26.757 -6.165 -5.364 232 HA ASN 53 HA ASN 53 29.533 -5.234 -5.572 233 HB2 ASN 53 HB2 ASN 53 28.859 -4.743 -3.331 234 HB3 ASN 53 HB1 ASN 53 28.112 -6.328 -3.143 235 HD21 ASN 53 HD21 ASN 53 31.131 -4.591 -3.338 236 HD22 ASN 53 HD22 ASN 53 32.111 -5.822 -2.607 237 H ASP 54 HN ASP 54 30.453 -6.609 -6.927 238 HA ASP 54 HA ASP 54 29.914 -9.479 -6.665 239 HB2 ASP 54 HB2 ASP 54 30.046 -8.313 -8.940 240 HB3 ASP 54 HB1 ASP 54 31.774 -8.158 -8.650 241 H SER 55 HN SER 55 32.207 -7.022 -6.007 242 HA SER 55 HA SER 55 34.173 -6.924 -4.898 243 HB2 SER 55 HB2 SER 55 32.619 -8.266 -3.297 244 HB3 SER 55 HB1 SER 55 33.613 -9.649 -3.756 245 HG SER 55 HG SER 55 34.234 -7.422 -2.207 246 H HIS 56 HN HIS 56 35.770 -9.322 -4.125 247 HA HIS 56 HA HIS 56 36.781 -10.003 -6.810 248 HB2 HIS 56 HB2 HIS 56 38.294 -8.585 -5.405 249 HB3 HIS 56 HB1 HIS 56 38.356 -9.894 -4.230 250 HD1 HIS 56 HD1 HIS 56 40.860 -10.304 -4.518 251 HD2 HIS 56 HD2 HIS 56 38.695 -10.652 -8.055 252 HE1 HIS 56 HE1 HIS 56 42.438 -11.349 -6.184 253 HE2 HIS 56 HE2 HIS 56 41.063 -11.662 -8.277 254 H LYS 57 HN LYS 57 36.737 -12.072 -7.358 255 HA LYS 57 HA LYS 57 35.762 -14.007 -5.451 256 HB2 LYS 57 HB2 LYS 57 36.085 -13.900 -8.404 257 HB3 LYS 57 HB1 LYS 57 36.113 -15.488 -7.652 258 HG2 LYS 57 HG2 LYS 57 33.887 -14.792 -8.486 259 HG3 LYS 57 HG1 LYS 57 33.920 -15.186 -6.769 260 HD2 LYS 57 HD2 LYS 57 33.912 -12.856 -6.181 261 HD3 LYS 57 HD1 LYS 57 34.092 -12.383 -7.871 262 HE2 LYS 57 HE2 LYS 57 31.748 -13.968 -6.846 263 HE3 LYS 57 HE1 LYS 57 31.761 -12.205 -6.922 264 HZ1 LYS 57 HZ1 LYS 57 32.262 -13.955 -9.266 265 HZ2 LYS 57 HZ2 LYS 57 32.019 -12.272 -9.262 266 HZ3 LYS 57 HZ3 LYS 57 30.742 -13.317 -8.875 267 H HIS 58 HN HIS 58 38.328 -14.339 -7.898 268 HA HIS 58 HA HIS 58 40.192 -15.355 -5.940 269 HB2 HIS 58 HB2 HIS 58 38.439 -17.200 -6.589 270 HB3 HIS 58 HB1 HIS 58 39.373 -17.303 -8.075 271 HD1 HIS 58 HD1 HIS 58 41.000 -19.142 -7.980 272 HD2 HIS 58 HD2 HIS 58 40.396 -17.404 -4.248 273 HE1 HIS 58 HE1 HIS 58 42.448 -20.444 -6.379 274 HE2 HIS 58 HE2 HIS 58 41.955 -19.460 -4.107 275 H ALA 59 HN ALA 59 42.289 -15.459 -6.747 276 HA ALA 59 HA ALA 59 42.739 -14.164 -9.297 277 HB1 ALA 59 HB1 ALA 59 44.114 -13.570 -7.362 278 HB2 ALA 59 HB2 ALA 59 45.100 -14.221 -8.673 279 HB3 ALA 59 HB3 ALA 59 44.713 -15.227 -7.277 280 H GLY 60 HN GLY 60 43.535 -17.289 -7.791 281 HA2 GLY 60 HA2 GLY 60 42.985 -19.290 -9.092 282 HA3 GLY 60 HA1 GLY 60 43.556 -18.435 -10.516 283 H HIS 61 HN HIS 61 44.536 -20.860 -10.149 284 HA HIS 61 HA HIS 61 46.987 -20.893 -8.671 285 HB2 HIS 61 HB2 HIS 61 45.653 -22.935 -9.257 286 HB3 HIS 61 HB1 HIS 61 46.124 -22.713 -10.936 287 HD1 HIS 61 HD1 HIS 61 47.242 -24.145 -7.746 288 HD2 HIS 61 HD2 HIS 61 48.942 -23.178 -11.421 289 HE1 HIS 61 HE1 HIS 61 49.456 -25.337 -7.809 290 HE2 HIS 61 HE2 HIS 61 50.525 -24.642 -9.985 291 H TYR 62 HN TYR 62 46.026 -19.867 -11.827 292 HA TYR 62 HA TYR 62 48.833 -19.568 -12.649 293 HB2 TYR 62 HB2 TYR 62 46.374 -19.161 -14.358 294 HB3 TYR 62 HB1 TYR 62 48.040 -19.287 -14.903 295 HD1 TYR 62 HD1 TYR 62 49.224 -21.585 -14.231 296 HD2 TYR 62 HD2 TYR 62 45.024 -21.001 -14.575 297 HE1 TYR 62 HE1 TYR 62 48.919 -24.001 -14.581 298 HE2 TYR 62 HE2 TYR 62 44.708 -23.413 -14.922 299 HH TYR 62 HH TYR 62 46.075 -25.339 -15.758 300 H ALA 63 HN ALA 63 45.788 -17.788 -12.992 301 HA ALA 63 HA ALA 63 45.207 -15.621 -12.804 302 HB1 ALA 63 HB1 ALA 63 46.242 -15.801 -10.561 303 HB2 ALA 63 HB2 ALA 63 46.351 -14.182 -11.253 304 HB3 ALA 63 HB3 ALA 63 47.764 -15.239 -11.252 305 H ARG 64 HN ARG 64 48.717 -15.180 -12.919 306 HA ARG 64 HA ARG 64 49.096 -14.482 -15.557 307 HB2 ARG 64 HB2 ARG 64 47.359 -12.740 -15.143 308 HB3 ARG 64 HB1 ARG 64 48.375 -12.059 -13.879 309 HG2 ARG 64 HG2 ARG 64 50.129 -11.687 -15.637 310 HG3 ARG 64 HG1 ARG 64 48.910 -12.136 -16.835 311 HD2 ARG 64 HD2 ARG 64 47.455 -10.346 -15.989 312 HD3 ARG 64 HD1 ARG 64 48.712 -9.880 -14.846 313 HE ARG 64 HE ARG 64 49.228 -9.830 -17.741 314 HH11 ARG 64 HH11 ARG 64 49.108 -8.210 -14.635 315 HH12 ARG 64 HH12 ARG 64 49.739 -6.718 -15.249 316 HH21 ARG 64 HH21 ARG 64 50.057 -7.860 -18.545 317 HH22 ARG 64 HH22 ARG 64 50.264 -6.512 -17.466 318 H ASP 65 HN ASP 65 49.649 -12.661 -12.600 319 HA ASP 65 HA ASP 65 52.139 -13.671 -11.884 320 HB2 ASP 65 HB2 ASP 65 53.703 -11.983 -12.585 321 HB3 ASP 65 HB1 ASP 65 52.859 -12.523 -14.030 322 H GLY 66 HN GLY 66 49.997 -10.924 -12.098 323 HA2 GLY 66 HA2 GLY 66 49.001 -10.695 -9.694 324 HA3 GLY 66 HA1 GLY 66 50.633 -10.125 -9.366 325 H SER 67 HN SER 67 49.927 -8.088 -8.816 326 HA SER 67 HA SER 67 49.800 -6.203 -10.931 327 HB2 SER 67 HB2 SER 67 47.559 -5.291 -10.459 328 HB3 SER 67 HB1 SER 67 47.446 -6.966 -11.002 329 HG SER 67 HG SER 67 47.300 -7.567 -8.762 330 H THR 68 HN THR 68 48.843 -4.002 -9.623 331 HA THR 68 HA THR 68 50.566 -3.856 -7.271 332 HB THR 68 HB THR 68 50.660 -2.072 -9.056 333 HG1 THR 68 HG1 THR 68 51.125 -1.839 -6.641 334 HG21 THR 68 HG21 THR 68 48.247 -1.924 -9.504 335 HG22 THR 68 HG22 THR 68 48.931 -0.354 -9.078 336 HG23 THR 68 HG23 THR 68 47.996 -1.263 -7.889 337 H ALA 69 HN ALA 69 47.852 -5.202 -7.553 338 HA ALA 69 HA ALA 69 46.062 -5.661 -6.244 339 HB1 ALA 69 HB1 ALA 69 46.105 -4.955 -3.887 340 HB2 ALA 69 HB2 ALA 69 47.489 -3.920 -4.236 341 HB3 ALA 69 HB3 ALA 69 47.633 -5.670 -4.399 342 H SER 70 HN SER 70 45.990 -3.498 -8.101 343 HA SER 70 HA SER 70 43.616 -2.179 -7.076 344 HB2 SER 70 HB2 SER 70 45.479 -0.612 -6.565 345 HB3 SER 70 HB1 SER 70 45.904 -0.590 -8.273 346 HG SER 70 HG SER 70 43.983 0.799 -6.956 347 H ASP 71 HN ASP 71 42.222 -2.941 -8.508 348 HA ASP 71 HA ASP 71 42.877 -3.372 -11.273 349 HB2 ASP 71 HB2 ASP 71 41.292 -4.870 -10.376 350 HB3 ASP 71 HB1 ASP 71 40.338 -3.572 -9.668 351 H ALA 72 HN ALA 72 40.250 -1.449 -9.886 352 HA ALA 72 HA ALA 72 39.364 0.577 -10.380 353 HB1 ALA 72 HB1 ALA 72 42.122 1.243 -11.396 354 HB2 ALA 72 HB2 ALA 72 41.627 1.302 -9.705 355 HB3 ALA 72 HB3 ALA 72 40.877 2.380 -10.880 356 H GLY 73 HN GLY 73 39.310 -1.547 -12.446 357 HA2 GLY 73 HA2 GLY 73 38.747 0.235 -14.730 358 HA3 GLY 73 HA1 GLY 73 39.677 -1.235 -14.974 359 H GLU 74 HN GLU 74 38.212 -2.890 -13.191 360 HA GLU 74 HA GLU 74 35.970 -3.501 -14.922 361 HB2 GLU 74 HB2 GLU 74 37.475 -5.280 -14.164 362 HB3 GLU 74 HB1 GLU 74 37.081 -4.920 -12.492 363 HG2 GLU 74 HG2 GLU 74 35.923 -6.897 -13.260 364 HG3 GLU 74 HG1 GLU 74 34.786 -5.610 -12.866 365 H THR 75 HN THR 75 36.551 -2.346 -11.671 366 HA THR 75 HA THR 75 35.225 -1.575 -10.003 367 HB THR 75 HB THR 75 33.335 -0.120 -10.664 368 HG1 THR 75 HG1 THR 75 33.381 -1.625 -12.885 369 HG21 THR 75 HG21 THR 75 35.830 0.220 -12.332 370 HG22 THR 75 HG22 THR 75 35.607 0.767 -10.670 371 HG23 THR 75 HG23 THR 75 34.657 1.486 -11.972 372 H HIS 76 HN HIS 76 34.648 -3.473 -8.973 373 HA HIS 76 HA HIS 76 32.207 -4.828 -9.854 374 HB2 HIS 76 HB2 HIS 76 34.602 -5.660 -8.328 375 HB3 HIS 76 HB1 HIS 76 33.076 -6.398 -7.849 376 HD1 HIS 76 HD1 HIS 76 34.549 -8.541 -8.789 377 HD2 HIS 76 HD2 HIS 76 32.941 -5.904 -11.575 378 HE1 HIS 76 HE1 HIS 76 34.549 -9.783 -10.979 379 HE2 HIS 76 HE2 HIS 76 33.391 -8.240 -12.599 380 H PHE 77 HN PHE 77 32.581 -2.263 -8.096 381 HA PHE 77 HA PHE 77 30.285 -3.023 -6.447 382 HB2 PHE 77 HB2 PHE 77 32.296 -2.865 -4.980 383 HB3 PHE 77 HB1 PHE 77 32.521 -1.202 -5.507 384 HD1 PHE 77 HD1 PHE 77 31.049 0.562 -4.724 385 HD2 PHE 77 HD2 PHE 77 30.514 -3.466 -3.463 386 HE1 PHE 77 HE1 PHE 77 29.576 1.332 -2.913 387 HE2 PHE 77 HE2 PHE 77 29.037 -2.705 -1.649 388 HZ PHE 77 HZ PHE 77 28.568 -0.302 -1.371 389 H ARG 78 HN ARG 78 28.620 -1.637 -6.617 390 HA ARG 78 HA ARG 78 29.067 1.075 -7.571 391 HB2 ARG 78 HB2 ARG 78 28.751 0.046 -9.673 392 HB3 ARG 78 HB1 ARG 78 27.475 -0.997 -9.064 393 HG2 ARG 78 HG2 ARG 78 25.984 0.908 -8.850 394 HG3 ARG 78 HG1 ARG 78 27.268 1.990 -9.398 395 HD2 ARG 78 HD2 ARG 78 27.303 0.936 -11.559 396 HD3 ARG 78 HD1 ARG 78 26.162 -0.296 -11.023 397 HE ARG 78 HE ARG 78 24.668 1.823 -10.661 398 HH11 ARG 78 HH11 ARG 78 26.899 1.230 -13.284 399 HH12 ARG 78 HH12 ARG 78 25.950 2.086 -14.461 400 HH21 ARG 78 HH21 ARG 78 23.404 2.977 -12.199 401 HH22 ARG 78 HH22 ARG 78 23.984 3.105 -13.837 402 H LEU 79 HN LEU 79 27.871 2.431 -6.486 403 HA LEU 79 HA LEU 79 25.358 1.474 -5.286 404 HB2 LEU 79 HB2 LEU 79 27.184 2.078 -3.677 405 HB3 LEU 79 HB1 LEU 79 27.149 3.707 -4.308 406 HG LEU 79 HG LEU 79 25.967 3.313 -2.099 407 HD11 LEU 79 HD11 LEU 79 25.598 5.329 -3.403 408 HD12 LEU 79 HD12 LEU 79 24.101 4.792 -2.640 409 HD13 LEU 79 HD13 LEU 79 24.367 4.504 -4.359 410 HD21 LEU 79 HD21 LEU 79 24.887 1.204 -2.668 411 HD22 LEU 79 HD22 LEU 79 23.927 2.019 -3.902 412 HD23 LEU 79 HD23 LEU 79 23.701 2.422 -2.199 413 H GLU 80 HN GLU 80 23.598 2.359 -6.095 414 HA GLU 80 HA GLU 80 23.787 4.994 -7.395 415 HB2 GLU 80 HB2 GLU 80 23.633 3.338 -9.129 416 HB3 GLU 80 HB1 GLU 80 22.308 2.529 -8.314 417 HG2 GLU 80 HG2 GLU 80 20.984 4.660 -8.645 418 HG3 GLU 80 HG1 GLU 80 22.285 5.174 -9.723 419 H VAL 81 HN VAL 81 22.458 6.447 -6.538 420 HA VAL 81 HA VAL 81 19.927 5.499 -5.400 421 HB VAL 81 HB VAL 81 20.117 7.440 -3.737 422 HG11 VAL 81 HG11 VAL 81 20.205 5.110 -3.064 423 HG12 VAL 81 HG12 VAL 81 21.359 6.061 -2.130 424 HG13 VAL 81 HG13 VAL 81 21.925 5.043 -3.454 425 HG21 VAL 81 HG21 VAL 81 22.056 8.531 -4.773 426 HG22 VAL 81 HG22 VAL 81 23.045 7.116 -4.405 427 HG23 VAL 81 HG23 VAL 81 22.377 8.093 -3.096 428 H THR 82 HN THR 82 18.325 6.290 -6.474 429 HA THR 82 HA THR 82 18.560 8.910 -7.785 430 HB THR 82 HB THR 82 17.011 6.484 -8.725 431 HG1 THR 82 HG1 THR 82 19.571 6.936 -8.907 432 HG21 THR 82 HG21 THR 82 17.498 9.149 -10.066 433 HG22 THR 82 HG22 THR 82 15.960 8.577 -9.418 434 HG23 THR 82 HG23 THR 82 16.691 7.762 -10.799 435 H SER 83 HN SER 83 17.297 10.309 -6.654 436 HA SER 83 HA SER 83 14.848 9.293 -5.433 437 HB2 SER 83 HB2 SER 83 16.250 11.958 -5.175 438 HB3 SER 83 HB1 SER 83 14.729 11.561 -4.378 439 HG SER 83 HG SER 83 16.022 10.893 -2.858 440 H ASP 84 HN ASP 84 13.320 9.085 -6.906 441 HA ASP 84 HA ASP 84 11.620 9.614 -8.291 442 HB2 ASP 84 HB2 ASP 84 11.441 11.441 -6.463 443 HB3 ASP 84 HB1 ASP 84 12.051 12.527 -7.708 444 H ALA 85 HN ALA 85 14.646 10.171 -9.074 445 HA ALA 85 HA ALA 85 15.675 10.156 -11.091 446 HB1 ALA 85 HB1 ALA 85 14.429 9.978 -13.138 447 HB2 ALA 85 HB2 ALA 85 12.958 10.518 -12.330 448 HB3 ALA 85 HB3 ALA 85 13.680 8.968 -11.901 449 H PHE 86 HN PHE 86 14.771 12.770 -9.641 450 HA PHE 86 HA PHE 86 15.677 14.487 -11.850 451 HB2 PHE 86 HB2 PHE 86 13.432 15.083 -9.928 452 HB3 PHE 86 HB1 PHE 86 14.224 16.325 -10.890 453 HD1 PHE 86 HD1 PHE 86 14.188 16.063 -13.421 454 HD2 PHE 86 HD2 PHE 86 11.676 13.831 -10.813 455 HE1 PHE 86 HE1 PHE 86 12.669 15.589 -15.297 456 HE2 PHE 86 HE2 PHE 86 10.151 13.352 -12.686 457 HZ PHE 86 HZ PHE 86 10.649 14.231 -14.931 458 H LYS 87 HN LYS 87 16.707 16.489 -11.151 459 HA LYS 87 HA LYS 87 18.231 16.036 -8.692 460 HB2 LYS 87 HB2 LYS 87 18.785 17.527 -11.227 461 HB3 LYS 87 HB1 LYS 87 19.633 17.981 -9.757 462 HG2 LYS 87 HG2 LYS 87 19.631 15.229 -10.971 463 HG3 LYS 87 HG1 LYS 87 20.911 16.428 -11.161 464 HD2 LYS 87 HD2 LYS 87 20.009 15.126 -8.591 465 HD3 LYS 87 HD1 LYS 87 21.531 14.853 -9.439 466 HE2 LYS 87 HE2 LYS 87 20.638 17.420 -8.128 467 HE3 LYS 87 HE1 LYS 87 21.869 16.311 -7.529 468 HZ1 LYS 87 HZ1 LYS 87 22.927 18.146 -8.591 469 HZ2 LYS 87 HZ2 LYS 87 22.002 17.954 -9.998 470 HZ3 LYS 87 HZ3 LYS 87 23.152 16.783 -9.576 471 H GLY 88 HN GLY 88 18.512 17.606 -7.139 472 HA2 GLY 88 HA2 GLY 88 17.473 20.251 -7.357 473 HA3 GLY 88 HA1 GLY 88 16.395 19.223 -6.425 474 H LEU 89 HN LEU 89 18.539 17.613 -5.297 475 HA LEU 89 HA LEU 89 19.581 19.579 -3.384 476 HB2 LEU 89 HB2 LEU 89 18.406 16.894 -3.061 477 HB3 LEU 89 HB1 LEU 89 19.843 17.190 -2.104 478 HG LEU 89 HG LEU 89 17.848 17.657 -0.809 479 HD11 LEU 89 HD11 LEU 89 18.375 19.934 -0.101 480 HD12 LEU 89 HD12 LEU 89 19.327 20.169 -1.566 481 HD13 LEU 89 HD13 LEU 89 19.836 18.980 -0.367 482 HD21 LEU 89 HD21 LEU 89 16.336 19.477 -1.404 483 HD22 LEU 89 HD22 LEU 89 16.328 18.211 -2.632 484 HD23 LEU 89 HD23 LEU 89 17.206 19.712 -2.921 485 H THR 90 HN THR 90 21.662 19.092 -2.433 486 HA THR 90 HA THR 90 23.647 18.635 -4.334 487 HB THR 90 HB THR 90 24.212 18.206 -1.432 488 HG1 THR 90 HG1 THR 90 24.073 20.859 -2.197 489 HG21 THR 90 HG21 THR 90 25.533 19.804 -3.629 490 HG22 THR 90 HG22 THR 90 26.040 18.216 -3.050 491 HG23 THR 90 HG23 THR 90 26.148 19.619 -1.986 492 H LEU 91 HN LEU 91 24.687 16.867 -5.019 493 HA LEU 91 HA LEU 91 23.540 14.332 -4.559 494 HB2 LEU 91 HB2 LEU 91 25.185 13.458 -6.078 495 HB3 LEU 91 HB1 LEU 91 24.582 14.982 -6.693 496 HG LEU 91 HG LEU 91 27.198 14.761 -5.209 497 HD11 LEU 91 HD11 LEU 91 28.282 14.751 -7.410 498 HD12 LEU 91 HD12 LEU 91 26.702 14.595 -8.179 499 HD13 LEU 91 HD13 LEU 91 27.311 13.304 -7.143 500 HD21 LEU 91 HD21 LEU 91 26.078 16.838 -7.090 501 HD22 LEU 91 HD22 LEU 91 27.684 16.868 -6.362 502 HD23 LEU 91 HD23 LEU 91 26.253 16.999 -5.342 503 H VAL 92 HN VAL 92 26.553 15.790 -3.390 504 HA VAL 92 HA VAL 92 27.633 13.408 -2.322 505 HB VAL 92 HB VAL 92 29.153 14.877 -1.027 506 HG11 VAL 92 HG11 VAL 92 29.692 14.275 -3.320 507 HG12 VAL 92 HG12 VAL 92 30.236 15.914 -2.967 508 HG13 VAL 92 HG13 VAL 92 28.771 15.656 -3.918 509 HG21 VAL 92 HG21 VAL 92 27.541 17.124 -2.235 510 HG22 VAL 92 HG22 VAL 92 29.045 17.300 -1.331 511 HG23 VAL 92 HG23 VAL 92 27.599 16.691 -0.526 512 H LYS 93 HN LYS 93 25.229 15.574 -1.185 513 HA LYS 93 HA LYS 93 25.341 15.109 1.585 514 HB2 LYS 93 HB2 LYS 93 23.979 16.831 0.193 515 HB3 LYS 93 HB1 LYS 93 22.785 15.550 0.062 516 HG2 LYS 93 HG2 LYS 93 22.623 15.477 2.513 517 HG3 LYS 93 HG1 LYS 93 23.793 16.797 2.612 518 HD2 LYS 93 HD2 LYS 93 22.188 18.084 1.082 519 HD3 LYS 93 HD1 LYS 93 21.002 16.849 1.497 520 HE2 LYS 93 HE2 LYS 93 22.461 18.623 3.451 521 HE3 LYS 93 HE1 LYS 93 20.796 18.832 2.916 522 HZ1 LYS 93 HZ1 LYS 93 20.323 16.612 3.872 523 HZ2 LYS 93 HZ2 LYS 93 20.794 17.763 5.022 524 HZ3 LYS 93 HZ3 LYS 93 21.896 16.584 4.507 525 H ARG 94 HN ARG 94 23.958 13.323 -1.079 526 HA ARG 94 HA ARG 94 22.313 11.591 0.467 527 HB2 ARG 94 HB2 ARG 94 22.276 12.104 -2.107 528 HB3 ARG 94 HB1 ARG 94 23.466 10.818 -2.191 529 HG2 ARG 94 HG2 ARG 94 21.247 9.970 -2.647 530 HG3 ARG 94 HG1 ARG 94 21.894 9.263 -1.167 531 HD2 ARG 94 HD2 ARG 94 20.558 10.765 0.177 532 HD3 ARG 94 HD1 ARG 94 19.988 11.598 -1.268 533 HE ARG 94 HE ARG 94 19.359 8.854 -1.441 534 HH11 ARG 94 HH11 ARG 94 18.406 11.708 0.354 535 HH12 ARG 94 HH12 ARG 94 16.747 11.210 0.513 536 HH21 ARG 94 HH21 ARG 94 17.173 8.193 -1.189 537 HH22 ARG 94 HH22 ARG 94 16.062 9.218 -0.339 538 H HIS 95 HN HIS 95 25.649 11.570 -0.541 539 HA HIS 95 HA HIS 95 26.147 8.808 -0.108 540 HB2 HIS 95 HB2 HIS 95 27.962 11.201 -0.329 541 HB3 HIS 95 HB1 HIS 95 28.588 9.590 0.004 542 HD1 HIS 95 HD1 HIS 95 29.251 11.243 -2.576 543 HD2 HIS 95 HD2 HIS 95 26.406 8.218 -2.296 544 HE1 HIS 95 HE1 HIS 95 28.960 10.368 -4.910 545 HE2 HIS 95 HE2 HIS 95 27.452 8.374 -4.660 546 H GLN 96 HN GLN 96 26.428 11.683 1.905 547 HA GLN 96 HA GLN 96 27.753 10.432 4.071 548 HB2 GLN 96 HB2 GLN 96 27.774 12.844 3.816 549 HB3 GLN 96 HB1 GLN 96 26.025 12.911 3.988 550 HG2 GLN 96 HG2 GLN 96 27.087 13.618 6.030 551 HG3 GLN 96 HG1 GLN 96 26.231 12.101 6.294 552 HE21 GLN 96 HE21 GLN 96 27.418 10.207 6.624 553 HE22 GLN 96 HE22 GLN 96 29.093 10.248 7.071 554 H LEU 97 HN LEU 97 24.395 10.697 3.160 555 HA LEU 97 HA LEU 97 23.250 10.112 5.665 556 HB2 LEU 97 HB2 LEU 97 22.167 9.651 2.892 557 HB3 LEU 97 HB1 LEU 97 21.224 9.542 4.366 558 HG LEU 97 HG LEU 97 22.560 12.040 3.313 559 HD11 LEU 97 HD11 LEU 97 20.622 11.390 1.989 560 HD12 LEU 97 HD12 LEU 97 20.268 12.824 2.951 561 HD13 LEU 97 HD13 LEU 97 19.651 11.252 3.456 562 HD21 LEU 97 HD21 LEU 97 21.335 13.172 5.127 563 HD22 LEU 97 HD22 LEU 97 22.526 12.026 5.741 564 HD23 LEU 97 HD23 LEU 97 20.814 11.601 5.738 565 H ILE 98 HN ILE 98 24.646 8.057 3.222 566 HA ILE 98 HA ILE 98 23.624 5.700 4.659 567 HB ILE 98 HB ILE 98 24.090 4.406 2.595 568 HG12 ILE 98 HG12 ILE 98 24.590 7.139 1.385 569 HG13 ILE 98 HG11 ILE 98 25.796 5.878 1.617 570 HG21 ILE 98 HG21 ILE 98 21.848 5.211 3.067 571 HG22 ILE 98 HG22 ILE 98 22.164 5.263 1.332 572 HG23 ILE 98 HG23 ILE 98 22.214 6.748 2.283 573 HD11 ILE 98 HD11 ILE 98 23.387 5.683 -0.170 574 HD12 ILE 98 HD12 ILE 98 24.628 4.448 0.042 575 HD13 ILE 98 HD13 ILE 98 25.041 5.997 -0.691 576 H TYR 99 HN TYR 99 26.490 7.295 3.497 577 HA TYR 99 HA TYR 99 28.714 6.880 3.637 578 HB2 TYR 99 HB2 TYR 99 29.469 6.406 6.002 579 HB3 TYR 99 HB1 TYR 99 28.416 7.795 5.786 580 HD1 TYR 99 HD1 TYR 99 26.338 7.936 6.900 581 HD2 TYR 99 HD2 TYR 99 28.531 4.294 6.999 582 HE1 TYR 99 HE1 TYR 99 24.835 7.091 8.648 583 HE2 TYR 99 HE2 TYR 99 27.031 3.432 8.747 584 HH TYR 99 HH TYR 99 24.084 4.907 9.537 585 H GLY 100 HN GLY 100 27.418 4.613 2.498 586 HA2 GLY 100 HA2 GLY 100 28.840 2.336 3.679 587 HA3 GLY 100 HA1 GLY 100 27.533 2.236 2.512 588 H LEU 101 HN LEU 101 29.641 4.612 1.530 589 HA LEU 101 HA LEU 101 30.352 3.032 -0.753 590 HB2 LEU 101 HB2 LEU 101 31.277 5.825 -0.071 591 HB3 LEU 101 HB1 LEU 101 31.368 5.049 -1.638 592 HG LEU 101 HG LEU 101 29.584 6.512 -1.855 593 HD11 LEU 101 HD11 LEU 101 27.562 5.148 -1.992 594 HD12 LEU 101 HD12 LEU 101 28.359 3.885 -1.054 595 HD13 LEU 101 HD13 LEU 101 28.971 4.320 -2.648 596 HD21 LEU 101 HD21 LEU 101 27.769 6.758 -0.205 597 HD22 LEU 101 HD22 LEU 101 29.348 7.211 0.437 598 HD23 LEU 101 HD23 LEU 101 28.631 5.660 0.874 599 H LEU 102 HN LEU 102 32.423 2.579 -1.524 600 HA LEU 102 HA LEU 102 34.634 2.139 -1.560 601 HB2 LEU 102 HB2 LEU 102 34.813 4.492 -0.773 602 HB3 LEU 102 HB1 LEU 102 34.851 3.900 0.875 603 HG LEU 102 HG LEU 102 36.890 2.717 -0.890 604 HD11 LEU 102 HD11 LEU 102 36.851 4.985 -1.783 605 HD12 LEU 102 HD12 LEU 102 38.318 4.703 -0.844 606 HD13 LEU 102 HD13 LEU 102 36.994 5.640 -0.151 607 HD21 LEU 102 HD21 LEU 102 38.307 3.200 1.068 608 HD22 LEU 102 HD22 LEU 102 36.859 2.289 1.497 609 HD23 LEU 102 HD23 LEU 102 36.943 4.017 1.832 610 H SER 103 HN SER 103 32.759 1.387 1.150 611 HA SER 103 HA SER 103 34.499 0.259 2.954 612 HB2 SER 103 HB2 SER 103 32.506 -1.164 3.611 613 HB3 SER 103 HB1 SER 103 32.217 0.576 3.546 614 HG SER 103 HG SER 103 30.864 0.294 1.947 615 H ASP 104 HN ASP 104 32.565 -1.740 0.700 616 HA ASP 104 HA ASP 104 34.318 -3.974 1.129 617 HB2 ASP 104 HB2 ASP 104 31.803 -4.099 0.699 618 HB3 ASP 104 HB1 ASP 104 32.190 -3.817 -0.999 619 H GLU 105 HN GLU 105 34.091 -1.438 -1.179 620 HA GLU 105 HA GLU 105 35.340 -2.538 -3.398 621 HB2 GLU 105 HB2 GLU 105 34.827 -0.463 -4.050 622 HB3 GLU 105 HB1 GLU 105 34.742 0.105 -2.392 623 HG2 GLU 105 HG2 GLU 105 37.153 0.482 -2.392 624 HG3 GLU 105 HG1 GLU 105 37.246 -0.120 -4.045 625 H PHE 106 HN PHE 106 36.733 -1.295 -0.417 626 HA PHE 106 HA PHE 106 39.444 -1.400 -1.155 627 HB2 PHE 106 HB2 PHE 106 38.615 -0.213 0.841 628 HB3 PHE 106 HB1 PHE 106 38.188 -1.750 1.581 629 HD1 PHE 106 HD1 PHE 106 41.049 0.245 0.337 630 HD2 PHE 106 HD2 PHE 106 39.751 -2.952 2.831 631 HE1 PHE 106 HE1 PHE 106 43.292 0.120 1.335 632 HE2 PHE 106 HE2 PHE 106 41.995 -3.084 3.832 633 HZ PHE 106 HZ PHE 106 43.766 -1.544 3.088 634 H LYS 107 HN LYS 107 37.215 -3.868 -0.068 635 HA LYS 107 HA LYS 107 39.258 -5.838 0.442 636 HB2 LYS 107 HB2 LYS 107 37.095 -5.819 1.654 637 HB3 LYS 107 HB1 LYS 107 36.267 -6.167 0.143 638 HG2 LYS 107 HG2 LYS 107 37.674 -8.274 0.017 639 HG3 LYS 107 HG1 LYS 107 38.126 -7.944 1.692 640 HD2 LYS 107 HD2 LYS 107 36.279 -9.469 1.697 641 HD3 LYS 107 HD1 LYS 107 35.696 -7.902 2.264 642 HE2 LYS 107 HE2 LYS 107 34.859 -7.426 -0.002 643 HE3 LYS 107 HE1 LYS 107 35.392 -9.023 -0.521 644 HZ1 LYS 107 HZ1 LYS 107 33.039 -9.010 -0.015 645 HZ2 LYS 107 HZ2 LYS 107 33.343 -8.461 1.559 646 HZ3 LYS 107 HZ3 LYS 107 33.861 -9.999 1.084 647 H ALA 108 HN ALA 108 37.100 -4.944 -2.155 648 HA ALA 108 HA ALA 108 37.429 -7.289 -3.722 649 HB1 ALA 108 HB1 ALA 108 36.345 -6.012 -5.498 650 HB2 ALA 108 HB2 ALA 108 36.540 -4.532 -4.556 651 HB3 ALA 108 HB3 ALA 108 35.496 -5.825 -3.963 652 H GLY 109 HN GLY 109 39.016 -4.110 -3.742 653 HA2 GLY 109 HA2 GLY 109 41.358 -3.951 -4.240 654 HA3 GLY 109 HA1 GLY 109 41.199 -5.361 -5.274 655 H LEU 110 HN LEU 110 38.578 -3.537 -5.916 656 HA LEU 110 HA LEU 110 39.980 -1.972 -7.963 657 HB2 LEU 110 HB2 LEU 110 37.754 -2.123 -9.257 658 HB3 LEU 110 HB1 LEU 110 38.865 -3.469 -9.309 659 HG LEU 110 HG LEU 110 36.413 -4.035 -9.150 660 HD11 LEU 110 HD11 LEU 110 38.208 -5.117 -6.992 661 HD12 LEU 110 HD12 LEU 110 38.148 -5.662 -8.667 662 HD13 LEU 110 HD13 LEU 110 36.750 -5.889 -7.614 663 HD21 LEU 110 HD21 LEU 110 36.743 -3.125 -6.297 664 HD22 LEU 110 HD22 LEU 110 35.347 -3.966 -6.970 665 HD23 LEU 110 HD23 LEU 110 35.749 -2.341 -7.525 666 H HIS 111 HN HIS 111 38.617 -0.071 -8.751 667 HA HIS 111 HA HIS 111 37.713 1.372 -6.419 668 HB2 HIS 111 HB2 HIS 111 39.130 2.477 -8.145 669 HB3 HIS 111 HB1 HIS 111 37.823 2.282 -9.307 670 HD1 HIS 111 HD1 HIS 111 37.542 3.509 -5.721 671 HD2 HIS 111 HD2 HIS 111 36.969 4.849 -9.622 672 HE1 HIS 111 HE1 HIS 111 36.544 5.808 -5.514 673 HE2 HIS 111 HE2 HIS 111 36.015 6.510 -7.874 674 H ALA 112 HN ALA 112 35.645 2.293 -6.209 675 HA ALA 112 HA ALA 112 33.566 0.934 -7.794 676 HB1 ALA 112 HB1 ALA 112 33.391 1.901 -4.941 677 HB2 ALA 112 HB2 ALA 112 33.636 0.228 -5.441 678 HB3 ALA 112 HB3 ALA 112 32.130 1.056 -5.840 679 H LEU 113 HN LEU 113 31.532 2.151 -7.985 680 HA LEU 113 HA LEU 113 31.989 5.055 -8.026 681 HB2 LEU 113 HB2 LEU 113 30.769 5.236 -10.119 682 HB3 LEU 113 HB1 LEU 113 32.163 4.194 -10.314 683 HG LEU 113 HG LEU 113 29.415 3.055 -9.844 684 HD11 LEU 113 HD11 LEU 113 29.196 2.830 -12.269 685 HD12 LEU 113 HD12 LEU 113 30.676 3.763 -12.488 686 HD13 LEU 113 HD13 LEU 113 29.253 4.521 -11.775 687 HD21 LEU 113 HD21 LEU 113 31.888 1.964 -11.183 688 HD22 LEU 113 HD22 LEU 113 30.359 1.112 -10.976 689 HD23 LEU 113 HD23 LEU 113 31.323 1.547 -9.566 690 H SER 114 HN SER 114 30.360 6.294 -7.246 691 HA SER 114 HA SER 114 27.805 4.943 -6.723 692 HB2 SER 114 HB2 SER 114 27.643 6.274 -4.608 693 HB3 SER 114 HB1 SER 114 28.935 5.075 -4.603 694 HG SER 114 HG SER 114 30.099 7.172 -5.525 695 H MET 115 HN MET 115 26.278 5.856 -7.864 696 HA MET 115 HA MET 115 26.552 8.688 -8.595 697 HB2 MET 115 HB2 MET 115 24.998 8.201 -10.439 698 HB3 MET 115 HB1 MET 115 26.423 7.180 -10.505 699 HG2 MET 115 HG2 MET 115 25.194 5.316 -9.634 700 HG3 MET 115 HG1 MET 115 23.766 6.324 -9.403 701 HE1 MET 115 HE1 MET 115 23.756 8.115 -12.032 702 HE2 MET 115 HE2 MET 115 22.329 7.332 -11.351 703 HE3 MET 115 HE3 MET 115 22.707 7.142 -13.063 704 H THR 116 HN THR 116 25.211 10.129 -7.749 705 HA THR 116 HA THR 116 22.742 9.152 -6.519 706 HB THR 116 HB THR 116 24.034 9.519 -4.637 707 HG1 THR 116 HG1 THR 116 22.767 12.014 -5.185 708 HG21 THR 116 HG21 THR 116 25.153 12.007 -5.924 709 HG22 THR 116 HG22 THR 116 25.987 10.461 -5.752 710 HG23 THR 116 HG23 THR 116 25.564 11.403 -4.320 711 H THR 117 HN THR 117 21.161 9.933 -7.720 712 HA THR 117 HA THR 117 21.151 12.835 -8.181 713 HB THR 117 HB THR 117 20.952 11.860 -10.328 714 HG1 THR 117 HG1 THR 117 18.855 12.499 -10.935 715 HG21 THR 117 HG21 THR 117 19.320 10.109 -10.889 716 HG22 THR 117 HG22 THR 117 18.868 10.003 -9.187 717 HG23 THR 117 HG23 THR 117 20.499 9.564 -9.695 718 H LYS 118 HN LYS 118 19.473 13.988 -7.304 719 HA LYS 118 HA LYS 118 17.659 12.552 -5.516 720 HB2 LYS 118 HB2 LYS 118 20.089 13.122 -4.624 721 HB3 LYS 118 HB1 LYS 118 19.401 14.720 -4.406 722 HG2 LYS 118 HG2 LYS 118 18.164 12.256 -3.230 723 HG3 LYS 118 HG1 LYS 118 19.418 13.183 -2.409 724 HD2 LYS 118 HD2 LYS 118 17.850 15.203 -2.859 725 HD3 LYS 118 HD1 LYS 118 16.612 13.960 -3.069 726 HE2 LYS 118 HE2 LYS 118 17.321 13.039 -0.840 727 HE3 LYS 118 HE1 LYS 118 18.313 14.483 -0.647 728 HZ1 LYS 118 HZ1 LYS 118 15.378 14.306 -0.835 729 HZ2 LYS 118 HZ2 LYS 118 16.200 15.764 -1.042 730 HZ3 LYS 118 HZ3 LYS 118 16.307 14.940 0.434 731 H THR 119 HN THR 119 15.802 13.735 -5.060 732 HA THR 119 HA THR 119 15.361 15.975 -6.855 733 HB THR 119 HB THR 119 12.960 15.527 -5.628 734 HG1 THR 119 HG1 THR 119 13.804 12.912 -6.064 735 HG21 THR 119 HG21 THR 119 12.372 14.245 -7.631 736 HG22 THR 119 HG22 THR 119 14.085 14.074 -8.023 737 HG23 THR 119 HG23 THR 119 13.334 15.669 -8.030 738 HA PRO 120 HA PRO 120 14.910 19.017 -3.603 739 HB2 PRO 120 HB2 PRO 120 13.412 20.846 -4.863 740 HB3 PRO 120 HB1 PRO 120 15.080 20.529 -5.357 741 HG2 PRO 120 HG2 PRO 120 12.526 19.575 -6.585 742 HG3 PRO 120 HG1 PRO 120 13.995 20.171 -7.380 743 HD2 PRO 120 HD2 PRO 120 13.367 17.506 -7.072 744 HD3 PRO 120 HD1 PRO 120 15.013 18.132 -7.279 745 H ALA 121 HN ALA 121 12.319 17.241 -4.948 746 HA ALA 121 HA ALA 121 10.249 18.333 -3.269 747 HB1 ALA 121 HB1 ALA 121 9.680 17.442 -5.455 748 HB2 ALA 121 HB2 ALA 121 8.866 16.521 -4.191 749 HB3 ALA 121 HB3 ALA 121 10.290 15.856 -4.990 750 H GLU 122 HN GLU 122 12.672 15.945 -3.032 751 HA GLU 122 HA GLU 122 11.475 14.809 -0.612 752 HB2 GLU 122 HB2 GLU 122 12.473 13.264 -2.334 753 HB3 GLU 122 HB1 GLU 122 14.038 13.997 -2.005 754 HG2 GLU 122 HG2 GLU 122 13.363 13.332 0.488 755 HG3 GLU 122 HG1 GLU 122 12.449 12.103 -0.383 756 H GLN 123 HN GLN 123 12.321 15.280 1.385 757 HA GLN 123 HA GLN 123 14.393 17.323 1.463 758 HB2 GLN 123 HB2 GLN 123 12.803 16.138 3.743 759 HB3 GLN 123 HB1 GLN 123 13.823 17.570 3.811 760 HG2 GLN 123 HG2 GLN 123 12.288 18.548 2.034 761 HG3 GLN 123 HG1 GLN 123 11.199 17.212 2.406 762 HE21 GLN 123 HE21 GLN 123 12.604 20.158 3.528 763 HE22 GLN 123 HE22 GLN 123 11.582 20.369 4.906 Start of MODEL 5 1 H MET 24 HT3 MET 24 5.917 -8.104 5.762 2 HA MET 24 HA MET 24 5.774 -8.063 3.381 3 HB2 MET 24 HB2 MET 24 7.057 -5.579 4.545 4 HB3 MET 24 HB1 MET 24 6.227 -5.636 2.995 5 HG2 MET 24 HG2 MET 24 4.149 -6.213 4.108 6 HG3 MET 24 HG1 MET 24 4.970 -6.226 5.667 7 HE1 MET 24 HE1 MET 24 5.495 -3.693 2.677 8 HE2 MET 24 HE2 MET 24 4.345 -2.428 3.109 9 HE3 MET 24 HE3 MET 24 3.766 -4.029 2.650 10 H ALA 25 HN ALA 25 8.988 -6.993 4.493 11 HA ALA 25 HA ALA 25 10.065 -7.989 1.937 12 HB1 ALA 25 HB1 ALA 25 11.098 -5.650 3.539 13 HB2 ALA 25 HB2 ALA 25 10.165 -5.537 2.046 14 HB3 ALA 25 HB3 ALA 25 11.774 -6.261 2.029 15 H GLU 26 HN GLU 26 11.437 -9.616 2.163 16 HA GLU 26 HA GLU 26 12.404 -10.323 4.806 17 HB2 GLU 26 HB2 GLU 26 13.180 -12.395 3.724 18 HB3 GLU 26 HB1 GLU 26 11.478 -12.090 3.411 19 HG2 GLU 26 HG2 GLU 26 12.039 -11.235 1.193 20 HG3 GLU 26 HG1 GLU 26 13.745 -11.549 1.507 21 H HIS 27 HN HIS 27 14.705 -11.067 5.008 22 HA HIS 27 HA HIS 27 16.420 -9.063 3.719 23 HB2 HIS 27 HB2 HIS 27 16.744 -10.598 6.299 24 HB3 HIS 27 HB1 HIS 27 18.037 -9.639 5.584 25 HD1 HIS 27 HD1 HIS 27 14.599 -9.254 7.125 26 HD2 HIS 27 HD2 HIS 27 17.865 -6.919 6.015 27 HE1 HIS 27 HE1 HIS 27 14.141 -6.959 8.043 28 HE2 HIS 27 HE2 HIS 27 16.092 -5.541 7.308 29 H GLN 28 HN GLN 28 16.695 -10.144 1.808 30 HA GLN 28 HA GLN 28 17.756 -12.830 1.760 31 HB2 GLN 28 HB2 GLN 28 16.119 -12.022 0.076 32 HB3 GLN 28 HB1 GLN 28 17.306 -10.861 -0.497 33 HG2 GLN 28 HG2 GLN 28 18.755 -12.649 -1.226 34 HG3 GLN 28 HG1 GLN 28 17.649 -13.850 -0.555 35 HE21 GLN 28 HE21 GLN 28 15.701 -14.265 -1.591 36 HE22 GLN 28 HE22 GLN 28 15.412 -13.769 -3.226 37 H LEU 29 HN LEU 29 19.797 -13.425 1.108 38 HA LEU 29 HA LEU 29 22.044 -13.322 0.811 39 HB2 LEU 29 HB2 LEU 29 21.538 -10.418 0.148 40 HB3 LEU 29 HB1 LEU 29 23.095 -11.212 -0.004 41 HG LEU 29 HG LEU 29 20.607 -11.988 -1.533 42 HD11 LEU 29 HD11 LEU 29 21.443 -9.795 -2.207 43 HD12 LEU 29 HD12 LEU 29 21.722 -11.003 -3.462 44 HD13 LEU 29 HD13 LEU 29 23.055 -10.476 -2.433 45 HD21 LEU 29 HD21 LEU 29 22.156 -13.356 -2.855 46 HD22 LEU 29 HD22 LEU 29 22.123 -13.859 -1.165 47 HD23 LEU 29 HD23 LEU 29 23.474 -12.901 -1.774 48 H GLY 30 HN GLY 30 24.015 -11.689 1.637 49 HA2 GLY 30 HA2 GLY 30 23.909 -10.279 3.939 50 HA3 GLY 30 HA1 GLY 30 23.670 -11.925 4.498 51 HA PRO 31 HA PRO 31 28.003 -12.821 4.324 52 HB2 PRO 31 HB2 PRO 31 28.456 -14.811 2.534 53 HB3 PRO 31 HB1 PRO 31 27.650 -15.071 4.085 54 HG2 PRO 31 HG2 PRO 31 26.444 -14.702 1.366 55 HG3 PRO 31 HG1 PRO 31 26.033 -15.888 2.621 56 HD2 PRO 31 HD2 PRO 31 24.576 -13.659 2.237 57 HD3 PRO 31 HD1 PRO 31 24.822 -14.355 3.851 58 H ILE 32 HN ILE 32 26.737 -11.207 1.831 59 HA ILE 32 HA ILE 32 29.363 -10.548 0.767 60 HB ILE 32 HB ILE 32 28.234 -10.313 -1.556 61 HG12 ILE 32 HG12 ILE 32 26.617 -12.293 -1.918 62 HG13 ILE 32 HG11 ILE 32 26.377 -12.244 -0.177 63 HG21 ILE 32 HG21 ILE 32 28.935 -12.571 -2.177 64 HG22 ILE 32 HG22 ILE 32 28.985 -13.020 -0.472 65 HG23 ILE 32 HG23 ILE 32 30.090 -11.795 -1.093 66 HD11 ILE 32 HD11 ILE 32 25.824 -10.001 -2.101 67 HD12 ILE 32 HD12 ILE 32 25.590 -9.942 -0.352 68 HD13 ILE 32 HD13 ILE 32 24.627 -11.046 -1.335 69 H ALA 33 HN ALA 33 29.318 -8.468 -0.419 70 HA ALA 33 HA ALA 33 28.906 -6.244 -0.460 71 HB1 ALA 33 HB1 ALA 33 26.905 -6.947 -1.679 72 HB2 ALA 33 HB2 ALA 33 26.607 -5.500 -0.715 73 HB3 ALA 33 HB3 ALA 33 26.024 -7.068 -0.157 74 H GLY 34 HN GLY 34 30.048 -6.077 1.569 75 HA2 GLY 34 HA2 GLY 34 28.809 -6.075 4.104 76 HA3 GLY 34 HA1 GLY 34 30.294 -5.228 3.694 77 H ALA 35 HN ALA 35 28.937 -3.723 1.596 78 HA ALA 35 HA ALA 35 28.250 -1.382 2.938 79 HB1 ALA 35 HB1 ALA 35 27.475 -2.163 0.135 80 HB2 ALA 35 HB2 ALA 35 29.032 -1.485 0.606 81 HB3 ALA 35 HB3 ALA 35 27.562 -0.528 0.789 82 H ILE 36 HN ILE 36 26.358 -4.168 2.324 83 HA ILE 36 HA ILE 36 23.837 -3.201 1.767 84 HB ILE 36 HB ILE 36 24.543 -5.600 1.764 85 HG12 ILE 36 HG12 ILE 36 22.011 -5.067 3.331 86 HG13 ILE 36 HG11 ILE 36 22.161 -4.882 1.586 87 HG21 ILE 36 HG21 ILE 36 24.303 -6.892 3.841 88 HG22 ILE 36 HG22 ILE 36 24.077 -5.388 4.736 89 HG23 ILE 36 HG23 ILE 36 25.612 -5.714 3.931 90 HD11 ILE 36 HD11 ILE 36 21.116 -6.984 2.080 91 HD12 ILE 36 HD12 ILE 36 22.438 -7.432 3.158 92 HD13 ILE 36 HD13 ILE 36 22.728 -7.282 1.423 93 H LYS 37 HN LYS 37 25.468 -3.275 4.882 94 HA LYS 37 HA LYS 37 23.250 -2.875 6.553 95 HB2 LYS 37 HB2 LYS 37 26.176 -2.334 6.786 96 HB3 LYS 37 HB1 LYS 37 25.098 -1.618 7.976 97 HG2 LYS 37 HG2 LYS 37 25.256 -4.557 7.342 98 HG3 LYS 37 HG1 LYS 37 26.054 -3.764 8.703 99 HD2 LYS 37 HD2 LYS 37 23.825 -2.998 9.491 100 HD3 LYS 37 HD1 LYS 37 23.086 -3.936 8.192 101 HE2 LYS 37 HE2 LYS 37 24.028 -5.981 9.119 102 HE3 LYS 37 HE1 LYS 37 24.818 -5.053 10.394 103 HZ1 LYS 37 HZ1 LYS 37 21.889 -5.311 9.970 104 HZ2 LYS 37 HZ2 LYS 37 22.615 -4.349 11.163 105 HZ3 LYS 37 HZ3 LYS 37 22.790 -6.036 11.212 106 H SER 38 HN SER 38 25.231 -0.588 4.753 107 HA SER 38 HA SER 38 24.180 1.760 5.888 108 HB2 SER 38 HB2 SER 38 25.412 1.316 3.163 109 HB3 SER 38 HB1 SER 38 25.144 2.887 3.918 110 HG SER 38 HG SER 38 26.830 2.597 5.135 111 H LYS 39 HN LYS 39 23.291 -0.012 2.918 112 HA LYS 39 HA LYS 39 21.318 1.844 2.138 113 HB2 LYS 39 HB2 LYS 39 20.660 0.345 0.465 114 HB3 LYS 39 HB1 LYS 39 22.379 0.068 0.672 115 HG2 LYS 39 HG2 LYS 39 21.950 -1.956 1.909 116 HG3 LYS 39 HG1 LYS 39 20.211 -1.653 1.859 117 HD2 LYS 39 HD2 LYS 39 20.353 -1.725 -0.639 118 HD3 LYS 39 HD1 LYS 39 22.033 -2.230 -0.471 119 HE2 LYS 39 HE2 LYS 39 21.332 -4.208 0.761 120 HE3 LYS 39 HE1 LYS 39 19.649 -3.701 0.641 121 HZ1 LYS 39 HZ1 LYS 39 19.805 -3.892 -1.767 122 HZ2 LYS 39 HZ2 LYS 39 20.176 -5.368 -1.024 123 HZ3 LYS 39 HZ3 LYS 39 21.416 -4.394 -1.644 124 H VAL 40 HN VAL 40 21.211 -0.897 4.324 125 HA VAL 40 HA VAL 40 18.411 -1.071 4.620 126 HB VAL 40 HB VAL 40 20.580 -1.677 6.645 127 HG11 VAL 40 HG11 VAL 40 17.687 -2.525 6.652 128 HG12 VAL 40 HG12 VAL 40 18.402 -1.316 7.718 129 HG13 VAL 40 HG13 VAL 40 18.918 -3.000 7.822 130 HG21 VAL 40 HG21 VAL 40 20.241 -4.006 5.977 131 HG22 VAL 40 HG22 VAL 40 20.751 -3.013 4.610 132 HG23 VAL 40 HG23 VAL 40 19.061 -3.490 4.772 133 H GLU 41 HN GLU 41 20.852 0.924 6.214 134 HA GLU 41 HA GLU 41 19.187 2.199 8.083 135 HB2 GLU 41 HB2 GLU 41 21.668 2.295 8.090 136 HB3 GLU 41 HB1 GLU 41 21.617 3.301 6.650 137 HG2 GLU 41 HG2 GLU 41 22.002 4.702 8.532 138 HG3 GLU 41 HG1 GLU 41 20.366 5.003 7.952 139 H ALA 42 HN ALA 42 20.023 2.994 4.751 140 HA ALA 42 HA ALA 42 18.613 5.430 4.568 141 HB1 ALA 42 HB1 ALA 42 20.377 4.759 3.009 142 HB2 ALA 42 HB2 ALA 42 18.889 5.206 2.172 143 HB3 ALA 42 HB3 ALA 42 19.318 3.506 2.363 144 H ALA 43 HN ALA 43 17.510 2.176 4.546 145 HA ALA 43 HA ALA 43 15.340 2.357 2.776 146 HB1 ALA 43 HB1 ALA 43 14.555 0.299 3.767 147 HB2 ALA 43 HB2 ALA 43 15.622 0.532 5.151 148 HB3 ALA 43 HB3 ALA 43 16.306 0.242 3.552 149 H LEU 44 HN LEU 44 15.647 3.514 6.024 150 HA LEU 44 HA LEU 44 12.786 3.626 6.447 151 HB2 LEU 44 HB2 LEU 44 15.074 4.765 8.049 152 HB3 LEU 44 HB1 LEU 44 13.391 4.866 8.522 153 HG LEU 44 HG LEU 44 15.051 2.358 8.279 154 HD11 LEU 44 HD11 LEU 44 13.741 3.677 10.654 155 HD12 LEU 44 HD12 LEU 44 15.467 3.694 10.288 156 HD13 LEU 44 HD13 LEU 44 14.662 2.173 10.674 157 HD21 LEU 44 HD21 LEU 44 13.063 1.170 9.069 158 HD22 LEU 44 HD22 LEU 44 12.785 1.929 7.501 159 HD23 LEU 44 HD23 LEU 44 12.131 2.664 8.965 160 H SER 45 HN SER 45 15.116 5.514 4.893 161 HA SER 45 HA SER 45 13.644 8.012 5.277 162 HB2 SER 45 HB2 SER 45 16.299 7.500 3.907 163 HB3 SER 45 HB1 SER 45 15.593 9.084 4.230 164 HG SER 45 HG SER 45 15.806 8.709 6.435 165 HA PRO 46 HA PRO 46 11.620 7.637 1.368 166 HB2 PRO 46 HB2 PRO 46 11.231 10.282 0.800 167 HB3 PRO 46 HB1 PRO 46 10.264 9.378 1.969 168 HG2 PRO 46 HG2 PRO 46 12.556 11.238 2.441 169 HG3 PRO 46 HG1 PRO 46 11.045 11.067 3.353 170 HD2 PRO 46 HD2 PRO 46 13.391 10.007 4.196 171 HD3 PRO 46 HD1 PRO 46 11.821 9.256 4.545 172 H THR 47 HN THR 47 13.158 6.807 0.006 173 HA THR 47 HA THR 47 14.032 8.426 -2.113 174 HB THR 47 HB THR 47 15.746 9.142 -0.433 175 HG1 THR 47 HG1 THR 47 16.550 9.352 -2.432 176 HG21 THR 47 HG21 THR 47 16.624 6.257 -0.576 177 HG22 THR 47 HG22 THR 47 15.955 7.074 0.838 178 HG23 THR 47 HG23 THR 47 17.522 7.565 0.194 179 H HIS 48 HN HIS 48 15.890 6.974 -3.344 180 HA HIS 48 HA HIS 48 15.093 4.156 -3.060 181 HB2 HIS 48 HB2 HIS 48 13.923 5.083 -5.016 182 HB3 HIS 48 HB1 HIS 48 15.454 5.651 -5.671 183 HD1 HIS 48 HD1 HIS 48 16.888 3.983 -6.950 184 HD2 HIS 48 HD2 HIS 48 13.571 2.243 -5.125 185 HE1 HIS 48 HE1 HIS 48 16.755 1.640 -7.861 186 HE2 HIS 48 HE2 HIS 48 14.802 0.571 -6.673 187 H PHE 49 HN PHE 49 16.779 2.872 -2.772 188 HA PHE 49 HA PHE 49 19.427 3.884 -3.525 189 HB2 PHE 49 HB2 PHE 49 20.257 2.260 -1.748 190 HB3 PHE 49 HB1 PHE 49 19.390 3.678 -1.174 191 HD1 PHE 49 HD1 PHE 49 17.129 3.463 -0.261 192 HD2 PHE 49 HD2 PHE 49 19.381 0.054 -1.453 193 HE1 PHE 49 HE1 PHE 49 15.609 2.016 1.017 194 HE2 PHE 49 HE2 PHE 49 17.858 -1.400 -0.180 195 HZ PHE 49 HZ PHE 49 15.968 -0.417 1.056 196 H LYS 50 HN LYS 50 20.331 2.946 -5.176 197 HA LYS 50 HA LYS 50 19.648 0.159 -5.818 198 HB2 LYS 50 HB2 LYS 50 19.234 1.667 -7.651 199 HB3 LYS 50 HB1 LYS 50 20.813 2.413 -7.465 200 HG2 LYS 50 HG2 LYS 50 21.883 0.349 -8.211 201 HG3 LYS 50 HG1 LYS 50 20.296 -0.411 -8.380 202 HD2 LYS 50 HD2 LYS 50 19.668 1.135 -10.099 203 HD3 LYS 50 HD1 LYS 50 21.122 2.098 -9.835 204 HE2 LYS 50 HE2 LYS 50 22.502 0.249 -10.612 205 HE3 LYS 50 HE1 LYS 50 21.065 -0.751 -10.826 206 HZ1 LYS 50 HZ1 LYS 50 20.287 0.720 -12.531 207 HZ2 LYS 50 HZ2 LYS 50 21.877 0.262 -12.906 208 HZ3 LYS 50 HZ3 LYS 50 21.566 1.801 -12.266 209 H LEU 51 HN LEU 51 21.050 -1.256 -5.023 210 HA LEU 51 HA LEU 51 23.903 -0.562 -5.058 211 HB2 LEU 51 HB2 LEU 51 22.896 -0.459 -2.766 212 HB3 LEU 51 HB1 LEU 51 22.499 -2.157 -2.907 213 HG LEU 51 HG LEU 51 25.353 -1.247 -3.152 214 HD11 LEU 51 HD11 LEU 51 25.602 -1.596 -0.741 215 HD12 LEU 51 HD12 LEU 51 23.858 -1.811 -0.593 216 HD13 LEU 51 HD13 LEU 51 24.515 -0.254 -1.095 217 HD21 LEU 51 HD21 LEU 51 24.760 -3.576 -3.731 218 HD22 LEU 51 HD22 LEU 51 24.108 -3.792 -2.105 219 HD23 LEU 51 HD23 LEU 51 25.828 -3.477 -2.330 220 H ILE 52 HN ILE 52 24.899 -1.862 -6.469 221 HA ILE 52 HA ILE 52 24.290 -4.725 -6.232 222 HB ILE 52 HB ILE 52 23.491 -3.840 -8.421 223 HG12 ILE 52 HG12 ILE 52 24.306 -6.226 -8.061 224 HG13 ILE 52 HG11 ILE 52 24.226 -5.667 -9.723 225 HG21 ILE 52 HG21 ILE 52 26.401 -3.318 -8.966 226 HG22 ILE 52 HG22 ILE 52 25.119 -2.116 -8.830 227 HG23 ILE 52 HG23 ILE 52 25.111 -3.267 -10.167 228 HD11 ILE 52 HD11 ILE 52 26.227 -6.972 -9.343 229 HD12 ILE 52 HD12 ILE 52 26.717 -5.880 -8.049 230 HD13 ILE 52 HD13 ILE 52 26.643 -5.298 -9.712 231 H ASN 53 HN ASN 53 25.917 -5.799 -5.417 232 HA ASN 53 HA ASN 53 28.637 -4.728 -5.728 233 HB2 ASN 53 HB2 ASN 53 27.859 -4.185 -3.499 234 HB3 ASN 53 HB1 ASN 53 27.381 -5.858 -3.222 235 HD21 ASN 53 HD21 ASN 53 30.019 -3.626 -3.439 236 HD22 ASN 53 HD22 ASN 53 31.218 -4.680 -2.758 237 H ASP 54 HN ASP 54 29.987 -6.121 -6.608 238 HA ASP 54 HA ASP 54 29.221 -8.914 -6.849 239 HB2 ASP 54 HB2 ASP 54 30.146 -7.567 -8.773 240 HB3 ASP 54 HB1 ASP 54 31.694 -7.564 -7.941 241 H SER 55 HN SER 55 31.244 -7.009 -4.853 242 HA SER 55 HA SER 55 33.091 -7.383 -3.561 243 HB2 SER 55 HB2 SER 55 31.801 -10.120 -3.317 244 HB3 SER 55 HB1 SER 55 33.096 -9.514 -2.282 245 HG SER 55 HG SER 55 30.820 -7.920 -2.522 246 H HIS 56 HN HIS 56 33.858 -10.487 -3.553 247 HA HIS 56 HA HIS 56 34.842 -10.976 -6.176 248 HB2 HIS 56 HB2 HIS 56 36.583 -9.382 -5.263 249 HB3 HIS 56 HB1 HIS 56 36.935 -10.578 -4.022 250 HD1 HIS 56 HD1 HIS 56 38.896 -11.950 -4.572 251 HD2 HIS 56 HD2 HIS 56 36.886 -10.731 -7.996 252 HE1 HIS 56 HE1 HIS 56 40.248 -12.832 -6.494 253 HE2 HIS 56 HE2 HIS 56 38.890 -12.279 -8.539 254 H LYS 57 HN LYS 57 33.291 -12.608 -5.500 255 HA LYS 57 HA LYS 57 33.773 -14.249 -3.223 256 HB2 LYS 57 HB2 LYS 57 31.946 -15.675 -4.284 257 HB3 LYS 57 HB1 LYS 57 31.522 -14.018 -3.873 258 HG2 LYS 57 HG2 LYS 57 32.005 -13.419 -6.267 259 HG3 LYS 57 HG1 LYS 57 32.118 -15.149 -6.592 260 HD2 LYS 57 HD2 LYS 57 29.840 -15.487 -5.936 261 HD3 LYS 57 HD1 LYS 57 29.712 -13.825 -5.351 262 HE2 LYS 57 HE2 LYS 57 30.167 -14.657 -8.218 263 HE3 LYS 57 HE1 LYS 57 28.635 -14.109 -7.540 264 HZ1 LYS 57 HZ1 LYS 57 29.596 -11.962 -7.099 265 HZ2 LYS 57 HZ2 LYS 57 29.835 -12.347 -8.731 266 HZ3 LYS 57 HZ3 LYS 57 31.120 -12.476 -7.636 267 H HIS 58 HN HIS 58 34.689 -14.422 -6.570 268 HA HIS 58 HA HIS 58 36.164 -16.888 -5.959 269 HB2 HIS 58 HB2 HIS 58 34.706 -16.215 -8.524 270 HB3 HIS 58 HB1 HIS 58 35.867 -17.531 -8.375 271 HD1 HIS 58 HD1 HIS 58 32.363 -16.917 -8.235 272 HD2 HIS 58 HD2 HIS 58 34.992 -19.385 -6.158 273 HE1 HIS 58 HE1 HIS 58 30.934 -18.687 -7.158 274 HE2 HIS 58 HE2 HIS 58 32.522 -20.003 -5.706 275 H ALA 59 HN ALA 59 38.165 -17.123 -7.094 276 HA ALA 59 HA ALA 59 39.723 -14.818 -7.230 277 HB1 ALA 59 HB1 ALA 59 40.674 -17.043 -6.947 278 HB2 ALA 59 HB2 ALA 59 41.414 -16.215 -8.317 279 HB3 ALA 59 HB3 ALA 59 40.201 -17.466 -8.592 280 H GLY 60 HN GLY 60 38.250 -16.698 -9.862 281 HA2 GLY 60 HA2 GLY 60 37.350 -15.840 -11.840 282 HA3 GLY 60 HA1 GLY 60 38.041 -14.271 -11.450 283 H HIS 61 HN HIS 61 38.984 -17.560 -12.397 284 HA HIS 61 HA HIS 61 40.468 -18.338 -13.923 285 HB2 HIS 61 HB2 HIS 61 39.325 -16.687 -15.401 286 HB3 HIS 61 HB1 HIS 61 40.532 -15.490 -14.955 287 HD1 HIS 61 HD1 HIS 61 41.591 -15.175 -17.206 288 HD2 HIS 61 HD2 HIS 61 41.444 -19.167 -16.042 289 HE1 HIS 61 HE1 HIS 61 42.973 -16.427 -18.895 290 HE2 HIS 61 HE2 HIS 61 43.059 -18.796 -18.035 291 H TYR 62 HN TYR 62 41.232 -16.706 -11.384 292 HA TYR 62 HA TYR 62 43.123 -16.520 -10.134 293 HB2 TYR 62 HB2 TYR 62 43.756 -18.651 -11.328 294 HB3 TYR 62 HB1 TYR 62 44.623 -17.669 -12.498 295 HD1 TYR 62 HD1 TYR 62 44.502 -18.571 -8.894 296 HD2 TYR 62 HD2 TYR 62 46.832 -16.991 -12.085 297 HE1 TYR 62 HE1 TYR 62 46.510 -18.686 -7.477 298 HE2 TYR 62 HE2 TYR 62 48.841 -17.097 -10.677 299 HH TYR 62 HH TYR 62 48.952 -18.826 -7.749 300 H ALA 63 HN ALA 63 42.390 -14.792 -12.741 301 HA ALA 63 HA ALA 63 42.999 -12.844 -13.696 302 HB1 ALA 63 HB1 ALA 63 43.062 -12.050 -11.375 303 HB2 ALA 63 HB2 ALA 63 44.243 -11.225 -12.392 304 HB3 ALA 63 HB3 ALA 63 44.768 -12.490 -11.280 305 H ARG 64 HN ARG 64 46.132 -13.438 -12.175 306 HA ARG 64 HA ARG 64 47.368 -14.492 -14.495 307 HB2 ARG 64 HB2 ARG 64 47.220 -12.312 -15.439 308 HB3 ARG 64 HB1 ARG 64 47.715 -11.547 -13.938 309 HG2 ARG 64 HG2 ARG 64 49.456 -11.513 -15.674 310 HG3 ARG 64 HG1 ARG 64 49.960 -12.338 -14.202 311 HD2 ARG 64 HD2 ARG 64 49.144 -14.472 -15.477 312 HD3 ARG 64 HD1 ARG 64 49.364 -13.455 -16.903 313 HE ARG 64 HE ARG 64 51.630 -13.362 -15.171 314 HH11 ARG 64 HH11 ARG 64 50.073 -15.318 -17.632 315 HH12 ARG 64 HH12 ARG 64 51.551 -16.090 -18.132 316 HH21 ARG 64 HH21 ARG 64 53.566 -14.387 -15.803 317 HH22 ARG 64 HH22 ARG 64 53.532 -15.597 -17.063 318 H ASP 65 HN ASP 65 48.761 -12.128 -12.243 319 HA ASP 65 HA ASP 65 49.542 -13.836 -10.206 320 HB2 ASP 65 HB2 ASP 65 51.837 -14.376 -10.624 321 HB3 ASP 65 HB1 ASP 65 50.926 -14.916 -12.025 322 H GLY 66 HN GLY 66 50.595 -11.131 -12.218 323 HA2 GLY 66 HA2 GLY 66 51.527 -9.719 -9.827 324 HA3 GLY 66 HA1 GLY 66 51.826 -9.244 -11.493 325 H SER 67 HN SER 67 48.868 -9.952 -9.640 326 HA SER 67 HA SER 67 47.633 -7.573 -10.743 327 HB2 SER 67 HB2 SER 67 45.635 -8.413 -9.392 328 HB3 SER 67 HB1 SER 67 46.194 -9.472 -10.687 329 HG SER 67 HG SER 67 46.900 -9.713 -7.946 330 H THR 68 HN THR 68 48.171 -5.714 -9.818 331 HA THR 68 HA THR 68 48.808 -5.652 -6.963 332 HB THR 68 HB THR 68 50.468 -4.687 -8.493 333 HG1 THR 68 HG1 THR 68 49.099 -2.943 -6.720 334 HG21 THR 68 HG21 THR 68 48.979 -3.954 -10.282 335 HG22 THR 68 HG22 THR 68 49.988 -2.620 -9.721 336 HG23 THR 68 HG23 THR 68 48.300 -2.717 -9.221 337 H ALA 69 HN ALA 69 46.083 -5.597 -8.462 338 HA ALA 69 HA ALA 69 43.995 -4.866 -7.971 339 HB1 ALA 69 HB1 ALA 69 43.552 -3.737 -5.864 340 HB2 ALA 69 HB2 ALA 69 45.274 -3.421 -5.652 341 HB3 ALA 69 HB3 ALA 69 44.670 -5.078 -5.621 342 H SER 70 HN SER 70 45.954 -3.327 -9.629 343 HA SER 70 HA SER 70 45.063 -0.591 -9.389 344 HB2 SER 70 HB2 SER 70 47.337 -1.137 -10.249 345 HB3 SER 70 HB1 SER 70 46.598 -1.930 -11.638 346 HG SER 70 HG SER 70 46.097 -0.039 -12.490 347 H ASP 71 HN ASP 71 42.813 -0.912 -9.496 348 HA ASP 71 HA ASP 71 41.697 -2.066 -11.909 349 HB2 ASP 71 HB2 ASP 71 40.573 -2.661 -9.887 350 HB3 ASP 71 HB1 ASP 71 40.431 -0.976 -9.397 351 H ALA 72 HN ALA 72 40.270 0.719 -10.339 352 HA ALA 72 HA ALA 72 39.476 2.685 -11.153 353 HB1 ALA 72 HB1 ALA 72 41.023 4.029 -12.504 354 HB2 ALA 72 HB2 ALA 72 42.033 2.606 -12.760 355 HB3 ALA 72 HB3 ALA 72 41.843 3.276 -11.138 356 H GLY 73 HN GLY 73 38.621 0.229 -12.464 357 HA2 GLY 73 HA2 GLY 73 37.714 1.387 -14.980 358 HA3 GLY 73 HA1 GLY 73 38.697 -0.061 -15.113 359 H GLU 74 HN GLU 74 37.824 -1.722 -13.196 360 HA GLU 74 HA GLU 74 35.113 -2.243 -14.177 361 HB2 GLU 74 HB2 GLU 74 36.873 -3.986 -14.478 362 HB3 GLU 74 HB1 GLU 74 36.988 -4.126 -12.730 363 HG2 GLU 74 HG2 GLU 74 35.627 -5.900 -13.688 364 HG3 GLU 74 HG1 GLU 74 34.681 -4.870 -12.615 365 H THR 75 HN THR 75 34.527 -0.448 -12.659 366 HA THR 75 HA THR 75 34.311 -0.688 -9.939 367 HB THR 75 HB THR 75 32.222 0.651 -10.165 368 HG1 THR 75 HG1 THR 75 31.575 -0.397 -12.179 369 HG21 THR 75 HG21 THR 75 33.287 2.584 -11.230 370 HG22 THR 75 HG22 THR 75 34.509 1.527 -11.940 371 HG23 THR 75 HG23 THR 75 34.426 1.730 -10.189 372 H HIS 76 HN HIS 76 33.829 -2.563 -8.997 373 HA HIS 76 HA HIS 76 31.720 -4.274 -10.073 374 HB2 HIS 76 HB2 HIS 76 32.540 -5.973 -8.547 375 HB3 HIS 76 HB1 HIS 76 33.908 -5.256 -9.388 376 HD1 HIS 76 HD1 HIS 76 33.597 -6.638 -6.371 377 HD2 HIS 76 HD2 HIS 76 34.445 -2.709 -7.423 378 HE1 HIS 76 HE1 HIS 76 34.741 -5.628 -4.371 379 HE2 HIS 76 HE2 HIS 76 35.481 -3.347 -5.152 380 H PHE 77 HN PHE 77 31.931 -1.760 -7.970 381 HA PHE 77 HA PHE 77 29.421 -2.575 -6.686 382 HB2 PHE 77 HB2 PHE 77 31.139 -2.683 -4.975 383 HB3 PHE 77 HB1 PHE 77 31.737 -1.090 -5.421 384 HD1 PHE 77 HD1 PHE 77 31.176 0.631 -4.027 385 HD2 PHE 77 HD2 PHE 77 28.503 -2.659 -4.398 386 HE1 PHE 77 HE1 PHE 77 29.681 1.665 -2.371 387 HE2 PHE 77 HE2 PHE 77 27.004 -1.630 -2.742 388 HZ PHE 77 HZ PHE 77 27.591 0.534 -1.726 389 H ARG 78 HN ARG 78 27.834 -1.041 -6.736 390 HA ARG 78 HA ARG 78 28.569 1.726 -7.150 391 HB2 ARG 78 HB2 ARG 78 26.889 2.011 -8.984 392 HB3 ARG 78 HB1 ARG 78 28.303 1.073 -9.437 393 HG2 ARG 78 HG2 ARG 78 26.928 -0.988 -8.988 394 HG3 ARG 78 HG1 ARG 78 25.529 0.082 -8.866 395 HD2 ARG 78 HD2 ARG 78 27.362 -0.096 -11.253 396 HD3 ARG 78 HD1 ARG 78 25.813 -0.924 -11.115 397 HE ARG 78 HE ARG 78 25.084 1.613 -10.694 398 HH11 ARG 78 HH11 ARG 78 27.189 0.212 -13.135 399 HH12 ARG 78 HH12 ARG 78 26.738 1.373 -14.355 400 HH21 ARG 78 HH21 ARG 78 24.535 3.152 -12.279 401 HH22 ARG 78 HH22 ARG 78 25.247 3.041 -13.865 402 H LEU 79 HN LEU 79 27.546 2.815 -5.638 403 HA LEU 79 HA LEU 79 24.868 1.921 -4.821 404 HB2 LEU 79 HB2 LEU 79 26.670 2.143 -3.067 405 HB3 LEU 79 HB1 LEU 79 26.723 3.856 -3.416 406 HG LEU 79 HG LEU 79 25.427 3.162 -1.350 407 HD11 LEU 79 HD11 LEU 79 23.626 4.781 -1.720 408 HD12 LEU 79 HD12 LEU 79 23.971 4.762 -3.451 409 HD13 LEU 79 HD13 LEU 79 25.176 5.378 -2.317 410 HD21 LEU 79 HD21 LEU 79 24.307 1.215 -2.292 411 HD22 LEU 79 HD22 LEU 79 23.431 2.254 -3.416 412 HD23 LEU 79 HD23 LEU 79 23.135 2.385 -1.682 413 H GLU 80 HN GLU 80 23.270 2.995 -5.757 414 HA GLU 80 HA GLU 80 23.735 5.813 -6.487 415 HB2 GLU 80 HB2 GLU 80 22.183 3.729 -8.041 416 HB3 GLU 80 HB1 GLU 80 22.324 5.428 -8.476 417 HG2 GLU 80 HG2 GLU 80 24.584 5.229 -9.011 418 HG3 GLU 80 HG1 GLU 80 24.748 3.701 -8.147 419 H VAL 81 HN VAL 81 22.474 7.096 -5.357 420 HA VAL 81 HA VAL 81 19.854 6.091 -4.497 421 HB VAL 81 HB VAL 81 20.128 8.103 -2.798 422 HG11 VAL 81 HG11 VAL 81 21.083 6.512 -1.171 423 HG12 VAL 81 HG12 VAL 81 21.477 5.423 -2.502 424 HG13 VAL 81 HG13 VAL 81 19.793 5.801 -2.140 425 HG21 VAL 81 HG21 VAL 81 22.978 7.320 -3.405 426 HG22 VAL 81 HG22 VAL 81 22.459 8.278 -2.019 427 HG23 VAL 81 HG23 VAL 81 22.250 8.908 -3.652 428 H THR 82 HN THR 82 18.277 6.868 -5.598 429 HA THR 82 HA THR 82 18.421 9.569 -6.721 430 HB THR 82 HB THR 82 17.179 7.079 -7.912 431 HG1 THR 82 HG1 THR 82 19.604 7.791 -8.021 432 HG21 THR 82 HG21 THR 82 17.195 9.905 -8.982 433 HG22 THR 82 HG22 THR 82 15.783 9.033 -8.381 434 HG23 THR 82 HG23 THR 82 16.607 8.480 -9.839 435 H SER 83 HN SER 83 17.035 10.835 -5.660 436 HA SER 83 HA SER 83 14.559 9.687 -4.615 437 HB2 SER 83 HB2 SER 83 15.731 12.450 -4.219 438 HB3 SER 83 HB1 SER 83 14.311 11.802 -3.398 439 HG SER 83 HG SER 83 15.857 11.358 -1.981 440 H ASP 84 HN ASP 84 13.094 9.517 -6.179 441 HA ASP 84 HA ASP 84 11.337 10.166 -7.445 442 HB2 ASP 84 HB2 ASP 84 12.197 13.004 -6.862 443 HB3 ASP 84 HB1 ASP 84 10.641 12.501 -7.512 444 H ALA 85 HN ALA 85 14.474 10.715 -8.259 445 HA ALA 85 HA ALA 85 15.599 10.897 -10.220 446 HB1 ALA 85 HB1 ALA 85 13.950 9.267 -11.051 447 HB2 ALA 85 HB2 ALA 85 14.486 10.384 -12.305 448 HB3 ALA 85 HB3 ALA 85 12.906 10.599 -11.551 449 H PHE 86 HN PHE 86 15.083 13.201 -8.906 450 HA PHE 86 HA PHE 86 15.005 15.149 -11.053 451 HB2 PHE 86 HB2 PHE 86 13.220 15.337 -8.607 452 HB3 PHE 86 HB1 PHE 86 13.557 16.683 -9.686 453 HD1 PHE 86 HD1 PHE 86 13.119 16.035 -12.271 454 HD2 PHE 86 HD2 PHE 86 11.228 14.275 -8.893 455 HE1 PHE 86 HE1 PHE 86 11.216 15.380 -13.683 456 HE2 PHE 86 HE2 PHE 86 9.321 13.610 -10.298 457 HZ PHE 86 HZ PHE 86 9.314 14.162 -12.699 458 H LYS 87 HN LYS 87 16.354 16.862 -10.630 459 HA LYS 87 HA LYS 87 18.145 16.343 -8.377 460 HB2 LYS 87 HB2 LYS 87 18.836 16.370 -10.872 461 HB3 LYS 87 HB1 LYS 87 18.757 18.118 -10.714 462 HG2 LYS 87 HG2 LYS 87 20.576 18.215 -9.344 463 HG3 LYS 87 HG1 LYS 87 20.346 16.569 -8.737 464 HD2 LYS 87 HD2 LYS 87 21.018 15.662 -10.873 465 HD3 LYS 87 HD1 LYS 87 21.201 17.294 -11.534 466 HE2 LYS 87 HE2 LYS 87 22.905 17.714 -9.725 467 HE3 LYS 87 HE1 LYS 87 22.838 15.989 -9.367 468 HZ1 LYS 87 HZ1 LYS 87 23.594 17.192 -11.977 469 HZ2 LYS 87 HZ2 LYS 87 23.524 15.530 -11.646 470 HZ3 LYS 87 HZ3 LYS 87 24.663 16.505 -10.853 471 H GLY 88 HN GLY 88 18.897 18.012 -7.041 472 HA2 GLY 88 HA2 GLY 88 18.085 20.720 -7.370 473 HA3 GLY 88 HA1 GLY 88 17.037 19.897 -6.223 474 H LEU 89 HN LEU 89 18.755 18.280 -4.877 475 HA LEU 89 HA LEU 89 20.276 20.277 -3.383 476 HB2 LEU 89 HB2 LEU 89 19.515 17.446 -2.663 477 HB3 LEU 89 HB1 LEU 89 20.360 18.566 -1.611 478 HG LEU 89 HG LEU 89 17.538 18.869 -2.636 479 HD11 LEU 89 HD11 LEU 89 17.770 17.180 -0.896 480 HD12 LEU 89 HD12 LEU 89 16.908 18.597 -0.299 481 HD13 LEU 89 HD13 LEU 89 18.598 18.346 0.135 482 HD21 LEU 89 HD21 LEU 89 17.437 20.831 -1.159 483 HD22 LEU 89 HD22 LEU 89 18.598 21.039 -2.468 484 HD23 LEU 89 HD23 LEU 89 19.164 20.665 -0.840 485 H THR 90 HN THR 90 22.411 19.739 -2.547 486 HA THR 90 HA THR 90 24.179 18.880 -4.542 487 HB THR 90 HB THR 90 24.911 20.413 -2.792 488 HG1 THR 90 HG1 THR 90 26.833 19.640 -3.153 489 HG21 THR 90 HG21 THR 90 23.659 19.511 -0.904 490 HG22 THR 90 HG22 THR 90 25.375 19.613 -0.512 491 HG23 THR 90 HG23 THR 90 24.654 18.056 -0.919 492 H LEU 91 HN LEU 91 25.197 16.992 -4.946 493 HA LEU 91 HA LEU 91 23.784 14.646 -4.171 494 HB2 LEU 91 HB2 LEU 91 25.156 13.474 -5.718 495 HB3 LEU 91 HB1 LEU 91 24.762 15.025 -6.430 496 HG LEU 91 HG LEU 91 27.387 14.540 -5.032 497 HD11 LEU 91 HD11 LEU 91 28.347 14.142 -7.259 498 HD12 LEU 91 HD12 LEU 91 26.720 14.112 -7.939 499 HD13 LEU 91 HD13 LEU 91 27.215 12.879 -6.778 500 HD21 LEU 91 HD21 LEU 91 28.132 16.403 -6.437 501 HD22 LEU 91 HD22 LEU 91 26.782 16.872 -5.404 502 HD23 LEU 91 HD23 LEU 91 26.510 16.541 -7.115 503 H VAL 92 HN VAL 92 26.700 16.175 -3.051 504 HA VAL 92 HA VAL 92 28.149 13.873 -2.317 505 HB VAL 92 HB VAL 92 29.586 15.369 -1.009 506 HG11 VAL 92 HG11 VAL 92 29.944 15.188 -3.398 507 HG12 VAL 92 HG12 VAL 92 30.271 16.836 -2.862 508 HG13 VAL 92 HG13 VAL 92 28.763 16.462 -3.697 509 HG21 VAL 92 HG21 VAL 92 27.887 16.841 -0.068 510 HG22 VAL 92 HG22 VAL 92 27.547 17.492 -1.672 511 HG23 VAL 92 HG23 VAL 92 29.117 17.775 -0.921 512 H LYS 93 HN LYS 93 25.683 15.667 -0.634 513 HA LYS 93 HA LYS 93 26.337 14.909 1.996 514 HB2 LYS 93 HB2 LYS 93 24.817 16.765 1.452 515 HB3 LYS 93 HB1 LYS 93 23.630 15.617 0.851 516 HG2 LYS 93 HG2 LYS 93 23.398 14.665 3.080 517 HG3 LYS 93 HG1 LYS 93 24.628 15.773 3.691 518 HD2 LYS 93 HD2 LYS 93 23.201 17.673 3.055 519 HD3 LYS 93 HD1 LYS 93 21.962 16.543 2.503 520 HE2 LYS 93 HE2 LYS 93 21.427 17.361 4.726 521 HE3 LYS 93 HE1 LYS 93 21.797 15.638 4.780 522 HZ1 LYS 93 HZ1 LYS 93 22.821 16.910 6.597 523 HZ2 LYS 93 HZ2 LYS 93 23.725 17.795 5.471 524 HZ3 LYS 93 HZ3 LYS 93 23.973 16.125 5.634 525 H ARG 94 HN ARG 94 24.543 13.285 -0.526 526 HA ARG 94 HA ARG 94 23.123 11.464 1.088 527 HB2 ARG 94 HB2 ARG 94 23.369 11.994 -1.652 528 HB3 ARG 94 HB1 ARG 94 23.858 10.317 -1.456 529 HG2 ARG 94 HG2 ARG 94 21.681 9.867 -1.600 530 HG3 ARG 94 HG1 ARG 94 21.601 10.423 0.072 531 HD2 ARG 94 HD2 ARG 94 21.178 12.153 -2.361 532 HD3 ARG 94 HD1 ARG 94 19.894 11.465 -1.372 533 HE ARG 94 HE ARG 94 20.623 12.878 0.442 534 HH11 ARG 94 HH11 ARG 94 22.021 13.601 -2.679 535 HH12 ARG 94 HH12 ARG 94 22.369 15.259 -2.286 536 HH21 ARG 94 HH21 ARG 94 21.053 15.047 0.963 537 HH22 ARG 94 HH22 ARG 94 21.797 16.095 -0.215 538 H HIS 95 HN HIS 95 26.348 11.360 -0.315 539 HA HIS 95 HA HIS 95 26.805 8.600 0.255 540 HB2 HIS 95 HB2 HIS 95 28.698 10.858 -0.407 541 HB3 HIS 95 HB1 HIS 95 29.229 9.201 -0.153 542 HD1 HIS 95 HD1 HIS 95 29.034 11.184 -2.847 543 HD2 HIS 95 HD2 HIS 95 27.068 7.619 -1.986 544 HE1 HIS 95 HE1 HIS 95 28.373 10.220 -5.071 545 HE2 HIS 95 HE2 HIS 95 27.439 7.950 -4.524 546 H GLN 96 HN GLN 96 27.217 11.570 2.003 547 HA GLN 96 HA GLN 96 28.991 10.543 3.990 548 HB2 GLN 96 HB2 GLN 96 28.824 12.940 3.412 549 HB3 GLN 96 HB1 GLN 96 27.188 12.969 4.053 550 HG2 GLN 96 HG2 GLN 96 28.050 12.424 6.275 551 HG3 GLN 96 HG1 GLN 96 29.691 12.407 5.628 552 HE21 GLN 96 HE21 GLN 96 30.369 14.065 6.964 553 HE22 GLN 96 HE22 GLN 96 29.865 15.707 6.730 554 H LEU 97 HN LEU 97 25.523 10.784 3.627 555 HA LEU 97 HA LEU 97 24.758 10.402 6.298 556 HB2 LEU 97 HB2 LEU 97 23.292 9.603 3.786 557 HB3 LEU 97 HB1 LEU 97 22.578 9.723 5.381 558 HG LEU 97 HG LEU 97 23.739 12.022 3.810 559 HD11 LEU 97 HD11 LEU 97 20.875 11.288 4.400 560 HD12 LEU 97 HD12 LEU 97 21.673 11.176 2.832 561 HD13 LEU 97 HD13 LEU 97 21.421 12.751 3.581 562 HD21 LEU 97 HD21 LEU 97 23.981 12.354 6.203 563 HD22 LEU 97 HD22 LEU 97 22.279 11.964 6.448 564 HD23 LEU 97 HD23 LEU 97 22.730 13.419 5.559 565 H ILE 98 HN ILE 98 25.198 8.039 3.681 566 HA ILE 98 HA ILE 98 24.618 5.892 5.583 567 HB ILE 98 HB ILE 98 24.496 4.425 3.583 568 HG12 ILE 98 HG12 ILE 98 24.757 7.030 2.063 569 HG13 ILE 98 HG11 ILE 98 25.972 5.757 2.114 570 HG21 ILE 98 HG21 ILE 98 22.348 5.304 2.795 571 HG22 ILE 98 HG22 ILE 98 22.713 6.857 3.549 572 HG23 ILE 98 HG23 ILE 98 22.496 5.421 4.549 573 HD11 ILE 98 HD11 ILE 98 24.423 4.232 1.013 574 HD12 ILE 98 HD12 ILE 98 24.691 5.686 0.054 575 HD13 ILE 98 HD13 ILE 98 23.199 5.501 0.975 576 H TYR 99 HN TYR 99 27.242 7.305 3.880 577 HA TYR 99 HA TYR 99 29.389 6.707 3.443 578 HB2 TYR 99 HB2 TYR 99 30.636 5.891 5.479 579 HB3 TYR 99 HB1 TYR 99 29.706 7.364 5.696 580 HD1 TYR 99 HD1 TYR 99 29.847 3.756 6.494 581 HD2 TYR 99 HD2 TYR 99 27.929 7.472 7.285 582 HE1 TYR 99 HE1 TYR 99 28.756 2.768 8.463 583 HE2 TYR 99 HE2 TYR 99 26.832 6.491 9.255 584 HH TYR 99 HH TYR 99 27.733 3.421 10.530 585 H GLY 100 HN GLY 100 27.698 4.821 2.334 586 HA2 GLY 100 HA2 GLY 100 28.774 2.192 3.000 587 HA3 GLY 100 HA1 GLY 100 27.434 2.520 1.914 588 H LEU 101 HN LEU 101 29.859 4.618 1.118 589 HA LEU 101 HA LEU 101 30.718 2.868 -1.083 590 HB2 LEU 101 HB2 LEU 101 29.551 4.988 -1.657 591 HB3 LEU 101 HB1 LEU 101 30.827 5.881 -0.862 592 HG LEU 101 HG LEU 101 32.435 4.895 -2.528 593 HD11 LEU 101 HD11 LEU 101 29.876 4.033 -3.863 594 HD12 LEU 101 HD12 LEU 101 31.125 2.974 -3.208 595 HD13 LEU 101 HD13 LEU 101 31.479 3.999 -4.598 596 HD21 LEU 101 HD21 LEU 101 31.759 6.416 -4.331 597 HD22 LEU 101 HD22 LEU 101 31.614 7.168 -2.743 598 HD23 LEU 101 HD23 LEU 101 30.172 6.590 -3.580 599 H LEU 102 HN LEU 102 32.998 3.010 -1.757 600 HA LEU 102 HA LEU 102 35.211 2.787 -1.320 601 HB2 LEU 102 HB2 LEU 102 34.529 5.148 0.379 602 HB3 LEU 102 HB1 LEU 102 36.098 4.397 0.580 603 HG LEU 102 HG LEU 102 36.533 4.778 -1.849 604 HD11 LEU 102 HD11 LEU 102 34.026 6.445 -1.716 605 HD12 LEU 102 HD12 LEU 102 34.192 4.917 -2.580 606 HD13 LEU 102 HD13 LEU 102 35.134 6.322 -3.083 607 HD21 LEU 102 HD21 LEU 102 36.963 7.171 -1.606 608 HD22 LEU 102 HD22 LEU 102 37.392 6.287 -0.142 609 HD23 LEU 102 HD23 LEU 102 35.898 7.220 -0.202 610 H SER 103 HN SER 103 33.308 1.140 0.020 611 HA SER 103 HA SER 103 34.757 0.537 2.509 612 HB2 SER 103 HB2 SER 103 32.585 -0.444 3.310 613 HB3 SER 103 HB1 SER 103 32.532 1.299 3.046 614 HG SER 103 HG SER 103 30.953 0.932 1.714 615 H ASP 104 HN ASP 104 32.336 -1.257 0.668 616 HA ASP 104 HA ASP 104 33.586 -3.751 1.126 617 HB2 ASP 104 HB2 ASP 104 31.153 -3.435 0.733 618 HB3 ASP 104 HB1 ASP 104 31.502 -3.059 -0.953 619 H GLU 105 HN GLU 105 33.555 -1.593 -1.654 620 HA GLU 105 HA GLU 105 34.647 -3.235 -3.576 621 HB2 GLU 105 HB2 GLU 105 35.072 -1.281 -4.819 622 HB3 GLU 105 HB1 GLU 105 33.694 -0.872 -3.808 623 HG2 GLU 105 HG2 GLU 105 35.447 0.091 -2.189 624 HG3 GLU 105 HG1 GLU 105 36.531 0.005 -3.577 625 H PHE 106 HN PHE 106 36.174 -1.622 -0.902 626 HA PHE 106 HA PHE 106 38.841 -1.711 -1.863 627 HB2 PHE 106 HB2 PHE 106 38.066 -0.140 -0.119 628 HB3 PHE 106 HB1 PHE 106 37.820 -1.492 0.978 629 HD1 PHE 106 HD1 PHE 106 39.592 -2.340 2.266 630 HD2 PHE 106 HD2 PHE 106 40.398 0.369 -0.914 631 HE1 PHE 106 HE1 PHE 106 41.918 -2.126 3.043 632 HE2 PHE 106 HE2 PHE 106 42.724 0.587 -0.144 633 HZ PHE 106 HZ PHE 106 43.487 -0.661 1.836 634 H LYS 107 HN LYS 107 36.795 -3.993 -0.175 635 HA LYS 107 HA LYS 107 38.958 -5.586 0.819 636 HB2 LYS 107 HB2 LYS 107 37.386 -6.918 1.834 637 HB3 LYS 107 HB1 LYS 107 36.466 -5.437 1.656 638 HG2 LYS 107 HG2 LYS 107 35.254 -6.305 -0.188 639 HG3 LYS 107 HG1 LYS 107 36.315 -7.714 -0.293 640 HD2 LYS 107 HD2 LYS 107 35.570 -8.383 1.973 641 HD3 LYS 107 HD1 LYS 107 34.442 -7.032 1.974 642 HE2 LYS 107 HE2 LYS 107 34.438 -9.247 -0.064 643 HE3 LYS 107 HE1 LYS 107 33.431 -9.231 1.383 644 HZ1 LYS 107 HZ1 LYS 107 32.280 -8.415 -0.618 645 HZ2 LYS 107 HZ2 LYS 107 33.379 -7.134 -0.715 646 HZ3 LYS 107 HZ3 LYS 107 32.344 -7.255 0.613 647 H ALA 108 HN ALA 108 37.592 -5.206 -2.217 648 HA ALA 108 HA ALA 108 38.516 -7.870 -3.060 649 HB1 ALA 108 HB1 ALA 108 37.032 -7.652 -4.982 650 HB2 ALA 108 HB2 ALA 108 36.517 -6.066 -4.410 651 HB3 ALA 108 HB3 ALA 108 36.145 -7.507 -3.465 652 H GLY 109 HN GLY 109 38.844 -4.428 -3.556 653 HA2 GLY 109 HA2 GLY 109 40.971 -3.567 -4.224 654 HA3 GLY 109 HA1 GLY 109 41.221 -5.016 -5.180 655 H LEU 110 HN LEU 110 38.179 -4.318 -5.925 656 HA LEU 110 HA LEU 110 38.961 -2.673 -8.231 657 HB2 LEU 110 HB2 LEU 110 36.256 -3.941 -7.929 658 HB3 LEU 110 HB1 LEU 110 37.078 -3.462 -9.394 659 HG LEU 110 HG LEU 110 37.048 -5.794 -9.452 660 HD11 LEU 110 HD11 LEU 110 39.386 -6.494 -9.206 661 HD12 LEU 110 HD12 LEU 110 39.729 -4.995 -8.342 662 HD13 LEU 110 HD13 LEU 110 39.227 -4.944 -10.032 663 HD21 LEU 110 HD21 LEU 110 37.932 -5.783 -6.571 664 HD22 LEU 110 HD22 LEU 110 37.721 -7.224 -7.569 665 HD23 LEU 110 HD23 LEU 110 36.332 -6.206 -7.179 666 H HIS 111 HN HIS 111 37.500 -0.872 -8.849 667 HA HIS 111 HA HIS 111 36.701 0.429 -6.372 668 HB2 HIS 111 HB2 HIS 111 37.783 1.375 -8.906 669 HB3 HIS 111 HB1 HIS 111 36.511 2.398 -8.236 670 HD1 HIS 111 HD1 HIS 111 36.974 2.566 -5.371 671 HD2 HIS 111 HD2 HIS 111 40.177 2.280 -8.025 672 HE1 HIS 111 HE1 HIS 111 38.974 3.468 -4.135 673 HE2 HIS 111 HE2 HIS 111 40.927 3.117 -5.687 674 H ALA 112 HN ALA 112 35.060 2.406 -7.266 675 HA ALA 112 HA ALA 112 32.663 1.084 -8.259 676 HB1 ALA 112 HB1 ALA 112 31.369 1.741 -6.296 677 HB2 ALA 112 HB2 ALA 112 32.828 2.376 -5.535 678 HB3 ALA 112 HB3 ALA 112 32.678 0.646 -5.850 679 H LEU 113 HN LEU 113 31.140 2.515 -9.070 680 HA LEU 113 HA LEU 113 31.741 5.374 -8.799 681 HB2 LEU 113 HB2 LEU 113 30.749 5.694 -11.078 682 HB3 LEU 113 HB1 LEU 113 32.296 4.880 -11.050 683 HG LEU 113 HG LEU 113 30.854 2.702 -11.186 684 HD11 LEU 113 HD11 LEU 113 28.684 3.779 -10.881 685 HD12 LEU 113 HD12 LEU 113 28.786 2.984 -12.451 686 HD13 LEU 113 HD13 LEU 113 28.948 4.736 -12.337 687 HD21 LEU 113 HD21 LEU 113 31.176 4.552 -13.547 688 HD22 LEU 113 HD22 LEU 113 30.970 2.802 -13.618 689 HD23 LEU 113 HD23 LEU 113 32.421 3.491 -12.890 690 H SER 114 HN SER 114 30.047 6.680 -8.268 691 HA SER 114 HA SER 114 27.457 5.343 -7.961 692 HB2 SER 114 HB2 SER 114 27.232 6.551 -5.760 693 HB3 SER 114 HB1 SER 114 28.441 5.268 -5.790 694 HG SER 114 HG SER 114 30.048 6.795 -5.914 695 H MET 115 HN MET 115 25.734 6.473 -8.607 696 HA MET 115 HA MET 115 26.076 9.362 -9.071 697 HB2 MET 115 HB2 MET 115 24.296 7.406 -10.542 698 HB3 MET 115 HB1 MET 115 24.310 9.143 -10.803 699 HG2 MET 115 HG2 MET 115 26.676 8.989 -11.484 700 HG3 MET 115 HG1 MET 115 26.582 7.237 -11.315 701 HE1 MET 115 HE1 MET 115 24.993 5.696 -12.840 702 HE2 MET 115 HE2 MET 115 23.901 6.356 -14.058 703 HE3 MET 115 HE3 MET 115 23.622 6.694 -12.350 704 H THR 116 HN THR 116 24.898 10.602 -7.765 705 HA THR 116 HA THR 116 22.444 9.460 -6.630 706 HB THR 116 HB THR 116 23.962 9.312 -4.835 707 HG1 THR 116 HG1 THR 116 21.867 10.514 -4.513 708 HG21 THR 116 HG21 THR 116 25.346 11.185 -4.052 709 HG22 THR 116 HG22 THR 116 24.786 12.158 -5.413 710 HG23 THR 116 HG23 THR 116 25.757 10.712 -5.702 711 H THR 117 HN THR 117 20.769 10.579 -7.195 712 HA THR 117 HA THR 117 20.964 13.505 -7.176 713 HB THR 117 HB THR 117 20.629 12.763 -9.472 714 HG1 THR 117 HG1 THR 117 18.724 13.959 -9.880 715 HG21 THR 117 HG21 THR 117 18.131 11.404 -8.465 716 HG22 THR 117 HG22 THR 117 19.586 10.597 -9.049 717 HG23 THR 117 HG23 THR 117 18.609 11.565 -10.155 718 H LYS 118 HN LYS 118 19.537 14.541 -5.885 719 HA LYS 118 HA LYS 118 17.290 13.007 -4.783 720 HB2 LYS 118 HB2 LYS 118 19.114 13.062 -3.099 721 HB3 LYS 118 HB1 LYS 118 19.103 14.821 -3.161 722 HG2 LYS 118 HG2 LYS 118 16.597 14.581 -2.545 723 HG3 LYS 118 HG1 LYS 118 17.057 12.959 -2.024 724 HD2 LYS 118 HD2 LYS 118 18.763 13.945 -0.551 725 HD3 LYS 118 HD1 LYS 118 18.251 15.556 -1.057 726 HE2 LYS 118 HE2 LYS 118 16.654 13.513 0.478 727 HE3 LYS 118 HE1 LYS 118 17.217 15.085 1.043 728 HZ1 LYS 118 HZ1 LYS 118 15.774 16.005 -0.849 729 HZ2 LYS 118 HZ2 LYS 118 14.993 15.434 0.541 730 HZ3 LYS 118 HZ3 LYS 118 15.033 14.478 -0.859 731 H THR 119 HN THR 119 15.419 14.119 -4.586 732 HA THR 119 HA THR 119 15.052 16.592 -5.868 733 HB THR 119 HB THR 119 12.822 16.427 -4.418 734 HG1 THR 119 HG1 THR 119 12.628 13.886 -4.357 735 HG21 THR 119 HG21 THR 119 12.938 16.229 -6.843 736 HG22 THR 119 HG22 THR 119 11.885 14.983 -6.171 737 HG23 THR 119 HG23 THR 119 13.518 14.571 -6.692 738 HA PRO 120 HA PRO 120 16.086 19.432 -2.622 739 HB2 PRO 120 HB2 PRO 120 14.640 21.574 -3.457 740 HB3 PRO 120 HB1 PRO 120 16.142 21.067 -4.239 741 HG2 PRO 120 HG2 PRO 120 13.311 20.548 -5.059 742 HG3 PRO 120 HG1 PRO 120 14.705 20.996 -6.061 743 HD2 PRO 120 HD2 PRO 120 13.798 18.449 -5.867 744 HD3 PRO 120 HD1 PRO 120 15.509 18.842 -6.129 745 H ALA 121 HN ALA 121 15.009 20.772 -0.951 746 HA ALA 121 HA ALA 121 12.682 19.402 0.078 747 HB1 ALA 121 HB1 ALA 121 14.532 20.032 1.564 748 HB2 ALA 121 HB2 ALA 121 13.008 20.768 2.067 749 HB3 ALA 121 HB3 ALA 121 14.216 21.733 1.219 750 H GLU 122 HN GLU 122 13.023 21.704 -2.151 751 HA GLU 122 HA GLU 122 10.670 23.237 -1.316 752 HB2 GLU 122 HB2 GLU 122 12.661 24.570 -1.824 753 HB3 GLU 122 HB1 GLU 122 12.757 23.841 -3.420 754 HG2 GLU 122 HG2 GLU 122 10.654 24.871 -4.044 755 HG3 GLU 122 HG1 GLU 122 10.497 25.559 -2.427 756 H GLN 123 HN GLN 123 9.040 21.889 -1.919 757 HA GLN 123 HA GLN 123 8.970 20.947 -4.689 758 HB2 GLN 123 HB2 GLN 123 7.026 19.538 -3.845 759 HB3 GLN 123 HB1 GLN 123 8.619 19.130 -3.224 760 HG2 GLN 123 HG2 GLN 123 8.145 20.228 -1.141 761 HG3 GLN 123 HG1 GLN 123 6.607 20.824 -1.760 762 HE21 GLN 123 HE21 GLN 123 8.354 18.046 -0.614 763 HE22 GLN 123 HE22 GLN 123 6.976 17.027 -0.371 Start of MODEL 6 1 H MET 24 HT3 MET 24 14.554 -2.125 -13.051 2 HA MET 24 HA MET 24 12.931 -3.576 -11.050 3 HB2 MET 24 HB2 MET 24 12.393 -2.761 -13.911 4 HB3 MET 24 HB1 MET 24 11.382 -3.875 -13.002 5 HG2 MET 24 HG2 MET 24 10.815 -2.150 -11.426 6 HG3 MET 24 HG1 MET 24 11.938 -1.031 -12.194 7 HE1 MET 24 HE1 MET 24 8.128 -2.617 -14.275 8 HE2 MET 24 HE2 MET 24 8.645 -3.134 -12.674 9 HE3 MET 24 HE3 MET 24 9.597 -3.578 -14.093 10 H ALA 25 HN ALA 25 14.762 -4.977 -10.818 11 HA ALA 25 HA ALA 25 14.541 -7.336 -12.360 12 HB1 ALA 25 HB1 ALA 25 17.062 -5.721 -12.788 13 HB2 ALA 25 HB2 ALA 25 15.857 -6.122 -14.012 14 HB3 ALA 25 HB3 ALA 25 16.833 -7.398 -13.283 15 H GLU 26 HN GLU 26 16.411 -8.896 -11.644 16 HA GLU 26 HA GLU 26 17.366 -8.171 -8.973 17 HB2 GLU 26 HB2 GLU 26 16.809 -10.387 -8.100 18 HB3 GLU 26 HB1 GLU 26 15.372 -9.520 -8.616 19 HG2 GLU 26 HG2 GLU 26 15.239 -10.839 -10.623 20 HG3 GLU 26 HG1 GLU 26 16.761 -11.641 -10.239 21 H HIS 27 HN HIS 27 19.299 -9.004 -8.376 22 HA HIS 27 HA HIS 27 20.669 -10.856 -10.175 23 HB2 HIS 27 HB2 HIS 27 21.307 -8.560 -10.875 24 HB3 HIS 27 HB1 HIS 27 21.838 -8.217 -9.235 25 HD1 HIS 27 HD1 HIS 27 24.238 -8.620 -8.766 26 HD2 HIS 27 HD2 HIS 27 22.941 -10.668 -12.148 27 HE1 HIS 27 HE1 HIS 27 26.301 -9.636 -9.779 28 HE2 HIS 27 HE2 HIS 27 25.523 -10.655 -11.946 29 H GLN 28 HN GLN 28 20.766 -12.503 -8.719 30 HA GLN 28 HA GLN 28 21.053 -11.935 -5.914 31 HB2 GLN 28 HB2 GLN 28 19.548 -13.713 -6.822 32 HB3 GLN 28 HB1 GLN 28 20.980 -14.634 -7.265 33 HG2 GLN 28 HG2 GLN 28 21.628 -14.848 -4.972 34 HG3 GLN 28 HG1 GLN 28 20.342 -13.761 -4.456 35 HE21 GLN 28 HE21 GLN 28 19.923 -16.226 -6.909 36 HE22 GLN 28 HE22 GLN 28 18.866 -17.233 -5.977 37 H LEU 29 HN LEU 29 23.160 -10.919 -6.221 38 HA LEU 29 HA LEU 29 25.174 -12.775 -5.277 39 HB2 LEU 29 HB2 LEU 29 25.531 -11.105 -7.758 40 HB3 LEU 29 HB1 LEU 29 26.903 -11.560 -6.769 41 HG LEU 29 HG LEU 29 25.039 -13.486 -8.167 42 HD11 LEU 29 HD11 LEU 29 26.436 -12.284 -9.742 43 HD12 LEU 29 HD12 LEU 29 26.997 -13.950 -9.583 44 HD13 LEU 29 HD13 LEU 29 27.869 -12.644 -8.778 45 HD21 LEU 29 HD21 LEU 29 25.936 -14.415 -6.102 46 HD22 LEU 29 HD22 LEU 29 27.569 -13.967 -6.595 47 HD23 LEU 29 HD23 LEU 29 26.675 -15.185 -7.504 48 H GLY 30 HN GLY 30 25.140 -11.778 -3.294 49 HA2 GLY 30 HA2 GLY 30 26.353 -9.132 -3.216 50 HA3 GLY 30 HA1 GLY 30 24.735 -9.251 -2.549 51 HA PRO 31 HA PRO 31 27.582 -11.550 0.536 52 HB2 PRO 31 HB2 PRO 31 30.310 -11.400 -0.407 53 HB3 PRO 31 HB1 PRO 31 29.345 -12.841 -0.084 54 HG2 PRO 31 HG2 PRO 31 30.152 -12.080 -2.588 55 HG3 PRO 31 HG1 PRO 31 28.708 -13.056 -2.269 56 HD2 PRO 31 HD2 PRO 31 28.925 -10.120 -2.829 57 HD3 PRO 31 HD1 PRO 31 27.723 -11.294 -3.413 58 H ILE 32 HN ILE 32 27.013 -9.526 1.499 59 HA ILE 32 HA ILE 32 29.129 -7.470 1.447 60 HB ILE 32 HB ILE 32 26.176 -6.945 1.812 61 HG12 ILE 32 HG12 ILE 32 27.747 -6.536 -0.736 62 HG13 ILE 32 HG11 ILE 32 26.774 -7.975 -0.440 63 HG21 ILE 32 HG21 ILE 32 27.643 -5.218 2.677 64 HG22 ILE 32 HG22 ILE 32 26.810 -4.642 1.233 65 HG23 ILE 32 HG23 ILE 32 28.498 -5.145 1.137 66 HD11 ILE 32 HD11 ILE 32 25.746 -5.144 -0.509 67 HD12 ILE 32 HD12 ILE 32 24.781 -6.600 -0.265 68 HD13 ILE 32 HD13 ILE 32 25.598 -6.334 -1.804 69 H ALA 33 HN ALA 33 29.448 -6.279 3.424 70 HA ALA 33 HA ALA 33 28.180 -7.496 5.786 71 HB1 ALA 33 HB1 ALA 33 30.288 -7.521 6.976 72 HB2 ALA 33 HB2 ALA 33 31.115 -6.848 5.572 73 HB3 ALA 33 HB3 ALA 33 30.422 -8.468 5.492 74 H GLY 34 HN GLY 34 30.645 -4.961 5.327 75 HA2 GLY 34 HA2 GLY 34 29.567 -3.321 7.355 76 HA3 GLY 34 HA1 GLY 34 30.752 -2.829 6.160 77 H ALA 35 HN ALA 35 29.201 -3.243 3.841 78 HA ALA 35 HA ALA 35 28.085 -0.669 3.699 79 HB1 ALA 35 HB1 ALA 35 27.632 -2.922 1.759 80 HB2 ALA 35 HB2 ALA 35 29.063 -1.890 1.794 81 HB3 ALA 35 HB3 ALA 35 27.481 -1.195 1.442 82 H ILE 36 HN ILE 36 26.489 -3.826 4.064 83 HA ILE 36 HA ILE 36 23.894 -2.901 3.513 84 HB ILE 36 HB ILE 36 23.060 -4.916 4.726 85 HG12 ILE 36 HG12 ILE 36 25.058 -6.623 5.090 86 HG13 ILE 36 HG11 ILE 36 25.956 -5.147 5.418 87 HG21 ILE 36 HG21 ILE 36 23.535 -4.945 2.350 88 HG22 ILE 36 HG22 ILE 36 23.916 -6.501 3.085 89 HG23 ILE 36 HG23 ILE 36 25.214 -5.379 2.674 90 HD11 ILE 36 HD11 ILE 36 24.355 -4.575 7.176 91 HD12 ILE 36 HD12 ILE 36 25.136 -6.131 7.465 92 HD13 ILE 36 HD13 ILE 36 23.484 -6.076 6.854 93 H LYS 37 HN LYS 37 25.825 -2.645 6.363 94 HA LYS 37 HA LYS 37 23.770 -2.206 8.248 95 HB2 LYS 37 HB2 LYS 37 26.602 -1.141 8.216 96 HB3 LYS 37 HB1 LYS 37 25.539 -1.180 9.617 97 HG2 LYS 37 HG2 LYS 37 25.589 -3.549 9.698 98 HG3 LYS 37 HG1 LYS 37 26.379 -3.649 8.122 99 HD2 LYS 37 HD2 LYS 37 28.370 -2.591 9.040 100 HD3 LYS 37 HD1 LYS 37 27.575 -2.426 10.607 101 HE2 LYS 37 HE2 LYS 37 28.129 -5.046 9.222 102 HE3 LYS 37 HE1 LYS 37 29.137 -4.346 10.490 103 HZ1 LYS 37 HZ1 LYS 37 26.301 -5.198 10.754 104 HZ2 LYS 37 HZ2 LYS 37 27.186 -4.406 11.961 105 HZ3 LYS 37 HZ3 LYS 37 27.655 -5.947 11.445 106 H SER 38 HN SER 38 25.578 -0.058 6.107 107 HA SER 38 HA SER 38 24.564 2.372 7.100 108 HB2 SER 38 HB2 SER 38 25.620 1.757 4.334 109 HB3 SER 38 HB1 SER 38 25.460 3.358 5.057 110 HG SER 38 HG SER 38 27.470 2.932 5.592 111 H LYS 39 HN LYS 39 23.463 0.266 4.445 112 HA LYS 39 HA LYS 39 21.508 2.043 3.475 113 HB2 LYS 39 HB2 LYS 39 20.622 0.261 2.194 114 HB3 LYS 39 HB1 LYS 39 22.359 0.017 2.255 115 HG2 LYS 39 HG2 LYS 39 22.118 -1.743 3.861 116 HG3 LYS 39 HG1 LYS 39 20.390 -1.420 4.018 117 HD2 LYS 39 HD2 LYS 39 20.101 -2.004 1.632 118 HD3 LYS 39 HD1 LYS 39 21.815 -2.415 1.550 119 HE2 LYS 39 HE2 LYS 39 21.514 -4.172 3.177 120 HE3 LYS 39 HE1 LYS 39 19.828 -3.714 3.410 121 HZ1 LYS 39 HZ1 LYS 39 21.005 -4.763 0.886 122 HZ2 LYS 39 HZ2 LYS 39 19.382 -4.328 1.110 123 HZ3 LYS 39 HZ3 LYS 39 20.034 -5.640 1.967 124 H VAL 40 HN VAL 40 21.475 -0.225 6.127 125 HA VAL 40 HA VAL 40 18.706 -0.313 6.599 126 HB VAL 40 HB VAL 40 20.962 -0.499 8.607 127 HG11 VAL 40 HG11 VAL 40 19.354 -1.693 10.013 128 HG12 VAL 40 HG12 VAL 40 18.083 -1.351 8.839 129 HG13 VAL 40 HG13 VAL 40 18.858 -0.029 9.713 130 HG21 VAL 40 HG21 VAL 40 21.166 -2.170 6.875 131 HG22 VAL 40 HG22 VAL 40 19.477 -2.632 7.086 132 HG23 VAL 40 HG23 VAL 40 20.640 -2.928 8.379 133 H GLU 41 HN GLU 41 21.206 1.938 7.701 134 HA GLU 41 HA GLU 41 19.609 3.472 9.429 135 HB2 GLU 41 HB2 GLU 41 21.988 4.374 7.794 136 HB3 GLU 41 HB1 GLU 41 21.332 5.199 9.201 137 HG2 GLU 41 HG2 GLU 41 22.652 2.496 9.141 138 HG3 GLU 41 HG1 GLU 41 23.301 3.983 9.830 139 H ALA 42 HN ALA 42 20.105 3.591 5.964 140 HA ALA 42 HA ALA 42 18.896 6.085 5.454 141 HB1 ALA 42 HB1 ALA 42 20.321 4.911 3.835 142 HB2 ALA 42 HB2 ALA 42 18.762 5.357 3.145 143 HB3 ALA 42 HB3 ALA 42 19.066 3.690 3.631 144 H ALA 43 HN ALA 43 17.563 2.957 6.134 145 HA ALA 43 HA ALA 43 15.055 3.209 4.887 146 HB1 ALA 43 HB1 ALA 43 15.936 1.072 5.656 147 HB2 ALA 43 HB2 ALA 43 14.338 1.383 6.335 148 HB3 ALA 43 HB3 ALA 43 15.778 1.601 7.331 149 H LEU 44 HN LEU 44 16.280 4.614 7.789 150 HA LEU 44 HA LEU 44 13.814 5.109 9.093 151 HB2 LEU 44 HB2 LEU 44 16.522 6.396 9.270 152 HB3 LEU 44 HB1 LEU 44 15.159 7.016 10.179 153 HG LEU 44 HG LEU 44 16.435 5.630 11.634 154 HD11 LEU 44 HD11 LEU 44 14.049 5.445 11.917 155 HD12 LEU 44 HD12 LEU 44 14.815 3.890 12.243 156 HD13 LEU 44 HD13 LEU 44 13.976 4.157 10.715 157 HD21 LEU 44 HD21 LEU 44 16.210 3.462 9.552 158 HD22 LEU 44 HD22 LEU 44 16.883 3.262 11.169 159 HD23 LEU 44 HD23 LEU 44 17.675 4.330 10.010 160 H SER 45 HN SER 45 15.341 6.512 6.368 161 HA SER 45 HA SER 45 13.631 8.891 6.473 162 HB2 SER 45 HB2 SER 45 15.824 8.134 4.526 163 HB3 SER 45 HB1 SER 45 14.972 9.676 4.571 164 HG SER 45 HG SER 45 16.510 8.628 6.727 165 HA PRO 46 HA PRO 46 10.856 7.143 3.419 166 HB2 PRO 46 HB2 PRO 46 10.407 9.839 2.370 167 HB3 PRO 46 HB1 PRO 46 9.281 8.769 3.210 168 HG2 PRO 46 HG2 PRO 46 10.262 11.025 4.339 169 HG3 PRO 46 HG1 PRO 46 9.844 9.584 5.282 170 HD2 PRO 46 HD2 PRO 46 12.534 10.553 4.392 171 HD3 PRO 46 HD1 PRO 46 12.049 9.829 5.941 172 H THR 47 HN THR 47 12.317 6.089 2.057 173 HA THR 47 HA THR 47 12.801 7.206 -0.501 174 HB THR 47 HB THR 47 14.552 8.406 0.839 175 HG1 THR 47 HG1 THR 47 15.449 8.362 -1.064 176 HG21 THR 47 HG21 THR 47 15.026 6.620 2.463 177 HG22 THR 47 HG22 THR 47 16.490 7.183 1.656 178 HG23 THR 47 HG23 THR 47 15.750 5.656 1.176 179 H HIS 48 HN HIS 48 14.533 5.653 -1.648 180 HA HIS 48 HA HIS 48 14.161 2.929 -0.607 181 HB2 HIS 48 HB2 HIS 48 12.567 3.320 -2.466 182 HB3 HIS 48 HB1 HIS 48 13.920 3.728 -3.517 183 HD1 HIS 48 HD1 HIS 48 12.953 0.763 -1.310 184 HD2 HIS 48 HD2 HIS 48 14.704 1.605 -4.990 185 HE1 HIS 48 HE1 HIS 48 13.443 -1.470 -2.356 186 HE2 HIS 48 HE2 HIS 48 14.341 -0.938 -4.649 187 H PHE 49 HN PHE 49 15.989 1.845 -0.442 188 HA PHE 49 HA PHE 49 18.385 3.052 -1.618 189 HB2 PHE 49 HB2 PHE 49 19.578 1.672 0.166 190 HB3 PHE 49 HB1 PHE 49 18.614 3.032 0.727 191 HD1 PHE 49 HD1 PHE 49 18.875 -0.621 0.587 192 HD2 PHE 49 HD2 PHE 49 16.607 2.690 2.007 193 HE1 PHE 49 HE1 PHE 49 17.654 -2.114 2.111 194 HE2 PHE 49 HE2 PHE 49 15.385 1.198 3.535 195 HZ PHE 49 HZ PHE 49 15.907 -1.207 3.588 196 H LYS 50 HN LYS 50 19.634 1.985 -2.983 197 HA LYS 50 HA LYS 50 19.191 -0.907 -3.377 198 HB2 LYS 50 HB2 LYS 50 18.342 0.326 -5.282 199 HB3 LYS 50 HB1 LYS 50 19.817 1.274 -5.377 200 HG2 LYS 50 HG2 LYS 50 21.000 -0.946 -5.833 201 HG3 LYS 50 HG1 LYS 50 19.383 -1.595 -6.120 202 HD2 LYS 50 HD2 LYS 50 20.593 0.783 -7.533 203 HD3 LYS 50 HD1 LYS 50 20.469 -0.843 -8.201 204 HE2 LYS 50 HE2 LYS 50 18.074 -0.733 -8.186 205 HE3 LYS 50 HE1 LYS 50 18.100 0.787 -7.296 206 HZ1 LYS 50 HZ1 LYS 50 19.188 1.825 -9.217 207 HZ2 LYS 50 HZ2 LYS 50 17.660 1.196 -9.615 208 HZ3 LYS 50 HZ3 LYS 50 19.062 0.366 -10.073 209 H LEU 51 HN LEU 51 20.930 -1.938 -2.568 210 HA LEU 51 HA LEU 51 23.585 -0.818 -3.163 211 HB2 LEU 51 HB2 LEU 51 22.826 -0.527 -0.767 212 HB3 LEU 51 HB1 LEU 51 22.836 -2.270 -0.624 213 HG LEU 51 HG LEU 51 25.339 -0.852 -1.458 214 HD11 LEU 51 HD11 LEU 51 24.574 0.346 0.522 215 HD12 LEU 51 HD12 LEU 51 25.974 -0.658 0.901 216 HD13 LEU 51 HD13 LEU 51 24.359 -1.181 1.377 217 HD21 LEU 51 HD21 LEU 51 26.397 -2.740 -0.372 218 HD22 LEU 51 HD22 LEU 51 25.207 -3.312 -1.542 219 HD23 LEU 51 HD23 LEU 51 24.831 -3.331 0.180 220 H ILE 52 HN ILE 52 24.602 -2.173 -4.524 221 HA ILE 52 HA ILE 52 24.407 -5.048 -3.949 222 HB ILE 52 HB ILE 52 24.674 -5.508 -6.398 223 HG12 ILE 52 HG12 ILE 52 23.464 -3.315 -7.584 224 HG13 ILE 52 HG11 ILE 52 24.646 -2.590 -6.503 225 HG21 ILE 52 HG21 ILE 52 22.549 -5.805 -5.273 226 HG22 ILE 52 HG22 ILE 52 22.301 -5.208 -6.914 227 HG23 ILE 52 HG23 ILE 52 22.147 -4.109 -5.543 228 HD11 ILE 52 HD11 ILE 52 25.240 -4.661 -8.600 229 HD12 ILE 52 HD12 ILE 52 26.416 -3.891 -7.534 230 HD13 ILE 52 HD13 ILE 52 25.552 -2.930 -8.736 231 H ASN 53 HN ASN 53 26.325 -5.803 -3.329 232 HA ASN 53 HA ASN 53 28.698 -4.851 -4.797 233 HB2 ASN 53 HB2 ASN 53 28.724 -4.016 -2.449 234 HB3 ASN 53 HB1 ASN 53 28.672 -5.684 -1.882 235 HD21 ASN 53 HD21 ASN 53 30.695 -5.244 -0.809 236 HD22 ASN 53 HD22 ASN 53 32.169 -5.262 -1.708 237 H ASP 54 HN ASP 54 29.497 -6.364 -5.980 238 HA ASP 54 HA ASP 54 28.794 -9.105 -5.766 239 HB2 ASP 54 HB2 ASP 54 29.316 -8.163 -7.921 240 HB3 ASP 54 HB1 ASP 54 30.908 -7.658 -7.373 241 H SER 55 HN SER 55 31.349 -7.166 -4.464 242 HA SER 55 HA SER 55 33.301 -7.587 -3.382 243 HB2 SER 55 HB2 SER 55 31.776 -10.032 -2.449 244 HB3 SER 55 HB1 SER 55 33.218 -9.363 -1.683 245 HG SER 55 HG SER 55 30.653 -8.634 -1.379 246 H HIS 56 HN HIS 56 33.193 -10.954 -3.186 247 HA HIS 56 HA HIS 56 33.625 -12.003 -5.620 248 HB2 HIS 56 HB2 HIS 56 35.970 -12.142 -6.068 249 HB3 HIS 56 HB1 HIS 56 35.596 -10.445 -5.837 250 HD1 HIS 56 HD1 HIS 56 38.402 -12.021 -5.462 251 HD2 HIS 56 HD2 HIS 56 35.910 -10.513 -2.490 252 HE1 HIS 56 HE1 HIS 56 39.879 -11.646 -3.460 253 HE2 HIS 56 HE2 HIS 56 38.314 -10.908 -1.624 254 H LYS 57 HN LYS 57 34.808 -14.196 -5.464 255 HA LYS 57 HA LYS 57 34.404 -15.246 -2.777 256 HB2 LYS 57 HB2 LYS 57 35.020 -16.618 -5.398 257 HB3 LYS 57 HB1 LYS 57 34.861 -17.466 -3.862 258 HG2 LYS 57 HG2 LYS 57 32.566 -16.289 -3.724 259 HG3 LYS 57 HG1 LYS 57 32.776 -16.042 -5.456 260 HD2 LYS 57 HD2 LYS 57 32.890 -18.391 -5.851 261 HD3 LYS 57 HD1 LYS 57 32.965 -18.734 -4.120 262 HE2 LYS 57 HE2 LYS 57 30.636 -17.538 -5.621 263 HE3 LYS 57 HE1 LYS 57 30.729 -19.173 -4.964 264 HZ1 LYS 57 HZ1 LYS 57 30.745 -16.643 -3.392 265 HZ2 LYS 57 HZ2 LYS 57 30.910 -18.196 -2.730 266 HZ3 LYS 57 HZ3 LYS 57 29.466 -17.750 -3.493 267 H HIS 58 HN HIS 58 36.464 -17.377 -3.175 268 HA HIS 58 HA HIS 58 38.636 -15.700 -2.152 269 HB2 HIS 58 HB2 HIS 58 37.649 -17.664 -0.847 270 HB3 HIS 58 HB1 HIS 58 38.430 -18.710 -2.025 271 HD1 HIS 58 HD1 HIS 58 40.144 -19.770 -0.539 272 HD2 HIS 58 HD2 HIS 58 40.179 -15.617 -0.319 273 HE1 HIS 58 HE1 HIS 58 42.172 -19.179 0.827 274 HE2 HIS 58 HE2 HIS 58 41.982 -16.689 1.190 275 H ALA 59 HN ALA 59 40.236 -15.219 -3.397 276 HA ALA 59 HA ALA 59 41.891 -16.718 -4.947 277 HB1 ALA 59 HB1 ALA 59 39.598 -15.713 -6.651 278 HB2 ALA 59 HB2 ALA 59 40.027 -17.401 -6.366 279 HB3 ALA 59 HB3 ALA 59 41.120 -16.353 -7.271 280 H GLY 60 HN GLY 60 43.224 -15.109 -4.079 281 HA2 GLY 60 HA2 GLY 60 42.673 -12.338 -4.291 282 HA3 GLY 60 HA1 GLY 60 44.211 -13.048 -3.832 283 H HIS 61 HN HIS 61 44.522 -14.534 -6.320 284 HA HIS 61 HA HIS 61 44.741 -12.437 -8.324 285 HB2 HIS 61 HB2 HIS 61 46.780 -12.229 -6.931 286 HB3 HIS 61 HB1 HIS 61 47.173 -13.906 -7.285 287 HD1 HIS 61 HD1 HIS 61 46.722 -10.604 -9.123 288 HD2 HIS 61 HD2 HIS 61 48.699 -14.246 -9.498 289 HE1 HIS 61 HE1 HIS 61 48.244 -10.353 -11.111 290 HE2 HIS 61 HE2 HIS 61 49.593 -12.481 -11.160 291 H TYR 62 HN TYR 62 44.100 -13.284 -10.172 292 HA TYR 62 HA TYR 62 44.586 -16.148 -10.660 293 HB2 TYR 62 HB2 TYR 62 42.163 -15.368 -10.348 294 HB3 TYR 62 HB1 TYR 62 42.348 -14.529 -11.883 295 HD1 TYR 62 HD1 TYR 62 42.422 -15.758 -13.972 296 HD2 TYR 62 HD2 TYR 62 42.138 -17.802 -10.252 297 HE1 TYR 62 HE1 TYR 62 41.805 -17.825 -15.159 298 HE2 TYR 62 HE2 TYR 62 41.526 -19.871 -11.424 299 HH TYR 62 HH TYR 62 40.434 -20.455 -13.650 300 H ALA 63 HN ALA 63 45.983 -16.520 -12.245 301 HA ALA 63 HA ALA 63 46.234 -14.511 -14.390 302 HB1 ALA 63 HB1 ALA 63 48.635 -14.856 -14.426 303 HB2 ALA 63 HB2 ALA 63 48.509 -16.045 -13.129 304 HB3 ALA 63 HB3 ALA 63 48.122 -14.353 -12.815 305 H ARG 64 HN ARG 64 45.355 -15.470 -16.121 306 HA ARG 64 HA ARG 64 45.633 -18.289 -16.619 307 HB2 ARG 64 HB2 ARG 64 43.637 -16.947 -17.318 308 HB3 ARG 64 HB1 ARG 64 44.652 -16.117 -18.487 309 HG2 ARG 64 HG2 ARG 64 44.485 -19.093 -18.571 310 HG3 ARG 64 HG1 ARG 64 43.144 -18.134 -19.197 311 HD2 ARG 64 HD2 ARG 64 46.005 -17.745 -20.055 312 HD3 ARG 64 HD1 ARG 64 44.886 -18.824 -20.884 313 HE ARG 64 HE ARG 64 43.580 -16.420 -20.787 314 HH11 ARG 64 HH11 ARG 64 46.683 -17.495 -22.009 315 HH12 ARG 64 HH12 ARG 64 46.729 -16.326 -23.289 316 HH21 ARG 64 HH21 ARG 64 43.619 -14.908 -22.511 317 HH22 ARG 64 HH22 ARG 64 44.989 -14.868 -23.586 318 H ASP 65 HN ASP 65 46.735 -15.352 -18.308 319 HA ASP 65 HA ASP 65 48.877 -16.895 -19.568 320 HB2 ASP 65 HB2 ASP 65 49.221 -14.894 -20.956 321 HB3 ASP 65 HB1 ASP 65 47.535 -15.401 -20.999 322 H GLY 66 HN GLY 66 48.390 -14.030 -17.558 323 HA2 GLY 66 HA2 GLY 66 50.318 -14.232 -15.711 324 HA3 GLY 66 HA1 GLY 66 51.242 -13.711 -17.117 325 H SER 67 HN SER 67 48.500 -12.872 -15.068 326 HA SER 67 HA SER 67 48.346 -10.219 -16.200 327 HB2 SER 67 HB2 SER 67 46.454 -10.064 -14.441 328 HB3 SER 67 HB1 SER 67 46.236 -11.165 -15.802 329 HG SER 67 HG SER 67 45.716 -12.175 -13.816 330 H THR 68 HN THR 68 48.678 -8.310 -15.097 331 HA THR 68 HA THR 68 50.312 -8.490 -12.688 332 HB THR 68 HB THR 68 51.360 -7.076 -14.239 333 HG1 THR 68 HG1 THR 68 51.115 -4.920 -13.323 334 HG21 THR 68 HG21 THR 68 50.267 -5.264 -15.463 335 HG22 THR 68 HG22 THR 68 48.728 -5.678 -14.706 336 HG23 THR 68 HG23 THR 68 49.507 -6.817 -15.805 337 H ALA 69 HN ALA 69 48.405 -5.636 -13.235 338 HA ALA 69 HA ALA 69 46.053 -6.356 -11.850 339 HB1 ALA 69 HB1 ALA 69 48.064 -4.779 -10.236 340 HB2 ALA 69 HB2 ALA 69 47.532 -6.427 -9.901 341 HB3 ALA 69 HB3 ALA 69 46.389 -5.090 -9.778 342 H SER 70 HN SER 70 44.716 -4.389 -11.402 343 HA SER 70 HA SER 70 45.480 -1.826 -12.251 344 HB2 SER 70 HB2 SER 70 45.481 -2.936 -14.497 345 HB3 SER 70 HB1 SER 70 43.772 -3.305 -14.274 346 HG SER 70 HG SER 70 44.978 -0.731 -14.408 347 H ASP 71 HN ASP 71 42.502 -3.609 -12.958 348 HA ASP 71 HA ASP 71 40.343 -3.259 -12.397 349 HB2 ASP 71 HB2 ASP 71 41.628 -2.909 -9.685 350 HB3 ASP 71 HB1 ASP 71 39.891 -3.054 -9.932 351 H ALA 72 HN ALA 72 40.696 -1.195 -9.759 352 HA ALA 72 HA ALA 72 39.923 0.894 -9.346 353 HB1 ALA 72 HB1 ALA 72 42.117 1.434 -10.288 354 HB2 ALA 72 HB2 ALA 72 40.929 2.693 -10.623 355 HB3 ALA 72 HB3 ALA 72 41.392 1.558 -11.891 356 H GLY 73 HN GLY 73 39.833 1.584 -12.779 357 HA2 GLY 73 HA2 GLY 73 37.086 2.384 -12.625 358 HA3 GLY 73 HA1 GLY 73 38.095 2.371 -14.067 359 H GLU 74 HN GLU 74 36.021 0.481 -12.013 360 HA GLU 74 HA GLU 74 35.258 -1.196 -14.248 361 HB2 GLU 74 HB2 GLU 74 37.208 -2.370 -13.239 362 HB3 GLU 74 HB1 GLU 74 36.370 -2.393 -11.695 363 HG2 GLU 74 HG2 GLU 74 36.243 -4.539 -12.836 364 HG3 GLU 74 HG1 GLU 74 34.648 -3.821 -12.617 365 H THR 75 HN THR 75 35.048 -0.683 -10.764 366 HA THR 75 HA THR 75 33.359 -0.451 -9.304 367 HB THR 75 HB THR 75 31.420 0.860 -9.992 368 HG1 THR 75 HG1 THR 75 31.964 -0.173 -12.419 369 HG21 THR 75 HG21 THR 75 32.622 2.831 -10.828 370 HG22 THR 75 HG22 THR 75 34.010 1.811 -11.208 371 HG23 THR 75 HG23 THR 75 33.501 2.021 -9.532 372 H HIS 76 HN HIS 76 32.845 -2.484 -8.643 373 HA HIS 76 HA HIS 76 30.598 -3.763 -10.058 374 HB2 HIS 76 HB2 HIS 76 31.423 -5.884 -9.579 375 HB3 HIS 76 HB1 HIS 76 32.879 -4.965 -9.901 376 HD1 HIS 76 HD1 HIS 76 32.296 -3.935 -6.618 377 HD2 HIS 76 HD2 HIS 76 33.419 -7.560 -8.310 378 HE1 HIS 76 HE1 HIS 76 33.468 -5.197 -4.793 379 HE2 HIS 76 HE2 HIS 76 33.968 -7.458 -5.797 380 H PHE 77 HN PHE 77 31.025 -1.773 -7.748 381 HA PHE 77 HA PHE 77 28.837 -2.837 -6.125 382 HB2 PHE 77 HB2 PHE 77 30.776 -3.118 -4.727 383 HB3 PHE 77 HB1 PHE 77 31.385 -1.525 -5.148 384 HD1 PHE 77 HD1 PHE 77 27.943 -2.464 -4.068 385 HD2 PHE 77 HD2 PHE 77 31.570 -0.464 -3.094 386 HE1 PHE 77 HE1 PHE 77 26.888 -1.532 -2.053 387 HE2 PHE 77 HE2 PHE 77 30.518 0.470 -1.079 388 HZ PHE 77 HZ PHE 77 28.172 -0.063 -0.556 389 H ARG 78 HN ARG 78 27.223 -1.365 -5.845 390 HA ARG 78 HA ARG 78 27.816 1.452 -6.191 391 HB2 ARG 78 HB2 ARG 78 26.173 1.852 -7.900 392 HB3 ARG 78 HB1 ARG 78 27.275 0.613 -8.475 393 HG2 ARG 78 HG2 ARG 78 25.576 -1.089 -7.789 394 HG3 ARG 78 HG1 ARG 78 24.468 0.245 -7.469 395 HD2 ARG 78 HD2 ARG 78 25.723 -0.513 -10.100 396 HD3 ARG 78 HD1 ARG 78 24.018 -0.596 -9.664 397 HE ARG 78 HE ARG 78 25.492 1.725 -10.536 398 HH11 ARG 78 HH11 ARG 78 22.656 0.632 -8.800 399 HH12 ARG 78 HH12 ARG 78 21.750 2.088 -9.102 400 HH21 ARG 78 HH21 ARG 78 24.298 3.614 -10.972 401 HH22 ARG 78 HH22 ARG 78 22.685 3.795 -10.314 402 H LEU 79 HN LEU 79 26.742 2.638 -4.823 403 HA LEU 79 HA LEU 79 24.361 1.517 -3.509 404 HB2 LEU 79 HB2 LEU 79 26.293 1.924 -2.013 405 HB3 LEU 79 HB1 LEU 79 26.322 3.599 -2.511 406 HG LEU 79 HG LEU 79 25.301 2.997 -0.224 407 HD11 LEU 79 HD11 LEU 79 25.177 5.214 -1.245 408 HD12 LEU 79 HD12 LEU 79 23.707 4.812 -0.359 409 HD13 LEU 79 HD13 LEU 79 23.725 4.725 -2.120 410 HD21 LEU 79 HD21 LEU 79 23.878 1.174 -0.981 411 HD22 LEU 79 HD22 LEU 79 22.976 2.289 -2.007 412 HD23 LEU 79 HD23 LEU 79 22.920 2.464 -0.253 413 H GLU 80 HN GLU 80 22.519 2.436 -4.038 414 HA GLU 80 HA GLU 80 22.514 5.173 -5.091 415 HB2 GLU 80 HB2 GLU 80 22.796 3.653 -6.982 416 HB3 GLU 80 HB1 GLU 80 21.402 2.724 -6.468 417 HG2 GLU 80 HG2 GLU 80 19.952 4.618 -6.933 418 HG3 GLU 80 HG1 GLU 80 21.351 5.574 -7.422 419 H VAL 81 HN VAL 81 20.999 6.284 -4.010 420 HA VAL 81 HA VAL 81 18.497 4.889 -3.340 421 HB VAL 81 HB VAL 81 18.266 5.919 -1.243 422 HG11 VAL 81 HG11 VAL 81 20.226 5.264 0.020 423 HG12 VAL 81 HG12 VAL 81 21.192 5.243 -1.455 424 HG13 VAL 81 HG13 VAL 81 19.882 4.081 -1.242 425 HG21 VAL 81 HG21 VAL 81 19.786 7.640 -0.351 426 HG22 VAL 81 HG22 VAL 81 18.913 8.182 -1.785 427 HG23 VAL 81 HG23 VAL 81 20.605 7.699 -1.912 428 H THR 82 HN THR 82 16.700 5.880 -3.955 429 HA THR 82 HA THR 82 16.891 8.609 -4.994 430 HB THR 82 HB THR 82 15.137 6.386 -6.072 431 HG1 THR 82 HG1 THR 82 17.724 6.792 -6.458 432 HG21 THR 82 HG21 THR 82 15.731 9.144 -7.152 433 HG22 THR 82 HG22 THR 82 14.226 8.642 -6.381 434 HG23 THR 82 HG23 THR 82 14.711 7.924 -7.917 435 H SER 83 HN SER 83 15.600 9.978 -3.920 436 HA SER 83 HA SER 83 13.320 8.887 -2.433 437 HB2 SER 83 HB2 SER 83 14.590 11.627 -2.259 438 HB3 SER 83 HB1 SER 83 13.333 10.992 -1.198 439 HG SER 83 HG SER 83 15.067 10.509 -0.062 440 H ASP 84 HN ASP 84 11.374 9.070 -3.256 441 HA ASP 84 HA ASP 84 9.505 9.906 -4.229 442 HB2 ASP 84 HB2 ASP 84 11.058 12.469 -4.637 443 HB3 ASP 84 HB1 ASP 84 9.320 12.272 -4.820 444 H ALA 85 HN ALA 85 12.222 9.160 -5.759 445 HA ALA 85 HA ALA 85 12.906 8.818 -7.901 446 HB1 ALA 85 HB1 ALA 85 10.910 7.403 -7.937 447 HB2 ALA 85 HB2 ALA 85 11.200 8.141 -9.513 448 HB3 ALA 85 HB3 ALA 85 9.940 8.780 -8.457 449 H PHE 86 HN PHE 86 13.679 11.107 -7.666 450 HA PHE 86 HA PHE 86 12.973 12.682 -9.914 451 HB2 PHE 86 HB2 PHE 86 11.077 13.173 -8.301 452 HB3 PHE 86 HB1 PHE 86 12.275 13.879 -7.223 453 HD1 PHE 86 HD1 PHE 86 12.623 16.154 -7.337 454 HD2 PHE 86 HD2 PHE 86 11.146 14.115 -10.771 455 HE1 PHE 86 HE1 PHE 86 12.406 18.302 -8.518 456 HE2 PHE 86 HE2 PHE 86 10.922 16.259 -11.953 457 HZ PHE 86 HZ PHE 86 11.552 18.356 -10.828 458 H LYS 87 HN LYS 87 14.403 14.455 -10.161 459 HA LYS 87 HA LYS 87 16.867 14.126 -8.624 460 HB2 LYS 87 HB2 LYS 87 16.706 13.963 -11.188 461 HB3 LYS 87 HB1 LYS 87 16.515 15.708 -11.159 462 HG2 LYS 87 HG2 LYS 87 18.688 16.044 -10.857 463 HG3 LYS 87 HG1 LYS 87 18.792 14.803 -9.602 464 HD2 LYS 87 HD2 LYS 87 18.925 13.065 -11.246 465 HD3 LYS 87 HD1 LYS 87 18.629 14.217 -12.553 466 HE2 LYS 87 HE2 LYS 87 20.981 13.685 -12.471 467 HE3 LYS 87 HE1 LYS 87 20.736 15.362 -11.994 468 HZ1 LYS 87 HZ1 LYS 87 20.889 14.634 -9.658 469 HZ2 LYS 87 HZ2 LYS 87 22.309 14.343 -10.538 470 HZ3 LYS 87 HZ3 LYS 87 21.254 13.063 -10.189 471 H GLY 88 HN GLY 88 17.473 15.654 -7.174 472 HA2 GLY 88 HA2 GLY 88 16.501 18.391 -7.541 473 HA3 GLY 88 HA1 GLY 88 16.002 17.557 -6.078 474 H LEU 89 HN LEU 89 17.869 16.570 -4.819 475 HA LEU 89 HA LEU 89 19.760 18.716 -4.364 476 HB2 LEU 89 HB2 LEU 89 19.241 16.149 -2.850 477 HB3 LEU 89 HB1 LEU 89 20.409 17.364 -2.370 478 HG LEU 89 HG LEU 89 17.414 17.727 -2.500 479 HD11 LEU 89 HD11 LEU 89 19.337 17.569 -0.184 480 HD12 LEU 89 HD12 LEU 89 18.126 16.364 -0.626 481 HD13 LEU 89 HD13 LEU 89 17.620 17.958 -0.064 482 HD21 LEU 89 HD21 LEU 89 18.613 19.783 -3.107 483 HD22 LEU 89 HD22 LEU 89 19.564 19.659 -1.627 484 HD23 LEU 89 HD23 LEU 89 17.824 19.930 -1.537 485 H THR 90 HN THR 90 22.026 18.343 -4.241 486 HA THR 90 HA THR 90 23.039 16.869 -6.387 487 HB THR 90 HB THR 90 24.829 17.559 -4.104 488 HG1 THR 90 HG1 THR 90 24.191 19.679 -5.782 489 HG21 THR 90 HG21 THR 90 26.220 18.353 -5.970 490 HG22 THR 90 HG22 THR 90 24.912 17.951 -7.087 491 HG23 THR 90 HG23 THR 90 25.725 16.674 -6.182 492 H LEU 91 HN LEU 91 23.941 14.871 -6.544 493 HA LEU 91 HA LEU 91 22.973 12.880 -4.866 494 HB2 LEU 91 HB2 LEU 91 24.320 11.316 -6.113 495 HB3 LEU 91 HB1 LEU 91 23.598 12.481 -7.201 496 HG LEU 91 HG LEU 91 26.452 12.720 -6.251 497 HD11 LEU 91 HD11 LEU 91 27.118 11.672 -8.345 498 HD12 LEU 91 HD12 LEU 91 25.426 11.374 -8.746 499 HD13 LEU 91 HD13 LEU 91 26.162 10.564 -7.363 500 HD21 LEU 91 HD21 LEU 91 26.699 14.109 -8.235 501 HD22 LEU 91 HD22 LEU 91 25.426 14.742 -7.192 502 HD23 LEU 91 HD23 LEU 91 25.006 13.843 -8.650 503 H VAL 92 HN VAL 92 26.134 14.461 -4.878 504 HA VAL 92 HA VAL 92 27.358 12.657 -3.060 505 HB VAL 92 HB VAL 92 29.119 14.370 -2.813 506 HG11 VAL 92 HG11 VAL 92 29.230 12.800 -4.660 507 HG12 VAL 92 HG12 VAL 92 29.841 14.375 -5.167 508 HG13 VAL 92 HG13 VAL 92 28.226 13.859 -5.649 509 HG21 VAL 92 HG21 VAL 92 27.726 16.375 -2.910 510 HG22 VAL 92 HG22 VAL 92 27.356 16.046 -4.602 511 HG23 VAL 92 HG23 VAL 92 29.006 16.439 -4.121 512 H LYS 93 HN LYS 93 25.094 15.144 -2.618 513 HA LYS 93 HA LYS 93 25.872 15.897 0.042 514 HB2 LYS 93 HB2 LYS 93 24.614 17.366 -1.585 515 HB3 LYS 93 HB1 LYS 93 23.213 16.342 -1.331 516 HG2 LYS 93 HG2 LYS 93 24.550 17.659 0.996 517 HG3 LYS 93 HG1 LYS 93 23.441 18.566 -0.030 518 HD2 LYS 93 HD2 LYS 93 21.696 16.882 0.407 519 HD3 LYS 93 HD1 LYS 93 22.809 16.023 1.471 520 HE2 LYS 93 HE2 LYS 93 21.760 18.828 1.842 521 HE3 LYS 93 HE1 LYS 93 21.302 17.405 2.773 522 HZ1 LYS 93 HZ1 LYS 93 23.999 18.653 2.707 523 HZ2 LYS 93 HZ2 LYS 93 23.599 17.254 3.571 524 HZ3 LYS 93 HZ3 LYS 93 22.888 18.741 3.985 525 H ARG 94 HN ARG 94 23.334 13.860 -1.396 526 HA ARG 94 HA ARG 94 22.279 13.046 1.134 527 HB2 ARG 94 HB2 ARG 94 20.892 13.054 -0.884 528 HB3 ARG 94 HB1 ARG 94 21.929 11.841 -1.620 529 HG2 ARG 94 HG2 ARG 94 19.970 10.756 -0.832 530 HG3 ARG 94 HG1 ARG 94 21.304 10.289 0.225 531 HD2 ARG 94 HD2 ARG 94 20.555 12.120 1.785 532 HD3 ARG 94 HD1 ARG 94 19.117 12.282 0.777 533 HE ARG 94 HE ARG 94 19.411 9.592 1.507 534 HH11 ARG 94 HH11 ARG 94 18.504 12.682 2.898 535 HH12 ARG 94 HH12 ARG 94 17.621 11.964 4.219 536 HH21 ARG 94 HH21 ARG 94 18.224 8.662 3.223 537 HH22 ARG 94 HH22 ARG 94 17.487 9.687 4.411 538 H HIS 95 HN HIS 95 24.567 11.690 -1.180 539 HA HIS 95 HA HIS 95 25.021 9.192 -0.061 540 HB2 HIS 95 HB2 HIS 95 26.029 9.711 -2.163 541 HB3 HIS 95 HB1 HIS 95 26.881 11.095 -1.492 542 HD1 HIS 95 HD1 HIS 95 29.194 10.709 -0.610 543 HD2 HIS 95 HD2 HIS 95 27.147 7.147 -1.309 544 HE1 HIS 95 HE1 HIS 95 30.894 8.879 -0.320 545 HE2 HIS 95 HE2 HIS 95 29.680 6.750 -0.898 546 H GLN 96 HN GLN 96 26.122 12.338 0.995 547 HA GLN 96 HA GLN 96 28.185 11.432 2.717 548 HB2 GLN 96 HB2 GLN 96 28.089 13.724 1.857 549 HB3 GLN 96 HB1 GLN 96 26.596 14.004 2.741 550 HG2 GLN 96 HG2 GLN 96 27.828 13.643 4.852 551 HG3 GLN 96 HG1 GLN 96 29.315 13.490 3.917 552 HE21 GLN 96 HE21 GLN 96 30.248 15.251 4.893 553 HE22 GLN 96 HE22 GLN 96 29.751 16.876 4.565 554 H LEU 97 HN LEU 97 24.740 11.906 3.098 555 HA LEU 97 HA LEU 97 24.715 12.026 5.934 556 HB2 LEU 97 HB2 LEU 97 22.514 11.304 4.001 557 HB3 LEU 97 HB1 LEU 97 22.284 11.645 5.705 558 HG LEU 97 HG LEU 97 23.293 13.607 3.644 559 HD11 LEU 97 HD11 LEU 97 20.919 13.058 3.390 560 HD12 LEU 97 HD12 LEU 97 21.147 14.711 3.962 561 HD13 LEU 97 HD13 LEU 97 20.650 13.448 5.088 562 HD21 LEU 97 HD21 LEU 97 23.103 15.258 5.430 563 HD22 LEU 97 HD22 LEU 97 24.249 13.990 5.867 564 HD23 LEU 97 HD23 LEU 97 22.627 13.992 6.562 565 H ILE 98 HN ILE 98 24.511 9.387 3.638 566 HA ILE 98 HA ILE 98 23.937 7.530 5.836 567 HB ILE 98 HB ILE 98 23.311 5.898 4.098 568 HG12 ILE 98 HG12 ILE 98 23.764 8.207 2.191 569 HG13 ILE 98 HG11 ILE 98 24.730 6.739 2.273 570 HG21 ILE 98 HG21 ILE 98 21.892 8.550 3.883 571 HG22 ILE 98 HG22 ILE 98 21.620 7.325 5.122 572 HG23 ILE 98 HG23 ILE 98 21.223 6.980 3.439 573 HD11 ILE 98 HD11 ILE 98 22.761 5.431 1.616 574 HD12 ILE 98 HD12 ILE 98 23.198 6.643 0.411 575 HD13 ILE 98 HD13 ILE 98 21.831 6.926 1.490 576 H TYR 99 HN TYR 99 26.370 8.455 3.609 577 HA TYR 99 HA TYR 99 28.319 7.543 2.875 578 HB2 TYR 99 HB2 TYR 99 29.869 6.946 4.770 579 HB3 TYR 99 HB1 TYR 99 29.107 8.523 4.881 580 HD1 TYR 99 HD1 TYR 99 29.134 5.099 6.276 581 HD2 TYR 99 HD2 TYR 99 27.688 9.074 6.719 582 HE1 TYR 99 HE1 TYR 99 28.406 4.571 8.564 583 HE2 TYR 99 HE2 TYR 99 26.950 8.557 9.008 584 HH TYR 99 HH TYR 99 26.440 6.760 10.430 585 H GLY 100 HN GLY 100 26.419 5.725 2.284 586 HA2 GLY 100 HA2 GLY 100 26.912 3.142 3.389 587 HA3 GLY 100 HA1 GLY 100 25.943 3.497 1.971 588 H LEU 101 HN LEU 101 28.244 4.870 0.664 589 HA LEU 101 HA LEU 101 29.700 2.426 -0.078 590 HB2 LEU 101 HB2 LEU 101 28.127 3.233 -1.810 591 HB3 LEU 101 HB1 LEU 101 28.994 4.754 -1.863 592 HG LEU 101 HG LEU 101 30.557 2.273 -2.377 593 HD11 LEU 101 HD11 LEU 101 28.541 1.877 -3.663 594 HD12 LEU 101 HD12 LEU 101 29.883 2.284 -4.733 595 HD13 LEU 101 HD13 LEU 101 28.649 3.489 -4.366 596 HD21 LEU 101 HD21 LEU 101 30.544 5.046 -3.573 597 HD22 LEU 101 HD22 LEU 101 31.654 3.750 -4.020 598 HD23 LEU 101 HD23 LEU 101 31.692 4.417 -2.388 599 H LEU 102 HN LEU 102 31.564 2.563 0.926 600 HA LEU 102 HA LEU 102 33.720 3.911 -0.020 601 HB2 LEU 102 HB2 LEU 102 32.468 5.963 0.880 602 HB3 LEU 102 HB1 LEU 102 32.825 5.347 2.482 603 HG LEU 102 HG LEU 102 35.218 5.556 2.068 604 HD11 LEU 102 HD11 LEU 102 35.220 5.078 -0.325 605 HD12 LEU 102 HD12 LEU 102 36.056 6.593 0.021 606 HD13 LEU 102 HD13 LEU 102 34.421 6.619 -0.640 607 HD21 LEU 102 HD21 LEU 102 35.344 8.011 1.884 608 HD22 LEU 102 HD22 LEU 102 34.073 7.483 2.985 609 HD23 LEU 102 HD23 LEU 102 33.658 8.040 1.365 610 H SER 103 HN SER 103 33.125 1.387 0.955 611 HA SER 103 HA SER 103 35.053 0.996 3.035 612 HB2 SER 103 HB2 SER 103 32.145 0.520 3.738 613 HB3 SER 103 HB1 SER 103 33.524 0.039 4.724 614 HG SER 103 HG SER 103 33.709 2.641 4.068 615 H ASP 104 HN ASP 104 32.179 -0.566 1.555 616 HA ASP 104 HA ASP 104 33.251 -3.181 2.121 617 HB2 ASP 104 HB2 ASP 104 30.731 -2.265 1.926 618 HB3 ASP 104 HB1 ASP 104 30.927 -2.889 0.294 619 H GLU 105 HN GLU 105 33.297 -1.017 -0.579 620 HA GLU 105 HA GLU 105 33.828 -3.011 -2.561 621 HB2 GLU 105 HB2 GLU 105 34.254 -1.182 -4.074 622 HB3 GLU 105 HB1 GLU 105 32.823 -0.824 -3.125 623 HG2 GLU 105 HG2 GLU 105 35.570 0.357 -2.804 624 HG3 GLU 105 HG1 GLU 105 34.114 1.166 -3.378 625 H PHE 106 HN PHE 106 35.778 -0.940 -0.504 626 HA PHE 106 HA PHE 106 38.305 -1.410 -1.595 627 HB2 PHE 106 HB2 PHE 106 37.827 0.275 0.142 628 HB3 PHE 106 HB1 PHE 106 37.533 -1.008 1.307 629 HD1 PHE 106 HD1 PHE 106 40.152 0.458 -0.872 630 HD2 PHE 106 HD2 PHE 106 39.284 -1.887 2.573 631 HE1 PHE 106 HE1 PHE 106 42.534 0.488 -0.254 632 HE2 PHE 106 HE2 PHE 106 41.665 -1.864 3.194 633 HZ PHE 106 HZ PHE 106 43.291 -0.678 1.779 634 H LYS 107 HN LYS 107 36.227 -3.410 0.271 635 HA LYS 107 HA LYS 107 38.013 -5.305 1.301 636 HB2 LYS 107 HB2 LYS 107 35.653 -5.076 1.959 637 HB3 LYS 107 HB1 LYS 107 35.156 -5.650 0.377 638 HG2 LYS 107 HG2 LYS 107 36.307 -7.805 0.885 639 HG3 LYS 107 HG1 LYS 107 36.564 -7.207 2.527 640 HD2 LYS 107 HD2 LYS 107 34.563 -8.586 2.447 641 HD3 LYS 107 HD1 LYS 107 34.126 -6.906 2.775 642 HE2 LYS 107 HE2 LYS 107 33.722 -6.646 0.308 643 HE3 LYS 107 HE1 LYS 107 33.912 -8.392 0.166 644 HZ1 LYS 107 HZ1 LYS 107 31.636 -8.074 0.351 645 HZ2 LYS 107 HZ2 LYS 107 31.781 -6.865 1.521 646 HZ3 LYS 107 HZ3 LYS 107 32.080 -8.489 1.936 647 H ALA 108 HN ALA 108 36.561 -4.961 -1.901 648 HA ALA 108 HA ALA 108 37.898 -7.438 -2.735 649 HB1 ALA 108 HB1 ALA 108 35.519 -7.315 -3.278 650 HB2 ALA 108 HB2 ALA 108 36.514 -7.394 -4.731 651 HB3 ALA 108 HB3 ALA 108 35.804 -5.865 -4.233 652 H GLY 109 HN GLY 109 38.010 -3.981 -3.077 653 HA2 GLY 109 HA2 GLY 109 40.230 -3.105 -3.306 654 HA3 GLY 109 HA1 GLY 109 40.617 -4.449 -4.356 655 H LEU 110 HN LEU 110 37.728 -3.512 -5.564 656 HA LEU 110 HA LEU 110 39.063 -1.613 -7.364 657 HB2 LEU 110 HB2 LEU 110 37.468 -2.202 -9.075 658 HB3 LEU 110 HB1 LEU 110 38.275 -3.635 -8.479 659 HG LEU 110 HG LEU 110 35.522 -2.823 -7.560 660 HD11 LEU 110 HD11 LEU 110 34.637 -4.416 -9.160 661 HD12 LEU 110 HD12 LEU 110 36.262 -4.741 -9.766 662 HD13 LEU 110 HD13 LEU 110 35.535 -3.149 -9.995 663 HD21 LEU 110 HD21 LEU 110 37.026 -5.438 -7.470 664 HD22 LEU 110 HD22 LEU 110 35.368 -5.185 -6.925 665 HD23 LEU 110 HD23 LEU 110 36.701 -4.378 -6.098 666 H HIS 111 HN HIS 111 37.869 0.173 -8.184 667 HA HIS 111 HA HIS 111 36.660 1.651 -6.108 668 HB2 HIS 111 HB2 HIS 111 38.004 2.633 -7.949 669 HB3 HIS 111 HB1 HIS 111 36.714 2.243 -9.075 670 HD1 HIS 111 HD1 HIS 111 35.425 4.256 -9.653 671 HD2 HIS 111 HD2 HIS 111 36.749 4.370 -5.708 672 HE1 HIS 111 HE1 HIS 111 34.565 6.420 -8.708 673 HE2 HIS 111 HE2 HIS 111 35.266 6.413 -6.289 674 H ALA 112 HN ALA 112 34.554 2.558 -6.019 675 HA ALA 112 HA ALA 112 32.480 1.088 -7.497 676 HB1 ALA 112 HB1 ALA 112 32.644 0.237 -5.204 677 HB2 ALA 112 HB2 ALA 112 31.109 1.056 -5.489 678 HB3 ALA 112 HB3 ALA 112 32.387 1.867 -4.584 679 H LEU 113 HN LEU 113 30.383 2.279 -7.542 680 HA LEU 113 HA LEU 113 30.813 5.190 -7.457 681 HB2 LEU 113 HB2 LEU 113 29.649 5.515 -9.493 682 HB3 LEU 113 HB1 LEU 113 30.848 4.275 -9.790 683 HG LEU 113 HG LEU 113 27.919 3.704 -9.299 684 HD11 LEU 113 HD11 LEU 113 29.450 3.898 -11.888 685 HD12 LEU 113 HD12 LEU 113 28.177 4.988 -11.341 686 HD13 LEU 113 HD13 LEU 113 27.796 3.308 -11.719 687 HD21 LEU 113 HD21 LEU 113 28.458 1.510 -10.244 688 HD22 LEU 113 HD22 LEU 113 29.383 1.828 -8.777 689 HD23 LEU 113 HD23 LEU 113 30.155 1.976 -10.356 690 H SER 114 HN SER 114 29.171 6.422 -6.639 691 HA SER 114 HA SER 114 26.772 4.975 -5.731 692 HB2 SER 114 HB2 SER 114 28.413 5.272 -3.877 693 HB3 SER 114 HB1 SER 114 28.323 7.016 -4.118 694 HG SER 114 HG SER 114 25.918 5.648 -3.753 695 H MET 115 HN MET 115 24.902 5.959 -6.225 696 HA MET 115 HA MET 115 24.937 8.865 -6.666 697 HB2 MET 115 HB2 MET 115 23.470 6.865 -8.398 698 HB3 MET 115 HB1 MET 115 23.352 8.611 -8.534 699 HG2 MET 115 HG2 MET 115 25.878 8.566 -8.929 700 HG3 MET 115 HG1 MET 115 25.669 6.832 -9.173 701 HE1 MET 115 HE1 MET 115 23.180 6.787 -12.235 702 HE2 MET 115 HE2 MET 115 22.759 6.771 -10.522 703 HE3 MET 115 HE3 MET 115 24.103 5.792 -11.108 704 H THR 116 HN THR 116 23.592 9.783 -5.278 705 HA THR 116 HA THR 116 21.141 8.335 -4.554 706 HB THR 116 HB THR 116 21.325 9.194 -2.264 707 HG1 THR 116 HG1 THR 116 22.739 11.004 -3.086 708 HG21 THR 116 HG21 THR 116 22.308 6.993 -2.763 709 HG22 THR 116 HG22 THR 116 23.201 7.831 -1.494 710 HG23 THR 116 HG23 THR 116 23.849 7.773 -3.133 711 H THR 117 HN THR 117 19.477 9.461 -5.335 712 HA THR 117 HA THR 117 19.698 12.390 -5.347 713 HB THR 117 HB THR 117 19.635 11.551 -7.620 714 HG1 THR 117 HG1 THR 117 17.016 12.513 -7.377 715 HG21 THR 117 HG21 THR 117 17.008 10.263 -6.881 716 HG22 THR 117 HG22 THR 117 18.512 9.420 -7.251 717 HG23 THR 117 HG23 THR 117 17.692 10.350 -8.505 718 H LYS 118 HN LYS 118 18.262 13.535 -4.319 719 HA LYS 118 HA LYS 118 15.717 12.334 -3.480 720 HB2 LYS 118 HB2 LYS 118 17.229 12.471 -1.524 721 HB3 LYS 118 HB1 LYS 118 17.469 14.190 -1.826 722 HG2 LYS 118 HG2 LYS 118 14.939 14.406 -1.573 723 HG3 LYS 118 HG1 LYS 118 14.987 12.779 -0.899 724 HD2 LYS 118 HD2 LYS 118 16.500 13.537 0.853 725 HD3 LYS 118 HD1 LYS 118 16.508 15.160 0.158 726 HE2 LYS 118 HE2 LYS 118 14.127 13.709 1.313 727 HE3 LYS 118 HE1 LYS 118 14.981 15.067 2.042 728 HZ1 LYS 118 HZ1 LYS 118 14.278 16.475 0.235 729 HZ2 LYS 118 HZ2 LYS 118 12.917 15.740 0.930 730 HZ3 LYS 118 HZ3 LYS 118 13.525 15.172 -0.545 731 H THR 119 HN THR 119 13.999 13.905 -3.223 732 HA THR 119 HA THR 119 13.810 15.961 -5.077 733 HB THR 119 HB THR 119 12.021 16.811 -3.330 734 HG1 THR 119 HG1 THR 119 11.702 14.297 -2.378 735 HG21 THR 119 HG21 THR 119 11.794 14.149 -4.743 736 HG22 THR 119 HG22 THR 119 11.508 15.732 -5.469 737 HG23 THR 119 HG23 THR 119 10.444 15.140 -4.191 738 HA PRO 120 HA PRO 120 16.192 19.245 -3.385 739 HB2 PRO 120 HB2 PRO 120 14.898 21.410 -4.372 740 HB3 PRO 120 HB1 PRO 120 15.856 20.326 -5.386 741 HG2 PRO 120 HG2 PRO 120 12.890 20.428 -4.997 742 HG3 PRO 120 HG1 PRO 120 13.818 20.209 -6.493 743 HD2 PRO 120 HD2 PRO 120 12.660 18.148 -5.158 744 HD3 PRO 120 HD1 PRO 120 14.144 17.968 -6.113 745 H ALA 121 HN ALA 121 15.946 21.413 -2.194 746 HA ALA 121 HA ALA 121 14.181 21.007 0.066 747 HB1 ALA 121 HB1 ALA 121 15.312 22.970 1.013 748 HB2 ALA 121 HB2 ALA 121 16.149 23.224 -0.519 749 HB3 ALA 121 HB3 ALA 121 16.474 21.777 0.434 750 H GLU 122 HN GLU 122 14.203 22.717 -2.877 751 HA GLU 122 HA GLU 122 11.932 24.374 -2.046 752 HB2 GLU 122 HB2 GLU 122 13.816 25.504 -3.196 753 HB3 GLU 122 HB1 GLU 122 13.567 24.464 -4.591 754 HG2 GLU 122 HG2 GLU 122 11.263 25.397 -4.774 755 HG3 GLU 122 HG1 GLU 122 11.695 26.546 -3.507 756 H GLN 123 HN GLN 123 10.095 23.236 -2.224 757 HA GLN 123 HA GLN 123 9.514 21.990 -4.808 758 HB2 GLN 123 HB2 GLN 123 10.263 20.241 -3.144 759 HB3 GLN 123 HB1 GLN 123 8.852 20.653 -2.179 760 HG2 GLN 123 HG2 GLN 123 7.421 20.049 -4.109 761 HG3 GLN 123 HG1 GLN 123 8.869 19.526 -4.968 762 HE21 GLN 123 HE21 GLN 123 10.059 18.520 -2.448 763 HE22 GLN 123 HE22 GLN 123 9.251 17.028 -2.124 Start of MODEL 7 1 H MET 24 HT3 MET 24 7.925 3.161 4.474 2 HA MET 24 HA MET 24 5.428 3.200 2.886 3 HB2 MET 24 HB2 MET 24 6.827 5.177 2.494 4 HB3 MET 24 HB1 MET 24 8.216 4.144 2.185 5 HG2 MET 24 HG2 MET 24 7.063 3.199 0.237 6 HG3 MET 24 HG1 MET 24 5.694 4.267 0.541 7 HE1 MET 24 HE1 MET 24 5.821 5.221 -1.941 8 HE2 MET 24 HE2 MET 24 7.153 4.109 -2.255 9 HE3 MET 24 HE3 MET 24 7.310 5.814 -2.676 10 H ALA 25 HN ALA 25 8.848 2.182 2.680 11 HA ALA 25 HA ALA 25 7.969 -0.181 1.194 12 HB1 ALA 25 HB1 ALA 25 10.766 0.868 1.620 13 HB2 ALA 25 HB2 ALA 25 9.752 1.232 0.223 14 HB3 ALA 25 HB3 ALA 25 10.279 -0.424 0.523 15 H GLU 26 HN GLU 26 7.924 -2.135 2.106 16 HA GLU 26 HA GLU 26 9.646 -2.670 4.421 17 HB2 GLU 26 HB2 GLU 26 7.188 -2.024 5.008 18 HB3 GLU 26 HB1 GLU 26 6.805 -3.636 4.417 19 HG2 GLU 26 HG2 GLU 26 8.365 -4.588 6.050 20 HG3 GLU 26 HG1 GLU 26 8.678 -2.968 6.675 21 H HIS 27 HN HIS 27 8.946 -3.439 1.418 22 HA HIS 27 HA HIS 27 9.440 -6.320 1.810 23 HB2 HIS 27 HB2 HIS 27 7.349 -5.882 0.603 24 HB3 HIS 27 HB1 HIS 27 8.210 -4.885 -0.563 25 HD1 HIS 27 HD1 HIS 27 7.972 -8.511 0.556 26 HD2 HIS 27 HD2 HIS 27 9.222 -6.230 -2.696 27 HE1 HIS 27 HE1 HIS 27 8.497 -10.161 -1.280 28 HE2 HIS 27 HE2 HIS 27 9.222 -8.753 -3.247 29 H GLN 28 HN GLN 28 10.715 -3.375 0.857 30 HA GLN 28 HA GLN 28 12.688 -4.430 -0.981 31 HB2 GLN 28 HB2 GLN 28 11.851 -2.263 -1.510 32 HB3 GLN 28 HB1 GLN 28 12.104 -1.691 0.131 33 HG2 GLN 28 HG2 GLN 28 14.499 -1.759 -0.179 34 HG3 GLN 28 HG1 GLN 28 14.294 -2.432 -1.795 35 HE21 GLN 28 HE21 GLN 28 13.803 0.402 0.206 36 HE22 GLN 28 HE22 GLN 28 13.711 1.543 -1.098 37 H LEU 29 HN LEU 29 14.153 -5.684 -0.004 38 HA LEU 29 HA LEU 29 15.627 -4.560 2.284 39 HB2 LEU 29 HB2 LEU 29 14.839 -7.446 1.839 40 HB3 LEU 29 HB1 LEU 29 15.912 -6.890 3.109 41 HG LEU 29 HG LEU 29 13.011 -6.099 2.833 42 HD11 LEU 29 HD11 LEU 29 13.248 -8.456 3.399 43 HD12 LEU 29 HD12 LEU 29 12.638 -7.532 4.772 44 HD13 LEU 29 HD13 LEU 29 14.327 -8.037 4.729 45 HD21 LEU 29 HD21 LEU 29 13.277 -5.155 5.057 46 HD22 LEU 29 HD22 LEU 29 14.398 -4.400 3.924 47 HD23 LEU 29 HD23 LEU 29 14.980 -5.613 5.065 48 H GLY 30 HN GLY 30 17.497 -6.737 2.391 49 HA2 GLY 30 HA2 GLY 30 18.667 -7.742 0.211 50 HA3 GLY 30 HA1 GLY 30 19.130 -6.052 0.085 51 HA PRO 31 HA PRO 31 21.804 -7.907 3.487 52 HB2 PRO 31 HB2 PRO 31 21.501 -10.515 4.130 53 HB3 PRO 31 HB1 PRO 31 20.470 -9.249 4.802 54 HG2 PRO 31 HG2 PRO 31 19.800 -11.351 2.885 55 HG3 PRO 31 HG1 PRO 31 18.718 -10.297 3.807 56 HD2 PRO 31 HD2 PRO 31 19.633 -10.036 1.038 57 HD3 PRO 31 HD1 PRO 31 18.322 -9.173 1.869 58 H ILE 32 HN ILE 32 23.861 -8.057 2.698 59 HA ILE 32 HA ILE 32 24.834 -10.528 1.672 60 HB ILE 32 HB ILE 32 23.868 -9.833 -0.415 61 HG12 ILE 32 HG12 ILE 32 26.862 -9.400 -0.422 62 HG13 ILE 32 HG11 ILE 32 26.042 -10.953 -0.524 63 HG21 ILE 32 HG21 ILE 32 25.430 -7.272 -0.142 64 HG22 ILE 32 HG22 ILE 32 23.679 -7.447 -0.014 65 HG23 ILE 32 HG23 ILE 32 24.487 -7.762 -1.550 66 HD11 ILE 32 HD11 ILE 32 25.928 -8.749 -2.564 67 HD12 ILE 32 HD12 ILE 32 25.072 -10.288 -2.673 68 HD13 ILE 32 HD13 ILE 32 26.836 -10.254 -2.694 69 H ALA 33 HN ALA 33 25.524 -7.033 1.854 70 HA ALA 33 HA ALA 33 28.311 -7.725 2.501 71 HB1 ALA 33 HB1 ALA 33 27.285 -5.172 1.271 72 HB2 ALA 33 HB2 ALA 33 28.045 -6.494 0.386 73 HB3 ALA 33 HB3 ALA 33 28.971 -5.586 1.580 74 H GLY 34 HN GLY 34 29.407 -6.361 4.063 75 HA2 GLY 34 HA2 GLY 34 27.895 -5.897 6.391 76 HA3 GLY 34 HA1 GLY 34 29.535 -5.329 6.115 77 H ALA 35 HN ALA 35 29.084 -3.688 3.915 78 HA ALA 35 HA ALA 35 28.301 -1.275 5.112 79 HB1 ALA 35 HB1 ALA 35 29.854 -1.432 3.219 80 HB2 ALA 35 HB2 ALA 35 28.543 -0.293 2.915 81 HB3 ALA 35 HB3 ALA 35 28.511 -1.891 2.171 82 H ILE 36 HN ILE 36 26.457 -3.676 3.434 83 HA ILE 36 HA ILE 36 24.387 -2.055 2.461 84 HB ILE 36 HB ILE 36 25.001 -4.608 2.023 85 HG12 ILE 36 HG12 ILE 36 22.157 -3.625 1.790 86 HG13 ILE 36 HG11 ILE 36 23.464 -3.007 0.788 87 HG21 ILE 36 HG21 ILE 36 22.671 -4.748 3.934 88 HG22 ILE 36 HG22 ILE 36 24.272 -5.441 4.180 89 HG23 ILE 36 HG23 ILE 36 23.225 -6.070 2.907 90 HD11 ILE 36 HD11 ILE 36 22.209 -4.691 -0.397 91 HD12 ILE 36 HD12 ILE 36 22.503 -5.851 0.897 92 HD13 ILE 36 HD13 ILE 36 23.848 -5.264 -0.080 93 H LYS 37 HN LYS 37 25.009 -3.243 5.641 94 HA LYS 37 HA LYS 37 22.514 -3.126 6.825 95 HB2 LYS 37 HB2 LYS 37 25.238 -2.380 7.866 96 HB3 LYS 37 HB1 LYS 37 23.807 -2.324 8.883 97 HG2 LYS 37 HG2 LYS 37 24.747 -4.786 7.427 98 HG3 LYS 37 HG1 LYS 37 25.138 -4.408 9.106 99 HD2 LYS 37 HD2 LYS 37 22.751 -4.383 9.654 100 HD3 LYS 37 HD1 LYS 37 22.364 -4.763 7.977 101 HE2 LYS 37 HE2 LYS 37 23.441 -6.902 8.153 102 HE3 LYS 37 HE1 LYS 37 24.035 -6.518 9.767 103 HZ1 LYS 37 HZ1 LYS 37 21.180 -6.815 8.994 104 HZ2 LYS 37 HZ2 LYS 37 21.742 -6.424 10.545 105 HZ3 LYS 37 HZ3 LYS 37 22.088 -7.942 9.876 106 H SER 38 HN SER 38 24.541 -0.499 5.711 107 HA SER 38 HA SER 38 23.268 1.616 7.063 108 HB2 SER 38 HB2 SER 38 24.733 1.628 4.416 109 HB3 SER 38 HB1 SER 38 24.310 3.061 5.351 110 HG SER 38 HG SER 38 26.040 2.745 6.464 111 H LYS 39 HN LYS 39 22.643 0.198 3.838 112 HA LYS 39 HA LYS 39 20.699 2.094 3.060 113 HB2 LYS 39 HB2 LYS 39 20.068 0.612 1.296 114 HB3 LYS 39 HB1 LYS 39 21.808 0.475 1.487 115 HG2 LYS 39 HG2 LYS 39 21.649 -1.647 2.467 116 HG3 LYS 39 HG1 LYS 39 19.927 -1.463 2.793 117 HD2 LYS 39 HD2 LYS 39 21.022 -1.500 -0.007 118 HD3 LYS 39 HD1 LYS 39 20.606 -2.982 0.854 119 HE2 LYS 39 HE2 LYS 39 18.316 -2.086 1.181 120 HE3 LYS 39 HE1 LYS 39 18.760 -0.691 0.200 121 HZ1 LYS 39 HZ1 LYS 39 17.588 -2.380 -1.095 122 HZ2 LYS 39 HZ2 LYS 39 18.790 -3.513 -0.730 123 HZ3 LYS 39 HZ3 LYS 39 19.165 -2.153 -1.666 124 H VAL 40 HN VAL 40 20.573 -0.653 5.126 125 HA VAL 40 HA VAL 40 17.905 -1.408 4.852 126 HB VAL 40 HB VAL 40 19.789 -1.692 7.192 127 HG11 VAL 40 HG11 VAL 40 17.477 -1.865 7.986 128 HG12 VAL 40 HG12 VAL 40 18.277 -3.436 8.023 129 HG13 VAL 40 HG13 VAL 40 17.133 -3.061 6.736 130 HG21 VAL 40 HG21 VAL 40 20.509 -2.810 5.160 131 HG22 VAL 40 HG22 VAL 40 18.943 -3.612 5.028 132 HG23 VAL 40 HG23 VAL 40 20.016 -3.991 6.375 133 H GLU 41 HN GLU 41 19.358 0.961 7.111 134 HA GLU 41 HA GLU 41 16.966 1.429 8.540 135 HB2 GLU 41 HB2 GLU 41 18.047 3.492 9.344 136 HB3 GLU 41 HB1 GLU 41 19.117 2.105 9.458 137 HG2 GLU 41 HG2 GLU 41 20.397 2.825 7.604 138 HG3 GLU 41 HG1 GLU 41 19.215 4.064 7.188 139 H ALA 42 HN ALA 42 18.410 3.071 5.772 140 HA ALA 42 HA ALA 42 16.417 5.062 5.497 141 HB1 ALA 42 HB1 ALA 42 17.459 5.551 3.374 142 HB2 ALA 42 HB2 ALA 42 18.346 4.027 3.436 143 HB3 ALA 42 HB3 ALA 42 18.683 5.292 4.617 144 H ALA 43 HN ALA 43 16.418 1.753 4.645 145 HA ALA 43 HA ALA 43 15.175 1.820 2.135 146 HB1 ALA 43 HB1 ALA 43 16.399 -0.111 3.008 147 HB2 ALA 43 HB2 ALA 43 14.793 -0.547 2.427 148 HB3 ALA 43 HB3 ALA 43 15.096 -0.408 4.160 149 H LEU 44 HN LEU 44 13.799 2.205 5.279 150 HA LEU 44 HA LEU 44 11.158 1.350 4.626 151 HB2 LEU 44 HB2 LEU 44 12.082 3.221 6.807 152 HB3 LEU 44 HB1 LEU 44 10.508 2.458 6.715 153 HG LEU 44 HG LEU 44 13.129 1.002 7.065 154 HD11 LEU 44 HD11 LEU 44 12.554 2.269 9.044 155 HD12 LEU 44 HD12 LEU 44 12.292 0.549 9.333 156 HD13 LEU 44 HD13 LEU 44 10.918 1.611 9.023 157 HD21 LEU 44 HD21 LEU 44 10.293 -0.022 7.153 158 HD22 LEU 44 HD22 LEU 44 11.755 -0.966 7.447 159 HD23 LEU 44 HD23 LEU 44 11.443 -0.297 5.845 160 H SER 45 HN SER 45 12.973 4.186 4.039 161 HA SER 45 HA SER 45 10.640 5.910 3.739 162 HB2 SER 45 HB2 SER 45 13.578 6.552 3.376 163 HB3 SER 45 HB1 SER 45 12.256 7.710 3.535 164 HG SER 45 HG SER 45 12.338 5.915 5.580 165 HA PRO 46 HA PRO 46 10.455 5.839 -0.721 166 HB2 PRO 46 HB2 PRO 46 10.814 8.768 -0.845 167 HB3 PRO 46 HB1 PRO 46 9.460 7.777 -1.394 168 HG2 PRO 46 HG2 PRO 46 9.257 9.322 0.785 169 HG3 PRO 46 HG1 PRO 46 8.463 7.739 0.691 170 HD2 PRO 46 HD2 PRO 46 10.985 8.515 2.104 171 HD3 PRO 46 HD1 PRO 46 9.688 7.424 2.634 172 H THR 47 HN THR 47 12.469 4.829 -1.065 173 HA THR 47 HA THR 47 14.252 6.185 -2.739 174 HB THR 47 HB THR 47 14.980 7.270 -0.631 175 HG1 THR 47 HG1 THR 47 16.532 6.948 -2.257 176 HG21 THR 47 HG21 THR 47 15.751 4.480 0.217 177 HG22 THR 47 HG22 THR 47 14.470 5.463 0.927 178 HG23 THR 47 HG23 THR 47 16.154 5.967 1.073 179 H HIS 48 HN HIS 48 15.935 4.754 -3.532 180 HA HIS 48 HA HIS 48 15.625 1.951 -2.687 181 HB2 HIS 48 HB2 HIS 48 14.390 2.197 -4.758 182 HB3 HIS 48 HB1 HIS 48 15.746 3.025 -5.515 183 HD1 HIS 48 HD1 HIS 48 14.724 -0.409 -4.294 184 HD2 HIS 48 HD2 HIS 48 17.594 1.385 -6.712 185 HE1 HIS 48 HE1 HIS 48 15.934 -2.300 -5.433 186 HE2 HIS 48 HE2 HIS 48 17.526 -1.181 -7.039 187 H PHE 49 HN PHE 49 17.488 1.048 -2.134 188 HA PHE 49 HA PHE 49 19.984 2.276 -3.096 189 HB2 PHE 49 HB2 PHE 49 19.408 0.677 -0.602 190 HB3 PHE 49 HB1 PHE 49 21.032 1.110 -1.125 191 HD1 PHE 49 HD1 PHE 49 21.890 3.284 -0.805 192 HD2 PHE 49 HD2 PHE 49 17.827 2.428 0.102 193 HE1 PHE 49 HE1 PHE 49 21.704 5.432 0.372 194 HE2 PHE 49 HE2 PHE 49 17.632 4.578 1.276 195 HZ PHE 49 HZ PHE 49 19.575 6.084 1.413 196 H LYS 50 HN LYS 50 21.032 1.214 -4.563 197 HA LYS 50 HA LYS 50 20.691 -1.697 -4.816 198 HB2 LYS 50 HB2 LYS 50 20.081 -0.532 -6.796 199 HB3 LYS 50 HB1 LYS 50 21.488 0.509 -6.706 200 HG2 LYS 50 HG2 LYS 50 22.889 -1.533 -7.160 201 HG3 LYS 50 HG1 LYS 50 21.374 -2.378 -7.516 202 HD2 LYS 50 HD2 LYS 50 20.836 -0.815 -9.248 203 HD3 LYS 50 HD1 LYS 50 22.206 0.206 -8.818 204 HE2 LYS 50 HE2 LYS 50 23.685 -1.755 -9.411 205 HE3 LYS 50 HE1 LYS 50 22.247 -2.515 -10.098 206 HZ1 LYS 50 HZ1 LYS 50 23.397 -1.369 -11.830 207 HZ2 LYS 50 HZ2 LYS 50 23.471 0.060 -10.921 208 HZ3 LYS 50 HZ3 LYS 50 21.977 -0.504 -11.497 209 H LEU 51 HN LEU 51 22.271 -2.799 -3.834 210 HA LEU 51 HA LEU 51 25.026 -1.804 -4.058 211 HB2 LEU 51 HB2 LEU 51 24.054 -1.413 -1.784 212 HB3 LEU 51 HB1 LEU 51 23.854 -3.144 -1.617 213 HG LEU 51 HG LEU 51 26.582 -2.001 -2.140 214 HD11 LEU 51 HD11 LEU 51 26.938 -1.835 0.273 215 HD12 LEU 51 HD12 LEU 51 25.242 -2.228 0.555 216 HD13 LEU 51 HD13 LEU 51 25.674 -0.727 -0.262 217 HD21 LEU 51 HD21 LEU 51 25.607 -4.429 -0.634 218 HD22 LEU 51 HD22 LEU 51 27.293 -3.981 -0.894 219 HD23 LEU 51 HD23 LEU 51 26.277 -4.427 -2.265 220 H ILE 52 HN ILE 52 26.219 -3.226 -5.180 221 HA ILE 52 HA ILE 52 25.798 -6.069 -4.569 222 HB ILE 52 HB ILE 52 26.498 -6.694 -6.838 223 HG12 ILE 52 HG12 ILE 52 26.076 -4.599 -8.498 224 HG13 ILE 52 HG11 ILE 52 26.820 -3.770 -7.136 225 HG21 ILE 52 HG21 ILE 52 24.140 -6.580 -6.311 226 HG22 ILE 52 HG22 ILE 52 24.421 -6.097 -7.984 227 HG23 ILE 52 HG23 ILE 52 24.103 -4.872 -6.756 228 HD11 ILE 52 HD11 ILE 52 28.758 -5.221 -7.289 229 HD12 ILE 52 HD12 ILE 52 28.457 -4.404 -8.823 230 HD13 ILE 52 HD13 ILE 52 28.011 -6.099 -8.625 231 H ASN 53 HN ASN 53 27.546 -7.199 -3.991 232 HA ASN 53 HA ASN 53 30.178 -5.945 -4.367 233 HB2 ASN 53 HB2 ASN 53 29.597 -5.710 -2.028 234 HB3 ASN 53 HB1 ASN 53 29.177 -7.416 -1.918 235 HD21 ASN 53 HD21 ASN 53 31.736 -5.097 -2.052 236 HD22 ASN 53 HD22 ASN 53 33.013 -6.170 -1.616 237 H ASP 54 HN ASP 54 31.385 -7.122 -5.651 238 HA ASP 54 HA ASP 54 30.849 -9.971 -5.983 239 HB2 ASP 54 HB2 ASP 54 31.166 -8.752 -8.025 240 HB3 ASP 54 HB1 ASP 54 32.653 -8.025 -7.431 241 H SER 55 HN SER 55 32.918 -7.913 -4.268 242 HA SER 55 HA SER 55 34.798 -8.148 -3.039 243 HB2 SER 55 HB2 SER 55 33.475 -10.027 -2.018 244 HB3 SER 55 HB1 SER 55 34.251 -11.129 -3.155 245 HG SER 55 HG SER 55 35.164 -10.628 -0.855 246 H HIS 56 HN HIS 56 36.399 -10.834 -3.447 247 HA HIS 56 HA HIS 56 37.438 -10.375 -6.120 248 HB2 HIS 56 HB2 HIS 56 39.687 -9.860 -5.440 249 HB3 HIS 56 HB1 HIS 56 38.607 -8.707 -4.669 250 HD1 HIS 56 HD1 HIS 56 37.997 -9.404 -2.048 251 HD2 HIS 56 HD2 HIS 56 41.437 -11.014 -3.732 252 HE1 HIS 56 HE1 HIS 56 39.395 -10.178 -0.113 253 HE2 HIS 56 HE2 HIS 56 41.545 -10.988 -1.147 254 H LYS 57 HN LYS 57 38.565 -12.086 -6.945 255 HA LYS 57 HA LYS 57 38.526 -14.570 -5.448 256 HB2 LYS 57 HB2 LYS 57 39.464 -13.940 -8.259 257 HB3 LYS 57 HB1 LYS 57 39.382 -15.552 -7.564 258 HG2 LYS 57 HG2 LYS 57 36.994 -15.434 -7.417 259 HG3 LYS 57 HG1 LYS 57 37.005 -13.741 -7.914 260 HD2 LYS 57 HD2 LYS 57 37.902 -14.370 -10.090 261 HD3 LYS 57 HD1 LYS 57 37.949 -16.062 -9.593 262 HE2 LYS 57 HE2 LYS 57 35.545 -16.118 -9.406 263 HE3 LYS 57 HE1 LYS 57 35.443 -14.391 -9.744 264 HZ1 LYS 57 HZ1 LYS 57 36.248 -14.769 -11.957 265 HZ2 LYS 57 HZ2 LYS 57 34.929 -15.795 -11.684 266 HZ3 LYS 57 HZ3 LYS 57 36.504 -16.415 -11.644 267 H HIS 58 HN HIS 58 40.660 -15.958 -5.793 268 HA HIS 58 HA HIS 58 42.856 -14.263 -4.840 269 HB2 HIS 58 HB2 HIS 58 42.341 -17.224 -4.605 270 HB3 HIS 58 HB1 HIS 58 43.903 -16.510 -4.217 271 HD1 HIS 58 HD1 HIS 58 43.941 -14.825 -2.169 272 HD2 HIS 58 HD2 HIS 58 40.412 -16.967 -2.670 273 HE1 HIS 58 HE1 HIS 58 42.692 -14.597 0.005 274 HE2 HIS 58 HE2 HIS 58 40.578 -15.942 -0.299 275 H ALA 59 HN ALA 59 44.470 -13.768 -6.142 276 HA ALA 59 HA ALA 59 44.686 -15.077 -8.725 277 HB1 ALA 59 HB1 ALA 59 44.775 -12.638 -8.609 278 HB2 ALA 59 HB2 ALA 59 46.274 -13.302 -9.259 279 HB3 ALA 59 HB3 ALA 59 46.213 -12.734 -7.590 280 H GLY 60 HN GLY 60 46.900 -15.620 -9.541 281 HA2 GLY 60 HA2 GLY 60 48.471 -16.902 -7.393 282 HA3 GLY 60 HA1 GLY 60 48.322 -17.541 -9.025 283 H HIS 61 HN HIS 61 50.804 -17.229 -8.005 284 HA HIS 61 HA HIS 61 51.902 -14.673 -8.773 285 HB2 HIS 61 HB2 HIS 61 52.798 -15.938 -6.839 286 HB3 HIS 61 HB1 HIS 61 53.309 -17.219 -7.930 287 HD1 HIS 61 HD1 HIS 61 55.795 -17.026 -7.557 288 HD2 HIS 61 HD2 HIS 61 54.042 -13.408 -8.631 289 HE1 HIS 61 HE1 HIS 61 57.706 -15.465 -8.056 290 HE2 HIS 61 HE2 HIS 61 56.627 -13.316 -8.808 291 H TYR 62 HN TYR 62 50.664 -15.535 -10.930 292 HA TYR 62 HA TYR 62 52.826 -15.728 -12.820 293 HB2 TYR 62 HB2 TYR 62 52.245 -18.131 -12.341 294 HB3 TYR 62 HB1 TYR 62 50.630 -17.808 -12.963 295 HD1 TYR 62 HD1 TYR 62 54.190 -18.086 -13.845 296 HD2 TYR 62 HD2 TYR 62 50.232 -17.595 -15.331 297 HE1 TYR 62 HE1 TYR 62 54.995 -18.534 -16.126 298 HE2 TYR 62 HE2 TYR 62 51.025 -18.045 -17.612 299 HH TYR 62 HH TYR 62 53.189 -17.863 -18.875 300 H ALA 63 HN ALA 63 52.400 -14.133 -14.160 301 HA ALA 63 HA ALA 63 49.662 -13.174 -14.430 302 HB1 ALA 63 HB1 ALA 63 51.445 -11.572 -13.935 303 HB2 ALA 63 HB2 ALA 63 50.664 -11.214 -15.476 304 HB3 ALA 63 HB3 ALA 63 52.244 -11.996 -15.449 305 H ARG 64 HN ARG 64 48.503 -14.249 -15.889 306 HA ARG 64 HA ARG 64 49.263 -13.927 -18.648 307 HB2 ARG 64 HB2 ARG 64 50.245 -16.129 -18.127 308 HB3 ARG 64 HB1 ARG 64 48.671 -16.698 -17.581 309 HG2 ARG 64 HG2 ARG 64 47.769 -16.387 -19.817 310 HG3 ARG 64 HG1 ARG 64 49.328 -15.780 -20.372 311 HD2 ARG 64 HD2 ARG 64 50.353 -17.940 -19.870 312 HD3 ARG 64 HD1 ARG 64 48.800 -18.547 -19.290 313 HE ARG 64 HE ARG 64 48.321 -17.653 -21.848 314 HH11 ARG 64 HH11 ARG 64 50.419 -20.053 -20.373 315 HH12 ARG 64 HH12 ARG 64 50.469 -21.051 -21.791 316 HH21 ARG 64 HH21 ARG 64 48.390 -18.986 -23.710 317 HH22 ARG 64 HH22 ARG 64 49.328 -20.454 -23.681 318 H ASP 65 HN ASP 65 47.560 -13.576 -19.904 319 HA ASP 65 HA ASP 65 45.446 -13.485 -20.716 320 HB2 ASP 65 HB2 ASP 65 45.150 -15.831 -20.047 321 HB3 ASP 65 HB1 ASP 65 44.690 -15.318 -18.429 322 H GLY 66 HN GLY 66 44.685 -13.735 -17.253 323 HA2 GLY 66 HA2 GLY 66 43.775 -10.935 -17.388 324 HA3 GLY 66 HA1 GLY 66 42.748 -12.188 -16.706 325 H SER 67 HN SER 67 43.381 -9.995 -15.228 326 HA SER 67 HA SER 67 44.714 -11.187 -12.983 327 HB2 SER 67 HB2 SER 67 46.436 -9.386 -12.787 328 HB3 SER 67 HB1 SER 67 46.673 -10.422 -14.200 329 HG SER 67 HG SER 67 45.093 -8.187 -14.605 330 H THR 68 HN THR 68 43.474 -10.633 -11.325 331 HA THR 68 HA THR 68 41.599 -8.497 -11.465 332 HB THR 68 HB THR 68 42.388 -9.984 -8.961 333 HG1 THR 68 HG1 THR 68 40.579 -10.791 -11.020 334 HG21 THR 68 HG21 THR 68 40.043 -9.625 -8.350 335 HG22 THR 68 HG22 THR 68 39.762 -8.800 -9.883 336 HG23 THR 68 HG23 THR 68 40.841 -8.087 -8.684 337 H ALA 69 HN ALA 69 43.176 -6.804 -11.903 338 HA ALA 69 HA ALA 69 43.764 -5.330 -9.495 339 HB1 ALA 69 HB1 ALA 69 46.132 -4.969 -10.008 340 HB2 ALA 69 HB2 ALA 69 46.013 -6.095 -11.360 341 HB3 ALA 69 HB3 ALA 69 45.795 -6.674 -9.708 342 H SER 70 HN SER 70 42.649 -5.497 -12.532 343 HA SER 70 HA SER 70 43.581 -2.847 -13.374 344 HB2 SER 70 HB2 SER 70 43.773 -4.786 -14.966 345 HB3 SER 70 HB1 SER 70 42.013 -4.887 -14.974 346 HG SER 70 HG SER 70 42.130 -2.577 -15.643 347 H ASP 71 HN ASP 71 41.376 -3.811 -11.400 348 HA ASP 71 HA ASP 71 38.975 -2.738 -12.601 349 HB2 ASP 71 HB2 ASP 71 39.457 -3.806 -9.817 350 HB3 ASP 71 HB1 ASP 71 37.886 -3.410 -10.508 351 H ALA 72 HN ALA 72 40.562 -0.718 -12.714 352 HA ALA 72 HA ALA 72 40.589 0.905 -10.339 353 HB1 ALA 72 HB1 ALA 72 41.583 2.614 -11.767 354 HB2 ALA 72 HB2 ALA 72 41.230 1.641 -13.195 355 HB3 ALA 72 HB3 ALA 72 42.386 1.060 -11.996 356 H GLY 73 HN GLY 73 38.700 0.704 -13.312 357 HA2 GLY 73 HA2 GLY 73 36.856 2.703 -12.146 358 HA3 GLY 73 HA1 GLY 73 37.152 2.564 -13.876 359 H GLU 74 HN GLU 74 37.244 -0.485 -13.287 360 HA GLU 74 HA GLU 74 34.633 -1.089 -14.138 361 HB2 GLU 74 HB2 GLU 74 36.683 -2.502 -14.471 362 HB3 GLU 74 HB1 GLU 74 36.587 -2.951 -12.774 363 HG2 GLU 74 HG2 GLU 74 35.633 -4.699 -14.073 364 HG3 GLU 74 HG1 GLU 74 34.331 -3.883 -13.207 365 H THR 75 HN THR 75 36.202 -1.424 -10.998 366 HA THR 75 HA THR 75 35.503 -1.574 -8.869 367 HB THR 75 HB THR 75 33.515 -0.507 -8.121 368 HG1 THR 75 HG1 THR 75 32.605 -0.999 -10.743 369 HG21 THR 75 HG21 THR 75 35.211 1.021 -8.948 370 HG22 THR 75 HG22 THR 75 33.603 1.664 -9.281 371 HG23 THR 75 HG23 THR 75 34.540 0.921 -10.577 372 H HIS 76 HN HIS 76 34.670 -3.076 -7.466 373 HA HIS 76 HA HIS 76 32.836 -5.070 -8.649 374 HB2 HIS 76 HB2 HIS 76 35.208 -5.517 -6.839 375 HB3 HIS 76 HB1 HIS 76 33.926 -6.712 -7.000 376 HD1 HIS 76 HD1 HIS 76 34.899 -8.537 -8.402 377 HD2 HIS 76 HD2 HIS 76 35.787 -4.750 -9.876 378 HE1 HIS 76 HE1 HIS 76 36.133 -8.917 -10.562 379 HE2 HIS 76 HE2 HIS 76 36.840 -6.613 -11.321 380 H PHE 77 HN PHE 77 32.836 -2.602 -6.787 381 HA PHE 77 HA PHE 77 30.602 -3.581 -5.221 382 HB2 PHE 77 HB2 PHE 77 32.495 -3.713 -3.657 383 HB3 PHE 77 HB1 PHE 77 32.930 -2.049 -4.021 384 HD1 PHE 77 HD1 PHE 77 30.404 -4.201 -2.419 385 HD2 PHE 77 HD2 PHE 77 31.849 -0.237 -2.947 386 HE1 PHE 77 HE1 PHE 77 28.974 -3.437 -0.572 387 HE2 PHE 77 HE2 PHE 77 30.420 0.535 -1.099 388 HZ PHE 77 HZ PHE 77 28.980 -1.069 0.092 389 H ARG 78 HN ARG 78 28.987 -2.095 -5.240 390 HA ARG 78 HA ARG 78 29.582 0.672 -5.849 391 HB2 ARG 78 HB2 ARG 78 27.945 0.689 -7.752 392 HB3 ARG 78 HB1 ARG 78 29.447 -0.162 -8.081 393 HG2 ARG 78 HG2 ARG 78 28.160 -2.278 -7.413 394 HG3 ARG 78 HG1 ARG 78 26.715 -1.285 -7.604 395 HD2 ARG 78 HD2 ARG 78 28.805 -1.574 -9.748 396 HD3 ARG 78 HD1 ARG 78 27.416 -2.645 -9.618 397 HE ARG 78 HE ARG 78 26.430 -0.047 -9.659 398 HH11 ARG 78 HH11 ARG 78 28.302 -2.131 -11.768 399 HH12 ARG 78 HH12 ARG 78 27.628 -1.467 -13.230 400 HH21 ARG 78 HH21 ARG 78 25.576 0.858 -11.560 401 HH22 ARG 78 HH22 ARG 78 26.089 0.256 -13.121 402 H LEU 79 HN LEU 79 28.158 2.034 -4.974 403 HA LEU 79 HA LEU 79 25.660 0.885 -3.910 404 HB2 LEU 79 HB2 LEU 79 27.347 1.572 -2.180 405 HB3 LEU 79 HB1 LEU 79 27.237 3.211 -2.781 406 HG LEU 79 HG LEU 79 25.944 2.649 -0.655 407 HD11 LEU 79 HD11 LEU 79 24.475 3.880 -2.979 408 HD12 LEU 79 HD12 LEU 79 25.569 4.708 -1.871 409 HD13 LEU 79 HD13 LEU 79 24.038 4.061 -1.280 410 HD21 LEU 79 HD21 LEU 79 23.731 1.655 -0.973 411 HD22 LEU 79 HD22 LEU 79 25.019 0.520 -1.381 412 HD23 LEU 79 HD23 LEU 79 24.122 1.334 -2.662 413 H GLU 80 HN GLU 80 23.983 1.564 -5.020 414 HA GLU 80 HA GLU 80 24.031 4.296 -6.121 415 HB2 GLU 80 HB2 GLU 80 22.720 1.794 -7.195 416 HB3 GLU 80 HB1 GLU 80 22.390 3.405 -7.816 417 HG2 GLU 80 HG2 GLU 80 24.699 3.649 -8.498 418 HG3 GLU 80 HG1 GLU 80 25.093 2.078 -7.801 419 H VAL 81 HN VAL 81 22.696 5.615 -5.098 420 HA VAL 81 HA VAL 81 20.260 4.463 -3.930 421 HB VAL 81 HB VAL 81 21.438 5.401 -2.123 422 HG11 VAL 81 HG11 VAL 81 22.385 7.656 -2.105 423 HG12 VAL 81 HG12 VAL 81 21.915 7.863 -3.791 424 HG13 VAL 81 HG13 VAL 81 23.114 6.646 -3.354 425 HG21 VAL 81 HG21 VAL 81 19.100 6.021 -2.109 426 HG22 VAL 81 HG22 VAL 81 19.449 7.463 -3.064 427 HG23 VAL 81 HG23 VAL 81 20.071 7.322 -1.420 428 H THR 82 HN THR 82 18.524 4.837 -4.997 429 HA THR 82 HA THR 82 18.321 7.203 -6.717 430 HB THR 82 HB THR 82 17.133 4.458 -7.195 431 HG1 THR 82 HG1 THR 82 19.611 5.332 -7.596 432 HG21 THR 82 HG21 THR 82 15.818 6.278 -8.175 433 HG22 THR 82 HG22 THR 82 16.606 5.312 -9.422 434 HG23 THR 82 HG23 THR 82 17.264 6.888 -8.983 435 H SER 83 HN SER 83 16.914 8.552 -5.770 436 HA SER 83 HA SER 83 14.421 7.405 -4.695 437 HB2 SER 83 HB2 SER 83 15.560 10.157 -4.147 438 HB3 SER 83 HB1 SER 83 14.185 9.395 -3.346 439 HG SER 83 HG SER 83 15.754 8.945 -1.971 440 H ASP 84 HN ASP 84 12.999 7.384 -6.285 441 HA ASP 84 HA ASP 84 11.512 8.071 -7.844 442 HB2 ASP 84 HB2 ASP 84 12.451 10.881 -7.238 443 HB3 ASP 84 HB1 ASP 84 10.973 10.437 -8.084 444 H ALA 85 HN ALA 85 14.791 8.548 -8.118 445 HA ALA 85 HA ALA 85 16.273 8.906 -9.797 446 HB1 ALA 85 HB1 ALA 85 15.723 7.980 -11.979 447 HB2 ALA 85 HB2 ALA 85 14.020 7.896 -11.529 448 HB3 ALA 85 HB3 ALA 85 15.205 6.895 -10.689 449 H PHE 86 HN PHE 86 15.513 11.195 -9.037 450 HA PHE 86 HA PHE 86 15.243 12.801 -11.426 451 HB2 PHE 86 HB2 PHE 86 12.892 12.453 -10.720 452 HB3 PHE 86 HB1 PHE 86 13.284 13.097 -9.129 453 HD1 PHE 86 HD1 PHE 86 13.647 14.091 -12.711 454 HD2 PHE 86 HD2 PHE 86 12.703 15.271 -8.735 455 HE1 PHE 86 HE1 PHE 86 13.122 16.359 -13.513 456 HE2 PHE 86 HE2 PHE 86 12.174 17.538 -9.527 457 HZ PHE 86 HZ PHE 86 12.383 18.086 -11.918 458 H LYS 87 HN LYS 87 17.379 13.250 -10.884 459 HA LYS 87 HA LYS 87 18.150 14.036 -8.253 460 HB2 LYS 87 HB2 LYS 87 19.619 12.795 -9.768 461 HB3 LYS 87 HB1 LYS 87 19.624 14.146 -10.889 462 HG2 LYS 87 HG2 LYS 87 20.903 15.479 -9.429 463 HG3 LYS 87 HG1 LYS 87 20.650 14.368 -8.077 464 HD2 LYS 87 HD2 LYS 87 21.953 12.667 -9.153 465 HD3 LYS 87 HD1 LYS 87 22.086 13.633 -10.623 466 HE2 LYS 87 HE2 LYS 87 23.189 14.476 -7.946 467 HE3 LYS 87 HE1 LYS 87 24.130 13.651 -9.189 468 HZ1 LYS 87 HZ1 LYS 87 24.459 16.028 -9.296 469 HZ2 LYS 87 HZ2 LYS 87 22.800 16.293 -9.482 470 HZ3 LYS 87 HZ3 LYS 87 23.675 15.492 -10.698 471 H GLY 88 HN GLY 88 18.019 15.950 -7.377 472 HA2 GLY 88 HA2 GLY 88 18.188 18.343 -9.086 473 HA3 GLY 88 HA1 GLY 88 16.883 18.192 -7.918 474 H LEU 89 HN LEU 89 17.967 17.330 -5.671 475 HA LEU 89 HA LEU 89 19.618 19.519 -4.834 476 HB2 LEU 89 HB2 LEU 89 19.578 18.298 -2.600 477 HB3 LEU 89 HB1 LEU 89 18.071 18.942 -3.210 478 HG LEU 89 HG LEU 89 17.453 16.636 -3.963 479 HD11 LEU 89 HD11 LEU 89 19.888 15.814 -2.384 480 HD12 LEU 89 HD12 LEU 89 19.696 15.672 -4.131 481 HD13 LEU 89 HD13 LEU 89 18.668 14.730 -3.052 482 HD21 LEU 89 HD21 LEU 89 18.072 16.981 -1.035 483 HD22 LEU 89 HD22 LEU 89 16.925 15.830 -1.719 484 HD23 LEU 89 HD23 LEU 89 16.631 17.562 -1.870 485 H THR 90 HN THR 90 21.616 19.214 -3.584 486 HA THR 90 HA THR 90 23.615 17.999 -5.027 487 HB THR 90 HB THR 90 24.111 19.682 -3.359 488 HG1 THR 90 HG1 THR 90 26.010 18.784 -3.350 489 HG21 THR 90 HG21 THR 90 24.114 19.160 -0.957 490 HG22 THR 90 HG22 THR 90 23.397 17.585 -1.302 491 HG23 THR 90 HG23 THR 90 22.494 19.061 -1.641 492 H LEU 91 HN LEU 91 24.587 16.071 -5.095 493 HA LEU 91 HA LEU 91 22.994 13.837 -4.387 494 HB2 LEU 91 HB2 LEU 91 24.584 12.509 -5.560 495 HB3 LEU 91 HB1 LEU 91 24.351 13.992 -6.459 496 HG LEU 91 HG LEU 91 26.713 13.529 -4.631 497 HD11 LEU 91 HD11 LEU 91 27.991 13.070 -6.684 498 HD12 LEU 91 HD12 LEU 91 26.488 13.094 -7.607 499 HD13 LEU 91 HD13 LEU 91 26.750 11.854 -6.380 500 HD21 LEU 91 HD21 LEU 91 26.212 15.536 -6.830 501 HD22 LEU 91 HD22 LEU 91 27.721 15.351 -5.936 502 HD23 LEU 91 HD23 LEU 91 26.260 15.874 -5.098 503 H VAL 92 HN VAL 92 25.596 15.444 -2.813 504 HA VAL 92 HA VAL 92 26.850 13.223 -1.618 505 HB VAL 92 HB VAL 92 27.946 14.820 -0.119 506 HG11 VAL 92 HG11 VAL 92 28.806 14.465 -2.376 507 HG12 VAL 92 HG12 VAL 92 29.089 16.119 -1.835 508 HG13 VAL 92 HG13 VAL 92 27.787 15.775 -2.975 509 HG21 VAL 92 HG21 VAL 92 26.115 16.864 -1.376 510 HG22 VAL 92 HG22 VAL 92 27.477 17.220 -0.315 511 HG23 VAL 92 HG23 VAL 92 26.087 16.330 0.306 512 H LYS 93 HN LYS 93 23.927 14.861 -0.747 513 HA LYS 93 HA LYS 93 24.083 14.443 2.052 514 HB2 LYS 93 HB2 LYS 93 22.545 16.081 0.918 515 HB3 LYS 93 HB1 LYS 93 21.536 14.713 0.458 516 HG2 LYS 93 HG2 LYS 93 21.219 14.144 2.805 517 HG3 LYS 93 HG1 LYS 93 22.243 15.501 3.276 518 HD2 LYS 93 HD2 LYS 93 20.614 17.003 2.098 519 HD3 LYS 93 HD1 LYS 93 19.558 15.601 1.915 520 HE2 LYS 93 HE2 LYS 93 18.868 16.827 3.865 521 HE3 LYS 93 HE1 LYS 93 19.603 15.310 4.381 522 HZ1 LYS 93 HZ1 LYS 93 20.743 18.037 4.519 523 HZ2 LYS 93 HZ2 LYS 93 21.725 16.662 4.634 524 HZ3 LYS 93 HZ3 LYS 93 20.508 16.927 5.783 525 H ARG 94 HN ARG 94 22.545 12.565 -0.544 526 HA ARG 94 HA ARG 94 21.380 10.603 1.111 527 HB2 ARG 94 HB2 ARG 94 22.301 10.528 -1.759 528 HB3 ARG 94 HB1 ARG 94 21.527 9.156 -0.983 529 HG2 ARG 94 HG2 ARG 94 20.182 11.820 -0.979 530 HG3 ARG 94 HG1 ARG 94 20.129 10.801 -2.417 531 HD2 ARG 94 HD2 ARG 94 18.171 10.323 -1.165 532 HD3 ARG 94 HD1 ARG 94 19.257 8.951 -0.957 533 HE ARG 94 HE ARG 94 19.335 11.000 1.103 534 HH11 ARG 94 HH11 ARG 94 18.135 7.865 0.099 535 HH12 ARG 94 HH12 ARG 94 17.700 7.380 1.704 536 HH21 ARG 94 HH21 ARG 94 18.739 10.361 3.216 537 HH22 ARG 94 HH22 ARG 94 18.063 8.784 3.485 538 H HIS 95 HN HIS 95 24.551 10.931 -0.332 539 HA HIS 95 HA HIS 95 25.552 8.364 0.289 540 HB2 HIS 95 HB2 HIS 95 26.506 10.044 -1.356 541 HB3 HIS 95 HB1 HIS 95 27.146 10.921 0.026 542 HD1 HIS 95 HD1 HIS 95 28.270 8.740 -2.460 543 HD2 HIS 95 HD2 HIS 95 28.804 8.870 1.672 544 HE1 HIS 95 HE1 HIS 95 30.348 7.404 -1.997 545 HE2 HIS 95 HE2 HIS 95 30.722 7.602 0.486 546 H GLN 96 HN GLN 96 25.534 11.435 2.024 547 HA GLN 96 HA GLN 96 27.259 10.676 4.134 548 HB2 GLN 96 HB2 GLN 96 26.821 13.010 3.635 549 HB3 GLN 96 HB1 GLN 96 25.111 12.798 3.990 550 HG2 GLN 96 HG2 GLN 96 25.869 12.124 6.335 551 HG3 GLN 96 HG1 GLN 96 27.429 12.812 5.889 552 HE21 GLN 96 HE21 GLN 96 25.480 13.627 7.918 553 HE22 GLN 96 HE22 GLN 96 25.107 15.280 7.575 554 H LEU 97 HN LEU 97 23.733 10.665 3.816 555 HA LEU 97 HA LEU 97 23.171 10.285 6.533 556 HB2 LEU 97 HB2 LEU 97 21.493 9.654 4.115 557 HB3 LEU 97 HB1 LEU 97 20.896 9.695 5.764 558 HG LEU 97 HG LEU 97 22.049 12.043 4.250 559 HD11 LEU 97 HD11 LEU 97 19.778 12.923 4.322 560 HD12 LEU 97 HD12 LEU 97 19.221 11.443 5.102 561 HD13 LEU 97 HD13 LEU 97 19.839 11.391 3.450 562 HD21 LEU 97 HD21 LEU 97 21.374 13.375 6.166 563 HD22 LEU 97 HD22 LEU 97 22.536 12.140 6.650 564 HD23 LEU 97 HD23 LEU 97 20.821 11.924 7.002 565 H ILE 98 HN ILE 98 23.965 7.944 4.077 566 HA ILE 98 HA ILE 98 23.279 5.782 5.947 567 HB ILE 98 HB ILE 98 23.726 4.235 4.064 568 HG12 ILE 98 HG12 ILE 98 23.851 6.725 2.351 569 HG13 ILE 98 HG11 ILE 98 25.275 5.816 2.850 570 HG21 ILE 98 HG21 ILE 98 21.692 4.807 2.792 571 HG22 ILE 98 HG22 ILE 98 21.679 6.391 3.569 572 HG23 ILE 98 HG23 ILE 98 21.470 4.933 4.537 573 HD11 ILE 98 HD11 ILE 98 24.414 3.849 1.685 574 HD12 ILE 98 HD12 ILE 98 24.611 5.227 0.602 575 HD13 ILE 98 HD13 ILE 98 23.004 4.777 1.174 576 H TYR 99 HN TYR 99 25.959 7.216 4.187 577 HA TYR 99 HA TYR 99 28.199 6.864 4.158 578 HB2 TYR 99 HB2 TYR 99 27.688 7.678 6.550 579 HB3 TYR 99 HB1 TYR 99 27.961 6.008 7.036 580 HD1 TYR 99 HD1 TYR 99 29.585 8.738 5.092 581 HD2 TYR 99 HD2 TYR 99 30.119 5.363 7.620 582 HE1 TYR 99 HE1 TYR 99 32.002 9.186 5.165 583 HE2 TYR 99 HE2 TYR 99 32.538 5.795 7.703 584 HH TYR 99 HH TYR 99 34.257 6.921 6.459 585 H GLY 100 HN GLY 100 26.930 4.753 3.058 586 HA2 GLY 100 HA2 GLY 100 27.823 2.283 4.271 587 HA3 GLY 100 HA1 GLY 100 26.936 2.444 2.763 588 H LEU 101 HN LEU 101 28.784 4.315 1.556 589 HA LEU 101 HA LEU 101 30.611 2.400 0.462 590 HB2 LEU 101 HB2 LEU 101 29.463 4.385 -0.727 591 HB3 LEU 101 HB1 LEU 101 30.720 5.373 -0.008 592 HG LEU 101 HG LEU 101 32.368 3.738 -1.139 593 HD11 LEU 101 HD11 LEU 101 30.758 2.024 -1.724 594 HD12 LEU 101 HD12 LEU 101 31.505 2.690 -3.176 595 HD13 LEU 101 HD13 LEU 101 29.871 3.174 -2.724 596 HD21 LEU 101 HD21 LEU 101 30.687 5.630 -2.775 597 HD22 LEU 101 HD22 LEU 101 32.266 5.000 -3.244 598 HD23 LEU 101 HD23 LEU 101 32.118 6.046 -1.831 599 H LEU 102 HN LEU 102 32.977 2.912 0.249 600 HA LEU 102 HA LEU 102 35.032 3.311 1.113 601 HB2 LEU 102 HB2 LEU 102 34.181 5.657 1.393 602 HB3 LEU 102 HB1 LEU 102 33.696 5.240 3.023 603 HG LEU 102 HG LEU 102 36.078 4.765 3.566 604 HD11 LEU 102 HD11 LEU 102 36.586 5.925 0.830 605 HD12 LEU 102 HD12 LEU 102 36.869 4.255 1.318 606 HD13 LEU 102 HD13 LEU 102 37.814 5.557 2.041 607 HD21 LEU 102 HD21 LEU 102 36.786 7.123 3.607 608 HD22 LEU 102 HD22 LEU 102 35.118 6.906 4.140 609 HD23 LEU 102 HD23 LEU 102 35.454 7.521 2.522 610 H SER 103 HN SER 103 33.686 1.103 1.892 611 HA SER 103 HA SER 103 34.897 0.545 4.456 612 HB2 SER 103 HB2 SER 103 31.896 0.328 4.109 613 HB3 SER 103 HB1 SER 103 32.798 -0.358 5.459 614 HG SER 103 HG SER 103 33.086 2.371 4.854 615 H ASP 104 HN ASP 104 32.348 -0.887 2.384 616 HA ASP 104 HA ASP 104 33.377 -3.516 2.971 617 HB2 ASP 104 HB2 ASP 104 30.929 -2.909 2.823 618 HB3 ASP 104 HB1 ASP 104 31.137 -2.830 1.076 619 H GLU 105 HN GLU 105 33.720 -1.264 0.354 620 HA GLU 105 HA GLU 105 34.379 -3.191 -1.641 621 HB2 GLU 105 HB2 GLU 105 35.296 -1.312 -2.934 622 HB3 GLU 105 HB1 GLU 105 33.678 -0.988 -2.340 623 HG2 GLU 105 HG2 GLU 105 36.038 -0.017 -0.798 624 HG3 GLU 105 HG1 GLU 105 35.511 0.839 -2.247 625 H PHE 106 HN PHE 106 36.167 -1.619 0.888 626 HA PHE 106 HA PHE 106 38.779 -2.169 -0.005 627 HB2 PHE 106 HB2 PHE 106 38.176 -0.672 1.910 628 HB3 PHE 106 HB1 PHE 106 37.814 -2.106 2.863 629 HD1 PHE 106 HD1 PHE 106 39.505 -3.228 4.016 630 HD2 PHE 106 HD2 PHE 106 40.526 -0.392 1.016 631 HE1 PHE 106 HE1 PHE 106 41.865 -3.372 4.692 632 HE2 PHE 106 HE2 PHE 106 42.891 -0.530 1.683 633 HZ PHE 106 HZ PHE 106 43.560 -2.025 3.521 634 H LYS 107 HN LYS 107 36.309 -4.151 1.355 635 HA LYS 107 HA LYS 107 37.826 -6.411 2.118 636 HB2 LYS 107 HB2 LYS 107 35.473 -6.009 2.764 637 HB3 LYS 107 HB1 LYS 107 34.987 -6.226 1.091 638 HG2 LYS 107 HG2 LYS 107 35.775 -8.559 1.195 639 HG3 LYS 107 HG1 LYS 107 36.164 -8.321 2.903 640 HD2 LYS 107 HD2 LYS 107 33.997 -9.359 2.739 641 HD3 LYS 107 HD1 LYS 107 33.789 -7.699 3.302 642 HE2 LYS 107 HE2 LYS 107 33.432 -7.119 0.826 643 HE3 LYS 107 HE1 LYS 107 33.215 -8.852 0.591 644 HZ1 LYS 107 HZ1 LYS 107 31.552 -6.983 2.162 645 HZ2 LYS 107 HZ2 LYS 107 31.501 -8.653 2.452 646 HZ3 LYS 107 HZ3 LYS 107 31.079 -8.048 0.929 647 H ALA 108 HN ALA 108 36.834 -5.132 -0.930 648 HA ALA 108 HA ALA 108 37.469 -7.599 -2.352 649 HB1 ALA 108 HB1 ALA 108 36.663 -6.420 -4.337 650 HB2 ALA 108 HB2 ALA 108 36.448 -4.955 -3.379 651 HB3 ALA 108 HB3 ALA 108 35.475 -6.384 -3.034 652 H GLY 109 HN GLY 109 38.567 -4.229 -2.130 653 HA2 GLY 109 HA2 GLY 109 40.912 -3.755 -1.972 654 HA3 GLY 109 HA1 GLY 109 41.232 -5.175 -2.956 655 H LEU 110 HN LEU 110 38.749 -3.906 -4.528 656 HA LEU 110 HA LEU 110 40.458 -2.233 -6.223 657 HB2 LEU 110 HB2 LEU 110 38.450 -2.454 -7.845 658 HB3 LEU 110 HB1 LEU 110 39.582 -3.772 -7.672 659 HG LEU 110 HG LEU 110 37.114 -4.358 -7.844 660 HD11 LEU 110 HD11 LEU 110 38.774 -5.974 -7.153 661 HD12 LEU 110 HD12 LEU 110 37.289 -6.182 -6.225 662 HD13 LEU 110 HD13 LEU 110 38.685 -5.391 -5.490 663 HD21 LEU 110 HD21 LEU 110 36.223 -2.676 -6.332 664 HD22 LEU 110 HD22 LEU 110 37.111 -3.393 -4.988 665 HD23 LEU 110 HD23 LEU 110 35.818 -4.300 -5.774 666 H HIS 111 HN HIS 111 38.757 -0.624 -7.524 667 HA HIS 111 HA HIS 111 38.023 1.253 -5.453 668 HB2 HIS 111 HB2 HIS 111 38.005 1.402 -8.465 669 HB3 HIS 111 HB1 HIS 111 37.367 2.693 -7.454 670 HD1 HIS 111 HD1 HIS 111 39.727 3.189 -9.332 671 HD2 HIS 111 HD2 HIS 111 40.121 2.134 -5.331 672 HE1 HIS 111 HE1 HIS 111 42.000 4.011 -8.638 673 HE2 HIS 111 HE2 HIS 111 42.266 3.269 -6.245 674 H ALA 112 HN ALA 112 35.914 2.444 -5.652 675 HA ALA 112 HA ALA 112 33.728 0.670 -6.510 676 HB1 ALA 112 HB1 ALA 112 33.825 2.175 -3.897 677 HB2 ALA 112 HB2 ALA 112 34.018 0.433 -4.088 678 HB3 ALA 112 HB3 ALA 112 32.480 1.198 -4.487 679 H LEU 113 HN LEU 113 31.753 1.756 -7.011 680 HA LEU 113 HA LEU 113 32.057 4.656 -7.363 681 HB2 LEU 113 HB2 LEU 113 30.756 4.542 -9.422 682 HB3 LEU 113 HB1 LEU 113 32.217 3.586 -9.540 683 HG LEU 113 HG LEU 113 30.574 1.613 -8.881 684 HD11 LEU 113 HD11 LEU 113 28.609 3.012 -8.555 685 HD12 LEU 113 HD12 LEU 113 28.375 1.912 -9.913 686 HD13 LEU 113 HD13 LEU 113 28.746 3.610 -10.210 687 HD21 LEU 113 HD21 LEU 113 30.748 2.844 -11.629 688 HD22 LEU 113 HD22 LEU 113 30.266 1.185 -11.276 689 HD23 LEU 113 HD23 LEU 113 31.905 1.723 -10.910 690 H SER 114 HN SER 114 30.376 5.919 -6.755 691 HA SER 114 HA SER 114 27.972 4.531 -5.789 692 HB2 SER 114 HB2 SER 114 29.497 5.270 -3.927 693 HB3 SER 114 HB1 SER 114 29.241 6.931 -4.456 694 HG SER 114 HG SER 114 26.970 5.374 -4.005 695 H MET 115 HN MET 115 26.313 5.121 -6.957 696 HA MET 115 HA MET 115 26.219 7.840 -8.073 697 HB2 MET 115 HB2 MET 115 24.753 5.318 -8.879 698 HB3 MET 115 HB1 MET 115 24.466 6.898 -9.592 699 HG2 MET 115 HG2 MET 115 26.782 6.953 -10.385 700 HG3 MET 115 HG1 MET 115 27.051 5.357 -9.684 701 HE1 MET 115 HE1 MET 115 27.650 6.108 -12.739 702 HE2 MET 115 HE2 MET 115 27.027 4.674 -13.554 703 HE3 MET 115 HE3 MET 115 27.944 4.510 -12.056 704 H THR 116 HN THR 116 24.866 9.227 -7.143 705 HA THR 116 HA THR 116 22.633 8.129 -5.592 706 HB THR 116 HB THR 116 24.019 8.709 -3.855 707 HG1 THR 116 HG1 THR 116 22.818 11.238 -4.298 708 HG21 THR 116 HG21 THR 116 25.827 9.654 -5.186 709 HG22 THR 116 HG22 THR 116 25.479 10.667 -3.784 710 HG23 THR 116 HG23 THR 116 24.911 11.149 -5.383 711 H THR 117 HN THR 117 20.863 8.682 -6.570 712 HA THR 117 HA THR 117 20.505 11.477 -7.414 713 HB THR 117 HB THR 117 20.558 10.184 -9.426 714 HG1 THR 117 HG1 THR 117 18.480 10.587 -10.227 715 HG21 THR 117 HG21 THR 117 19.129 8.251 -9.830 716 HG22 THR 117 HG22 THR 117 18.503 8.363 -8.185 717 HG23 THR 117 HG23 THR 117 20.201 7.971 -8.456 718 H LYS 118 HN LYS 118 18.887 12.514 -6.457 719 HA LYS 118 HA LYS 118 16.582 11.076 -5.426 720 HB2 LYS 118 HB2 LYS 118 18.163 11.148 -3.516 721 HB3 LYS 118 HB1 LYS 118 18.239 12.900 -3.666 722 HG2 LYS 118 HG2 LYS 118 15.628 12.706 -3.427 723 HG3 LYS 118 HG1 LYS 118 16.037 11.177 -2.653 724 HD2 LYS 118 HD2 LYS 118 17.346 12.287 -0.996 725 HD3 LYS 118 HD1 LYS 118 17.220 13.828 -1.850 726 HE2 LYS 118 HE2 LYS 118 15.016 12.301 -0.479 727 HE3 LYS 118 HE1 LYS 118 15.687 13.862 -0.009 728 HZ1 LYS 118 HZ1 LYS 118 14.891 14.659 -2.270 729 HZ2 LYS 118 HZ2 LYS 118 13.694 14.357 -1.111 730 HZ3 LYS 118 HZ3 LYS 118 13.977 13.236 -2.348 731 H THR 119 HN THR 119 14.749 12.344 -5.250 732 HA THR 119 HA THR 119 14.376 14.620 -6.761 733 HB THR 119 HB THR 119 12.437 14.920 -4.921 734 HG1 THR 119 HG1 THR 119 12.262 12.284 -4.631 735 HG21 THR 119 HG21 THR 119 11.074 13.400 -6.265 736 HG22 THR 119 HG22 THR 119 12.532 12.698 -6.965 737 HG23 THR 119 HG23 THR 119 12.116 14.379 -7.298 738 HA PRO 120 HA PRO 120 16.192 17.962 -4.573 739 HB2 PRO 120 HB2 PRO 120 14.493 19.992 -5.215 740 HB3 PRO 120 HB1 PRO 120 15.662 19.302 -6.347 741 HG2 PRO 120 HG2 PRO 120 12.733 18.740 -6.069 742 HG3 PRO 120 HG1 PRO 120 13.691 18.982 -7.543 743 HD2 PRO 120 HD2 PRO 120 12.992 16.525 -6.686 744 HD3 PRO 120 HD1 PRO 120 14.543 16.833 -7.496 745 H ALA 121 HN ALA 121 15.352 20.058 -3.267 746 HA ALA 121 HA ALA 121 14.134 18.926 -0.905 747 HB1 ALA 121 HB1 ALA 121 15.108 21.738 -1.398 748 HB2 ALA 121 HB2 ALA 121 16.079 20.418 -0.745 749 HB3 ALA 121 HB3 ALA 121 14.697 21.030 0.164 750 H GLU 122 HN GLU 122 12.990 20.447 -3.642 751 HA GLU 122 HA GLU 122 10.655 21.609 -2.366 752 HB2 GLU 122 HB2 GLU 122 11.389 21.330 -5.291 753 HB3 GLU 122 HB1 GLU 122 9.940 22.124 -4.701 754 HG2 GLU 122 HG2 GLU 122 11.441 23.849 -5.182 755 HG3 GLU 122 HG1 GLU 122 11.474 23.685 -3.428 756 H GLN 123 HN GLN 123 9.230 20.181 -1.633 757 HA GLN 123 HA GLN 123 8.940 17.587 -2.881 758 HB2 GLN 123 HB2 GLN 123 9.014 17.883 -0.407 759 HB3 GLN 123 HB1 GLN 123 7.496 18.762 -0.497 760 HG2 GLN 123 HG2 GLN 123 6.410 16.749 -1.401 761 HG3 GLN 123 HG1 GLN 123 7.933 15.875 -1.232 762 HE21 GLN 123 HE21 GLN 123 5.260 17.325 0.438 763 HE22 GLN 123 HE22 GLN 123 5.576 16.626 1.988 Start of MODEL 8 1 H MET 24 HT3 MET 24 2.625 2.537 -1.310 2 HA MET 24 HA MET 24 4.681 1.511 -1.930 3 HB2 MET 24 HB2 MET 24 4.773 4.351 -0.949 4 HB3 MET 24 HB1 MET 24 6.161 3.621 -1.741 5 HG2 MET 24 HG2 MET 24 4.881 4.889 -3.328 6 HG3 MET 24 HG1 MET 24 4.796 3.175 -3.719 7 HE1 MET 24 HE1 MET 24 1.313 4.478 -4.896 8 HE2 MET 24 HE2 MET 24 2.745 3.549 -5.343 9 HE3 MET 24 HE3 MET 24 2.878 5.278 -5.021 10 H ALA 25 HN ALA 25 5.824 -0.011 -0.965 11 HA ALA 25 HA ALA 25 7.852 0.657 0.923 12 HB1 ALA 25 HB1 ALA 25 7.103 -0.760 2.774 13 HB2 ALA 25 HB2 ALA 25 5.581 -1.054 1.931 14 HB3 ALA 25 HB3 ALA 25 5.981 0.571 2.488 15 H GLU 26 HN GLU 26 9.374 -0.395 -0.237 16 HA GLU 26 HA GLU 26 8.884 -3.225 -0.858 17 HB2 GLU 26 HB2 GLU 26 10.747 -3.007 -2.491 18 HB3 GLU 26 HB1 GLU 26 9.368 -1.980 -2.859 19 HG2 GLU 26 HG2 GLU 26 10.528 -0.056 -1.963 20 HG3 GLU 26 HG1 GLU 26 11.899 -1.069 -1.510 21 H HIS 27 HN HIS 27 10.165 -4.762 -0.020 22 HA HIS 27 HA HIS 27 12.073 -3.886 2.021 23 HB2 HIS 27 HB2 HIS 27 10.628 -6.503 1.597 24 HB3 HIS 27 HB1 HIS 27 11.893 -6.287 2.802 25 HD1 HIS 27 HD1 HIS 27 8.333 -5.466 2.068 26 HD2 HIS 27 HD2 HIS 27 11.158 -4.717 5.029 27 HE1 HIS 27 HE1 HIS 27 7.040 -4.562 4.029 28 HE2 HIS 27 HE2 HIS 27 8.795 -3.938 5.737 29 H GLN 28 HN GLN 28 14.171 -4.111 1.743 30 HA GLN 28 HA GLN 28 15.157 -6.101 -0.186 31 HB2 GLN 28 HB2 GLN 28 15.287 -3.781 -1.099 32 HB3 GLN 28 HB1 GLN 28 16.308 -3.335 0.260 33 HG2 GLN 28 HG2 GLN 28 17.986 -4.963 -0.479 34 HG3 GLN 28 HG1 GLN 28 16.964 -5.373 -1.856 35 HE21 GLN 28 HE21 GLN 28 18.515 -4.729 -3.349 36 HE22 GLN 28 HE22 GLN 28 18.896 -3.063 -3.634 37 H LEU 29 HN LEU 29 15.751 -7.603 1.322 38 HA LEU 29 HA LEU 29 17.736 -6.770 3.337 39 HB2 LEU 29 HB2 LEU 29 15.642 -8.938 3.534 40 HB3 LEU 29 HB1 LEU 29 16.964 -8.762 4.665 41 HG LEU 29 HG LEU 29 15.094 -7.831 5.727 42 HD11 LEU 29 HD11 LEU 29 15.632 -5.459 5.968 43 HD12 LEU 29 HD12 LEU 29 16.657 -5.551 4.535 44 HD13 LEU 29 HD13 LEU 29 17.078 -6.468 5.980 45 HD21 LEU 29 HD21 LEU 29 14.531 -6.232 3.237 46 HD22 LEU 29 HD22 LEU 29 13.620 -6.171 4.745 47 HD23 LEU 29 HD23 LEU 29 13.633 -7.648 3.783 48 H GLY 30 HN GLY 30 19.211 -8.583 4.000 49 HA2 GLY 30 HA2 GLY 30 19.965 -10.872 3.269 50 HA3 GLY 30 HA1 GLY 30 19.884 -10.221 1.637 51 HA PRO 31 HA PRO 31 23.580 -8.119 4.035 52 HB2 PRO 31 HB2 PRO 31 24.411 -10.280 5.833 53 HB3 PRO 31 HB1 PRO 31 24.133 -8.573 6.191 54 HG2 PRO 31 HG2 PRO 31 22.474 -10.507 7.068 55 HG3 PRO 31 HG1 PRO 31 21.888 -8.895 6.617 56 HD2 PRO 31 HD2 PRO 31 21.804 -11.450 5.047 57 HD3 PRO 31 HD1 PRO 31 20.549 -10.205 5.238 58 H ILE 32 HN ILE 32 24.478 -8.486 1.996 59 HA ILE 32 HA ILE 32 25.911 -10.992 1.563 60 HB ILE 32 HB ILE 32 26.296 -10.162 -0.732 61 HG12 ILE 32 HG12 ILE 32 24.579 -7.821 0.129 62 HG13 ILE 32 HG11 ILE 32 26.301 -7.743 -0.214 63 HG21 ILE 32 HG21 ILE 32 24.354 -11.534 -0.260 64 HG22 ILE 32 HG22 ILE 32 23.965 -10.325 -1.485 65 HG23 ILE 32 HG23 ILE 32 23.422 -10.103 0.178 66 HD11 ILE 32 HD11 ILE 32 24.128 -8.411 -2.183 67 HD12 ILE 32 HD12 ILE 32 25.856 -8.384 -2.537 68 HD13 ILE 32 HD13 ILE 32 25.025 -6.897 -2.076 69 H ALA 33 HN ALA 33 26.528 -7.771 2.533 70 HA ALA 33 HA ALA 33 29.353 -8.261 2.725 71 HB1 ALA 33 HB1 ALA 33 29.185 -7.523 0.388 72 HB2 ALA 33 HB2 ALA 33 30.073 -6.363 1.376 73 HB3 ALA 33 HB3 ALA 33 28.401 -6.035 0.924 74 H GLY 34 HN GLY 34 30.477 -6.363 3.765 75 HA2 GLY 34 HA2 GLY 34 29.086 -5.563 6.066 76 HA3 GLY 34 HA1 GLY 34 30.614 -4.893 5.517 77 H ALA 35 HN ALA 35 29.727 -3.838 3.063 78 HA ALA 35 HA ALA 35 28.927 -1.281 3.868 79 HB1 ALA 35 HB1 ALA 35 28.767 -2.465 1.101 80 HB2 ALA 35 HB2 ALA 35 30.207 -1.747 1.824 81 HB3 ALA 35 HB3 ALA 35 28.786 -0.750 1.508 82 H ILE 36 HN ILE 36 27.009 -4.047 2.982 83 HA ILE 36 HA ILE 36 24.711 -2.705 2.083 84 HB ILE 36 HB ILE 36 25.320 -5.231 1.928 85 HG12 ILE 36 HG12 ILE 36 22.444 -4.489 2.480 86 HG13 ILE 36 HG11 ILE 36 23.299 -3.991 1.023 87 HG21 ILE 36 HG21 ILE 36 25.371 -5.660 4.333 88 HG22 ILE 36 HG22 ILE 36 24.139 -6.638 3.534 89 HG23 ILE 36 HG23 ILE 36 23.671 -5.206 4.450 90 HD11 ILE 36 HD11 ILE 36 23.539 -6.224 0.296 91 HD12 ILE 36 HD12 ILE 36 21.859 -6.023 0.799 92 HD13 ILE 36 HD13 ILE 36 23.004 -6.858 1.851 93 H LYS 37 HN LYS 37 25.911 -3.238 5.285 94 HA LYS 37 HA LYS 37 23.602 -2.924 6.807 95 HB2 LYS 37 HB2 LYS 37 26.414 -1.947 7.319 96 HB3 LYS 37 HB1 LYS 37 25.136 -1.918 8.524 97 HG2 LYS 37 HG2 LYS 37 26.111 -4.420 7.164 98 HG3 LYS 37 HG1 LYS 37 26.702 -3.839 8.721 99 HD2 LYS 37 HD2 LYS 37 23.851 -4.587 8.071 100 HD3 LYS 37 HD1 LYS 37 24.989 -5.557 9.010 101 HE2 LYS 37 HE2 LYS 37 25.138 -3.725 10.657 102 HE3 LYS 37 HE1 LYS 37 23.935 -2.824 9.736 103 HZ1 LYS 37 HZ1 LYS 37 23.564 -5.393 11.168 104 HZ2 LYS 37 HZ2 LYS 37 22.428 -4.770 10.078 105 HZ3 LYS 37 HZ3 LYS 37 22.808 -3.906 11.490 106 H SER 38 HN SER 38 25.467 -0.575 5.017 107 HA SER 38 HA SER 38 24.482 1.762 6.226 108 HB2 SER 38 HB2 SER 38 25.528 1.343 3.421 109 HB3 SER 38 HB1 SER 38 25.360 2.898 4.239 110 HG SER 38 HG SER 38 27.181 2.535 5.194 111 H LYS 39 HN LYS 39 23.393 0.041 3.282 112 HA LYS 39 HA LYS 39 21.385 1.896 2.601 113 HB2 LYS 39 HB2 LYS 39 20.422 0.163 1.175 114 HB3 LYS 39 HB1 LYS 39 22.168 0.238 0.986 115 HG2 LYS 39 HG2 LYS 39 22.500 -1.806 1.925 116 HG3 LYS 39 HG1 LYS 39 21.058 -1.702 2.934 117 HD2 LYS 39 HD2 LYS 39 20.793 -1.887 -0.040 118 HD3 LYS 39 HD1 LYS 39 21.110 -3.340 0.908 119 HE2 LYS 39 HE2 LYS 39 18.758 -3.210 0.668 120 HE3 LYS 39 HE1 LYS 39 19.112 -2.714 2.320 121 HZ1 LYS 39 HZ1 LYS 39 18.917 -0.389 1.588 122 HZ2 LYS 39 HZ2 LYS 39 17.485 -1.255 1.354 123 HZ3 LYS 39 HZ3 LYS 39 18.489 -0.918 0.036 124 H VAL 40 HN VAL 40 21.489 -0.621 4.947 125 HA VAL 40 HA VAL 40 18.794 -1.229 5.259 126 HB VAL 40 HB VAL 40 21.014 -1.210 7.305 127 HG11 VAL 40 HG11 VAL 40 18.890 -1.115 8.480 128 HG12 VAL 40 HG12 VAL 40 19.583 -2.731 8.623 129 HG13 VAL 40 HG13 VAL 40 18.261 -2.435 7.496 130 HG21 VAL 40 HG21 VAL 40 21.033 -3.632 6.897 131 HG22 VAL 40 HG22 VAL 40 21.400 -2.707 5.443 132 HG23 VAL 40 HG23 VAL 40 19.801 -3.421 5.652 133 H GLU 41 HN GLU 41 20.659 1.471 6.652 134 HA GLU 41 HA GLU 41 18.674 2.274 8.490 135 HB2 GLU 41 HB2 GLU 41 19.893 4.338 8.727 136 HB3 GLU 41 HB1 GLU 41 21.025 3.004 8.628 137 HG2 GLU 41 HG2 GLU 41 22.045 4.585 7.322 138 HG3 GLU 41 HG1 GLU 41 21.170 3.649 6.115 139 H ALA 42 HN ALA 42 19.121 2.912 5.113 140 HA ALA 42 HA ALA 42 17.365 5.083 4.825 141 HB1 ALA 42 HB1 ALA 42 17.391 4.568 2.453 142 HB2 ALA 42 HB2 ALA 42 18.133 3.004 2.790 143 HB3 ALA 42 HB3 ALA 42 19.011 4.492 3.142 144 H ALA 43 HN ALA 43 16.711 1.793 5.439 145 HA ALA 43 HA ALA 43 14.414 1.358 3.888 146 HB1 ALA 43 HB1 ALA 43 13.961 -0.528 5.326 147 HB2 ALA 43 HB2 ALA 43 15.079 0.095 6.540 148 HB3 ALA 43 HB3 ALA 43 15.687 -0.436 4.972 149 H LEU 44 HN LEU 44 14.822 3.212 6.749 150 HA LEU 44 HA LEU 44 12.138 3.162 7.670 151 HB2 LEU 44 HB2 LEU 44 14.427 5.066 8.082 152 HB3 LEU 44 HB1 LEU 44 12.836 5.405 8.731 153 HG LEU 44 HG LEU 44 14.149 4.456 10.477 154 HD11 LEU 44 HD11 LEU 44 12.249 2.388 9.395 155 HD12 LEU 44 HD12 LEU 44 11.839 3.754 10.433 156 HD13 LEU 44 HD13 LEU 44 12.865 2.457 11.045 157 HD21 LEU 44 HD21 LEU 44 15.187 2.245 10.321 158 HD22 LEU 44 HD22 LEU 44 15.873 3.370 9.150 159 HD23 LEU 44 HD23 LEU 44 14.720 2.145 8.624 160 H SER 45 HN SER 45 13.422 4.375 4.851 161 HA SER 45 HA SER 45 11.014 5.986 4.406 162 HB2 SER 45 HB2 SER 45 13.806 6.817 3.556 163 HB3 SER 45 HB1 SER 45 12.313 7.703 3.240 164 HG SER 45 HG SER 45 12.436 7.235 5.846 165 HA PRO 46 HA PRO 46 10.666 3.393 0.839 166 HB2 PRO 46 HB2 PRO 46 9.366 5.717 -0.459 167 HB3 PRO 46 HB1 PRO 46 8.744 4.085 -0.186 168 HG2 PRO 46 HG2 PRO 46 7.857 6.144 1.259 169 HG3 PRO 46 HG1 PRO 46 8.110 4.550 1.996 170 HD2 PRO 46 HD2 PRO 46 9.834 6.999 2.133 171 HD3 PRO 46 HD1 PRO 46 9.421 5.840 3.414 172 H THR 47 HN THR 47 12.616 3.096 -0.098 173 HA THR 47 HA THR 47 13.283 4.752 -2.356 174 HB THR 47 HB THR 47 14.399 5.923 -0.450 175 HG1 THR 47 HG1 THR 47 15.326 5.613 -2.726 176 HG21 THR 47 HG21 THR 47 14.859 4.003 0.978 177 HG22 THR 47 HG22 THR 47 16.349 4.871 0.610 178 HG23 THR 47 HG23 THR 47 15.982 3.361 -0.222 179 H HIS 48 HN HIS 48 15.307 3.779 -3.464 180 HA HIS 48 HA HIS 48 15.352 0.868 -3.034 181 HB2 HIS 48 HB2 HIS 48 13.857 1.383 -4.924 182 HB3 HIS 48 HB1 HIS 48 15.153 2.281 -5.706 183 HD1 HIS 48 HD1 HIS 48 14.070 -1.212 -4.864 184 HD2 HIS 48 HD2 HIS 48 17.024 0.731 -7.065 185 HE1 HIS 48 HE1 HIS 48 15.216 -3.008 -6.213 186 HE2 HIS 48 HE2 HIS 48 17.044 -1.824 -7.486 187 H PHE 49 HN PHE 49 17.328 -0.019 -3.072 188 HA PHE 49 HA PHE 49 19.578 1.681 -3.927 189 HB2 PHE 49 HB2 PHE 49 19.314 -0.342 -1.723 190 HB3 PHE 49 HB1 PHE 49 20.892 -0.009 -2.424 191 HD1 PHE 49 HD1 PHE 49 22.147 1.772 -1.687 192 HD2 PHE 49 HD2 PHE 49 17.994 1.632 -0.789 193 HE1 PHE 49 HE1 PHE 49 22.410 3.706 -0.195 194 HE2 PHE 49 HE2 PHE 49 18.248 3.566 0.701 195 HZ PHE 49 HZ PHE 49 20.458 4.608 1.002 196 H LYS 50 HN LYS 50 20.680 1.025 -5.641 197 HA LYS 50 HA LYS 50 20.680 -1.850 -6.275 198 HB2 LYS 50 HB2 LYS 50 19.951 -0.368 -8.118 199 HB3 LYS 50 HB1 LYS 50 21.474 0.506 -8.008 200 HG2 LYS 50 HG2 LYS 50 22.684 -1.524 -8.636 201 HG3 LYS 50 HG1 LYS 50 21.154 -2.397 -8.752 202 HD2 LYS 50 HD2 LYS 50 20.430 -0.838 -10.516 203 HD3 LYS 50 HD1 LYS 50 21.991 -0.021 -10.413 204 HE2 LYS 50 HE2 LYS 50 23.126 -2.075 -11.065 205 HE3 LYS 50 HE1 LYS 50 21.582 -2.923 -11.131 206 HZ1 LYS 50 HZ1 LYS 50 22.426 -0.659 -12.861 207 HZ2 LYS 50 HZ2 LYS 50 20.889 -1.380 -12.894 208 HZ3 LYS 50 HZ3 LYS 50 22.259 -2.282 -13.329 209 H LEU 51 HN LEU 51 22.354 -2.857 -5.449 210 HA LEU 51 HA LEU 51 24.921 -1.438 -5.327 211 HB2 LEU 51 HB2 LEU 51 23.971 -1.453 -3.097 212 HB3 LEU 51 HB1 LEU 51 23.685 -3.178 -3.192 213 HG LEU 51 HG LEU 51 26.509 -2.279 -3.463 214 HD11 LEU 51 HD11 LEU 51 25.018 -2.258 -0.838 215 HD12 LEU 51 HD12 LEU 51 25.702 -0.851 -1.651 216 HD13 LEU 51 HD13 LEU 51 26.765 -2.114 -1.029 217 HD21 LEU 51 HD21 LEU 51 25.806 -4.666 -3.530 218 HD22 LEU 51 HD22 LEU 51 25.220 -4.499 -1.871 219 HD23 LEU 51 HD23 LEU 51 26.937 -4.304 -2.226 220 H ILE 52 HN ILE 52 26.348 -2.437 -6.554 221 HA ILE 52 HA ILE 52 26.343 -5.375 -6.476 222 HB ILE 52 HB ILE 52 27.404 -5.382 -8.721 223 HG12 ILE 52 HG12 ILE 52 26.524 -2.497 -8.896 224 HG13 ILE 52 HG11 ILE 52 28.190 -2.995 -8.630 225 HG21 ILE 52 HG21 ILE 52 25.333 -4.933 -9.984 226 HG22 ILE 52 HG22 ILE 52 24.659 -4.152 -8.553 227 HG23 ILE 52 HG23 ILE 52 25.053 -5.870 -8.517 228 HD11 ILE 52 HD11 ILE 52 27.773 -2.429 -10.961 229 HD12 ILE 52 HD12 ILE 52 26.524 -3.670 -11.041 230 HD13 ILE 52 HD13 ILE 52 28.207 -4.130 -10.782 231 H ASN 53 HN ASN 53 27.994 -6.110 -5.412 232 HA ASN 53 HA ASN 53 30.514 -4.613 -5.501 233 HB2 ASN 53 HB2 ASN 53 29.684 -4.231 -3.316 234 HB3 ASN 53 HB1 ASN 53 29.174 -5.909 -3.127 235 HD21 ASN 53 HD21 ASN 53 31.828 -3.683 -3.053 236 HD22 ASN 53 HD22 ASN 53 32.959 -4.745 -2.277 237 H ASP 54 HN ASP 54 31.558 -5.838 -6.969 238 HA ASP 54 HA ASP 54 31.901 -8.657 -6.273 239 HB2 ASP 54 HB2 ASP 54 31.482 -8.239 -8.653 240 HB3 ASP 54 HB1 ASP 54 32.883 -7.169 -8.718 241 H SER 55 HN SER 55 32.986 -8.043 -4.345 242 HA SER 55 HA SER 55 35.498 -6.803 -4.294 243 HB2 SER 55 HB2 SER 55 33.827 -8.072 -2.448 244 HB3 SER 55 HB1 SER 55 35.272 -9.085 -2.479 245 HG SER 55 HG SER 55 35.015 -6.351 -1.788 246 H HIS 56 HN HIS 56 37.406 -7.459 -5.128 247 HA HIS 56 HA HIS 56 37.466 -9.728 -6.816 248 HB2 HIS 56 HB2 HIS 56 38.857 -7.473 -6.876 249 HB3 HIS 56 HB1 HIS 56 40.007 -8.419 -5.938 250 HD1 HIS 56 HD1 HIS 56 41.684 -9.613 -7.309 251 HD2 HIS 56 HD2 HIS 56 38.153 -8.937 -9.411 252 HE1 HIS 56 HE1 HIS 56 42.096 -10.479 -9.635 253 HE2 HIS 56 HE2 HIS 56 39.989 -9.975 -10.920 254 H LYS 57 HN LYS 57 36.995 -11.475 -5.603 255 HA LYS 57 HA LYS 57 38.446 -12.051 -3.175 256 HB2 LYS 57 HB2 LYS 57 36.842 -14.139 -3.343 257 HB3 LYS 57 HB1 LYS 57 36.228 -12.562 -2.863 258 HG2 LYS 57 HG2 LYS 57 35.632 -12.196 -5.295 259 HG3 LYS 57 HG1 LYS 57 35.988 -13.907 -5.539 260 HD2 LYS 57 HD2 LYS 57 34.252 -14.566 -4.054 261 HD3 LYS 57 HD1 LYS 57 34.015 -12.910 -3.491 262 HE2 LYS 57 HE2 LYS 57 33.504 -13.889 -6.300 263 HE3 LYS 57 HE1 LYS 57 32.268 -13.646 -5.070 264 HZ1 LYS 57 HZ1 LYS 57 32.363 -11.762 -6.548 265 HZ2 LYS 57 HZ2 LYS 57 34.010 -11.542 -6.236 266 HZ3 LYS 57 HZ3 LYS 57 32.875 -11.287 -5.004 267 H HIS 58 HN HIS 58 37.754 -13.895 -6.163 268 HA HIS 58 HA HIS 58 40.474 -14.916 -6.098 269 HB2 HIS 58 HB2 HIS 58 38.958 -16.462 -4.731 270 HB3 HIS 58 HB1 HIS 58 38.165 -16.854 -6.253 271 HD1 HIS 58 HD1 HIS 58 41.514 -17.147 -4.527 272 HD2 HIS 58 HD2 HIS 58 39.474 -18.732 -7.791 273 HE1 HIS 58 HE1 HIS 58 42.955 -19.016 -5.386 274 HE2 HIS 58 HE2 HIS 58 41.661 -20.029 -7.291 275 H ALA 59 HN ALA 59 41.273 -15.142 -8.101 276 HA ALA 59 HA ALA 59 39.396 -14.758 -10.335 277 HB1 ALA 59 HB1 ALA 59 41.137 -13.052 -10.106 278 HB2 ALA 59 HB2 ALA 59 41.316 -13.959 -11.607 279 HB3 ALA 59 HB3 ALA 59 42.377 -14.299 -10.241 280 H GLY 60 HN GLY 60 41.810 -16.864 -8.997 281 HA2 GLY 60 HA2 GLY 60 41.635 -19.232 -9.480 282 HA3 GLY 60 HA1 GLY 60 41.207 -18.808 -11.133 283 H HIS 61 HN HIS 61 42.860 -20.044 -12.039 284 HA HIS 61 HA HIS 61 45.478 -18.754 -11.831 285 HB2 HIS 61 HB2 HIS 61 46.635 -20.936 -11.876 286 HB3 HIS 61 HB1 HIS 61 45.674 -20.722 -10.421 287 HD1 HIS 61 HD1 HIS 61 46.060 -22.885 -13.410 288 HD2 HIS 61 HD2 HIS 61 43.371 -22.395 -10.270 289 HE1 HIS 61 HE1 HIS 61 44.623 -24.951 -13.413 290 HE2 HIS 61 HE2 HIS 61 42.858 -24.511 -11.667 291 H TYR 62 HN TYR 62 45.891 -17.976 -13.740 292 HA TYR 62 HA TYR 62 45.571 -19.743 -16.069 293 HB2 TYR 62 HB2 TYR 62 45.244 -16.728 -16.016 294 HB3 TYR 62 HB1 TYR 62 45.228 -17.724 -17.468 295 HD1 TYR 62 HD1 TYR 62 43.277 -16.389 -14.767 296 HD2 TYR 62 HD2 TYR 62 43.386 -19.454 -17.714 297 HE1 TYR 62 HE1 TYR 62 40.855 -16.719 -14.505 298 HE2 TYR 62 HE2 TYR 62 40.964 -19.789 -17.463 299 HH TYR 62 HH TYR 62 39.236 -19.400 -15.624 300 H ALA 63 HN ALA 63 47.189 -16.836 -14.877 301 HA ALA 63 HA ALA 63 49.760 -18.015 -15.691 302 HB1 ALA 63 HB1 ALA 63 50.588 -15.764 -16.219 303 HB2 ALA 63 HB2 ALA 63 48.986 -15.100 -15.896 304 HB3 ALA 63 HB3 ALA 63 49.225 -16.210 -17.246 305 H ARG 64 HN ARG 64 49.161 -18.722 -13.350 306 HA ARG 64 HA ARG 64 49.445 -16.736 -11.294 307 HB2 ARG 64 HB2 ARG 64 48.234 -19.125 -11.319 308 HB3 ARG 64 HB1 ARG 64 49.788 -19.633 -10.678 309 HG2 ARG 64 HG2 ARG 64 47.967 -17.550 -9.483 310 HG3 ARG 64 HG1 ARG 64 48.203 -19.193 -8.893 311 HD2 ARG 64 HD2 ARG 64 50.294 -17.023 -9.011 312 HD3 ARG 64 HD1 ARG 64 49.460 -17.581 -7.563 313 HE ARG 64 HE ARG 64 50.647 -19.816 -8.668 314 HH11 ARG 64 HH11 ARG 64 51.709 -16.721 -7.387 315 HH12 ARG 64 HH12 ARG 64 53.270 -17.322 -6.907 316 HH21 ARG 64 HH21 ARG 64 52.680 -20.602 -8.005 317 HH22 ARG 64 HH22 ARG 64 53.823 -19.527 -7.258 318 H ASP 65 HN ASP 65 51.401 -15.789 -11.647 319 HA ASP 65 HA ASP 65 53.632 -16.846 -10.331 320 HB2 ASP 65 HB2 ASP 65 55.219 -17.032 -12.240 321 HB3 ASP 65 HB1 ASP 65 53.968 -18.268 -12.282 322 H GLY 66 HN GLY 66 52.106 -14.598 -12.424 323 HA2 GLY 66 HA2 GLY 66 53.715 -12.466 -11.199 324 HA3 GLY 66 HA1 GLY 66 53.354 -12.434 -12.922 325 H SER 67 HN SER 67 52.594 -10.336 -11.365 326 HA SER 67 HA SER 67 49.676 -10.624 -11.393 327 HB2 SER 67 HB2 SER 67 49.660 -9.025 -9.407 328 HB3 SER 67 HB1 SER 67 50.188 -10.673 -9.075 329 HG SER 67 HG SER 67 51.471 -8.637 -8.351 330 H THR 68 HN THR 68 48.542 -8.544 -11.665 331 HA THR 68 HA THR 68 50.169 -6.509 -12.993 332 HB THR 68 HB THR 68 49.564 -7.937 -14.824 333 HG1 THR 68 HG1 THR 68 49.276 -5.561 -15.018 334 HG21 THR 68 HG21 THR 68 47.678 -9.118 -13.813 335 HG22 THR 68 HG22 THR 68 47.239 -8.464 -15.391 336 HG23 THR 68 HG23 THR 68 46.696 -7.657 -13.919 337 H ALA 69 HN ALA 69 47.040 -7.446 -11.659 338 HA ALA 69 HA ALA 69 45.298 -6.287 -10.800 339 HB1 ALA 69 HB1 ALA 69 47.030 -5.477 -9.265 340 HB2 ALA 69 HB2 ALA 69 45.777 -4.268 -9.548 341 HB3 ALA 69 HB3 ALA 69 47.342 -4.118 -10.345 342 H SER 70 HN SER 70 44.048 -6.085 -12.621 343 HA SER 70 HA SER 70 44.488 -3.778 -14.354 344 HB2 SER 70 HB2 SER 70 44.137 -6.045 -15.348 345 HB3 SER 70 HB1 SER 70 42.509 -6.047 -14.670 346 HG SER 70 HG SER 70 43.369 -3.912 -16.306 347 H ASP 71 HN ASP 71 42.981 -4.308 -11.556 348 HA ASP 71 HA ASP 71 40.423 -3.107 -12.100 349 HB2 ASP 71 HB2 ASP 71 41.784 -3.710 -9.462 350 HB3 ASP 71 HB1 ASP 71 40.114 -3.181 -9.647 351 H ALA 72 HN ALA 72 41.781 -1.317 -13.192 352 HA ALA 72 HA ALA 72 42.646 0.746 -11.307 353 HB1 ALA 72 HB1 ALA 72 43.448 1.924 -13.304 354 HB2 ALA 72 HB2 ALA 72 42.749 0.674 -14.327 355 HB3 ALA 72 HB3 ALA 72 44.077 0.280 -13.235 356 H GLY 73 HN GLY 73 40.813 0.947 -14.349 357 HA2 GLY 73 HA2 GLY 73 38.883 2.737 -13.012 358 HA3 GLY 73 HA1 GLY 73 39.121 2.604 -14.754 359 H GLU 74 HN GLU 74 39.259 -0.289 -13.123 360 HA GLU 74 HA GLU 74 37.200 -1.558 -14.489 361 HB2 GLU 74 HB2 GLU 74 39.200 -2.594 -13.367 362 HB3 GLU 74 HB1 GLU 74 38.393 -2.360 -11.826 363 HG2 GLU 74 HG2 GLU 74 38.081 -4.609 -12.472 364 HG3 GLU 74 HG1 GLU 74 36.536 -3.783 -12.667 365 H THR 75 HN THR 75 37.319 -0.332 -11.173 366 HA THR 75 HA THR 75 35.759 -0.084 -9.542 367 HB THR 75 HB THR 75 33.725 1.192 -10.229 368 HG1 THR 75 HG1 THR 75 34.339 0.174 -12.643 369 HG21 THR 75 HG21 THR 75 34.934 3.176 -10.981 370 HG22 THR 75 HG22 THR 75 36.332 2.178 -11.385 371 HG23 THR 75 HG23 THR 75 35.817 2.336 -9.706 372 H HIS 76 HN HIS 76 35.447 -2.292 -9.021 373 HA HIS 76 HA HIS 76 33.250 -3.682 -10.349 374 HB2 HIS 76 HB2 HIS 76 35.637 -4.508 -8.867 375 HB3 HIS 76 HB1 HIS 76 34.200 -5.447 -8.475 376 HD1 HIS 76 HD1 HIS 76 34.897 -7.585 -9.706 377 HD2 HIS 76 HD2 HIS 76 34.899 -4.190 -12.115 378 HE1 HIS 76 HE1 HIS 76 35.196 -8.417 -12.062 379 HE2 HIS 76 HE2 HIS 76 35.210 -6.355 -13.507 380 H PHE 77 HN PHE 77 33.351 -1.523 -8.017 381 HA PHE 77 HA PHE 77 30.932 -2.627 -6.796 382 HB2 PHE 77 HB2 PHE 77 32.681 -2.910 -5.121 383 HB3 PHE 77 HB1 PHE 77 33.194 -1.242 -5.325 384 HD1 PHE 77 HD1 PHE 77 32.890 -0.312 -3.223 385 HD2 PHE 77 HD2 PHE 77 29.736 -2.573 -4.969 386 HE1 PHE 77 HE1 PHE 77 31.388 0.386 -1.405 387 HE2 PHE 77 HE2 PHE 77 28.230 -1.877 -3.154 388 HZ PHE 77 HZ PHE 77 29.051 -0.394 -1.370 389 H ARG 78 HN ARG 78 29.280 -1.235 -6.848 390 HA ARG 78 HA ARG 78 29.754 1.617 -6.817 391 HB2 ARG 78 HB2 ARG 78 28.369 2.018 -8.844 392 HB3 ARG 78 HB1 ARG 78 29.898 1.221 -9.187 393 HG2 ARG 78 HG2 ARG 78 28.660 -0.948 -9.232 394 HG3 ARG 78 HG1 ARG 78 27.163 -0.024 -9.106 395 HD2 ARG 78 HD2 ARG 78 29.212 0.175 -11.311 396 HD3 ARG 78 HD1 ARG 78 27.630 -0.592 -11.424 397 HE ARG 78 HE ARG 78 28.210 2.173 -11.707 398 HH11 ARG 78 HH11 ARG 78 25.767 -0.027 -10.498 399 HH12 ARG 78 HH12 ARG 78 24.457 1.091 -10.749 400 HH21 ARG 78 HH21 ARG 78 26.487 3.615 -12.092 401 HH22 ARG 78 HH22 ARG 78 24.867 3.152 -11.656 402 H LEU 79 HN LEU 79 28.003 2.779 -6.036 403 HA LEU 79 HA LEU 79 25.706 1.144 -5.184 404 HB2 LEU 79 HB2 LEU 79 27.290 1.718 -3.350 405 HB3 LEU 79 HB1 LEU 79 27.008 3.416 -3.667 406 HG LEU 79 HG LEU 79 25.806 2.377 -1.678 407 HD11 LEU 79 HD11 LEU 79 23.746 3.644 -2.064 408 HD12 LEU 79 HD12 LEU 79 24.172 3.798 -3.769 409 HD13 LEU 79 HD13 LEU 79 25.182 4.550 -2.535 410 HD21 LEU 79 HD21 LEU 79 24.142 1.187 -3.884 411 HD22 LEU 79 HD22 LEU 79 23.684 1.242 -2.183 412 HD23 LEU 79 HD23 LEU 79 25.094 0.308 -2.688 413 H GLU 80 HN GLU 80 23.814 1.819 -5.923 414 HA GLU 80 HA GLU 80 23.479 4.690 -6.521 415 HB2 GLU 80 HB2 GLU 80 22.158 2.335 -7.885 416 HB3 GLU 80 HB1 GLU 80 21.735 4.018 -8.158 417 HG2 GLU 80 HG2 GLU 80 24.043 4.413 -8.954 418 HG3 GLU 80 HG1 GLU 80 24.347 2.681 -8.803 419 H VAL 81 HN VAL 81 22.119 5.635 -5.126 420 HA VAL 81 HA VAL 81 19.893 4.022 -4.076 421 HB VAL 81 HB VAL 81 21.054 4.811 -2.187 422 HG11 VAL 81 HG11 VAL 81 21.146 7.529 -3.480 423 HG12 VAL 81 HG12 VAL 81 22.503 6.421 -3.263 424 HG13 VAL 81 HG13 VAL 81 21.721 7.143 -1.857 425 HG21 VAL 81 HG21 VAL 81 19.523 6.402 -1.127 426 HG22 VAL 81 HG22 VAL 81 18.650 5.156 -2.019 427 HG23 VAL 81 HG23 VAL 81 18.823 6.772 -2.703 428 H THR 82 HN THR 82 17.936 4.473 -4.728 429 HA THR 82 HA THR 82 17.494 6.907 -6.304 430 HB THR 82 HB THR 82 16.330 4.146 -6.741 431 HG1 THR 82 HG1 THR 82 18.687 5.013 -7.377 432 HG21 THR 82 HG21 THR 82 15.443 5.072 -8.826 433 HG22 THR 82 HG22 THR 82 16.074 6.660 -8.394 434 HG23 THR 82 HG23 THR 82 14.796 5.928 -7.427 435 H SER 83 HN SER 83 16.216 8.205 -5.172 436 HA SER 83 HA SER 83 13.862 7.047 -3.830 437 HB2 SER 83 HB2 SER 83 14.881 9.860 -3.429 438 HB3 SER 83 HB1 SER 83 13.848 8.904 -2.367 439 HG SER 83 HG SER 83 15.604 7.667 -1.784 440 H ASP 84 HN ASP 84 12.243 7.032 -5.280 441 HA ASP 84 HA ASP 84 10.578 7.799 -6.627 442 HB2 ASP 84 HB2 ASP 84 11.728 10.448 -5.817 443 HB3 ASP 84 HB1 ASP 84 10.490 10.358 -7.063 444 H ALA 85 HN ALA 85 13.776 7.951 -7.350 445 HA ALA 85 HA ALA 85 14.990 7.934 -9.266 446 HB1 ALA 85 HB1 ALA 85 12.326 7.667 -10.655 447 HB2 ALA 85 HB2 ALA 85 13.276 6.330 -10.005 448 HB3 ALA 85 HB3 ALA 85 13.911 7.296 -11.338 449 H PHE 86 HN PHE 86 13.856 10.425 -8.131 450 HA PHE 86 HA PHE 86 14.200 12.136 -10.494 451 HB2 PHE 86 HB2 PHE 86 11.776 11.932 -9.746 452 HB3 PHE 86 HB1 PHE 86 12.257 12.721 -8.249 453 HD1 PHE 86 HD1 PHE 86 12.829 15.079 -8.216 454 HD2 PHE 86 HD2 PHE 86 11.676 13.147 -11.824 455 HE1 PHE 86 HE1 PHE 86 12.494 17.273 -9.276 456 HE2 PHE 86 HE2 PHE 86 11.339 15.337 -12.895 457 HZ PHE 86 HZ PHE 86 11.747 17.402 -11.621 458 H LYS 87 HN LYS 87 15.953 13.376 -10.182 459 HA LYS 87 HA LYS 87 16.911 13.681 -7.434 460 HB2 LYS 87 HB2 LYS 87 19.069 14.086 -8.280 461 HB3 LYS 87 HB1 LYS 87 18.424 12.793 -9.275 462 HG2 LYS 87 HG2 LYS 87 18.258 15.648 -10.156 463 HG3 LYS 87 HG1 LYS 87 19.723 14.700 -10.393 464 HD2 LYS 87 HD2 LYS 87 16.996 13.881 -11.377 465 HD3 LYS 87 HD1 LYS 87 18.186 14.739 -12.356 466 HE2 LYS 87 HE2 LYS 87 19.779 12.862 -11.931 467 HE3 LYS 87 HE1 LYS 87 18.465 11.994 -11.136 468 HZ1 LYS 87 HZ1 LYS 87 17.217 12.044 -13.200 469 HZ2 LYS 87 HZ2 LYS 87 18.732 11.323 -13.449 470 HZ3 LYS 87 HZ3 LYS 87 18.457 12.916 -13.960 471 H GLY 88 HN GLY 88 17.492 15.658 -6.559 472 HA2 GLY 88 HA2 GLY 88 17.108 18.124 -7.980 473 HA3 GLY 88 HA1 GLY 88 15.812 17.789 -6.839 474 H LEU 89 HN LEU 89 17.470 16.429 -4.942 475 HA LEU 89 HA LEU 89 18.740 18.710 -3.676 476 HB2 LEU 89 HB2 LEU 89 18.262 15.883 -2.722 477 HB3 LEU 89 HB1 LEU 89 19.048 17.125 -1.766 478 HG LEU 89 HG LEU 89 16.190 17.190 -2.743 479 HD11 LEU 89 HD11 LEU 89 17.345 16.811 0.016 480 HD12 LEU 89 HD12 LEU 89 16.534 15.583 -0.953 481 HD13 LEU 89 HD13 LEU 89 15.632 16.980 -0.368 482 HD21 LEU 89 HD21 LEU 89 17.143 19.426 -2.661 483 HD22 LEU 89 HD22 LEU 89 17.716 19.138 -1.019 484 HD23 LEU 89 HD23 LEU 89 15.985 19.197 -1.349 485 H THR 90 HN THR 90 20.897 18.509 -2.748 486 HA THR 90 HA THR 90 22.885 17.733 -4.514 487 HB THR 90 HB THR 90 23.949 17.538 -1.897 488 HG1 THR 90 HG1 THR 90 23.031 19.465 -0.979 489 HG21 THR 90 HG21 THR 90 24.928 19.723 -2.439 490 HG22 THR 90 HG22 THR 90 23.815 19.883 -3.799 491 HG23 THR 90 HG23 THR 90 25.038 18.611 -3.802 492 H LEU 91 HN LEU 91 23.756 15.804 -5.032 493 HA LEU 91 HA LEU 91 22.528 13.456 -3.985 494 HB2 LEU 91 HB2 LEU 91 23.729 12.248 -5.626 495 HB3 LEU 91 HB1 LEU 91 23.236 13.757 -6.361 496 HG LEU 91 HG LEU 91 25.737 14.398 -5.504 497 HD11 LEU 91 HD11 LEU 91 25.790 11.496 -6.320 498 HD12 LEU 91 HD12 LEU 91 26.218 12.151 -4.738 499 HD13 LEU 91 HD13 LEU 91 27.204 12.537 -6.149 500 HD21 LEU 91 HD21 LEU 91 24.966 13.135 -8.130 501 HD22 LEU 91 HD22 LEU 91 26.403 14.117 -7.838 502 HD23 LEU 91 HD23 LEU 91 24.798 14.839 -7.704 503 H VAL 92 HN VAL 92 25.475 15.163 -3.349 504 HA VAL 92 HA VAL 92 26.858 13.106 -1.989 505 HB VAL 92 HB VAL 92 28.179 14.896 -0.944 506 HG11 VAL 92 HG11 VAL 92 27.623 15.350 -3.870 507 HG12 VAL 92 HG12 VAL 92 28.751 14.178 -3.188 508 HG13 VAL 92 HG13 VAL 92 29.050 15.905 -2.998 509 HG21 VAL 92 HG21 VAL 92 27.705 17.249 -1.462 510 HG22 VAL 92 HG22 VAL 92 26.412 16.510 -0.517 511 HG23 VAL 92 HG23 VAL 92 26.203 16.765 -2.250 512 H LYS 93 HN LYS 93 24.072 14.880 -1.177 513 HA LYS 93 HA LYS 93 24.377 14.942 1.647 514 HB2 LYS 93 HB2 LYS 93 22.843 16.394 0.223 515 HB3 LYS 93 HB1 LYS 93 21.769 15.010 0.125 516 HG2 LYS 93 HG2 LYS 93 22.637 16.076 2.781 517 HG3 LYS 93 HG1 LYS 93 21.326 16.841 1.885 518 HD2 LYS 93 HD2 LYS 93 20.067 14.789 1.885 519 HD3 LYS 93 HD1 LYS 93 21.410 13.918 2.626 520 HE2 LYS 93 HE2 LYS 93 19.835 16.170 3.873 521 HE3 LYS 93 HE1 LYS 93 19.694 14.460 4.276 522 HZ1 LYS 93 HZ1 LYS 93 21.063 15.485 5.904 523 HZ2 LYS 93 HZ2 LYS 93 22.033 16.235 4.735 524 HZ3 LYS 93 HZ3 LYS 93 22.089 14.554 4.929 525 H ARG 94 HN ARG 94 22.863 12.657 -0.618 526 HA ARG 94 HA ARG 94 21.843 11.002 1.484 527 HB2 ARG 94 HB2 ARG 94 20.998 11.026 -0.941 528 HB3 ARG 94 HB1 ARG 94 22.404 10.042 -1.317 529 HG2 ARG 94 HG2 ARG 94 20.509 8.600 -0.973 530 HG3 ARG 94 HG1 ARG 94 21.657 8.374 0.350 531 HD2 ARG 94 HD2 ARG 94 20.100 10.329 1.379 532 HD3 ARG 94 HD1 ARG 94 18.927 9.490 0.369 533 HE ARG 94 HE ARG 94 20.414 7.681 2.011 534 HH11 ARG 94 HH11 ARG 94 17.694 9.870 1.962 535 HH12 ARG 94 HH12 ARG 94 16.935 9.194 3.368 536 HH21 ARG 94 HH21 ARG 94 19.431 6.773 3.909 537 HH22 ARG 94 HH22 ARG 94 17.922 7.430 4.465 538 H HIS 95 HN HIS 95 24.776 11.139 -0.421 539 HA HIS 95 HA HIS 95 25.933 8.702 0.356 540 HB2 HIS 95 HB2 HIS 95 26.831 10.145 -1.450 541 HB3 HIS 95 HB1 HIS 95 27.334 11.322 -0.243 542 HD1 HIS 95 HD1 HIS 95 29.526 10.901 0.976 543 HD2 HIS 95 HD2 HIS 95 28.363 7.734 -1.468 544 HE1 HIS 95 HE1 HIS 95 31.504 9.350 0.880 545 HE2 HIS 95 HE2 HIS 95 30.846 7.559 -0.762 546 H GLN 96 HN GLN 96 25.969 11.895 1.824 547 HA GLN 96 HA GLN 96 27.618 11.425 4.022 548 HB2 GLN 96 HB2 GLN 96 26.874 13.649 3.391 549 HB3 GLN 96 HB1 GLN 96 25.202 13.217 3.710 550 HG2 GLN 96 HG2 GLN 96 25.935 12.819 6.113 551 HG3 GLN 96 HG1 GLN 96 27.421 13.662 5.673 552 HE21 GLN 96 HE21 GLN 96 27.012 15.366 7.055 553 HE22 GLN 96 HE22 GLN 96 25.786 16.543 6.736 554 H LEU 97 HN LEU 97 24.191 10.772 3.532 555 HA LEU 97 HA LEU 97 23.612 10.194 6.255 556 HB2 LEU 97 HB2 LEU 97 22.115 9.444 3.746 557 HB3 LEU 97 HB1 LEU 97 21.490 9.284 5.375 558 HG LEU 97 HG LEU 97 22.220 11.884 4.029 559 HD11 LEU 97 HD11 LEU 97 19.525 10.697 4.683 560 HD12 LEU 97 HD12 LEU 97 20.220 10.861 3.071 561 HD13 LEU 97 HD13 LEU 97 19.815 12.299 4.008 562 HD21 LEU 97 HD21 LEU 97 20.936 11.350 6.703 563 HD22 LEU 97 HD22 LEU 97 21.187 12.936 5.973 564 HD23 LEU 97 HD23 LEU 97 22.572 11.952 6.442 565 H ILE 98 HN ILE 98 24.188 8.128 3.407 566 HA ILE 98 HA ILE 98 23.756 5.763 5.019 567 HB ILE 98 HB ILE 98 24.099 4.499 2.939 568 HG12 ILE 98 HG12 ILE 98 24.460 7.221 1.658 569 HG13 ILE 98 HG11 ILE 98 25.730 6.022 1.874 570 HG21 ILE 98 HG21 ILE 98 22.175 6.808 2.727 571 HG22 ILE 98 HG22 ILE 98 21.880 5.267 3.532 572 HG23 ILE 98 HG23 ILE 98 22.095 5.322 1.782 573 HD11 ILE 98 HD11 ILE 98 24.927 5.980 -0.396 574 HD12 ILE 98 HD12 ILE 98 23.274 5.729 0.166 575 HD13 ILE 98 HD13 ILE 98 24.491 4.481 0.423 576 H TYR 99 HN TYR 99 26.479 7.525 3.766 577 HA TYR 99 HA TYR 99 28.701 7.074 3.554 578 HB2 TYR 99 HB2 TYR 99 29.788 6.413 5.692 579 HB3 TYR 99 HB1 TYR 99 28.633 7.724 5.860 580 HD1 TYR 99 HD1 TYR 99 26.686 7.481 7.240 581 HD2 TYR 99 HD2 TYR 99 29.267 4.162 6.599 582 HE1 TYR 99 HE1 TYR 99 25.568 6.269 9.064 583 HE2 TYR 99 HE2 TYR 99 28.154 2.937 8.418 584 HH TYR 99 HH TYR 99 25.208 3.916 9.753 585 H GLY 100 HN GLY 100 27.225 5.051 2.304 586 HA2 GLY 100 HA2 GLY 100 28.260 2.490 3.199 587 HA3 GLY 100 HA1 GLY 100 27.079 2.753 1.929 588 H LEU 101 HN LEU 101 29.612 4.815 1.356 589 HA LEU 101 HA LEU 101 30.852 2.853 -0.458 590 HB2 LEU 101 HB2 LEU 101 29.484 4.751 -1.490 591 HB3 LEU 101 HB1 LEU 101 30.748 5.829 -0.934 592 HG LEU 101 HG LEU 101 32.327 4.216 -2.249 593 HD11 LEU 101 HD11 LEU 101 30.662 2.525 -2.729 594 HD12 LEU 101 HD12 LEU 101 31.264 3.244 -4.223 595 HD13 LEU 101 HD13 LEU 101 29.682 3.709 -3.596 596 HD21 LEU 101 HD21 LEU 101 31.970 6.572 -2.779 597 HD22 LEU 101 HD22 LEU 101 30.503 6.153 -3.664 598 HD23 LEU 101 HD23 LEU 101 32.072 5.591 -4.240 599 H LEU 102 HN LEU 102 33.133 3.460 -1.077 600 HA LEU 102 HA LEU 102 35.292 3.856 -0.536 601 HB2 LEU 102 HB2 LEU 102 34.151 6.193 -0.039 602 HB3 LEU 102 HB1 LEU 102 34.527 5.782 1.620 603 HG LEU 102 HG LEU 102 36.628 5.826 -0.541 604 HD11 LEU 102 HD11 LEU 102 37.220 8.068 0.286 605 HD12 LEU 102 HD12 LEU 102 35.763 8.064 1.281 606 HD13 LEU 102 HD13 LEU 102 35.631 8.025 -0.478 607 HD21 LEU 102 HD21 LEU 102 36.777 6.002 2.467 608 HD22 LEU 102 HD22 LEU 102 38.147 6.137 1.365 609 HD23 LEU 102 HD23 LEU 102 37.249 4.623 1.471 610 H SER 103 HN SER 103 34.709 1.628 0.296 611 HA SER 103 HA SER 103 35.937 1.300 2.871 612 HB2 SER 103 HB2 SER 103 33.037 0.502 2.522 613 HB3 SER 103 HB1 SER 103 34.062 -0.028 3.853 614 HG SER 103 HG SER 103 33.981 2.706 3.408 615 H ASP 104 HN ASP 104 33.683 -0.684 0.912 616 HA ASP 104 HA ASP 104 35.341 -2.987 1.398 617 HB2 ASP 104 HB2 ASP 104 32.836 -3.093 1.357 618 HB3 ASP 104 HB1 ASP 104 32.909 -2.823 -0.382 619 H GLU 105 HN GLU 105 34.871 -0.765 -1.272 620 HA GLU 105 HA GLU 105 35.765 -2.450 -3.333 621 HB2 GLU 105 HB2 GLU 105 36.191 -0.463 -4.637 622 HB3 GLU 105 HB1 GLU 105 34.687 -0.272 -3.752 623 HG2 GLU 105 HG2 GLU 105 37.156 0.784 -2.506 624 HG3 GLU 105 HG1 GLU 105 36.505 1.634 -3.906 625 H PHE 106 HN PHE 106 37.518 -0.639 -0.917 626 HA PHE 106 HA PHE 106 40.089 -0.946 -2.121 627 HB2 PHE 106 HB2 PHE 106 39.314 -0.384 0.749 628 HB3 PHE 106 HB1 PHE 106 40.956 -0.295 0.115 629 HD1 PHE 106 HD1 PHE 106 41.532 1.420 -1.572 630 HD2 PHE 106 HD2 PHE 106 37.765 1.370 0.407 631 HE1 PHE 106 HE1 PHE 106 41.144 3.745 -2.265 632 HE2 PHE 106 HE2 PHE 106 37.371 3.698 -0.284 633 HZ PHE 106 HZ PHE 106 39.060 4.887 -1.622 634 H LYS 107 HN LYS 107 38.113 -2.833 0.028 635 HA LYS 107 HA LYS 107 40.047 -4.836 0.618 636 HB2 LYS 107 HB2 LYS 107 38.266 -4.817 2.107 637 HB3 LYS 107 HB1 LYS 107 37.075 -4.560 0.844 638 HG2 LYS 107 HG2 LYS 107 37.216 -6.867 0.176 639 HG3 LYS 107 HG1 LYS 107 38.533 -7.150 1.320 640 HD2 LYS 107 HD2 LYS 107 37.147 -7.110 3.137 641 HD3 LYS 107 HD1 LYS 107 35.998 -6.014 2.370 642 HE2 LYS 107 HE2 LYS 107 36.360 -8.901 1.585 643 HE3 LYS 107 HE1 LYS 107 35.144 -8.335 2.731 644 HZ1 LYS 107 HZ1 LYS 107 34.160 -8.537 0.560 645 HZ2 LYS 107 HZ2 LYS 107 35.364 -7.565 -0.132 646 HZ3 LYS 107 HZ3 LYS 107 34.256 -6.887 0.957 647 H ALA 108 HN ALA 108 37.821 -4.211 -1.986 648 HA ALA 108 HA ALA 108 38.264 -6.685 -3.364 649 HB1 ALA 108 HB1 ALA 108 36.238 -5.400 -3.767 650 HB2 ALA 108 HB2 ALA 108 37.159 -5.565 -5.263 651 HB3 ALA 108 HB3 ALA 108 37.192 -4.044 -4.369 652 H GLY 109 HN GLY 109 39.764 -3.526 -3.297 653 HA2 GLY 109 HA2 GLY 109 42.105 -3.321 -3.814 654 HA3 GLY 109 HA1 GLY 109 41.905 -4.577 -5.023 655 H LEU 110 HN LEU 110 39.258 -2.677 -5.380 656 HA LEU 110 HA LEU 110 40.661 -0.799 -7.154 657 HB2 LEU 110 HB2 LEU 110 38.467 -0.741 -8.481 658 HB3 LEU 110 HB1 LEU 110 39.547 -2.093 -8.708 659 HG LEU 110 HG LEU 110 37.105 -2.649 -8.681 660 HD11 LEU 110 HD11 LEU 110 37.335 -4.667 -7.352 661 HD12 LEU 110 HD12 LEU 110 38.769 -4.002 -6.570 662 HD13 LEU 110 HD13 LEU 110 38.793 -4.356 -8.298 663 HD21 LEU 110 HD21 LEU 110 37.325 -2.021 -5.741 664 HD22 LEU 110 HD22 LEU 110 35.963 -2.825 -6.522 665 HD23 LEU 110 HD23 LEU 110 36.353 -1.152 -6.929 666 H HIS 111 HN HIS 111 38.591 0.901 -7.798 667 HA HIS 111 HA HIS 111 37.771 1.929 -5.165 668 HB2 HIS 111 HB2 HIS 111 39.409 3.384 -6.358 669 HB3 HIS 111 HB1 HIS 111 38.261 3.540 -7.683 670 HD1 HIS 111 HD1 HIS 111 37.934 4.017 -3.904 671 HD2 HIS 111 HD2 HIS 111 37.080 5.952 -7.481 672 HE1 HIS 111 HE1 HIS 111 36.785 6.154 -3.256 673 HE2 HIS 111 HE2 HIS 111 36.464 7.401 -5.428 674 H ALA 112 HN ALA 112 35.679 3.018 -5.092 675 HA ALA 112 HA ALA 112 33.825 1.913 -7.096 676 HB1 ALA 112 HB1 ALA 112 33.327 2.388 -4.163 677 HB2 ALA 112 HB2 ALA 112 33.631 0.824 -4.920 678 HB3 ALA 112 HB3 ALA 112 32.171 1.731 -5.320 679 H LEU 113 HN LEU 113 31.812 3.113 -7.362 680 HA LEU 113 HA LEU 113 32.020 5.954 -6.674 681 HB2 LEU 113 HB2 LEU 113 31.072 6.504 -8.921 682 HB3 LEU 113 HB1 LEU 113 32.707 5.879 -8.949 683 HG LEU 113 HG LEU 113 31.485 3.588 -9.417 684 HD11 LEU 113 HD11 LEU 113 29.503 5.589 -10.483 685 HD12 LEU 113 HD12 LEU 113 29.218 4.456 -9.162 686 HD13 LEU 113 HD13 LEU 113 29.500 3.852 -10.794 687 HD21 LEU 113 HD21 LEU 113 33.093 4.644 -10.899 688 HD22 LEU 113 HD22 LEU 113 31.846 5.742 -11.491 689 HD23 LEU 113 HD23 LEU 113 31.722 4.013 -11.814 690 H SER 114 HN SER 114 30.072 6.978 -6.219 691 HA SER 114 HA SER 114 27.691 5.257 -6.255 692 HB2 SER 114 HB2 SER 114 27.020 6.242 -4.078 693 HB3 SER 114 HB1 SER 114 28.524 5.328 -3.966 694 HG SER 114 HG SER 114 28.600 8.093 -4.479 695 H MET 115 HN MET 115 26.261 6.123 -7.594 696 HA MET 115 HA MET 115 25.979 9.049 -7.611 697 HB2 MET 115 HB2 MET 115 24.735 8.719 -9.759 698 HB3 MET 115 HB1 MET 115 26.422 8.244 -9.830 699 HG2 MET 115 HG2 MET 115 25.709 5.882 -9.511 700 HG3 MET 115 HG1 MET 115 24.036 6.427 -9.627 701 HE1 MET 115 HE1 MET 115 27.490 6.174 -11.543 702 HE2 MET 115 HE2 MET 115 27.080 7.889 -11.589 703 HE3 MET 115 HE3 MET 115 27.063 6.940 -13.074 704 H THR 116 HN THR 116 24.302 9.839 -6.521 705 HA THR 116 HA THR 116 22.167 7.962 -5.800 706 HB THR 116 HB THR 116 21.929 9.033 -3.727 707 HG1 THR 116 HG1 THR 116 22.230 11.211 -4.921 708 HG21 THR 116 HG21 THR 116 24.168 9.139 -2.744 709 HG22 THR 116 HG22 THR 116 24.879 9.220 -4.356 710 HG23 THR 116 HG23 THR 116 24.030 7.764 -3.839 711 H THR 117 HN THR 117 20.128 8.440 -6.302 712 HA THR 117 HA THR 117 19.526 11.204 -7.078 713 HB THR 117 HB THR 117 19.361 9.912 -9.076 714 HG1 THR 117 HG1 THR 117 17.260 10.356 -9.623 715 HG21 THR 117 HG21 THR 117 17.969 7.919 -9.299 716 HG22 THR 117 HG22 THR 117 17.569 7.998 -7.584 717 HG23 THR 117 HG23 THR 117 19.228 7.682 -8.088 718 H LYS 118 HN LYS 118 18.259 12.162 -5.677 719 HA LYS 118 HA LYS 118 16.420 10.560 -4.042 720 HB2 LYS 118 HB2 LYS 118 18.722 11.191 -2.970 721 HB3 LYS 118 HB1 LYS 118 18.052 12.808 -2.866 722 HG2 LYS 118 HG2 LYS 118 16.748 10.386 -1.644 723 HG3 LYS 118 HG1 LYS 118 17.877 11.432 -0.787 724 HD2 LYS 118 HD2 LYS 118 16.376 13.340 -1.170 725 HD3 LYS 118 HD1 LYS 118 15.238 12.267 -1.986 726 HE2 LYS 118 HE2 LYS 118 15.119 10.926 0.121 727 HE3 LYS 118 HE1 LYS 118 16.095 12.170 0.900 728 HZ1 LYS 118 HZ1 LYS 118 13.828 12.615 1.374 729 HZ2 LYS 118 HZ2 LYS 118 13.380 12.474 -0.253 730 HZ3 LYS 118 HZ3 LYS 118 14.332 13.783 0.254 731 H THR 119 HN THR 119 14.497 11.542 -3.618 732 HA THR 119 HA THR 119 13.522 13.530 -5.285 733 HB THR 119 HB THR 119 12.188 13.265 -2.665 734 HG1 THR 119 HG1 THR 119 11.592 11.004 -3.861 735 HG21 THR 119 HG21 THR 119 10.241 12.854 -4.088 736 HG22 THR 119 HG22 THR 119 11.282 12.779 -5.509 737 HG23 THR 119 HG23 THR 119 11.111 14.293 -4.622 738 HA PRO 120 HA PRO 120 15.060 17.236 -3.275 739 HB2 PRO 120 HB2 PRO 120 13.567 18.983 -4.745 740 HB3 PRO 120 HB1 PRO 120 15.057 18.240 -5.340 741 HG2 PRO 120 HG2 PRO 120 12.212 17.467 -5.869 742 HG3 PRO 120 HG1 PRO 120 13.579 17.554 -6.995 743 HD2 PRO 120 HD2 PRO 120 12.722 15.215 -5.963 744 HD3 PRO 120 HD1 PRO 120 14.436 15.520 -6.319 745 H ALA 121 HN ALA 121 14.054 19.146 -2.211 746 HA ALA 121 HA ALA 121 11.774 18.332 -0.643 747 HB1 ALA 121 HB1 ALA 121 13.657 19.497 0.402 748 HB2 ALA 121 HB2 ALA 121 12.157 20.403 0.597 749 HB3 ALA 121 HB3 ALA 121 13.343 20.910 -0.606 750 H GLU 122 HN GLU 122 12.224 19.804 -3.565 751 HA GLU 122 HA GLU 122 9.659 21.236 -3.455 752 HB2 GLU 122 HB2 GLU 122 11.957 21.554 -5.399 753 HB3 GLU 122 HB1 GLU 122 10.455 22.469 -5.432 754 HG2 GLU 122 HG2 GLU 122 10.972 23.503 -3.332 755 HG3 GLU 122 HG1 GLU 122 12.408 22.496 -3.148 756 H GLN 123 HN GLN 123 8.123 19.863 -4.111 757 HA GLN 123 HA GLN 123 8.653 18.295 -6.543 758 HB2 GLN 123 HB2 GLN 123 7.053 16.585 -5.570 759 HB3 GLN 123 HB1 GLN 123 8.633 16.692 -4.809 760 HG2 GLN 123 HG2 GLN 123 7.613 18.117 -3.041 761 HG3 GLN 123 HG1 GLN 123 6.038 17.803 -3.770 762 HE21 GLN 123 HE21 GLN 123 8.693 16.447 -1.993 763 HE22 GLN 123 HE22 GLN 123 7.898 14.985 -1.516 Start of MODEL 9 1 H MET 24 HT3 MET 24 1.286 -2.226 0.747 2 HA MET 24 HA MET 24 2.413 -4.118 2.727 3 HB2 MET 24 HB2 MET 24 2.300 -4.177 -0.291 4 HB3 MET 24 HB1 MET 24 3.368 -5.200 0.656 5 HG2 MET 24 HG2 MET 24 1.454 -6.464 0.032 6 HG3 MET 24 HG1 MET 24 1.383 -6.167 1.768 7 HE1 MET 24 HE1 MET 24 -2.369 -6.223 0.509 8 HE2 MET 24 HE2 MET 24 -1.192 -6.998 1.568 9 HE3 MET 24 HE3 MET 24 -1.031 -7.142 -0.183 10 H ALA 25 HN ALA 25 4.603 -4.090 2.986 11 HA ALA 25 HA ALA 25 6.153 -2.077 1.496 12 HB1 ALA 25 HB1 ALA 25 6.268 -2.521 4.486 13 HB2 ALA 25 HB2 ALA 25 5.589 -1.108 3.678 14 HB3 ALA 25 HB3 ALA 25 7.316 -1.443 3.564 15 H GLU 26 HN GLU 26 5.702 -5.017 1.498 16 HA GLU 26 HA GLU 26 8.140 -6.222 2.438 17 HB2 GLU 26 HB2 GLU 26 6.620 -7.795 0.514 18 HB3 GLU 26 HB1 GLU 26 7.019 -8.161 2.184 19 HG2 GLU 26 HG2 GLU 26 4.717 -6.434 1.293 20 HG3 GLU 26 HG1 GLU 26 4.599 -8.132 1.744 21 H HIS 27 HN HIS 27 8.473 -8.025 0.175 22 HA HIS 27 HA HIS 27 9.511 -8.219 -1.846 23 HB2 HIS 27 HB2 HIS 27 7.603 -6.795 -2.609 24 HB3 HIS 27 HB1 HIS 27 8.584 -5.371 -2.306 25 HD1 HIS 27 HD1 HIS 27 9.325 -8.584 -4.231 26 HD2 HIS 27 HD2 HIS 27 9.352 -4.452 -4.698 27 HE1 HIS 27 HE1 HIS 27 10.120 -8.169 -6.578 28 HE2 HIS 27 HE2 HIS 27 9.870 -5.679 -6.910 29 H GLN 28 HN GLN 28 10.957 -7.605 0.389 30 HA GLN 28 HA GLN 28 12.722 -5.376 -0.025 31 HB2 GLN 28 HB2 GLN 28 13.815 -6.129 2.005 32 HB3 GLN 28 HB1 GLN 28 12.071 -6.149 2.226 33 HG2 GLN 28 HG2 GLN 28 12.059 -8.569 1.841 34 HG3 GLN 28 HG1 GLN 28 13.810 -8.538 1.651 35 HE21 GLN 28 HE21 GLN 28 14.217 -9.876 3.356 36 HE22 GLN 28 HE22 GLN 28 13.974 -9.402 5.009 37 H LEU 29 HN LEU 29 15.181 -6.280 0.665 38 HA LEU 29 HA LEU 29 15.926 -8.019 -1.595 39 HB2 LEU 29 HB2 LEU 29 16.546 -5.624 -1.860 40 HB3 LEU 29 HB1 LEU 29 17.496 -5.735 -0.391 41 HG LEU 29 HG LEU 29 18.909 -7.468 -1.521 42 HD11 LEU 29 HD11 LEU 29 17.279 -8.164 -3.211 43 HD12 LEU 29 HD12 LEU 29 18.805 -7.661 -3.935 44 HD13 LEU 29 HD13 LEU 29 17.411 -6.583 -3.982 45 HD21 LEU 29 HD21 LEU 29 20.147 -5.853 -2.870 46 HD22 LEU 29 HD22 LEU 29 19.614 -5.143 -1.346 47 HD23 LEU 29 HD23 LEU 29 18.761 -4.763 -2.843 48 H GLY 30 HN GLY 30 17.928 -9.258 -1.274 49 HA2 GLY 30 HA2 GLY 30 18.007 -10.362 1.398 50 HA3 GLY 30 HA1 GLY 30 18.865 -10.969 -0.009 51 HA PRO 31 HA PRO 31 21.631 -8.473 2.971 52 HB2 PRO 31 HB2 PRO 31 23.030 -10.541 4.049 53 HB3 PRO 31 HB1 PRO 31 21.553 -9.897 4.772 54 HG2 PRO 31 HG2 PRO 31 21.925 -12.317 3.057 55 HG3 PRO 31 HG1 PRO 31 20.927 -12.117 4.509 56 HD2 PRO 31 HD2 PRO 31 19.885 -12.049 2.008 57 HD3 PRO 31 HD1 PRO 31 19.212 -11.099 3.349 58 H ILE 32 HN ILE 32 23.761 -7.980 2.544 59 HA ILE 32 HA ILE 32 25.036 -9.445 0.325 60 HB ILE 32 HB ILE 32 25.424 -6.487 0.625 61 HG12 ILE 32 HG12 ILE 32 23.118 -7.714 -0.913 62 HG13 ILE 32 HG11 ILE 32 22.945 -6.895 0.636 63 HG21 ILE 32 HG21 ILE 32 26.803 -7.734 -0.958 64 HG22 ILE 32 HG22 ILE 32 25.738 -6.612 -1.805 65 HG23 ILE 32 HG23 ILE 32 25.352 -8.333 -1.763 66 HD11 ILE 32 HD11 ILE 32 22.334 -5.443 -1.203 67 HD12 ILE 32 HD12 ILE 32 23.930 -5.653 -1.923 68 HD13 ILE 32 HD13 ILE 32 23.762 -4.827 -0.373 69 H ALA 33 HN ALA 33 27.308 -7.562 0.413 70 HA ALA 33 HA ALA 33 28.851 -8.779 2.471 71 HB1 ALA 33 HB1 ALA 33 29.849 -8.133 0.341 72 HB2 ALA 33 HB2 ALA 33 30.664 -7.331 1.684 73 HB3 ALA 33 HB3 ALA 33 29.514 -6.437 0.690 74 H GLY 34 HN GLY 34 30.355 -7.123 3.774 75 HA2 GLY 34 HA2 GLY 34 28.801 -6.263 5.906 76 HA3 GLY 34 HA1 GLY 34 30.461 -5.771 5.622 77 H ALA 35 HN ALA 35 29.720 -4.480 3.065 78 HA ALA 35 HA ALA 35 29.348 -1.860 3.907 79 HB1 ALA 35 HB1 ALA 35 30.320 -2.453 1.751 80 HB2 ALA 35 HB2 ALA 35 28.985 -1.316 1.557 81 HB3 ALA 35 HB3 ALA 35 28.749 -3.026 1.190 82 H ILE 36 HN ILE 36 26.997 -4.335 3.339 83 HA ILE 36 HA ILE 36 24.747 -2.854 2.640 84 HB ILE 36 HB ILE 36 24.896 -5.352 2.648 85 HG12 ILE 36 HG12 ILE 36 22.530 -4.162 4.112 86 HG13 ILE 36 HG11 ILE 36 22.753 -4.168 2.367 87 HG21 ILE 36 HG21 ILE 36 24.330 -6.555 4.711 88 HG22 ILE 36 HG22 ILE 36 24.392 -5.036 5.605 89 HG23 ILE 36 HG23 ILE 36 25.855 -5.680 4.862 90 HD11 ILE 36 HD11 ILE 36 21.203 -5.884 2.995 91 HD12 ILE 36 HD12 ILE 36 22.361 -6.563 4.138 92 HD13 ILE 36 HD13 ILE 36 22.690 -6.634 2.406 93 H LYS 37 HN LYS 37 26.343 -3.116 5.713 94 HA LYS 37 HA LYS 37 24.252 -2.582 7.467 95 HB2 LYS 37 HB2 LYS 37 26.724 -3.199 7.931 96 HB3 LYS 37 HB1 LYS 37 27.021 -1.469 7.869 97 HG2 LYS 37 HG2 LYS 37 24.941 -2.630 9.687 98 HG3 LYS 37 HG1 LYS 37 26.640 -2.560 10.151 99 HD2 LYS 37 HD2 LYS 37 26.651 -0.164 9.951 100 HD3 LYS 37 HD1 LYS 37 25.013 -0.172 9.292 101 HE2 LYS 37 HE2 LYS 37 25.751 -1.159 12.043 102 HE3 LYS 37 HE1 LYS 37 25.139 0.459 11.701 103 HZ1 LYS 37 HZ1 LYS 37 23.089 -0.457 10.931 104 HZ2 LYS 37 HZ2 LYS 37 23.421 -1.141 12.447 105 HZ3 LYS 37 HZ3 LYS 37 23.680 -2.044 11.039 106 H SER 38 HN SER 38 26.255 -0.365 5.587 107 HA SER 38 HA SER 38 25.328 2.028 6.740 108 HB2 SER 38 HB2 SER 38 26.379 1.586 3.938 109 HB3 SER 38 HB1 SER 38 26.310 3.124 4.797 110 HG SER 38 HG SER 38 28.017 2.585 5.925 111 H LYS 39 HN LYS 39 24.285 0.330 3.772 112 HA LYS 39 HA LYS 39 22.332 2.236 3.062 113 HB2 LYS 39 HB2 LYS 39 21.477 0.615 1.484 114 HB3 LYS 39 HB1 LYS 39 23.232 0.618 1.445 115 HG2 LYS 39 HG2 LYS 39 23.243 -1.418 2.825 116 HG3 LYS 39 HG1 LYS 39 21.479 -1.426 2.801 117 HD2 LYS 39 HD2 LYS 39 23.242 -1.581 0.355 118 HD3 LYS 39 HD1 LYS 39 22.490 -2.968 1.145 119 HE2 LYS 39 HE2 LYS 39 20.280 -2.006 0.713 120 HE3 LYS 39 HE1 LYS 39 21.038 -0.626 -0.081 121 HZ1 LYS 39 HZ1 LYS 39 21.100 -3.456 -0.982 122 HZ2 LYS 39 HZ2 LYS 39 22.012 -2.221 -1.686 123 HZ3 LYS 39 HZ3 LYS 39 20.324 -2.157 -1.743 124 H VAL 40 HN VAL 40 22.232 -0.479 5.261 125 HA VAL 40 HA VAL 40 19.446 -0.743 5.522 126 HB VAL 40 HB VAL 40 21.623 -1.236 7.564 127 HG11 VAL 40 HG11 VAL 40 19.435 -0.920 8.643 128 HG12 VAL 40 HG12 VAL 40 20.000 -2.586 8.776 129 HG13 VAL 40 HG13 VAL 40 18.751 -2.169 7.602 130 HG21 VAL 40 HG21 VAL 40 20.144 -3.123 5.732 131 HG22 VAL 40 HG22 VAL 40 21.338 -3.586 6.945 132 HG23 VAL 40 HG23 VAL 40 21.822 -2.608 5.560 133 H GLU 41 HN GLU 41 21.751 1.384 7.170 134 HA GLU 41 HA GLU 41 19.949 2.537 9.007 135 HB2 GLU 41 HB2 GLU 41 22.319 3.898 7.715 136 HB3 GLU 41 HB1 GLU 41 21.568 4.316 9.249 137 HG2 GLU 41 HG2 GLU 41 23.098 1.803 8.621 138 HG3 GLU 41 HG1 GLU 41 23.642 3.148 9.621 139 H ALA 42 HN ALA 42 20.856 3.399 5.725 140 HA ALA 42 HA ALA 42 19.420 5.813 5.524 141 HB1 ALA 42 HB1 ALA 42 21.240 5.208 4.016 142 HB2 ALA 42 HB2 ALA 42 19.770 5.612 3.130 143 HB3 ALA 42 HB3 ALA 42 20.245 3.925 3.327 144 H ALA 43 HN ALA 43 18.343 2.566 5.489 145 HA ALA 43 HA ALA 43 16.235 2.681 3.645 146 HB1 ALA 43 HB1 ALA 43 17.192 0.597 4.562 147 HB2 ALA 43 HB2 ALA 43 15.431 0.642 4.631 148 HB3 ALA 43 HB3 ALA 43 16.378 0.932 6.090 149 H LEU 44 HN LEU 44 16.460 3.988 6.824 150 HA LEU 44 HA LEU 44 13.672 4.071 7.399 151 HB2 LEU 44 HB2 LEU 44 16.020 5.612 8.478 152 HB3 LEU 44 HB1 LEU 44 14.380 5.938 9.000 153 HG LEU 44 HG LEU 44 15.321 4.537 10.646 154 HD11 LEU 44 HD11 LEU 44 13.654 2.836 8.806 155 HD12 LEU 44 HD12 LEU 44 13.063 3.921 10.067 156 HD13 LEU 44 HD13 LEU 44 13.991 2.485 10.501 157 HD21 LEU 44 HD21 LEU 44 16.191 2.654 8.463 158 HD22 LEU 44 HD22 LEU 44 16.420 2.426 10.197 159 HD23 LEU 44 HD23 LEU 44 17.246 3.743 9.363 160 H SER 45 HN SER 45 15.605 5.802 5.214 161 HA SER 45 HA SER 45 13.681 8.011 5.070 162 HB2 SER 45 HB2 SER 45 16.351 7.627 3.684 163 HB3 SER 45 HB1 SER 45 15.330 9.059 3.552 164 HG SER 45 HG SER 45 16.067 9.729 5.396 165 HA PRO 46 HA PRO 46 11.681 6.262 1.510 166 HB2 PRO 46 HB2 PRO 46 11.359 8.986 0.452 167 HB3 PRO 46 HB1 PRO 46 10.126 7.825 0.951 168 HG2 PRO 46 HG2 PRO 46 10.671 10.030 2.393 169 HG3 PRO 46 HG1 PRO 46 10.188 8.501 3.152 170 HD2 PRO 46 HD2 PRO 46 12.912 9.718 2.897 171 HD3 PRO 46 HD1 PRO 46 12.184 8.859 4.271 172 H THR 47 HN THR 47 13.305 5.255 0.374 173 HA THR 47 HA THR 47 14.073 6.301 -2.111 174 HB THR 47 HB THR 47 15.584 7.744 -0.839 175 HG1 THR 47 HG1 THR 47 17.526 6.039 -1.717 176 HG21 THR 47 HG21 THR 47 17.384 6.823 0.539 177 HG22 THR 47 HG22 THR 47 16.744 5.199 0.294 178 HG23 THR 47 HG23 THR 47 15.798 6.392 1.183 179 H HIS 48 HN HIS 48 15.842 4.818 -3.110 180 HA HIS 48 HA HIS 48 15.657 2.126 -1.930 181 HB2 HIS 48 HB2 HIS 48 14.049 2.519 -3.879 182 HB3 HIS 48 HB1 HIS 48 15.477 2.639 -4.902 183 HD1 HIS 48 HD1 HIS 48 13.738 0.165 -2.608 184 HD2 HIS 48 HD2 HIS 48 16.445 0.219 -5.773 185 HE1 HIS 48 HE1 HIS 48 14.086 -2.246 -3.250 186 HE2 HIS 48 HE2 HIS 48 15.857 -2.200 -5.043 187 H PHE 49 HN PHE 49 17.553 1.097 -1.799 188 HA PHE 49 HA PHE 49 19.873 2.399 -3.051 189 HB2 PHE 49 HB2 PHE 49 19.481 0.985 -0.444 190 HB3 PHE 49 HB1 PHE 49 21.078 0.999 -1.180 191 HD1 PHE 49 HD1 PHE 49 18.353 3.503 -0.634 192 HD2 PHE 49 HD2 PHE 49 22.484 2.548 -0.298 193 HE1 PHE 49 HE1 PHE 49 18.787 5.726 0.330 194 HE2 PHE 49 HE2 PHE 49 22.926 4.764 0.664 195 HZ PHE 49 HZ PHE 49 21.076 6.360 0.978 196 H LYS 50 HN LYS 50 20.762 1.379 -4.672 197 HA LYS 50 HA LYS 50 20.640 -1.561 -4.833 198 HB2 LYS 50 HB2 LYS 50 19.810 -0.152 -6.762 199 HB3 LYS 50 HB1 LYS 50 21.441 0.458 -6.953 200 HG2 LYS 50 HG2 LYS 50 20.732 -2.456 -7.194 201 HG3 LYS 50 HG1 LYS 50 20.740 -1.340 -8.555 202 HD2 LYS 50 HD2 LYS 50 23.162 -0.819 -7.810 203 HD3 LYS 50 HD1 LYS 50 23.041 -2.331 -6.911 204 HE2 LYS 50 HE2 LYS 50 24.033 -2.822 -9.027 205 HE3 LYS 50 HE1 LYS 50 22.387 -3.457 -9.043 206 HZ1 LYS 50 HZ1 LYS 50 23.140 -0.819 -10.178 207 HZ2 LYS 50 HZ2 LYS 50 21.662 -1.635 -10.364 208 HZ3 LYS 50 HZ3 LYS 50 23.068 -2.246 -11.097 209 H LEU 51 HN LEU 51 22.369 -2.521 -3.996 210 HA LEU 51 HA LEU 51 25.015 -1.307 -4.434 211 HB2 LEU 51 HB2 LEU 51 24.197 -1.004 -2.082 212 HB3 LEU 51 HB1 LEU 51 24.141 -2.745 -1.920 213 HG LEU 51 HG LEU 51 26.711 -1.331 -2.596 214 HD11 LEU 51 HD11 LEU 51 25.623 -1.906 0.158 215 HD12 LEU 51 HD12 LEU 51 25.812 -0.307 -0.561 216 HD13 LEU 51 HD13 LEU 51 27.234 -1.294 -0.217 217 HD21 LEU 51 HD21 LEU 51 26.687 -3.746 -2.894 218 HD22 LEU 51 HD22 LEU 51 26.079 -3.960 -1.252 219 HD23 LEU 51 HD23 LEU 51 27.697 -3.309 -1.515 220 H ILE 52 HN ILE 52 26.224 -2.653 -5.647 221 HA ILE 52 HA ILE 52 25.837 -5.528 -5.175 222 HB ILE 52 HB ILE 52 25.100 -4.615 -7.480 223 HG12 ILE 52 HG12 ILE 52 25.442 -7.034 -6.847 224 HG13 ILE 52 HG11 ILE 52 25.617 -6.671 -8.557 225 HG21 ILE 52 HG21 ILE 52 26.838 -4.504 -9.187 226 HG22 ILE 52 HG22 ILE 52 28.074 -4.676 -7.940 227 HG23 ILE 52 HG23 ILE 52 27.040 -3.248 -7.966 228 HD11 ILE 52 HD11 ILE 52 27.860 -7.104 -6.598 229 HD12 ILE 52 HD12 ILE 52 28.048 -6.735 -8.313 230 HD13 ILE 52 HD13 ILE 52 27.296 -8.252 -7.814 231 H ASN 53 HN ASN 53 27.512 -6.547 -4.421 232 HA ASN 53 HA ASN 53 30.195 -5.400 -4.794 233 HB2 ASN 53 HB2 ASN 53 29.713 -4.953 -2.535 234 HB3 ASN 53 HB1 ASN 53 28.895 -6.496 -2.305 235 HD21 ASN 53 HD21 ASN 53 31.929 -4.838 -2.336 236 HD22 ASN 53 HD22 ASN 53 32.873 -6.136 -1.696 237 H ASP 54 HN ASP 54 31.261 -6.731 -6.102 238 HA ASP 54 HA ASP 54 30.949 -9.612 -5.603 239 HB2 ASP 54 HB2 ASP 54 30.154 -8.814 -7.860 240 HB3 ASP 54 HB1 ASP 54 31.822 -8.374 -8.218 241 H SER 55 HN SER 55 32.542 -9.172 -3.917 242 HA SER 55 HA SER 55 35.221 -8.623 -4.348 243 HB2 SER 55 HB2 SER 55 34.175 -10.837 -2.564 244 HB3 SER 55 HB1 SER 55 35.653 -9.896 -2.351 245 HG SER 55 HG SER 55 34.230 -8.032 -2.143 246 H HIS 56 HN HIS 56 36.562 -9.502 -5.846 247 HA HIS 56 HA HIS 56 35.976 -12.056 -6.973 248 HB2 HIS 56 HB2 HIS 56 38.138 -11.783 -8.228 249 HB3 HIS 56 HB1 HIS 56 36.958 -10.512 -8.488 250 HD1 HIS 56 HD1 HIS 56 37.932 -8.258 -8.507 251 HD2 HIS 56 HD2 HIS 56 40.185 -10.866 -6.183 252 HE1 HIS 56 HE1 HIS 56 39.948 -6.946 -7.783 253 HE2 HIS 56 HE2 HIS 56 41.177 -8.484 -6.213 254 H LYS 57 HN LYS 57 36.320 -13.881 -6.013 255 HA LYS 57 HA LYS 57 38.089 -13.981 -3.723 256 HB2 LYS 57 HB2 LYS 57 36.150 -16.011 -4.846 257 HB3 LYS 57 HB1 LYS 57 37.045 -16.201 -3.344 258 HG2 LYS 57 HG2 LYS 57 35.879 -14.416 -2.315 259 HG3 LYS 57 HG1 LYS 57 35.175 -13.906 -3.850 260 HD2 LYS 57 HD2 LYS 57 33.905 -15.993 -3.959 261 HD3 LYS 57 HD1 LYS 57 34.608 -16.505 -2.422 262 HE2 LYS 57 HE2 LYS 57 33.528 -14.730 -1.252 263 HE3 LYS 57 HE1 LYS 57 33.019 -13.968 -2.759 264 HZ1 LYS 57 HZ1 LYS 57 31.208 -15.166 -1.675 265 HZ2 LYS 57 HZ2 LYS 57 32.078 -16.619 -1.781 266 HZ3 LYS 57 HZ3 LYS 57 31.569 -15.829 -3.194 267 H HIS 58 HN HIS 58 38.111 -15.021 -7.014 268 HA HIS 58 HA HIS 58 40.667 -16.344 -6.552 269 HB2 HIS 58 HB2 HIS 58 38.266 -17.662 -7.807 270 HB3 HIS 58 HB1 HIS 58 39.906 -18.217 -8.126 271 HD1 HIS 58 HD1 HIS 58 37.138 -18.642 -5.832 272 HD2 HIS 58 HD2 HIS 58 41.278 -19.035 -5.638 273 HE1 HIS 58 HE1 HIS 58 37.595 -20.049 -3.798 274 HE2 HIS 58 HE2 HIS 58 40.096 -20.364 -3.759 275 H ALA 59 HN ALA 59 42.083 -15.517 -7.896 276 HA ALA 59 HA ALA 59 41.235 -14.656 -10.574 277 HB1 ALA 59 HB1 ALA 59 42.588 -13.074 -9.255 278 HB2 ALA 59 HB2 ALA 59 43.418 -13.580 -10.727 279 HB3 ALA 59 HB3 ALA 59 43.883 -14.268 -9.171 280 H GLY 60 HN GLY 60 42.393 -15.481 -12.448 281 HA2 GLY 60 HA2 GLY 60 43.730 -18.050 -11.918 282 HA3 GLY 60 HA1 GLY 60 42.361 -17.985 -13.011 283 H HIS 61 HN HIS 61 43.038 -18.280 -14.969 284 HA HIS 61 HA HIS 61 45.750 -17.946 -15.748 285 HB2 HIS 61 HB2 HIS 61 43.933 -19.612 -16.578 286 HB3 HIS 61 HB1 HIS 61 43.474 -18.315 -17.675 287 HD1 HIS 61 HD1 HIS 61 45.811 -21.068 -17.251 288 HD2 HIS 61 HD2 HIS 61 45.616 -17.599 -19.538 289 HE1 HIS 61 HE1 HIS 61 47.504 -21.372 -19.094 290 HE2 HIS 61 HE2 HIS 61 47.170 -19.374 -20.598 291 H TYR 62 HN TYR 62 43.015 -15.889 -15.832 292 HA TYR 62 HA TYR 62 43.970 -14.273 -18.028 293 HB2 TYR 62 HB2 TYR 62 41.594 -13.939 -16.189 294 HB3 TYR 62 HB1 TYR 62 41.932 -12.929 -17.593 295 HD1 TYR 62 HD1 TYR 62 41.691 -13.828 -19.858 296 HD2 TYR 62 HD2 TYR 62 40.760 -16.199 -16.449 297 HE1 TYR 62 HE1 TYR 62 40.525 -15.441 -21.302 298 HE2 TYR 62 HE2 TYR 62 39.590 -17.814 -17.884 299 HH TYR 62 HH TYR 62 39.869 -17.808 -21.266 300 H ALA 63 HN ALA 63 45.431 -14.539 -15.385 301 HA ALA 63 HA ALA 63 45.545 -11.786 -14.473 302 HB1 ALA 63 HB1 ALA 63 47.308 -12.580 -12.979 303 HB2 ALA 63 HB2 ALA 63 47.308 -14.144 -13.792 304 HB3 ALA 63 HB3 ALA 63 45.891 -13.623 -12.881 305 H ARG 64 HN ARG 64 48.221 -11.264 -14.200 306 HA ARG 64 HA ARG 64 49.212 -11.398 -16.969 307 HB2 ARG 64 HB2 ARG 64 48.303 -9.163 -16.439 308 HB3 ARG 64 HB1 ARG 64 49.439 -9.033 -15.103 309 HG2 ARG 64 HG2 ARG 64 51.304 -9.061 -16.622 310 HG3 ARG 64 HG1 ARG 64 50.224 -9.357 -17.989 311 HD2 ARG 64 HD2 ARG 64 50.275 -6.895 -16.245 312 HD3 ARG 64 HD1 ARG 64 50.857 -7.012 -17.906 313 HE ARG 64 HE ARG 64 48.186 -7.817 -17.872 314 HH11 ARG 64 HH11 ARG 64 50.063 -4.901 -17.359 315 HH12 ARG 64 HH12 ARG 64 48.771 -3.841 -17.849 316 HH21 ARG 64 HH21 ARG 64 46.475 -6.425 -18.454 317 HH22 ARG 64 HH22 ARG 64 46.728 -4.698 -18.423 318 H ASP 65 HN ASP 65 50.304 -10.564 -13.665 319 HA ASP 65 HA ASP 65 52.623 -12.273 -13.971 320 HB2 ASP 65 HB2 ASP 65 53.217 -10.093 -15.117 321 HB3 ASP 65 HB1 ASP 65 53.062 -9.309 -13.549 322 H GLY 66 HN GLY 66 52.289 -9.362 -12.000 323 HA2 GLY 66 HA2 GLY 66 51.619 -10.961 -9.656 324 HA3 GLY 66 HA1 GLY 66 53.168 -10.129 -9.636 325 H SER 67 HN SER 67 49.709 -9.556 -10.144 326 HA SER 67 HA SER 67 50.095 -6.773 -9.361 327 HB2 SER 67 HB2 SER 67 47.657 -6.573 -10.050 328 HB3 SER 67 HB1 SER 67 48.783 -6.993 -11.340 329 HG SER 67 HG SER 67 46.651 -8.255 -10.903 330 H THR 68 HN THR 68 48.871 -5.806 -7.710 331 HA THR 68 HA THR 68 48.386 -7.558 -5.463 332 HB THR 68 HB THR 68 49.567 -5.445 -5.094 333 HG1 THR 68 HG1 THR 68 47.004 -5.707 -3.882 334 HG21 THR 68 HG21 THR 68 48.540 -4.070 -6.802 335 HG22 THR 68 HG22 THR 68 48.342 -3.301 -5.227 336 HG23 THR 68 HG23 THR 68 46.987 -4.147 -5.975 337 H ALA 69 HN ALA 69 46.611 -7.245 -7.963 338 HA ALA 69 HA ALA 69 44.436 -7.367 -8.534 339 HB1 ALA 69 HB1 ALA 69 42.795 -8.079 -6.890 340 HB2 ALA 69 HB2 ALA 69 43.928 -7.725 -5.584 341 HB3 ALA 69 HB3 ALA 69 44.282 -9.014 -6.734 342 H SER 70 HN SER 70 43.777 -5.522 -9.362 343 HA SER 70 HA SER 70 42.546 -3.570 -7.586 344 HB2 SER 70 HB2 SER 70 44.914 -2.826 -7.997 345 HB3 SER 70 HB1 SER 70 44.538 -2.747 -9.717 346 HG SER 70 HG SER 70 44.347 -0.718 -8.554 347 H ASP 71 HN ASP 71 41.792 -1.696 -9.380 348 HA ASP 71 HA ASP 71 40.520 -3.115 -11.597 349 HB2 ASP 71 HB2 ASP 71 38.912 -3.259 -9.765 350 HB3 ASP 71 HB1 ASP 71 39.007 -1.518 -9.523 351 H ALA 72 HN ALA 72 39.665 0.010 -10.244 352 HA ALA 72 HA ALA 72 39.689 2.125 -11.072 353 HB1 ALA 72 HB1 ALA 72 41.759 2.893 -12.122 354 HB2 ALA 72 HB2 ALA 72 42.282 1.223 -12.330 355 HB3 ALA 72 HB3 ALA 72 42.098 1.892 -10.709 356 H GLY 73 HN GLY 73 38.298 0.060 -12.586 357 HA2 GLY 73 HA2 GLY 73 38.192 1.432 -15.160 358 HA3 GLY 73 HA1 GLY 73 38.646 -0.262 -15.199 359 H GLU 74 HN GLU 74 37.036 -1.644 -13.737 360 HA GLU 74 HA GLU 74 34.486 -1.152 -15.072 361 HB2 GLU 74 HB2 GLU 74 35.621 -3.344 -15.354 362 HB3 GLU 74 HB1 GLU 74 35.434 -3.630 -13.628 363 HG2 GLU 74 HG2 GLU 74 32.978 -3.449 -13.913 364 HG3 GLU 74 HG1 GLU 74 33.227 -3.310 -15.652 365 H THR 75 HN THR 75 35.888 -1.260 -11.913 366 HA THR 75 HA THR 75 35.114 -1.197 -9.803 367 HB THR 75 HB THR 75 33.193 0.315 -9.319 368 HG1 THR 75 HG1 THR 75 32.544 -0.177 -11.823 369 HG21 THR 75 HG21 THR 75 34.289 2.352 -10.120 370 HG22 THR 75 HG22 THR 75 35.249 1.393 -11.247 371 HG23 THR 75 HG23 THR 75 35.462 1.185 -9.510 372 H HIS 76 HN HIS 76 34.612 -3.150 -9.065 373 HA HIS 76 HA HIS 76 32.238 -4.504 -10.091 374 HB2 HIS 76 HB2 HIS 76 34.778 -5.397 -9.484 375 HB3 HIS 76 HB1 HIS 76 33.833 -5.945 -8.105 376 HD1 HIS 76 HD1 HIS 76 31.932 -5.851 -11.256 377 HD2 HIS 76 HD2 HIS 76 34.329 -8.570 -9.211 378 HE1 HIS 76 HE1 HIS 76 31.431 -8.098 -12.267 379 HE2 HIS 76 HE2 HIS 76 32.770 -9.743 -10.911 380 H PHE 77 HN PHE 77 32.826 -2.387 -7.764 381 HA PHE 77 HA PHE 77 30.522 -3.322 -6.198 382 HB2 PHE 77 HB2 PHE 77 32.656 -3.268 -4.862 383 HB3 PHE 77 HB1 PHE 77 32.807 -1.559 -5.236 384 HD1 PHE 77 HD1 PHE 77 30.637 -0.131 -4.555 385 HD2 PHE 77 HD2 PHE 77 31.785 -3.846 -2.837 386 HE1 PHE 77 HE1 PHE 77 29.356 0.415 -2.529 387 HE2 PHE 77 HE2 PHE 77 30.500 -3.310 -0.813 388 HZ PHE 77 HZ PHE 77 29.284 -1.179 -0.656 389 H ARG 78 HN ARG 78 28.835 -1.829 -6.197 390 HA ARG 78 HA ARG 78 29.422 0.932 -6.876 391 HB2 ARG 78 HB2 ARG 78 27.680 1.017 -8.644 392 HB3 ARG 78 HB1 ARG 78 29.069 0.034 -9.078 393 HG2 ARG 78 HG2 ARG 78 27.718 -1.968 -8.353 394 HG3 ARG 78 HG1 ARG 78 26.326 -0.886 -8.277 395 HD2 ARG 78 HD2 ARG 78 28.043 -1.196 -10.730 396 HD3 ARG 78 HD1 ARG 78 26.618 -2.185 -10.427 397 HE ARG 78 HE ARG 78 25.496 0.170 -10.255 398 HH11 ARG 78 HH11 ARG 78 27.995 -0.836 -12.494 399 HH12 ARG 78 HH12 ARG 78 27.459 0.213 -13.774 400 HH21 ARG 78 HH21 ARG 78 24.758 1.524 -11.946 401 HH22 ARG 78 HH22 ARG 78 25.617 1.545 -13.459 402 H LEU 79 HN LEU 79 27.998 2.387 -6.106 403 HA LEU 79 HA LEU 79 25.746 1.334 -4.533 404 HB2 LEU 79 HB2 LEU 79 27.697 2.245 -3.206 405 HB3 LEU 79 HB1 LEU 79 27.367 3.806 -3.927 406 HG LEU 79 HG LEU 79 26.507 3.408 -1.564 407 HD11 LEU 79 HD11 LEU 79 24.439 4.639 -1.953 408 HD12 LEU 79 HD12 LEU 79 24.536 4.264 -3.673 409 HD13 LEU 79 HD13 LEU 79 25.763 5.285 -2.923 410 HD21 LEU 79 HD21 LEU 79 25.631 1.176 -1.848 411 HD22 LEU 79 HD22 LEU 79 24.502 1.745 -3.077 412 HD23 LEU 79 HD23 LEU 79 24.326 2.278 -1.404 413 H GLU 80 HN GLU 80 23.853 1.912 -5.351 414 HA GLU 80 HA GLU 80 23.661 4.510 -6.726 415 HB2 GLU 80 HB2 GLU 80 22.441 1.879 -7.587 416 HB3 GLU 80 HB1 GLU 80 22.095 3.435 -8.329 417 HG2 GLU 80 HG2 GLU 80 24.306 3.634 -9.152 418 HG3 GLU 80 HG1 GLU 80 24.858 2.266 -8.185 419 H VAL 81 HN VAL 81 22.003 5.757 -6.029 420 HA VAL 81 HA VAL 81 19.776 4.398 -4.679 421 HB VAL 81 HB VAL 81 19.706 5.777 -2.848 422 HG11 VAL 81 HG11 VAL 81 21.748 4.456 -2.744 423 HG12 VAL 81 HG12 VAL 81 21.927 5.989 -1.890 424 HG13 VAL 81 HG13 VAL 81 22.648 5.779 -3.486 425 HG21 VAL 81 HG21 VAL 81 20.765 7.987 -2.661 426 HG22 VAL 81 HG22 VAL 81 19.609 7.904 -3.990 427 HG23 VAL 81 HG23 VAL 81 21.338 7.836 -4.324 428 H THR 82 HN THR 82 17.802 5.129 -5.178 429 HA THR 82 HA THR 82 17.600 7.534 -6.817 430 HB THR 82 HB THR 82 15.860 5.059 -7.025 431 HG1 THR 82 HG1 THR 82 17.989 6.045 -8.639 432 HG21 THR 82 HG21 THR 82 14.665 7.123 -7.579 433 HG22 THR 82 HG22 THR 82 14.947 6.152 -9.022 434 HG23 THR 82 HG23 THR 82 15.948 7.569 -8.704 435 H SER 83 HN SER 83 16.742 9.035 -5.588 436 HA SER 83 HA SER 83 14.433 8.360 -3.891 437 HB2 SER 83 HB2 SER 83 16.094 10.838 -3.516 438 HB3 SER 83 HB1 SER 83 15.108 9.978 -2.335 439 HG SER 83 HG SER 83 16.790 8.213 -2.766 440 H ASP 84 HN ASP 84 12.575 9.205 -4.606 441 HA ASP 84 HA ASP 84 11.056 10.644 -5.516 442 HB2 ASP 84 HB2 ASP 84 13.437 12.476 -5.809 443 HB3 ASP 84 HB1 ASP 84 11.803 12.928 -6.277 444 H ALA 85 HN ALA 85 13.697 9.397 -7.138 445 HA ALA 85 HA ALA 85 13.887 8.452 -9.186 446 HB1 ALA 85 HB1 ALA 85 11.506 7.884 -8.945 447 HB2 ALA 85 HB2 ALA 85 11.971 8.183 -10.620 448 HB3 ALA 85 HB3 ALA 85 11.082 9.411 -9.720 449 H PHE 86 HN PHE 86 14.343 11.449 -8.648 450 HA PHE 86 HA PHE 86 14.867 12.086 -11.450 451 HB2 PHE 86 HB2 PHE 86 13.475 13.923 -9.486 452 HB3 PHE 86 HB1 PHE 86 14.236 14.497 -10.964 453 HD1 PHE 86 HD1 PHE 86 13.328 13.797 -13.165 454 HD2 PHE 86 HD2 PHE 86 11.333 12.917 -9.510 455 HE1 PHE 86 HE1 PHE 86 11.245 13.372 -14.406 456 HE2 PHE 86 HE2 PHE 86 9.249 12.487 -10.743 457 HZ PHE 86 HZ PHE 86 9.204 12.717 -13.196 458 H LYS 87 HN LYS 87 16.685 13.456 -11.721 459 HA LYS 87 HA LYS 87 18.353 13.634 -9.323 460 HB2 LYS 87 HB2 LYS 87 18.936 12.796 -11.894 461 HB3 LYS 87 HB1 LYS 87 19.578 14.432 -11.854 462 HG2 LYS 87 HG2 LYS 87 20.265 12.208 -9.939 463 HG3 LYS 87 HG1 LYS 87 21.280 12.810 -11.251 464 HD2 LYS 87 HD2 LYS 87 20.328 14.421 -8.888 465 HD3 LYS 87 HD1 LYS 87 21.942 13.709 -9.054 466 HE2 LYS 87 HE2 LYS 87 22.221 15.034 -11.159 467 HE3 LYS 87 HE1 LYS 87 20.699 15.844 -10.789 468 HZ1 LYS 87 HZ1 LYS 87 22.233 17.286 -9.911 469 HZ2 LYS 87 HZ2 LYS 87 23.301 16.059 -9.441 470 HZ3 LYS 87 HZ3 LYS 87 21.891 16.338 -8.546 471 H GLY 88 HN GLY 88 18.545 15.547 -8.324 472 HA2 GLY 88 HA2 GLY 88 18.407 17.990 -9.932 473 HA3 GLY 88 HA1 GLY 88 17.242 17.809 -8.630 474 H LEU 89 HN LEU 89 18.868 16.630 -6.677 475 HA LEU 89 HA LEU 89 20.450 18.954 -5.943 476 HB2 LEU 89 HB2 LEU 89 20.645 17.787 -3.720 477 HB3 LEU 89 HB1 LEU 89 19.033 18.269 -4.203 478 HG LEU 89 HG LEU 89 18.665 15.865 -4.937 479 HD11 LEU 89 HD11 LEU 89 21.169 15.417 -3.316 480 HD12 LEU 89 HD12 LEU 89 20.999 15.162 -5.052 481 HD13 LEU 89 HD13 LEU 89 20.086 14.162 -3.921 482 HD21 LEU 89 HD21 LEU 89 18.191 15.120 -2.670 483 HD22 LEU 89 HD22 LEU 89 17.730 16.808 -2.894 484 HD23 LEU 89 HD23 LEU 89 19.211 16.405 -2.025 485 H THR 90 HN THR 90 22.580 18.709 -4.969 486 HA THR 90 HA THR 90 24.405 17.328 -6.564 487 HB THR 90 HB THR 90 26.037 17.739 -4.668 488 HG1 THR 90 HG1 THR 90 23.639 18.707 -3.487 489 HG21 THR 90 HG21 THR 90 25.697 19.350 -6.492 490 HG22 THR 90 HG22 THR 90 26.050 20.157 -4.964 491 HG23 THR 90 HG23 THR 90 24.396 20.107 -5.573 492 H LEU 91 HN LEU 91 24.995 15.266 -6.646 493 HA LEU 91 HA LEU 91 23.489 13.415 -5.100 494 HB2 LEU 91 HB2 LEU 91 24.298 11.728 -6.508 495 HB3 LEU 91 HB1 LEU 91 24.085 13.140 -7.517 496 HG LEU 91 HG LEU 91 26.755 12.224 -6.449 497 HD11 LEU 91 HD11 LEU 91 27.135 11.381 -8.725 498 HD12 LEU 91 HD12 LEU 91 25.462 11.764 -9.134 499 HD13 LEU 91 HD13 LEU 91 25.813 10.537 -7.917 500 HD21 LEU 91 HD21 LEU 91 26.666 14.600 -7.022 501 HD22 LEU 91 HD22 LEU 91 26.027 14.197 -8.615 502 HD23 LEU 91 HD23 LEU 91 27.662 13.704 -8.170 503 H VAL 92 HN VAL 92 26.683 14.706 -4.821 504 HA VAL 92 HA VAL 92 27.952 12.661 -3.397 505 HB VAL 92 HB VAL 92 29.416 14.418 -2.449 506 HG11 VAL 92 HG11 VAL 92 30.307 15.214 -4.590 507 HG12 VAL 92 HG12 VAL 92 28.815 14.717 -5.389 508 HG13 VAL 92 HG13 VAL 92 29.871 13.507 -4.659 509 HG21 VAL 92 HG21 VAL 92 27.727 16.161 -2.119 510 HG22 VAL 92 HG22 VAL 92 27.566 16.337 -3.867 511 HG23 VAL 92 HG23 VAL 92 29.084 16.756 -3.073 512 H LYS 93 HN LYS 93 25.482 14.872 -2.417 513 HA LYS 93 HA LYS 93 25.797 14.783 0.374 514 HB2 LYS 93 HB2 LYS 93 24.351 16.423 -0.609 515 HB3 LYS 93 HB1 LYS 93 23.362 15.185 -1.368 516 HG2 LYS 93 HG2 LYS 93 22.611 14.442 0.847 517 HG3 LYS 93 HG1 LYS 93 23.592 15.706 1.586 518 HD2 LYS 93 HD2 LYS 93 21.533 16.380 -0.484 519 HD3 LYS 93 HD1 LYS 93 21.078 16.163 1.204 520 HE2 LYS 93 HE2 LYS 93 22.824 17.862 1.797 521 HE3 LYS 93 HE1 LYS 93 23.041 18.153 0.072 522 HZ1 LYS 93 HZ1 LYS 93 20.781 18.894 -0.095 523 HZ2 LYS 93 HZ2 LYS 93 21.532 19.751 1.162 524 HZ3 LYS 93 HZ3 LYS 93 20.468 18.480 1.518 525 H ARG 94 HN ARG 94 24.071 12.650 -1.863 526 HA ARG 94 HA ARG 94 22.802 11.062 0.117 527 HB2 ARG 94 HB2 ARG 94 23.535 10.402 -2.745 528 HB3 ARG 94 HB1 ARG 94 22.489 9.424 -1.730 529 HG2 ARG 94 HG2 ARG 94 21.755 12.269 -2.091 530 HG3 ARG 94 HG1 ARG 94 21.560 11.193 -3.473 531 HD2 ARG 94 HD2 ARG 94 19.489 11.122 -2.391 532 HD3 ARG 94 HD1 ARG 94 20.303 9.650 -1.868 533 HE ARG 94 HE ARG 94 20.873 11.533 0.054 534 HH11 ARG 94 HH11 ARG 94 17.989 10.034 -1.273 535 HH12 ARG 94 HH12 ARG 94 17.043 10.293 0.160 536 HH21 ARG 94 HH21 ARG 94 19.618 11.850 1.947 537 HH22 ARG 94 HH22 ARG 94 17.965 11.320 1.991 538 H HIS 95 HN HIS 95 25.874 10.803 -1.611 539 HA HIS 95 HA HIS 95 26.601 8.257 -0.605 540 HB2 HIS 95 HB2 HIS 95 27.691 9.141 -2.582 541 HB3 HIS 95 HB1 HIS 95 28.309 10.515 -1.674 542 HD1 HIS 95 HD1 HIS 95 30.739 10.257 -1.367 543 HD2 HIS 95 HD2 HIS 95 28.772 6.599 -1.095 544 HE1 HIS 95 HE1 HIS 95 32.518 8.572 -0.818 545 HE2 HIS 95 HE2 HIS 95 31.342 6.346 -0.818 546 H GLN 96 HN GLN 96 27.062 11.528 0.579 547 HA GLN 96 HA GLN 96 28.945 10.984 2.595 548 HB2 GLN 96 HB2 GLN 96 28.494 13.245 1.817 549 HB3 GLN 96 HB1 GLN 96 26.841 13.149 2.410 550 HG2 GLN 96 HG2 GLN 96 27.704 12.929 4.700 551 HG3 GLN 96 HG1 GLN 96 29.345 13.114 4.081 552 HE21 GLN 96 HE21 GLN 96 26.370 14.676 4.840 553 HE22 GLN 96 HE22 GLN 96 26.922 16.303 4.640 554 H LEU 97 HN LEU 97 25.442 10.769 2.535 555 HA LEU 97 HA LEU 97 25.011 10.747 5.313 556 HB2 LEU 97 HB2 LEU 97 23.348 9.531 3.110 557 HB3 LEU 97 HB1 LEU 97 22.805 9.794 4.757 558 HG LEU 97 HG LEU 97 23.622 11.974 2.833 559 HD11 LEU 97 HD11 LEU 97 21.541 10.861 2.178 560 HD12 LEU 97 HD12 LEU 97 21.253 12.507 2.743 561 HD13 LEU 97 HD13 LEU 97 20.891 11.139 3.795 562 HD21 LEU 97 HD21 LEU 97 22.385 12.112 5.582 563 HD22 LEU 97 HD22 LEU 97 22.697 13.484 4.519 564 HD23 LEU 97 HD23 LEU 97 24.043 12.549 5.171 565 H ILE 98 HN ILE 98 25.648 8.116 3.041 566 HA ILE 98 HA ILE 98 25.323 6.184 5.216 567 HB ILE 98 HB ILE 98 25.490 4.448 3.470 568 HG12 ILE 98 HG12 ILE 98 25.439 6.753 1.511 569 HG13 ILE 98 HG11 ILE 98 26.886 5.825 1.898 570 HG21 ILE 98 HG21 ILE 98 23.323 5.302 4.164 571 HG22 ILE 98 HG22 ILE 98 23.312 4.893 2.449 572 HG23 ILE 98 HG23 ILE 98 23.424 6.580 2.954 573 HD11 ILE 98 HD11 ILE 98 25.906 5.069 -0.171 574 HD12 ILE 98 HD12 ILE 98 24.369 4.763 0.641 575 HD13 ILE 98 HD13 ILE 98 25.792 3.809 1.057 576 H TYR 99 HN TYR 99 27.752 7.561 3.143 577 HA TYR 99 HA TYR 99 29.961 7.207 2.808 578 HB2 TYR 99 HB2 TYR 99 31.342 7.199 4.845 579 HB3 TYR 99 HB1 TYR 99 30.051 8.385 4.920 580 HD1 TYR 99 HD1 TYR 99 31.144 5.070 6.180 581 HD2 TYR 99 HD2 TYR 99 28.453 8.333 6.666 582 HE1 TYR 99 HE1 TYR 99 30.444 4.164 8.356 583 HE2 TYR 99 HE2 TYR 99 27.749 7.433 8.840 584 HH TYR 99 HH TYR 99 29.447 5.026 10.474 585 H GLY 100 HN GLY 100 28.277 4.707 2.747 586 HA2 GLY 100 HA2 GLY 100 29.876 2.619 3.875 587 HA3 GLY 100 HA1 GLY 100 28.503 2.411 2.799 588 H LEU 101 HN LEU 101 29.537 3.988 0.635 589 HA LEU 101 HA LEU 101 31.277 1.992 -0.494 590 HB2 LEU 101 HB2 LEU 101 29.437 2.997 -1.808 591 HB3 LEU 101 HB1 LEU 101 30.255 4.548 -1.730 592 HG LEU 101 HG LEU 101 31.869 2.329 -2.827 593 HD11 LEU 101 HD11 LEU 101 29.532 3.463 -4.350 594 HD12 LEU 101 HD12 LEU 101 29.688 1.803 -3.777 595 HD13 LEU 101 HD13 LEU 101 30.792 2.419 -5.007 596 HD21 LEU 101 HD21 LEU 101 31.313 5.144 -3.762 597 HD22 LEU 101 HD22 LEU 101 32.541 4.055 -4.408 598 HD23 LEU 101 HD23 LEU 101 32.670 4.646 -2.751 599 H LEU 102 HN LEU 102 33.153 2.110 0.489 600 HA LEU 102 HA LEU 102 35.264 3.450 -0.556 601 HB2 LEU 102 HB2 LEU 102 33.956 5.075 1.542 602 HB3 LEU 102 HB1 LEU 102 35.688 4.874 1.729 603 HG LEU 102 HG LEU 102 34.293 6.044 -0.685 604 HD11 LEU 102 HD11 LEU 102 34.273 7.504 1.277 605 HD12 LEU 102 HD12 LEU 102 35.321 8.132 0.007 606 HD13 LEU 102 HD13 LEU 102 36.023 7.339 1.416 607 HD21 LEU 102 HD21 LEU 102 37.230 5.672 -0.101 608 HD22 LEU 102 HD22 LEU 102 36.565 6.577 -1.459 609 HD23 LEU 102 HD23 LEU 102 36.294 4.839 -1.343 610 H SER 103 HN SER 103 34.367 0.948 0.721 611 HA SER 103 HA SER 103 36.443 0.671 2.758 612 HB2 SER 103 HB2 SER 103 34.765 -0.547 4.215 613 HB3 SER 103 HB1 SER 103 34.515 1.194 4.067 614 HG SER 103 HG SER 103 32.633 0.798 3.223 615 H ASP 104 HN ASP 104 33.749 -1.407 1.711 616 HA ASP 104 HA ASP 104 35.316 -3.744 1.986 617 HB2 ASP 104 HB2 ASP 104 32.770 -3.491 2.191 618 HB3 ASP 104 HB1 ASP 104 32.739 -3.601 0.433 619 H GLU 105 HN GLU 105 34.916 -1.591 -0.664 620 HA GLU 105 HA GLU 105 35.296 -3.365 -2.811 621 HB2 GLU 105 HB2 GLU 105 35.487 -1.494 -4.144 622 HB3 GLU 105 HB1 GLU 105 34.672 -0.805 -2.750 623 HG2 GLU 105 HG2 GLU 105 37.203 -0.397 -2.007 624 HG3 GLU 105 HG1 GLU 105 37.407 -0.385 -3.761 625 H PHE 106 HN PHE 106 37.539 -1.772 -0.629 626 HA PHE 106 HA PHE 106 39.932 -2.450 -1.992 627 HB2 PHE 106 HB2 PHE 106 39.857 -0.662 -0.322 628 HB3 PHE 106 HB1 PHE 106 39.449 -1.827 0.932 629 HD1 PHE 106 HD1 PHE 106 41.125 -2.854 2.166 630 HD2 PHE 106 HD2 PHE 106 42.106 -0.960 -1.519 631 HE1 PHE 106 HE1 PHE 106 43.515 -3.183 2.642 632 HE2 PHE 106 HE2 PHE 106 44.502 -1.287 -1.051 633 HZ PHE 106 HZ PHE 106 45.209 -2.397 1.036 634 H LYS 107 HN LYS 107 38.036 -3.997 0.542 635 HA LYS 107 HA LYS 107 39.756 -6.191 1.016 636 HB2 LYS 107 HB2 LYS 107 37.996 -5.681 2.587 637 HB3 LYS 107 HB1 LYS 107 36.767 -5.852 1.341 638 HG2 LYS 107 HG2 LYS 107 37.411 -8.263 1.158 639 HG3 LYS 107 HG1 LYS 107 38.438 -8.026 2.572 640 HD2 LYS 107 HD2 LYS 107 36.539 -7.438 3.922 641 HD3 LYS 107 HD1 LYS 107 35.480 -7.454 2.510 642 HE2 LYS 107 HE2 LYS 107 36.972 -9.840 3.593 643 HE3 LYS 107 HE1 LYS 107 35.268 -9.490 3.889 644 HZ1 LYS 107 HZ1 LYS 107 34.847 -9.668 1.520 645 HZ2 LYS 107 HZ2 LYS 107 35.573 -11.095 2.093 646 HZ3 LYS 107 HZ3 LYS 107 36.491 -9.971 1.221 647 H ALA 108 HN ALA 108 37.244 -5.532 -1.323 648 HA ALA 108 HA ALA 108 37.121 -8.183 -2.391 649 HB1 ALA 108 HB1 ALA 108 35.565 -5.892 -2.571 650 HB2 ALA 108 HB2 ALA 108 35.298 -7.417 -3.417 651 HB3 ALA 108 HB3 ALA 108 36.201 -6.122 -4.201 652 H GLY 109 HN GLY 109 39.031 -5.344 -3.012 653 HA2 GLY 109 HA2 GLY 109 41.170 -5.500 -4.018 654 HA3 GLY 109 HA1 GLY 109 40.634 -6.930 -4.885 655 H LEU 110 HN LEU 110 38.266 -4.581 -5.050 656 HA LEU 110 HA LEU 110 39.399 -3.497 -7.534 657 HB2 LEU 110 HB2 LEU 110 36.950 -3.256 -8.294 658 HB3 LEU 110 HB1 LEU 110 37.739 -4.805 -8.441 659 HG LEU 110 HG LEU 110 35.333 -4.827 -7.700 660 HD11 LEU 110 HD11 LEU 110 35.668 -6.610 -6.063 661 HD12 LEU 110 HD12 LEU 110 37.365 -6.151 -5.921 662 HD13 LEU 110 HD13 LEU 110 36.741 -6.765 -7.453 663 HD21 LEU 110 HD21 LEU 110 35.330 -2.978 -6.147 664 HD22 LEU 110 HD22 LEU 110 36.510 -3.797 -5.125 665 HD23 LEU 110 HD23 LEU 110 34.888 -4.465 -5.306 666 H HIS 111 HN HIS 111 37.459 -1.619 -8.108 667 HA HIS 111 HA HIS 111 37.433 0.080 -5.707 668 HB2 HIS 111 HB2 HIS 111 38.983 0.778 -7.666 669 HB3 HIS 111 HB1 HIS 111 37.491 1.205 -8.499 670 HD1 HIS 111 HD1 HIS 111 36.309 3.362 -7.762 671 HD2 HIS 111 HD2 HIS 111 39.580 2.377 -5.392 672 HE1 HIS 111 HE1 HIS 111 36.734 5.378 -6.324 673 HE2 HIS 111 HE2 HIS 111 38.729 4.773 -4.909 674 H ALA 112 HN ALA 112 35.632 1.695 -5.733 675 HA ALA 112 HA ALA 112 33.279 0.555 -7.100 676 HB1 ALA 112 HB1 ALA 112 33.410 1.809 -4.369 677 HB2 ALA 112 HB2 ALA 112 33.336 0.078 -4.700 678 HB3 ALA 112 HB3 ALA 112 31.979 1.119 -5.134 679 H LEU 113 HN LEU 113 31.513 2.027 -7.491 680 HA LEU 113 HA LEU 113 32.119 4.880 -7.296 681 HB2 LEU 113 HB2 LEU 113 31.153 5.279 -9.548 682 HB3 LEU 113 HB1 LEU 113 32.684 4.437 -9.567 683 HG LEU 113 HG LEU 113 31.343 2.288 -9.904 684 HD11 LEU 113 HD11 LEU 113 29.125 2.544 -10.901 685 HD12 LEU 113 HD12 LEU 113 29.171 4.274 -10.560 686 HD13 LEU 113 HD13 LEU 113 29.151 3.113 -9.233 687 HD21 LEU 113 HD21 LEU 113 32.618 3.387 -11.671 688 HD22 LEU 113 HD22 LEU 113 31.238 4.427 -12.025 689 HD23 LEU 113 HD23 LEU 113 31.128 2.688 -12.301 690 H SER 114 HN SER 114 30.225 6.234 -7.234 691 HA SER 114 HA SER 114 27.783 4.720 -6.586 692 HB2 SER 114 HB2 SER 114 28.629 7.291 -5.245 693 HB3 SER 114 HB1 SER 114 27.258 6.280 -4.825 694 HG SER 114 HG SER 114 29.554 4.864 -4.817 695 H MET 115 HN MET 115 25.957 5.348 -7.535 696 HA MET 115 HA MET 115 25.853 8.033 -8.754 697 HB2 MET 115 HB2 MET 115 24.607 5.492 -9.848 698 HB3 MET 115 HB1 MET 115 24.402 7.098 -10.527 699 HG2 MET 115 HG2 MET 115 26.773 7.198 -11.054 700 HG3 MET 115 HG1 MET 115 27.009 5.603 -10.339 701 HE1 MET 115 HE1 MET 115 27.980 6.322 -13.265 702 HE2 MET 115 HE2 MET 115 27.464 4.897 -14.159 703 HE3 MET 115 HE3 MET 115 28.171 4.720 -12.553 704 H THR 116 HN THR 116 24.370 9.204 -7.692 705 HA THR 116 HA THR 116 22.083 7.762 -6.538 706 HB THR 116 HB THR 116 22.193 9.086 -4.525 707 HG1 THR 116 HG1 THR 116 23.201 10.908 -5.789 708 HG21 THR 116 HG21 THR 116 23.594 7.071 -4.563 709 HG22 THR 116 HG22 THR 116 24.316 8.335 -3.567 710 HG23 THR 116 HG23 THR 116 24.945 8.023 -5.184 711 H THR 117 HN THR 117 20.233 8.517 -7.265 712 HA THR 117 HA THR 117 20.129 11.294 -8.233 713 HB THR 117 HB THR 117 18.167 10.559 -9.556 714 HG1 THR 117 HG1 THR 117 17.958 8.631 -7.965 715 HG21 THR 117 HG21 THR 117 20.351 10.521 -10.621 716 HG22 THR 117 HG22 THR 117 19.387 9.153 -11.179 717 HG23 THR 117 HG23 THR 117 20.658 8.907 -9.981 718 H LYS 118 HN LYS 118 19.065 12.675 -6.972 719 HA LYS 118 HA LYS 118 16.487 11.904 -5.902 720 HB2 LYS 118 HB2 LYS 118 17.952 11.529 -3.969 721 HB3 LYS 118 HB1 LYS 118 18.600 13.162 -4.121 722 HG2 LYS 118 HG2 LYS 118 16.381 14.084 -3.687 723 HG3 LYS 118 HG1 LYS 118 15.730 12.456 -3.529 724 HD2 LYS 118 HD2 LYS 118 17.139 12.059 -1.589 725 HD3 LYS 118 HD1 LYS 118 17.872 13.654 -1.778 726 HE2 LYS 118 HE2 LYS 118 16.164 13.685 -0.041 727 HE3 LYS 118 HE1 LYS 118 15.703 14.706 -1.400 728 HZ1 LYS 118 HZ1 LYS 118 14.711 11.943 -0.933 729 HZ2 LYS 118 HZ2 LYS 118 14.217 12.978 -2.185 730 HZ3 LYS 118 HZ3 LYS 118 13.853 13.357 -0.571 731 H THR 119 HN THR 119 15.027 13.511 -5.955 732 HA THR 119 HA THR 119 15.570 16.006 -7.199 733 HB THR 119 HB THR 119 13.158 15.163 -5.565 734 HG1 THR 119 HG1 THR 119 12.331 14.696 -7.752 735 HG21 THR 119 HG21 THR 119 13.428 17.262 -7.719 736 HG22 THR 119 HG22 THR 119 13.232 17.575 -5.995 737 HG23 THR 119 HG23 THR 119 11.932 16.804 -6.904 738 HA PRO 120 HA PRO 120 17.255 18.339 -3.836 739 HB2 PRO 120 HB2 PRO 120 15.466 20.528 -4.765 740 HB3 PRO 120 HB1 PRO 120 17.209 20.541 -4.477 741 HG2 PRO 120 HG2 PRO 120 16.233 20.477 -6.956 742 HG3 PRO 120 HG1 PRO 120 17.690 19.565 -6.518 743 HD2 PRO 120 HD2 PRO 120 14.912 18.591 -6.987 744 HD3 PRO 120 HD1 PRO 120 16.463 17.803 -7.340 745 H ALA 121 HN ALA 121 16.739 18.358 -1.759 746 HA ALA 121 HA ALA 121 13.987 18.095 -0.934 747 HB1 ALA 121 HB1 ALA 121 16.505 18.277 0.724 748 HB2 ALA 121 HB2 ALA 121 15.747 16.788 0.159 749 HB3 ALA 121 HB3 ALA 121 14.905 17.822 1.312 750 H GLU 122 HN GLU 122 16.064 20.605 -1.597 751 HA GLU 122 HA GLU 122 14.666 22.507 0.129 752 HB2 GLU 122 HB2 GLU 122 17.063 22.871 -1.692 753 HB3 GLU 122 HB1 GLU 122 16.340 24.149 -0.731 754 HG2 GLU 122 HG2 GLU 122 18.279 23.400 0.409 755 HG3 GLU 122 HG1 GLU 122 16.880 22.822 1.311 756 H GLN 123 HN GLN 123 12.720 22.936 -0.763 757 HA GLN 123 HA GLN 123 12.694 23.946 -3.516 758 HB2 GLN 123 HB2 GLN 123 11.703 21.433 -2.833 759 HB3 GLN 123 HB1 GLN 123 10.275 22.456 -2.862 760 HG2 GLN 123 HG2 GLN 123 12.236 22.389 -5.133 761 HG3 GLN 123 HG1 GLN 123 10.903 21.247 -5.006 762 HE21 GLN 123 HE21 GLN 123 9.971 21.995 -6.908 763 HE22 GLN 123 HE22 GLN 123 9.164 23.524 -7.004 Start of MODEL 10 1 H MET 24 HT3 MET 24 6.267 -4.568 -1.704 2 HA MET 24 HA MET 24 8.571 -4.892 -1.185 3 HB2 MET 24 HB2 MET 24 8.489 -7.190 -0.449 4 HB3 MET 24 HB1 MET 24 6.884 -6.496 -0.286 5 HG2 MET 24 HG2 MET 24 6.159 -7.619 -2.305 6 HG3 MET 24 HG1 MET 24 7.782 -8.258 -2.555 7 HE1 MET 24 HE1 MET 24 5.951 -7.915 0.916 8 HE2 MET 24 HE2 MET 24 5.099 -9.457 1.006 9 HE3 MET 24 HE3 MET 24 4.640 -8.263 -0.209 10 H ALA 25 HN ALA 25 10.581 -5.574 -1.731 11 HA ALA 25 HA ALA 25 11.186 -7.274 -3.919 12 HB1 ALA 25 HB1 ALA 25 10.473 -5.334 -5.239 13 HB2 ALA 25 HB2 ALA 25 12.203 -5.623 -5.419 14 HB3 ALA 25 HB3 ALA 25 11.632 -4.319 -4.379 15 H GLU 26 HN GLU 26 12.551 -4.313 -2.520 16 HA GLU 26 HA GLU 26 14.383 -3.889 -1.258 17 HB2 GLU 26 HB2 GLU 26 14.089 -6.805 -0.511 18 HB3 GLU 26 HB1 GLU 26 15.109 -5.642 0.326 19 HG2 GLU 26 HG2 GLU 26 13.206 -4.374 1.018 20 HG3 GLU 26 HG1 GLU 26 12.126 -5.370 0.043 21 H HIS 27 HN HIS 27 16.592 -5.456 -0.610 22 HA HIS 27 HA HIS 27 17.651 -6.476 -3.127 23 HB2 HIS 27 HB2 HIS 27 18.613 -4.050 -1.725 24 HB3 HIS 27 HB1 HIS 27 19.861 -5.176 -2.246 25 HD1 HIS 27 HD1 HIS 27 20.381 -5.308 -4.718 26 HD2 HIS 27 HD2 HIS 27 17.111 -2.873 -3.874 27 HE1 HIS 27 HE1 HIS 27 19.866 -4.093 -6.862 28 HE2 HIS 27 HE2 HIS 27 17.768 -2.782 -6.384 29 H GLN 28 HN GLN 28 19.470 -7.882 -2.841 30 HA GLN 28 HA GLN 28 19.214 -9.280 -0.294 31 HB2 GLN 28 HB2 GLN 28 20.527 -10.173 -2.866 32 HB3 GLN 28 HB1 GLN 28 20.215 -11.179 -1.456 33 HG2 GLN 28 HG2 GLN 28 17.818 -10.879 -1.755 34 HG3 GLN 28 HG1 GLN 28 18.115 -9.846 -3.151 35 HE21 GLN 28 HE21 GLN 28 16.622 -12.320 -2.967 36 HE22 GLN 28 HE22 GLN 28 17.346 -13.407 -4.099 37 H LEU 29 HN LEU 29 21.283 -10.471 0.416 38 HA LEU 29 HA LEU 29 23.291 -8.478 0.933 39 HB2 LEU 29 HB2 LEU 29 23.117 -11.393 1.711 40 HB3 LEU 29 HB1 LEU 29 24.412 -10.326 2.211 41 HG LEU 29 HG LEU 29 22.560 -8.881 3.267 42 HD11 LEU 29 HD11 LEU 29 21.059 -11.481 2.981 43 HD12 LEU 29 HD12 LEU 29 20.659 -9.960 2.182 44 HD13 LEU 29 HD13 LEU 29 20.551 -10.089 3.937 45 HD21 LEU 29 HD21 LEU 29 24.190 -10.157 4.543 46 HD22 LEU 29 HD22 LEU 29 23.197 -11.606 4.384 47 HD23 LEU 29 HD23 LEU 29 22.602 -10.226 5.306 48 H GLY 30 HN GLY 30 23.612 -11.820 -0.255 49 HA2 GLY 30 HA2 GLY 30 24.930 -12.721 -1.897 50 HA3 GLY 30 HA1 GLY 30 24.935 -11.131 -2.643 51 HA PRO 31 HA PRO 31 29.262 -11.600 -1.469 52 HB2 PRO 31 HB2 PRO 31 29.943 -9.798 -3.586 53 HB3 PRO 31 HB1 PRO 31 30.144 -11.549 -3.545 54 HG2 PRO 31 HG2 PRO 31 28.401 -10.198 -5.212 55 HG3 PRO 31 HG1 PRO 31 28.253 -11.906 -4.762 56 HD2 PRO 31 HD2 PRO 31 26.820 -9.522 -3.664 57 HD3 PRO 31 HD1 PRO 31 26.208 -11.160 -3.982 58 H ILE 32 HN ILE 32 27.206 -9.227 -0.833 59 HA ILE 32 HA ILE 32 29.135 -7.089 -0.370 60 HB ILE 32 HB ILE 32 26.146 -7.263 0.074 61 HG12 ILE 32 HG12 ILE 32 26.187 -5.297 -1.538 62 HG13 ILE 32 HG11 ILE 32 27.882 -5.662 -1.813 63 HG21 ILE 32 HG21 ILE 32 27.984 -4.981 0.769 64 HG22 ILE 32 HG22 ILE 32 27.037 -5.959 1.891 65 HG23 ILE 32 HG23 ILE 32 26.223 -4.894 0.745 66 HD11 ILE 32 HD11 ILE 32 25.582 -7.516 -2.379 67 HD12 ILE 32 HD12 ILE 32 27.287 -7.840 -2.699 68 HD13 ILE 32 HD13 ILE 32 26.455 -6.551 -3.569 69 H ALA 33 HN ALA 33 29.791 -6.406 1.711 70 HA ALA 33 HA ALA 33 29.221 -8.381 3.825 71 HB1 ALA 33 HB1 ALA 33 31.779 -6.847 3.426 72 HB2 ALA 33 HB2 ALA 33 31.518 -8.530 2.972 73 HB3 ALA 33 HB3 ALA 33 31.465 -8.055 4.671 74 H GLY 34 HN GLY 34 31.121 -5.515 4.367 75 HA2 GLY 34 HA2 GLY 34 29.706 -4.840 6.702 76 HA3 GLY 34 HA1 GLY 34 30.883 -3.820 5.893 77 H ALA 35 HN ALA 35 29.320 -3.799 3.402 78 HA ALA 35 HA ALA 35 28.027 -1.354 3.841 79 HB1 ALA 35 HB1 ALA 35 27.265 -1.530 1.542 80 HB2 ALA 35 HB2 ALA 35 27.708 -3.238 1.516 81 HB3 ALA 35 HB3 ALA 35 28.955 -2.005 1.694 82 H ILE 36 HN ILE 36 26.802 -4.598 4.137 83 HA ILE 36 HA ILE 36 24.091 -4.119 3.580 84 HB ILE 36 HB ILE 36 23.558 -6.134 4.804 85 HG12 ILE 36 HG12 ILE 36 26.427 -6.081 5.756 86 HG13 ILE 36 HG11 ILE 36 25.006 -5.809 6.753 87 HG21 ILE 36 HG21 ILE 36 26.112 -6.398 3.223 88 HG22 ILE 36 HG22 ILE 36 24.474 -6.371 2.571 89 HG23 ILE 36 HG23 ILE 36 24.994 -7.710 3.590 90 HD11 ILE 36 HD11 ILE 36 24.268 -8.090 6.357 91 HD12 ILE 36 HD12 ILE 36 25.892 -8.051 7.046 92 HD13 ILE 36 HD13 ILE 36 25.673 -8.368 5.326 93 H LYS 37 HN LYS 37 25.993 -3.375 6.401 94 HA LYS 37 HA LYS 37 23.758 -3.017 8.168 95 HB2 LYS 37 HB2 LYS 37 26.391 -3.366 8.582 96 HB3 LYS 37 HB1 LYS 37 26.343 -1.613 8.651 97 HG2 LYS 37 HG2 LYS 37 24.671 -3.443 10.356 98 HG3 LYS 37 HG1 LYS 37 26.186 -2.698 10.858 99 HD2 LYS 37 HD2 LYS 37 25.185 -0.477 10.532 100 HD3 LYS 37 HD1 LYS 37 23.664 -1.240 10.067 101 HE2 LYS 37 HE2 LYS 37 25.042 -1.513 12.736 102 HE3 LYS 37 HE1 LYS 37 23.630 -0.511 12.403 103 HZ1 LYS 37 HZ1 LYS 37 22.415 -2.543 11.807 104 HZ2 LYS 37 HZ2 LYS 37 22.957 -2.571 13.413 105 HZ3 LYS 37 HZ3 LYS 37 23.768 -3.477 12.230 106 H SER 38 HN SER 38 25.762 -0.968 6.135 107 HA SER 38 HA SER 38 24.778 1.523 7.002 108 HB2 SER 38 HB2 SER 38 26.893 1.378 5.854 109 HB3 SER 38 HB1 SER 38 26.127 0.674 4.432 110 HG SER 38 HG SER 38 26.331 3.302 5.213 111 H LYS 39 HN LYS 39 23.954 -0.414 4.117 112 HA LYS 39 HA LYS 39 22.300 1.516 2.948 113 HB2 LYS 39 HB2 LYS 39 21.509 -0.300 1.486 114 HB3 LYS 39 HB1 LYS 39 23.258 -0.289 1.652 115 HG2 LYS 39 HG2 LYS 39 23.122 -2.121 3.260 116 HG3 LYS 39 HG1 LYS 39 21.365 -2.130 3.101 117 HD2 LYS 39 HD2 LYS 39 21.616 -2.648 0.697 118 HD3 LYS 39 HD1 LYS 39 23.368 -2.715 0.918 119 HE2 LYS 39 HE2 LYS 39 23.115 -4.541 2.503 120 HE3 LYS 39 HE1 LYS 39 21.363 -4.453 2.350 121 HZ1 LYS 39 HZ1 LYS 39 22.173 -6.243 1.025 122 HZ2 LYS 39 HZ2 LYS 39 23.290 -5.245 0.236 123 HZ3 LYS 39 HZ3 LYS 39 21.634 -5.026 -0.019 124 H VAL 40 HN VAL 40 21.547 -0.863 5.390 125 HA VAL 40 HA VAL 40 18.787 -1.114 4.899 126 HB VAL 40 HB VAL 40 20.372 -1.572 7.425 127 HG11 VAL 40 HG11 VAL 40 17.505 -2.332 6.861 128 HG12 VAL 40 HG12 VAL 40 18.031 -1.087 7.993 129 HG13 VAL 40 HG13 VAL 40 18.437 -2.777 8.291 130 HG21 VAL 40 HG21 VAL 40 20.910 -3.057 5.566 131 HG22 VAL 40 HG22 VAL 40 19.203 -3.465 5.387 132 HG23 VAL 40 HG23 VAL 40 20.073 -3.932 6.848 133 H GLU 41 HN GLU 41 20.572 1.225 6.882 134 HA GLU 41 HA GLU 41 18.370 2.096 8.392 135 HB2 GLU 41 HB2 GLU 41 19.683 3.977 9.061 136 HB3 GLU 41 HB1 GLU 41 20.736 2.573 8.978 137 HG2 GLU 41 HG2 GLU 41 21.871 3.362 7.145 138 HG3 GLU 41 HG1 GLU 41 20.536 4.396 6.630 139 H ALA 42 HN ALA 42 19.358 2.856 5.167 140 HA ALA 42 HA ALA 42 18.105 5.350 4.852 141 HB1 ALA 42 HB1 ALA 42 19.738 4.457 3.259 142 HB2 ALA 42 HB2 ALA 42 18.239 4.929 2.458 143 HB3 ALA 42 HB3 ALA 42 18.577 3.226 2.764 144 H ALA 43 HN ALA 43 16.864 2.109 4.875 145 HA ALA 43 HA ALA 43 14.449 2.507 3.480 146 HB1 ALA 43 HB1 ALA 43 13.720 0.427 4.520 147 HB2 ALA 43 HB2 ALA 43 15.070 0.511 5.651 148 HB3 ALA 43 HB3 ALA 43 15.376 0.296 3.928 149 H LEU 44 HN LEU 44 15.419 3.472 6.637 150 HA LEU 44 HA LEU 44 12.843 3.496 7.853 151 HB2 LEU 44 HB2 LEU 44 15.482 4.739 8.532 152 HB3 LEU 44 HB1 LEU 44 14.043 5.167 9.435 153 HG LEU 44 HG LEU 44 15.238 3.476 10.647 154 HD11 LEU 44 HD11 LEU 44 12.817 3.352 10.729 155 HD12 LEU 44 HD12 LEU 44 13.524 1.739 10.818 156 HD13 LEU 44 HD13 LEU 44 12.805 2.305 9.310 157 HD21 LEU 44 HD21 LEU 44 15.660 1.244 9.719 158 HD22 LEU 44 HD22 LEU 44 16.526 2.497 8.829 159 HD23 LEU 44 HD23 LEU 44 15.060 1.788 8.153 160 H SER 45 HN SER 45 14.058 5.336 5.388 161 HA SER 45 HA SER 45 11.962 7.335 5.827 162 HB2 SER 45 HB2 SER 45 14.718 8.034 4.779 163 HB3 SER 45 HB1 SER 45 13.399 9.150 5.137 164 HG SER 45 HG SER 45 13.714 7.915 7.359 165 HA PRO 46 HA PRO 46 10.623 6.347 1.745 166 HB2 PRO 46 HB2 PRO 46 10.627 9.278 1.188 167 HB3 PRO 46 HB1 PRO 46 9.334 8.091 0.972 168 HG2 PRO 46 HG2 PRO 46 9.272 9.793 3.016 169 HG3 PRO 46 HG1 PRO 46 8.764 8.107 3.225 170 HD2 PRO 46 HD2 PRO 46 11.294 9.443 4.074 171 HD3 PRO 46 HD1 PRO 46 10.358 8.174 4.889 172 H THR 47 HN THR 47 12.162 5.430 0.516 173 HA THR 47 HA THR 47 13.504 6.877 -1.475 174 HB THR 47 HB THR 47 14.906 7.556 0.521 175 HG1 THR 47 HG1 THR 47 16.859 6.360 -0.825 176 HG21 THR 47 HG21 THR 47 14.844 5.426 1.727 177 HG22 THR 47 HG22 THR 47 16.504 5.928 1.402 178 HG23 THR 47 HG23 THR 47 15.759 4.661 0.427 179 H HIS 48 HN HIS 48 15.175 5.468 -2.572 180 HA HIS 48 HA HIS 48 14.679 2.592 -2.190 181 HB2 HIS 48 HB2 HIS 48 13.460 3.111 -4.162 182 HB3 HIS 48 HB1 HIS 48 14.685 4.237 -4.724 183 HD1 HIS 48 HD1 HIS 48 13.836 0.584 -4.644 184 HD2 HIS 48 HD2 HIS 48 16.790 3.095 -6.165 185 HE1 HIS 48 HE1 HIS 48 15.148 -0.810 -6.276 186 HE2 HIS 48 HE2 HIS 48 16.755 0.804 -7.363 187 H PHE 49 HN PHE 49 16.544 1.505 -1.850 188 HA PHE 49 HA PHE 49 19.040 2.920 -2.503 189 HB2 PHE 49 HB2 PHE 49 20.067 1.806 -0.556 190 HB3 PHE 49 HB1 PHE 49 18.713 2.829 -0.102 191 HD1 PHE 49 HD1 PHE 49 20.060 -0.523 -0.135 192 HD2 PHE 49 HD2 PHE 49 16.558 1.793 0.571 193 HE1 PHE 49 HE1 PHE 49 19.065 -2.408 1.089 194 HE2 PHE 49 HE2 PHE 49 15.556 -0.092 1.794 195 HZ PHE 49 HZ PHE 49 16.810 -2.196 2.058 196 H LYS 50 HN LYS 50 20.456 1.981 -3.750 197 HA LYS 50 HA LYS 50 20.324 -0.934 -4.133 198 HB2 LYS 50 HB2 LYS 50 19.375 0.052 -6.099 199 HB3 LYS 50 HB1 LYS 50 20.650 1.256 -6.185 200 HG2 LYS 50 HG2 LYS 50 22.243 -0.687 -6.568 201 HG3 LYS 50 HG1 LYS 50 20.796 -1.665 -6.836 202 HD2 LYS 50 HD2 LYS 50 20.106 -0.266 -8.646 203 HD3 LYS 50 HD1 LYS 50 21.387 0.898 -8.301 204 HE2 LYS 50 HE2 LYS 50 23.023 -0.983 -8.766 205 HE3 LYS 50 HE1 LYS 50 21.646 -1.888 -9.399 206 HZ1 LYS 50 HZ1 LYS 50 22.581 0.755 -10.375 207 HZ2 LYS 50 HZ2 LYS 50 21.252 -0.108 -10.987 208 HZ3 LYS 50 HZ3 LYS 50 22.821 -0.734 -11.161 209 H LEU 51 HN LEU 51 22.149 -1.720 -3.243 210 HA LEU 51 HA LEU 51 24.675 -0.429 -4.014 211 HB2 LEU 51 HB2 LEU 51 24.104 -0.075 -1.602 212 HB3 LEU 51 HB1 LEU 51 24.111 -1.811 -1.385 213 HG LEU 51 HG LEU 51 26.573 -0.450 -2.414 214 HD11 LEU 51 HD11 LEU 51 25.890 0.835 -0.452 215 HD12 LEU 51 HD12 LEU 51 27.324 -0.134 -0.112 216 HD13 LEU 51 HD13 LEU 51 25.746 -0.654 0.481 217 HD21 LEU 51 HD21 LEU 51 26.438 -2.911 -2.376 218 HD22 LEU 51 HD22 LEU 51 26.125 -2.855 -0.640 219 HD23 LEU 51 HD23 LEU 51 27.673 -2.296 -1.279 220 H ILE 52 HN ILE 52 25.668 -1.752 -5.412 221 HA ILE 52 HA ILE 52 25.820 -4.587 -4.672 222 HB ILE 52 HB ILE 52 25.840 -5.257 -7.050 223 HG12 ILE 52 HG12 ILE 52 24.581 -3.360 -8.506 224 HG13 ILE 52 HG11 ILE 52 25.554 -2.327 -7.466 225 HG21 ILE 52 HG21 ILE 52 23.438 -5.055 -7.428 226 HG22 ILE 52 HG22 ILE 52 23.348 -3.802 -6.190 227 HG23 ILE 52 HG23 ILE 52 23.808 -5.447 -5.749 228 HD11 ILE 52 HD11 ILE 52 27.567 -3.464 -8.213 229 HD12 ILE 52 HD12 ILE 52 26.662 -2.802 -9.575 230 HD13 ILE 52 HD13 ILE 52 26.594 -4.530 -9.226 231 H ASN 53 HN ASN 53 27.834 -5.435 -4.634 232 HA ASN 53 HA ASN 53 29.844 -4.126 -6.316 233 HB2 ASN 53 HB2 ASN 53 31.596 -4.957 -4.654 234 HB3 ASN 53 HB1 ASN 53 30.651 -3.547 -4.199 235 HD21 ASN 53 HD21 ASN 53 29.387 -3.617 -2.462 236 HD22 ASN 53 HD22 ASN 53 29.314 -4.955 -1.371 237 H ASP 54 HN ASP 54 30.588 -5.345 -7.830 238 HA ASP 54 HA ASP 54 29.987 -8.071 -8.164 239 HB2 ASP 54 HB2 ASP 54 30.514 -6.640 -10.047 240 HB3 ASP 54 HB1 ASP 54 32.129 -6.339 -9.419 241 H SER 55 HN SER 55 32.719 -6.417 -6.737 242 HA SER 55 HA SER 55 34.393 -7.076 -5.371 243 HB2 SER 55 HB2 SER 55 32.631 -9.515 -5.104 244 HB3 SER 55 HB1 SER 55 34.106 -9.281 -4.165 245 HG SER 55 HG SER 55 31.674 -7.866 -4.064 246 H HIS 56 HN HIS 56 35.655 -9.528 -4.968 247 HA HIS 56 HA HIS 56 36.384 -10.458 -7.643 248 HB2 HIS 56 HB2 HIS 56 38.737 -10.258 -7.258 249 HB3 HIS 56 HB1 HIS 56 38.028 -8.694 -6.888 250 HD1 HIS 56 HD1 HIS 56 40.430 -10.994 -5.612 251 HD2 HIS 56 HD2 HIS 56 37.583 -8.496 -3.886 252 HE1 HIS 56 HE1 HIS 56 41.128 -10.721 -3.213 253 HE2 HIS 56 HE2 HIS 56 39.503 -9.058 -2.242 254 H LYS 57 HN LYS 57 36.887 -12.608 -7.749 255 HA LYS 57 HA LYS 57 36.514 -14.130 -5.281 256 HB2 LYS 57 HB2 LYS 57 36.495 -14.972 -8.188 257 HB3 LYS 57 HB1 LYS 57 36.322 -16.088 -6.839 258 HG2 LYS 57 HG2 LYS 57 34.285 -14.950 -6.141 259 HG3 LYS 57 HG1 LYS 57 34.464 -13.801 -7.467 260 HD2 LYS 57 HD2 LYS 57 34.207 -15.592 -9.085 261 HD3 LYS 57 HD1 LYS 57 34.115 -16.783 -7.784 262 HE2 LYS 57 HE2 LYS 57 32.068 -15.774 -6.966 263 HE3 LYS 57 HE1 LYS 57 32.179 -14.501 -8.181 264 HZ1 LYS 57 HZ1 LYS 57 30.600 -16.242 -8.805 265 HZ2 LYS 57 HZ2 LYS 57 31.843 -17.397 -8.771 266 HZ3 LYS 57 HZ3 LYS 57 31.886 -16.143 -9.909 267 H HIS 58 HN HIS 58 37.925 -16.330 -5.473 268 HA HIS 58 HA HIS 58 40.663 -15.296 -5.505 269 HB2 HIS 58 HB2 HIS 58 39.285 -17.437 -3.967 270 HB3 HIS 58 HB1 HIS 58 40.994 -17.668 -4.326 271 HD1 HIS 58 HD1 HIS 58 42.676 -16.177 -3.123 272 HD2 HIS 58 HD2 HIS 58 38.715 -15.300 -2.209 273 HE1 HIS 58 HE1 HIS 58 42.762 -14.652 -1.121 274 HE2 HIS 58 HE2 HIS 58 40.350 -14.276 -0.485 275 H ALA 59 HN ALA 59 41.970 -15.776 -7.077 276 HA ALA 59 HA ALA 59 41.386 -18.089 -8.780 277 HB1 ALA 59 HB1 ALA 59 41.680 -15.974 -9.937 278 HB2 ALA 59 HB2 ALA 59 42.987 -17.084 -10.352 279 HB3 ALA 59 HB3 ALA 59 43.273 -15.773 -9.207 280 H GLY 60 HN GLY 60 42.089 -19.580 -7.152 281 HA2 GLY 60 HA2 GLY 60 44.996 -19.647 -6.718 282 HA3 GLY 60 HA1 GLY 60 43.804 -20.583 -5.822 283 H HIS 61 HN HIS 61 42.322 -21.718 -7.755 284 HA HIS 61 HA HIS 61 43.990 -23.804 -8.728 285 HB2 HIS 61 HB2 HIS 61 41.541 -23.977 -8.080 286 HB3 HIS 61 HB1 HIS 61 41.166 -23.193 -9.610 287 HD1 HIS 61 HD1 HIS 61 42.907 -26.305 -8.328 288 HD2 HIS 61 HD2 HIS 61 40.919 -24.918 -11.706 289 HE1 HIS 61 HE1 HIS 61 42.701 -28.293 -9.859 290 HE2 HIS 61 HE2 HIS 61 41.687 -27.374 -11.978 291 H TYR 62 HN TYR 62 42.880 -20.798 -9.996 292 HA TYR 62 HA TYR 62 43.933 -21.463 -12.650 293 HB2 TYR 62 HB2 TYR 62 41.692 -20.443 -12.621 294 HB3 TYR 62 HB1 TYR 62 42.324 -19.060 -11.736 295 HD1 TYR 62 HD1 TYR 62 42.892 -20.925 -14.925 296 HD2 TYR 62 HD2 TYR 62 42.913 -17.167 -12.927 297 HE1 TYR 62 HE1 TYR 62 43.386 -19.805 -17.054 298 HE2 TYR 62 HE2 TYR 62 43.410 -16.033 -15.054 299 HH TYR 62 HH TYR 62 43.141 -17.600 -18.073 300 H ALA 63 HN ALA 63 46.106 -21.293 -12.455 301 HA ALA 63 HA ALA 63 47.289 -19.188 -10.871 302 HB1 ALA 63 HB1 ALA 63 48.619 -21.323 -12.535 303 HB2 ALA 63 HB2 ALA 63 48.243 -21.440 -10.816 304 HB3 ALA 63 HB3 ALA 63 49.418 -20.253 -11.384 305 H ARG 64 HN ARG 64 46.696 -17.321 -11.999 306 HA ARG 64 HA ARG 64 47.692 -16.942 -14.707 307 HB2 ARG 64 HB2 ARG 64 45.494 -15.992 -13.909 308 HB3 ARG 64 HB1 ARG 64 46.406 -14.920 -12.858 309 HG2 ARG 64 HG2 ARG 64 45.891 -13.630 -14.735 310 HG3 ARG 64 HG1 ARG 64 47.575 -14.104 -14.963 311 HD2 ARG 64 HD2 ARG 64 46.846 -15.926 -16.440 312 HD3 ARG 64 HD1 ARG 64 45.172 -15.410 -16.237 313 HE ARG 64 HE ARG 64 47.250 -14.090 -17.806 314 HH11 ARG 64 HH11 ARG 64 44.015 -13.913 -16.466 315 HH12 ARG 64 HH12 ARG 64 43.464 -12.742 -17.623 316 HH21 ARG 64 HH21 ARG 64 46.520 -12.575 -19.343 317 HH22 ARG 64 HH22 ARG 64 44.888 -11.977 -19.264 318 H ASP 65 HN ASP 65 49.649 -16.100 -15.145 319 HA ASP 65 HA ASP 65 51.214 -15.060 -12.882 320 HB2 ASP 65 HB2 ASP 65 52.171 -17.002 -14.076 321 HB3 ASP 65 HB1 ASP 65 52.180 -16.069 -15.569 322 H GLY 66 HN GLY 66 50.307 -14.386 -16.229 323 HA2 GLY 66 HA2 GLY 66 51.696 -11.846 -16.252 324 HA3 GLY 66 HA1 GLY 66 50.684 -12.496 -17.533 325 H SER 67 HN SER 67 50.287 -11.463 -14.161 326 HA SER 67 HA SER 67 48.303 -9.505 -14.949 327 HB2 SER 67 HB2 SER 67 46.620 -10.431 -13.320 328 HB3 SER 67 HB1 SER 67 46.876 -11.440 -14.744 329 HG SER 67 HG SER 67 48.485 -11.941 -12.527 330 H THR 68 HN THR 68 48.556 -7.751 -13.738 331 HA THR 68 HA THR 68 50.127 -7.933 -11.280 332 HB THR 68 HB THR 68 49.128 -5.401 -12.583 333 HG1 THR 68 HG1 THR 68 51.292 -7.092 -13.284 334 HG21 THR 68 HG21 THR 68 51.126 -4.436 -11.517 335 HG22 THR 68 HG22 THR 68 51.517 -6.015 -10.834 336 HG23 THR 68 HG23 THR 68 50.049 -5.175 -10.334 337 H ALA 69 HN ALA 69 46.938 -7.455 -12.445 338 HA ALA 69 HA ALA 69 44.910 -7.258 -11.476 339 HB1 ALA 69 HB1 ALA 69 46.364 -7.973 -8.933 340 HB2 ALA 69 HB2 ALA 69 45.624 -9.104 -10.064 341 HB3 ALA 69 HB3 ALA 69 44.613 -7.981 -9.156 342 H SER 70 HN SER 70 44.998 -5.018 -12.035 343 HA SER 70 HA SER 70 44.495 -3.375 -9.722 344 HB2 SER 70 HB2 SER 70 46.930 -3.061 -10.024 345 HB3 SER 70 HB1 SER 70 46.653 -2.561 -11.692 346 HG SER 70 HG SER 70 45.381 -1.240 -9.533 347 H ASP 71 HN ASP 71 42.441 -3.101 -10.399 348 HA ASP 71 HA ASP 71 42.064 -1.836 -13.022 349 HB2 ASP 71 HB2 ASP 71 40.205 -3.530 -11.357 350 HB3 ASP 71 HB1 ASP 71 39.620 -2.516 -12.671 351 H ALA 72 HN ALA 72 42.462 0.231 -12.468 352 HA ALA 72 HA ALA 72 41.171 1.403 -10.142 353 HB1 ALA 72 HB1 ALA 72 43.519 1.923 -10.572 354 HB2 ALA 72 HB2 ALA 72 42.520 3.374 -10.645 355 HB3 ALA 72 HB3 ALA 72 43.083 2.615 -12.134 356 H GLY 73 HN GLY 73 41.038 1.519 -13.646 357 HA2 GLY 73 HA2 GLY 73 38.953 3.571 -13.583 358 HA3 GLY 73 HA1 GLY 73 39.677 2.864 -15.023 359 H GLU 74 HN GLU 74 38.501 0.960 -12.365 360 HA GLU 74 HA GLU 74 36.266 0.041 -14.037 361 HB2 GLU 74 HB2 GLU 74 38.277 -1.508 -14.008 362 HB3 GLU 74 HB1 GLU 74 37.962 -1.752 -12.296 363 HG2 GLU 74 HG2 GLU 74 37.040 -3.568 -13.572 364 HG3 GLU 74 HG1 GLU 74 35.737 -2.626 -12.847 365 H THR 75 HN THR 75 34.599 0.912 -12.949 366 HA THR 75 HA THR 75 34.432 0.696 -10.065 367 HB THR 75 HB THR 75 32.274 1.960 -10.395 368 HG1 THR 75 HG1 THR 75 32.154 1.205 -12.695 369 HG21 THR 75 HG21 THR 75 34.759 3.203 -11.581 370 HG22 THR 75 HG22 THR 75 34.365 3.121 -9.865 371 HG23 THR 75 HG23 THR 75 33.364 4.082 -10.953 372 H HIS 76 HN HIS 76 33.896 -1.329 -9.402 373 HA HIS 76 HA HIS 76 31.537 -2.558 -10.671 374 HB2 HIS 76 HB2 HIS 76 34.012 -3.810 -9.554 375 HB3 HIS 76 HB1 HIS 76 32.498 -4.708 -9.498 376 HD1 HIS 76 HD1 HIS 76 33.329 -6.458 -11.223 377 HD2 HIS 76 HD2 HIS 76 33.285 -2.547 -12.644 378 HE1 HIS 76 HE1 HIS 76 33.623 -6.636 -13.710 379 HE2 HIS 76 HE2 HIS 76 33.405 -4.276 -14.571 380 H PHE 77 HN PHE 77 32.438 -0.885 -8.007 381 HA PHE 77 HA PHE 77 30.180 -2.016 -6.504 382 HB2 PHE 77 HB2 PHE 77 32.247 -1.895 -5.177 383 HB3 PHE 77 HB1 PHE 77 32.436 -0.197 -5.593 384 HD1 PHE 77 HD1 PHE 77 30.836 1.479 -4.652 385 HD2 PHE 77 HD2 PHE 77 30.872 -2.577 -3.378 386 HE1 PHE 77 HE1 PHE 77 29.603 2.112 -2.625 387 HE2 PHE 77 HE2 PHE 77 29.631 -1.949 -1.349 388 HZ PHE 77 HZ PHE 77 28.998 0.397 -0.969 389 H ARG 78 HN ARG 78 28.384 -0.744 -6.293 390 HA ARG 78 HA ARG 78 28.635 2.090 -6.865 391 HB2 ARG 78 HB2 ARG 78 26.762 2.081 -8.468 392 HB3 ARG 78 HB1 ARG 78 28.164 1.207 -9.059 393 HG2 ARG 78 HG2 ARG 78 27.031 -0.907 -8.330 394 HG3 ARG 78 HG1 ARG 78 25.589 0.061 -8.020 395 HD2 ARG 78 HD2 ARG 78 27.020 -0.153 -10.668 396 HD3 ARG 78 HD1 ARG 78 25.546 -1.014 -10.235 397 HE ARG 78 HE ARG 78 24.767 1.500 -9.853 398 HH11 ARG 78 HH11 ARG 78 26.519 0.028 -12.506 399 HH12 ARG 78 HH12 ARG 78 25.951 1.174 -13.687 400 HH21 ARG 78 HH21 ARG 78 23.996 3.000 -11.400 401 HH22 ARG 78 HH22 ARG 78 24.517 2.853 -13.057 402 H LEU 79 HN LEU 79 27.584 3.212 -5.475 403 HA LEU 79 HA LEU 79 25.304 2.002 -4.067 404 HB2 LEU 79 HB2 LEU 79 27.224 2.634 -2.642 405 HB3 LEU 79 HB1 LEU 79 27.112 4.279 -3.226 406 HG LEU 79 HG LEU 79 26.167 3.738 -0.894 407 HD11 LEU 79 HD11 LEU 79 24.443 5.193 -2.893 408 HD12 LEU 79 HD12 LEU 79 25.803 5.870 -1.999 409 HD13 LEU 79 HD13 LEU 79 24.353 5.353 -1.139 410 HD21 LEU 79 HD21 LEU 79 23.897 2.698 -2.588 411 HD22 LEU 79 HD22 LEU 79 23.848 2.983 -0.849 412 HD23 LEU 79 HD23 LEU 79 24.913 1.741 -1.507 413 H GLU 80 HN GLU 80 23.406 2.704 -4.736 414 HA GLU 80 HA GLU 80 23.202 5.457 -5.737 415 HB2 GLU 80 HB2 GLU 80 21.940 3.003 -6.976 416 HB3 GLU 80 HB1 GLU 80 21.653 4.661 -7.491 417 HG2 GLU 80 HG2 GLU 80 23.955 4.906 -8.147 418 HG3 GLU 80 HG1 GLU 80 24.340 3.308 -7.514 419 H VAL 81 HN VAL 81 21.832 6.568 -4.575 420 HA VAL 81 HA VAL 81 19.544 5.156 -3.376 421 HB VAL 81 HB VAL 81 19.533 7.042 -1.668 422 HG11 VAL 81 HG11 VAL 81 21.856 5.116 -1.720 423 HG12 VAL 81 HG12 VAL 81 20.239 4.795 -1.097 424 HG13 VAL 81 HG13 VAL 81 21.276 5.969 -0.288 425 HG21 VAL 81 HG21 VAL 81 21.706 8.141 -1.259 426 HG22 VAL 81 HG22 VAL 81 20.991 8.615 -2.800 427 HG23 VAL 81 HG23 VAL 81 22.315 7.451 -2.764 428 H THR 82 HN THR 82 17.675 5.697 -4.169 429 HA THR 82 HA THR 82 17.353 8.306 -5.475 430 HB THR 82 HB THR 82 15.978 5.703 -6.193 431 HG1 THR 82 HG1 THR 82 18.445 6.575 -6.794 432 HG21 THR 82 HG21 THR 82 15.264 6.898 -8.204 433 HG22 THR 82 HG22 THR 82 16.061 8.361 -7.624 434 HG23 THR 82 HG23 THR 82 14.679 7.702 -6.748 435 H SER 83 HN SER 83 16.089 9.535 -4.175 436 HA SER 83 HA SER 83 13.932 8.211 -2.688 437 HB2 SER 83 HB2 SER 83 15.007 11.022 -2.377 438 HB3 SER 83 HB1 SER 83 13.846 10.224 -1.318 439 HG SER 83 HG SER 83 15.877 8.597 -1.420 440 H ASP 84 HN ASP 84 12.219 8.027 -3.951 441 HA ASP 84 HA ASP 84 10.296 8.586 -4.996 442 HB2 ASP 84 HB2 ASP 84 11.111 11.448 -4.475 443 HB3 ASP 84 HB1 ASP 84 9.537 10.933 -5.070 444 H ALA 85 HN ALA 85 13.307 9.405 -6.136 445 HA ALA 85 HA ALA 85 14.217 9.527 -8.198 446 HB1 ALA 85 HB1 ALA 85 12.784 7.584 -8.657 447 HB2 ALA 85 HB2 ALA 85 13.041 8.589 -10.083 448 HB3 ALA 85 HB3 ALA 85 11.511 8.674 -9.211 449 H PHE 86 HN PHE 86 14.230 11.857 -7.649 450 HA PHE 86 HA PHE 86 13.646 13.430 -9.874 451 HB2 PHE 86 HB2 PHE 86 11.287 13.229 -9.112 452 HB3 PHE 86 HB1 PHE 86 11.745 13.915 -7.559 453 HD1 PHE 86 HD1 PHE 86 11.324 14.612 -11.141 454 HD2 PHE 86 HD2 PHE 86 12.029 16.259 -7.282 455 HE1 PHE 86 HE1 PHE 86 10.892 16.863 -12.028 456 HE2 PHE 86 HE2 PHE 86 11.599 18.515 -8.162 457 HZ PHE 86 HZ PHE 86 11.030 18.820 -10.540 458 H LYS 87 HN LYS 87 15.646 14.292 -9.623 459 HA LYS 87 HA LYS 87 16.808 15.086 -7.193 460 HB2 LYS 87 HB2 LYS 87 17.336 15.900 -10.043 461 HB3 LYS 87 HB1 LYS 87 18.283 16.526 -8.703 462 HG2 LYS 87 HG2 LYS 87 19.113 14.363 -8.170 463 HG3 LYS 87 HG1 LYS 87 17.974 13.591 -9.275 464 HD2 LYS 87 HD2 LYS 87 19.066 14.525 -11.175 465 HD3 LYS 87 HD1 LYS 87 20.093 15.541 -10.161 466 HE2 LYS 87 HE2 LYS 87 21.205 13.574 -9.280 467 HE3 LYS 87 HE1 LYS 87 20.126 12.525 -10.201 468 HZ1 LYS 87 HZ1 LYS 87 22.326 12.844 -11.251 469 HZ2 LYS 87 HZ2 LYS 87 21.984 14.499 -11.421 470 HZ3 LYS 87 HZ3 LYS 87 21.041 13.351 -12.239 471 H GLY 88 HN GLY 88 16.858 16.990 -6.073 472 HA2 GLY 88 HA2 GLY 88 15.736 19.400 -7.216 473 HA3 GLY 88 HA1 GLY 88 14.792 18.707 -5.907 474 H LEU 89 HN LEU 89 16.634 17.879 -4.124 475 HA LEU 89 HA LEU 89 17.885 20.414 -3.336 476 HB2 LEU 89 HB2 LEU 89 17.621 19.843 -1.111 477 HB3 LEU 89 HB1 LEU 89 16.170 19.192 -1.840 478 HG LEU 89 HG LEU 89 18.615 17.560 -1.145 479 HD11 LEU 89 HD11 LEU 89 17.280 16.693 0.705 480 HD12 LEU 89 HD12 LEU 89 15.980 17.813 0.298 481 HD13 LEU 89 HD13 LEU 89 17.535 18.432 0.856 482 HD21 LEU 89 HD21 LEU 89 17.166 15.640 -1.520 483 HD22 LEU 89 HD22 LEU 89 17.303 16.621 -2.979 484 HD23 LEU 89 HD23 LEU 89 15.848 16.715 -1.988 485 H THR 90 HN THR 90 19.951 20.269 -2.176 486 HA THR 90 HA THR 90 22.024 19.246 -3.550 487 HB THR 90 HB THR 90 22.426 20.769 -1.747 488 HG1 THR 90 HG1 THR 90 24.190 19.663 -0.717 489 HG21 THR 90 HG21 THR 90 22.267 20.128 0.611 490 HG22 THR 90 HG22 THR 90 21.634 18.549 0.143 491 HG23 THR 90 HG23 THR 90 20.700 20.008 -0.187 492 H LEU 91 HN LEU 91 22.602 17.341 -4.176 493 HA LEU 91 HA LEU 91 21.231 15.018 -3.340 494 HB2 LEU 91 HB2 LEU 91 22.513 13.844 -5.008 495 HB3 LEU 91 HB1 LEU 91 21.953 15.372 -5.651 496 HG LEU 91 HG LEU 91 24.760 14.990 -4.606 497 HD11 LEU 91 HD11 LEU 91 24.339 13.388 -6.413 498 HD12 LEU 91 HD12 LEU 91 25.457 14.656 -6.913 499 HD13 LEU 91 HD13 LEU 91 23.777 14.705 -7.444 500 HD21 LEU 91 HD21 LEU 91 25.241 16.944 -5.995 501 HD22 LEU 91 HD22 LEU 91 23.992 17.308 -4.803 502 HD23 LEU 91 HD23 LEU 91 23.549 17.020 -6.486 503 H VAL 92 HN VAL 92 24.226 16.426 -2.349 504 HA VAL 92 HA VAL 92 25.582 14.048 -1.630 505 HB VAL 92 HB VAL 92 27.113 15.446 -0.354 506 HG11 VAL 92 HG11 VAL 92 26.304 16.651 -2.996 507 HG12 VAL 92 HG12 VAL 92 27.446 15.332 -2.739 508 HG13 VAL 92 HG13 VAL 92 27.832 16.955 -2.169 509 HG21 VAL 92 HG21 VAL 92 25.179 17.697 -0.899 510 HG22 VAL 92 HG22 VAL 92 26.773 17.861 -0.159 511 HG23 VAL 92 HG23 VAL 92 25.502 16.962 0.670 512 H LYS 93 HN LYS 93 23.001 15.713 -0.138 513 HA LYS 93 HA LYS 93 23.526 15.157 2.573 514 HB2 LYS 93 HB2 LYS 93 21.803 16.765 1.620 515 HB3 LYS 93 HB1 LYS 93 20.787 15.365 1.321 516 HG2 LYS 93 HG2 LYS 93 21.849 15.828 4.068 517 HG3 LYS 93 HG1 LYS 93 20.494 16.797 3.487 518 HD2 LYS 93 HD2 LYS 93 19.195 14.799 3.075 519 HD3 LYS 93 HD1 LYS 93 20.567 13.778 3.507 520 HE2 LYS 93 HE2 LYS 93 18.983 13.904 5.347 521 HE3 LYS 93 HE1 LYS 93 20.507 14.669 5.789 522 HZ1 LYS 93 HZ1 LYS 93 18.031 16.080 4.935 523 HZ2 LYS 93 HZ2 LYS 93 19.500 16.832 5.316 524 HZ3 LYS 93 HZ3 LYS 93 18.642 15.997 6.515 525 H ARG 94 HN ARG 94 21.755 13.331 0.097 526 HA ARG 94 HA ARG 94 21.021 11.188 1.821 527 HB2 ARG 94 HB2 ARG 94 20.869 11.781 -1.052 528 HB3 ARG 94 HB1 ARG 94 21.058 10.074 -0.679 529 HG2 ARG 94 HG2 ARG 94 18.911 11.847 0.464 530 HG3 ARG 94 HG1 ARG 94 18.709 10.778 -0.926 531 HD2 ARG 94 HD2 ARG 94 19.359 8.869 0.516 532 HD3 ARG 94 HD1 ARG 94 19.403 9.966 1.894 533 HE ARG 94 HE ARG 94 16.908 9.810 0.388 534 HH11 ARG 94 HH11 ARG 94 18.752 8.852 3.196 535 HH12 ARG 94 HH12 ARG 94 17.365 8.399 4.135 536 HH21 ARG 94 HH21 ARG 94 15.057 9.179 1.593 537 HH22 ARG 94 HH22 ARG 94 15.255 8.573 3.205 538 H HIS 95 HN HIS 95 23.756 11.821 -0.266 539 HA HIS 95 HA HIS 95 24.885 9.238 -0.239 540 HB2 HIS 95 HB2 HIS 95 25.584 10.780 -1.924 541 HB3 HIS 95 HB1 HIS 95 26.063 11.976 -0.729 542 HD1 HIS 95 HD1 HIS 95 27.302 8.993 -2.572 543 HD2 HIS 95 HD2 HIS 95 28.549 11.452 0.544 544 HE1 HIS 95 HE1 HIS 95 29.742 8.498 -2.246 545 HE2 HIS 95 HE2 HIS 95 30.396 9.804 -0.196 546 H GLN 96 HN GLN 96 25.446 12.074 1.820 547 HA GLN 96 HA GLN 96 27.695 10.955 3.137 548 HB2 GLN 96 HB2 GLN 96 27.154 13.403 2.901 549 HB3 GLN 96 HB1 GLN 96 25.957 13.186 4.172 550 HG2 GLN 96 HG2 GLN 96 28.055 14.081 5.036 551 HG3 GLN 96 HG1 GLN 96 27.688 12.497 5.721 552 HE21 GLN 96 HE21 GLN 96 29.846 12.084 6.234 553 HE22 GLN 96 HE22 GLN 96 31.027 11.738 5.018 554 H LEU 97 HN LEU 97 24.270 10.862 3.790 555 HA LEU 97 HA LEU 97 24.224 10.321 6.496 556 HB2 LEU 97 HB2 LEU 97 22.439 9.247 4.319 557 HB3 LEU 97 HB1 LEU 97 22.111 9.053 6.029 558 HG LEU 97 HG LEU 97 22.278 11.684 4.560 559 HD11 LEU 97 HD11 LEU 97 19.873 11.796 4.962 560 HD12 LEU 97 HD12 LEU 97 19.914 10.187 5.684 561 HD13 LEU 97 HD13 LEU 97 20.294 10.397 3.974 562 HD21 LEU 97 HD21 LEU 97 23.032 11.861 6.881 563 HD22 LEU 97 HD22 LEU 97 21.545 11.084 7.427 564 HD23 LEU 97 HD23 LEU 97 21.480 12.664 6.644 565 H ILE 98 HN ILE 98 24.550 7.964 3.846 566 HA ILE 98 HA ILE 98 24.876 5.853 5.837 567 HB ILE 98 HB ILE 98 24.701 4.287 3.914 568 HG12 ILE 98 HG12 ILE 98 24.067 6.808 2.357 569 HG13 ILE 98 HG11 ILE 98 25.504 5.813 2.151 570 HG21 ILE 98 HG21 ILE 98 22.430 6.250 4.228 571 HG22 ILE 98 HG22 ILE 98 22.762 4.865 5.268 572 HG23 ILE 98 HG23 ILE 98 22.300 4.611 3.585 573 HD11 ILE 98 HD11 ILE 98 23.875 5.374 0.411 574 HD12 ILE 98 HD12 ILE 98 22.671 4.954 1.629 575 HD13 ILE 98 HD13 ILE 98 24.105 3.949 1.425 576 H TYR 99 HN TYR 99 26.691 7.596 3.451 577 HA TYR 99 HA TYR 99 28.781 7.359 2.571 578 HB2 TYR 99 HB2 TYR 99 30.553 7.341 4.375 579 HB3 TYR 99 HB1 TYR 99 29.333 8.597 4.496 580 HD1 TYR 99 HD1 TYR 99 28.001 8.806 6.432 581 HD2 TYR 99 HD2 TYR 99 30.421 5.348 5.923 582 HE1 TYR 99 HE1 TYR 99 27.573 8.168 8.763 583 HE2 TYR 99 HE2 TYR 99 29.993 4.698 8.254 584 HH TYR 99 HH TYR 99 27.598 6.260 10.187 585 H GLY 100 HN GLY 100 27.669 4.998 2.007 586 HA2 GLY 100 HA2 GLY 100 29.153 2.787 3.090 587 HA3 GLY 100 HA1 GLY 100 28.000 2.722 1.768 588 H LEU 101 HN LEU 101 29.938 5.092 0.799 589 HA LEU 101 HA LEU 101 31.286 3.430 -1.102 590 HB2 LEU 101 HB2 LEU 101 31.335 6.395 -0.568 591 HB3 LEU 101 HB1 LEU 101 32.349 5.649 -1.785 592 HG LEU 101 HG LEU 101 30.412 6.606 -2.839 593 HD11 LEU 101 HD11 LEU 101 30.181 3.605 -2.745 594 HD12 LEU 101 HD12 LEU 101 31.273 4.530 -3.775 595 HD13 LEU 101 HD13 LEU 101 29.528 4.659 -3.999 596 HD21 LEU 101 HD21 LEU 101 28.143 5.798 -2.351 597 HD22 LEU 101 HD22 LEU 101 28.870 6.647 -0.986 598 HD23 LEU 101 HD23 LEU 101 28.778 4.885 -0.982 599 H LEU 102 HN LEU 102 33.593 3.436 -1.483 600 HA LEU 102 HA LEU 102 35.752 3.122 -0.890 601 HB2 LEU 102 HB2 LEU 102 35.139 5.226 1.190 602 HB3 LEU 102 HB1 LEU 102 36.747 4.671 0.764 603 HG LEU 102 HG LEU 102 34.845 6.082 -1.109 604 HD11 LEU 102 HD11 LEU 102 35.663 7.538 0.670 605 HD12 LEU 102 HD12 LEU 102 36.354 7.975 -0.893 606 HD13 LEU 102 HD13 LEU 102 37.323 7.085 0.281 607 HD21 LEU 102 HD21 LEU 102 36.803 6.237 -2.579 608 HD22 LEU 102 HD22 LEU 102 36.327 4.564 -2.286 609 HD23 LEU 102 HD23 LEU 102 37.722 5.245 -1.448 610 H SER 103 HN SER 103 33.381 1.865 0.734 611 HA SER 103 HA SER 103 35.036 0.876 2.953 612 HB2 SER 103 HB2 SER 103 32.015 0.849 2.765 613 HB3 SER 103 HB1 SER 103 32.990 0.413 4.167 614 HG SER 103 HG SER 103 32.832 2.980 2.951 615 H ASP 104 HN ASP 104 32.100 -0.472 1.453 616 HA ASP 104 HA ASP 104 33.177 -3.119 1.524 617 HB2 ASP 104 HB2 ASP 104 30.666 -2.185 1.509 618 HB3 ASP 104 HB1 ASP 104 30.842 -2.494 -0.214 619 H GLU 105 HN GLU 105 33.158 -0.541 -0.720 620 HA GLU 105 HA GLU 105 33.710 -1.782 -3.144 621 HB2 GLU 105 HB2 GLU 105 33.395 0.472 -3.378 622 HB3 GLU 105 HB1 GLU 105 34.253 0.856 -1.902 623 HG2 GLU 105 HG2 GLU 105 36.375 0.260 -3.143 624 HG3 GLU 105 HG1 GLU 105 35.393 0.262 -4.605 625 H PHE 106 HN PHE 106 35.821 -0.980 -0.439 626 HA PHE 106 HA PHE 106 38.270 -1.593 -1.685 627 HB2 PHE 106 HB2 PHE 106 38.057 -0.255 0.388 628 HB3 PHE 106 HB1 PHE 106 37.566 -1.704 1.254 629 HD1 PHE 106 HD1 PHE 106 40.361 -0.233 -0.685 630 HD2 PHE 106 HD2 PHE 106 39.167 -3.109 2.217 631 HE1 PHE 106 HE1 PHE 106 42.724 -0.729 -0.208 632 HE2 PHE 106 HE2 PHE 106 41.525 -3.610 2.697 633 HZ PHE 106 HZ PHE 106 43.307 -2.417 1.485 634 H LYS 107 HN LYS 107 35.796 -3.568 -0.283 635 HA LYS 107 HA LYS 107 37.380 -5.916 0.092 636 HB2 LYS 107 HB2 LYS 107 35.182 -5.471 1.222 637 HB3 LYS 107 HB1 LYS 107 34.388 -5.729 -0.324 638 HG2 LYS 107 HG2 LYS 107 35.369 -8.023 -0.357 639 HG3 LYS 107 HG1 LYS 107 35.948 -7.736 1.284 640 HD2 LYS 107 HD2 LYS 107 33.965 -8.770 1.746 641 HD3 LYS 107 HD1 LYS 107 33.425 -7.093 1.692 642 HE2 LYS 107 HE2 LYS 107 33.286 -9.028 -0.616 643 HE3 LYS 107 HE1 LYS 107 31.944 -8.651 0.459 644 HZ1 LYS 107 HZ1 LYS 107 31.819 -7.400 -1.600 645 HZ2 LYS 107 HZ2 LYS 107 33.334 -6.713 -1.309 646 HZ3 LYS 107 HZ3 LYS 107 32.034 -6.351 -0.285 647 H ALA 108 HN ALA 108 35.959 -4.360 -2.607 648 HA ALA 108 HA ALA 108 35.839 -6.751 -4.240 649 HB1 ALA 108 HB1 ALA 108 35.157 -5.157 -6.039 650 HB2 ALA 108 HB2 ALA 108 35.307 -3.850 -4.864 651 HB3 ALA 108 HB3 ALA 108 34.122 -5.132 -4.613 652 H GLY 109 HN GLY 109 37.820 -3.831 -3.964 653 HA2 GLY 109 HA2 GLY 109 40.189 -3.917 -4.305 654 HA3 GLY 109 HA1 GLY 109 39.949 -5.254 -5.418 655 H LEU 110 HN LEU 110 37.578 -3.328 -6.275 656 HA LEU 110 HA LEU 110 39.227 -1.711 -8.077 657 HB2 LEU 110 HB2 LEU 110 37.150 -1.715 -9.581 658 HB3 LEU 110 HB1 LEU 110 38.158 -3.140 -9.548 659 HG LEU 110 HG LEU 110 35.663 -3.513 -9.631 660 HD11 LEU 110 HD11 LEU 110 37.236 -4.759 -7.392 661 HD12 LEU 110 HD12 LEU 110 37.140 -5.314 -9.064 662 HD13 LEU 110 HD13 LEU 110 35.714 -5.384 -8.027 663 HD21 LEU 110 HD21 LEU 110 34.926 -1.833 -8.067 664 HD22 LEU 110 HD22 LEU 110 35.827 -2.610 -6.765 665 HD23 LEU 110 HD23 LEU 110 34.449 -3.433 -7.495 666 H HIS 111 HN HIS 111 37.174 -0.035 -9.060 667 HA HIS 111 HA HIS 111 36.836 1.548 -6.631 668 HB2 HIS 111 HB2 HIS 111 37.289 2.344 -9.466 669 HB3 HIS 111 HB1 HIS 111 36.540 3.475 -8.339 670 HD1 HIS 111 HD1 HIS 111 39.574 3.409 -9.678 671 HD2 HIS 111 HD2 HIS 111 38.433 2.788 -5.729 672 HE1 HIS 111 HE1 HIS 111 41.617 3.902 -8.295 673 HE2 HIS 111 HE2 HIS 111 40.954 3.311 -5.933 674 H ALA 112 HN ALA 112 35.027 3.359 -7.097 675 HA ALA 112 HA ALA 112 32.570 1.856 -7.670 676 HB1 ALA 112 HB1 ALA 112 31.617 2.538 -5.539 677 HB2 ALA 112 HB2 ALA 112 33.132 3.328 -5.104 678 HB3 ALA 112 HB3 ALA 112 33.075 1.576 -5.300 679 H LEU 113 HN LEU 113 30.660 3.165 -7.790 680 HA LEU 113 HA LEU 113 31.125 6.050 -8.069 681 HB2 LEU 113 HB2 LEU 113 29.563 6.130 -9.956 682 HB3 LEU 113 HB1 LEU 113 30.968 5.151 -10.321 683 HG LEU 113 HG LEU 113 29.344 3.183 -9.565 684 HD11 LEU 113 HD11 LEU 113 27.057 3.583 -10.278 685 HD12 LEU 113 HD12 LEU 113 27.440 5.269 -10.623 686 HD13 LEU 113 HD13 LEU 113 27.493 4.675 -8.963 687 HD21 LEU 113 HD21 LEU 113 30.456 3.361 -11.724 688 HD22 LEU 113 HD22 LEU 113 29.254 4.535 -12.260 689 HD23 LEU 113 HD23 LEU 113 28.773 2.872 -11.925 690 H SER 114 HN SER 114 29.334 7.364 -7.479 691 HA SER 114 HA SER 114 27.231 5.929 -6.008 692 HB2 SER 114 HB2 SER 114 28.963 6.828 -4.459 693 HB3 SER 114 HB1 SER 114 28.620 8.447 -5.063 694 HG SER 114 HG SER 114 26.445 6.954 -4.169 695 H MET 115 HN MET 115 25.354 6.363 -6.938 696 HA MET 115 HA MET 115 24.884 9.080 -7.967 697 HB2 MET 115 HB2 MET 115 23.538 6.449 -8.594 698 HB3 MET 115 HB1 MET 115 22.876 8.000 -9.090 699 HG2 MET 115 HG2 MET 115 25.573 6.923 -9.878 700 HG3 MET 115 HG1 MET 115 24.123 6.899 -10.881 701 HE1 MET 115 HE1 MET 115 25.480 8.110 -12.840 702 HE2 MET 115 HE2 MET 115 26.919 8.129 -11.821 703 HE3 MET 115 HE3 MET 115 26.381 9.610 -12.613 704 H THR 116 HN THR 116 23.709 10.364 -6.723 705 HA THR 116 HA THR 116 21.788 9.122 -4.890 706 HB THR 116 HB THR 116 23.594 9.682 -3.482 707 HG1 THR 116 HG1 THR 116 22.174 12.039 -3.061 708 HG21 THR 116 HG21 THR 116 24.852 11.114 -4.995 709 HG22 THR 116 HG22 THR 116 24.664 11.885 -3.420 710 HG23 THR 116 HG23 THR 116 23.668 12.404 -4.781 711 H THR 117 HN THR 117 19.866 9.674 -5.567 712 HA THR 117 HA THR 117 19.363 12.498 -6.202 713 HB THR 117 HB THR 117 19.156 11.424 -8.292 714 HG1 THR 117 HG1 THR 117 17.115 11.957 -8.772 715 HG21 THR 117 HG21 THR 117 17.480 9.301 -6.962 716 HG22 THR 117 HG22 THR 117 19.144 9.110 -7.514 717 HG23 THR 117 HG23 THR 117 17.853 9.396 -8.683 718 H LYS 118 HN LYS 118 17.808 13.448 -5.044 719 HA LYS 118 HA LYS 118 15.671 11.853 -3.881 720 HB2 LYS 118 HB2 LYS 118 17.126 11.883 -2.003 721 HB3 LYS 118 HB1 LYS 118 17.564 13.567 -2.271 722 HG2 LYS 118 HG2 LYS 118 15.414 14.316 -1.573 723 HG3 LYS 118 HG1 LYS 118 14.792 12.670 -1.531 724 HD2 LYS 118 HD2 LYS 118 16.084 12.137 0.378 725 HD3 LYS 118 HD1 LYS 118 17.053 13.605 0.215 726 HE2 LYS 118 HE2 LYS 118 15.261 13.627 2.011 727 HE3 LYS 118 HE1 LYS 118 15.273 14.985 0.891 728 HZ1 LYS 118 HZ1 LYS 118 13.034 14.061 1.364 729 HZ2 LYS 118 HZ2 LYS 118 13.487 12.623 0.591 730 HZ3 LYS 118 HZ3 LYS 118 13.429 14.074 -0.280 731 H THR 119 HN THR 119 13.759 12.948 -3.640 732 HA THR 119 HA THR 119 13.294 15.311 -5.088 733 HB THR 119 HB THR 119 11.102 15.291 -3.703 734 HG1 THR 119 HG1 THR 119 11.352 12.650 -3.145 735 HG21 THR 119 HG21 THR 119 11.287 14.484 -6.015 736 HG22 THR 119 HG22 THR 119 10.191 13.481 -5.064 737 HG23 THR 119 HG23 THR 119 11.822 12.913 -5.421 738 HA PRO 120 HA PRO 120 14.449 18.473 -2.225 739 HB2 PRO 120 HB2 PRO 120 12.737 20.438 -3.028 740 HB3 PRO 120 HB1 PRO 120 14.194 19.992 -3.924 741 HG2 PRO 120 HG2 PRO 120 11.350 19.185 -4.408 742 HG3 PRO 120 HG1 PRO 120 12.592 19.673 -5.578 743 HD2 PRO 120 HD2 PRO 120 11.953 17.086 -5.160 744 HD3 PRO 120 HD1 PRO 120 13.605 17.598 -5.559 745 H ALA 121 HN ALA 121 13.580 19.782 -0.480 746 HA ALA 121 HA ALA 121 11.103 18.631 0.622 747 HB1 ALA 121 HB1 ALA 121 13.336 20.070 2.054 748 HB2 ALA 121 HB2 ALA 121 13.139 18.321 1.966 749 HB3 ALA 121 HB3 ALA 121 11.937 19.301 2.804 750 H GLU 122 HN GLU 122 11.878 21.083 -1.202 751 HA GLU 122 HA GLU 122 10.208 23.043 0.215 752 HB2 GLU 122 HB2 GLU 122 12.485 23.855 -0.062 753 HB3 GLU 122 HB1 GLU 122 12.429 23.507 -1.784 754 HG2 GLU 122 HG2 GLU 122 10.800 25.218 -2.143 755 HG3 GLU 122 HG1 GLU 122 10.628 25.480 -0.408 756 H GLN 123 HN GLN 123 8.240 22.578 -0.572 757 HA GLN 123 HA GLN 123 7.709 23.368 -3.283 758 HB2 GLN 123 HB2 GLN 123 6.349 21.271 -3.735 759 HB3 GLN 123 HB1 GLN 123 8.096 21.087 -3.799 760 HG2 GLN 123 HG2 GLN 123 8.167 19.907 -1.791 761 HG3 GLN 123 HG1 GLN 123 6.566 20.459 -1.304 762 HE21 GLN 123 HE21 GLN 123 4.753 19.502 -2.194 763 HE22 GLN 123 HE22 GLN 123 4.816 17.972 -3.006
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