NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
627686 | 6fgs | 34233 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H ALA 1 6.343 -24.312 -10.219 2 HA ALA 1 HA ALA 1 6.449 -23.606 -7.906 3 HB1 ALA 1 HB1 ALA 1 7.575 -21.443 -9.737 4 HB2 ALA 1 HB2 ALA 1 8.064 -21.784 -8.069 5 HB3 ALA 1 HB3 ALA 1 8.379 -22.977 -9.344 6 H THR 2 H THR 2 5.209 -22.744 -6.388 7 HA THR 2 HA THR 2 4.135 -20.067 -6.561 8 HB THR 2 HB THR 2 1.878 -20.943 -5.761 9 HG1 THR 2 HG1 THR 2 1.501 -22.940 -5.813 10 HG21 THR 2 HG21 THR 2 2.451 -21.540 -8.684 11 HG22 THR 2 HG22 THR 2 2.215 -19.910 -8.010 12 HG23 THR 2 HG23 THR 2 0.905 -21.102 -7.944 13 H GLN 3 H GLN 3 3.822 -19.284 -4.418 14 HA GLN 3 HA GLN 3 4.617 -18.979 -2.348 15 HB2 GLN 3 HB2 GLN 3 3.057 -21.533 -1.931 16 HB3 GLN 3 HB3 GLN 3 3.514 -20.398 -0.657 17 HG2 GLN 3 HG2 GLN 3 1.705 -19.740 -3.023 18 HG3 GLN 3 HG3 GLN 3 1.180 -20.116 -1.393 19 HE21 GLN 3 HE21 GLN 3 1.120 -17.563 -3.247 20 HE22 GLN 3 HE22 GLN 3 1.480 -16.306 -2.078 21 H SER 4 H SER 4 6.637 -20.109 -3.893 22 HA SER 4 HA SER 4 8.052 -22.176 -2.432 23 HB2 SER 4 HB2 SER 4 8.164 -21.657 -4.925 24 HB3 SER 4 HB3 SER 4 8.993 -20.154 -4.529 25 HG SER 4 HG SER 4 10.395 -21.754 -5.129 26 HA PRO 5 HA PRO 5 9.910 -19.423 0.576 27 HB2 PRO 5 HB2 PRO 5 12.499 -20.442 0.842 28 HB3 PRO 5 HB3 PRO 5 11.038 -21.129 1.603 29 HG2 PRO 5 HG2 PRO 5 12.350 -21.970 -0.987 30 HG3 PRO 5 HG3 PRO 5 11.776 -23.011 0.364 31 HD2 PRO 5 HD2 PRO 5 10.226 -22.671 -1.816 32 HD3 PRO 5 HD3 PRO 5 9.493 -22.608 -0.197 33 H GLY 6 H GLY 6 11.417 -17.730 0.812 34 HA2 GLY 6 HA2 GLY 6 13.450 -16.968 -1.056 35 HA3 GLY 6 HA3 GLY 6 11.947 -16.043 -1.298 36 H ASP 7 H ASP 7 11.067 -14.829 0.473 37 HA ASP 7 HA ASP 7 12.395 -14.781 3.068 38 HB2 ASP 7 HB2 ASP 7 13.711 -13.171 1.582 39 HB3 ASP 7 HB3 ASP 7 12.208 -12.227 1.458 40 H SER 8 H SER 8 10.960 -14.161 4.650 41 HA SER 8 HA SER 8 8.204 -14.006 4.148 42 HB2 SER 8 HB2 SER 8 9.960 -13.267 6.503 43 HB3 SER 8 HB3 SER 8 8.268 -12.819 6.514 44 HG SER 8 HG SER 8 8.301 -14.714 7.416 45 H ARG 9 H ARG 9 10.574 -11.237 4.174 46 HA ARG 9 HA ARG 9 8.640 -9.185 4.523 47 HB2 ARG 9 HB2 ARG 9 11.195 -9.206 2.851 48 HB3 ARG 9 HB3 ARG 9 10.278 -7.758 3.214 49 HG2 ARG 9 HG2 ARG 9 11.503 -9.567 5.332 50 HG3 ARG 9 HG3 ARG 9 12.301 -8.141 4.677 51 HD2 ARG 9 HD2 ARG 9 10.824 -6.662 5.702 52 HD3 ARG 9 HD3 ARG 9 9.564 -7.884 5.946 53 HE ARG 9 HE ARG 9 11.407 -8.970 7.453 54 HH11 ARG 9 HH11 ARG 9 10.269 -5.599 7.421 55 HH12 ARG 9 HH12 ARG 9 10.806 -5.285 9.039 56 HH21 ARG 9 HH21 ARG 9 12.122 -8.524 9.548 57 HH22 ARG 9 HH22 ARG 9 11.860 -6.986 10.272 58 H ARG 10 H ARG 10 9.723 -10.797 1.533 59 HA ARG 10 HA ARG 10 8.170 -9.317 -0.300 60 HB2 ARG 10 HB2 ARG 10 8.699 -12.314 -0.451 61 HB3 ARG 10 HB3 ARG 10 8.330 -11.259 -1.798 62 HG2 ARG 10 HG2 ARG 10 10.858 -11.130 -0.102 63 HG3 ARG 10 HG3 ARG 10 10.725 -11.927 -1.658 64 HD2 ARG 10 HD2 ARG 10 10.471 -8.946 -1.093 65 HD3 ARG 10 HD3 ARG 10 11.835 -9.834 -1.808 66 HE ARG 10 HE ARG 10 9.397 -10.152 -3.344 67 HH11 ARG 10 HH11 ARG 10 12.186 -7.957 -2.823 68 HH12 ARG 10 HH12 ARG 10 11.987 -7.220 -4.377 69 HH21 ARG 10 HH21 ARG 10 9.391 -9.238 -5.487 70 HH22 ARG 10 HH22 ARG 10 10.068 -7.649 -5.646 71 H LEU 11 H LEU 11 7.246 -12.196 1.632 72 HA LEU 11 HA LEU 11 4.621 -12.508 0.570 73 HB2 LEU 11 HB2 LEU 11 6.064 -13.471 3.061 74 HB3 LEU 11 HB3 LEU 11 4.341 -13.742 2.849 75 HG LEU 11 HG LEU 11 4.660 -14.965 0.819 76 HD11 LEU 11 HD11 LEU 11 6.562 -13.884 -0.257 77 HD12 LEU 11 HD12 LEU 11 6.917 -15.574 -0.038 78 HD13 LEU 11 HD13 LEU 11 7.638 -14.392 1.076 79 HD21 LEU 11 HD21 LEU 11 4.927 -16.094 3.049 80 HD22 LEU 11 HD22 LEU 11 6.692 -15.882 2.898 81 HD23 LEU 11 HD23 LEU 11 5.811 -16.902 1.756 82 H SER 12 H SER 12 5.834 -10.858 3.556 83 HA SER 12 HA SER 12 3.332 -10.070 4.563 84 HB2 SER 12 HB2 SER 12 6.013 -8.637 4.646 85 HB3 SER 12 HB3 SER 12 4.673 -8.425 5.782 86 HG SER 12 HG SER 12 6.380 -9.770 6.500 87 H ILE 13 H ILE 13 5.563 -8.376 2.322 88 HA ILE 13 HA ILE 13 3.960 -6.114 1.848 89 HB ILE 13 HB ILE 13 6.010 -7.529 0.070 90 HG12 ILE 13 HG12 ILE 13 6.396 -4.944 1.574 91 HG13 ILE 13 HG13 ILE 13 6.729 -6.489 2.346 92 HG21 ILE 13 HG21 ILE 13 4.767 -6.216 -1.400 93 HG22 ILE 13 HG22 ILE 13 4.611 -4.853 -0.246 94 HG23 ILE 13 HG23 ILE 13 6.147 -5.206 -1.053 95 HD11 ILE 13 HD11 ILE 13 8.362 -7.044 0.553 96 HD12 ILE 13 HD12 ILE 13 8.089 -5.456 -0.186 97 HD13 ILE 13 HD13 ILE 13 8.793 -5.560 1.428 98 H GLN 14 H GLN 14 4.117 -9.251 0.023 99 HA GLN 14 HA GLN 14 2.162 -8.723 -1.912 100 HB2 GLN 14 HB2 GLN 14 3.043 -11.307 -0.561 101 HB3 GLN 14 HB3 GLN 14 1.753 -11.286 -1.753 102 HG2 GLN 14 HG2 GLN 14 3.169 -10.350 -3.413 103 HG3 GLN 14 HG3 GLN 14 4.500 -10.163 -2.298 104 HE21 GLN 14 HE21 GLN 14 6.098 -11.666 -2.709 105 HE22 GLN 14 HE22 GLN 14 5.786 -13.371 -3.032 106 H ARG 15 H ARG 15 1.607 -10.336 1.268 107 HA ARG 15 HA ARG 15 -1.177 -10.675 1.045 108 HB2 ARG 15 HB2 ARG 15 0.549 -10.015 3.469 109 HB3 ARG 15 HB3 ARG 15 -1.157 -10.464 3.576 110 HG2 ARG 15 HG2 ARG 15 -0.609 -12.666 2.509 111 HG3 ARG 15 HG3 ARG 15 1.105 -12.257 2.603 112 HD2 ARG 15 HD2 ARG 15 -0.858 -12.453 4.925 113 HD3 ARG 15 HD3 ARG 15 0.394 -13.622 4.562 114 HE ARG 15 HE ARG 15 0.694 -10.901 5.691 115 HH11 ARG 15 HH11 ARG 15 2.416 -13.884 4.712 116 HH12 ARG 15 HH12 ARG 15 3.794 -13.513 5.719 117 HH21 ARG 15 HH21 ARG 15 2.514 -10.495 7.036 118 HH22 ARG 15 HH22 ARG 15 3.746 -11.688 7.174 119 H ALA 16 H ALA 16 0.636 -7.848 2.355 120 HA ALA 16 HA ALA 16 -1.690 -6.365 3.056 121 HB1 ALA 16 HB1 ALA 16 0.623 -5.935 3.890 122 HB2 ALA 16 HB2 ALA 16 1.050 -5.282 2.295 123 HB3 ALA 16 HB3 ALA 16 -0.189 -4.487 3.283 124 H ILE 17 H ILE 17 0.382 -6.155 0.074 125 HA ILE 17 HA ILE 17 -1.164 -4.181 -1.217 126 HB ILE 17 HB ILE 17 0.382 -6.473 -2.492 127 HG12 ILE 17 HG12 ILE 17 1.438 -3.636 -2.279 128 HG13 ILE 17 HG13 ILE 17 1.627 -4.716 -0.912 129 HG21 ILE 17 HG21 ILE 17 -1.108 -5.385 -4.135 130 HG22 ILE 17 HG22 ILE 17 -0.495 -3.783 -3.661 131 HG23 ILE 17 HG23 ILE 17 0.563 -4.949 -4.482 132 HD11 ILE 17 HD11 ILE 17 2.500 -5.481 -3.728 133 HD12 ILE 17 HD12 ILE 17 3.557 -4.780 -2.494 134 HD13 ILE 17 HD13 ILE 17 2.782 -6.376 -2.246 135 H GLN 18 H GLN 18 -1.427 -7.763 -1.542 136 HA GLN 18 HA GLN 18 -3.539 -7.892 -3.393 137 HB2 GLN 18 HB2 GLN 18 -2.662 -9.727 -1.144 138 HB3 GLN 18 HB3 GLN 18 -3.958 -10.156 -2.266 139 HG2 GLN 18 HG2 GLN 18 -2.443 -10.028 -4.169 140 HG3 GLN 18 HG3 GLN 18 -1.124 -9.466 -3.157 141 HE21 GLN 18 HE21 GLN 18 -2.637 -12.262 -4.473 142 HE22 GLN 18 HE22 GLN 18 -1.787 -13.454 -3.548 143 H SER 19 H SER 19 -3.679 -7.774 0.186 144 HA SER 19 HA SER 19 -6.534 -7.823 0.317 145 HB2 SER 19 HB2 SER 19 -4.570 -6.571 2.281 146 HB3 SER 19 HB3 SER 19 -6.244 -7.047 2.608 147 HG SER 19 HG SER 19 -4.031 -8.723 1.959 148 H LEU 20 H LEU 20 -4.235 -5.119 -0.075 149 HA LEU 20 HA LEU 20 -6.202 -3.100 0.428 150 HB2 LEU 20 HB2 LEU 20 -3.430 -3.169 0.214 151 HB3 LEU 20 HB3 LEU 20 -3.875 -2.284 -1.225 152 HG LEU 20 HG LEU 20 -4.919 -1.657 1.562 153 HD11 LEU 20 HD11 LEU 20 -3.251 0.115 1.667 154 HD12 LEU 20 HD12 LEU 20 -2.613 -0.360 0.068 155 HD13 LEU 20 HD13 LEU 20 -2.475 -1.451 1.463 156 HD21 LEU 20 HD21 LEU 20 -5.537 0.515 0.628 157 HD22 LEU 20 HD22 LEU 20 -6.386 -0.794 -0.181 158 HD23 LEU 20 HD23 LEU 20 -4.997 -0.027 -0.982 159 H VAL 21 H VAL 21 -4.734 -4.288 -2.660 160 HA VAL 21 HA VAL 21 -6.321 -2.585 -4.304 161 HB VAL 21 HB VAL 21 -4.383 -3.738 -5.226 162 HG11 VAL 21 HG11 VAL 21 -5.895 -6.380 -5.009 163 HG12 VAL 21 HG12 VAL 21 -4.308 -6.115 -5.770 164 HG13 VAL 21 HG13 VAL 21 -4.506 -5.910 -4.037 165 HG21 VAL 21 HG21 VAL 21 -6.908 -4.742 -6.626 166 HG22 VAL 21 HG22 VAL 21 -6.189 -3.140 -6.840 167 HG23 VAL 21 HG23 VAL 21 -5.312 -4.595 -7.349 168 H HIS 22 H HIS 22 -7.038 -5.733 -2.829 169 HA HIS 22 HA HIS 22 -9.517 -6.076 -4.236 170 HB2 HIS 22 HB2 HIS 22 -8.278 -7.924 -3.349 171 HB3 HIS 22 HB3 HIS 22 -8.319 -7.236 -1.714 172 HD1 HIS 22 HD1 HIS 22 -10.914 -8.564 -4.313 173 HD2 HIS 22 HD2 HIS 22 -10.266 -7.858 -0.187 174 HE1 HIS 22 HE1 HIS 22 -13.052 -9.204 -3.102 175 H ALA 23 H ALA 23 -8.810 -5.006 -0.804 176 HA ALA 23 HA ALA 23 -11.463 -4.543 -0.094 177 HB1 ALA 23 HB1 ALA 23 -10.504 -3.101 1.682 178 HB2 ALA 23 HB2 ALA 23 -9.631 -4.628 1.501 179 HB3 ALA 23 HB3 ALA 23 -8.955 -3.121 0.830 180 H ALA 24 H ALA 24 -9.273 -2.435 -1.960 181 HA ALA 24 HA ALA 24 -10.783 -0.070 -1.564 182 HB1 ALA 24 HB1 ALA 24 -9.500 0.669 -3.666 183 HB2 ALA 24 HB2 ALA 24 -8.448 -0.056 -2.421 184 HB3 ALA 24 HB3 ALA 24 -8.953 -1.009 -3.831 185 H GLN 25 H GLN 25 -11.513 -2.794 -3.506 186 HA GLN 25 HA GLN 25 -13.744 -1.333 -4.822 187 HB2 GLN 25 HB2 GLN 25 -13.414 -2.819 -6.752 188 HB3 GLN 25 HB3 GLN 25 -12.050 -1.739 -6.451 189 HG2 GLN 25 HG2 GLN 25 -10.854 -3.572 -5.283 190 HG3 GLN 25 HG3 GLN 25 -12.165 -4.666 -5.592 191 HE21 GLN 25 HE21 GLN 25 -9.165 -3.777 -6.539 192 HE22 GLN 25 HE22 GLN 25 -9.154 -4.174 -8.254 193 H CYS 26 H CYS 26 -12.910 -3.770 -2.641 194 HA CYS 26 HA CYS 26 -14.828 -5.715 -3.353 195 HB2 CYS 26 HB2 CYS 26 -12.970 -6.174 -1.854 196 HB3 CYS 26 HB3 CYS 26 -13.757 -5.230 -0.579 197 H ARG 27 H ARG 27 -16.796 -5.502 -3.612 198 HA ARG 27 HA ARG 27 -18.589 -3.896 -1.839 199 HB2 ARG 27 HB2 ARG 27 -20.019 -3.647 -3.838 200 HB3 ARG 27 HB3 ARG 27 -18.439 -2.914 -4.082 201 HG2 ARG 27 HG2 ARG 27 -17.708 -4.784 -5.466 202 HG3 ARG 27 HG3 ARG 27 -19.213 -5.654 -5.123 203 HD2 ARG 27 HD2 ARG 27 -20.421 -3.615 -6.138 204 HD3 ARG 27 HD3 ARG 27 -18.839 -3.132 -6.767 205 HE ARG 27 HE ARG 27 -19.089 -5.797 -7.458 206 HH11 ARG 27 HH11 ARG 27 -20.758 -2.766 -8.401 207 HH12 ARG 27 HH12 ARG 27 -21.629 -3.527 -9.673 208 HH21 ARG 27 HH21 ARG 27 -20.232 -6.715 -9.232 209 HH22 ARG 27 HH22 ARG 27 -21.342 -5.786 -10.172 210 H ASN 28 H ASN 28 -17.651 -6.946 -1.987 211 HA ASN 28 HA ASN 28 -20.316 -8.225 -2.378 212 HB2 ASN 28 HB2 ASN 28 -17.476 -9.315 -2.122 213 HB3 ASN 28 HB3 ASN 28 -18.921 -10.314 -2.181 214 HD21 ASN 28 HD21 ASN 28 -18.219 -11.384 -4.089 215 HD22 ASN 28 HD22 ASN 28 -18.275 -10.554 -5.633 216 H ALA 29 H ALA 29 -21.561 -8.618 -0.524 217 HA ALA 29 HA ALA 29 -20.527 -8.346 2.103 218 HB1 ALA 29 HB1 ALA 29 -22.970 -9.885 1.099 219 HB2 ALA 29 HB2 ALA 29 -22.643 -9.520 2.796 220 HB3 ALA 29 HB3 ALA 29 -22.944 -8.195 1.676 221 H ASN 30 H ASN 30 -20.481 -11.009 -0.113 222 HA ASN 30 HA ASN 30 -20.274 -13.229 1.653 223 HB2 ASN 30 HB2 ASN 30 -20.741 -13.406 -0.774 224 HB3 ASN 30 HB3 ASN 30 -19.104 -12.862 -1.131 225 HD21 ASN 30 HD21 ASN 30 -21.012 -15.641 -0.743 226 HD22 ASN 30 HD22 ASN 30 -19.725 -16.756 -0.353 227 H CYS 31 H CYS 31 -17.715 -11.346 0.027 228 HA CYS 31 HA CYS 31 -15.458 -12.561 1.016 229 HB2 CYS 31 HB2 CYS 31 -15.470 -10.702 -0.646 230 HB3 CYS 31 HB3 CYS 31 -15.944 -9.570 0.632 231 H SER 32 H SER 32 -14.551 -12.824 2.996 232 HA SER 32 HA SER 32 -15.147 -10.917 5.164 233 HB2 SER 32 HB2 SER 32 -15.756 -13.906 5.344 234 HB3 SER 32 HB3 SER 32 -15.817 -12.748 6.684 235 HG SER 32 HG SER 32 -17.411 -12.724 4.306 236 H LEU 33 H LEU 33 -12.988 -10.326 5.129 237 HA LEU 33 HA LEU 33 -11.075 -12.367 6.121 238 HB2 LEU 33 HB2 LEU 33 -10.682 -10.538 3.708 239 HB3 LEU 33 HB3 LEU 33 -9.341 -11.056 4.708 240 HG LEU 33 HG LEU 33 -10.236 -13.491 4.244 241 HD11 LEU 33 HD11 LEU 33 -11.263 -11.985 1.781 242 HD12 LEU 33 HD12 LEU 33 -12.283 -12.827 2.956 243 HD13 LEU 33 HD13 LEU 33 -11.153 -13.740 1.957 244 HD21 LEU 33 HD21 LEU 33 -8.757 -13.640 2.315 245 HD22 LEU 33 HD22 LEU 33 -8.042 -12.575 3.536 246 HD23 LEU 33 HD23 LEU 33 -8.804 -11.872 2.095 247 HA PRO 34 HA PRO 34 -10.468 -9.080 9.016 248 HB2 PRO 34 HB2 PRO 34 -7.857 -9.523 9.859 249 HB3 PRO 34 HB3 PRO 34 -9.286 -10.437 10.411 250 HG2 PRO 34 HG2 PRO 34 -7.311 -11.164 8.235 251 HG3 PRO 34 HG3 PRO 34 -7.982 -12.217 9.524 252 HD2 PRO 34 HD2 PRO 34 -8.941 -12.253 6.984 253 HD3 PRO 34 HD3 PRO 34 -10.055 -12.417 8.374 254 H SER 35 H SER 35 -7.850 -9.619 6.587 255 HA SER 35 HA SER 35 -6.798 -6.982 6.769 256 HB2 SER 35 HB2 SER 35 -5.642 -7.633 4.685 257 HB3 SER 35 HB3 SER 35 -5.427 -8.757 6.024 258 HG SER 35 HG SER 35 -6.103 -9.426 3.682 259 H CYS 36 H CYS 36 -9.148 -8.546 4.532 260 HA CYS 36 HA CYS 36 -9.564 -6.352 2.837 261 HB2 CYS 36 HB2 CYS 36 -10.410 -8.632 2.413 262 HB3 CYS 36 HB3 CYS 36 -11.547 -8.459 3.763 263 H GLN 37 H GLN 37 -11.527 -7.238 5.745 264 HA GLN 37 HA GLN 37 -13.009 -4.866 5.674 265 HB2 GLN 37 HB2 GLN 37 -13.918 -5.406 7.800 266 HB3 GLN 37 HB3 GLN 37 -13.743 -6.852 6.829 267 HG2 GLN 37 HG2 GLN 37 -13.179 -7.547 8.969 268 HG3 GLN 37 HG3 GLN 37 -11.633 -7.371 8.159 269 HE21 GLN 37 HE21 GLN 37 -10.102 -6.353 9.416 270 HE22 GLN 37 HE22 GLN 37 -10.446 -5.153 10.670 271 H LYS 38 H LYS 38 -9.805 -5.314 7.286 272 HA LYS 38 HA LYS 38 -10.122 -2.737 8.641 273 HB2 LYS 38 HB2 LYS 38 -7.929 -2.906 9.432 274 HB3 LYS 38 HB3 LYS 38 -8.620 -4.519 9.521 275 HG2 LYS 38 HG2 LYS 38 -7.436 -5.019 7.344 276 HG3 LYS 38 HG3 LYS 38 -6.523 -3.523 7.568 277 HD2 LYS 38 HD2 LYS 38 -6.718 -5.789 9.595 278 HD3 LYS 38 HD3 LYS 38 -5.423 -5.674 8.391 279 HE2 LYS 38 HE2 LYS 38 -4.586 -3.640 9.303 280 HE3 LYS 38 HE3 LYS 38 -5.998 -3.423 10.354 281 HZ1 LYS 38 HZ1 LYS 38 -4.011 -4.280 11.481 282 HZ2 LYS 38 HZ2 LYS 38 -4.133 -5.693 10.638 283 HZ3 LYS 38 HZ3 LYS 38 -5.343 -5.217 11.673 284 H MET 39 H MET 39 -8.710 -3.840 5.537 285 HA MET 39 HA MET 39 -7.448 -1.400 4.949 286 HB2 MET 39 HB2 MET 39 -8.425 -3.655 3.209 287 HB3 MET 39 HB3 MET 39 -7.608 -2.223 2.557 288 HG2 MET 39 HG2 MET 39 -6.447 -4.256 4.490 289 HG3 MET 39 HG3 MET 39 -6.069 -4.055 2.797 290 HE1 MET 39 HE1 MET 39 -3.695 -3.574 2.479 291 HE2 MET 39 HE2 MET 39 -2.658 -3.002 3.809 292 HE3 MET 39 HE3 MET 39 -3.670 -4.460 4.008 293 H LYS 40 H LYS 40 -10.852 -2.453 4.665 294 HA LYS 40 HA LYS 40 -11.854 -0.525 2.938 295 HB2 LYS 40 HB2 LYS 40 -13.133 -1.310 5.602 296 HB3 LYS 40 HB3 LYS 40 -13.951 -0.507 4.287 297 HG2 LYS 40 HG2 LYS 40 -12.948 -3.345 4.290 298 HG3 LYS 40 HG3 LYS 40 -14.609 -2.780 4.417 299 HD2 LYS 40 HD2 LYS 40 -14.156 -1.678 2.065 300 HD3 LYS 40 HD3 LYS 40 -12.724 -2.731 2.076 301 HE2 LYS 40 HE2 LYS 40 -14.523 -3.809 0.862 302 HE3 LYS 40 HE3 LYS 40 -14.142 -4.723 2.330 303 HZ1 LYS 40 HZ1 LYS 40 -16.097 -3.710 3.357 304 HZ2 LYS 40 HZ2 LYS 40 -16.460 -4.534 1.989 305 HZ3 LYS 40 HZ3 LYS 40 -16.430 -2.886 1.940 306 H ARG 41 H ARG 41 -10.898 -0.170 6.312 307 HA ARG 41 HA ARG 41 -12.009 2.423 6.753 308 HB2 ARG 41 HB2 ARG 41 -9.645 1.099 8.168 309 HB3 ARG 41 HB3 ARG 41 -10.529 2.541 8.681 310 HG2 ARG 41 HG2 ARG 41 -12.604 1.298 8.887 311 HG3 ARG 41 HG3 ARG 41 -11.842 -0.193 8.300 312 HD2 ARG 41 HD2 ARG 41 -10.484 -0.392 10.274 313 HD3 ARG 41 HD3 ARG 41 -10.926 1.241 10.806 314 HE ARG 41 HE ARG 41 -13.156 0.568 11.209 315 HH11 ARG 41 HH11 ARG 41 -11.111 -2.352 10.757 316 HH12 ARG 41 HH12 ARG 41 -12.481 -3.401 10.872 317 HH21 ARG 41 HH21 ARG 41 -14.788 -0.839 11.626 318 HH22 ARG 41 HH22 ARG 41 -14.478 -2.558 11.752 319 H VAL 42 H VAL 42 -8.584 1.503 5.913 320 HA VAL 42 HA VAL 42 -7.814 4.236 5.702 321 HB VAL 42 HB VAL 42 -5.810 3.426 4.561 322 HG11 VAL 42 HG11 VAL 42 -4.875 2.179 6.423 323 HG12 VAL 42 HG12 VAL 42 -5.966 3.428 7.040 324 HG13 VAL 42 HG13 VAL 42 -6.497 1.735 6.996 325 HG21 VAL 42 HG21 VAL 42 -6.738 1.470 3.292 326 HG22 VAL 42 HG22 VAL 42 -5.314 1.073 4.231 327 HG23 VAL 42 HG23 VAL 42 -6.898 0.617 4.847 328 H VAL 43 H VAL 43 -9.056 1.893 3.198 329 HA VAL 43 HA VAL 43 -8.562 3.760 1.103 330 HB VAL 43 HB VAL 43 -10.078 2.401 -0.282 331 HG11 VAL 43 HG11 VAL 43 -8.192 0.737 1.435 332 HG12 VAL 43 HG12 VAL 43 -8.791 0.308 -0.166 333 HG13 VAL 43 HG13 VAL 43 -7.732 1.719 0.031 334 HG21 VAL 43 HG21 VAL 43 -10.696 0.941 2.214 335 HG22 VAL 43 HG22 VAL 43 -11.850 1.802 1.190 336 HG23 VAL 43 HG23 VAL 43 -11.078 0.325 0.605 337 H GLN 44 H GLN 44 -11.504 3.299 3.257 338 HA GLN 44 HA GLN 44 -12.959 5.248 1.845 339 HB2 GLN 44 HB2 GLN 44 -13.985 3.650 3.385 340 HB3 GLN 44 HB3 GLN 44 -13.180 4.411 4.765 341 HG2 GLN 44 HG2 GLN 44 -15.558 5.087 4.491 342 HG3 GLN 44 HG3 GLN 44 -14.446 6.452 4.459 343 HE21 GLN 44 HE21 GLN 44 -14.824 7.943 2.758 344 HE22 GLN 44 HE22 GLN 44 -15.739 7.514 1.310 345 H HIS 45 H HIS 45 -10.629 5.559 4.546 346 HA HIS 45 HA HIS 45 -11.101 8.317 5.042 347 HB2 HIS 45 HB2 HIS 45 -9.910 6.923 6.605 348 HB3 HIS 45 HB3 HIS 45 -8.671 6.524 5.418 349 HD1 HIS 45 HD1 HIS 45 -9.870 9.568 7.498 350 HD2 HIS 45 HD2 HIS 45 -6.621 8.176 5.173 351 HE1 HIS 45 HE1 HIS 45 -7.955 11.194 7.846 352 H THR 46 H THR 46 -8.482 6.762 3.079 353 HA THR 46 HA THR 46 -7.514 9.100 1.947 354 HB THR 46 HB THR 46 -6.402 7.616 0.321 355 HG1 THR 46 HG1 THR 46 -7.888 5.595 1.647 356 HG21 THR 46 HG21 THR 46 -4.983 6.589 1.902 357 HG22 THR 46 HG22 THR 46 -6.289 6.242 3.029 358 HG23 THR 46 HG23 THR 46 -5.694 7.893 2.843 359 H LYS 47 H LYS 47 -10.243 7.180 0.725 360 HA LYS 47 HA LYS 47 -10.445 8.521 -1.808 361 HB2 LYS 47 HB2 LYS 47 -12.465 7.109 -0.037 362 HB3 LYS 47 HB3 LYS 47 -12.906 7.724 -1.623 363 HG2 LYS 47 HG2 LYS 47 -11.562 6.208 -2.805 364 HG3 LYS 47 HG3 LYS 47 -10.482 5.939 -1.446 365 HD2 LYS 47 HD2 LYS 47 -11.608 3.982 -1.280 366 HD3 LYS 47 HD3 LYS 47 -12.646 4.962 -0.276 367 HE2 LYS 47 HE2 LYS 47 -14.026 3.635 -1.675 368 HE3 LYS 47 HE3 LYS 47 -14.199 5.302 -2.222 369 HZ1 LYS 47 HZ1 LYS 47 -13.844 3.397 -3.887 370 HZ2 LYS 47 HZ2 LYS 47 -12.235 3.548 -3.524 371 HZ3 LYS 47 HZ3 LYS 47 -13.087 4.815 -4.161 372 H GLY 48 H GLY 48 -11.010 9.665 1.347 373 HA2 GLY 48 HA2 GLY 48 -12.702 11.958 0.418 374 HA3 GLY 48 HA3 GLY 48 -12.625 11.344 2.070 375 H CYS 49 H CYS 49 -9.475 11.113 1.322 376 HA CYS 49 HA CYS 49 -8.675 13.529 2.685 377 HB2 CYS 49 HB2 CYS 49 -7.211 11.310 1.245 378 HB3 CYS 49 HB3 CYS 49 -6.366 12.614 2.065 379 H LYS 50 H LYS 50 -8.944 15.366 1.514 380 HA LYS 50 HA LYS 50 -7.578 15.576 -1.158 381 HB2 LYS 50 HB2 LYS 50 -9.857 17.288 -0.100 382 HB3 LYS 50 HB3 LYS 50 -9.045 17.458 -1.658 383 HG2 LYS 50 HG2 LYS 50 -10.761 15.129 -0.774 384 HG3 LYS 50 HG3 LYS 50 -11.158 16.384 -1.964 385 HD2 LYS 50 HD2 LYS 50 -9.250 15.573 -3.387 386 HD3 LYS 50 HD3 LYS 50 -9.054 14.212 -2.278 387 HE2 LYS 50 HE2 LYS 50 -11.572 14.883 -3.861 388 HE3 LYS 50 HE3 LYS 50 -10.403 13.616 -4.270 389 HZ1 LYS 50 HZ1 LYS 50 -12.295 12.685 -3.141 390 HZ2 LYS 50 HZ2 LYS 50 -12.109 13.683 -1.861 391 HZ3 LYS 50 HZ3 LYS 50 -10.965 12.510 -2.201 392 H ARG 51 H ARG 51 -7.601 16.647 2.132 393 HA ARG 51 HA ARG 51 -6.137 19.047 1.829 394 HB2 ARG 51 HB2 ARG 51 -5.559 18.836 4.187 395 HB3 ARG 51 HB3 ARG 51 -7.247 18.454 3.927 396 HG2 ARG 51 HG2 ARG 51 -6.763 16.032 4.114 397 HG3 ARG 51 HG3 ARG 51 -5.047 16.361 4.295 398 HD2 ARG 51 HD2 ARG 51 -7.076 17.568 6.198 399 HD3 ARG 51 HD3 ARG 51 -6.489 15.909 6.406 400 HE ARG 51 HE ARG 51 -4.203 17.508 6.089 401 HH11 ARG 51 HH11 ARG 51 -6.821 17.581 8.487 402 HH12 ARG 51 HH12 ARG 51 -5.737 17.499 9.838 403 HH21 ARG 51 HH21 ARG 51 -2.832 17.718 7.813 404 HH22 ARG 51 HH22 ARG 51 -3.409 17.730 9.455 405 H LYS 52 H LYS 52 -5.046 16.006 0.973 406 HA LYS 52 HA LYS 52 -2.479 15.660 1.796 407 HB2 LYS 52 HB2 LYS 52 -3.291 15.285 -1.085 408 HB3 LYS 52 HB3 LYS 52 -2.111 14.380 -0.137 409 HG2 LYS 52 HG2 LYS 52 -4.112 13.718 1.387 410 HG3 LYS 52 HG3 LYS 52 -5.151 14.332 0.089 411 HD2 LYS 52 HD2 LYS 52 -3.012 12.211 -0.174 412 HD3 LYS 52 HD3 LYS 52 -4.766 11.908 -0.017 413 HE2 LYS 52 HE2 LYS 52 -5.254 12.504 -2.159 414 HE3 LYS 52 HE3 LYS 52 -3.921 13.662 -2.267 415 HZ1 LYS 52 HZ1 LYS 52 -3.551 11.666 -3.618 416 HZ2 LYS 52 HZ2 LYS 52 -3.497 10.743 -2.290 417 HZ3 LYS 52 HZ3 LYS 52 -2.363 11.925 -2.530 418 H THR 53 H THR 53 -3.477 17.700 -0.886 419 HA THR 53 HA THR 53 -0.939 18.589 -1.741 420 HB THR 53 HB THR 53 -3.613 20.066 -1.796 421 HG1 THR 53 HG1 THR 53 -4.052 18.934 -3.580 422 HG21 THR 53 HG21 THR 53 -2.764 20.854 -4.040 423 HG22 THR 53 HG22 THR 53 -1.175 20.192 -3.616 424 HG23 THR 53 HG23 THR 53 -1.880 21.504 -2.652 425 H ASN 54 H ASN 54 -2.907 19.724 1.008 426 HA ASN 54 HA ASN 54 -1.226 22.123 1.394 427 HB2 ASN 54 HB2 ASN 54 -3.748 22.150 1.650 428 HB3 ASN 54 HB3 ASN 54 -3.580 21.097 3.054 429 HD21 ASN 54 HD21 ASN 54 -3.334 24.349 1.875 430 HD22 ASN 54 HD22 ASN 54 -2.738 25.086 3.350 431 H GLY 55 H GLY 55 -2.233 19.188 3.192 432 HA2 GLY 55 HA2 GLY 55 0.333 18.539 4.251 433 HA3 GLY 55 HA3 GLY 55 -0.629 19.439 5.442 434 H GLY 56 H GLY 56 -0.581 16.580 3.371 435 HA2 GLY 56 HA2 GLY 56 -3.114 15.436 4.229 436 HA3 GLY 56 HA3 GLY 56 -1.812 14.591 3.370 437 H CYS 57 H CYS 57 -3.249 13.293 5.300 438 HA CYS 57 HA CYS 57 -1.714 13.399 7.807 439 HB2 CYS 57 HB2 CYS 57 -3.369 12.020 8.699 440 HB3 CYS 57 HB3 CYS 57 -4.273 12.912 7.487 441 HA PRO 58 HA PRO 58 1.267 10.364 6.776 442 HB2 PRO 58 HB2 PRO 58 1.349 8.409 8.644 443 HB3 PRO 58 HB3 PRO 58 1.802 10.084 9.003 444 HG2 PRO 58 HG2 PRO 58 -0.851 8.728 9.548 445 HG3 PRO 58 HG3 PRO 58 0.108 9.751 10.658 446 HD2 PRO 58 HD2 PRO 58 -1.987 10.674 9.209 447 HD3 PRO 58 HD3 PRO 58 -0.583 11.725 9.565 448 H ILE 59 H ILE 59 -1.898 8.818 7.467 449 HA ILE 59 HA ILE 59 -1.431 6.320 6.204 450 HB ILE 59 HB ILE 59 -4.067 7.829 6.483 451 HG12 ILE 59 HG12 ILE 59 -2.650 5.875 8.355 452 HG13 ILE 59 HG13 ILE 59 -3.024 7.568 8.671 453 HG21 ILE 59 HG21 ILE 59 -3.594 4.844 6.120 454 HG22 ILE 59 HG22 ILE 59 -5.165 5.673 6.231 455 HG23 ILE 59 HG23 ILE 59 -4.136 5.938 4.831 456 HD11 ILE 59 HD11 ILE 59 -4.610 6.306 9.894 457 HD12 ILE 59 HD12 ILE 59 -5.495 6.964 8.497 458 HD13 ILE 59 HD13 ILE 59 -4.983 5.259 8.521 459 H CYS 60 H CYS 60 -2.518 9.515 4.929 460 HA CYS 60 HA CYS 60 -3.173 8.794 2.341 461 HB2 CYS 60 HB2 CYS 60 -1.586 11.249 3.249 462 HB3 CYS 60 HB3 CYS 60 -2.471 11.112 1.736 463 H LYS 61 H LYS 61 0.033 9.267 3.730 464 HA LYS 61 HA LYS 61 1.440 8.989 1.157 465 HB2 LYS 61 HB2 LYS 61 2.880 8.771 3.793 466 HB3 LYS 61 HB3 LYS 61 3.416 9.450 2.269 467 HG2 LYS 61 HG2 LYS 61 1.499 10.710 4.261 468 HG3 LYS 61 HG3 LYS 61 3.187 11.125 4.012 469 HD2 LYS 61 HD2 LYS 61 2.731 12.019 1.779 470 HD3 LYS 61 HD3 LYS 61 1.050 11.456 1.867 471 HE2 LYS 61 HE2 LYS 61 1.004 13.786 2.398 472 HE3 LYS 61 HE3 LYS 61 0.707 12.877 3.893 473 HZ1 LYS 61 HZ1 LYS 61 3.086 13.213 4.428 474 HZ2 LYS 61 HZ2 LYS 61 2.254 14.586 4.370 475 HZ3 LYS 61 HZ3 LYS 61 3.244 14.221 3.126 476 H GLN 62 H GLN 62 1.160 7.083 4.182 477 HA GLN 62 HA GLN 62 2.727 4.889 3.345 478 HB2 GLN 62 HB2 GLN 62 0.426 5.017 5.310 479 HB3 GLN 62 HB3 GLN 62 1.513 3.644 5.171 480 HG2 GLN 62 HG2 GLN 62 2.422 6.460 5.909 481 HG3 GLN 62 HG3 GLN 62 1.959 5.237 7.074 482 HE21 GLN 62 HE21 GLN 62 4.090 5.351 8.068 483 HE22 GLN 62 HE22 GLN 62 5.462 4.596 7.296 484 H LEU 63 H LEU 63 -0.722 5.511 2.657 485 HA LEU 63 HA LEU 63 -1.339 2.907 1.693 486 HB2 LEU 63 HB2 LEU 63 -3.111 4.535 2.081 487 HB3 LEU 63 HB3 LEU 63 -2.403 5.661 0.915 488 HG LEU 63 HG LEU 63 -2.922 4.153 -0.963 489 HD11 LEU 63 HD11 LEU 63 -4.322 2.155 -0.599 490 HD12 LEU 63 HD12 LEU 63 -4.138 2.336 1.160 491 HD13 LEU 63 HD13 LEU 63 -2.736 1.958 0.130 492 HD21 LEU 63 HD21 LEU 63 -4.676 5.737 -0.199 493 HD22 LEU 63 HD22 LEU 63 -5.364 4.447 0.814 494 HD23 LEU 63 HD23 LEU 63 -5.331 4.286 -0.953 495 H ILE 64 H ILE 64 -0.055 5.758 0.012 496 HA ILE 64 HA ILE 64 -0.048 4.761 -2.610 497 HB ILE 64 HB ILE 64 1.383 6.961 -1.136 498 HG12 ILE 64 HG12 ILE 64 -0.584 7.036 -3.474 499 HG13 ILE 64 HG13 ILE 64 -1.061 7.005 -1.765 500 HG21 ILE 64 HG21 ILE 64 2.929 6.153 -3.002 501 HG22 ILE 64 HG22 ILE 64 1.652 6.650 -4.118 502 HG23 ILE 64 HG23 ILE 64 2.448 7.839 -3.063 503 HD11 ILE 64 HD11 ILE 64 -1.146 9.263 -2.682 504 HD12 ILE 64 HD12 ILE 64 -0.027 9.121 -1.305 505 HD13 ILE 64 HD13 ILE 64 0.622 9.213 -2.932 506 H ALA 65 H ALA 65 2.294 4.212 0.035 507 HA ALA 65 HA ALA 65 4.448 3.253 -1.472 508 HB1 ALA 65 HB1 ALA 65 4.433 3.725 0.962 509 HB2 ALA 65 HB2 ALA 65 3.527 2.225 1.236 510 HB3 ALA 65 HB3 ALA 65 5.155 2.151 0.546 511 H LEU 66 H LEU 66 1.739 1.387 -0.073 512 HA LEU 66 HA LEU 66 2.644 -1.108 -1.295 513 HB2 LEU 66 HB2 LEU 66 -0.009 -0.377 0.011 514 HB3 LEU 66 HB3 LEU 66 0.409 -1.993 -0.561 515 HG LEU 66 HG LEU 66 1.875 -0.465 1.622 516 HD11 LEU 66 HD11 LEU 66 -0.078 -2.796 1.714 517 HD12 LEU 66 HD12 LEU 66 -0.337 -1.157 2.330 518 HD13 LEU 66 HD13 LEU 66 0.855 -2.196 3.110 519 HD21 LEU 66 HD21 LEU 66 2.261 -3.351 0.700 520 HD22 LEU 66 HD22 LEU 66 3.019 -2.601 2.117 521 HD23 LEU 66 HD23 LEU 66 3.438 -2.028 0.511 522 H ALA 67 H ALA 67 0.184 1.366 -2.107 523 HA ALA 67 HA ALA 67 -0.966 -0.076 -4.263 524 HB1 ALA 67 HB1 ALA 67 -2.043 1.892 -3.345 525 HB2 ALA 67 HB2 ALA 67 -0.680 2.910 -3.821 526 HB3 ALA 67 HB3 ALA 67 -1.713 2.169 -5.070 527 H ALA 68 H ALA 68 2.081 1.782 -4.125 528 HA ALA 68 HA ALA 68 2.545 1.912 -6.912 529 HB1 ALA 68 HB1 ALA 68 3.812 3.209 -5.241 530 HB2 ALA 68 HB2 ALA 68 4.604 1.704 -4.667 531 HB3 ALA 68 HB3 ALA 68 4.886 2.306 -6.320 532 H TYR 69 H TYR 69 2.774 -0.846 -4.756 533 HA TYR 69 HA TYR 69 4.581 -2.341 -6.547 534 HB2 TYR 69 HB2 TYR 69 3.032 -3.011 -4.053 535 HB3 TYR 69 HB3 TYR 69 3.618 -4.275 -5.145 536 HD1 TYR 69 HD1 TYR 69 4.954 -1.181 -3.409 537 HD2 TYR 69 HD2 TYR 69 5.654 -5.237 -4.704 538 HE1 TYR 69 HE1 TYR 69 7.279 -1.038 -2.582 539 HE2 TYR 69 HE2 TYR 69 7.967 -5.113 -3.914 540 HH TYR 69 HH TYR 69 9.670 -3.652 -3.233 541 H HIS 70 H HIS 70 1.048 -2.266 -5.712 542 HA HIS 70 HA HIS 70 0.354 -4.146 -7.745 543 HB2 HIS 70 HB2 HIS 70 -1.293 -3.828 -6.147 544 HB3 HIS 70 HB3 HIS 70 -1.133 -2.074 -6.151 545 HD1 HIS 70 HD1 HIS 70 -2.703 -4.868 -8.381 546 HD2 HIS 70 HD2 HIS 70 -2.422 -0.692 -7.912 547 HE1 HIS 70 HE1 HIS 70 -4.579 -3.885 -9.748 548 H ALA 71 H ALA 71 0.974 -0.628 -7.929 549 HA ALA 71 HA ALA 71 -0.145 -0.110 -10.429 550 HB1 ALA 71 HB1 ALA 71 2.393 1.086 -9.237 551 HB2 ALA 71 HB2 ALA 71 1.335 1.837 -10.448 552 HB3 ALA 71 HB3 ALA 71 0.722 1.554 -8.820 553 H LYS 72 H LYS 72 2.773 -1.916 -9.732 554 HA LYS 72 HA LYS 72 3.547 -1.965 -12.598 555 HB2 LYS 72 HB2 LYS 72 5.653 -3.013 -11.853 556 HB3 LYS 72 HB3 LYS 72 5.404 -1.367 -11.281 557 HG2 LYS 72 HG2 LYS 72 4.793 -2.155 -9.091 558 HG3 LYS 72 HG3 LYS 72 4.852 -3.845 -9.610 559 HD2 LYS 72 HD2 LYS 72 7.085 -3.987 -9.463 560 HD3 LYS 72 HD3 LYS 72 7.372 -2.366 -10.119 561 HE2 LYS 72 HE2 LYS 72 6.546 -3.026 -7.266 562 HE3 LYS 72 HE3 LYS 72 8.152 -2.521 -7.803 563 HZ1 LYS 72 HZ1 LYS 72 7.209 -0.385 -8.470 564 HZ2 LYS 72 HZ2 LYS 72 6.942 -0.651 -6.900 565 HZ3 LYS 72 HZ3 LYS 72 5.716 -0.824 -7.967 566 H HIS 73 H HIS 73 1.386 -3.614 -10.806 567 HA HIS 73 HA HIS 73 1.935 -6.197 -12.180 568 HB2 HIS 73 HB2 HIS 73 0.536 -5.946 -9.515 569 HB3 HIS 73 HB3 HIS 73 1.051 -7.410 -10.352 570 HD1 HIS 73 HD1 HIS 73 1.861 -6.405 -7.292 571 HD2 HIS 73 HD2 HIS 73 4.210 -6.497 -10.802 572 HE1 HIS 73 HE1 HIS 73 4.290 -6.353 -6.560 573 H CYS 74 H CYS 74 -0.063 -3.519 -12.119 574 HA CYS 74 HA CYS 74 -2.624 -4.906 -12.459 575 HB2 CYS 74 HB2 CYS 74 -2.028 -2.473 -11.431 576 HB3 CYS 74 HB3 CYS 74 -2.260 -2.007 -13.149 577 H GLN 75 H GLN 75 -3.058 -5.778 -14.398 578 HA GLN 75 HA GLN 75 -1.347 -5.221 -16.759 579 HB2 GLN 75 HB2 GLN 75 -3.696 -7.121 -16.333 580 HB3 GLN 75 HB3 GLN 75 -2.733 -7.019 -17.808 581 HG2 GLN 75 HG2 GLN 75 -1.711 -7.782 -15.042 582 HG3 GLN 75 HG3 GLN 75 -2.001 -8.883 -16.392 583 HE21 GLN 75 HE21 GLN 75 -0.506 -8.878 -18.238 584 HE22 GLN 75 HE22 GLN 75 1.032 -8.084 -18.119 585 H GLU 76 H GLU 76 -4.521 -4.598 -15.490 586 HA GLU 76 HA GLU 76 -5.651 -3.482 -17.921 587 HB2 GLU 76 HB2 GLU 76 -7.143 -4.314 -16.207 588 HB3 GLU 76 HB3 GLU 76 -6.396 -3.302 -14.968 589 HG2 GLU 76 HG2 GLU 76 -8.581 -2.430 -15.691 590 HG3 GLU 76 HG3 GLU 76 -7.270 -1.301 -15.971 591 H ASN 77 H ASN 77 -5.174 -1.510 -18.739 592 HA ASN 77 HA ASN 77 -3.166 0.155 -17.422 593 HB2 ASN 77 HB2 ASN 77 -4.694 0.666 -20.009 594 HB3 ASN 77 HB3 ASN 77 -3.260 1.527 -19.443 595 HD21 ASN 77 HD21 ASN 77 -1.118 0.470 -19.579 596 HD22 ASN 77 HD22 ASN 77 -0.990 -1.097 -20.354 597 H LYS 78 H LYS 78 -6.634 0.018 -17.548 598 HA LYS 78 HA LYS 78 -6.929 2.786 -16.448 599 HB2 LYS 78 HB2 LYS 78 -8.935 0.878 -17.712 600 HB3 LYS 78 HB3 LYS 78 -9.347 2.390 -16.891 601 HG2 LYS 78 HG2 LYS 78 -7.861 3.628 -18.504 602 HG3 LYS 78 HG3 LYS 78 -7.575 2.123 -19.360 603 HD2 LYS 78 HD2 LYS 78 -9.330 3.298 -20.528 604 HD3 LYS 78 HD3 LYS 78 -10.041 1.891 -19.747 605 HE2 LYS 78 HE2 LYS 78 -11.533 3.770 -19.403 606 HE3 LYS 78 HE3 LYS 78 -10.792 3.381 -17.853 607 HZ1 LYS 78 HZ1 LYS 78 -10.244 5.653 -19.631 608 HZ2 LYS 78 HZ2 LYS 78 -9.132 5.224 -18.492 609 HZ3 LYS 78 HZ3 LYS 78 -10.654 5.701 -18.079 610 H CYS 79 H CYS 79 -5.833 1.743 -14.524 611 HA CYS 79 HA CYS 79 -6.811 -0.276 -13.007 612 HB2 CYS 79 HB2 CYS 79 -5.559 2.328 -12.058 613 HB3 CYS 79 HB3 CYS 79 -5.756 0.882 -11.065 614 HA PRO 80 HA PRO 80 -10.790 1.355 -11.609 615 HB2 PRO 80 HB2 PRO 80 -11.344 -0.626 -9.737 616 HB3 PRO 80 HB3 PRO 80 -11.667 -0.755 -11.501 617 HG2 PRO 80 HG2 PRO 80 -9.333 -1.826 -9.899 618 HG3 PRO 80 HG3 PRO 80 -10.253 -2.630 -11.208 619 HD2 PRO 80 HD2 PRO 80 -7.862 -1.455 -11.687 620 HD3 PRO 80 HD3 PRO 80 -9.179 -1.348 -12.881 621 H VAL 81 H VAL 81 -8.121 0.345 -9.361 622 HA VAL 81 HA VAL 81 -9.230 1.852 -7.178 623 HB VAL 81 HB VAL 81 -6.432 0.739 -7.617 624 HG11 VAL 81 HG11 VAL 81 -6.195 0.969 -5.165 625 HG12 VAL 81 HG12 VAL 81 -6.349 2.536 -5.945 626 HG13 VAL 81 HG13 VAL 81 -7.736 1.826 -5.085 627 HG21 VAL 81 HG21 VAL 81 -8.923 -0.286 -6.153 628 HG22 VAL 81 HG22 VAL 81 -8.108 -1.058 -7.514 629 HG23 VAL 81 HG23 VAL 81 -7.323 -1.002 -5.945 630 HA PRO 82 HA PRO 82 -8.036 5.769 -8.943 631 HB2 PRO 82 HB2 PRO 82 -8.500 7.454 -6.804 632 HB3 PRO 82 HB3 PRO 82 -9.781 6.717 -7.819 633 HG2 PRO 82 HG2 PRO 82 -8.773 5.806 -5.120 634 HG3 PRO 82 HG3 PRO 82 -10.465 5.939 -5.698 635 HD2 PRO 82 HD2 PRO 82 -9.047 3.590 -5.673 636 HD3 PRO 82 HD3 PRO 82 -10.292 3.904 -6.890 637 H PHE 83 H PHE 83 -6.469 4.717 -5.896 638 HA PHE 83 HA PHE 83 -4.399 6.768 -6.072 639 HB2 PHE 83 HB2 PHE 83 -5.065 4.484 -4.248 640 HB3 PHE 83 HB3 PHE 83 -3.393 5.007 -4.339 641 HD1 PHE 83 HD1 PHE 83 -6.644 7.032 -4.392 642 HD2 PHE 83 HD2 PHE 83 -2.886 6.180 -2.448 643 HE1 PHE 83 HE1 PHE 83 -7.009 8.918 -2.842 644 HE2 PHE 83 HE2 PHE 83 -3.249 8.120 -0.917 645 HZ PHE 83 HZ PHE 83 -5.329 9.479 -1.119 646 H CYS 84 H CYS 84 -4.811 3.468 -7.290 647 HA CYS 84 HA CYS 84 -2.112 2.814 -7.794 648 HB2 CYS 84 HB2 CYS 84 -3.969 1.203 -7.902 649 HB3 CYS 84 HB3 CYS 84 -4.688 2.072 -9.285 650 H LEU 85 H LEU 85 -4.552 4.149 -10.076 651 HA LEU 85 HA LEU 85 -2.630 4.802 -12.052 652 HB2 LEU 85 HB2 LEU 85 -4.321 5.964 -13.229 653 HB3 LEU 85 HB3 LEU 85 -5.034 4.554 -12.464 654 HG LEU 85 HG LEU 85 -5.632 6.336 -10.541 655 HD11 LEU 85 HD11 LEU 85 -4.590 8.331 -11.627 656 HD12 LEU 85 HD12 LEU 85 -6.351 8.490 -11.565 657 HD13 LEU 85 HD13 LEU 85 -5.556 8.023 -13.074 658 HD21 LEU 85 HD21 LEU 85 -7.839 6.553 -11.532 659 HD22 LEU 85 HD22 LEU 85 -7.198 4.916 -11.798 660 HD23 LEU 85 HD23 LEU 85 -7.179 6.102 -13.117 661 H ASN 86 H ASN 86 -3.683 6.616 -9.186 662 HA ASN 86 HA ASN 86 -2.689 9.152 -9.992 663 HB2 ASN 86 HB2 ASN 86 -4.079 8.547 -7.867 664 HB3 ASN 86 HB3 ASN 86 -2.508 8.241 -7.110 665 HD21 ASN 86 HD21 ASN 86 -4.547 10.720 -8.766 666 HD22 ASN 86 HD22 ASN 86 -3.804 12.060 -7.977 667 H ILE 87 H ILE 87 -1.051 6.366 -8.425 668 HA ILE 87 HA ILE 87 1.516 7.596 -8.161 669 HB ILE 87 HB ILE 87 0.549 4.726 -8.406 670 HG12 ILE 87 HG12 ILE 87 1.950 5.987 -6.079 671 HG13 ILE 87 HG13 ILE 87 0.269 6.462 -6.361 672 HG21 ILE 87 HG21 ILE 87 2.785 4.584 -9.298 673 HG22 ILE 87 HG22 ILE 87 3.425 5.630 -8.004 674 HG23 ILE 87 HG23 ILE 87 2.818 4.003 -7.644 675 HD11 ILE 87 HD11 ILE 87 -0.414 4.067 -6.326 676 HD12 ILE 87 HD12 ILE 87 1.257 3.660 -5.876 677 HD13 ILE 87 HD13 ILE 87 0.265 4.672 -4.806 678 H LYS 88 H LYS 88 0.025 5.744 -10.889 679 HA LYS 88 HA LYS 88 2.308 5.778 -12.571 680 HB2 LYS 88 HB2 LYS 88 -0.578 5.922 -13.484 681 HB3 LYS 88 HB3 LYS 88 0.800 5.419 -14.449 682 HG2 LYS 88 HG2 LYS 88 -0.121 3.973 -11.929 683 HG3 LYS 88 HG3 LYS 88 -0.692 3.589 -13.528 684 HD2 LYS 88 HD2 LYS 88 2.278 3.459 -12.800 685 HD3 LYS 88 HD3 LYS 88 1.131 2.144 -12.543 686 HE2 LYS 88 HE2 LYS 88 0.515 2.540 -15.073 687 HE3 LYS 88 HE3 LYS 88 2.148 3.203 -15.156 688 HZ1 LYS 88 HZ1 LYS 88 3.037 1.142 -14.634 689 HZ2 LYS 88 HZ2 LYS 88 1.706 0.707 -15.531 690 HZ3 LYS 88 HZ3 LYS 88 1.658 0.574 -13.902 691 H GLN 89 H GLN 89 -0.334 8.182 -12.210 692 HA GLN 89 HA GLN 89 0.622 9.989 -14.185 693 HB2 GLN 89 HB2 GLN 89 -1.028 10.504 -11.656 694 HB3 GLN 89 HB3 GLN 89 -0.745 11.701 -12.903 695 HG2 GLN 89 HG2 GLN 89 -2.279 9.106 -13.247 696 HG3 GLN 89 HG3 GLN 89 -2.938 10.733 -13.152 697 HE21 GLN 89 HE21 GLN 89 -1.364 12.250 -14.954 698 HE22 GLN 89 HE22 GLN 89 -1.291 11.462 -16.493 699 H LYS 90 H LYS 90 1.860 9.375 -10.993 700 HA LYS 90 HA LYS 90 3.287 12.008 -10.924 701 HB2 LYS 90 HB2 LYS 90 2.970 9.800 -8.869 702 HB3 LYS 90 HB3 LYS 90 3.919 11.272 -8.626 703 HG2 LYS 90 HG2 LYS 90 1.949 12.680 -8.938 704 HG3 LYS 90 HG3 LYS 90 0.926 11.276 -9.227 705 HD2 LYS 90 HD2 LYS 90 2.446 11.901 -6.664 706 HD3 LYS 90 HD3 LYS 90 0.705 12.114 -6.925 707 HE2 LYS 90 HE2 LYS 90 0.522 9.638 -7.357 708 HE3 LYS 90 HE3 LYS 90 2.239 9.487 -6.919 709 HZ1 LYS 90 HZ1 LYS 90 0.976 9.058 -4.973 710 HZ2 LYS 90 HZ2 LYS 90 0.062 10.418 -5.145 711 HZ3 LYS 90 HZ3 LYS 90 1.618 10.564 -4.757 712 H GLY 91 H GLY 91 3.933 8.605 -11.586 713 HA2 GLY 91 HA2 GLY 91 5.882 7.666 -12.404 714 HA3 GLY 91 HA3 GLY 91 6.692 9.224 -12.274 715 H GLY 92 H GLY 92 6.269 9.716 -9.451 716 HA2 GLY 92 HA2 GLY 92 6.979 9.124 -7.333 717 HA3 GLY 92 HA3 GLY 92 7.160 7.444 -7.865 718 H SER 93 H SER 93 8.839 9.368 -10.047 719 HA SER 93 HA SER 93 11.401 8.445 -9.207 720 HB2 SER 93 HB2 SER 93 10.767 8.860 -11.559 721 HB3 SER 93 HB3 SER 93 10.578 10.591 -11.217 722 HG SER 93 HG SER 93 12.558 10.179 -12.158 723 H GLY 94 H GLY 94 9.735 11.663 -8.841 724 HA2 GLY 94 HA2 GLY 94 10.184 13.235 -7.174 725 HA3 GLY 94 HA3 GLY 94 11.686 12.386 -6.742 726 H GLY 95 H GLY 95 12.987 12.108 -9.125 727 HA2 GLY 95 HA2 GLY 95 14.308 13.091 -10.667 728 HA3 GLY 95 HA3 GLY 95 12.989 14.210 -10.997 729 H GLY 96 H GLY 96 14.407 14.147 -7.803 730 HA2 GLY 96 HA2 GLY 96 16.519 15.934 -7.961 731 HA3 GLY 96 HA3 GLY 96 15.086 16.963 -7.930 732 H THR 97 H THR 97 14.183 14.237 -6.116 733 HA THR 97 HA THR 97 14.306 15.641 -3.680 734 HB THR 97 HB THR 97 13.413 13.378 -2.840 735 HG1 THR 97 HG1 THR 97 14.179 11.980 -4.322 736 HG21 THR 97 HG21 THR 97 11.990 14.690 -5.205 737 HG22 THR 97 HG22 THR 97 11.920 15.215 -3.509 738 HG23 THR 97 HG23 THR 97 11.250 13.647 -3.969 739 H GLY 98 H GLY 98 16.972 14.269 -5.122 740 HA2 GLY 98 HA2 GLY 98 19.049 14.381 -3.881 741 HA3 GLY 98 HA3 GLY 98 18.255 13.670 -2.479 742 H GLY 99 H GLY 99 17.313 12.326 -5.478 743 HA2 GLY 99 HA2 GLY 99 17.494 10.295 -6.451 744 HA3 GLY 99 HA3 GLY 99 19.221 10.453 -6.131 745 H GLY 100 H GLY 100 17.274 10.351 -3.277 746 HA2 GLY 100 HA2 GLY 100 17.005 8.814 -1.632 747 HA3 GLY 100 HA3 GLY 100 16.925 7.554 -2.875 748 H SER 101 H SER 101 19.318 9.797 -1.447 749 HA SER 101 HA SER 101 21.205 7.590 -1.156 750 HB2 SER 101 HB2 SER 101 23.067 8.795 -2.157 751 HB3 SER 101 HB3 SER 101 21.794 8.451 -3.326 752 HG SER 101 HG SER 101 21.052 10.711 -2.839 753 H GLY 102 H GLY 102 22.906 8.087 0.366 754 HA2 GLY 102 HA2 GLY 102 23.908 9.485 2.054 755 HA3 GLY 102 HA3 GLY 102 22.396 10.390 2.198 756 H THR 103 H THR 103 21.641 7.088 1.867 757 HA THR 103 HA THR 103 20.675 6.895 4.568 758 HB THR 103 HB THR 103 20.134 4.550 3.906 759 HG1 THR 103 HG1 THR 103 21.456 5.220 1.486 760 HG21 THR 103 HG21 THR 103 19.425 6.526 1.697 761 HG22 THR 103 HG22 THR 103 18.594 6.409 3.265 762 HG23 THR 103 HG23 THR 103 18.550 5.049 2.133 763 H ILE 104 H ILE 104 21.244 5.043 6.005 764 HA ILE 104 HA ILE 104 24.220 4.758 6.215 765 HB ILE 104 HB ILE 104 22.003 4.480 8.293 766 HG12 ILE 104 HG12 ILE 104 24.391 6.389 8.131 767 HG13 ILE 104 HG13 ILE 104 22.773 6.814 7.579 768 HG21 ILE 104 HG21 ILE 104 25.009 4.004 8.602 769 HG22 ILE 104 HG22 ILE 104 23.817 3.990 9.920 770 HG23 ILE 104 HG23 ILE 104 23.760 2.749 8.673 771 HD11 ILE 104 HD11 ILE 104 21.873 6.511 9.845 772 HD12 ILE 104 HD12 ILE 104 23.510 6.142 10.451 773 HD13 ILE 104 HD13 ILE 104 23.148 7.739 9.776 774 H GLU 105 H GLU 105 21.246 2.836 6.931 775 HA GLU 105 HA GLU 105 22.490 0.447 5.693 776 HB2 GLU 105 HB2 GLU 105 19.950 0.451 7.348 777 HB3 GLU 105 HB3 GLU 105 21.080 -0.858 7.020 778 HG2 GLU 105 HG2 GLU 105 22.794 0.485 8.389 779 HG3 GLU 105 HG3 GLU 105 21.460 1.525 8.881 780 H GLY 106 H GLY 106 21.836 0.086 3.631 781 HA2 GLY 106 HA2 GLY 106 19.658 -0.316 2.350 782 HA3 GLY 106 HA3 GLY 106 19.329 1.396 2.643 783 H ARG 107 H ARG 107 22.498 -0.087 1.824 784 HA ARG 107 HA ARG 107 22.837 1.891 -0.280 785 HB2 ARG 107 HB2 ARG 107 24.639 0.998 1.346 786 HB3 ARG 107 HB3 ARG 107 24.717 -0.414 0.298 787 HG2 ARG 107 HG2 ARG 107 26.388 1.031 -0.539 788 HG3 ARG 107 HG3 ARG 107 25.060 1.291 -1.660 789 HD2 ARG 107 HD2 ARG 107 24.413 3.292 -0.104 790 HD3 ARG 107 HD3 ARG 107 26.001 3.066 0.619 791 HE ARG 107 HE ARG 107 27.045 3.552 -1.462 792 HH11 ARG 107 HH11 ARG 107 23.488 4.069 -1.688 793 HH12 ARG 107 HH12 ARG 107 23.646 5.152 -3.026 794 HH21 ARG 107 HH21 ARG 107 27.173 5.080 -3.168 795 HH22 ARG 107 HH22 ARG 107 25.731 5.665 -3.915 796 H GLY 108 H GLY 108 20.662 0.680 -1.121 797 HA2 GLY 108 HA2 GLY 108 19.732 -0.369 -2.994 798 HA3 GLY 108 HA3 GLY 108 21.336 -0.301 -3.747 799 H ASP 109 H ASP 109 19.972 -1.936 -0.821 800 HA ASP 109 HA ASP 109 20.683 -4.514 -1.929 801 HB2 ASP 109 HB2 ASP 109 22.139 -5.190 -0.275 802 HB3 ASP 109 HB3 ASP 109 22.625 -3.509 -0.433 803 H GLY 110 H GLY 110 19.565 -6.210 -0.896 804 HA2 GLY 110 HA2 GLY 110 17.942 -7.192 0.435 805 HA3 GLY 110 HA3 GLY 110 17.436 -5.602 1.047 806 H GLY 111 H GLY 111 17.101 -4.287 -1.517 807 HA2 GLY 111 HA2 GLY 111 15.800 -4.283 -3.469 808 HA3 GLY 111 HA3 GLY 111 15.218 -5.900 -3.124 809 H THR 112 H THR 112 14.567 -4.900 -0.205 810 HA THR 112 HA THR 112 12.063 -3.469 -0.846 811 HB THR 112 HB THR 112 11.238 -4.622 1.258 812 HG1 THR 112 HG1 THR 112 12.760 -5.543 2.302 813 HG21 THR 112 HG21 THR 112 10.504 -5.377 -0.900 814 HG22 THR 112 HG22 THR 112 10.822 -6.792 0.127 815 HG23 THR 112 HG23 THR 112 11.983 -6.328 -1.144 816 H THR 113 H THR 113 14.864 -2.378 -0.122 817 HA THR 113 HA THR 113 15.237 -1.419 2.292 818 HB THR 113 HB THR 113 15.374 0.468 -0.059 819 HG1 THR 113 HG1 THR 113 17.081 -1.776 0.363 820 HG21 THR 113 HG21 THR 113 17.550 1.090 0.887 821 HG22 THR 113 HG22 THR 113 17.332 -0.104 2.194 822 HG23 THR 113 HG23 THR 113 16.262 1.301 2.079 823 H PHE 114 H PHE 114 12.651 -0.028 0.235 824 HA PHE 114 HA PHE 114 12.019 2.215 1.735 825 HB2 PHE 114 HB2 PHE 114 10.069 2.360 0.540 826 HB3 PHE 114 HB3 PHE 114 11.074 1.452 -0.552 827 HD1 PHE 114 HD1 PHE 114 7.907 1.657 0.939 828 HD2 PHE 114 HD2 PHE 114 10.847 -1.273 -0.210 829 HE1 PHE 114 HE1 PHE 114 6.152 -0.102 0.910 830 HE2 PHE 114 HE2 PHE 114 9.109 -3.041 -0.155 831 HZ PHE 114 HZ PHE 114 6.766 -2.468 0.371 832 H GLU 115 H GLU 115 11.384 -1.128 2.568 833 HA GLU 115 HA GLU 115 9.214 -1.084 4.230 834 HB2 GLU 115 HB2 GLU 115 10.144 -3.077 5.195 835 HB3 GLU 115 HB3 GLU 115 10.526 -3.034 3.467 836 HG2 GLU 115 HG2 GLU 115 12.812 -1.992 4.303 837 HG3 GLU 115 HG3 GLU 115 12.350 -2.645 5.875 838 H HIS 116 H HIS 116 12.333 0.404 4.867 839 HA HIS 116 HA HIS 116 12.110 0.415 7.705 840 HB2 HIS 116 HB2 HIS 116 13.909 1.776 7.799 841 HB3 HIS 116 HB3 HIS 116 14.187 0.863 6.331 842 HD1 HIS 116 HD1 HIS 116 14.555 4.183 7.569 843 HD2 HIS 116 HD2 HIS 116 13.136 2.509 3.980 844 HE1 HIS 116 HE1 HIS 116 14.822 5.984 5.762 845 H LEU 117 H LEU 117 10.319 2.270 5.325 846 HA LEU 117 HA LEU 117 9.639 4.459 7.060 847 HB2 LEU 117 HB2 LEU 117 8.389 3.335 4.528 848 HB3 LEU 117 HB3 LEU 117 7.536 4.514 5.505 849 HG LEU 117 HG LEU 117 9.737 5.945 5.366 850 HD11 LEU 117 HD11 LEU 117 10.980 5.649 3.240 851 HD12 LEU 117 HD12 LEU 117 10.057 4.166 2.909 852 HD13 LEU 117 HD13 LEU 117 11.156 4.250 4.296 853 HD21 LEU 117 HD21 LEU 117 7.549 6.537 4.317 854 HD22 LEU 117 HD22 LEU 117 8.021 5.619 2.883 855 HD23 LEU 117 HD23 LEU 117 8.943 7.060 3.358 856 H TRP 118 H TRP 118 8.582 1.097 7.004 857 HA TRP 118 HA TRP 118 6.067 1.580 8.352 858 HB2 TRP 118 HB2 TRP 118 7.745 -0.955 8.344 859 HB3 TRP 118 HB3 TRP 118 6.060 -0.819 8.786 860 HD1 TRP 118 HD1 TRP 118 7.967 -2.068 6.129 861 HE1 TRP 118 HE1 TRP 118 6.857 -2.011 3.855 862 HE3 TRP 118 HE3 TRP 118 4.131 1.099 7.259 863 HZ2 TRP 118 HZ2 TRP 118 4.523 -0.723 2.642 864 HZ3 TRP 118 HZ3 TRP 118 2.446 1.698 5.555 865 HH2 TRP 118 HH2 TRP 118 2.652 0.862 3.230 866 H SER 119 H SER 119 9.380 1.678 9.354 867 HA SER 119 HA SER 119 9.023 0.966 12.087 868 HB2 SER 119 HB2 SER 119 11.151 1.188 10.586 869 HB3 SER 119 HB3 SER 119 11.107 2.901 11.023 870 HG SER 119 HG SER 119 10.974 0.875 12.990 871 H SER 120 H SER 120 8.083 3.775 10.249 872 HA SER 120 HA SER 120 7.797 5.447 12.674 873 HB2 SER 120 HB2 SER 120 7.504 6.086 9.713 874 HB3 SER 120 HB3 SER 120 7.277 7.246 11.040 875 HG SER 120 HG SER 120 9.414 6.850 11.696 876 H LEU 121 H LEU 121 6.023 3.046 11.219 877 HA LEU 121 HA LEU 121 3.436 4.285 10.990 878 HB2 LEU 121 HB2 LEU 121 4.379 2.023 10.023 879 HB3 LEU 121 HB3 LEU 121 3.963 1.365 11.609 880 HG LEU 121 HG LEU 121 1.570 2.133 11.170 881 HD11 LEU 121 HD11 LEU 121 1.982 3.866 9.450 882 HD12 LEU 121 HD12 LEU 121 0.955 2.589 8.798 883 HD13 LEU 121 HD13 LEU 121 2.673 2.650 8.363 884 HD21 LEU 121 HD21 LEU 121 2.826 0.233 9.114 885 HD22 LEU 121 HD22 LEU 121 1.116 0.288 9.598 886 HD23 LEU 121 HD23 LEU 121 2.341 -0.202 10.764 887 H GLU 122 H GLU 122 1.611 3.845 12.607 888 HA GLU 122 HA GLU 122 2.467 4.654 15.161 889 HB2 GLU 122 HB2 GLU 122 -0.166 3.288 14.433 890 HB3 GLU 122 HB3 GLU 122 0.165 4.096 15.966 891 HG2 GLU 122 HG2 GLU 122 -0.060 5.309 13.218 892 HG3 GLU 122 HG3 GLU 122 -1.094 5.619 14.607 893 HA PRO 123 HA PRO 123 3.832 0.842 16.875 894 HB2 PRO 123 HB2 PRO 123 3.519 1.334 19.570 895 HB3 PRO 123 HB3 PRO 123 4.856 1.981 18.571 896 HG2 PRO 123 HG2 PRO 123 2.284 3.367 19.364 897 HG3 PRO 123 HG3 PRO 123 3.962 4.011 19.424 898 HD2 PRO 123 HD2 PRO 123 2.318 4.573 17.354 899 HD3 PRO 123 HD3 PRO 123 4.044 4.216 17.047 900 H ASP 124 H ASP 124 0.681 2.111 17.490 901 HA ASP 124 HA ASP 124 -0.469 -0.387 18.584 902 HB2 ASP 124 HB2 ASP 124 -1.604 2.380 17.993 903 HB3 ASP 124 HB3 ASP 124 -2.545 1.036 18.634 904 H SER 125 H SER 125 -0.053 1.221 15.545 905 HA SER 125 HA SER 125 -1.268 1.285 13.560 906 HB2 SER 125 HB2 SER 125 0.163 -1.316 14.032 907 HB3 SER 125 HB3 SER 125 -0.653 -1.022 12.482 908 HG SER 125 HG SER 125 1.353 0.592 13.695 909 H THR 126 H THR 126 -3.363 1.234 15.151 910 HA THR 126 HA THR 126 -5.187 -0.845 14.973 911 HB THR 126 HB THR 126 -5.173 1.060 16.474 912 HG1 THR 126 HG1 THR 126 -7.435 0.326 15.045 913 HG21 THR 126 HG21 THR 126 -6.147 3.215 15.914 914 HG22 THR 126 HG22 THR 126 -6.344 2.737 14.222 915 HG23 THR 126 HG23 THR 126 -4.719 2.935 14.924 916 H TYR 127 H TYR 127 -4.088 0.442 12.290 917 HA TYR 127 HA TYR 127 -6.585 0.001 10.712 918 HB2 TYR 127 HB2 TYR 127 -6.000 1.938 9.274 919 HB3 TYR 127 HB3 TYR 127 -6.409 2.395 10.915 920 HD1 TYR 127 HD1 TYR 127 -3.681 2.235 8.421 921 HD2 TYR 127 HD2 TYR 127 -4.706 3.255 12.479 922 HE1 TYR 127 HE1 TYR 127 -1.457 3.203 8.709 923 HE2 TYR 127 HE2 TYR 127 -2.452 4.219 12.811 924 HH TYR 127 HH TYR 127 -0.088 4.546 10.186 925 H PHE 128 H PHE 128 -3.153 -0.631 11.045 926 HA PHE 128 HA PHE 128 -3.138 -1.942 8.392 927 HB2 PHE 128 HB2 PHE 128 -1.425 0.193 9.422 928 HB3 PHE 128 HB3 PHE 128 -0.494 -1.253 9.114 929 HD1 PHE 128 HD1 PHE 128 0.684 -0.968 7.112 930 HD2 PHE 128 HD2 PHE 128 -3.420 0.316 7.282 931 HE1 PHE 128 HE1 PHE 128 0.762 -0.391 4.713 932 HE2 PHE 128 HE2 PHE 128 -3.298 0.984 4.919 933 HZ PHE 128 HZ PHE 128 -1.223 0.626 3.602 934 H ASP 129 H ASP 129 -1.090 -3.507 8.389 935 HA ASP 129 HA ASP 129 -1.648 -5.437 10.529 936 HB2 ASP 129 HB2 ASP 129 -1.409 -6.223 8.199 937 HB3 ASP 129 HB3 ASP 129 0.278 -5.666 8.171 938 H LEU 130 H LEU 130 -0.465 -5.621 12.322 939 HA LEU 130 HA LEU 130 1.714 -3.811 12.889 940 HB2 LEU 130 HB2 LEU 130 0.460 -6.144 14.395 941 HB3 LEU 130 HB3 LEU 130 1.952 -5.393 14.937 942 HG LEU 130 HG LEU 130 0.902 -3.209 15.154 943 HD11 LEU 130 HD11 LEU 130 -1.729 -4.576 14.394 944 HD12 LEU 130 HD12 LEU 130 -0.880 -3.356 13.423 945 HD13 LEU 130 HD13 LEU 130 -1.514 -2.906 14.984 946 HD21 LEU 130 HD21 LEU 130 -0.677 -5.431 16.536 947 HD22 LEU 130 HD22 LEU 130 -0.546 -3.738 17.068 948 HD23 LEU 130 HD23 LEU 130 0.888 -4.767 17.065 Start of MODEL 2 1 H1 ALA 1 H ALA 1 17.668 -15.398 -10.326 2 HA ALA 1 HA ALA 1 15.983 -17.569 -11.406 3 HB1 ALA 1 HB1 ALA 1 18.059 -18.437 -10.505 4 HB2 ALA 1 HB2 ALA 1 17.804 -17.590 -8.961 5 HB3 ALA 1 HB3 ALA 1 16.710 -18.902 -9.466 6 H THR 2 H THR 2 13.897 -17.258 -10.995 7 HA THR 2 HA THR 2 12.951 -15.399 -9.078 8 HB THR 2 HB THR 2 12.057 -16.033 -11.334 9 HG1 THR 2 HG1 THR 2 9.999 -15.551 -10.801 10 HG21 THR 2 HG21 THR 2 12.017 -18.464 -11.179 11 HG22 THR 2 HG22 THR 2 10.365 -17.862 -11.412 12 HG23 THR 2 HG23 THR 2 10.876 -18.382 -9.828 13 H GLN 3 H GLN 3 14.069 -18.554 -8.412 14 HA GLN 3 HA GLN 3 11.995 -19.179 -6.413 15 HB2 GLN 3 HB2 GLN 3 14.710 -20.528 -6.759 16 HB3 GLN 3 HB3 GLN 3 13.367 -21.072 -5.778 17 HG2 GLN 3 HG2 GLN 3 13.589 -21.027 -8.784 18 HG3 GLN 3 HG3 GLN 3 13.377 -22.412 -7.718 19 HE21 GLN 3 HE21 GLN 3 11.122 -21.722 -6.148 20 HE22 GLN 3 HE22 GLN 3 9.782 -21.577 -7.288 21 H SER 4 H SER 4 11.900 -17.867 -4.723 22 HA SER 4 HA SER 4 14.296 -16.439 -3.765 23 HB2 SER 4 HB2 SER 4 11.300 -16.112 -3.473 24 HB3 SER 4 HB3 SER 4 12.430 -15.314 -2.374 25 HG SER 4 HG SER 4 13.118 -14.068 -3.830 26 HA PRO 5 HA PRO 5 14.584 -19.262 -0.333 27 HB2 PRO 5 HB2 PRO 5 16.048 -17.670 1.473 28 HB3 PRO 5 HB3 PRO 5 16.648 -18.616 0.125 29 HG2 PRO 5 HG2 PRO 5 16.305 -15.675 0.267 30 HG3 PRO 5 HG3 PRO 5 17.386 -16.651 -0.748 31 HD2 PRO 5 HD2 PRO 5 14.958 -15.449 -1.558 32 HD3 PRO 5 HD3 PRO 5 15.933 -16.656 -2.442 33 H GLY 6 H GLY 6 11.985 -18.405 -0.327 34 HA2 GLY 6 HA2 GLY 6 10.111 -18.176 0.972 35 HA3 GLY 6 HA3 GLY 6 11.094 -18.880 2.258 36 H ASP 7 H ASP 7 11.986 -15.759 1.000 37 HA ASP 7 HA ASP 7 12.285 -14.234 3.140 38 HB2 ASP 7 HB2 ASP 7 10.913 -13.259 0.613 39 HB3 ASP 7 HB3 ASP 7 11.770 -12.255 1.779 40 H SER 8 H SER 8 10.917 -14.410 4.881 41 HA SER 8 HA SER 8 8.142 -14.380 4.976 42 HB2 SER 8 HB2 SER 8 9.565 -14.875 6.876 43 HB3 SER 8 HB3 SER 8 10.232 -13.235 6.873 44 HG SER 8 HG SER 8 7.586 -14.051 7.480 45 H ARG 9 H ARG 9 10.325 -11.537 5.001 46 HA ARG 9 HA ARG 9 8.323 -9.544 5.148 47 HB2 ARG 9 HB2 ARG 9 11.135 -9.485 3.971 48 HB3 ARG 9 HB3 ARG 9 10.123 -8.049 4.174 49 HG2 ARG 9 HG2 ARG 9 9.985 -8.466 6.610 50 HG3 ARG 9 HG3 ARG 9 11.009 -9.905 6.440 51 HD2 ARG 9 HD2 ARG 9 12.853 -8.546 5.567 52 HD3 ARG 9 HD3 ARG 9 11.854 -7.099 5.603 53 HE ARG 9 HE ARG 9 13.048 -8.539 7.882 54 HH11 ARG 9 HH11 ARG 9 10.926 -5.815 6.922 55 HH12 ARG 9 HH12 ARG 9 11.507 -4.791 8.185 56 HH21 ARG 9 HH21 ARG 9 13.653 -7.239 9.600 57 HH22 ARG 9 HH22 ARG 9 13.066 -5.627 9.761 58 H ARG 10 H ARG 10 9.951 -10.804 2.152 59 HA ARG 10 HA ARG 10 8.473 -9.168 0.384 60 HB2 ARG 10 HB2 ARG 10 9.379 -12.021 -0.155 61 HB3 ARG 10 HB3 ARG 10 8.836 -10.905 -1.376 62 HG2 ARG 10 HG2 ARG 10 11.318 -10.383 0.329 63 HG3 ARG 10 HG3 ARG 10 11.326 -11.201 -1.236 64 HD2 ARG 10 HD2 ARG 10 10.199 -9.188 -2.242 65 HD3 ARG 10 HD3 ARG 10 10.447 -8.348 -0.696 66 HE ARG 10 HE ARG 10 12.961 -9.252 -1.325 67 HH11 ARG 10 HH11 ARG 10 10.585 -7.326 -3.106 68 HH12 ARG 10 HH12 ARG 10 11.760 -6.567 -4.138 69 HH21 ARG 10 HH21 ARG 10 14.520 -7.859 -2.376 70 HH22 ARG 10 HH22 ARG 10 14.020 -6.912 -3.732 71 H LEU 11 H LEU 11 7.609 -12.433 1.671 72 HA LEU 11 HA LEU 11 5.164 -12.649 0.238 73 HB2 LEU 11 HB2 LEU 11 6.303 -13.920 2.746 74 HB3 LEU 11 HB3 LEU 11 4.590 -14.094 2.380 75 HG LEU 11 HG LEU 11 5.136 -14.985 0.131 76 HD11 LEU 11 HD11 LEU 11 7.456 -14.144 -0.168 77 HD12 LEU 11 HD12 LEU 11 7.360 -15.902 -0.327 78 HD13 LEU 11 HD13 LEU 11 7.986 -15.197 1.174 79 HD21 LEU 11 HD21 LEU 11 5.751 -17.217 0.982 80 HD22 LEU 11 HD22 LEU 11 4.623 -16.429 2.100 81 HD23 LEU 11 HD23 LEU 11 6.342 -16.483 2.492 82 H SER 12 H SER 12 5.854 -11.278 3.517 83 HA SER 12 HA SER 12 3.123 -10.735 4.092 84 HB2 SER 12 HB2 SER 12 5.292 -10.733 5.599 85 HB3 SER 12 HB3 SER 12 5.338 -9.024 5.214 86 HG SER 12 HG SER 12 3.557 -8.700 6.378 87 H ILE 13 H ILE 13 5.647 -8.652 2.537 88 HA ILE 13 HA ILE 13 4.053 -6.361 2.182 89 HB ILE 13 HB ILE 13 6.344 -7.502 0.526 90 HG12 ILE 13 HG12 ILE 13 6.303 -5.114 2.419 91 HG13 ILE 13 HG13 ILE 13 6.736 -6.739 2.927 92 HG21 ILE 13 HG21 ILE 13 5.133 -6.081 -0.984 93 HG22 ILE 13 HG22 ILE 13 4.965 -4.801 0.244 94 HG23 ILE 13 HG23 ILE 13 6.544 -5.181 -0.476 95 HD11 ILE 13 HD11 ILE 13 8.770 -5.519 2.505 96 HD12 ILE 13 HD12 ILE 13 8.595 -6.774 1.263 97 HD13 ILE 13 HD13 ILE 13 8.244 -5.077 0.872 98 H GLN 14 H GLN 14 4.457 -9.217 0.024 99 HA GLN 14 HA GLN 14 2.686 -8.370 -2.018 100 HB2 GLN 14 HB2 GLN 14 3.519 -11.152 -1.079 101 HB3 GLN 14 HB3 GLN 14 2.458 -10.886 -2.470 102 HG2 GLN 14 HG2 GLN 14 4.123 -9.490 -3.550 103 HG3 GLN 14 HG3 GLN 14 5.237 -9.652 -2.203 104 HE21 GLN 14 HE21 GLN 14 5.731 -10.305 -4.979 105 HE22 GLN 14 HE22 GLN 14 6.144 -12.016 -5.016 106 H ARG 15 H ARG 15 1.966 -10.383 0.883 107 HA ARG 15 HA ARG 15 -0.803 -10.712 0.345 108 HB2 ARG 15 HB2 ARG 15 0.723 -10.611 2.980 109 HB3 ARG 15 HB3 ARG 15 -0.979 -11.067 2.863 110 HG2 ARG 15 HG2 ARG 15 -0.474 -13.043 1.563 111 HG3 ARG 15 HG3 ARG 15 1.190 -12.534 1.311 112 HD2 ARG 15 HD2 ARG 15 1.361 -14.150 2.988 113 HD3 ARG 15 HD3 ARG 15 1.507 -12.618 3.846 114 HE ARG 15 HE ARG 15 -1.238 -13.554 3.742 115 HH11 ARG 15 HH11 ARG 15 1.796 -14.095 5.476 116 HH12 ARG 15 HH12 ARG 15 1.065 -14.951 6.796 117 HH21 ARG 15 HH21 ARG 15 -2.207 -14.632 5.373 118 HH22 ARG 15 HH22 ARG 15 -1.366 -15.260 6.745 119 H ALA 16 H ALA 16 0.894 -8.183 2.268 120 HA ALA 16 HA ALA 16 -1.342 -6.739 3.098 121 HB1 ALA 16 HB1 ALA 16 0.952 -6.346 3.962 122 HB2 ALA 16 HB2 ALA 16 1.431 -5.634 2.399 123 HB3 ALA 16 HB3 ALA 16 0.212 -4.836 3.392 124 H ILE 17 H ILE 17 0.700 -6.125 0.202 125 HA ILE 17 HA ILE 17 -0.790 -4.005 -0.854 126 HB ILE 17 HB ILE 17 0.773 -6.177 -2.315 127 HG12 ILE 17 HG12 ILE 17 1.673 -3.319 -1.821 128 HG13 ILE 17 HG13 ILE 17 1.932 -4.553 -0.597 129 HG21 ILE 17 HG21 ILE 17 -0.754 -4.989 -3.902 130 HG22 ILE 17 HG22 ILE 17 -0.122 -3.445 -3.331 131 HG23 ILE 17 HG23 ILE 17 0.941 -4.557 -4.201 132 HD11 ILE 17 HD11 ILE 17 3.900 -4.316 -1.973 133 HD12 ILE 17 HD12 ILE 17 3.196 -5.938 -2.218 134 HD13 ILE 17 HD13 ILE 17 3.000 -4.670 -3.446 135 H GLN 18 H GLN 18 -1.224 -7.518 -1.450 136 HA GLN 18 HA GLN 18 -3.311 -7.244 -3.374 137 HB2 GLN 18 HB2 GLN 18 -2.484 -9.512 -1.528 138 HB3 GLN 18 HB3 GLN 18 -3.761 -9.664 -2.748 139 HG2 GLN 18 HG2 GLN 18 -2.225 -9.108 -4.537 140 HG3 GLN 18 HG3 GLN 18 -0.911 -8.789 -3.424 141 HE21 GLN 18 HE21 GLN 18 -1.069 -10.700 -5.635 142 HE22 GLN 18 HE22 GLN 18 -0.909 -12.304 -4.963 143 H SER 19 H SER 19 -3.406 -7.673 0.192 144 HA SER 19 HA SER 19 -6.238 -7.824 0.419 145 HB2 SER 19 HB2 SER 19 -4.651 -8.583 2.138 146 HB3 SER 19 HB3 SER 19 -4.038 -6.943 2.347 147 HG SER 19 HG SER 19 -6.784 -7.466 2.768 148 H LEU 20 H LEU 20 -3.928 -5.118 0.402 149 HA LEU 20 HA LEU 20 -5.675 -3.066 1.199 150 HB2 LEU 20 HB2 LEU 20 -3.023 -3.218 0.815 151 HB3 LEU 20 HB3 LEU 20 -3.411 -2.561 -0.764 152 HG LEU 20 HG LEU 20 -3.947 -1.391 1.978 153 HD11 LEU 20 HD11 LEU 20 -2.267 -0.308 -0.300 154 HD12 LEU 20 HD12 LEU 20 -1.648 -1.245 1.069 155 HD13 LEU 20 HD13 LEU 20 -2.401 0.326 1.360 156 HD21 LEU 20 HD21 LEU 20 -4.874 -0.347 -0.713 157 HD22 LEU 20 HD22 LEU 20 -4.855 0.593 0.796 158 HD23 LEU 20 HD23 LEU 20 -5.866 -0.810 0.690 159 H VAL 21 H VAL 21 -4.595 -3.973 -2.147 160 HA VAL 21 HA VAL 21 -6.456 -2.174 -3.309 161 HB VAL 21 HB VAL 21 -5.971 -3.137 -5.450 162 HG11 VAL 21 HG11 VAL 21 -4.490 -1.511 -4.136 163 HG12 VAL 21 HG12 VAL 21 -3.411 -2.905 -3.854 164 HG13 VAL 21 HG13 VAL 21 -3.788 -2.351 -5.496 165 HG21 VAL 21 HG21 VAL 21 -4.280 -4.950 -5.662 166 HG22 VAL 21 HG22 VAL 21 -4.460 -5.284 -3.923 167 HG23 VAL 21 HG23 VAL 21 -5.842 -5.478 -5.032 168 H HIS 22 H HIS 22 -6.756 -5.639 -2.420 169 HA HIS 22 HA HIS 22 -9.116 -6.112 -3.868 170 HB2 HIS 22 HB2 HIS 22 -8.062 -7.988 -2.915 171 HB3 HIS 22 HB3 HIS 22 -8.058 -7.286 -1.289 172 HD1 HIS 22 HD1 HIS 22 -10.976 -8.143 -3.776 173 HD2 HIS 22 HD2 HIS 22 -9.837 -8.277 0.285 174 HE1 HIS 22 HE1 HIS 22 -12.988 -8.988 -2.479 175 H ALA 23 H ALA 23 -8.716 -4.989 -0.442 176 HA ALA 23 HA ALA 23 -11.462 -4.540 0.035 177 HB1 ALA 23 HB1 ALA 23 -10.679 -3.057 1.876 178 HB2 ALA 23 HB2 ALA 23 -9.837 -4.623 1.843 179 HB3 ALA 23 HB3 ALA 23 -9.034 -3.162 1.215 180 H ALA 24 H ALA 24 -9.023 -2.437 -1.491 181 HA ALA 24 HA ALA 24 -10.402 -0.030 -1.287 182 HB1 ALA 24 HB1 ALA 24 -8.065 -0.124 -1.977 183 HB2 ALA 24 HB2 ALA 24 -8.519 -0.944 -3.486 184 HB3 ALA 24 HB3 ALA 24 -9.022 0.732 -3.204 185 H GLN 25 H GLN 25 -10.923 -2.684 -3.532 186 HA GLN 25 HA GLN 25 -13.156 -1.102 -4.751 187 HB2 GLN 25 HB2 GLN 25 -12.759 -2.268 -6.802 188 HB3 GLN 25 HB3 GLN 25 -11.302 -1.439 -6.300 189 HG2 GLN 25 HG2 GLN 25 -10.081 -3.344 -6.134 190 HG3 GLN 25 HG3 GLN 25 -11.335 -4.194 -5.261 191 HE21 GLN 25 HE21 GLN 25 -9.580 -4.804 -7.816 192 HE22 GLN 25 HE22 GLN 25 -10.774 -5.488 -8.919 193 H CYS 26 H CYS 26 -12.545 -3.609 -2.654 194 HA CYS 26 HA CYS 26 -14.263 -5.664 -3.366 195 HB2 CYS 26 HB2 CYS 26 -12.653 -5.844 -1.553 196 HB3 CYS 26 HB3 CYS 26 -13.550 -4.658 -0.600 197 H ARG 27 H ARG 27 -16.180 -5.530 -3.925 198 HA ARG 27 HA ARG 27 -18.248 -3.902 -2.525 199 HB2 ARG 27 HB2 ARG 27 -19.453 -3.708 -4.611 200 HB3 ARG 27 HB3 ARG 27 -17.835 -3.031 -4.793 201 HG2 ARG 27 HG2 ARG 27 -17.098 -5.086 -5.985 202 HG3 ARG 27 HG3 ARG 27 -18.716 -5.790 -5.771 203 HD2 ARG 27 HD2 ARG 27 -19.658 -3.803 -7.000 204 HD3 ARG 27 HD3 ARG 27 -18.022 -3.282 -7.361 205 HE ARG 27 HE ARG 27 -19.549 -5.450 -8.538 206 HH11 ARG 27 HH11 ARG 27 -16.302 -4.030 -8.259 207 HH12 ARG 27 HH12 ARG 27 -15.633 -4.913 -9.589 208 HH21 ARG 27 HH21 ARG 27 -18.691 -6.574 -10.393 209 HH22 ARG 27 HH22 ARG 27 -17.037 -6.361 -10.829 210 H ASN 28 H ASN 28 -16.991 -6.877 -2.712 211 HA ASN 28 HA ASN 28 -19.385 -8.502 -3.171 212 HB2 ASN 28 HB2 ASN 28 -16.571 -9.275 -2.281 213 HB3 ASN 28 HB3 ASN 28 -17.882 -10.381 -2.674 214 HD21 ASN 28 HD21 ASN 28 -18.821 -10.117 -5.060 215 HD22 ASN 28 HD22 ASN 28 -17.657 -9.689 -6.279 216 H ALA 29 H ALA 29 -20.814 -7.997 -1.581 217 HA ALA 29 HA ALA 29 -20.185 -7.353 1.092 218 HB1 ALA 29 HB1 ALA 29 -22.728 -8.555 -0.057 219 HB2 ALA 29 HB2 ALA 29 -22.591 -7.667 1.474 220 HB3 ALA 29 HB3 ALA 29 -22.315 -6.833 -0.072 221 H ASN 30 H ASN 30 -19.725 -10.418 -0.293 222 HA ASN 30 HA ASN 30 -20.509 -11.888 2.173 223 HB2 ASN 30 HB2 ASN 30 -20.992 -12.677 -0.246 224 HB3 ASN 30 HB3 ASN 30 -19.289 -13.151 -0.286 225 HD21 ASN 30 HD21 ASN 30 -19.841 -15.449 -0.387 226 HD22 ASN 30 HD22 ASN 30 -20.815 -16.220 0.845 227 H CYS 31 H CYS 31 -17.824 -10.307 0.933 228 HA CYS 31 HA CYS 31 -15.687 -12.033 1.741 229 HB2 CYS 31 HB2 CYS 31 -15.545 -10.076 0.125 230 HB3 CYS 31 HB3 CYS 31 -15.722 -8.991 1.494 231 H SER 32 H SER 32 -15.079 -12.542 3.774 232 HA SER 32 HA SER 32 -15.491 -10.643 6.036 233 HB2 SER 32 HB2 SER 32 -16.222 -13.605 5.916 234 HB3 SER 32 HB3 SER 32 -15.917 -12.746 7.429 235 HG SER 32 HG SER 32 -18.055 -12.871 6.972 236 H LEU 33 H LEU 33 -13.386 -10.037 5.982 237 HA LEU 33 HA LEU 33 -11.410 -11.977 7.004 238 HB2 LEU 33 HB2 LEU 33 -11.062 -9.952 4.767 239 HB3 LEU 33 HB3 LEU 33 -9.712 -10.748 5.562 240 HG LEU 33 HG LEU 33 -11.868 -12.192 3.949 241 HD11 LEU 33 HD11 LEU 33 -10.133 -12.421 2.221 242 HD12 LEU 33 HD12 LEU 33 -9.016 -11.418 3.181 243 HD13 LEU 33 HD13 LEU 33 -10.521 -10.733 2.509 244 HD21 LEU 33 HD21 LEU 33 -9.197 -13.151 5.085 245 HD22 LEU 33 HD22 LEU 33 -10.274 -14.073 4.003 246 HD23 LEU 33 HD23 LEU 33 -10.822 -13.653 5.619 247 HA PRO 34 HA PRO 34 -11.129 -8.505 9.786 248 HB2 PRO 34 HB2 PRO 34 -8.616 -8.803 10.872 249 HB3 PRO 34 HB3 PRO 34 -10.007 -9.838 11.298 250 HG2 PRO 34 HG2 PRO 34 -7.792 -10.402 9.308 251 HG3 PRO 34 HG3 PRO 34 -8.469 -11.495 10.555 252 HD2 PRO 34 HD2 PRO 34 -9.228 -11.590 7.919 253 HD3 PRO 34 HD3 PRO 34 -10.383 -11.937 9.229 254 H SER 35 H SER 35 -8.311 -9.201 7.656 255 HA SER 35 HA SER 35 -7.218 -6.687 7.437 256 HB2 SER 35 HB2 SER 35 -7.303 -8.644 5.197 257 HB3 SER 35 HB3 SER 35 -5.975 -7.610 5.683 258 HG SER 35 HG SER 35 -5.483 -8.991 7.306 259 H CYS 36 H CYS 36 -9.833 -8.207 5.434 260 HA CYS 36 HA CYS 36 -9.989 -5.946 3.684 261 HB2 CYS 36 HB2 CYS 36 -10.912 -8.403 3.356 262 HB3 CYS 36 HB3 CYS 36 -12.377 -7.750 4.108 263 H GLN 37 H GLN 37 -11.913 -6.825 6.598 264 HA GLN 37 HA GLN 37 -13.616 -4.564 6.563 265 HB2 GLN 37 HB2 GLN 37 -12.555 -6.264 8.870 266 HB3 GLN 37 HB3 GLN 37 -13.754 -4.968 9.076 267 HG2 GLN 37 HG2 GLN 37 -15.116 -6.015 7.313 268 HG3 GLN 37 HG3 GLN 37 -14.059 -7.420 7.284 269 HE21 GLN 37 HE21 GLN 37 -16.441 -8.448 7.847 270 HE22 GLN 37 HE22 GLN 37 -16.601 -8.634 9.580 271 H LYS 38 H LYS 38 -10.479 -4.920 8.075 272 HA LYS 38 HA LYS 38 -10.482 -2.199 9.152 273 HB2 LYS 38 HB2 LYS 38 -8.158 -2.398 9.710 274 HB3 LYS 38 HB3 LYS 38 -9.040 -3.843 10.200 275 HG2 LYS 38 HG2 LYS 38 -8.198 -4.913 8.083 276 HG3 LYS 38 HG3 LYS 38 -7.120 -3.544 7.848 277 HD2 LYS 38 HD2 LYS 38 -7.126 -5.299 10.346 278 HD3 LYS 38 HD3 LYS 38 -6.166 -5.657 8.898 279 HE2 LYS 38 HE2 LYS 38 -5.037 -3.443 9.100 280 HE3 LYS 38 HE3 LYS 38 -5.976 -3.097 10.558 281 HZ1 LYS 38 HZ1 LYS 38 -4.120 -5.401 10.337 282 HZ2 LYS 38 HZ2 LYS 38 -4.881 -4.825 11.694 283 HZ3 LYS 38 HZ3 LYS 38 -3.716 -3.944 10.979 284 H MET 39 H MET 39 -9.036 -3.575 6.116 285 HA MET 39 HA MET 39 -7.922 -1.121 5.235 286 HB2 MET 39 HB2 MET 39 -8.814 -3.617 3.769 287 HB3 MET 39 HB3 MET 39 -8.028 -2.246 2.972 288 HG2 MET 39 HG2 MET 39 -6.758 -3.844 5.219 289 HG3 MET 39 HG3 MET 39 -6.504 -4.106 3.494 290 HE1 MET 39 HE1 MET 39 -4.066 -3.633 2.948 291 HE2 MET 39 HE2 MET 39 -3.088 -2.705 4.117 292 HE3 MET 39 HE3 MET 39 -4.089 -4.092 4.640 293 H LYS 40 H LYS 40 -11.196 -2.497 4.898 294 HA LYS 40 HA LYS 40 -12.245 -0.918 2.918 295 HB2 LYS 40 HB2 LYS 40 -13.333 -2.480 5.172 296 HB3 LYS 40 HB3 LYS 40 -14.256 -1.025 4.941 297 HG2 LYS 40 HG2 LYS 40 -15.437 -2.424 3.637 298 HG3 LYS 40 HG3 LYS 40 -14.350 -1.741 2.423 299 HD2 LYS 40 HD2 LYS 40 -12.924 -3.783 2.633 300 HD3 LYS 40 HD3 LYS 40 -14.079 -4.459 3.788 301 HE2 LYS 40 HE2 LYS 40 -14.675 -3.686 0.898 302 HE3 LYS 40 HE3 LYS 40 -14.324 -5.326 1.454 303 HZ1 LYS 40 HZ1 LYS 40 -16.391 -5.371 2.627 304 HZ2 LYS 40 HZ2 LYS 40 -16.681 -4.884 1.127 305 HZ3 LYS 40 HZ3 LYS 40 -16.696 -3.758 2.298 306 H ARG 41 H ARG 41 -11.738 -0.025 6.300 307 HA ARG 41 HA ARG 41 -12.999 2.585 6.126 308 HB2 ARG 41 HB2 ARG 41 -10.845 1.586 8.053 309 HB3 ARG 41 HB3 ARG 41 -11.809 3.035 8.271 310 HG2 ARG 41 HG2 ARG 41 -12.866 0.181 8.250 311 HG3 ARG 41 HG3 ARG 41 -12.628 1.223 9.662 312 HD2 ARG 41 HD2 ARG 41 -14.248 2.855 8.738 313 HD3 ARG 41 HD3 ARG 41 -14.557 1.750 7.376 314 HE ARG 41 HE ARG 41 -14.979 0.213 9.623 315 HH11 ARG 41 HH11 ARG 41 -16.366 3.058 8.038 316 HH12 ARG 41 HH12 ARG 41 -17.969 2.849 8.656 317 HH21 ARG 41 HH21 ARG 41 -16.970 0.123 10.743 318 HH22 ARG 41 HH22 ARG 41 -18.329 1.070 10.272 319 H VAL 42 H VAL 42 -9.686 1.433 5.507 320 HA VAL 42 HA VAL 42 -8.492 4.009 5.586 321 HB VAL 42 HB VAL 42 -7.484 1.631 3.962 322 HG11 VAL 42 HG11 VAL 42 -5.274 2.817 4.622 323 HG12 VAL 42 HG12 VAL 42 -6.287 3.649 3.432 324 HG13 VAL 42 HG13 VAL 42 -6.283 4.169 5.130 325 HG21 VAL 42 HG21 VAL 42 -6.951 2.301 6.885 326 HG22 VAL 42 HG22 VAL 42 -7.836 0.880 6.305 327 HG23 VAL 42 HG23 VAL 42 -6.123 1.034 5.936 328 H VAL 43 H VAL 43 -9.738 2.025 2.785 329 HA VAL 43 HA VAL 43 -9.181 4.070 0.926 330 HB VAL 43 HB VAL 43 -9.557 1.720 0.351 331 HG11 VAL 43 HG11 VAL 43 -11.855 0.836 -0.020 332 HG12 VAL 43 HG12 VAL 43 -11.384 0.998 1.668 333 HG13 VAL 43 HG13 VAL 43 -12.497 2.181 0.907 334 HG21 VAL 43 HG21 VAL 43 -10.675 2.146 -1.766 335 HG22 VAL 43 HG22 VAL 43 -11.376 3.633 -1.117 336 HG23 VAL 43 HG23 VAL 43 -9.625 3.498 -1.329 337 H GLN 44 H GLN 44 -12.090 3.480 2.913 338 HA GLN 44 HA GLN 44 -13.696 5.426 1.696 339 HB2 GLN 44 HB2 GLN 44 -13.607 4.336 4.533 340 HB3 GLN 44 HB3 GLN 44 -14.770 5.561 4.049 341 HG2 GLN 44 HG2 GLN 44 -14.483 2.848 2.729 342 HG3 GLN 44 HG3 GLN 44 -15.683 3.233 3.960 343 HE21 GLN 44 HE21 GLN 44 -16.039 2.321 1.130 344 HE22 GLN 44 HE22 GLN 44 -17.114 3.519 0.423 345 H HIS 45 H HIS 45 -11.149 5.799 4.099 346 HA HIS 45 HA HIS 45 -11.728 8.576 4.701 347 HB2 HIS 45 HB2 HIS 45 -10.664 7.258 6.358 348 HB3 HIS 45 HB3 HIS 45 -9.455 6.657 5.251 349 HD1 HIS 45 HD1 HIS 45 -10.278 9.879 7.173 350 HD2 HIS 45 HD2 HIS 45 -7.236 8.094 4.837 351 HE1 HIS 45 HE1 HIS 45 -8.171 11.239 7.548 352 H THR 46 H THR 46 -9.088 6.904 2.760 353 HA THR 46 HA THR 46 -7.960 9.274 1.884 354 HB THR 46 HB THR 46 -6.838 7.875 0.176 355 HG1 THR 46 HG1 THR 46 -8.351 6.340 -0.310 356 HG21 THR 46 HG21 THR 46 -5.596 6.590 1.811 357 HG22 THR 46 HG22 THR 46 -6.963 6.565 2.929 358 HG23 THR 46 HG23 THR 46 -6.093 8.085 2.588 359 H LYS 47 H LYS 47 -10.746 7.636 0.443 360 HA LYS 47 HA LYS 47 -10.782 9.070 -2.011 361 HB2 LYS 47 HB2 LYS 47 -12.979 7.923 -0.268 362 HB3 LYS 47 HB3 LYS 47 -13.333 8.654 -1.836 363 HG2 LYS 47 HG2 LYS 47 -12.208 6.970 -3.045 364 HG3 LYS 47 HG3 LYS 47 -11.292 6.424 -1.638 365 HD2 LYS 47 HD2 LYS 47 -13.014 4.796 -2.114 366 HD3 LYS 47 HD3 LYS 47 -13.319 5.577 -0.573 367 HE2 LYS 47 HE2 LYS 47 -15.390 5.225 -1.775 368 HE3 LYS 47 HE3 LYS 47 -15.083 6.949 -1.579 369 HZ1 LYS 47 HZ1 LYS 47 -14.554 5.406 -4.050 370 HZ2 LYS 47 HZ2 LYS 47 -14.378 7.044 -3.871 371 HZ3 LYS 47 HZ3 LYS 47 -15.861 6.357 -3.775 372 H GLY 48 H GLY 48 -11.639 10.140 1.221 373 HA2 GLY 48 HA2 GLY 48 -12.879 12.646 0.152 374 HA3 GLY 48 HA3 GLY 48 -13.071 11.997 1.776 375 H CYS 49 H CYS 49 -9.847 11.615 1.203 376 HA CYS 49 HA CYS 49 -9.145 13.858 2.886 377 HB2 CYS 49 HB2 CYS 49 -7.864 11.391 1.841 378 HB3 CYS 49 HB3 CYS 49 -6.765 12.715 2.024 379 H LYS 50 H LYS 50 -8.964 15.797 2.176 380 HA LYS 50 HA LYS 50 -7.681 16.385 -0.483 381 HB2 LYS 50 HB2 LYS 50 -9.985 17.086 -0.522 382 HB3 LYS 50 HB3 LYS 50 -9.841 17.860 1.048 383 HG2 LYS 50 HG2 LYS 50 -9.919 19.549 -0.625 384 HG3 LYS 50 HG3 LYS 50 -8.307 19.547 0.076 385 HD2 LYS 50 HD2 LYS 50 -7.499 18.234 -1.937 386 HD3 LYS 50 HD3 LYS 50 -9.133 18.420 -2.635 387 HE2 LYS 50 HE2 LYS 50 -8.913 20.903 -2.364 388 HE3 LYS 50 HE3 LYS 50 -7.283 20.677 -1.721 389 HZ1 LYS 50 HZ1 LYS 50 -6.688 19.699 -3.899 390 HZ2 LYS 50 HZ2 LYS 50 -7.126 21.263 -3.959 391 HZ3 LYS 50 HZ3 LYS 50 -8.173 20.113 -4.480 392 H ARG 51 H ARG 51 -7.516 16.771 2.997 393 HA ARG 51 HA ARG 51 -5.761 18.962 3.041 394 HB2 ARG 51 HB2 ARG 51 -5.260 18.302 5.340 395 HB3 ARG 51 HB3 ARG 51 -6.988 18.253 4.981 396 HG2 ARG 51 HG2 ARG 51 -6.679 15.713 4.612 397 HG3 ARG 51 HG3 ARG 51 -5.097 15.911 5.342 398 HD2 ARG 51 HD2 ARG 51 -7.784 16.573 6.587 399 HD3 ARG 51 HD3 ARG 51 -6.776 15.158 6.949 400 HE ARG 51 HE ARG 51 -5.317 17.576 7.459 401 HH11 ARG 51 HH11 ARG 51 -8.054 15.699 8.790 402 HH12 ARG 51 HH12 ARG 51 -7.936 16.471 10.337 403 HH21 ARG 51 HH21 ARG 51 -5.085 18.375 9.549 404 HH22 ARG 51 HH22 ARG 51 -6.099 17.803 10.863 405 H LYS 52 H LYS 52 -5.085 15.697 2.109 406 HA LYS 52 HA LYS 52 -2.320 15.580 2.586 407 HB2 LYS 52 HB2 LYS 52 -2.211 13.858 0.850 408 HB3 LYS 52 HB3 LYS 52 -3.545 13.615 1.949 409 HG2 LYS 52 HG2 LYS 52 -5.060 14.696 0.175 410 HG3 LYS 52 HG3 LYS 52 -3.657 14.617 -0.907 411 HD2 LYS 52 HD2 LYS 52 -3.566 12.128 -0.534 412 HD3 LYS 52 HD3 LYS 52 -4.979 12.267 0.523 413 HE2 LYS 52 HE2 LYS 52 -5.868 11.555 -1.534 414 HE3 LYS 52 HE3 LYS 52 -6.239 13.274 -1.436 415 HZ1 LYS 52 HZ1 LYS 52 -4.247 13.649 -2.854 416 HZ2 LYS 52 HZ2 LYS 52 -5.441 12.783 -3.590 417 HZ3 LYS 52 HZ3 LYS 52 -4.096 12.028 -3.050 418 H THR 53 H THR 53 -3.892 17.709 0.456 419 HA THR 53 HA THR 53 -1.897 18.061 -1.518 420 HB THR 53 HB THR 53 -3.768 20.145 -0.305 421 HG1 THR 53 HG1 THR 53 -5.221 18.793 -0.830 422 HG21 THR 53 HG21 THR 53 -2.220 21.082 -1.957 423 HG22 THR 53 HG22 THR 53 -3.855 21.040 -2.604 424 HG23 THR 53 HG23 THR 53 -2.664 19.819 -3.134 425 H ASN 54 H ASN 54 -2.339 19.470 1.777 426 HA ASN 54 HA ASN 54 0.369 20.713 1.545 427 HB2 ASN 54 HB2 ASN 54 -2.108 21.729 2.985 428 HB3 ASN 54 HB3 ASN 54 -0.488 22.394 3.186 429 HD21 ASN 54 HD21 ASN 54 0.240 23.954 1.680 430 HD22 ASN 54 HD22 ASN 54 -0.729 24.369 0.287 431 H GLY 55 H GLY 55 -1.972 19.353 3.962 432 HA2 GLY 55 HA2 GLY 55 0.348 18.222 5.434 433 HA3 GLY 55 HA3 GLY 55 -0.743 19.322 6.276 434 H GLY 56 H GLY 56 -0.708 16.299 4.354 435 HA2 GLY 56 HA2 GLY 56 -3.185 15.418 5.741 436 HA3 GLY 56 HA3 GLY 56 -2.495 14.648 4.306 437 H CYS 57 H CYS 57 -3.341 13.190 6.350 438 HA CYS 57 HA CYS 57 -1.546 12.498 8.404 439 HB2 CYS 57 HB2 CYS 57 -3.110 10.470 8.429 440 HB3 CYS 57 HB3 CYS 57 -3.900 12.025 8.525 441 HA PRO 58 HA PRO 58 1.291 9.879 6.232 442 HB2 PRO 58 HB2 PRO 58 1.732 7.738 7.855 443 HB3 PRO 58 HB3 PRO 58 2.253 9.391 8.296 444 HG2 PRO 58 HG2 PRO 58 -0.305 7.961 9.124 445 HG3 PRO 58 HG3 PRO 58 0.884 8.767 10.191 446 HD2 PRO 58 HD2 PRO 58 -1.321 10.080 9.390 447 HD3 PRO 58 HD3 PRO 58 0.249 10.925 9.422 448 H ILE 59 H ILE 59 -1.885 8.767 7.024 449 HA ILE 59 HA ILE 59 -1.867 6.131 5.923 450 HB ILE 59 HB ILE 59 -4.117 8.124 6.410 451 HG12 ILE 59 HG12 ILE 59 -2.839 5.900 8.063 452 HG13 ILE 59 HG13 ILE 59 -2.897 7.612 8.463 453 HG21 ILE 59 HG21 ILE 59 -4.314 5.107 6.075 454 HG22 ILE 59 HG22 ILE 59 -5.647 6.290 6.237 455 HG23 ILE 59 HG23 ILE 59 -4.681 6.260 4.772 456 HD11 ILE 59 HD11 ILE 59 -5.308 7.487 8.801 457 HD12 ILE 59 HD12 ILE 59 -5.284 5.734 8.455 458 HD13 ILE 59 HD13 ILE 59 -4.421 6.371 9.857 459 H CYS 60 H CYS 60 -2.852 9.361 4.576 460 HA CYS 60 HA CYS 60 -3.344 8.412 1.960 461 HB2 CYS 60 HB2 CYS 60 -2.411 11.137 2.986 462 HB3 CYS 60 HB3 CYS 60 -3.029 10.812 1.362 463 H LYS 61 H LYS 61 -0.318 9.332 3.568 464 HA LYS 61 HA LYS 61 1.230 9.448 1.107 465 HB2 LYS 61 HB2 LYS 61 1.850 10.672 3.226 466 HB3 LYS 61 HB3 LYS 61 2.288 9.119 3.954 467 HG2 LYS 61 HG2 LYS 61 3.955 8.785 2.048 468 HG3 LYS 61 HG3 LYS 61 3.497 10.385 1.464 469 HD2 LYS 61 HD2 LYS 61 5.499 10.739 2.622 470 HD3 LYS 61 HD3 LYS 61 4.247 11.289 3.739 471 HE2 LYS 61 HE2 LYS 61 4.391 9.051 4.911 472 HE3 LYS 61 HE3 LYS 61 5.694 8.593 3.804 473 HZ1 LYS 61 HZ1 LYS 61 5.756 10.820 5.747 474 HZ2 LYS 61 HZ2 LYS 61 6.989 10.475 4.718 475 HZ3 LYS 61 HZ3 LYS 61 6.557 9.388 5.869 476 H GLN 62 H GLN 62 1.161 7.030 3.810 477 HA GLN 62 HA GLN 62 2.889 5.193 2.557 478 HB2 GLN 62 HB2 GLN 62 2.388 3.749 4.326 479 HB3 GLN 62 HB3 GLN 62 2.304 5.372 5.007 480 HG2 GLN 62 HG2 GLN 62 -0.247 5.180 4.669 481 HG3 GLN 62 HG3 GLN 62 0.030 3.472 4.358 482 HE21 GLN 62 HE21 GLN 62 0.223 6.016 6.809 483 HE22 GLN 62 HE22 GLN 62 0.139 4.862 8.165 484 H LEU 63 H LEU 63 -0.617 5.644 2.226 485 HA LEU 63 HA LEU 63 -1.240 3.152 1.128 486 HB2 LEU 63 HB2 LEU 63 -2.946 4.833 1.713 487 HB3 LEU 63 HB3 LEU 63 -2.371 5.913 0.437 488 HG LEU 63 HG LEU 63 -3.100 4.314 -1.287 489 HD11 LEU 63 HD11 LEU 63 -3.874 2.574 1.087 490 HD12 LEU 63 HD12 LEU 63 -2.703 2.176 -0.187 491 HD13 LEU 63 HD13 LEU 63 -4.408 2.303 -0.587 492 HD21 LEU 63 HD21 LEU 63 -5.479 4.487 -1.016 493 HD22 LEU 63 HD22 LEU 63 -4.777 5.917 -0.255 494 HD23 LEU 63 HD23 LEU 63 -5.344 4.577 0.755 495 H ILE 64 H ILE 64 0.125 6.037 -0.423 496 HA ILE 64 HA ILE 64 0.067 4.976 -3.090 497 HB ILE 64 HB ILE 64 1.360 7.352 -1.758 498 HG12 ILE 64 HG12 ILE 64 -0.807 6.968 -3.891 499 HG13 ILE 64 HG13 ILE 64 -1.072 7.231 -2.153 500 HG21 ILE 64 HG21 ILE 64 2.105 8.216 -3.912 501 HG22 ILE 64 HG22 ILE 64 2.939 6.710 -3.553 502 HG23 ILE 64 HG23 ILE 64 1.606 6.712 -4.719 503 HD11 ILE 64 HD11 ILE 64 0.000 9.248 -4.099 504 HD12 ILE 64 HD12 ILE 64 -1.545 9.239 -3.230 505 HD13 ILE 64 HD13 ILE 64 -0.053 9.456 -2.316 506 H ALA 65 H ALA 65 2.471 4.783 -0.441 507 HA ALA 65 HA ALA 65 4.638 3.889 -1.993 508 HB1 ALA 65 HB1 ALA 65 4.793 4.540 0.412 509 HB2 ALA 65 HB2 ALA 65 3.968 3.030 0.858 510 HB3 ALA 65 HB3 ALA 65 5.550 2.969 0.067 511 H LEU 66 H LEU 66 2.059 1.961 -0.395 512 HA LEU 66 HA LEU 66 3.064 -0.530 -1.559 513 HB2 LEU 66 HB2 LEU 66 0.522 0.119 -0.039 514 HB3 LEU 66 HB3 LEU 66 0.795 -1.442 -0.795 515 HG LEU 66 HG LEU 66 2.352 -0.212 1.486 516 HD11 LEU 66 HD11 LEU 66 0.274 -1.344 2.075 517 HD12 LEU 66 HD12 LEU 66 1.635 -2.313 2.632 518 HD13 LEU 66 HD13 LEU 66 0.752 -2.796 1.169 519 HD21 LEU 66 HD21 LEU 66 3.084 -2.758 -0.013 520 HD22 LEU 66 HD22 LEU 66 3.700 -2.322 1.568 521 HD23 LEU 66 HD23 LEU 66 4.088 -1.306 0.171 522 H ALA 67 H ALA 67 0.524 1.853 -2.411 523 HA ALA 67 HA ALA 67 -0.761 0.307 -4.435 524 HB1 ALA 67 HB1 ALA 67 -1.583 2.436 -5.322 525 HB2 ALA 67 HB2 ALA 67 -1.725 2.423 -3.555 526 HB3 ALA 67 HB3 ALA 67 -0.411 3.317 -4.333 527 H ALA 68 H ALA 68 2.171 2.365 -4.536 528 HA ALA 68 HA ALA 68 2.577 2.416 -7.296 529 HB1 ALA 68 HB1 ALA 68 3.925 3.673 -5.516 530 HB2 ALA 68 HB2 ALA 68 4.718 2.135 -5.149 531 HB3 ALA 68 HB3 ALA 68 4.926 2.872 -6.746 532 H TYR 69 H TYR 69 3.233 -0.171 -5.007 533 HA TYR 69 HA TYR 69 4.845 -1.758 -6.898 534 HB2 TYR 69 HB2 TYR 69 3.626 -2.320 -4.173 535 HB3 TYR 69 HB3 TYR 69 4.301 -3.593 -5.183 536 HD1 TYR 69 HD1 TYR 69 6.152 -0.424 -5.496 537 HD2 TYR 69 HD2 TYR 69 5.694 -4.072 -3.225 538 HE1 TYR 69 HE1 TYR 69 8.437 -0.159 -4.633 539 HE2 TYR 69 HE2 TYR 69 7.990 -3.819 -2.368 540 HH TYR 69 HH TYR 69 10.031 -2.865 -3.114 541 H HIS 70 H HIS 70 1.450 -1.690 -5.701 542 HA HIS 70 HA HIS 70 0.663 -3.966 -7.250 543 HB2 HIS 70 HB2 HIS 70 -0.839 -3.390 -5.583 544 HB3 HIS 70 HB3 HIS 70 -0.766 -1.668 -5.917 545 HD1 HIS 70 HD1 HIS 70 -2.378 -4.906 -7.341 546 HD2 HIS 70 HD2 HIS 70 -2.381 -0.702 -7.640 547 HE1 HIS 70 HE1 HIS 70 -4.410 -4.314 -8.684 548 H ALA 71 H ALA 71 0.962 -0.479 -8.095 549 HA ALA 71 HA ALA 71 -0.382 -0.544 -10.532 550 HB1 ALA 71 HB1 ALA 71 0.413 1.494 -9.377 551 HB2 ALA 71 HB2 ALA 71 2.092 1.098 -9.839 552 HB3 ALA 71 HB3 ALA 71 0.879 1.471 -11.086 553 H LYS 72 H LYS 72 2.650 -2.161 -9.897 554 HA LYS 72 HA LYS 72 3.218 -2.303 -12.828 555 HB2 LYS 72 HB2 LYS 72 5.340 -3.393 -12.234 556 HB3 LYS 72 HB3 LYS 72 5.233 -1.732 -11.666 557 HG2 LYS 72 HG2 LYS 72 4.908 -2.405 -9.411 558 HG3 LYS 72 HG3 LYS 72 4.571 -4.079 -9.858 559 HD2 LYS 72 HD2 LYS 72 6.715 -4.658 -9.745 560 HD3 LYS 72 HD3 LYS 72 7.229 -3.335 -10.792 561 HE2 LYS 72 HE2 LYS 72 6.604 -2.995 -7.836 562 HE3 LYS 72 HE3 LYS 72 8.208 -3.397 -8.470 563 HZ1 LYS 72 HZ1 LYS 72 8.081 -1.082 -8.212 564 HZ2 LYS 72 HZ2 LYS 72 6.704 -0.948 -9.173 565 HZ3 LYS 72 HZ3 LYS 72 8.117 -1.399 -9.820 566 H HIS 73 H HIS 73 1.587 -3.983 -10.377 567 HA HIS 73 HA HIS 73 1.811 -6.581 -11.798 568 HB2 HIS 73 HB2 HIS 73 1.354 -5.951 -8.856 569 HB3 HIS 73 HB3 HIS 73 1.349 -7.566 -9.558 570 HD1 HIS 73 HD1 HIS 73 3.442 -6.606 -7.271 571 HD2 HIS 73 HD2 HIS 73 4.079 -6.981 -11.429 572 HE1 HIS 73 HE1 HIS 73 5.952 -6.923 -7.608 573 H CYS 74 H CYS 74 -0.310 -4.095 -11.743 574 HA CYS 74 HA CYS 74 -2.706 -5.509 -10.896 575 HB2 CYS 74 HB2 CYS 74 -2.247 -2.969 -10.933 576 HB3 CYS 74 HB3 CYS 74 -2.718 -3.043 -12.648 577 H GLN 75 H GLN 75 -4.519 -5.547 -12.584 578 HA GLN 75 HA GLN 75 -3.802 -7.563 -14.575 579 HB2 GLN 75 HB2 GLN 75 -6.422 -6.237 -13.778 580 HB3 GLN 75 HB3 GLN 75 -6.296 -7.415 -15.071 581 HG2 GLN 75 HG2 GLN 75 -5.539 -7.957 -12.178 582 HG3 GLN 75 HG3 GLN 75 -7.088 -8.355 -12.902 583 HE21 GLN 75 HE21 GLN 75 -6.645 -9.688 -15.262 584 HE22 GLN 75 HE22 GLN 75 -5.693 -11.103 -14.917 585 H GLU 76 H GLU 76 -5.941 -4.750 -15.160 586 HA GLU 76 HA GLU 76 -4.694 -4.319 -17.803 587 HB2 GLU 76 HB2 GLU 76 -7.088 -4.622 -17.711 588 HB3 GLU 76 HB3 GLU 76 -7.278 -3.370 -16.477 589 HG2 GLU 76 HG2 GLU 76 -7.040 -1.640 -17.993 590 HG3 GLU 76 HG3 GLU 76 -5.983 -2.557 -19.058 591 H ASN 77 H ASN 77 -4.838 -1.687 -18.220 592 HA ASN 77 HA ASN 77 -2.855 -0.560 -16.341 593 HB2 ASN 77 HB2 ASN 77 -4.014 0.801 -18.772 594 HB3 ASN 77 HB3 ASN 77 -2.449 1.093 -18.029 595 HD21 ASN 77 HD21 ASN 77 -1.074 -1.232 -18.027 596 HD22 ASN 77 HD22 ASN 77 -1.165 -2.024 -19.610 597 H LYS 78 H LYS 78 -6.264 -0.339 -17.065 598 HA LYS 78 HA LYS 78 -6.619 2.260 -15.765 599 HB2 LYS 78 HB2 LYS 78 -7.596 1.456 -18.132 600 HB3 LYS 78 HB3 LYS 78 -8.754 0.567 -17.154 601 HG2 LYS 78 HG2 LYS 78 -9.800 2.621 -17.514 602 HG3 LYS 78 HG3 LYS 78 -9.093 2.852 -15.908 603 HD2 LYS 78 HD2 LYS 78 -7.012 3.739 -17.409 604 HD3 LYS 78 HD3 LYS 78 -8.292 4.058 -18.568 605 HE2 LYS 78 HE2 LYS 78 -8.193 4.984 -15.675 606 HE3 LYS 78 HE3 LYS 78 -7.698 5.948 -17.068 607 HZ1 LYS 78 HZ1 LYS 78 -9.792 6.688 -16.734 608 HZ2 LYS 78 HZ2 LYS 78 -10.423 5.258 -16.254 609 HZ3 LYS 78 HZ3 LYS 78 -10.123 5.525 -17.847 610 H CYS 79 H CYS 79 -5.712 0.776 -13.910 611 HA CYS 79 HA CYS 79 -7.102 -1.249 -12.736 612 HB2 CYS 79 HB2 CYS 79 -5.591 1.037 -11.411 613 HB3 CYS 79 HB3 CYS 79 -5.891 -0.556 -10.701 614 HA PRO 80 HA PRO 80 -10.838 0.567 -11.221 615 HB2 PRO 80 HB2 PRO 80 -11.420 -1.115 -9.081 616 HB3 PRO 80 HB3 PRO 80 -11.715 -1.494 -10.808 617 HG2 PRO 80 HG2 PRO 80 -9.346 -2.301 -9.098 618 HG3 PRO 80 HG3 PRO 80 -10.308 -3.311 -10.234 619 HD2 PRO 80 HD2 PRO 80 -7.951 -2.264 -11.013 620 HD3 PRO 80 HD3 PRO 80 -9.337 -2.283 -12.126 621 H VAL 81 H VAL 81 -8.242 -0.182 -8.859 622 HA VAL 81 HA VAL 81 -9.159 1.520 -6.810 623 HB VAL 81 HB VAL 81 -6.385 0.451 -7.469 624 HG11 VAL 81 HG11 VAL 81 -5.868 0.850 -5.099 625 HG12 VAL 81 HG12 VAL 81 -6.190 2.371 -5.935 626 HG13 VAL 81 HG13 VAL 81 -7.447 1.677 -4.887 627 HG21 VAL 81 HG21 VAL 81 -7.958 -1.361 -7.083 628 HG22 VAL 81 HG22 VAL 81 -7.023 -1.158 -5.596 629 HG23 VAL 81 HG23 VAL 81 -8.674 -0.526 -5.703 630 HA PRO 82 HA PRO 82 -8.208 5.339 -8.905 631 HB2 PRO 82 HB2 PRO 82 -8.630 7.149 -6.849 632 HB3 PRO 82 HB3 PRO 82 -9.922 6.320 -7.778 633 HG2 PRO 82 HG2 PRO 82 -8.818 5.603 -5.068 634 HG3 PRO 82 HG3 PRO 82 -10.528 5.639 -5.595 635 HD2 PRO 82 HD2 PRO 82 -9.034 3.346 -5.465 636 HD3 PRO 82 HD3 PRO 82 -10.318 3.538 -6.669 637 H PHE 83 H PHE 83 -6.510 4.451 -5.918 638 HA PHE 83 HA PHE 83 -4.485 6.544 -6.259 639 HB2 PHE 83 HB2 PHE 83 -4.991 4.351 -4.263 640 HB3 PHE 83 HB3 PHE 83 -3.363 4.942 -4.471 641 HD1 PHE 83 HD1 PHE 83 -6.624 6.950 -4.523 642 HD2 PHE 83 HD2 PHE 83 -2.845 6.142 -2.621 643 HE1 PHE 83 HE1 PHE 83 -6.993 8.835 -2.951 644 HE2 PHE 83 HE2 PHE 83 -3.220 8.046 -1.057 645 HZ PHE 83 HZ PHE 83 -5.328 9.353 -1.192 646 H CYS 84 H CYS 84 -4.899 3.157 -7.309 647 HA CYS 84 HA CYS 84 -2.189 2.500 -7.764 648 HB2 CYS 84 HB2 CYS 84 -4.068 0.895 -7.854 649 HB3 CYS 84 HB3 CYS 84 -4.751 1.720 -9.269 650 H LEU 85 H LEU 85 -4.589 3.696 -10.061 651 HA LEU 85 HA LEU 85 -2.856 4.332 -12.152 652 HB2 LEU 85 HB2 LEU 85 -4.693 5.636 -13.125 653 HB3 LEU 85 HB3 LEU 85 -5.128 4.037 -12.570 654 HG LEU 85 HG LEU 85 -5.978 5.272 -10.396 655 HD11 LEU 85 HD11 LEU 85 -5.155 7.558 -11.008 656 HD12 LEU 85 HD12 LEU 85 -6.920 7.501 -10.855 657 HD13 LEU 85 HD13 LEU 85 -6.171 7.505 -12.456 658 HD21 LEU 85 HD21 LEU 85 -7.405 4.011 -11.846 659 HD22 LEU 85 HD22 LEU 85 -7.383 5.289 -13.070 660 HD23 LEU 85 HD23 LEU 85 -8.200 5.546 -11.491 661 H ASN 86 H ASN 86 -3.422 6.163 -9.238 662 HA ASN 86 HA ASN 86 -2.573 8.733 -10.165 663 HB2 ASN 86 HB2 ASN 86 -3.595 8.245 -7.882 664 HB3 ASN 86 HB3 ASN 86 -2.019 7.622 -7.385 665 HD21 ASN 86 HD21 ASN 86 -3.744 10.208 -6.703 666 HD22 ASN 86 HD22 ASN 86 -2.492 11.442 -6.778 667 H ILE 87 H ILE 87 -0.683 5.965 -8.786 668 HA ILE 87 HA ILE 87 1.836 7.227 -9.077 669 HB ILE 87 HB ILE 87 1.103 4.275 -9.085 670 HG12 ILE 87 HG12 ILE 87 2.462 4.569 -6.847 671 HG13 ILE 87 HG13 ILE 87 2.132 6.266 -7.016 672 HG21 ILE 87 HG21 ILE 87 3.219 4.466 -10.305 673 HG22 ILE 87 HG22 ILE 87 3.883 5.532 -9.043 674 HG23 ILE 87 HG23 ILE 87 3.528 3.822 -8.713 675 HD11 ILE 87 HD11 ILE 87 -0.058 4.126 -6.997 676 HD12 ILE 87 HD12 ILE 87 0.597 4.849 -5.531 677 HD13 ILE 87 HD13 ILE 87 -0.222 5.889 -6.691 678 H LYS 88 H LYS 88 -0.055 5.369 -11.497 679 HA LYS 88 HA LYS 88 2.042 5.455 -13.432 680 HB2 LYS 88 HB2 LYS 88 -0.502 4.275 -13.339 681 HB3 LYS 88 HB3 LYS 88 -0.695 5.515 -14.572 682 HG2 LYS 88 HG2 LYS 88 0.026 3.562 -15.729 683 HG3 LYS 88 HG3 LYS 88 1.454 4.604 -15.656 684 HD2 LYS 88 HD2 LYS 88 2.216 3.262 -13.616 685 HD3 LYS 88 HD3 LYS 88 0.804 2.238 -13.832 686 HE2 LYS 88 HE2 LYS 88 2.656 1.083 -14.773 687 HE3 LYS 88 HE3 LYS 88 1.639 1.609 -16.117 688 HZ1 LYS 88 HZ1 LYS 88 3.222 3.255 -16.685 689 HZ2 LYS 88 HZ2 LYS 88 4.078 1.897 -16.358 690 HZ3 LYS 88 HZ3 LYS 88 4.062 3.087 -15.260 691 H GLN 89 H GLN 89 -0.038 8.041 -12.340 692 HA GLN 89 HA GLN 89 0.435 9.618 -14.810 693 HB2 GLN 89 HB2 GLN 89 -0.922 10.243 -12.154 694 HB3 GLN 89 HB3 GLN 89 -0.752 11.393 -13.470 695 HG2 GLN 89 HG2 GLN 89 -2.103 8.732 -13.995 696 HG3 GLN 89 HG3 GLN 89 -2.961 10.028 -13.175 697 HE21 GLN 89 HE21 GLN 89 -3.468 11.998 -14.330 698 HE22 GLN 89 HE22 GLN 89 -3.377 12.055 -16.085 699 H LYS 90 H LYS 90 1.714 9.267 -11.518 700 HA LYS 90 HA LYS 90 3.088 11.736 -11.276 701 HB2 LYS 90 HB2 LYS 90 3.877 8.984 -10.215 702 HB3 LYS 90 HB3 LYS 90 4.627 10.499 -9.708 703 HG2 LYS 90 HG2 LYS 90 2.579 11.300 -8.726 704 HG3 LYS 90 HG3 LYS 90 1.661 9.948 -9.400 705 HD2 LYS 90 HD2 LYS 90 3.267 8.388 -8.101 706 HD3 LYS 90 HD3 LYS 90 3.801 9.824 -7.254 707 HE2 LYS 90 HE2 LYS 90 0.938 8.793 -7.475 708 HE3 LYS 90 HE3 LYS 90 2.004 8.586 -6.055 709 HZ1 LYS 90 HZ1 LYS 90 0.986 10.484 -5.401 710 HZ2 LYS 90 HZ2 LYS 90 0.552 10.921 -6.945 711 HZ3 LYS 90 HZ3 LYS 90 2.088 11.198 -6.341 712 H GLY 91 H GLY 91 4.261 8.624 -12.536 713 HA2 GLY 91 HA2 GLY 91 5.961 8.049 -13.886 714 HA3 GLY 91 HA3 GLY 91 6.070 9.719 -14.401 715 H GLY 92 H GLY 92 6.744 10.661 -11.600 716 HA2 GLY 92 HA2 GLY 92 8.427 10.197 -9.914 717 HA3 GLY 92 HA3 GLY 92 9.431 9.454 -11.123 718 H SER 93 H SER 93 7.982 12.565 -12.096 719 HA SER 93 HA SER 93 10.590 13.721 -12.297 720 HB2 SER 93 HB2 SER 93 7.892 15.131 -12.400 721 HB3 SER 93 HB3 SER 93 9.424 15.709 -13.067 722 HG SER 93 HG SER 93 8.587 14.862 -14.781 723 H GLY 94 H GLY 94 10.949 16.057 -11.421 724 HA2 GLY 94 HA2 GLY 94 10.801 17.648 -9.721 725 HA3 GLY 94 HA3 GLY 94 10.008 16.506 -8.662 726 H GLY 95 H GLY 95 12.617 14.752 -9.854 727 HA2 GLY 95 HA2 GLY 95 14.787 14.437 -9.126 728 HA3 GLY 95 HA3 GLY 95 14.724 15.965 -8.279 729 H GLY 96 H GLY 96 12.101 14.109 -7.141 730 HA2 GLY 96 HA2 GLY 96 13.320 12.208 -5.454 731 HA3 GLY 96 HA3 GLY 96 13.440 13.738 -4.598 732 H THR 97 H THR 97 10.498 13.827 -6.273 733 HA THR 97 HA THR 97 8.860 13.904 -4.104 734 HB THR 97 HB THR 97 8.392 13.155 -6.995 735 HG1 THR 97 HG1 THR 97 8.840 15.366 -6.170 736 HG21 THR 97 HG21 THR 97 6.552 12.015 -5.870 737 HG22 THR 97 HG22 THR 97 5.944 13.469 -6.648 738 HG23 THR 97 HG23 THR 97 6.207 13.460 -4.890 739 H GLY 98 H GLY 98 7.894 12.559 -2.724 740 HA2 GLY 98 HA2 GLY 98 6.746 10.149 -2.925 741 HA3 GLY 98 HA3 GLY 98 8.435 9.665 -2.842 742 H GLY 99 H GLY 99 8.701 12.306 -1.042 743 HA2 GLY 99 HA2 GLY 99 7.409 12.478 1.257 744 HA3 GLY 99 HA3 GLY 99 8.223 10.924 1.508 745 H GLY 100 H GLY 100 10.436 12.246 -0.432 746 HA2 GLY 100 HA2 GLY 100 12.259 13.606 -0.239 747 HA3 GLY 100 HA3 GLY 100 11.616 14.308 1.222 748 H SER 101 H SER 101 11.823 10.801 1.205 749 HA SER 101 HA SER 101 13.420 10.605 3.491 750 HB2 SER 101 HB2 SER 101 12.658 8.718 1.253 751 HB3 SER 101 HB3 SER 101 13.930 8.240 2.364 752 HG SER 101 HG SER 101 12.412 7.617 3.562 753 H GLY 102 H GLY 102 14.470 9.998 0.106 754 HA2 GLY 102 HA2 GLY 102 16.507 10.083 -0.923 755 HA3 GLY 102 HA3 GLY 102 16.798 11.496 0.101 756 H THR 103 H THR 103 16.318 8.436 1.717 757 HA THR 103 HA THR 103 18.434 8.409 3.292 758 HB THR 103 HB THR 103 17.286 5.833 2.218 759 HG1 THR 103 HG1 THR 103 15.415 6.292 3.471 760 HG21 THR 103 HG21 THR 103 18.809 5.828 4.195 761 HG22 THR 103 HG22 THR 103 17.169 5.317 4.636 762 HG23 THR 103 HG23 THR 103 17.719 6.957 5.038 763 H ILE 104 H ILE 104 20.547 7.905 3.264 764 HA ILE 104 HA ILE 104 21.952 7.700 0.779 765 HB ILE 104 HB ILE 104 23.033 7.280 3.606 766 HG12 ILE 104 HG12 ILE 104 22.734 9.845 2.003 767 HG13 ILE 104 HG13 ILE 104 21.892 9.430 3.503 768 HG21 ILE 104 HG21 ILE 104 25.200 7.878 2.629 769 HG22 ILE 104 HG22 ILE 104 24.541 6.519 1.754 770 HG23 ILE 104 HG23 ILE 104 24.452 8.144 1.037 771 HD11 ILE 104 HD11 ILE 104 23.602 10.975 4.072 772 HD12 ILE 104 HD12 ILE 104 24.083 9.388 4.705 773 HD13 ILE 104 HD13 ILE 104 24.846 10.041 3.233 774 H GLU 105 H GLU 105 21.694 5.472 3.551 775 HA GLU 105 HA GLU 105 23.016 3.283 2.320 776 HB2 GLU 105 HB2 GLU 105 21.219 3.173 4.764 777 HB3 GLU 105 HB3 GLU 105 22.590 2.139 4.346 778 HG2 GLU 105 HG2 GLU 105 24.061 4.236 4.518 779 HG3 GLU 105 HG3 GLU 105 22.666 5.066 5.199 780 H GLY 106 H GLY 106 21.727 1.001 2.644 781 HA2 GLY 106 HA2 GLY 106 20.130 -0.402 1.821 782 HA3 GLY 106 HA3 GLY 106 18.983 0.953 1.795 783 H ARG 107 H ARG 107 22.105 1.045 0.199 784 HA ARG 107 HA ARG 107 20.849 1.617 -2.389 785 HB2 ARG 107 HB2 ARG 107 22.761 2.902 -1.414 786 HB3 ARG 107 HB3 ARG 107 23.815 1.511 -1.686 787 HG2 ARG 107 HG2 ARG 107 23.399 1.598 -4.109 788 HG3 ARG 107 HG3 ARG 107 22.140 2.809 -3.891 789 HD2 ARG 107 HD2 ARG 107 25.104 3.179 -3.439 790 HD3 ARG 107 HD3 ARG 107 24.130 3.886 -4.730 791 HE ARG 107 HE ARG 107 24.234 4.656 -1.877 792 HH11 ARG 107 HH11 ARG 107 22.780 5.433 -5.064 793 HH12 ARG 107 HH12 ARG 107 22.023 6.877 -4.428 794 HH21 ARG 107 HH21 ARG 107 22.790 6.226 -1.095 795 HH22 ARG 107 HH22 ARG 107 22.102 7.365 -2.240 796 H GLY 108 H GLY 108 19.845 -0.511 -2.436 797 HA2 GLY 108 HA2 GLY 108 19.746 -2.484 -3.648 798 HA3 GLY 108 HA3 GLY 108 21.452 -2.317 -4.051 799 H ASP 109 H ASP 109 19.824 -2.617 -0.844 800 HA ASP 109 HA ASP 109 21.152 -5.239 -0.360 801 HB2 ASP 109 HB2 ASP 109 22.469 -3.881 1.046 802 HB3 ASP 109 HB3 ASP 109 21.128 -2.790 1.417 803 H GLY 110 H GLY 110 19.510 -6.641 -0.101 804 HA2 GLY 110 HA2 GLY 110 17.542 -7.551 0.593 805 HA3 GLY 110 HA3 GLY 110 17.113 -6.048 1.413 806 H GLY 111 H GLY 111 17.149 -4.254 -0.590 807 HA2 GLY 111 HA2 GLY 111 16.335 -3.583 -2.717 808 HA3 GLY 111 HA3 GLY 111 15.586 -5.170 -2.935 809 H THR 112 H THR 112 14.714 -4.301 0.209 810 HA THR 112 HA THR 112 12.260 -2.905 -0.711 811 HB THR 112 HB THR 112 11.212 -4.110 1.293 812 HG1 THR 112 HG1 THR 112 13.040 -4.932 2.288 813 HG21 THR 112 HG21 THR 112 10.728 -4.655 -1.030 814 HG22 THR 112 HG22 THR 112 10.755 -6.107 -0.023 815 HG23 THR 112 HG23 THR 112 12.139 -5.742 -1.084 816 H THR 113 H THR 113 14.942 -1.855 0.345 817 HA THR 113 HA THR 113 14.955 -0.929 2.788 818 HB THR 113 HB THR 113 16.548 -0.501 0.874 819 HG1 THR 113 HG1 THR 113 16.761 0.304 3.027 820 HG21 THR 113 HG21 THR 113 15.008 2.120 0.631 821 HG22 THR 113 HG22 THR 113 14.980 0.818 -0.595 822 HG23 THR 113 HG23 THR 113 16.493 1.655 -0.223 823 H PHE 114 H PHE 114 12.498 0.256 0.565 824 HA PHE 114 HA PHE 114 11.697 2.591 1.898 825 HB2 PHE 114 HB2 PHE 114 9.779 2.554 0.673 826 HB3 PHE 114 HB3 PHE 114 10.872 1.635 -0.338 827 HD1 PHE 114 HD1 PHE 114 7.614 1.786 0.970 828 HD2 PHE 114 HD2 PHE 114 10.705 -1.054 -0.001 829 HE1 PHE 114 HE1 PHE 114 5.926 0.013 0.734 830 HE2 PHE 114 HE2 PHE 114 9.018 -2.856 -0.120 831 HZ PHE 114 HZ PHE 114 6.609 -2.334 0.233 832 H GLU 115 H GLU 115 11.453 -0.731 2.857 833 HA GLU 115 HA GLU 115 9.388 -0.870 4.625 834 HB2 GLU 115 HB2 GLU 115 10.617 -2.730 5.631 835 HB3 GLU 115 HB3 GLU 115 10.793 -2.765 3.884 836 HG2 GLU 115 HG2 GLU 115 13.064 -1.552 4.241 837 HG3 GLU 115 HG3 GLU 115 12.843 -1.863 5.954 838 H HIS 116 H HIS 116 12.363 0.949 4.951 839 HA HIS 116 HA HIS 116 12.535 1.187 7.751 840 HB2 HIS 116 HB2 HIS 116 14.211 2.629 7.360 841 HB3 HIS 116 HB3 HIS 116 14.179 1.859 5.792 842 HD1 HIS 116 HD1 HIS 116 14.041 5.152 7.472 843 HD2 HIS 116 HD2 HIS 116 13.250 3.471 3.693 844 HE1 HIS 116 HE1 HIS 116 14.111 7.065 5.806 845 H LEU 117 H LEU 117 10.354 2.757 5.439 846 HA LEU 117 HA LEU 117 9.480 4.903 7.124 847 HB2 LEU 117 HB2 LEU 117 8.178 3.465 4.765 848 HB3 LEU 117 HB3 LEU 117 7.308 4.634 5.735 849 HG LEU 117 HG LEU 117 9.188 6.306 5.266 850 HD11 LEU 117 HD11 LEU 117 10.840 4.727 4.322 851 HD12 LEU 117 HD12 LEU 117 10.439 6.017 3.186 852 HD13 LEU 117 HD13 LEU 117 9.745 4.391 2.966 853 HD21 LEU 117 HD21 LEU 117 8.165 6.964 3.117 854 HD22 LEU 117 HD22 LEU 117 6.936 6.456 4.285 855 HD23 LEU 117 HD23 LEU 117 7.409 5.354 2.980 856 H TRP 118 H TRP 118 8.450 1.443 6.861 857 HA TRP 118 HA TRP 118 6.156 1.689 8.474 858 HB2 TRP 118 HB2 TRP 118 7.965 -0.723 8.252 859 HB3 TRP 118 HB3 TRP 118 6.267 -0.708 8.700 860 HD1 TRP 118 HD1 TRP 118 8.093 -1.936 6.094 861 HE1 TRP 118 HE1 TRP 118 6.917 -1.900 3.799 862 HE3 TRP 118 HE3 TRP 118 4.363 1.295 7.184 863 HZ2 TRP 118 HZ2 TRP 118 4.752 -0.419 2.546 864 HZ3 TRP 118 HZ3 TRP 118 2.657 1.916 5.482 865 HH2 TRP 118 HH2 TRP 118 2.911 1.149 3.123 866 H SER 119 H SER 119 9.556 1.680 9.400 867 HA SER 119 HA SER 119 9.154 0.928 12.135 868 HB2 SER 119 HB2 SER 119 11.353 1.026 10.774 869 HB3 SER 119 HB3 SER 119 11.353 2.761 11.108 870 HG SER 119 HG SER 119 12.551 1.772 12.713 871 H SER 120 H SER 120 8.134 3.739 10.438 872 HA SER 120 HA SER 120 8.080 5.422 12.891 873 HB2 SER 120 HB2 SER 120 9.207 6.195 10.654 874 HB3 SER 120 HB3 SER 120 7.550 6.417 10.083 875 HG SER 120 HG SER 120 8.726 8.237 11.144 876 H LEU 121 H LEU 121 6.199 3.266 11.028 877 HA LEU 121 HA LEU 121 3.664 4.717 11.222 878 HB2 LEU 121 HB2 LEU 121 4.308 3.034 9.377 879 HB3 LEU 121 HB3 LEU 121 4.159 1.778 10.600 880 HG LEU 121 HG LEU 121 1.974 3.598 9.485 881 HD11 LEU 121 HD11 LEU 121 0.949 1.429 8.869 882 HD12 LEU 121 HD12 LEU 121 2.358 0.565 9.509 883 HD13 LEU 121 HD13 LEU 121 2.497 1.659 8.106 884 HD21 LEU 121 HD21 LEU 121 0.403 2.226 10.940 885 HD22 LEU 121 HD22 LEU 121 1.362 3.436 11.793 886 HD23 LEU 121 HD23 LEU 121 1.858 1.722 11.826 887 H GLU 122 H GLU 122 2.737 4.830 13.243 888 HA GLU 122 HA GLU 122 3.825 3.806 15.575 889 HB2 GLU 122 HB2 GLU 122 2.064 5.645 15.186 890 HB3 GLU 122 HB3 GLU 122 0.881 4.347 15.085 891 HG2 GLU 122 HG2 GLU 122 0.828 5.276 17.308 892 HG3 GLU 122 HG3 GLU 122 1.477 3.646 17.414 893 HA PRO 123 HA PRO 123 2.587 -0.502 15.214 894 HB2 PRO 123 HB2 PRO 123 3.251 -1.493 17.668 895 HB3 PRO 123 HB3 PRO 123 4.453 -0.920 16.484 896 HG2 PRO 123 HG2 PRO 123 3.255 0.643 18.792 897 HG3 PRO 123 HG3 PRO 123 4.991 0.400 18.397 898 HD2 PRO 123 HD2 PRO 123 3.641 2.617 17.602 899 HD3 PRO 123 HD3 PRO 123 4.868 1.864 16.548 900 H ASP 124 H ASP 124 0.403 1.232 15.512 901 HA ASP 124 HA ASP 124 -1.369 0.394 17.674 902 HB2 ASP 124 HB2 ASP 124 -1.758 1.966 15.086 903 HB3 ASP 124 HB3 ASP 124 -3.112 1.533 16.125 904 H SER 125 H SER 125 -0.660 -0.512 14.386 905 HA SER 125 HA SER 125 -1.413 -1.910 12.850 906 HB2 SER 125 HB2 SER 125 -1.508 -3.735 15.250 907 HB3 SER 125 HB3 SER 125 -1.380 -4.238 13.544 908 HG SER 125 HG SER 125 0.563 -2.876 13.479 909 H THR 126 H THR 126 -3.634 -0.351 14.163 910 HA THR 126 HA THR 126 -5.924 -2.145 13.922 911 HB THR 126 HB THR 126 -5.747 -0.376 15.634 912 HG1 THR 126 HG1 THR 126 -7.883 0.070 15.563 913 HG21 THR 126 HG21 THR 126 -6.364 1.563 13.380 914 HG22 THR 126 HG22 THR 126 -4.818 1.472 14.274 915 HG23 THR 126 HG23 THR 126 -6.301 1.923 15.118 916 H TYR 127 H TYR 127 -4.238 0.113 11.734 917 HA TYR 127 HA TYR 127 -6.423 -0.405 9.745 918 HB2 TYR 127 HB2 TYR 127 -6.042 1.686 8.792 919 HB3 TYR 127 HB3 TYR 127 -6.276 1.916 10.509 920 HD1 TYR 127 HD1 TYR 127 -4.002 2.313 7.678 921 HD2 TYR 127 HD2 TYR 127 -4.283 2.520 11.985 922 HE1 TYR 127 HE1 TYR 127 -1.872 3.561 7.741 923 HE2 TYR 127 HE2 TYR 127 -2.164 3.777 12.060 924 HH TYR 127 HH TYR 127 -0.603 4.941 10.817 925 H PHE 128 H PHE 128 -2.936 -0.510 10.326 926 HA PHE 128 HA PHE 128 -2.582 -1.791 7.663 927 HB2 PHE 128 HB2 PHE 128 -1.211 0.428 8.894 928 HB3 PHE 128 HB3 PHE 128 -0.106 -0.925 8.787 929 HD1 PHE 128 HD1 PHE 128 1.116 -1.175 6.758 930 HD2 PHE 128 HD2 PHE 128 -2.702 0.837 6.693 931 HE1 PHE 128 HE1 PHE 128 1.393 -0.689 4.362 932 HE2 PHE 128 HE2 PHE 128 -2.405 1.356 4.314 933 HZ PHE 128 HZ PHE 128 -0.361 0.632 3.119 934 H ASP 129 H ASP 129 -0.662 -3.320 7.718 935 HA ASP 129 HA ASP 129 -0.938 -5.055 10.112 936 HB2 ASP 129 HB2 ASP 129 -1.676 -6.002 7.857 937 HB3 ASP 129 HB3 ASP 129 0.029 -5.957 7.378 938 H LEU 130 H LEU 130 0.941 -5.757 11.075 939 HA LEU 130 HA LEU 130 3.185 -3.968 10.880 940 HB2 LEU 130 HB2 LEU 130 4.244 -5.594 12.559 941 HB3 LEU 130 HB3 LEU 130 2.849 -4.637 13.009 942 HG LEU 130 HG LEU 130 1.352 -6.559 12.802 943 HD11 LEU 130 HD11 LEU 130 2.472 -7.933 11.121 944 HD12 LEU 130 HD12 LEU 130 2.252 -8.848 12.610 945 HD13 LEU 130 HD13 LEU 130 3.856 -8.191 12.213 946 HD21 LEU 130 HD21 LEU 130 3.793 -7.056 14.556 947 HD22 LEU 130 HD22 LEU 130 2.169 -7.741 14.775 948 HD23 LEU 130 HD23 LEU 130 2.414 -6.006 14.942 Start of MODEL 3 1 H1 ALA 1 H ALA 1 10.609 -28.401 -10.606 2 HA ALA 1 HA ALA 1 11.937 -27.397 -8.791 3 HB1 ALA 1 HB1 ALA 1 12.432 -26.122 -11.518 4 HB2 ALA 1 HB2 ALA 1 13.613 -26.278 -10.205 5 HB3 ALA 1 HB3 ALA 1 13.006 -27.734 -11.018 6 H THR 2 H THR 2 12.346 -25.628 -7.462 7 HA THR 2 HA THR 2 11.548 -22.977 -8.173 8 HB THR 2 HB THR 2 9.336 -23.910 -7.577 9 HG1 THR 2 HG1 THR 2 9.039 -22.406 -5.721 10 HG21 THR 2 HG21 THR 2 10.059 -25.694 -5.981 11 HG22 THR 2 HG22 THR 2 8.773 -24.665 -5.361 12 HG23 THR 2 HG23 THR 2 10.445 -24.430 -4.798 13 H GLN 3 H GLN 3 12.512 -21.514 -6.640 14 HA GLN 3 HA GLN 3 13.848 -22.427 -4.287 15 HB2 GLN 3 HB2 GLN 3 15.455 -23.315 -6.023 16 HB3 GLN 3 HB3 GLN 3 15.619 -21.693 -6.677 17 HG2 GLN 3 HG2 GLN 3 17.511 -22.192 -5.260 18 HG3 GLN 3 HG3 GLN 3 16.589 -20.915 -4.502 19 HE21 GLN 3 HE21 GLN 3 16.325 -21.229 -2.200 20 HE22 GLN 3 HE22 GLN 3 16.575 -22.797 -1.503 21 H SER 4 H SER 4 14.223 -20.676 -3.006 22 HA SER 4 HA SER 4 14.638 -17.975 -4.015 23 HB2 SER 4 HB2 SER 4 12.404 -18.672 -2.059 24 HB3 SER 4 HB3 SER 4 12.747 -17.107 -2.817 25 HG SER 4 HG SER 4 12.145 -17.940 -4.784 26 HA PRO 5 HA PRO 5 17.021 -18.149 -0.272 27 HB2 PRO 5 HB2 PRO 5 17.098 -15.592 0.702 28 HB3 PRO 5 HB3 PRO 5 17.874 -16.040 -0.842 29 HG2 PRO 5 HG2 PRO 5 15.129 -14.839 -0.427 30 HG3 PRO 5 HG3 PRO 5 16.417 -14.299 -1.552 31 HD2 PRO 5 HD2 PRO 5 14.341 -15.863 -2.346 32 HD3 PRO 5 HD3 PRO 5 15.980 -16.088 -3.027 33 H GLY 6 H GLY 6 13.730 -16.815 -0.054 34 HA2 GLY 6 HA2 GLY 6 12.169 -17.554 1.497 35 HA3 GLY 6 HA3 GLY 6 13.445 -17.879 2.684 36 H ASP 7 H ASP 7 12.798 -15.034 0.642 37 HA ASP 7 HA ASP 7 13.306 -13.100 2.733 38 HB2 ASP 7 HB2 ASP 7 12.281 -12.941 -0.131 39 HB3 ASP 7 HB3 ASP 7 12.475 -11.541 0.910 40 H SER 8 H SER 8 11.784 -13.603 4.390 41 HA SER 8 HA SER 8 9.035 -14.033 4.017 42 HB2 SER 8 HB2 SER 8 8.803 -13.281 6.408 43 HB3 SER 8 HB3 SER 8 9.899 -14.620 6.109 44 HG SER 8 HG SER 8 10.391 -12.472 7.432 45 H ARG 9 H ARG 9 10.715 -10.865 4.452 46 HA ARG 9 HA ARG 9 8.382 -9.286 4.645 47 HB2 ARG 9 HB2 ARG 9 10.955 -8.549 3.175 48 HB3 ARG 9 HB3 ARG 9 9.690 -7.421 3.618 49 HG2 ARG 9 HG2 ARG 9 11.363 -8.987 5.614 50 HG3 ARG 9 HG3 ARG 9 11.652 -7.327 5.093 51 HD2 ARG 9 HD2 ARG 9 9.372 -6.705 5.956 52 HD3 ARG 9 HD3 ARG 9 9.226 -8.334 6.630 53 HE ARG 9 HE ARG 9 10.801 -6.097 7.610 54 HH11 ARG 9 HH11 ARG 9 10.401 -9.655 7.879 55 HH12 ARG 9 HH12 ARG 9 11.723 -9.777 9.008 56 HH21 ARG 9 HH21 ARG 9 12.293 -6.345 9.315 57 HH22 ARG 9 HH22 ARG 9 12.485 -7.864 10.115 58 H ARG 10 H ARG 10 9.913 -10.599 1.671 59 HA ARG 10 HA ARG 10 8.345 -9.087 -0.166 60 HB2 ARG 10 HB2 ARG 10 9.451 -11.912 -0.482 61 HB3 ARG 10 HB3 ARG 10 8.829 -10.911 -1.784 62 HG2 ARG 10 HG2 ARG 10 11.193 -10.124 -0.036 63 HG3 ARG 10 HG3 ARG 10 11.364 -10.979 -1.567 64 HD2 ARG 10 HD2 ARG 10 10.140 -8.232 -1.170 65 HD3 ARG 10 HD3 ARG 10 11.771 -8.533 -1.759 66 HE ARG 10 HE ARG 10 9.244 -8.739 -3.162 67 HH11 ARG 10 HH11 ARG 10 12.739 -9.401 -3.391 68 HH12 ARG 10 HH12 ARG 10 12.678 -9.883 -5.055 69 HH21 ARG 10 HH21 ARG 10 9.134 -9.588 -5.252 70 HH22 ARG 10 HH22 ARG 10 10.536 -9.880 -6.204 71 H LEU 11 H LEU 11 7.666 -12.244 1.406 72 HA LEU 11 HA LEU 11 5.151 -12.631 0.085 73 HB2 LEU 11 HB2 LEU 11 6.359 -13.725 2.650 74 HB3 LEU 11 HB3 LEU 11 4.662 -13.954 2.288 75 HG LEU 11 HG LEU 11 5.335 -14.887 -0.002 76 HD11 LEU 11 HD11 LEU 11 7.712 -14.124 0.003 77 HD12 LEU 11 HD12 LEU 11 7.560 -15.856 -0.224 78 HD13 LEU 11 HD13 LEU 11 8.047 -15.194 1.369 79 HD21 LEU 11 HD21 LEU 11 6.088 -16.423 2.513 80 HD22 LEU 11 HD22 LEU 11 5.719 -17.136 0.918 81 HD23 LEU 11 HD23 LEU 11 4.468 -16.276 1.808 82 H SER 12 H SER 12 6.003 -11.023 3.212 83 HA SER 12 HA SER 12 3.366 -10.500 4.044 84 HB2 SER 12 HB2 SER 12 5.739 -8.679 4.498 85 HB3 SER 12 HB3 SER 12 4.381 -9.054 5.591 86 HG SER 12 HG SER 12 6.269 -10.034 6.200 87 H ILE 13 H ILE 13 5.631 -8.463 2.141 88 HA ILE 13 HA ILE 13 3.945 -6.284 1.659 89 HB ILE 13 HB ILE 13 6.238 -7.490 0.053 90 HG12 ILE 13 HG12 ILE 13 6.222 -4.948 1.738 91 HG13 ILE 13 HG13 ILE 13 6.551 -6.517 2.443 92 HG21 ILE 13 HG21 ILE 13 4.938 -6.136 -1.488 93 HG22 ILE 13 HG22 ILE 13 4.897 -4.779 -0.333 94 HG23 ILE 13 HG23 ILE 13 6.422 -5.293 -1.103 95 HD11 ILE 13 HD11 ILE 13 8.483 -6.835 0.914 96 HD12 ILE 13 HD12 ILE 13 8.193 -5.227 0.224 97 HD13 ILE 13 HD13 ILE 13 8.646 -5.393 1.930 98 H GLN 14 H GLN 14 4.364 -9.282 -0.284 99 HA GLN 14 HA GLN 14 2.462 -8.694 -2.318 100 HB2 GLN 14 HB2 GLN 14 3.326 -11.356 -1.122 101 HB3 GLN 14 HB3 GLN 14 2.208 -11.233 -2.473 102 HG2 GLN 14 HG2 GLN 14 3.879 -10.171 -3.865 103 HG3 GLN 14 HG3 GLN 14 5.042 -10.119 -2.547 104 HE21 GLN 14 HE21 GLN 14 5.029 -11.635 -5.289 105 HE22 GLN 14 HE22 GLN 14 5.443 -13.282 -4.765 106 H ARG 15 H ARG 15 1.960 -10.471 0.804 107 HA ARG 15 HA ARG 15 -0.802 -10.929 0.520 108 HB2 ARG 15 HB2 ARG 15 0.871 -10.462 3.034 109 HB3 ARG 15 HB3 ARG 15 -0.852 -10.799 3.079 110 HG2 ARG 15 HG2 ARG 15 -0.462 -12.920 1.829 111 HG3 ARG 15 HG3 ARG 15 1.275 -12.624 1.935 112 HD2 ARG 15 HD2 ARG 15 0.632 -14.169 3.698 113 HD3 ARG 15 HD3 ARG 15 1.152 -12.646 4.409 114 HE ARG 15 HE ARG 15 -0.807 -12.622 5.491 115 HH11 ARG 15 HH11 ARG 15 -1.415 -14.497 2.534 116 HH12 ARG 15 HH12 ARG 15 -3.089 -14.790 2.935 117 HH21 ARG 15 HH21 ARG 15 -2.981 -13.165 6.050 118 HH22 ARG 15 HH22 ARG 15 -3.861 -14.260 5.056 119 H ALA 16 H ALA 16 0.843 -8.082 1.981 120 HA ALA 16 HA ALA 16 -1.530 -6.727 2.668 121 HB1 ALA 16 HB1 ALA 16 -0.129 -4.674 2.722 122 HB2 ALA 16 HB2 ALA 16 0.658 -6.038 3.546 123 HB3 ALA 16 HB3 ALA 16 1.189 -5.551 1.919 124 H ILE 17 H ILE 17 0.517 -6.321 -0.296 125 HA ILE 17 HA ILE 17 -1.083 -4.460 -1.593 126 HB ILE 17 HB ILE 17 0.704 -6.645 -2.694 127 HG12 ILE 17 HG12 ILE 17 1.198 -3.633 -2.558 128 HG13 ILE 17 HG13 ILE 17 1.544 -4.686 -1.186 129 HG21 ILE 17 HG21 ILE 17 -0.689 -6.071 -4.586 130 HG22 ILE 17 HG22 ILE 17 -0.644 -4.358 -4.174 131 HG23 ILE 17 HG23 ILE 17 0.826 -5.154 -4.780 132 HD11 ILE 17 HD11 ILE 17 3.000 -6.091 -2.605 133 HD12 ILE 17 HD12 ILE 17 2.829 -4.904 -3.917 134 HD13 ILE 17 HD13 ILE 17 3.547 -4.410 -2.371 135 H GLN 18 H GLN 18 -1.346 -8.021 -1.973 136 HA GLN 18 HA GLN 18 -3.472 -8.034 -3.828 137 HB2 GLN 18 HB2 GLN 18 -2.865 -9.964 -1.555 138 HB3 GLN 18 HB3 GLN 18 -4.001 -10.296 -2.863 139 HG2 GLN 18 HG2 GLN 18 -2.259 -10.376 -4.506 140 HG3 GLN 18 HG3 GLN 18 -1.059 -9.703 -3.411 141 HE21 GLN 18 HE21 GLN 18 -2.867 -12.577 -4.253 142 HE22 GLN 18 HE22 GLN 18 -2.282 -13.609 -2.932 143 H SER 19 H SER 19 -3.627 -8.107 -0.286 144 HA SER 19 HA SER 19 -6.449 -8.169 0.054 145 HB2 SER 19 HB2 SER 19 -4.662 -8.895 1.627 146 HB3 SER 19 HB3 SER 19 -4.128 -7.226 1.794 147 HG SER 19 HG SER 19 -5.271 -7.558 3.477 148 H LEU 20 H LEU 20 -4.095 -5.530 -0.164 149 HA LEU 20 HA LEU 20 -5.707 -3.355 0.701 150 HB2 LEU 20 HB2 LEU 20 -3.295 -3.551 0.773 151 HB3 LEU 20 HB3 LEU 20 -3.192 -3.530 -0.955 152 HG LEU 20 HG LEU 20 -4.677 -1.185 0.113 153 HD11 LEU 20 HD11 LEU 20 -1.947 -1.758 1.198 154 HD12 LEU 20 HD12 LEU 20 -3.457 -1.359 2.067 155 HD13 LEU 20 HD13 LEU 20 -2.643 -0.134 1.103 156 HD21 LEU 20 HD21 LEU 20 -3.581 -1.592 -2.152 157 HD22 LEU 20 HD22 LEU 20 -2.015 -1.539 -1.296 158 HD23 LEU 20 HD23 LEU 20 -3.047 -0.093 -1.391 159 H VAL 21 H VAL 21 -4.776 -4.501 -2.669 160 HA VAL 21 HA VAL 21 -6.461 -2.471 -3.848 161 HB VAL 21 HB VAL 21 -6.305 -3.695 -5.957 162 HG11 VAL 21 HG11 VAL 21 -3.940 -3.272 -6.275 163 HG12 VAL 21 HG12 VAL 21 -4.695 -1.992 -5.350 164 HG13 VAL 21 HG13 VAL 21 -3.684 -3.214 -4.514 165 HG21 VAL 21 HG21 VAL 21 -6.161 -6.000 -5.318 166 HG22 VAL 21 HG22 VAL 21 -4.692 -5.564 -6.188 167 HG23 VAL 21 HG23 VAL 21 -4.652 -5.736 -4.423 168 H HIS 22 H HIS 22 -6.920 -5.893 -2.929 169 HA HIS 22 HA HIS 22 -9.475 -6.316 -3.973 170 HB2 HIS 22 HB2 HIS 22 -8.399 -8.206 -3.094 171 HB3 HIS 22 HB3 HIS 22 -7.975 -7.392 -1.586 172 HD1 HIS 22 HD1 HIS 22 -11.051 -9.058 -3.205 173 HD2 HIS 22 HD2 HIS 22 -9.662 -7.385 0.419 174 HE1 HIS 22 HE1 HIS 22 -12.839 -9.487 -1.473 175 H ALA 23 H ALA 23 -8.635 -5.040 -0.676 176 HA ALA 23 HA ALA 23 -11.265 -4.621 0.187 177 HB1 ALA 23 HB1 ALA 23 -10.211 -3.012 1.785 178 HB2 ALA 23 HB2 ALA 23 -9.344 -4.557 1.675 179 HB3 ALA 23 HB3 ALA 23 -8.712 -3.108 0.845 180 H ALA 24 H ALA 24 -9.271 -2.615 -1.946 181 HA ALA 24 HA ALA 24 -10.759 -0.203 -1.708 182 HB1 ALA 24 HB1 ALA 24 -9.538 0.510 -3.660 183 HB2 ALA 24 HB2 ALA 24 -8.427 -0.492 -2.695 184 HB3 ALA 24 HB3 ALA 24 -9.205 -1.162 -4.132 185 H GLN 25 H GLN 25 -11.351 -3.141 -3.559 186 HA GLN 25 HA GLN 25 -13.768 -1.930 -4.812 187 HB2 GLN 25 HB2 GLN 25 -13.411 -3.513 -6.644 188 HB3 GLN 25 HB3 GLN 25 -12.033 -2.426 -6.442 189 HG2 GLN 25 HG2 GLN 25 -10.744 -4.190 -5.337 190 HG3 GLN 25 HG3 GLN 25 -12.138 -5.264 -5.311 191 HE21 GLN 25 HE21 GLN 25 -12.263 -6.729 -6.993 192 HE22 GLN 25 HE22 GLN 25 -11.379 -6.587 -8.499 193 H CYS 26 H CYS 26 -13.069 -3.859 -2.298 194 HA CYS 26 HA CYS 26 -14.764 -6.172 -2.711 195 HB2 CYS 26 HB2 CYS 26 -12.854 -6.252 -1.274 196 HB3 CYS 26 HB3 CYS 26 -13.469 -4.913 -0.301 197 H ARG 27 H ARG 27 -16.601 -5.126 -3.533 198 HA ARG 27 HA ARG 27 -18.282 -3.343 -1.857 199 HB2 ARG 27 HB2 ARG 27 -18.588 -4.478 -4.670 200 HB3 ARG 27 HB3 ARG 27 -19.746 -3.381 -3.915 201 HG2 ARG 27 HG2 ARG 27 -18.137 -1.579 -3.841 202 HG3 ARG 27 HG3 ARG 27 -16.810 -2.650 -4.291 203 HD2 ARG 27 HD2 ARG 27 -18.155 -3.119 -6.464 204 HD3 ARG 27 HD3 ARG 27 -19.068 -1.667 -6.048 205 HE ARG 27 HE ARG 27 -16.402 -1.849 -7.116 206 HH11 ARG 27 HH11 ARG 27 -18.535 0.326 -5.242 207 HH12 ARG 27 HH12 ARG 27 -17.495 1.666 -5.406 208 HH21 ARG 27 HH21 ARG 27 -15.138 -0.109 -7.430 209 HH22 ARG 27 HH22 ARG 27 -15.389 1.419 -6.629 210 H ASN 28 H ASN 28 -17.918 -6.724 -2.594 211 HA ASN 28 HA ASN 28 -20.543 -7.638 -2.237 212 HB2 ASN 28 HB2 ASN 28 -17.962 -9.079 -1.523 213 HB3 ASN 28 HB3 ASN 28 -19.526 -9.824 -1.844 214 HD21 ASN 28 HD21 ASN 28 -19.918 -10.472 -3.996 215 HD22 ASN 28 HD22 ASN 28 -18.901 -9.993 -5.328 216 H ALA 29 H ALA 29 -21.547 -8.641 -0.411 217 HA ALA 29 HA ALA 29 -20.836 -7.414 2.185 218 HB1 ALA 29 HB1 ALA 29 -23.122 -7.100 1.353 219 HB2 ALA 29 HB2 ALA 29 -23.333 -8.867 1.238 220 HB3 ALA 29 HB3 ALA 29 -23.105 -8.100 2.815 221 H ASN 30 H ASN 30 -20.950 -10.570 0.544 222 HA ASN 30 HA ASN 30 -20.932 -12.093 2.980 223 HB2 ASN 30 HB2 ASN 30 -21.625 -12.938 0.685 224 HB3 ASN 30 HB3 ASN 30 -19.904 -13.044 0.281 225 HD21 ASN 30 HD21 ASN 30 -20.202 -15.522 0.070 226 HD22 ASN 30 HD22 ASN 30 -20.360 -16.410 1.567 227 H CYS 31 H CYS 31 -18.417 -10.442 1.353 228 HA CYS 31 HA CYS 31 -16.157 -12.018 2.037 229 HB2 CYS 31 HB2 CYS 31 -16.426 -10.096 0.380 230 HB3 CYS 31 HB3 CYS 31 -16.220 -8.988 1.733 231 H SER 32 H SER 32 -15.324 -12.443 4.021 232 HA SER 32 HA SER 32 -15.286 -10.354 6.098 233 HB2 SER 32 HB2 SER 32 -16.015 -11.986 7.861 234 HB3 SER 32 HB3 SER 32 -17.277 -11.419 6.767 235 HG SER 32 HG SER 32 -15.952 -13.917 6.769 236 H LEU 33 H LEU 33 -13.167 -10.087 6.218 237 HA LEU 33 HA LEU 33 -11.503 -12.308 7.128 238 HB2 LEU 33 HB2 LEU 33 -10.897 -10.609 4.686 239 HB3 LEU 33 HB3 LEU 33 -9.623 -11.373 5.628 240 HG LEU 33 HG LEU 33 -11.861 -12.870 4.199 241 HD11 LEU 33 HD11 LEU 33 -8.923 -12.430 3.492 242 HD12 LEU 33 HD12 LEU 33 -10.340 -11.759 2.650 243 HD13 LEU 33 HD13 LEU 33 -10.051 -13.496 2.620 244 HD21 LEU 33 HD21 LEU 33 -9.334 -13.888 5.596 245 HD22 LEU 33 HD22 LEU 33 -10.423 -14.867 4.590 246 HD23 LEU 33 HD23 LEU 33 -11.014 -14.193 6.102 247 HA PRO 34 HA PRO 34 -10.542 -9.030 9.938 248 HB2 PRO 34 HB2 PRO 34 -7.886 -9.691 10.609 249 HB3 PRO 34 HB3 PRO 34 -9.349 -10.377 11.327 250 HG2 PRO 34 HG2 PRO 34 -7.661 -11.465 9.067 251 HG3 PRO 34 HG3 PRO 34 -8.358 -12.372 10.467 252 HD2 PRO 34 HD2 PRO 34 -9.523 -12.462 8.056 253 HD3 PRO 34 HD3 PRO 34 -10.538 -12.298 9.516 254 H SER 35 H SER 35 -8.041 -9.779 7.461 255 HA SER 35 HA SER 35 -6.753 -7.251 7.544 256 HB2 SER 35 HB2 SER 35 -6.017 -8.183 5.213 257 HB3 SER 35 HB3 SER 35 -5.426 -8.876 6.711 258 HG SER 35 HG SER 35 -6.126 -10.439 5.151 259 H CYS 36 H CYS 36 -9.335 -8.645 5.481 260 HA CYS 36 HA CYS 36 -9.639 -6.555 3.662 261 HB2 CYS 36 HB2 CYS 36 -10.738 -8.709 3.386 262 HB3 CYS 36 HB3 CYS 36 -11.692 -8.466 4.864 263 H GLN 37 H GLN 37 -11.389 -6.976 6.784 264 HA GLN 37 HA GLN 37 -12.827 -4.541 6.601 265 HB2 GLN 37 HB2 GLN 37 -11.906 -5.905 9.153 266 HB3 GLN 37 HB3 GLN 37 -13.227 -4.733 8.990 267 HG2 GLN 37 HG2 GLN 37 -13.121 -7.566 7.933 268 HG3 GLN 37 HG3 GLN 37 -14.125 -6.858 9.172 269 HE21 GLN 37 HE21 GLN 37 -13.668 -7.240 5.637 270 HE22 GLN 37 HE22 GLN 37 -15.278 -6.704 5.238 271 H LYS 38 H LYS 38 -9.704 -5.125 8.325 272 HA LYS 38 HA LYS 38 -9.556 -2.314 9.054 273 HB2 LYS 38 HB2 LYS 38 -7.339 -2.568 9.740 274 HB3 LYS 38 HB3 LYS 38 -8.210 -4.020 10.228 275 HG2 LYS 38 HG2 LYS 38 -7.224 -5.252 8.331 276 HG3 LYS 38 HG3 LYS 38 -6.343 -3.808 7.802 277 HD2 LYS 38 HD2 LYS 38 -6.062 -5.017 10.570 278 HD3 LYS 38 HD3 LYS 38 -5.051 -5.538 9.194 279 HE2 LYS 38 HE2 LYS 38 -3.933 -3.500 9.020 280 HE3 LYS 38 HE3 LYS 38 -5.231 -2.574 9.770 281 HZ1 LYS 38 HZ1 LYS 38 -4.590 -3.348 11.893 282 HZ2 LYS 38 HZ2 LYS 38 -3.262 -2.780 11.140 283 HZ3 LYS 38 HZ3 LYS 38 -3.455 -4.404 11.264 284 H MET 39 H MET 39 -8.466 -4.068 6.100 285 HA MET 39 HA MET 39 -7.052 -1.865 5.017 286 HB2 MET 39 HB2 MET 39 -8.281 -4.349 3.781 287 HB3 MET 39 HB3 MET 39 -7.536 -3.081 2.808 288 HG2 MET 39 HG2 MET 39 -6.071 -4.580 4.996 289 HG3 MET 39 HG3 MET 39 -6.002 -4.926 3.263 290 HE1 MET 39 HE1 MET 39 -3.037 -4.477 4.227 291 HE2 MET 39 HE2 MET 39 -3.752 -4.702 2.606 292 HE3 MET 39 HE3 MET 39 -2.641 -3.357 2.882 293 H LYS 40 H LYS 40 -10.526 -2.727 5.051 294 HA LYS 40 HA LYS 40 -11.342 -0.887 3.069 295 HB2 LYS 40 HB2 LYS 40 -12.761 -2.163 5.396 296 HB3 LYS 40 HB3 LYS 40 -13.396 -0.624 4.885 297 HG2 LYS 40 HG2 LYS 40 -14.665 -2.118 3.696 298 HG3 LYS 40 HG3 LYS 40 -13.495 -1.555 2.505 299 HD2 LYS 40 HD2 LYS 40 -12.165 -3.604 2.822 300 HD3 LYS 40 HD3 LYS 40 -13.264 -4.168 4.092 301 HE2 LYS 40 HE2 LYS 40 -14.233 -3.522 1.286 302 HE3 LYS 40 HE3 LYS 40 -13.539 -5.099 1.695 303 HZ1 LYS 40 HZ1 LYS 40 -16.021 -4.835 1.839 304 HZ2 LYS 40 HZ2 LYS 40 -15.747 -4.101 3.325 305 HZ3 LYS 40 HZ3 LYS 40 -15.274 -5.623 3.046 306 H ARG 41 H ARG 41 -10.402 -0.289 6.498 307 HA ARG 41 HA ARG 41 -11.336 2.389 6.604 308 HB2 ARG 41 HB2 ARG 41 -8.904 1.180 8.008 309 HB3 ARG 41 HB3 ARG 41 -9.675 2.696 8.422 310 HG2 ARG 41 HG2 ARG 41 -11.100 -0.004 8.534 311 HG3 ARG 41 HG3 ARG 41 -10.334 0.794 9.909 312 HD2 ARG 41 HD2 ARG 41 -11.813 2.780 9.598 313 HD3 ARG 41 HD3 ARG 41 -12.568 1.996 8.212 314 HE ARG 41 HE ARG 41 -13.831 0.700 9.534 315 HH11 ARG 41 HH11 ARG 41 -11.356 2.218 11.580 316 HH12 ARG 41 HH12 ARG 41 -12.087 1.799 13.069 317 HH21 ARG 41 HH21 ARG 41 -14.834 0.106 11.393 318 HH22 ARG 41 HH22 ARG 41 -14.207 0.516 12.959 319 H VAL 42 H VAL 42 -8.069 1.243 5.555 320 HA VAL 42 HA VAL 42 -7.185 3.918 5.110 321 HB VAL 42 HB VAL 42 -5.639 2.274 5.453 322 HG11 VAL 42 HG11 VAL 42 -5.026 0.461 3.776 323 HG12 VAL 42 HG12 VAL 42 -6.476 0.202 4.728 324 HG13 VAL 42 HG13 VAL 42 -6.593 0.741 3.021 325 HG21 VAL 42 HG21 VAL 42 -5.236 2.975 2.543 326 HG22 VAL 42 HG22 VAL 42 -5.026 4.122 3.871 327 HG23 VAL 42 HG23 VAL 42 -3.984 2.695 3.785 328 H VAL 43 H VAL 43 -8.735 1.577 2.863 329 HA VAL 43 HA VAL 43 -8.515 3.461 0.703 330 HB VAL 43 HB VAL 43 -10.135 1.936 -0.489 331 HG11 VAL 43 HG11 VAL 43 -7.700 1.489 -0.531 332 HG12 VAL 43 HG12 VAL 43 -7.821 0.560 0.977 333 HG13 VAL 43 HG13 VAL 43 -8.599 -0.032 -0.482 334 HG21 VAL 43 HG21 VAL 43 -10.118 0.337 2.029 335 HG22 VAL 43 HG22 VAL 43 -11.518 1.227 1.397 336 HG23 VAL 43 HG23 VAL 43 -10.851 -0.140 0.504 337 H GLN 44 H GLN 44 -11.084 2.875 3.131 338 HA GLN 44 HA GLN 44 -13.110 4.514 2.101 339 HB2 GLN 44 HB2 GLN 44 -12.164 3.796 4.900 340 HB3 GLN 44 HB3 GLN 44 -13.420 4.983 4.704 341 HG2 GLN 44 HG2 GLN 44 -14.906 3.401 3.709 342 HG3 GLN 44 HG3 GLN 44 -13.692 2.142 3.679 343 HE21 GLN 44 HE21 GLN 44 -15.602 1.022 5.070 344 HE22 GLN 44 HE22 GLN 44 -15.568 1.434 6.766 345 H HIS 45 H HIS 45 -10.392 5.248 4.288 346 HA HIS 45 HA HIS 45 -10.880 8.003 4.706 347 HB2 HIS 45 HB2 HIS 45 -9.535 6.664 6.184 348 HB3 HIS 45 HB3 HIS 45 -8.439 6.201 4.886 349 HD1 HIS 45 HD1 HIS 45 -9.183 9.199 7.175 350 HD2 HIS 45 HD2 HIS 45 -6.464 7.802 4.257 351 HE1 HIS 45 HE1 HIS 45 -7.188 10.769 7.215 352 H THR 46 H THR 46 -8.482 6.398 2.490 353 HA THR 46 HA THR 46 -7.761 8.791 1.255 354 HB THR 46 HB THR 46 -6.717 7.388 -0.482 355 HG1 THR 46 HG1 THR 46 -7.747 5.248 1.060 356 HG21 THR 46 HG21 THR 46 -5.073 6.483 1.006 357 HG22 THR 46 HG22 THR 46 -6.254 6.231 2.288 358 HG23 THR 46 HG23 THR 46 -5.727 7.880 1.846 359 H LYS 47 H LYS 47 -10.515 6.765 0.392 360 HA LYS 47 HA LYS 47 -10.963 7.757 -2.193 361 HB2 LYS 47 HB2 LYS 47 -12.816 6.748 -0.011 362 HB3 LYS 47 HB3 LYS 47 -13.503 7.400 -1.503 363 HG2 LYS 47 HG2 LYS 47 -12.492 5.787 -2.861 364 HG3 LYS 47 HG3 LYS 47 -11.319 5.319 -1.633 365 HD2 LYS 47 HD2 LYS 47 -13.229 4.352 -0.275 366 HD3 LYS 47 HD3 LYS 47 -14.282 4.631 -1.688 367 HE2 LYS 47 HE2 LYS 47 -12.665 3.294 -3.077 368 HE3 LYS 47 HE3 LYS 47 -11.694 2.996 -1.629 369 HZ1 LYS 47 HZ1 LYS 47 -14.440 2.055 -2.159 370 HZ2 LYS 47 HZ2 LYS 47 -13.672 1.806 -0.725 371 HZ3 LYS 47 HZ3 LYS 47 -13.130 1.136 -2.169 372 H GLY 48 H GLY 48 -11.645 9.304 0.915 373 HA2 GLY 48 HA2 GLY 48 -12.449 11.815 -0.475 374 HA3 GLY 48 HA3 GLY 48 -13.089 11.274 1.080 375 H CYS 49 H CYS 49 -9.634 10.861 0.290 376 HA CYS 49 HA CYS 49 -8.928 12.144 2.670 377 HB2 CYS 49 HB2 CYS 49 -7.528 10.751 0.553 378 HB3 CYS 49 HB3 CYS 49 -6.613 12.153 1.023 379 H LYS 50 H LYS 50 -8.937 14.084 3.236 380 HA LYS 50 HA LYS 50 -8.665 16.257 1.197 381 HB2 LYS 50 HB2 LYS 50 -10.840 16.036 2.352 382 HB3 LYS 50 HB3 LYS 50 -10.036 16.092 3.920 383 HG2 LYS 50 HG2 LYS 50 -11.078 18.193 3.507 384 HG3 LYS 50 HG3 LYS 50 -9.337 18.439 3.488 385 HD2 LYS 50 HD2 LYS 50 -9.429 18.329 0.945 386 HD3 LYS 50 HD3 LYS 50 -11.202 18.204 1.077 387 HE2 LYS 50 HE2 LYS 50 -11.131 20.356 2.441 388 HE3 LYS 50 HE3 LYS 50 -9.400 20.463 2.068 389 HZ1 LYS 50 HZ1 LYS 50 -10.502 21.730 0.494 390 HZ2 LYS 50 HZ2 LYS 50 -11.666 20.586 0.199 391 HZ3 LYS 50 HZ3 LYS 50 -10.114 20.362 -0.328 392 H ARG 51 H ARG 51 -7.147 14.955 4.112 393 HA ARG 51 HA ARG 51 -5.850 17.394 4.847 394 HB2 ARG 51 HB2 ARG 51 -6.211 15.451 6.342 395 HB3 ARG 51 HB3 ARG 51 -4.994 14.541 5.457 396 HG2 ARG 51 HG2 ARG 51 -3.307 16.350 6.058 397 HG3 ARG 51 HG3 ARG 51 -4.584 17.142 6.996 398 HD2 ARG 51 HD2 ARG 51 -3.461 14.364 7.505 399 HD3 ARG 51 HD3 ARG 51 -3.038 15.812 8.409 400 HE ARG 51 HE ARG 51 -5.450 14.196 8.600 401 HH11 ARG 51 HH11 ARG 51 -3.998 17.327 9.568 402 HH12 ARG 51 HH12 ARG 51 -5.082 17.515 10.895 403 HH21 ARG 51 HH21 ARG 51 -6.827 14.505 10.381 404 HH22 ARG 51 HH22 ARG 51 -6.869 15.990 11.219 405 H LYS 52 H LYS 52 -5.078 14.969 2.442 406 HA LYS 52 HA LYS 52 -2.388 15.554 1.925 407 HB2 LYS 52 HB2 LYS 52 -2.750 14.581 -0.272 408 HB3 LYS 52 HB3 LYS 52 -3.686 13.673 0.906 409 HG2 LYS 52 HG2 LYS 52 -5.744 14.972 0.214 410 HG3 LYS 52 HG3 LYS 52 -4.758 15.797 -1.010 411 HD2 LYS 52 HD2 LYS 52 -4.248 13.555 -2.036 412 HD3 LYS 52 HD3 LYS 52 -5.353 12.819 -0.864 413 HE2 LYS 52 HE2 LYS 52 -6.443 13.121 -3.020 414 HE3 LYS 52 HE3 LYS 52 -7.244 14.082 -1.782 415 HZ1 LYS 52 HZ1 LYS 52 -5.288 15.170 -3.726 416 HZ2 LYS 52 HZ2 LYS 52 -6.178 16.052 -2.660 417 HZ3 LYS 52 HZ3 LYS 52 -6.903 15.262 -3.897 418 H THR 53 H THR 53 -5.136 17.619 1.245 419 HA THR 53 HA THR 53 -3.594 19.231 -0.689 420 HB THR 53 HB THR 53 -6.434 19.554 0.361 421 HG1 THR 53 HG1 THR 53 -5.701 18.366 -2.107 422 HG21 THR 53 HG21 THR 53 -6.790 20.830 -1.709 423 HG22 THR 53 HG22 THR 53 -5.085 20.610 -2.168 424 HG23 THR 53 HG23 THR 53 -5.510 21.567 -0.738 425 H ASN 54 H ASN 54 -5.393 19.656 2.442 426 HA ASN 54 HA ASN 54 -4.368 22.248 2.947 427 HB2 ASN 54 HB2 ASN 54 -5.541 20.137 4.786 428 HB3 ASN 54 HB3 ASN 54 -5.043 21.719 5.360 429 HD21 ASN 54 HD21 ASN 54 -5.942 23.612 3.575 430 HD22 ASN 54 HD22 ASN 54 -7.680 23.457 3.517 431 H GLY 55 H GLY 55 -2.795 19.144 3.443 432 HA2 GLY 55 HA2 GLY 55 -0.309 20.399 4.130 433 HA3 GLY 55 HA3 GLY 55 -1.071 19.581 5.508 434 H GLY 56 H GLY 56 -0.115 17.597 5.732 435 HA2 GLY 56 HA2 GLY 56 0.010 15.812 3.337 436 HA3 GLY 56 HA3 GLY 56 1.439 16.124 4.318 437 H CYS 57 H CYS 57 -1.309 14.222 3.942 438 HA CYS 57 HA CYS 57 -1.649 13.226 6.646 439 HB2 CYS 57 HB2 CYS 57 -3.420 13.365 4.830 440 HB3 CYS 57 HB3 CYS 57 -2.495 12.172 3.917 441 HA PRO 58 HA PRO 58 1.664 10.189 6.057 442 HB2 PRO 58 HB2 PRO 58 1.360 8.623 8.270 443 HB3 PRO 58 HB3 PRO 58 2.011 10.287 8.334 444 HG2 PRO 58 HG2 PRO 58 -0.825 9.366 8.896 445 HG3 PRO 58 HG3 PRO 58 0.196 10.490 9.846 446 HD2 PRO 58 HD2 PRO 58 -1.688 11.364 8.053 447 HD3 PRO 58 HD3 PRO 58 -0.162 12.256 8.338 448 H ILE 59 H ILE 59 -1.755 9.237 6.605 449 HA ILE 59 HA ILE 59 -1.415 6.490 5.877 450 HB ILE 59 HB ILE 59 -3.913 8.222 5.670 451 HG12 ILE 59 HG12 ILE 59 -2.747 6.552 7.930 452 HG13 ILE 59 HG13 ILE 59 -3.119 8.272 7.943 453 HG21 ILE 59 HG21 ILE 59 -4.046 6.139 4.322 454 HG22 ILE 59 HG22 ILE 59 -3.617 5.187 5.762 455 HG23 ILE 59 HG23 ILE 59 -5.149 6.085 5.686 456 HD11 ILE 59 HD11 ILE 59 -4.761 7.131 9.247 457 HD12 ILE 59 HD12 ILE 59 -5.562 7.703 7.767 458 HD13 ILE 59 HD13 ILE 59 -5.126 5.987 7.957 459 H CYS 60 H CYS 60 -2.262 9.422 3.956 460 HA CYS 60 HA CYS 60 -2.692 8.187 1.499 461 HB2 CYS 60 HB2 CYS 60 -1.404 10.906 2.046 462 HB3 CYS 60 HB3 CYS 60 -2.152 10.386 0.535 463 H LYS 61 H LYS 61 0.410 9.499 2.759 464 HA LYS 61 HA LYS 61 1.904 8.733 0.458 465 HB2 LYS 61 HB2 LYS 61 3.909 9.190 1.658 466 HB3 LYS 61 HB3 LYS 61 2.705 10.407 2.073 467 HG2 LYS 61 HG2 LYS 61 2.283 9.322 4.204 468 HG3 LYS 61 HG3 LYS 61 3.419 8.015 3.818 469 HD2 LYS 61 HD2 LYS 61 5.157 9.920 3.589 470 HD3 LYS 61 HD3 LYS 61 3.983 10.915 4.447 471 HE2 LYS 61 HE2 LYS 61 5.431 10.098 6.109 472 HE3 LYS 61 HE3 LYS 61 4.005 9.072 6.273 473 HZ1 LYS 61 HZ1 LYS 61 6.479 8.328 4.799 474 HZ2 LYS 61 HZ2 LYS 61 5.212 7.317 5.158 475 HZ3 LYS 61 HZ3 LYS 61 6.136 7.911 6.346 476 H GLN 62 H GLN 62 1.073 6.859 3.384 477 HA GLN 62 HA GLN 62 2.898 4.706 2.654 478 HB2 GLN 62 HB2 GLN 62 0.632 4.880 4.690 479 HB3 GLN 62 HB3 GLN 62 1.636 3.458 4.423 480 HG2 GLN 62 HG2 GLN 62 2.540 6.165 5.438 481 HG3 GLN 62 HG3 GLN 62 2.546 4.641 6.315 482 HE21 GLN 62 HE21 GLN 62 4.194 2.949 5.585 483 HE22 GLN 62 HE22 GLN 62 5.523 3.438 4.604 484 H LEU 63 H LEU 63 -0.603 5.325 2.180 485 HA LEU 63 HA LEU 63 -1.138 2.754 1.084 486 HB2 LEU 63 HB2 LEU 63 -2.949 4.371 1.643 487 HB3 LEU 63 HB3 LEU 63 -2.420 5.430 0.332 488 HG LEU 63 HG LEU 63 -2.962 3.675 -1.343 489 HD11 LEU 63 HD11 LEU 63 -3.737 2.046 1.107 490 HD12 LEU 63 HD12 LEU 63 -2.568 1.659 -0.175 491 HD13 LEU 63 HD13 LEU 63 -4.298 1.657 -0.531 492 HD21 LEU 63 HD21 LEU 63 -5.266 4.170 0.571 493 HD22 LEU 63 HD22 LEU 63 -5.421 3.637 -1.112 494 HD23 LEU 63 HD23 LEU 63 -4.751 5.225 -0.757 495 H ILE 64 H ILE 64 -0.048 5.770 -0.407 496 HA ILE 64 HA ILE 64 0.198 4.863 -3.061 497 HB ILE 64 HB ILE 64 1.276 7.175 -1.454 498 HG12 ILE 64 HG12 ILE 64 -0.578 6.963 -3.886 499 HG13 ILE 64 HG13 ILE 64 -1.095 6.922 -2.192 500 HG21 ILE 64 HG21 ILE 64 2.008 6.545 -4.319 501 HG22 ILE 64 HG22 ILE 64 2.111 8.177 -3.606 502 HG23 ILE 64 HG23 ILE 64 3.075 6.867 -2.937 503 HD11 ILE 64 HD11 ILE 64 -0.200 9.180 -1.825 504 HD12 ILE 64 HD12 ILE 64 0.104 9.298 -3.586 505 HD13 ILE 64 HD13 ILE 64 -1.545 9.059 -2.971 506 H ALA 65 H ALA 65 2.418 4.525 -0.311 507 HA ALA 65 HA ALA 65 4.771 3.903 -1.760 508 HB1 ALA 65 HB1 ALA 65 3.965 2.854 1.003 509 HB2 ALA 65 HB2 ALA 65 5.592 2.958 0.334 510 HB3 ALA 65 HB3 ALA 65 4.698 4.443 0.689 511 H LEU 66 H LEU 66 2.214 1.765 -0.421 512 HA LEU 66 HA LEU 66 3.381 -0.660 -1.429 513 HB2 LEU 66 HB2 LEU 66 0.616 0.060 -0.410 514 HB3 LEU 66 HB3 LEU 66 0.951 -1.540 -1.062 515 HG LEU 66 HG LEU 66 2.494 -0.313 1.246 516 HD11 LEU 66 HD11 LEU 66 1.153 -1.733 2.704 517 HD12 LEU 66 HD12 LEU 66 0.274 -2.393 1.302 518 HD13 LEU 66 HD13 LEU 66 0.106 -0.677 1.743 519 HD21 LEU 66 HD21 LEU 66 3.091 -2.734 1.700 520 HD22 LEU 66 HD22 LEU 66 3.803 -2.104 0.201 521 HD23 LEU 66 HD23 LEU 66 2.367 -3.159 0.153 522 H ALA 67 H ALA 67 0.628 1.421 -2.432 523 HA ALA 67 HA ALA 67 -0.424 0.071 -4.578 524 HB1 ALA 67 HB1 ALA 67 -1.513 1.977 -3.602 525 HB2 ALA 67 HB2 ALA 67 -0.138 3.024 -3.995 526 HB3 ALA 67 HB3 ALA 67 -1.168 2.422 -5.283 527 H ALA 68 H ALA 68 2.546 1.918 -4.555 528 HA ALA 68 HA ALA 68 2.847 2.382 -7.314 529 HB1 ALA 68 HB1 ALA 68 4.951 1.805 -5.189 530 HB2 ALA 68 HB2 ALA 68 5.253 2.604 -6.742 531 HB3 ALA 68 HB3 ALA 68 4.234 3.405 -5.533 532 H TYR 69 H TYR 69 3.493 -0.588 -5.427 533 HA TYR 69 HA TYR 69 4.909 -1.859 -7.633 534 HB2 TYR 69 HB2 TYR 69 3.651 -3.048 -5.144 535 HB3 TYR 69 HB3 TYR 69 4.721 -3.897 -6.255 536 HD1 TYR 69 HD1 TYR 69 6.393 -0.881 -6.306 537 HD2 TYR 69 HD2 TYR 69 5.309 -4.000 -3.520 538 HE1 TYR 69 HE1 TYR 69 8.256 -0.221 -4.888 539 HE2 TYR 69 HE2 TYR 69 7.256 -3.321 -2.057 540 HH TYR 69 HH TYR 69 9.538 -0.764 -3.036 541 H HIS 70 H HIS 70 1.501 -1.779 -6.509 542 HA HIS 70 HA HIS 70 0.741 -3.925 -8.314 543 HB2 HIS 70 HB2 HIS 70 -0.677 -3.651 -6.479 544 HB3 HIS 70 HB3 HIS 70 -0.721 -1.902 -6.638 545 HD1 HIS 70 HD1 HIS 70 -2.326 -5.014 -8.413 546 HD2 HIS 70 HD2 HIS 70 -2.394 -0.824 -8.188 547 HE1 HIS 70 HE1 HIS 70 -4.413 -4.268 -9.602 548 H ALA 71 H ALA 71 1.001 -0.339 -8.587 549 HA ALA 71 HA ALA 71 -0.383 -0.095 -11.015 550 HB1 ALA 71 HB1 ALA 71 0.761 2.041 -11.238 551 HB2 ALA 71 HB2 ALA 71 0.276 1.775 -9.552 552 HB3 ALA 71 HB3 ALA 71 1.983 1.554 -10.048 553 H LYS 72 H LYS 72 2.694 -1.516 -10.575 554 HA LYS 72 HA LYS 72 3.279 -1.396 -13.498 555 HB2 LYS 72 HB2 LYS 72 5.490 -2.259 -12.954 556 HB3 LYS 72 HB3 LYS 72 5.150 -0.737 -12.135 557 HG2 LYS 72 HG2 LYS 72 4.841 -1.812 -10.023 558 HG3 LYS 72 HG3 LYS 72 4.746 -3.419 -10.762 559 HD2 LYS 72 HD2 LYS 72 7.019 -3.405 -11.354 560 HD3 LYS 72 HD3 LYS 72 7.252 -1.705 -10.878 561 HE2 LYS 72 HE2 LYS 72 6.885 -2.239 -8.551 562 HE3 LYS 72 HE3 LYS 72 6.366 -3.890 -8.953 563 HZ1 LYS 72 HZ1 LYS 72 8.653 -3.814 -8.148 564 HZ2 LYS 72 HZ2 LYS 72 9.100 -2.836 -9.383 565 HZ3 LYS 72 HZ3 LYS 72 8.597 -4.359 -9.712 566 H HIS 73 H HIS 73 1.573 -3.422 -11.410 567 HA HIS 73 HA HIS 73 2.114 -5.780 -13.133 568 HB2 HIS 73 HB2 HIS 73 1.727 -5.728 -10.121 569 HB3 HIS 73 HB3 HIS 73 1.781 -7.178 -11.096 570 HD1 HIS 73 HD1 HIS 73 3.846 -6.736 -8.741 571 HD2 HIS 73 HD2 HIS 73 4.503 -6.016 -12.843 572 HE1 HIS 73 HE1 HIS 73 6.349 -6.789 -9.089 573 H CYS 74 H CYS 74 -0.142 -3.551 -12.798 574 HA CYS 74 HA CYS 74 -2.466 -5.188 -12.128 575 HB2 CYS 74 HB2 CYS 74 -2.102 -2.672 -11.749 576 HB3 CYS 74 HB3 CYS 74 -2.529 -2.454 -13.460 577 H GLN 75 H GLN 75 -4.309 -4.904 -13.861 578 HA GLN 75 HA GLN 75 -3.751 -6.739 -15.988 579 HB2 GLN 75 HB2 GLN 75 -6.083 -4.772 -15.746 580 HB3 GLN 75 HB3 GLN 75 -5.984 -6.093 -16.895 581 HG2 GLN 75 HG2 GLN 75 -6.088 -6.412 -13.866 582 HG3 GLN 75 HG3 GLN 75 -7.439 -6.623 -14.978 583 HE21 GLN 75 HE21 GLN 75 -7.239 -8.389 -16.674 584 HE22 GLN 75 HE22 GLN 75 -6.260 -9.785 -16.306 585 H GLU 76 H GLU 76 -4.588 -3.267 -16.179 586 HA GLU 76 HA GLU 76 -2.725 -2.640 -18.315 587 HB2 GLU 76 HB2 GLU 76 -5.774 -2.419 -18.472 588 HB3 GLU 76 HB3 GLU 76 -4.700 -1.527 -19.532 589 HG2 GLU 76 HG2 GLU 76 -4.882 -4.577 -19.383 590 HG3 GLU 76 HG3 GLU 76 -5.606 -3.580 -20.617 591 H ASN 77 H ASN 77 -2.902 -0.146 -18.513 592 HA ASN 77 HA ASN 77 -2.626 1.063 -16.022 593 HB2 ASN 77 HB2 ASN 77 -1.717 1.899 -18.206 594 HB3 ASN 77 HB3 ASN 77 -3.345 2.437 -18.647 595 HD21 ASN 77 HD21 ASN 77 -1.069 2.733 -15.818 596 HD22 ASN 77 HD22 ASN 77 -1.426 4.430 -15.566 597 H LYS 78 H LYS 78 -5.626 0.547 -17.702 598 HA LYS 78 HA LYS 78 -7.050 2.629 -16.244 599 HB2 LYS 78 HB2 LYS 78 -9.033 1.925 -17.430 600 HB3 LYS 78 HB3 LYS 78 -7.694 2.299 -18.504 601 HG2 LYS 78 HG2 LYS 78 -7.265 -0.038 -18.951 602 HG3 LYS 78 HG3 LYS 78 -8.440 -0.555 -17.752 603 HD2 LYS 78 HD2 LYS 78 -9.093 0.900 -20.324 604 HD3 LYS 78 HD3 LYS 78 -9.348 -0.812 -19.966 605 HE2 LYS 78 HE2 LYS 78 -10.888 -0.191 -18.102 606 HE3 LYS 78 HE3 LYS 78 -10.765 1.496 -18.634 607 HZ1 LYS 78 HZ1 LYS 78 -11.627 0.793 -20.804 608 HZ2 LYS 78 HZ2 LYS 78 -12.683 0.441 -19.605 609 HZ3 LYS 78 HZ3 LYS 78 -11.785 -0.759 -20.250 610 H CYS 79 H CYS 79 -6.015 1.299 -14.206 611 HA CYS 79 HA CYS 79 -7.636 -0.939 -13.389 612 HB2 CYS 79 HB2 CYS 79 -6.249 0.466 -11.173 613 HB3 CYS 79 HB3 CYS 79 -6.211 -1.223 -11.672 614 HA PRO 80 HA PRO 80 -10.941 1.116 -11.318 615 HB2 PRO 80 HB2 PRO 80 -11.616 -0.642 -9.339 616 HB3 PRO 80 HB3 PRO 80 -11.840 -1.016 -11.074 617 HG2 PRO 80 HG2 PRO 80 -9.541 -1.853 -9.274 618 HG3 PRO 80 HG3 PRO 80 -10.461 -2.870 -10.426 619 HD2 PRO 80 HD2 PRO 80 -8.085 -1.782 -11.081 620 HD3 PRO 80 HD3 PRO 80 -9.401 -1.939 -12.288 621 H VAL 81 H VAL 81 -8.035 0.191 -9.429 622 HA VAL 81 HA VAL 81 -8.781 1.712 -7.085 623 HB VAL 81 HB VAL 81 -6.097 0.566 -7.987 624 HG11 VAL 81 HG11 VAL 81 -5.780 2.326 -6.318 625 HG12 VAL 81 HG12 VAL 81 -7.065 1.640 -5.291 626 HG13 VAL 81 HG13 VAL 81 -5.541 0.763 -5.553 627 HG21 VAL 81 HG21 VAL 81 -8.275 -0.567 -6.170 628 HG22 VAL 81 HG22 VAL 81 -7.702 -1.250 -7.706 629 HG23 VAL 81 HG23 VAL 81 -6.635 -1.228 -6.313 630 HA PRO 82 HA PRO 82 -7.586 5.434 -9.328 631 HB2 PRO 82 HB2 PRO 82 -8.009 7.338 -7.412 632 HB3 PRO 82 HB3 PRO 82 -9.351 6.482 -8.257 633 HG2 PRO 82 HG2 PRO 82 -8.147 5.916 -5.548 634 HG3 PRO 82 HG3 PRO 82 -9.879 5.996 -6.002 635 HD2 PRO 82 HD2 PRO 82 -8.447 3.637 -5.790 636 HD3 PRO 82 HD3 PRO 82 -9.807 3.817 -6.924 637 H PHE 83 H PHE 83 -6.065 4.475 -6.205 638 HA PHE 83 HA PHE 83 -4.066 6.560 -6.421 639 HB2 PHE 83 HB2 PHE 83 -4.515 4.249 -4.613 640 HB3 PHE 83 HB3 PHE 83 -2.907 4.946 -4.738 641 HD1 PHE 83 HD1 PHE 83 -6.002 7.139 -5.069 642 HD2 PHE 83 HD2 PHE 83 -2.812 5.722 -2.520 643 HE1 PHE 83 HE1 PHE 83 -6.440 8.975 -3.488 644 HE2 PHE 83 HE2 PHE 83 -3.267 7.588 -0.931 645 HZ PHE 83 HZ PHE 83 -5.106 9.203 -1.417 646 H CYS 84 H CYS 84 -4.525 3.445 -7.835 647 HA CYS 84 HA CYS 84 -1.888 2.786 -8.588 648 HB2 CYS 84 HB2 CYS 84 -4.238 1.483 -8.637 649 HB3 CYS 84 HB3 CYS 84 -4.419 2.230 -10.203 650 H LEU 85 H LEU 85 -4.478 4.266 -10.589 651 HA LEU 85 HA LEU 85 -2.744 5.203 -12.600 652 HB2 LEU 85 HB2 LEU 85 -4.620 6.600 -13.402 653 HB3 LEU 85 HB3 LEU 85 -5.063 4.953 -13.107 654 HG LEU 85 HG LEU 85 -5.779 5.940 -10.717 655 HD11 LEU 85 HD11 LEU 85 -6.306 8.314 -12.533 656 HD12 LEU 85 HD12 LEU 85 -5.026 8.332 -11.331 657 HD13 LEU 85 HD13 LEU 85 -6.695 8.170 -10.803 658 HD21 LEU 85 HD21 LEU 85 -7.294 4.737 -12.116 659 HD22 LEU 85 HD22 LEU 85 -7.466 6.145 -13.184 660 HD23 LEU 85 HD23 LEU 85 -8.086 6.191 -11.518 661 H ASN 86 H ASN 86 -3.567 6.645 -9.473 662 HA ASN 86 HA ASN 86 -2.824 9.336 -10.181 663 HB2 ASN 86 HB2 ASN 86 -3.289 8.055 -7.551 664 HB3 ASN 86 HB3 ASN 86 -2.313 9.509 -7.624 665 HD21 ASN 86 HD21 ASN 86 -5.545 8.277 -8.136 666 HD22 ASN 86 HD22 ASN 86 -6.344 9.813 -8.350 667 H ILE 87 H ILE 87 -1.022 6.528 -8.855 668 HA ILE 87 HA ILE 87 1.469 7.918 -8.542 669 HB ILE 87 HB ILE 87 0.622 5.018 -8.874 670 HG12 ILE 87 HG12 ILE 87 1.965 6.428 -6.537 671 HG13 ILE 87 HG13 ILE 87 0.232 6.559 -6.785 672 HG21 ILE 87 HG21 ILE 87 3.496 5.971 -8.492 673 HG22 ILE 87 HG22 ILE 87 2.922 4.300 -8.272 674 HG23 ILE 87 HG23 ILE 87 2.852 5.030 -9.856 675 HD11 ILE 87 HD11 ILE 87 0.453 4.830 -5.262 676 HD12 ILE 87 HD12 ILE 87 0.104 4.020 -6.790 677 HD13 ILE 87 HD13 ILE 87 1.779 4.069 -6.163 678 H LYS 88 H LYS 88 0.133 5.949 -11.257 679 HA LYS 88 HA LYS 88 2.261 6.426 -13.022 680 HB2 LYS 88 HB2 LYS 88 -0.684 5.890 -13.556 681 HB3 LYS 88 HB3 LYS 88 0.551 5.830 -14.800 682 HG2 LYS 88 HG2 LYS 88 0.588 4.124 -12.265 683 HG3 LYS 88 HG3 LYS 88 -0.105 3.605 -13.779 684 HD2 LYS 88 HD2 LYS 88 2.827 4.339 -13.385 685 HD3 LYS 88 HD3 LYS 88 2.170 2.698 -13.373 686 HE2 LYS 88 HE2 LYS 88 1.382 2.956 -15.695 687 HE3 LYS 88 HE3 LYS 88 2.002 4.619 -15.722 688 HZ1 LYS 88 HZ1 LYS 88 4.215 3.780 -15.507 689 HZ2 LYS 88 HZ2 LYS 88 3.472 3.049 -16.779 690 HZ3 LYS 88 HZ3 LYS 88 3.640 2.202 -15.398 691 H GLN 89 H GLN 89 -0.321 8.727 -12.217 692 HA GLN 89 HA GLN 89 0.413 10.355 -14.570 693 HB2 GLN 89 HB2 GLN 89 -1.266 11.928 -13.932 694 HB3 GLN 89 HB3 GLN 89 -1.910 10.286 -14.137 695 HG2 GLN 89 HG2 GLN 89 -1.930 9.954 -11.813 696 HG3 GLN 89 HG3 GLN 89 -1.198 11.483 -11.458 697 HE21 GLN 89 HE21 GLN 89 -4.228 9.953 -12.533 698 HE22 GLN 89 HE22 GLN 89 -5.224 11.338 -12.158 699 H LYS 90 H LYS 90 1.728 9.889 -11.576 700 HA LYS 90 HA LYS 90 2.900 12.663 -11.518 701 HB2 LYS 90 HB2 LYS 90 2.439 10.801 -9.185 702 HB3 LYS 90 HB3 LYS 90 3.136 12.422 -9.129 703 HG2 LYS 90 HG2 LYS 90 0.983 13.413 -9.829 704 HG3 LYS 90 HG3 LYS 90 0.256 11.812 -9.844 705 HD2 LYS 90 HD2 LYS 90 1.220 13.410 -7.478 706 HD3 LYS 90 HD3 LYS 90 -0.389 12.728 -7.787 707 HE2 LYS 90 HE2 LYS 90 0.480 10.445 -7.450 708 HE3 LYS 90 HE3 LYS 90 2.103 11.098 -7.206 709 HZ1 LYS 90 HZ1 LYS 90 -0.172 11.429 -5.385 710 HZ2 LYS 90 HZ2 LYS 90 1.183 12.353 -5.278 711 HZ3 LYS 90 HZ3 LYS 90 1.321 10.740 -5.103 712 H GLY 91 H GLY 91 3.662 9.280 -11.779 713 HA2 GLY 91 HA2 GLY 91 5.788 8.489 -12.323 714 HA3 GLY 91 HA3 GLY 91 6.518 9.943 -11.627 715 H GLY 92 H GLY 92 5.936 10.127 -9.075 716 HA2 GLY 92 HA2 GLY 92 5.553 8.958 -7.031 717 HA3 GLY 92 HA3 GLY 92 5.975 7.427 -7.796 718 H SER 93 H SER 93 8.017 10.187 -8.452 719 HA SER 93 HA SER 93 10.420 9.106 -7.646 720 HB2 SER 93 HB2 SER 93 9.912 12.064 -7.882 721 HB3 SER 93 HB3 SER 93 11.287 11.125 -8.464 722 HG SER 93 HG SER 93 9.753 11.848 -10.104 723 H GLY 94 H GLY 94 8.197 9.870 -5.368 724 HA2 GLY 94 HA2 GLY 94 8.426 9.996 -3.081 725 HA3 GLY 94 HA3 GLY 94 10.157 10.283 -3.253 726 H GLY 95 H GLY 95 10.515 12.538 -4.536 727 HA2 GLY 95 HA2 GLY 95 9.323 14.806 -4.708 728 HA3 GLY 95 HA3 GLY 95 9.057 14.639 -2.969 729 H GLY 96 H GLY 96 11.870 13.209 -2.954 730 HA2 GLY 96 HA2 GLY 96 14.095 13.781 -2.928 731 HA3 GLY 96 HA3 GLY 96 13.714 15.395 -3.524 732 H THR 97 H THR 97 11.815 16.060 -1.344 733 HA THR 97 HA THR 97 13.706 17.058 0.567 734 HB THR 97 HB THR 97 10.663 16.797 0.633 735 HG1 THR 97 HG1 THR 97 10.655 18.761 -0.189 736 HG21 THR 97 HG21 THR 97 11.272 17.161 2.897 737 HG22 THR 97 HG22 THR 97 10.850 18.758 2.275 738 HG23 THR 97 HG23 THR 97 12.557 18.305 2.480 739 H GLY 98 H GLY 98 14.139 16.407 2.680 740 HA2 GLY 98 HA2 GLY 98 13.195 14.925 4.564 741 HA3 GLY 98 HA3 GLY 98 13.447 13.614 3.411 742 H GLY 99 H GLY 99 15.884 14.511 2.209 743 HA2 GLY 99 HA2 GLY 99 18.133 14.977 2.597 744 HA3 GLY 99 HA3 GLY 99 17.874 14.966 4.342 745 H GLY 100 H GLY 100 16.415 12.307 4.255 746 HA2 GLY 100 HA2 GLY 100 16.795 10.048 4.079 747 HA3 GLY 100 HA3 GLY 100 18.279 10.342 3.170 748 H SER 101 H SER 101 18.760 12.334 5.743 749 HA SER 101 HA SER 101 20.502 10.505 7.155 750 HB2 SER 101 HB2 SER 101 20.901 12.798 8.343 751 HB3 SER 101 HB3 SER 101 21.437 12.598 6.675 752 HG SER 101 HG SER 101 20.045 14.554 7.367 753 H GLY 102 H GLY 102 20.222 9.861 9.321 754 HA2 GLY 102 HA2 GLY 102 18.934 10.655 11.408 755 HA3 GLY 102 HA3 GLY 102 17.506 10.211 10.482 756 H THR 103 H THR 103 17.216 7.968 9.842 757 HA THR 103 HA THR 103 17.502 6.092 11.746 758 HB THR 103 HB THR 103 17.388 5.666 8.740 759 HG1 THR 103 HG1 THR 103 15.381 6.302 10.654 760 HG21 THR 103 HG21 THR 103 16.139 4.001 10.964 761 HG22 THR 103 HG22 THR 103 17.448 3.508 9.870 762 HG23 THR 103 HG23 THR 103 15.844 3.811 9.223 763 H ILE 104 H ILE 104 18.768 4.385 12.299 764 HA ILE 104 HA ILE 104 21.617 4.625 11.838 765 HB ILE 104 HB ILE 104 19.938 2.556 13.330 766 HG12 ILE 104 HG12 ILE 104 21.530 4.905 14.460 767 HG13 ILE 104 HG13 ILE 104 19.786 4.934 14.214 768 HG21 ILE 104 HG21 ILE 104 22.158 1.655 12.708 769 HG22 ILE 104 HG22 ILE 104 22.936 3.045 13.505 770 HG23 ILE 104 HG23 ILE 104 21.987 1.865 14.445 771 HD11 ILE 104 HD11 ILE 104 21.263 3.120 16.143 772 HD12 ILE 104 HD12 ILE 104 20.183 4.472 16.516 773 HD13 ILE 104 HD13 ILE 104 19.526 3.005 15.767 774 H GLU 105 H GLU 105 18.918 2.596 10.809 775 HA GLU 105 HA GLU 105 20.542 0.840 9.112 776 HB2 GLU 105 HB2 GLU 105 17.568 1.105 9.736 777 HB3 GLU 105 HB3 GLU 105 18.236 -0.124 8.655 778 HG2 GLU 105 HG2 GLU 105 19.586 -1.087 10.405 779 HG3 GLU 105 HG3 GLU 105 19.208 0.213 11.533 780 H GLY 106 H GLY 106 19.085 0.550 6.858 781 HA2 GLY 106 HA2 GLY 106 18.089 1.845 5.050 782 HA3 GLY 106 HA3 GLY 106 19.038 3.246 5.535 783 H ARG 107 H ARG 107 20.333 -0.045 5.459 784 HA ARG 107 HA ARG 107 22.658 0.625 3.916 785 HB2 ARG 107 HB2 ARG 107 21.369 -2.060 4.529 786 HB3 ARG 107 HB3 ARG 107 23.002 -1.847 3.928 787 HG2 ARG 107 HG2 ARG 107 22.301 -0.415 6.513 788 HG3 ARG 107 HG3 ARG 107 22.352 -2.167 6.523 789 HD2 ARG 107 HD2 ARG 107 24.492 -1.396 7.188 790 HD3 ARG 107 HD3 ARG 107 24.624 -2.134 5.585 791 HE ARG 107 HE ARG 107 24.283 0.764 5.478 792 HH11 ARG 107 HH11 ARG 107 26.643 -1.855 6.026 793 HH12 ARG 107 HH12 ARG 107 28.002 -0.949 5.483 794 HH21 ARG 107 HH21 ARG 107 26.128 1.925 4.555 795 HH22 ARG 107 HH22 ARG 107 27.714 1.223 4.711 796 H GLY 108 H GLY 108 19.706 -1.199 3.092 797 HA2 GLY 108 HA2 GLY 108 18.607 -0.728 0.955 798 HA3 GLY 108 HA3 GLY 108 20.191 -0.678 0.182 799 H ASP 109 H ASP 109 20.378 -3.005 2.530 800 HA ASP 109 HA ASP 109 20.684 -5.198 0.825 801 HB2 ASP 109 HB2 ASP 109 20.000 -5.235 3.785 802 HB3 ASP 109 HB3 ASP 109 20.728 -6.543 2.851 803 H GLY 110 H GLY 110 19.284 -6.680 0.038 804 HA2 GLY 110 HA2 GLY 110 17.383 -7.994 -0.154 805 HA3 GLY 110 HA3 GLY 110 16.615 -7.125 1.176 806 H GLY 111 H GLY 111 17.465 -4.512 -0.502 807 HA2 GLY 111 HA2 GLY 111 16.556 -3.207 -2.155 808 HA3 GLY 111 HA3 GLY 111 15.862 -4.643 -2.897 809 H THR 112 H THR 112 14.643 -4.844 0.129 810 HA THR 112 HA THR 112 12.279 -3.135 -0.431 811 HB THR 112 HB THR 112 11.167 -4.967 1.077 812 HG1 THR 112 HG1 THR 112 12.989 -6.226 1.595 813 HG21 THR 112 HG21 THR 112 12.026 -5.653 -1.755 814 HG22 THR 112 HG22 THR 112 10.770 -4.462 -1.347 815 HG23 THR 112 HG23 THR 112 10.544 -6.150 -0.896 816 H THR 113 H THR 113 14.842 -2.473 1.106 817 HA THR 113 HA THR 113 14.493 -2.347 3.802 818 HB THR 113 HB THR 113 15.678 -0.136 2.095 819 HG1 THR 113 HG1 THR 113 16.709 -1.786 1.356 820 HG21 THR 113 HG21 THR 113 17.348 0.027 3.928 821 HG22 THR 113 HG22 THR 113 16.378 -1.109 4.895 822 HG23 THR 113 HG23 THR 113 15.715 0.474 4.442 823 H PHE 114 H PHE 114 12.669 -0.420 1.496 824 HA PHE 114 HA PHE 114 11.782 1.689 3.066 825 HB2 PHE 114 HB2 PHE 114 10.028 1.926 1.562 826 HB3 PHE 114 HB3 PHE 114 11.242 1.107 0.593 827 HD1 PHE 114 HD1 PHE 114 7.961 0.922 2.182 828 HD2 PHE 114 HD2 PHE 114 10.936 -1.398 0.130 829 HE1 PHE 114 HE1 PHE 114 6.322 -0.916 1.889 830 HE2 PHE 114 HE2 PHE 114 9.258 -3.205 -0.239 831 HZ PHE 114 HZ PHE 114 6.911 -2.926 0.599 832 H GLU 115 H GLU 115 11.021 -1.739 3.427 833 HA GLU 115 HA GLU 115 8.598 -1.728 4.791 834 HB2 GLU 115 HB2 GLU 115 9.231 -3.899 5.573 835 HB3 GLU 115 HB3 GLU 115 9.750 -3.685 3.919 836 HG2 GLU 115 HG2 GLU 115 11.527 -4.820 4.957 837 HG3 GLU 115 HG3 GLU 115 12.098 -3.161 4.811 838 H HIS 116 H HIS 116 11.781 -0.704 5.979 839 HA HIS 116 HA HIS 116 11.317 -0.822 8.707 840 HB2 HIS 116 HB2 HIS 116 13.198 0.425 8.968 841 HB3 HIS 116 HB3 HIS 116 13.424 -0.130 7.314 842 HD1 HIS 116 HD1 HIS 116 13.004 3.042 9.375 843 HD2 HIS 116 HD2 HIS 116 13.052 1.825 5.333 844 HE1 HIS 116 HE1 HIS 116 13.413 5.128 7.980 845 H LEU 117 H LEU 117 9.843 1.421 6.415 846 HA LEU 117 HA LEU 117 9.228 3.512 8.285 847 HB2 LEU 117 HB2 LEU 117 7.946 2.703 5.664 848 HB3 LEU 117 HB3 LEU 117 7.172 3.852 6.739 849 HG LEU 117 HG LEU 117 9.343 5.201 6.661 850 HD11 LEU 117 HD11 LEU 117 10.760 4.914 4.696 851 HD12 LEU 117 HD12 LEU 117 9.792 3.538 4.139 852 HD13 LEU 117 HD13 LEU 117 10.758 3.413 5.620 853 HD21 LEU 117 HD21 LEU 117 7.698 4.856 4.116 854 HD22 LEU 117 HD22 LEU 117 8.688 6.274 4.532 855 HD23 LEU 117 HD23 LEU 117 7.272 5.864 5.516 856 H TRP 118 H TRP 118 7.669 0.333 7.586 857 HA TRP 118 HA TRP 118 5.277 0.833 9.081 858 HB2 TRP 118 HB2 TRP 118 6.680 -1.833 8.744 859 HB3 TRP 118 HB3 TRP 118 4.977 -1.541 8.997 860 HD1 TRP 118 HD1 TRP 118 6.907 -2.890 6.537 861 HE1 TRP 118 HE1 TRP 118 5.820 -2.771 4.232 862 HE3 TRP 118 HE3 TRP 118 3.633 0.941 7.373 863 HZ2 TRP 118 HZ2 TRP 118 4.029 -1.016 2.817 864 HZ3 TRP 118 HZ3 TRP 118 2.171 1.748 5.522 865 HH2 TRP 118 HH2 TRP 118 2.369 0.778 3.231 866 H SER 119 H SER 119 8.517 -0.460 9.945 867 HA SER 119 HA SER 119 7.869 -0.885 12.721 868 HB2 SER 119 HB2 SER 119 10.592 -0.651 11.391 869 HB3 SER 119 HB3 SER 119 10.192 -1.440 12.931 870 HG SER 119 HG SER 119 8.680 -2.754 11.566 871 H SER 120 H SER 120 7.936 1.935 11.179 872 HA SER 120 HA SER 120 8.896 3.504 13.476 873 HB2 SER 120 HB2 SER 120 10.156 3.440 10.930 874 HB3 SER 120 HB3 SER 120 9.225 4.936 10.943 875 HG SER 120 HG SER 120 10.380 5.661 12.644 876 H LEU 121 H LEU 121 6.272 2.353 12.143 877 HA LEU 121 HA LEU 121 4.752 4.871 11.834 878 HB2 LEU 121 HB2 LEU 121 4.663 3.089 9.995 879 HB3 LEU 121 HB3 LEU 121 3.916 2.014 11.174 880 HG LEU 121 HG LEU 121 1.973 3.522 11.347 881 HD11 LEU 121 HD11 LEU 121 3.527 5.275 9.379 882 HD12 LEU 121 HD12 LEU 121 2.921 5.737 10.986 883 HD13 LEU 121 HD13 LEU 121 1.787 5.433 9.678 884 HD21 LEU 121 HD21 LEU 121 2.737 2.991 8.439 885 HD22 LEU 121 HD22 LEU 121 1.096 3.148 9.108 886 HD23 LEU 121 HD23 LEU 121 2.095 1.779 9.569 887 H GLU 122 H GLU 122 2.619 4.773 13.123 888 HA GLU 122 HA GLU 122 3.334 4.153 15.777 889 HB2 GLU 122 HB2 GLU 122 1.060 4.894 16.330 890 HB3 GLU 122 HB3 GLU 122 2.000 5.937 15.264 891 HG2 GLU 122 HG2 GLU 122 0.657 4.765 13.317 892 HG3 GLU 122 HG3 GLU 122 -0.444 4.259 14.592 893 HA PRO 123 HA PRO 123 2.212 -0.062 16.206 894 HB2 PRO 123 HB2 PRO 123 1.852 -0.298 18.910 895 HB3 PRO 123 HB3 PRO 123 3.449 0.071 18.186 896 HG2 PRO 123 HG2 PRO 123 1.462 2.051 19.326 897 HG3 PRO 123 HG3 PRO 123 3.207 1.897 19.697 898 HD2 PRO 123 HD2 PRO 123 2.285 3.676 17.862 899 HD3 PRO 123 HD3 PRO 123 3.815 2.795 17.587 900 H ASP 124 H ASP 124 -0.017 2.442 17.301 901 HA ASP 124 HA ASP 124 -2.226 0.583 17.765 902 HB2 ASP 124 HB2 ASP 124 -3.368 2.441 18.593 903 HB3 ASP 124 HB3 ASP 124 -1.706 2.802 19.020 904 H SER 125 H SER 125 -0.839 1.822 15.006 905 HA SER 125 HA SER 125 -2.274 2.971 13.236 906 HB2 SER 125 HB2 SER 125 -1.397 1.519 11.475 907 HB3 SER 125 HB3 SER 125 -0.206 1.970 12.693 908 HG SER 125 HG SER 125 -1.419 -0.506 12.153 909 H THR 126 H THR 126 -4.487 3.030 13.648 910 HA THR 126 HA THR 126 -6.186 0.773 13.454 911 HB THR 126 HB THR 126 -6.665 2.890 14.590 912 HG1 THR 126 HG1 THR 126 -8.298 1.539 14.179 913 HG21 THR 126 HG21 THR 126 -7.628 4.785 13.385 914 HG22 THR 126 HG22 THR 126 -7.165 4.055 11.829 915 HG23 THR 126 HG23 THR 126 -5.925 4.570 12.989 916 H TYR 127 H TYR 127 -4.418 2.067 10.974 917 HA TYR 127 HA TYR 127 -6.266 1.197 8.827 918 HB2 TYR 127 HB2 TYR 127 -4.760 2.713 7.440 919 HB3 TYR 127 HB3 TYR 127 -5.857 3.474 8.575 920 HD1 TYR 127 HD1 TYR 127 -2.484 3.226 7.466 921 HD2 TYR 127 HD2 TYR 127 -4.893 4.298 10.865 922 HE1 TYR 127 HE1 TYR 127 -0.542 4.441 8.467 923 HE2 TYR 127 HE2 TYR 127 -2.947 5.420 11.905 924 HH TYR 127 HH TYR 127 -0.812 6.002 11.721 925 H PHE 128 H PHE 128 -2.646 1.312 9.361 926 HA PHE 128 HA PHE 128 -2.455 -1.094 7.649 927 HB2 PHE 128 HB2 PHE 128 -0.537 1.087 8.395 928 HB3 PHE 128 HB3 PHE 128 0.087 -0.500 8.007 929 HD1 PHE 128 HD1 PHE 128 -1.102 -1.672 5.833 930 HD2 PHE 128 HD2 PHE 128 -0.671 2.578 6.513 931 HE1 PHE 128 HE1 PHE 128 -1.437 -1.224 3.405 932 HE2 PHE 128 HE2 PHE 128 -0.945 2.991 4.125 933 HZ PHE 128 HZ PHE 128 -1.302 1.058 2.546 934 H ASP 129 H ASP 129 -0.739 -2.709 8.185 935 HA ASP 129 HA ASP 129 -1.122 -3.576 10.986 936 HB2 ASP 129 HB2 ASP 129 -2.078 -4.951 8.932 937 HB3 ASP 129 HB3 ASP 129 -0.414 -5.517 8.804 938 H LEU 130 H LEU 130 0.629 -3.689 12.205 939 HA LEU 130 HA LEU 130 3.169 -2.721 11.174 940 HB2 LEU 130 HB2 LEU 130 3.868 -2.794 13.519 941 HB3 LEU 130 HB3 LEU 130 2.414 -1.875 13.238 942 HG LEU 130 HG LEU 130 1.246 -4.272 13.882 943 HD11 LEU 130 HD11 LEU 130 3.838 -4.135 15.447 944 HD12 LEU 130 HD12 LEU 130 3.348 -5.418 14.281 945 HD13 LEU 130 HD13 LEU 130 2.463 -5.204 15.808 946 HD21 LEU 130 HD21 LEU 130 0.860 -2.016 14.880 947 HD22 LEU 130 HD22 LEU 130 2.235 -2.301 15.960 948 HD23 LEU 130 HD23 LEU 130 0.794 -3.347 16.028 Start of MODEL 4 1 H1 ALA 1 H ALA 1 7.849 -27.077 6.529 2 HA ALA 1 HA ALA 1 8.053 -24.942 4.500 3 HB1 ALA 1 HB1 ALA 1 5.594 -25.733 6.108 4 HB2 ALA 1 HB2 ALA 1 5.715 -24.378 4.960 5 HB3 ALA 1 HB3 ALA 1 5.858 -26.041 4.379 6 H THR 2 H THR 2 9.979 -24.718 6.389 7 HA THR 2 HA THR 2 9.011 -22.489 8.099 8 HB THR 2 HB THR 2 10.674 -24.855 9.049 9 HG1 THR 2 HG1 THR 2 8.848 -25.244 10.330 10 HG21 THR 2 HG21 THR 2 9.731 -22.371 10.552 11 HG22 THR 2 HG22 THR 2 11.405 -22.838 10.219 12 HG23 THR 2 HG23 THR 2 10.418 -23.823 11.315 13 H GLN 3 H GLN 3 11.629 -24.016 6.229 14 HA GLN 3 HA GLN 3 12.974 -21.396 6.112 15 HB2 GLN 3 HB2 GLN 3 15.155 -22.375 6.534 16 HB3 GLN 3 HB3 GLN 3 14.101 -22.525 7.937 17 HG2 GLN 3 HG2 GLN 3 13.706 -24.913 7.437 18 HG3 GLN 3 HG3 GLN 3 14.701 -24.793 5.980 19 HE21 GLN 3 HE21 GLN 3 16.991 -24.298 6.224 20 HE22 GLN 3 HE22 GLN 3 17.830 -24.350 7.757 21 H SER 4 H SER 4 11.236 -23.006 4.389 22 HA SER 4 HA SER 4 12.645 -24.388 2.338 23 HB2 SER 4 HB2 SER 4 9.923 -23.025 2.237 24 HB3 SER 4 HB3 SER 4 10.429 -24.510 1.412 25 HG SER 4 HG SER 4 10.517 -25.552 3.360 26 HA PRO 5 HA PRO 5 13.915 -20.912 -0.135 27 HB2 PRO 5 HB2 PRO 5 13.358 -21.597 -2.740 28 HB3 PRO 5 HB3 PRO 5 14.661 -22.335 -1.754 29 HG2 PRO 5 HG2 PRO 5 11.865 -23.419 -2.242 30 HG3 PRO 5 HG3 PRO 5 13.427 -24.284 -2.382 31 HD2 PRO 5 HD2 PRO 5 11.916 -24.471 -0.148 32 HD3 PRO 5 HD3 PRO 5 13.697 -24.376 -0.027 33 H GLY 6 H GLY 6 12.751 -19.069 0.295 34 HA2 GLY 6 HA2 GLY 6 10.699 -18.119 -1.344 35 HA3 GLY 6 HA3 GLY 6 9.964 -18.761 0.145 36 H ASP 7 H ASP 7 9.462 -16.298 0.448 37 HA ASP 7 HA ASP 7 11.535 -15.184 2.137 38 HB2 ASP 7 HB2 ASP 7 12.242 -14.374 -0.119 39 HB3 ASP 7 HB3 ASP 7 10.663 -13.603 -0.306 40 H SER 8 H SER 8 10.575 -14.375 3.866 41 HA SER 8 HA SER 8 7.741 -14.196 4.037 42 HB2 SER 8 HB2 SER 8 9.960 -13.241 5.881 43 HB3 SER 8 HB3 SER 8 8.244 -13.366 6.311 44 HG SER 8 HG SER 8 10.073 -15.237 6.473 45 H ARG 9 H ARG 9 10.292 -11.605 3.944 46 HA ARG 9 HA ARG 9 8.483 -9.428 4.410 47 HB2 ARG 9 HB2 ARG 9 11.062 -9.528 2.755 48 HB3 ARG 9 HB3 ARG 9 10.192 -8.064 3.158 49 HG2 ARG 9 HG2 ARG 9 11.616 -9.924 5.093 50 HG3 ARG 9 HG3 ARG 9 12.051 -8.272 4.636 51 HD2 ARG 9 HD2 ARG 9 9.783 -7.551 5.642 52 HD3 ARG 9 HD3 ARG 9 9.668 -9.188 6.285 53 HE ARG 9 HE ARG 9 11.189 -8.719 7.879 54 HH11 ARG 9 HH11 ARG 9 11.142 -5.991 5.543 55 HH12 ARG 9 HH12 ARG 9 11.973 -4.947 6.671 56 HH21 ARG 9 HH21 ARG 9 12.530 -7.330 9.148 57 HH22 ARG 9 HH22 ARG 9 12.906 -5.732 8.563 58 H ARG 10 H ARG 10 9.656 -10.842 1.373 59 HA ARG 10 HA ARG 10 8.218 -9.280 -0.455 60 HB2 ARG 10 HB2 ARG 10 8.910 -12.241 -0.528 61 HB3 ARG 10 HB3 ARG 10 8.349 -11.348 -1.933 62 HG2 ARG 10 HG2 ARG 10 10.782 -10.377 -0.355 63 HG3 ARG 10 HG3 ARG 10 10.927 -11.665 -1.541 64 HD2 ARG 10 HD2 ARG 10 9.688 -8.961 -2.139 65 HD3 ARG 10 HD3 ARG 10 11.418 -9.300 -2.354 66 HE ARG 10 HE ARG 10 9.174 -10.192 -3.994 67 HH11 ARG 10 HH11 ARG 10 12.534 -11.117 -3.070 68 HH12 ARG 10 HH12 ARG 10 12.741 -12.089 -4.479 69 HH21 ARG 10 HH21 ARG 10 9.322 -11.733 -5.457 70 HH22 ARG 10 HH22 ARG 10 10.675 -12.800 -5.559 71 H LEU 11 H LEU 11 7.138 -12.309 1.139 72 HA LEU 11 HA LEU 11 4.524 -12.161 -0.037 73 HB2 LEU 11 HB2 LEU 11 5.558 -13.674 2.382 74 HB3 LEU 11 HB3 LEU 11 3.958 -13.910 1.661 75 HG LEU 11 HG LEU 11 6.573 -14.281 0.114 76 HD11 LEU 11 HD11 LEU 11 6.159 -16.678 0.420 77 HD12 LEU 11 HD12 LEU 11 4.751 -16.275 1.464 78 HD13 LEU 11 HD13 LEU 11 6.407 -15.832 1.965 79 HD21 LEU 11 HD21 LEU 11 3.707 -14.882 -0.629 80 HD22 LEU 11 HD22 LEU 11 5.140 -15.518 -1.487 81 HD23 LEU 11 HD23 LEU 11 4.861 -13.780 -1.432 82 H SER 12 H SER 12 5.851 -10.803 2.992 83 HA SER 12 HA SER 12 3.300 -10.197 4.167 84 HB2 SER 12 HB2 SER 12 5.587 -10.118 5.346 85 HB3 SER 12 HB3 SER 12 5.848 -8.557 4.538 86 HG SER 12 HG SER 12 4.857 -8.283 6.598 87 H ILE 13 H ILE 13 5.548 -8.377 2.043 88 HA ILE 13 HA ILE 13 3.976 -6.070 1.711 89 HB ILE 13 HB ILE 13 5.919 -7.436 -0.230 90 HG12 ILE 13 HG12 ILE 13 6.598 -5.000 1.363 91 HG13 ILE 13 HG13 ILE 13 6.794 -6.584 2.104 92 HG21 ILE 13 HG21 ILE 13 6.102 -4.872 -1.001 93 HG22 ILE 13 HG22 ILE 13 4.904 -5.984 -1.635 94 HG23 ILE 13 HG23 ILE 13 4.461 -4.829 -0.336 95 HD11 ILE 13 HD11 ILE 13 8.328 -7.244 0.316 96 HD12 ILE 13 HD12 ILE 13 8.064 -5.705 -0.534 97 HD13 ILE 13 HD13 ILE 13 8.857 -5.728 1.058 98 H GLN 14 H GLN 14 4.180 -8.987 -0.450 99 HA GLN 14 HA GLN 14 2.199 -8.207 -2.250 100 HB2 GLN 14 HB2 GLN 14 3.167 -10.950 -1.390 101 HB3 GLN 14 HB3 GLN 14 1.952 -10.726 -2.661 102 HG2 GLN 14 HG2 GLN 14 3.445 -9.278 -3.924 103 HG3 GLN 14 HG3 GLN 14 4.698 -9.400 -2.678 104 HE21 GLN 14 HE21 GLN 14 2.994 -11.099 -5.270 105 HE22 GLN 14 HE22 GLN 14 4.165 -12.413 -5.395 106 H ARG 15 H ARG 15 1.709 -10.250 0.662 107 HA ARG 15 HA ARG 15 -1.074 -10.639 0.275 108 HB2 ARG 15 HB2 ARG 15 0.674 -10.552 2.761 109 HB3 ARG 15 HB3 ARG 15 -1.037 -10.986 2.807 110 HG2 ARG 15 HG2 ARG 15 -0.690 -12.830 1.289 111 HG3 ARG 15 HG3 ARG 15 1.019 -12.471 1.097 112 HD2 ARG 15 HD2 ARG 15 -0.360 -13.216 3.696 113 HD3 ARG 15 HD3 ARG 15 0.614 -14.323 2.706 114 HE ARG 15 HE ARG 15 2.284 -12.193 3.193 115 HH11 ARG 15 HH11 ARG 15 0.495 -14.507 5.201 116 HH12 ARG 15 HH12 ARG 15 1.231 -14.010 6.691 117 HH21 ARG 15 HH21 ARG 15 3.614 -11.872 5.151 118 HH22 ARG 15 HH22 ARG 15 3.176 -12.647 6.620 119 H ALA 16 H ALA 16 0.679 -8.059 2.089 120 HA ALA 16 HA ALA 16 -1.639 -6.722 3.019 121 HB1 ALA 16 HB1 ALA 16 0.639 -6.341 3.918 122 HB2 ALA 16 HB2 ALA 16 1.129 -5.590 2.387 123 HB3 ALA 16 HB3 ALA 16 -0.116 -4.826 3.404 124 H ILE 17 H ILE 17 0.324 -6.243 0.055 125 HA ILE 17 HA ILE 17 -1.047 -3.997 -0.909 126 HB ILE 17 HB ILE 17 0.381 -6.256 -2.354 127 HG12 ILE 17 HG12 ILE 17 1.319 -3.380 -2.173 128 HG13 ILE 17 HG13 ILE 17 1.572 -4.458 -0.812 129 HG21 ILE 17 HG21 ILE 17 0.481 -4.884 -4.406 130 HG22 ILE 17 HG22 ILE 17 -1.194 -5.225 -3.989 131 HG23 ILE 17 HG23 ILE 17 -0.489 -3.630 -3.631 132 HD11 ILE 17 HD11 ILE 17 2.798 -6.042 -2.188 133 HD12 ILE 17 HD12 ILE 17 2.442 -5.145 -3.638 134 HD13 ILE 17 HD13 ILE 17 3.475 -4.406 -2.407 135 H GLN 18 H GLN 18 -1.592 -7.453 -1.574 136 HA GLN 18 HA GLN 18 -3.740 -7.251 -3.370 137 HB2 GLN 18 HB2 GLN 18 -2.913 -9.371 -1.371 138 HB3 GLN 18 HB3 GLN 18 -4.262 -9.591 -2.485 139 HG2 GLN 18 HG2 GLN 18 -2.849 -9.446 -4.414 140 HG3 GLN 18 HG3 GLN 18 -1.439 -8.998 -3.455 141 HE21 GLN 18 HE21 GLN 18 -1.335 -11.263 -5.192 142 HE22 GLN 18 HE22 GLN 18 -1.345 -12.720 -4.226 143 H SER 19 H SER 19 -3.844 -7.606 0.274 144 HA SER 19 HA SER 19 -6.706 -7.661 0.327 145 HB2 SER 19 HB2 SER 19 -6.307 -6.908 2.779 146 HB3 SER 19 HB3 SER 19 -5.779 -8.507 2.264 147 HG SER 19 HG SER 19 -4.226 -7.193 3.548 148 H LEU 20 H LEU 20 -4.359 -4.990 0.382 149 HA LEU 20 HA LEU 20 -6.279 -3.008 1.125 150 HB2 LEU 20 HB2 LEU 20 -3.554 -3.054 0.847 151 HB3 LEU 20 HB3 LEU 20 -3.987 -2.177 -0.605 152 HG LEU 20 HG LEU 20 -4.921 -1.478 2.196 153 HD11 LEU 20 HD11 LEU 20 -3.246 0.297 2.085 154 HD12 LEU 20 HD12 LEU 20 -2.638 -0.365 0.545 155 HD13 LEU 20 HD13 LEU 20 -2.529 -1.312 2.036 156 HD21 LEU 20 HD21 LEU 20 -6.518 -0.623 0.657 157 HD22 LEU 20 HD22 LEU 20 -5.259 0.017 -0.409 158 HD23 LEU 20 HD23 LEU 20 -5.531 0.709 1.214 159 H VAL 21 H VAL 21 -4.887 -3.806 -2.137 160 HA VAL 21 HA VAL 21 -6.695 -2.020 -3.419 161 HB VAL 21 HB VAL 21 -6.119 -3.010 -5.530 162 HG11 VAL 21 HG11 VAL 21 -3.903 -2.278 -5.541 163 HG12 VAL 21 HG12 VAL 21 -4.622 -1.400 -4.199 164 HG13 VAL 21 HG13 VAL 21 -3.599 -2.823 -3.884 165 HG21 VAL 21 HG21 VAL 21 -4.415 -4.851 -5.618 166 HG22 VAL 21 HG22 VAL 21 -4.734 -5.172 -3.904 167 HG23 VAL 21 HG23 VAL 21 -6.032 -5.348 -5.109 168 H HIS 22 H HIS 22 -7.123 -5.399 -2.374 169 HA HIS 22 HA HIS 22 -9.482 -5.885 -3.936 170 HB2 HIS 22 HB2 HIS 22 -8.441 -7.785 -2.920 171 HB3 HIS 22 HB3 HIS 22 -8.416 -7.028 -1.330 172 HD1 HIS 22 HD1 HIS 22 -11.390 -7.903 -3.752 173 HD2 HIS 22 HD2 HIS 22 -10.103 -8.099 0.270 174 HE1 HIS 22 HE1 HIS 22 -13.316 -8.860 -2.404 175 H ALA 23 H ALA 23 -8.980 -4.683 -0.528 176 HA ALA 23 HA ALA 23 -11.670 -4.198 0.012 177 HB1 ALA 23 HB1 ALA 23 -10.787 -2.761 1.832 178 HB2 ALA 23 HB2 ALA 23 -9.894 -4.279 1.689 179 HB3 ALA 23 HB3 ALA 23 -9.197 -2.760 1.045 180 H ALA 24 H ALA 24 -9.428 -2.196 -1.792 181 HA ALA 24 HA ALA 24 -10.918 0.224 -1.592 182 HB1 ALA 24 HB1 ALA 24 -8.555 0.166 -2.248 183 HB2 ALA 24 HB2 ALA 24 -8.982 -0.759 -3.711 184 HB3 ALA 24 HB3 ALA 24 -9.518 0.928 -3.521 185 H GLN 25 H GLN 25 -11.401 -2.636 -3.526 186 HA GLN 25 HA GLN 25 -13.633 -1.367 -5.032 187 HB2 GLN 25 HB2 GLN 25 -13.093 -2.959 -6.848 188 HB3 GLN 25 HB3 GLN 25 -11.733 -1.890 -6.469 189 HG2 GLN 25 HG2 GLN 25 -10.756 -3.678 -5.039 190 HG3 GLN 25 HG3 GLN 25 -12.043 -4.747 -5.438 191 HE21 GLN 25 HE21 GLN 25 -8.924 -3.833 -6.146 192 HE22 GLN 25 HE22 GLN 25 -8.736 -4.642 -7.700 193 H CYS 26 H CYS 26 -13.068 -3.457 -2.520 194 HA CYS 26 HA CYS 26 -14.698 -5.695 -3.124 195 HB2 CYS 26 HB2 CYS 26 -12.953 -5.705 -1.420 196 HB3 CYS 26 HB3 CYS 26 -13.876 -4.569 -0.437 197 H ARG 27 H ARG 27 -16.643 -5.311 -3.832 198 HA ARG 27 HA ARG 27 -18.641 -3.821 -2.159 199 HB2 ARG 27 HB2 ARG 27 -19.899 -3.269 -4.165 200 HB3 ARG 27 HB3 ARG 27 -18.284 -2.583 -4.275 201 HG2 ARG 27 HG2 ARG 27 -17.566 -4.301 -5.837 202 HG3 ARG 27 HG3 ARG 27 -19.077 -5.203 -5.625 203 HD2 ARG 27 HD2 ARG 27 -20.361 -3.336 -6.591 204 HD3 ARG 27 HD3 ARG 27 -18.862 -2.407 -6.772 205 HE ARG 27 HE ARG 27 -19.130 -5.077 -8.061 206 HH11 ARG 27 HH11 ARG 27 -18.892 -1.523 -8.523 207 HH12 ARG 27 HH12 ARG 27 -18.696 -1.674 -10.228 208 HH21 ARG 27 HH21 ARG 27 -18.660 -5.187 -10.340 209 HH22 ARG 27 HH22 ARG 27 -18.267 -3.723 -11.193 210 H ASN 28 H ASN 28 -17.526 -6.745 -2.594 211 HA ASN 28 HA ASN 28 -20.054 -8.159 -3.281 212 HB2 ASN 28 HB2 ASN 28 -17.099 -8.862 -3.304 213 HB3 ASN 28 HB3 ASN 28 -18.275 -10.128 -3.097 214 HD21 ASN 28 HD21 ASN 28 -19.748 -7.757 -5.143 215 HD22 ASN 28 HD22 ASN 28 -19.530 -8.712 -6.567 216 H ALA 29 H ALA 29 -20.922 -9.590 -1.895 217 HA ALA 29 HA ALA 29 -20.368 -9.107 0.945 218 HB1 ALA 29 HB1 ALA 29 -22.523 -10.217 1.270 219 HB2 ALA 29 HB2 ALA 29 -22.659 -8.910 0.077 220 HB3 ALA 29 HB3 ALA 29 -22.608 -10.613 -0.455 221 H ASN 30 H ASN 30 -19.762 -11.623 -1.431 222 HA ASN 30 HA ASN 30 -19.941 -13.911 0.177 223 HB2 ASN 30 HB2 ASN 30 -19.683 -14.154 -2.195 224 HB3 ASN 30 HB3 ASN 30 -18.123 -13.322 -2.162 225 HD21 ASN 30 HD21 ASN 30 -19.778 -16.213 -0.669 226 HD22 ASN 30 HD22 ASN 30 -18.341 -17.172 -0.570 227 H CYS 31 H CYS 31 -16.947 -11.946 -0.368 228 HA CYS 31 HA CYS 31 -15.399 -13.604 1.338 229 HB2 CYS 31 HB2 CYS 31 -13.751 -11.725 1.155 230 HB3 CYS 31 HB3 CYS 31 -14.295 -12.472 -0.357 231 H SER 32 H SER 32 -14.487 -13.197 3.325 232 HA SER 32 HA SER 32 -15.294 -10.988 5.041 233 HB2 SER 32 HB2 SER 32 -16.179 -12.638 6.787 234 HB3 SER 32 HB3 SER 32 -17.236 -12.217 5.433 235 HG SER 32 HG SER 32 -17.397 -14.324 5.438 236 H LEU 33 H LEU 33 -13.146 -10.520 5.352 237 HA LEU 33 HA LEU 33 -11.532 -12.524 6.813 238 HB2 LEU 33 HB2 LEU 33 -10.651 -11.010 4.324 239 HB3 LEU 33 HB3 LEU 33 -9.504 -11.706 5.457 240 HG LEU 33 HG LEU 33 -11.579 -13.329 3.919 241 HD11 LEU 33 HD11 LEU 33 -9.633 -14.064 2.564 242 HD12 LEU 33 HD12 LEU 33 -8.611 -12.898 3.420 243 HD13 LEU 33 HD13 LEU 33 -9.943 -12.318 2.403 244 HD21 LEU 33 HD21 LEU 33 -9.175 -14.171 5.618 245 HD22 LEU 33 HD22 LEU 33 -10.144 -15.260 4.600 246 HD23 LEU 33 HD23 LEU 33 -10.890 -14.474 5.978 247 HA PRO 34 HA PRO 34 -10.820 -9.015 9.363 248 HB2 PRO 34 HB2 PRO 34 -8.195 -9.388 10.215 249 HB3 PRO 34 HB3 PRO 34 -9.616 -10.230 10.888 250 HG2 PRO 34 HG2 PRO 34 -7.672 -11.190 8.773 251 HG3 PRO 34 HG3 PRO 34 -8.342 -12.105 10.175 252 HD2 PRO 34 HD2 PRO 34 -9.343 -12.415 7.684 253 HD3 PRO 34 HD3 PRO 34 -10.452 -12.355 9.080 254 H SER 35 H SER 35 -8.199 -9.814 7.044 255 HA SER 35 HA SER 35 -6.951 -7.300 6.854 256 HB2 SER 35 HB2 SER 35 -6.308 -8.307 4.572 257 HB3 SER 35 HB3 SER 35 -5.831 -9.205 6.018 258 HG SER 35 HG SER 35 -7.078 -10.278 4.078 259 H CYS 36 H CYS 36 -9.391 -8.879 4.808 260 HA CYS 36 HA CYS 36 -9.956 -6.873 2.975 261 HB2 CYS 36 HB2 CYS 36 -10.713 -9.196 2.837 262 HB3 CYS 36 HB3 CYS 36 -11.733 -8.991 4.274 263 H GLN 37 H GLN 37 -11.877 -7.419 6.019 264 HA GLN 37 HA GLN 37 -13.146 -4.880 5.617 265 HB2 GLN 37 HB2 GLN 37 -14.299 -5.258 7.729 266 HB3 GLN 37 HB3 GLN 37 -14.356 -6.621 6.629 267 HG2 GLN 37 HG2 GLN 37 -12.237 -7.401 8.154 268 HG3 GLN 37 HG3 GLN 37 -13.022 -6.330 9.308 269 HE21 GLN 37 HE21 GLN 37 -14.146 -8.871 6.899 270 HE22 GLN 37 HE22 GLN 37 -15.238 -9.620 8.038 271 H LYS 38 H LYS 38 -10.218 -5.634 7.628 272 HA LYS 38 HA LYS 38 -10.413 -3.085 8.972 273 HB2 LYS 38 HB2 LYS 38 -8.285 -3.370 9.846 274 HB3 LYS 38 HB3 LYS 38 -8.966 -4.978 9.808 275 HG2 LYS 38 HG2 LYS 38 -7.680 -5.403 7.683 276 HG3 LYS 38 HG3 LYS 38 -6.894 -3.849 7.916 277 HD2 LYS 38 HD2 LYS 38 -6.810 -6.178 9.905 278 HD3 LYS 38 HD3 LYS 38 -5.564 -5.829 8.694 279 HE2 LYS 38 HE2 LYS 38 -5.233 -3.557 9.700 280 HE3 LYS 38 HE3 LYS 38 -6.422 -3.965 10.944 281 HZ1 LYS 38 HZ1 LYS 38 -3.819 -5.320 10.564 282 HZ2 LYS 38 HZ2 LYS 38 -4.928 -5.689 11.748 283 HZ3 LYS 38 HZ3 LYS 38 -4.213 -4.238 11.729 284 H MET 39 H MET 39 -9.046 -4.134 5.863 285 HA MET 39 HA MET 39 -7.717 -1.696 5.275 286 HB2 MET 39 HB2 MET 39 -8.699 -3.972 3.538 287 HB3 MET 39 HB3 MET 39 -7.856 -2.546 2.894 288 HG2 MET 39 HG2 MET 39 -6.726 -4.537 4.906 289 HG3 MET 39 HG3 MET 39 -6.330 -4.408 3.206 290 HE1 MET 39 HE1 MET 39 -3.954 -3.857 2.888 291 HE2 MET 39 HE2 MET 39 -2.948 -3.138 4.158 292 HE3 MET 39 HE3 MET 39 -3.863 -4.631 4.481 293 H LYS 40 H LYS 40 -11.183 -2.657 5.016 294 HA LYS 40 HA LYS 40 -12.000 -0.672 3.244 295 HB2 LYS 40 HB2 LYS 40 -13.459 -1.578 5.738 296 HB3 LYS 40 HB3 LYS 40 -14.166 -0.561 4.520 297 HG2 LYS 40 HG2 LYS 40 -13.312 -3.448 4.146 298 HG3 LYS 40 HG3 LYS 40 -14.958 -2.828 4.333 299 HD2 LYS 40 HD2 LYS 40 -14.268 -1.360 2.210 300 HD3 LYS 40 HD3 LYS 40 -13.035 -2.618 2.079 301 HE2 LYS 40 HE2 LYS 40 -14.915 -3.136 0.621 302 HE3 LYS 40 HE3 LYS 40 -14.732 -4.365 1.864 303 HZ1 LYS 40 HZ1 LYS 40 -16.733 -2.197 1.921 304 HZ2 LYS 40 HZ2 LYS 40 -16.583 -3.396 3.041 305 HZ3 LYS 40 HZ3 LYS 40 -17.002 -3.773 1.499 306 H ARG 41 H ARG 41 -11.046 -0.353 6.686 307 HA ARG 41 HA ARG 41 -12.027 2.267 7.074 308 HB2 ARG 41 HB2 ARG 41 -9.425 1.170 8.241 309 HB3 ARG 41 HB3 ARG 41 -10.418 2.442 8.929 310 HG2 ARG 41 HG2 ARG 41 -12.022 0.898 9.782 311 HG3 ARG 41 HG3 ARG 41 -11.457 -0.394 8.723 312 HD2 ARG 41 HD2 ARG 41 -10.301 -1.151 10.455 313 HD3 ARG 41 HD3 ARG 41 -9.121 0.090 10.091 314 HE ARG 41 HE ARG 41 -10.731 -0.233 12.406 315 HH11 ARG 41 HH11 ARG 41 -9.161 2.461 10.593 316 HH12 ARG 41 HH12 ARG 41 -8.976 3.382 12.032 317 HH21 ARG 41 HH21 ARG 41 -10.252 0.882 14.135 318 HH22 ARG 41 HH22 ARG 41 -9.608 2.489 14.148 319 H VAL 42 H VAL 42 -8.917 1.122 5.802 320 HA VAL 42 HA VAL 42 -7.573 3.602 5.622 321 HB VAL 42 HB VAL 42 -7.263 1.083 3.921 322 HG11 VAL 42 HG11 VAL 42 -5.267 3.323 4.412 323 HG12 VAL 42 HG12 VAL 42 -5.004 1.815 3.509 324 HG13 VAL 42 HG13 VAL 42 -6.132 3.009 2.883 325 HG21 VAL 42 HG21 VAL 42 -5.838 1.933 6.465 326 HG22 VAL 42 HG22 VAL 42 -6.985 0.577 6.331 327 HG23 VAL 42 HG23 VAL 42 -5.440 0.505 5.487 328 H VAL 43 H VAL 43 -9.448 1.774 3.075 329 HA VAL 43 HA VAL 43 -9.109 3.905 1.243 330 HB VAL 43 HB VAL 43 -9.595 1.585 0.570 331 HG11 VAL 43 HG11 VAL 43 -12.454 2.064 1.501 332 HG12 VAL 43 HG12 VAL 43 -11.823 0.643 0.635 333 HG13 VAL 43 HG13 VAL 43 -11.247 1.012 2.259 334 HG21 VAL 43 HG21 VAL 43 -11.305 2.232 -1.230 335 HG22 VAL 43 HG22 VAL 43 -11.406 3.798 -0.431 336 HG23 VAL 43 HG23 VAL 43 -9.862 3.237 -1.095 337 H GLN 44 H GLN 44 -11.739 3.217 3.596 338 HA GLN 44 HA GLN 44 -13.496 5.221 2.776 339 HB2 GLN 44 HB2 GLN 44 -14.073 3.509 4.449 340 HB3 GLN 44 HB3 GLN 44 -12.867 4.119 5.561 341 HG2 GLN 44 HG2 GLN 44 -15.154 4.748 6.203 342 HG3 GLN 44 HG3 GLN 44 -14.101 6.138 5.966 343 HE21 GLN 44 HE21 GLN 44 -15.659 7.689 5.403 344 HE22 GLN 44 HE22 GLN 44 -16.594 7.578 3.906 345 H HIS 45 H HIS 45 -10.764 5.431 5.044 346 HA HIS 45 HA HIS 45 -11.069 8.196 5.702 347 HB2 HIS 45 HB2 HIS 45 -9.910 6.713 7.143 348 HB3 HIS 45 HB3 HIS 45 -8.886 6.099 5.850 349 HD1 HIS 45 HD1 HIS 45 -9.135 9.172 8.165 350 HD2 HIS 45 HD2 HIS 45 -6.723 7.401 5.173 351 HE1 HIS 45 HE1 HIS 45 -6.953 10.430 8.145 352 H THR 46 H THR 46 -8.719 6.568 3.411 353 HA THR 46 HA THR 46 -7.711 8.971 2.433 354 HB THR 46 HB THR 46 -6.802 7.695 0.552 355 HG1 THR 46 HG1 THR 46 -8.028 5.438 1.735 356 HG21 THR 46 HG21 THR 46 -5.331 6.387 1.919 357 HG22 THR 46 HG22 THR 46 -6.557 6.150 3.159 358 HG23 THR 46 HG23 THR 46 -5.815 7.757 2.904 359 H LYS 47 H LYS 47 -10.734 7.471 1.444 360 HA LYS 47 HA LYS 47 -11.009 8.798 -1.076 361 HB2 LYS 47 HB2 LYS 47 -13.021 7.793 0.964 362 HB3 LYS 47 HB3 LYS 47 -13.560 8.714 -0.439 363 HG2 LYS 47 HG2 LYS 47 -12.680 7.090 -1.986 364 HG3 LYS 47 HG3 LYS 47 -11.879 6.193 -0.696 365 HD2 LYS 47 HD2 LYS 47 -14.102 5.694 0.322 366 HD3 LYS 47 HD3 LYS 47 -14.884 6.555 -1.019 367 HE2 LYS 47 HE2 LYS 47 -13.900 4.927 -2.633 368 HE3 LYS 47 HE3 LYS 47 -13.079 4.110 -1.308 369 HZ1 LYS 47 HZ1 LYS 47 -15.965 4.173 -1.832 370 HZ2 LYS 47 HZ2 LYS 47 -15.396 3.747 -0.380 371 HZ3 LYS 47 HZ3 LYS 47 -14.963 2.852 -1.697 372 H GLY 48 H GLY 48 -11.551 9.983 2.263 373 HA2 GLY 48 HA2 GLY 48 -12.462 12.604 1.248 374 HA3 GLY 48 HA3 GLY 48 -12.403 12.042 2.914 375 H CYS 49 H CYS 49 -9.403 11.202 2.118 376 HA CYS 49 HA CYS 49 -8.206 13.524 3.289 377 HB2 CYS 49 HB2 CYS 49 -7.055 10.995 2.114 378 HB3 CYS 49 HB3 CYS 49 -6.056 12.235 2.796 379 H LYS 50 H LYS 50 -8.962 15.105 1.704 380 HA LYS 50 HA LYS 50 -7.278 15.263 -0.772 381 HB2 LYS 50 HB2 LYS 50 -9.632 16.929 0.220 382 HB3 LYS 50 HB3 LYS 50 -8.799 17.157 -1.320 383 HG2 LYS 50 HG2 LYS 50 -10.356 14.646 -0.517 384 HG3 LYS 50 HG3 LYS 50 -10.920 15.933 -1.591 385 HD2 LYS 50 HD2 LYS 50 -8.910 15.501 -3.043 386 HD3 LYS 50 HD3 LYS 50 -8.580 14.041 -2.101 387 HE2 LYS 50 HE2 LYS 50 -11.216 14.620 -3.523 388 HE3 LYS 50 HE3 LYS 50 -9.884 13.733 -4.259 389 HZ1 LYS 50 HZ1 LYS 50 -11.433 12.880 -1.892 390 HZ2 LYS 50 HZ2 LYS 50 -10.089 12.093 -2.452 391 HZ3 LYS 50 HZ3 LYS 50 -11.430 12.217 -3.367 392 H ARG 51 H ARG 51 -7.513 16.595 2.431 393 HA ARG 51 HA ARG 51 -6.069 18.985 2.013 394 HB2 ARG 51 HB2 ARG 51 -5.776 19.058 4.401 395 HB3 ARG 51 HB3 ARG 51 -7.394 18.453 4.019 396 HG2 ARG 51 HG2 ARG 51 -6.284 16.076 4.307 397 HG3 ARG 51 HG3 ARG 51 -5.000 16.965 5.129 398 HD2 ARG 51 HD2 ARG 51 -6.715 17.941 6.673 399 HD3 ARG 51 HD3 ARG 51 -7.960 16.962 5.892 400 HE ARG 51 HE ARG 51 -6.040 16.170 7.868 401 HH11 ARG 51 HH11 ARG 51 -7.968 14.835 5.176 402 HH12 ARG 51 HH12 ARG 51 -7.546 13.187 5.505 403 HH21 ARG 51 HH21 ARG 51 -5.555 14.036 8.383 404 HH22 ARG 51 HH22 ARG 51 -6.014 12.749 7.361 405 H LYS 52 H LYS 52 -4.946 15.750 1.981 406 HA LYS 52 HA LYS 52 -2.286 15.851 2.727 407 HB2 LYS 52 HB2 LYS 52 -1.951 13.936 1.304 408 HB3 LYS 52 HB3 LYS 52 -3.551 13.816 2.050 409 HG2 LYS 52 HG2 LYS 52 -4.537 14.742 -0.094 410 HG3 LYS 52 HG3 LYS 52 -2.917 14.689 -0.808 411 HD2 LYS 52 HD2 LYS 52 -2.836 12.247 -0.565 412 HD3 LYS 52 HD3 LYS 52 -4.376 12.263 0.324 413 HE2 LYS 52 HE2 LYS 52 -4.848 11.661 -2.001 414 HE3 LYS 52 HE3 LYS 52 -5.509 13.256 -1.647 415 HZ1 LYS 52 HZ1 LYS 52 -4.550 13.535 -3.657 416 HZ2 LYS 52 HZ2 LYS 52 -3.261 12.574 -3.391 417 HZ3 LYS 52 HZ3 LYS 52 -3.337 14.097 -2.727 418 H THR 53 H THR 53 -3.715 17.458 -0.005 419 HA THR 53 HA THR 53 -1.437 17.577 -1.627 420 HB THR 53 HB THR 53 -3.824 17.997 -2.201 421 HG1 THR 53 HG1 THR 53 -1.742 18.895 -3.371 422 HG21 THR 53 HG21 THR 53 -4.775 20.234 -2.078 423 HG22 THR 53 HG22 THR 53 -3.354 20.828 -1.210 424 HG23 THR 53 HG23 THR 53 -4.427 19.638 -0.444 425 H ASN 54 H ASN 54 -2.152 19.236 1.355 426 HA ASN 54 HA ASN 54 0.245 21.010 1.037 427 HB2 ASN 54 HB2 ASN 54 -1.923 22.258 1.310 428 HB3 ASN 54 HB3 ASN 54 -2.200 21.348 2.812 429 HD21 ASN 54 HD21 ASN 54 -0.476 24.054 1.370 430 HD22 ASN 54 HD22 ASN 54 0.265 24.606 2.849 431 H GLY 55 H GLY 55 -1.829 19.255 3.416 432 HA2 GLY 55 HA2 GLY 55 0.430 17.987 4.665 433 HA3 GLY 55 HA3 GLY 55 -0.271 19.294 5.629 434 H GLY 56 H GLY 56 -0.492 16.155 4.803 435 HA2 GLY 56 HA2 GLY 56 -3.208 15.778 5.954 436 HA3 GLY 56 HA3 GLY 56 -2.774 14.899 4.472 437 H CYS 57 H CYS 57 -3.486 13.609 6.710 438 HA CYS 57 HA CYS 57 -1.619 12.779 8.576 439 HB2 CYS 57 HB2 CYS 57 -3.138 10.673 8.569 440 HB3 CYS 57 HB3 CYS 57 -3.879 12.236 8.880 441 HA PRO 58 HA PRO 58 1.261 10.201 6.494 442 HB2 PRO 58 HB2 PRO 58 1.686 8.083 8.213 443 HB3 PRO 58 HB3 PRO 58 2.297 9.738 8.490 444 HG2 PRO 58 HG2 PRO 58 -0.208 8.440 9.603 445 HG3 PRO 58 HG3 PRO 58 1.026 9.391 10.483 446 HD2 PRO 58 HD2 PRO 58 -1.297 10.506 9.642 447 HD3 PRO 58 HD3 PRO 58 0.235 11.432 9.557 448 H ILE 59 H ILE 59 -1.729 8.591 7.486 449 HA ILE 59 HA ILE 59 -1.409 6.129 6.335 450 HB ILE 59 HB ILE 59 -4.047 7.591 6.297 451 HG12 ILE 59 HG12 ILE 59 -2.623 6.184 8.576 452 HG13 ILE 59 HG13 ILE 59 -3.168 7.855 8.499 453 HG21 ILE 59 HG21 ILE 59 -5.038 5.330 6.421 454 HG22 ILE 59 HG22 ILE 59 -3.935 5.344 5.061 455 HG23 ILE 59 HG23 ILE 59 -3.451 4.575 6.580 456 HD11 ILE 59 HD11 ILE 59 -4.949 5.404 8.723 457 HD12 ILE 59 HD12 ILE 59 -4.642 6.640 9.945 458 HD13 ILE 59 HD13 ILE 59 -5.541 7.067 8.474 459 H CYS 60 H CYS 60 -2.569 9.101 4.505 460 HA CYS 60 HA CYS 60 -2.974 7.621 2.129 461 HB2 CYS 60 HB2 CYS 60 -2.159 10.461 1.881 462 HB3 CYS 60 HB3 CYS 60 -3.451 9.583 1.107 463 H LYS 61 H LYS 61 -0.012 9.059 3.463 464 HA LYS 61 HA LYS 61 1.489 8.846 0.972 465 HB2 LYS 61 HB2 LYS 61 2.160 10.429 2.762 466 HB3 LYS 61 HB3 LYS 61 2.515 9.062 3.832 467 HG2 LYS 61 HG2 LYS 61 4.230 8.250 2.165 468 HG3 LYS 61 HG3 LYS 61 3.837 9.622 1.131 469 HD2 LYS 61 HD2 LYS 61 5.873 10.130 2.340 470 HD3 LYS 61 HD3 LYS 61 4.587 11.171 2.927 471 HE2 LYS 61 HE2 LYS 61 5.747 10.424 4.859 472 HE3 LYS 61 HE3 LYS 61 4.241 9.512 4.845 473 HZ1 LYS 61 HZ1 LYS 61 5.547 7.646 3.818 474 HZ2 LYS 61 HZ2 LYS 61 6.060 8.049 5.305 475 HZ3 LYS 61 HZ3 LYS 61 6.914 8.564 4.001 476 H GLN 62 H GLN 62 1.384 6.879 4.033 477 HA GLN 62 HA GLN 62 3.032 4.866 2.892 478 HB2 GLN 62 HB2 GLN 62 2.493 3.446 4.741 479 HB3 GLN 62 HB3 GLN 62 3.039 5.054 5.182 480 HG2 GLN 62 HG2 GLN 62 1.376 4.782 6.702 481 HG3 GLN 62 HG3 GLN 62 0.519 5.608 5.416 482 HE21 GLN 62 HE21 GLN 62 -1.452 4.699 4.864 483 HE22 GLN 62 HE22 GLN 62 -1.849 3.010 5.166 484 H LEU 63 H LEU 63 -0.393 5.453 2.502 485 HA LEU 63 HA LEU 63 -1.064 2.863 1.470 486 HB2 LEU 63 HB2 LEU 63 -2.824 4.536 2.027 487 HB3 LEU 63 HB3 LEU 63 -2.180 5.632 0.813 488 HG LEU 63 HG LEU 63 -2.790 4.094 -1.003 489 HD11 LEU 63 HD11 LEU 63 -2.604 1.927 0.149 490 HD12 LEU 63 HD12 LEU 63 -4.237 2.144 -0.509 491 HD13 LEU 63 HD13 LEU 63 -3.945 2.362 1.228 492 HD21 LEU 63 HD21 LEU 63 -5.174 4.447 0.844 493 HD22 LEU 63 HD22 LEU 63 -5.142 4.407 -0.927 494 HD23 LEU 63 HD23 LEU 63 -4.439 5.783 -0.065 495 H ILE 64 H ILE 64 0.169 5.838 -0.095 496 HA ILE 64 HA ILE 64 0.283 4.803 -2.716 497 HB ILE 64 HB ILE 64 1.601 7.101 -1.268 498 HG12 ILE 64 HG12 ILE 64 -0.165 7.124 -3.753 499 HG13 ILE 64 HG13 ILE 64 -0.815 6.988 -2.115 500 HG21 ILE 64 HG21 ILE 64 2.277 6.274 -4.111 501 HG22 ILE 64 HG22 ILE 64 2.537 7.908 -3.473 502 HG23 ILE 64 HG23 ILE 64 3.383 6.556 -2.749 503 HD11 ILE 64 HD11 ILE 64 0.850 9.335 -3.047 504 HD12 ILE 64 HD12 ILE 64 -0.917 9.285 -2.828 505 HD13 ILE 64 HD13 ILE 64 0.149 9.095 -1.433 506 H ALA 65 H ALA 65 2.489 4.438 0.052 507 HA ALA 65 HA ALA 65 4.779 3.470 -1.273 508 HB1 ALA 65 HB1 ALA 65 4.624 4.084 1.163 509 HB2 ALA 65 HB2 ALA 65 3.897 2.479 1.441 510 HB3 ALA 65 HB3 ALA 65 5.524 2.607 0.782 511 H LEU 66 H LEU 66 1.934 1.615 -0.059 512 HA LEU 66 HA LEU 66 3.054 -0.889 -1.124 513 HB2 LEU 66 HB2 LEU 66 0.379 -0.197 0.138 514 HB3 LEU 66 HB3 LEU 66 0.699 -1.759 -0.599 515 HG LEU 66 HG LEU 66 2.012 -0.582 1.857 516 HD11 LEU 66 HD11 LEU 66 0.546 -3.211 1.363 517 HD12 LEU 66 HD12 LEU 66 -0.193 -1.757 2.050 518 HD13 LEU 66 HD13 LEU 66 1.105 -2.582 2.928 519 HD21 LEU 66 HD21 LEU 66 3.884 -1.633 0.740 520 HD22 LEU 66 HD22 LEU 66 2.903 -3.045 0.295 521 HD23 LEU 66 HD23 LEU 66 3.329 -2.746 1.987 522 H ALA 67 H ALA 67 0.454 1.406 -2.074 523 HA ALA 67 HA ALA 67 -0.665 0.049 -4.193 524 HB1 ALA 67 HB1 ALA 67 -1.306 2.302 -5.001 525 HB2 ALA 67 HB2 ALA 67 -1.460 2.173 -3.241 526 HB3 ALA 67 HB3 ALA 67 -0.071 3.009 -3.937 527 H ALA 68 H ALA 68 2.429 1.811 -4.242 528 HA ALA 68 HA ALA 68 2.897 1.930 -6.995 529 HB1 ALA 68 HB1 ALA 68 4.901 1.449 -4.740 530 HB2 ALA 68 HB2 ALA 68 5.305 1.998 -6.386 531 HB3 ALA 68 HB3 ALA 68 4.313 3.025 -5.338 532 H TYR 69 H TYR 69 2.996 -0.932 -4.945 533 HA TYR 69 HA TYR 69 4.597 -2.544 -6.824 534 HB2 TYR 69 HB2 TYR 69 3.057 -3.092 -4.297 535 HB3 TYR 69 HB3 TYR 69 3.625 -4.398 -5.343 536 HD1 TYR 69 HD1 TYR 69 4.803 -1.561 -3.233 537 HD2 TYR 69 HD2 TYR 69 5.792 -5.228 -5.222 538 HE1 TYR 69 HE1 TYR 69 7.127 -1.440 -2.333 539 HE2 TYR 69 HE2 TYR 69 8.079 -5.147 -4.307 540 HH TYR 69 HH TYR 69 9.347 -2.255 -2.770 541 H HIS 70 H HIS 70 1.116 -2.274 -5.792 542 HA HIS 70 HA HIS 70 0.250 -4.265 -7.669 543 HB2 HIS 70 HB2 HIS 70 -1.296 -3.899 -5.996 544 HB3 HIS 70 HB3 HIS 70 -1.108 -2.154 -6.029 545 HD1 HIS 70 HD1 HIS 70 -3.189 -4.918 -7.768 546 HD2 HIS 70 HD2 HIS 70 -2.398 -0.792 -7.792 547 HE1 HIS 70 HE1 HIS 70 -4.995 -3.852 -9.192 548 H ALA 71 H ALA 71 0.769 -0.701 -8.015 549 HA ALA 71 HA ALA 71 -0.498 -0.406 -10.479 550 HB1 ALA 71 HB1 ALA 71 2.016 0.993 -9.481 551 HB2 ALA 71 HB2 ALA 71 0.976 1.546 -10.814 552 HB3 ALA 71 HB3 ALA 71 0.333 1.491 -9.172 553 H LYS 72 H LYS 72 2.676 -1.872 -9.942 554 HA LYS 72 HA LYS 72 3.104 -2.150 -12.862 555 HB2 LYS 72 HB2 LYS 72 5.289 -3.053 -12.243 556 HB3 LYS 72 HB3 LYS 72 5.018 -1.472 -11.526 557 HG2 LYS 72 HG2 LYS 72 4.613 -2.418 -9.367 558 HG3 LYS 72 HG3 LYS 72 4.520 -4.058 -9.993 559 HD2 LYS 72 HD2 LYS 72 6.723 -4.364 -10.019 560 HD3 LYS 72 HD3 LYS 72 7.100 -2.737 -10.585 561 HE2 LYS 72 HE2 LYS 72 6.323 -3.458 -7.715 562 HE3 LYS 72 HE3 LYS 72 7.974 -3.296 -8.305 563 HZ1 LYS 72 HZ1 LYS 72 7.502 -1.011 -8.904 564 HZ2 LYS 72 HZ2 LYS 72 7.411 -1.298 -7.303 565 HZ3 LYS 72 HZ3 LYS 72 6.010 -1.089 -8.193 566 H HIS 73 H HIS 73 1.244 -3.899 -10.741 567 HA HIS 73 HA HIS 73 1.751 -6.469 -12.155 568 HB2 HIS 73 HB2 HIS 73 1.052 -6.117 -9.219 569 HB3 HIS 73 HB3 HIS 73 1.217 -7.650 -10.068 570 HD1 HIS 73 HD1 HIS 73 3.088 -6.406 -7.524 571 HD2 HIS 73 HD2 HIS 73 4.039 -6.953 -11.588 572 HE1 HIS 73 HE1 HIS 73 5.609 -6.594 -7.658 573 H CYS 74 H CYS 74 -0.374 -3.998 -11.865 574 HA CYS 74 HA CYS 74 -2.870 -5.236 -11.382 575 HB2 CYS 74 HB2 CYS 74 -2.134 -2.751 -11.323 576 HB3 CYS 74 HB3 CYS 74 -2.469 -2.751 -13.074 577 H GLN 75 H GLN 75 -4.574 -4.766 -13.163 578 HA GLN 75 HA GLN 75 -4.373 -6.896 -15.092 579 HB2 GLN 75 HB2 GLN 75 -6.410 -4.646 -14.804 580 HB3 GLN 75 HB3 GLN 75 -6.612 -6.048 -15.846 581 HG2 GLN 75 HG2 GLN 75 -6.457 -6.028 -12.811 582 HG3 GLN 75 HG3 GLN 75 -7.874 -6.338 -13.813 583 HE21 GLN 75 HE21 GLN 75 -7.666 -8.319 -15.380 584 HE22 GLN 75 HE22 GLN 75 -6.769 -9.691 -14.763 585 H GLU 76 H GLU 76 -4.610 -3.346 -15.579 586 HA GLU 76 HA GLU 76 -2.915 -3.322 -17.894 587 HB2 GLU 76 HB2 GLU 76 -5.878 -2.634 -18.188 588 HB3 GLU 76 HB3 GLU 76 -4.640 -2.089 -19.300 589 HG2 GLU 76 HG2 GLU 76 -4.064 -4.521 -19.739 590 HG3 GLU 76 HG3 GLU 76 -5.534 -4.946 -18.837 591 H ASN 77 H ASN 77 -2.872 -0.858 -18.574 592 HA ASN 77 HA ASN 77 -2.396 0.772 -16.265 593 HB2 ASN 77 HB2 ASN 77 -2.644 1.706 -19.145 594 HB3 ASN 77 HB3 ASN 77 -1.862 2.557 -17.822 595 HD21 ASN 77 HD21 ASN 77 -1.194 0.821 -20.538 596 HD22 ASN 77 HD22 ASN 77 0.422 0.294 -20.088 597 H LYS 78 H LYS 78 -5.199 -0.019 -16.286 598 HA LYS 78 HA LYS 78 -6.575 2.591 -16.215 599 HB2 LYS 78 HB2 LYS 78 -8.545 1.749 -17.392 600 HB3 LYS 78 HB3 LYS 78 -7.122 1.784 -18.413 601 HG2 LYS 78 HG2 LYS 78 -7.024 -0.816 -17.512 602 HG3 LYS 78 HG3 LYS 78 -8.762 -0.545 -17.500 603 HD2 LYS 78 HD2 LYS 78 -6.910 -0.007 -19.868 604 HD3 LYS 78 HD3 LYS 78 -7.826 -1.492 -19.643 605 HE2 LYS 78 HE2 LYS 78 -9.948 -0.305 -19.790 606 HE3 LYS 78 HE3 LYS 78 -9.118 1.262 -19.838 607 HZ1 LYS 78 HZ1 LYS 78 -9.766 0.523 -22.051 608 HZ2 LYS 78 HZ2 LYS 78 -8.886 -0.843 -21.896 609 HZ3 LYS 78 HZ3 LYS 78 -8.121 0.611 -21.943 610 H CYS 79 H CYS 79 -5.393 1.059 -14.213 611 HA CYS 79 HA CYS 79 -6.601 -0.780 -12.779 612 HB2 CYS 79 HB2 CYS 79 -5.405 1.829 -11.790 613 HB3 CYS 79 HB3 CYS 79 -5.498 0.344 -10.854 614 HA PRO 80 HA PRO 80 -10.508 0.848 -11.371 615 HB2 PRO 80 HB2 PRO 80 -11.075 -0.854 -9.279 616 HB3 PRO 80 HB3 PRO 80 -11.120 -1.350 -11.000 617 HG2 PRO 80 HG2 PRO 80 -8.892 -1.769 -9.000 618 HG3 PRO 80 HG3 PRO 80 -9.578 -2.952 -10.154 619 HD2 PRO 80 HD2 PRO 80 -7.283 -1.565 -10.681 620 HD3 PRO 80 HD3 PRO 80 -8.448 -1.982 -11.964 621 H VAL 81 H VAL 81 -7.887 0.358 -9.044 622 HA VAL 81 HA VAL 81 -8.951 2.004 -6.941 623 HB VAL 81 HB VAL 81 -6.187 0.852 -7.527 624 HG11 VAL 81 HG11 VAL 81 -5.766 1.176 -5.094 625 HG12 VAL 81 HG12 VAL 81 -5.867 2.695 -5.972 626 HG13 VAL 81 HG13 VAL 81 -7.248 2.142 -4.982 627 HG21 VAL 81 HG21 VAL 81 -7.737 -0.947 -7.195 628 HG22 VAL 81 HG22 VAL 81 -6.873 -0.754 -5.676 629 HG23 VAL 81 HG23 VAL 81 -8.522 -0.115 -5.844 630 HA PRO 82 HA PRO 82 -7.764 5.778 -9.039 631 HB2 PRO 82 HB2 PRO 82 -8.021 7.619 -7.009 632 HB3 PRO 82 HB3 PRO 82 -9.401 6.868 -7.852 633 HG2 PRO 82 HG2 PRO 82 -8.184 6.073 -5.199 634 HG3 PRO 82 HG3 PRO 82 -9.910 6.258 -5.625 635 HD2 PRO 82 HD2 PRO 82 -8.658 3.835 -5.572 636 HD3 PRO 82 HD3 PRO 82 -9.941 4.190 -6.748 637 H PHE 83 H PHE 83 -6.239 5.016 -5.876 638 HA PHE 83 HA PHE 83 -4.083 6.862 -6.185 639 HB2 PHE 83 HB2 PHE 83 -4.699 4.528 -4.411 640 HB3 PHE 83 HB3 PHE 83 -3.037 5.081 -4.517 641 HD1 PHE 83 HD1 PHE 83 -6.196 7.233 -4.576 642 HD2 PHE 83 HD2 PHE 83 -2.650 6.015 -2.444 643 HE1 PHE 83 HE1 PHE 83 -6.600 8.994 -2.908 644 HE2 PHE 83 HE2 PHE 83 -3.011 7.859 -0.813 645 HZ PHE 83 HZ PHE 83 -5.014 9.330 -1.023 646 H CYS 84 H CYS 84 -4.624 3.622 -7.435 647 HA CYS 84 HA CYS 84 -1.974 2.916 -8.133 648 HB2 CYS 84 HB2 CYS 84 -4.237 1.546 -8.121 649 HB3 CYS 84 HB3 CYS 84 -4.523 2.248 -9.698 650 H LEU 85 H LEU 85 -4.594 4.217 -10.171 651 HA LEU 85 HA LEU 85 -2.902 4.875 -12.356 652 HB2 LEU 85 HB2 LEU 85 -4.850 6.050 -13.303 653 HB3 LEU 85 HB3 LEU 85 -5.134 4.404 -12.782 654 HG LEU 85 HG LEU 85 -6.137 5.449 -10.637 655 HD11 LEU 85 HD11 LEU 85 -7.033 7.633 -10.776 656 HD12 LEU 85 HD12 LEU 85 -6.580 7.839 -12.480 657 HD13 LEU 85 HD13 LEU 85 -5.353 7.837 -11.213 658 HD21 LEU 85 HD21 LEU 85 -7.369 4.288 -12.497 659 HD22 LEU 85 HD22 LEU 85 -7.673 5.864 -13.225 660 HD23 LEU 85 HD23 LEU 85 -8.316 5.471 -11.612 661 H ASN 86 H ASN 86 -3.700 6.668 -9.448 662 HA ASN 86 HA ASN 86 -2.795 9.238 -10.398 663 HB2 ASN 86 HB2 ASN 86 -3.016 8.096 -7.589 664 HB3 ASN 86 HB3 ASN 86 -2.409 9.706 -7.928 665 HD21 ASN 86 HD21 ASN 86 -4.385 9.945 -6.282 666 HD22 ASN 86 HD22 ASN 86 -5.859 10.407 -7.118 667 H ILE 87 H ILE 87 -1.116 6.502 -8.655 668 HA ILE 87 HA ILE 87 1.431 7.734 -8.473 669 HB ILE 87 HB ILE 87 0.404 4.887 -8.571 670 HG12 ILE 87 HG12 ILE 87 1.843 6.381 -6.347 671 HG13 ILE 87 HG13 ILE 87 0.118 6.575 -6.602 672 HG21 ILE 87 HG21 ILE 87 2.625 4.662 -9.549 673 HG22 ILE 87 HG22 ILE 87 3.334 5.660 -8.257 674 HG23 ILE 87 HG23 ILE 87 2.647 4.062 -7.905 675 HD11 ILE 87 HD11 ILE 87 0.364 4.940 -4.939 676 HD12 ILE 87 HD12 ILE 87 -0.161 4.083 -6.393 677 HD13 ILE 87 HD13 ILE 87 1.546 4.004 -5.878 678 H LYS 88 H LYS 88 -0.028 5.714 -11.105 679 HA LYS 88 HA LYS 88 2.259 5.890 -12.745 680 HB2 LYS 88 HB2 LYS 88 -0.076 4.474 -12.888 681 HB3 LYS 88 HB3 LYS 88 -0.440 5.739 -14.059 682 HG2 LYS 88 HG2 LYS 88 0.525 3.934 -15.272 683 HG3 LYS 88 HG3 LYS 88 1.778 5.175 -15.196 684 HD2 LYS 88 HD2 LYS 88 2.806 3.934 -13.227 685 HD3 LYS 88 HD3 LYS 88 1.579 2.706 -13.406 686 HE2 LYS 88 HE2 LYS 88 3.824 3.418 -15.346 687 HE3 LYS 88 HE3 LYS 88 3.617 1.933 -14.422 688 HZ1 LYS 88 HZ1 LYS 88 2.971 1.413 -16.535 689 HZ2 LYS 88 HZ2 LYS 88 2.097 2.788 -16.770 690 HZ3 LYS 88 HZ3 LYS 88 1.520 1.613 -15.771 691 H GLN 89 H GLN 89 -0.203 8.326 -12.154 692 HA GLN 89 HA GLN 89 0.564 9.880 -14.529 693 HB2 GLN 89 HB2 GLN 89 -1.293 10.364 -12.174 694 HB3 GLN 89 HB3 GLN 89 -0.963 11.610 -13.370 695 HG2 GLN 89 HG2 GLN 89 -1.878 8.844 -14.218 696 HG3 GLN 89 HG3 GLN 89 -3.004 10.071 -13.669 697 HE21 GLN 89 HE21 GLN 89 -1.639 8.780 -16.487 698 HE22 GLN 89 HE22 GLN 89 -1.741 10.209 -17.492 699 H LYS 90 H LYS 90 1.950 9.406 -11.503 700 HA LYS 90 HA LYS 90 3.506 11.965 -11.786 701 HB2 LYS 90 HB2 LYS 90 3.685 12.215 -9.401 702 HB3 LYS 90 HB3 LYS 90 2.022 12.268 -9.964 703 HG2 LYS 90 HG2 LYS 90 1.816 9.825 -9.257 704 HG3 LYS 90 HG3 LYS 90 3.393 9.988 -8.480 705 HD2 LYS 90 HD2 LYS 90 2.601 11.730 -7.037 706 HD3 LYS 90 HD3 LYS 90 1.045 11.798 -7.898 707 HE2 LYS 90 HE2 LYS 90 0.605 9.434 -7.281 708 HE3 LYS 90 HE3 LYS 90 2.124 9.402 -6.360 709 HZ1 LYS 90 HZ1 LYS 90 0.300 9.904 -4.879 710 HZ2 LYS 90 HZ2 LYS 90 -0.181 11.167 -5.843 711 HZ3 LYS 90 HZ3 LYS 90 1.239 11.263 -5.038 712 H GLY 91 H GLY 91 4.818 10.558 -13.187 713 HA2 GLY 91 HA2 GLY 91 6.947 9.804 -13.478 714 HA3 GLY 91 HA3 GLY 91 7.189 9.773 -11.732 715 H GLY 92 H GLY 92 4.567 7.886 -11.717 716 HA2 GLY 92 HA2 GLY 92 4.297 5.644 -11.420 717 HA3 GLY 92 HA3 GLY 92 4.899 5.558 -13.079 718 H SER 93 H SER 93 6.686 6.371 -10.026 719 HA SER 93 HA SER 93 8.267 3.888 -10.469 720 HB2 SER 93 HB2 SER 93 10.324 5.131 -9.908 721 HB3 SER 93 HB3 SER 93 9.565 5.663 -11.417 722 HG SER 93 HG SER 93 9.445 6.915 -8.875 723 H GLY 94 H GLY 94 6.700 5.974 -8.178 724 HA2 GLY 94 HA2 GLY 94 6.392 4.122 -6.199 725 HA3 GLY 94 HA3 GLY 94 7.992 4.810 -5.856 726 H GLY 95 H GLY 95 8.108 7.233 -5.892 727 HA2 GLY 95 HA2 GLY 95 5.933 8.995 -5.753 728 HA3 GLY 95 HA3 GLY 95 6.113 8.351 -4.119 729 H GLY 96 H GLY 96 9.237 8.271 -5.132 730 HA2 GLY 96 HA2 GLY 96 11.064 9.526 -4.736 731 HA3 GLY 96 HA3 GLY 96 10.148 10.852 -5.454 732 H THR 97 H THR 97 9.145 9.333 -2.370 733 HA THR 97 HA THR 97 9.122 11.858 -1.016 734 HB THR 97 HB THR 97 8.362 10.563 0.899 735 HG1 THR 97 HG1 THR 97 9.731 8.768 0.558 736 HG21 THR 97 HG21 THR 97 6.740 11.037 -0.945 737 HG22 THR 97 HG22 THR 97 6.345 9.574 -0.025 738 HG23 THR 97 HG23 THR 97 7.077 9.435 -1.631 739 H GLY 98 H GLY 98 11.435 12.405 -1.486 740 HA2 GLY 98 HA2 GLY 98 13.292 13.059 -0.103 741 HA3 GLY 98 HA3 GLY 98 13.227 11.493 0.706 742 H GLY 99 H GLY 99 12.950 9.823 -1.616 743 HA2 GLY 99 HA2 GLY 99 14.017 9.127 -3.577 744 HA3 GLY 99 HA3 GLY 99 15.251 10.370 -3.384 745 H GLY 100 H GLY 100 15.676 9.582 -0.466 746 HA2 GLY 100 HA2 GLY 100 16.439 7.628 0.684 747 HA3 GLY 100 HA3 GLY 100 17.065 6.957 -0.834 748 H SER 101 H SER 101 17.693 8.871 1.898 749 HA SER 101 HA SER 101 20.376 9.617 0.975 750 HB2 SER 101 HB2 SER 101 18.413 11.548 2.287 751 HB3 SER 101 HB3 SER 101 20.102 11.895 1.876 752 HG SER 101 HG SER 101 18.554 12.650 0.319 753 H GLY 102 H GLY 102 21.433 10.721 3.192 754 HA2 GLY 102 HA2 GLY 102 21.902 10.487 5.420 755 HA3 GLY 102 HA3 GLY 102 20.648 9.261 5.607 756 H THR 103 H THR 103 22.300 8.276 2.918 757 HA THR 103 HA THR 103 24.748 7.286 3.723 758 HB THR 103 HB THR 103 23.452 5.828 5.281 759 HG1 THR 103 HG1 THR 103 24.464 4.039 4.782 760 HG21 THR 103 HG21 THR 103 22.126 4.725 2.774 761 HG22 THR 103 HG22 THR 103 21.336 5.612 4.092 762 HG23 THR 103 HG23 THR 103 22.051 4.013 4.394 763 H ILE 104 H ILE 104 25.286 5.466 2.141 764 HA ILE 104 HA ILE 104 24.037 5.819 -0.522 765 HB ILE 104 HB ILE 104 25.939 7.280 -0.332 766 HG12 ILE 104 HG12 ILE 104 27.311 6.554 -2.177 767 HG13 ILE 104 HG13 ILE 104 26.701 4.916 -2.084 768 HG21 ILE 104 HG21 ILE 104 27.268 6.191 1.426 769 HG22 ILE 104 HG22 ILE 104 27.645 4.850 0.320 770 HG23 ILE 104 HG23 ILE 104 28.233 6.478 -0.022 771 HD11 ILE 104 HD11 ILE 104 25.650 6.268 -3.904 772 HD12 ILE 104 HD12 ILE 104 24.448 5.677 -2.747 773 HD13 ILE 104 HD13 ILE 104 24.997 7.371 -2.682 774 H GLU 105 H GLU 105 25.000 3.798 1.913 775 HA GLU 105 HA GLU 105 24.739 1.381 0.215 776 HB2 GLU 105 HB2 GLU 105 26.690 1.793 2.515 777 HB3 GLU 105 HB3 GLU 105 26.370 0.236 1.763 778 HG2 GLU 105 HG2 GLU 105 27.616 2.631 0.396 779 HG3 GLU 105 HG3 GLU 105 28.434 1.172 0.929 780 H GLY 106 H GLY 106 24.744 -0.461 2.423 781 HA2 GLY 106 HA2 GLY 106 23.498 -1.277 4.137 782 HA3 GLY 106 HA3 GLY 106 22.621 0.257 4.266 783 H ARG 107 H ARG 107 22.273 -0.272 1.118 784 HA ARG 107 HA ARG 107 19.606 -1.557 1.350 785 HB2 ARG 107 HB2 ARG 107 19.120 -0.664 -0.721 786 HB3 ARG 107 HB3 ARG 107 19.696 0.611 0.345 787 HG2 ARG 107 HG2 ARG 107 21.829 0.732 -0.826 788 HG3 ARG 107 HG3 ARG 107 21.461 -0.737 -1.741 789 HD2 ARG 107 HD2 ARG 107 20.836 0.759 -3.321 790 HD3 ARG 107 HD3 ARG 107 19.310 0.496 -2.455 791 HE ARG 107 HE ARG 107 19.272 2.731 -1.974 792 HH11 ARG 107 HH11 ARG 107 22.701 1.902 -2.514 793 HH12 ARG 107 HH12 ARG 107 23.250 3.498 -2.284 794 HH21 ARG 107 HH21 ARG 107 19.981 4.890 -1.959 795 HH22 ARG 107 HH22 ARG 107 21.641 5.288 -1.981 796 H GLY 108 H GLY 108 18.948 -3.237 -0.182 797 HA2 GLY 108 HA2 GLY 108 20.354 -4.430 -2.203 798 HA3 GLY 108 HA3 GLY 108 21.062 -5.126 -0.727 799 H ASP 109 H ASP 109 19.877 -6.484 0.502 800 HA ASP 109 HA ASP 109 18.459 -8.439 0.183 801 HB2 ASP 109 HB2 ASP 109 18.788 -7.380 2.405 802 HB3 ASP 109 HB3 ASP 109 17.304 -6.455 2.175 803 H GLY 110 H GLY 110 17.306 -8.763 -1.699 804 HA2 GLY 110 HA2 GLY 110 15.635 -8.830 -3.198 805 HA3 GLY 110 HA3 GLY 110 14.612 -8.781 -1.775 806 H GLY 111 H GLY 111 16.316 -5.853 -2.261 807 HA2 GLY 111 HA2 GLY 111 15.751 -3.788 -3.113 808 HA3 GLY 111 HA3 GLY 111 14.502 -4.545 -4.109 809 H THR 112 H THR 112 14.176 -5.422 -0.741 810 HA THR 112 HA THR 112 11.793 -3.746 -0.525 811 HB THR 112 HB THR 112 11.439 -5.189 1.499 812 HG1 THR 112 HG1 THR 112 13.545 -5.945 1.927 813 HG21 THR 112 HG21 THR 112 11.942 -6.685 -1.115 814 HG22 THR 112 HG22 THR 112 10.522 -5.669 -0.784 815 HG23 THR 112 HG23 THR 112 10.823 -7.138 0.179 816 H THR 113 H THR 113 14.450 -2.414 -0.369 817 HA THR 113 HA THR 113 15.249 -1.726 2.189 818 HB THR 113 HB THR 113 15.174 0.276 -0.076 819 HG1 THR 113 HG1 THR 113 16.541 -2.188 0.075 820 HG21 THR 113 HG21 THR 113 16.185 1.005 2.055 821 HG22 THR 113 HG22 THR 113 17.386 0.889 0.769 822 HG23 THR 113 HG23 THR 113 17.295 -0.385 2.012 823 H PHE 114 H PHE 114 12.716 -0.172 0.230 824 HA PHE 114 HA PHE 114 11.901 1.872 1.805 825 HB2 PHE 114 HB2 PHE 114 10.011 1.997 0.537 826 HB3 PHE 114 HB3 PHE 114 11.060 1.076 -0.519 827 HD1 PHE 114 HD1 PHE 114 7.880 1.208 1.139 828 HD2 PHE 114 HD2 PHE 114 10.816 -1.568 -0.381 829 HE1 PHE 114 HE1 PHE 114 6.204 -0.625 1.247 830 HE2 PHE 114 HE2 PHE 114 9.140 -3.400 -0.216 831 HZ PHE 114 HZ PHE 114 6.852 -2.935 0.586 832 H GLU 115 H GLU 115 11.402 -1.505 2.723 833 HA GLU 115 HA GLU 115 9.111 -1.148 4.357 834 HB2 GLU 115 HB2 GLU 115 11.408 -3.128 4.550 835 HB3 GLU 115 HB3 GLU 115 9.939 -3.172 5.540 836 HG2 GLU 115 HG2 GLU 115 8.625 -3.022 3.303 837 HG3 GLU 115 HG3 GLU 115 10.135 -3.480 2.513 838 H HIS 116 H HIS 116 12.401 -0.035 4.838 839 HA HIS 116 HA HIS 116 12.428 0.113 7.656 840 HB2 HIS 116 HB2 HIS 116 14.197 1.516 7.527 841 HB3 HIS 116 HB3 HIS 116 14.317 0.678 5.993 842 HD1 HIS 116 HD1 HIS 116 13.655 4.154 7.469 843 HD2 HIS 116 HD2 HIS 116 13.601 2.162 3.760 844 HE1 HIS 116 HE1 HIS 116 13.767 5.959 5.689 845 H LEU 117 H LEU 117 10.556 2.067 5.341 846 HA LEU 117 HA LEU 117 10.020 4.301 7.048 847 HB2 LEU 117 HB2 LEU 117 8.561 3.062 4.710 848 HB3 LEU 117 HB3 LEU 117 7.861 4.379 5.631 849 HG LEU 117 HG LEU 117 10.126 5.625 5.070 850 HD11 LEU 117 HD11 LEU 117 10.944 5.024 2.811 851 HD12 LEU 117 HD12 LEU 117 9.840 3.651 2.748 852 HD13 LEU 117 HD13 LEU 117 11.169 3.662 3.924 853 HD21 LEU 117 HD21 LEU 117 7.872 5.110 3.083 854 HD22 LEU 117 HD22 LEU 117 8.994 6.474 2.997 855 HD23 LEU 117 HD23 LEU 117 7.892 6.335 4.375 856 H TRP 118 H TRP 118 8.811 0.953 7.187 857 HA TRP 118 HA TRP 118 6.333 1.581 8.500 858 HB2 TRP 118 HB2 TRP 118 7.980 -0.964 8.642 859 HB3 TRP 118 HB3 TRP 118 6.294 -0.772 9.117 860 HD1 TRP 118 HD1 TRP 118 7.977 -2.345 6.548 861 HE1 TRP 118 HE1 TRP 118 6.608 -2.471 4.339 862 HE3 TRP 118 HE3 TRP 118 4.405 1.162 7.523 863 HZ2 TRP 118 HZ2 TRP 118 4.530 -1.010 3.055 864 HZ3 TRP 118 HZ3 TRP 118 2.660 1.654 5.877 865 HH2 TRP 118 HH2 TRP 118 2.746 0.671 3.585 866 H SER 119 H SER 119 9.681 1.430 9.591 867 HA SER 119 HA SER 119 9.198 1.109 12.346 868 HB2 SER 119 HB2 SER 119 11.449 2.643 11.002 869 HB3 SER 119 HB3 SER 119 11.463 1.907 12.610 870 HG SER 119 HG SER 119 12.216 0.250 11.659 871 H SER 120 H SER 120 8.048 3.608 10.452 872 HA SER 120 HA SER 120 7.876 5.501 12.718 873 HB2 SER 120 HB2 SER 120 8.296 6.232 9.794 874 HB3 SER 120 HB3 SER 120 8.161 7.351 11.164 875 HG SER 120 HG SER 120 10.346 6.942 10.598 876 H LEU 121 H LEU 121 6.092 3.295 11.367 877 HA LEU 121 HA LEU 121 3.834 4.693 10.213 878 HB2 LEU 121 HB2 LEU 121 4.551 2.267 9.823 879 HB3 LEU 121 HB3 LEU 121 4.036 1.909 11.463 880 HG LEU 121 HG LEU 121 1.682 2.526 10.815 881 HD11 LEU 121 HD11 LEU 121 1.236 2.670 8.329 882 HD12 LEU 121 HD12 LEU 121 2.966 2.921 8.079 883 HD13 LEU 121 HD13 LEU 121 2.031 4.104 9.015 884 HD21 LEU 121 HD21 LEU 121 3.001 0.401 9.089 885 HD22 LEU 121 HD22 LEU 121 1.263 0.565 9.400 886 HD23 LEU 121 HD23 LEU 121 2.370 0.203 10.727 887 H GLU 122 H GLU 122 1.606 4.586 11.306 888 HA GLU 122 HA GLU 122 1.568 5.923 13.712 889 HB2 GLU 122 HB2 GLU 122 -0.265 5.756 12.004 890 HB3 GLU 122 HB3 GLU 122 -0.660 4.148 12.634 891 HG2 GLU 122 HG2 GLU 122 -1.104 5.150 14.864 892 HG3 GLU 122 HG3 GLU 122 -0.653 6.742 14.234 893 HA PRO 123 HA PRO 123 2.792 2.472 16.358 894 HB2 PRO 123 HB2 PRO 123 2.467 3.650 18.822 895 HB3 PRO 123 HB3 PRO 123 3.820 4.013 17.699 896 HG2 PRO 123 HG2 PRO 123 1.209 5.544 18.024 897 HG3 PRO 123 HG3 PRO 123 2.876 6.204 18.051 898 HD2 PRO 123 HD2 PRO 123 1.432 6.273 15.799 899 HD3 PRO 123 HD3 PRO 123 3.163 5.823 15.715 900 H ASP 124 H ASP 124 -0.353 3.974 16.436 901 HA ASP 124 HA ASP 124 -1.565 2.204 18.383 902 HB2 ASP 124 HB2 ASP 124 -2.750 3.869 16.137 903 HB3 ASP 124 HB3 ASP 124 -3.700 3.015 17.348 904 H SER 125 H SER 125 -0.768 1.941 14.991 905 HA SER 125 HA SER 125 -1.120 0.442 13.371 906 HB2 SER 125 HB2 SER 125 -0.875 -1.866 13.932 907 HB3 SER 125 HB3 SER 125 0.118 -0.918 15.047 908 HG SER 125 HG SER 125 -1.843 -1.066 16.468 909 H THR 126 H THR 126 -3.698 1.456 15.009 910 HA THR 126 HA THR 126 -5.828 -0.095 14.796 911 HB THR 126 HB THR 126 -5.465 2.212 15.713 912 HG1 THR 126 HG1 THR 126 -7.436 2.350 16.055 913 HG21 THR 126 HG21 THR 126 -6.406 3.137 12.975 914 HG22 THR 126 HG22 THR 126 -4.741 3.295 13.607 915 HG23 THR 126 HG23 THR 126 -6.057 4.152 14.389 916 H TYR 127 H TYR 127 -4.209 0.823 11.896 917 HA TYR 127 HA TYR 127 -6.510 -0.227 10.309 918 HB2 TYR 127 HB2 TYR 127 -6.133 1.470 8.642 919 HB3 TYR 127 HB3 TYR 127 -6.470 2.218 10.190 920 HD1 TYR 127 HD1 TYR 127 -3.900 1.640 7.616 921 HD2 TYR 127 HD2 TYR 127 -4.708 3.497 11.401 922 HE1 TYR 127 HE1 TYR 127 -1.635 2.605 7.605 923 HE2 TYR 127 HE2 TYR 127 -2.532 4.647 11.298 924 HH TYR 127 HH TYR 127 -0.079 3.784 8.878 925 H PHE 128 H PHE 128 -3.109 -0.564 10.967 926 HA PHE 128 HA PHE 128 -2.777 -2.286 8.567 927 HB2 PHE 128 HB2 PHE 128 -1.290 0.121 9.320 928 HB3 PHE 128 HB3 PHE 128 -0.251 -1.272 9.239 929 HD1 PHE 128 HD1 PHE 128 1.003 -1.138 7.256 930 HD2 PHE 128 HD2 PHE 128 -3.195 -0.177 7.104 931 HE1 PHE 128 HE1 PHE 128 1.134 -0.859 4.813 932 HE2 PHE 128 HE2 PHE 128 -3.058 0.149 4.688 933 HZ PHE 128 HZ PHE 128 -0.904 -0.175 3.509 934 H ASP 129 H ASP 129 -0.555 -3.574 8.944 935 HA ASP 129 HA ASP 129 -0.888 -5.008 11.542 936 HB2 ASP 129 HB2 ASP 129 -1.472 -6.551 9.832 937 HB3 ASP 129 HB3 ASP 129 -0.107 -6.046 8.816 938 H LEU 130 H LEU 130 0.536 -3.889 12.741 939 HA LEU 130 HA LEU 130 2.397 -3.039 13.619 940 HB2 LEU 130 HB2 LEU 130 2.929 -5.375 13.824 941 HB3 LEU 130 HB3 LEU 130 3.586 -5.422 12.185 942 HG LEU 130 HG LEU 130 5.450 -3.917 12.882 943 HD11 LEU 130 HD11 LEU 130 4.377 -2.688 14.708 944 HD12 LEU 130 HD12 LEU 130 5.819 -3.517 15.301 945 HD13 LEU 130 HD13 LEU 130 4.211 -4.197 15.651 946 HD21 LEU 130 HD21 LEU 130 6.642 -5.567 14.215 947 HD22 LEU 130 HD22 LEU 130 5.693 -6.359 12.948 948 HD23 LEU 130 HD23 LEU 130 5.122 -6.377 14.634 Start of MODEL 5 1 H1 ALA 1 H ALA 1 12.529 -20.451 -4.037 2 HA ALA 1 HA ALA 1 12.086 -22.279 -2.538 3 HB1 ALA 1 HB1 ALA 1 13.931 -21.969 -0.953 4 HB2 ALA 1 HB2 ALA 1 14.383 -21.439 -2.582 5 HB3 ALA 1 HB3 ALA 1 13.984 -20.232 -1.336 6 H THR 2 H THR 2 9.912 -22.176 -1.941 7 HA THR 2 HA THR 2 8.908 -20.552 0.145 8 HB THR 2 HB THR 2 7.710 -21.436 -1.805 9 HG1 THR 2 HG1 THR 2 5.834 -21.553 -0.794 10 HG21 THR 2 HG21 THR 2 8.546 -23.789 -1.790 11 HG22 THR 2 HG22 THR 2 6.787 -23.652 -1.857 12 HG23 THR 2 HG23 THR 2 7.580 -24.092 -0.332 13 H GLN 3 H GLN 3 10.785 -23.504 0.449 14 HA GLN 3 HA GLN 3 9.506 -24.103 3.042 15 HB2 GLN 3 HB2 GLN 3 11.770 -25.427 1.523 16 HB3 GLN 3 HB3 GLN 3 11.355 -25.874 3.168 17 HG2 GLN 3 HG2 GLN 3 9.325 -25.944 0.883 18 HG3 GLN 3 HG3 GLN 3 10.332 -27.312 1.346 19 HE21 GLN 3 HE21 GLN 3 8.399 -28.645 1.937 20 HE22 GLN 3 HE22 GLN 3 7.679 -28.328 3.493 21 H SER 4 H SER 4 10.435 -23.868 5.000 22 HA SER 4 HA SER 4 11.328 -22.837 6.681 23 HB2 SER 4 HB2 SER 4 13.863 -21.923 6.194 24 HB3 SER 4 HB3 SER 4 13.395 -23.467 6.862 25 HG SER 4 HG SER 4 14.279 -22.787 4.309 26 HA PRO 5 HA PRO 5 10.465 -18.561 6.288 27 HB2 PRO 5 HB2 PRO 5 11.738 -17.375 8.411 28 HB3 PRO 5 HB3 PRO 5 10.284 -18.403 8.578 29 HG2 PRO 5 HG2 PRO 5 13.174 -19.168 9.001 30 HG3 PRO 5 HG3 PRO 5 11.755 -19.589 10.005 31 HD2 PRO 5 HD2 PRO 5 12.847 -21.299 8.173 32 HD3 PRO 5 HD3 PRO 5 11.100 -21.262 8.534 33 H GLY 6 H GLY 6 11.337 -17.459 4.600 34 HA2 GLY 6 HA2 GLY 6 14.244 -16.782 4.583 35 HA3 GLY 6 HA3 GLY 6 13.526 -17.582 3.192 36 H ASP 7 H ASP 7 11.798 -16.405 1.972 37 HA ASP 7 HA ASP 7 12.323 -13.543 1.998 38 HB2 ASP 7 HB2 ASP 7 11.220 -13.385 -0.030 39 HB3 ASP 7 HB3 ASP 7 12.331 -14.758 -0.088 40 H SER 8 H SER 8 11.031 -14.417 4.318 41 HA SER 8 HA SER 8 8.338 -14.143 4.488 42 HB2 SER 8 HB2 SER 8 10.046 -12.789 6.574 43 HB3 SER 8 HB3 SER 8 8.611 -13.787 6.786 44 HG SER 8 HG SER 8 10.207 -15.057 7.387 45 H ARG 9 H ARG 9 10.707 -11.481 4.358 46 HA ARG 9 HA ARG 9 8.967 -9.297 4.789 47 HB2 ARG 9 HB2 ARG 9 11.491 -9.655 3.116 48 HB3 ARG 9 HB3 ARG 9 10.659 -8.099 3.204 49 HG2 ARG 9 HG2 ARG 9 10.978 -7.906 5.552 50 HG3 ARG 9 HG3 ARG 9 11.588 -9.569 5.709 51 HD2 ARG 9 HD2 ARG 9 13.633 -9.062 4.615 52 HD3 ARG 9 HD3 ARG 9 12.954 -7.626 3.838 53 HE ARG 9 HE ARG 9 13.363 -6.333 5.609 54 HH11 ARG 9 HH11 ARG 9 14.099 -9.644 6.697 55 HH12 ARG 9 HH12 ARG 9 14.791 -9.067 8.199 56 HH21 ARG 9 HH21 ARG 9 13.871 -5.723 7.571 57 HH22 ARG 9 HH22 ARG 9 14.547 -6.779 8.790 58 H ARG 10 H ARG 10 9.834 -10.904 1.691 59 HA ARG 10 HA ARG 10 8.152 -9.251 0.038 60 HB2 ARG 10 HB2 ARG 10 9.353 -12.022 -0.330 61 HB3 ARG 10 HB3 ARG 10 8.351 -11.272 -1.553 62 HG2 ARG 10 HG2 ARG 10 10.727 -9.701 -0.562 63 HG3 ARG 10 HG3 ARG 10 10.997 -11.086 -1.630 64 HD2 ARG 10 HD2 ARG 10 9.452 -10.178 -3.301 65 HD3 ARG 10 HD3 ARG 10 9.106 -8.782 -2.261 66 HE ARG 10 HE ARG 10 11.883 -8.826 -2.574 67 HH11 ARG 10 HH11 ARG 10 9.239 -8.715 -4.957 68 HH12 ARG 10 HH12 ARG 10 10.055 -7.572 -5.963 69 HH21 ARG 10 HH21 ARG 10 13.017 -7.476 -4.035 70 HH22 ARG 10 HH22 ARG 10 12.158 -6.699 -5.311 71 H LEU 11 H LEU 11 7.631 -12.383 1.719 72 HA LEU 11 HA LEU 11 5.056 -12.883 0.640 73 HB2 LEU 11 HB2 LEU 11 6.158 -13.598 3.389 74 HB3 LEU 11 HB3 LEU 11 4.635 -14.196 2.751 75 HG LEU 11 HG LEU 11 7.353 -14.726 1.474 76 HD11 LEU 11 HD11 LEU 11 5.603 -16.480 3.255 77 HD12 LEU 11 HD12 LEU 11 7.183 -15.802 3.687 78 HD13 LEU 11 HD13 LEU 11 7.071 -17.011 2.413 79 HD21 LEU 11 HD21 LEU 11 5.443 -14.874 -0.126 80 HD22 LEU 11 HD22 LEU 11 4.636 -16.016 0.977 81 HD23 LEU 11 HD23 LEU 11 6.195 -16.437 0.206 82 H SER 12 H SER 12 5.944 -11.091 3.661 83 HA SER 12 HA SER 12 3.258 -10.447 4.323 84 HB2 SER 12 HB2 SER 12 5.848 -9.018 5.043 85 HB3 SER 12 HB3 SER 12 4.255 -8.729 5.788 86 HG SER 12 HG SER 12 5.356 -10.171 7.029 87 H ILE 13 H ILE 13 5.669 -8.528 2.412 88 HA ILE 13 HA ILE 13 4.045 -6.324 1.898 89 HB ILE 13 HB ILE 13 6.169 -7.705 0.194 90 HG12 ILE 13 HG12 ILE 13 6.398 -5.070 1.658 91 HG13 ILE 13 HG13 ILE 13 6.692 -6.570 2.494 92 HG21 ILE 13 HG21 ILE 13 6.281 -5.410 -0.999 93 HG22 ILE 13 HG22 ILE 13 4.924 -6.454 -1.383 94 HG23 ILE 13 HG23 ILE 13 4.704 -5.084 -0.261 95 HD11 ILE 13 HD11 ILE 13 8.202 -5.673 -0.008 96 HD12 ILE 13 HD12 ILE 13 8.800 -5.559 1.652 97 HD13 ILE 13 HD13 ILE 13 8.511 -7.146 0.920 98 H GLN 14 H GLN 14 4.319 -9.370 -0.009 99 HA GLN 14 HA GLN 14 2.374 -8.714 -1.947 100 HB2 GLN 14 HB2 GLN 14 3.329 -11.404 -0.892 101 HB3 GLN 14 HB3 GLN 14 2.121 -11.226 -2.147 102 HG2 GLN 14 HG2 GLN 14 3.803 -9.820 -3.445 103 HG3 GLN 14 HG3 GLN 14 5.030 -10.403 -2.319 104 HE21 GLN 14 HE21 GLN 14 5.541 -12.811 -2.355 105 HE22 GLN 14 HE22 GLN 14 4.896 -13.771 -3.650 106 H ARG 15 H ARG 15 1.919 -10.560 1.143 107 HA ARG 15 HA ARG 15 -0.858 -11.027 0.854 108 HB2 ARG 15 HB2 ARG 15 0.804 -10.519 3.363 109 HB3 ARG 15 HB3 ARG 15 -0.896 -10.984 3.393 110 HG2 ARG 15 HG2 ARG 15 -0.335 -13.075 2.151 111 HG3 ARG 15 HG3 ARG 15 1.378 -12.684 2.281 112 HD2 ARG 15 HD2 ARG 15 -0.585 -13.124 4.543 113 HD3 ARG 15 HD3 ARG 15 0.667 -14.258 4.032 114 HE ARG 15 HE ARG 15 2.354 -12.903 4.973 115 HH11 ARG 15 HH11 ARG 15 -0.880 -12.080 6.120 116 HH12 ARG 15 HH12 ARG 15 -0.393 -10.788 7.139 117 HH21 ARG 15 HH21 ARG 15 3.080 -11.310 6.469 118 HH22 ARG 15 HH22 ARG 15 1.933 -10.371 7.371 119 H ALA 16 H ALA 16 0.830 -8.256 2.341 120 HA ALA 16 HA ALA 16 -1.482 -6.803 3.124 121 HB1 ALA 16 HB1 ALA 16 0.780 -6.316 3.974 122 HB2 ALA 16 HB2 ALA 16 1.278 -5.741 2.372 123 HB3 ALA 16 HB3 ALA 16 0.027 -4.871 3.283 124 H ILE 17 H ILE 17 0.520 -6.408 0.137 125 HA ILE 17 HA ILE 17 -1.023 -4.459 -1.153 126 HB ILE 17 HB ILE 17 0.678 -6.758 -2.176 127 HG12 ILE 17 HG12 ILE 17 1.174 -3.751 -2.330 128 HG13 ILE 17 HG13 ILE 17 1.609 -4.719 -0.913 129 HG21 ILE 17 HG21 ILE 17 -0.606 -4.613 -3.913 130 HG22 ILE 17 HG22 ILE 17 0.690 -5.697 -4.446 131 HG23 ILE 17 HG23 ILE 17 -0.874 -6.357 -4.025 132 HD11 ILE 17 HD11 ILE 17 2.668 -5.129 -3.723 133 HD12 ILE 17 HD12 ILE 17 3.549 -4.523 -2.317 134 HD13 ILE 17 HD13 ILE 17 2.978 -6.213 -2.361 135 H GLN 18 H GLN 18 -1.351 -8.015 -1.332 136 HA GLN 18 HA GLN 18 -3.504 -8.061 -3.174 137 HB2 GLN 18 HB2 GLN 18 -2.588 -10.016 -1.028 138 HB3 GLN 18 HB3 GLN 18 -3.880 -10.365 -2.171 139 HG2 GLN 18 HG2 GLN 18 -2.386 -10.078 -4.075 140 HG3 GLN 18 HG3 GLN 18 -1.103 -9.507 -3.064 141 HE21 GLN 18 HE21 GLN 18 -3.234 -12.349 -3.459 142 HE22 GLN 18 HE22 GLN 18 -1.962 -13.548 -3.193 143 H SER 19 H SER 19 -3.526 -7.614 0.387 144 HA SER 19 HA SER 19 -6.446 -7.868 0.516 145 HB2 SER 19 HB2 SER 19 -4.774 -8.371 2.392 146 HB3 SER 19 HB3 SER 19 -4.576 -6.624 2.569 147 HG SER 19 HG SER 19 -6.979 -6.641 2.760 148 H LEU 20 H LEU 20 -4.052 -5.319 0.034 149 HA LEU 20 HA LEU 20 -5.660 -3.036 0.669 150 HB2 LEU 20 HB2 LEU 20 -3.105 -3.399 0.553 151 HB3 LEU 20 HB3 LEU 20 -3.233 -3.229 -1.165 152 HG LEU 20 HG LEU 20 -4.066 -1.093 0.835 153 HD11 LEU 20 HD11 LEU 20 -1.676 -1.624 0.965 154 HD12 LEU 20 HD12 LEU 20 -1.878 -0.068 0.168 155 HD13 LEU 20 HD13 LEU 20 -1.535 -1.500 -0.794 156 HD21 LEU 20 HD21 LEU 20 -3.843 -1.195 -2.186 157 HD22 LEU 20 HD22 LEU 20 -3.730 0.324 -1.297 158 HD23 LEU 20 HD23 LEU 20 -5.214 -0.645 -1.177 159 H VAL 21 H VAL 21 -4.547 -4.366 -2.522 160 HA VAL 21 HA VAL 21 -6.243 -2.708 -4.037 161 HB VAL 21 HB VAL 21 -4.198 -3.868 -4.845 162 HG11 VAL 21 HG11 VAL 21 -5.886 -6.376 -5.157 163 HG12 VAL 21 HG12 VAL 21 -4.170 -6.147 -5.545 164 HG13 VAL 21 HG13 VAL 21 -4.705 -6.150 -3.864 165 HG21 VAL 21 HG21 VAL 21 -6.758 -4.241 -6.447 166 HG22 VAL 21 HG22 VAL 21 -5.591 -2.902 -6.525 167 HG23 VAL 21 HG23 VAL 21 -5.146 -4.508 -7.107 168 H HIS 22 H HIS 22 -6.773 -6.004 -2.656 169 HA HIS 22 HA HIS 22 -9.246 -6.455 -3.930 170 HB2 HIS 22 HB2 HIS 22 -8.186 -8.269 -2.782 171 HB3 HIS 22 HB3 HIS 22 -8.167 -7.385 -1.244 172 HD1 HIS 22 HD1 HIS 22 -10.901 -8.871 -3.639 173 HD2 HIS 22 HD2 HIS 22 -10.195 -7.616 0.338 174 HE1 HIS 22 HE1 HIS 22 -13.079 -9.146 -2.391 175 H ALA 23 H ALA 23 -8.671 -4.989 -0.607 176 HA ALA 23 HA ALA 23 -11.371 -4.421 -0.116 177 HB1 ALA 23 HB1 ALA 23 -10.497 -2.769 1.512 178 HB2 ALA 23 HB2 ALA 23 -9.659 -4.334 1.601 179 HB3 ALA 23 HB3 ALA 23 -8.886 -2.945 0.783 180 H ALA 24 H ALA 24 -9.064 -2.654 -2.121 181 HA ALA 24 HA ALA 24 -10.525 -0.187 -2.164 182 HB1 ALA 24 HB1 ALA 24 -8.985 0.384 -4.006 183 HB2 ALA 24 HB2 ALA 24 -8.095 -0.331 -2.644 184 HB3 ALA 24 HB3 ALA 24 -8.447 -1.308 -4.082 185 H GLN 25 H GLN 25 -10.997 -3.211 -3.892 186 HA GLN 25 HA GLN 25 -13.084 -1.830 -5.537 187 HB2 GLN 25 HB2 GLN 25 -12.710 -3.402 -7.315 188 HB3 GLN 25 HB3 GLN 25 -11.254 -2.477 -6.991 189 HG2 GLN 25 HG2 GLN 25 -10.134 -4.322 -6.019 190 HG3 GLN 25 HG3 GLN 25 -11.614 -5.246 -5.787 191 HE21 GLN 25 HE21 GLN 25 -8.885 -5.261 -7.670 192 HE22 GLN 25 HE22 GLN 25 -9.546 -5.875 -9.170 193 H CYS 26 H CYS 26 -12.609 -3.944 -3.026 194 HA CYS 26 HA CYS 26 -14.425 -6.041 -3.448 195 HB2 CYS 26 HB2 CYS 26 -12.795 -6.097 -1.686 196 HB3 CYS 26 HB3 CYS 26 -13.448 -4.614 -0.972 197 H ARG 27 H ARG 27 -16.355 -5.523 -4.281 198 HA ARG 27 HA ARG 27 -18.097 -3.522 -2.939 199 HB2 ARG 27 HB2 ARG 27 -19.487 -3.720 -4.950 200 HB3 ARG 27 HB3 ARG 27 -17.867 -3.100 -5.247 201 HG2 ARG 27 HG2 ARG 27 -17.164 -5.182 -6.262 202 HG3 ARG 27 HG3 ARG 27 -18.632 -6.017 -5.711 203 HD2 ARG 27 HD2 ARG 27 -20.028 -4.567 -7.093 204 HD3 ARG 27 HD3 ARG 27 -18.632 -3.636 -7.619 205 HE ARG 27 HE ARG 27 -19.409 -6.391 -8.348 206 HH11 ARG 27 HH11 ARG 27 -16.864 -3.873 -8.647 207 HH12 ARG 27 HH12 ARG 27 -16.414 -4.386 -10.250 208 HH21 ARG 27 HH21 ARG 27 -18.756 -6.998 -10.512 209 HH22 ARG 27 HH22 ARG 27 -17.465 -6.157 -11.304 210 H ASN 28 H ASN 28 -17.597 -6.900 -2.960 211 HA ASN 28 HA ASN 28 -20.449 -7.529 -2.460 212 HB2 ASN 28 HB2 ASN 28 -17.962 -9.280 -2.686 213 HB3 ASN 28 HB3 ASN 28 -19.505 -9.883 -2.113 214 HD21 ASN 28 HD21 ASN 28 -17.900 -8.426 -4.931 215 HD22 ASN 28 HD22 ASN 28 -19.247 -8.665 -6.024 216 H ALA 29 H ALA 29 -21.233 -8.188 -0.511 217 HA ALA 29 HA ALA 29 -19.766 -7.355 1.914 218 HB1 ALA 29 HB1 ALA 29 -22.617 -8.367 1.444 219 HB2 ALA 29 HB2 ALA 29 -21.995 -7.664 2.948 220 HB3 ALA 29 HB3 ALA 29 -22.139 -6.659 1.510 221 H ASN 30 H ASN 30 -20.232 -10.191 0.163 222 HA ASN 30 HA ASN 30 -20.690 -12.177 2.149 223 HB2 ASN 30 HB2 ASN 30 -21.020 -12.528 -0.242 224 HB3 ASN 30 HB3 ASN 30 -19.306 -12.309 -0.548 225 HD21 ASN 30 HD21 ASN 30 -17.900 -14.081 -0.265 226 HD22 ASN 30 HD22 ASN 30 -18.413 -15.639 0.371 227 H CYS 31 H CYS 31 -17.564 -11.142 0.633 228 HA CYS 31 HA CYS 31 -16.037 -12.940 2.167 229 HB2 CYS 31 HB2 CYS 31 -14.123 -11.906 1.374 230 HB3 CYS 31 HB3 CYS 31 -15.280 -11.943 0.059 231 H SER 32 H SER 32 -15.162 -12.918 4.114 232 HA SER 32 HA SER 32 -15.313 -10.485 5.825 233 HB2 SER 32 HB2 SER 32 -16.132 -13.323 6.524 234 HB3 SER 32 HB3 SER 32 -16.100 -11.953 7.641 235 HG SER 32 HG SER 32 -17.686 -12.157 5.267 236 H LEU 33 H LEU 33 -13.133 -10.047 5.878 237 HA LEU 33 HA LEU 33 -11.347 -12.090 7.052 238 HB2 LEU 33 HB2 LEU 33 -10.756 -10.477 4.541 239 HB3 LEU 33 HB3 LEU 33 -9.483 -11.154 5.542 240 HG LEU 33 HG LEU 33 -11.584 -12.750 4.023 241 HD11 LEU 33 HD11 LEU 33 -8.578 -12.374 3.595 242 HD12 LEU 33 HD12 LEU 33 -9.859 -11.630 2.614 243 HD13 LEU 33 HD13 LEU 33 -9.652 -13.385 2.615 244 HD21 LEU 33 HD21 LEU 33 -10.916 -13.982 6.048 245 HD22 LEU 33 HD22 LEU 33 -9.197 -13.678 5.699 246 HD23 LEU 33 HD23 LEU 33 -10.170 -14.716 4.636 247 HA PRO 34 HA PRO 34 -10.495 -8.600 9.603 248 HB2 PRO 34 HB2 PRO 34 -7.855 -9.031 10.382 249 HB3 PRO 34 HB3 PRO 34 -9.289 -9.869 11.051 250 HG2 PRO 34 HG2 PRO 34 -7.437 -10.818 8.848 251 HG3 PRO 34 HG3 PRO 34 -8.023 -11.736 10.272 252 HD2 PRO 34 HD2 PRO 34 -9.200 -12.023 7.865 253 HD3 PRO 34 HD3 PRO 34 -10.219 -11.910 9.333 254 H SER 35 H SER 35 -7.617 -9.239 7.421 255 HA SER 35 HA SER 35 -6.948 -6.521 7.338 256 HB2 SER 35 HB2 SER 35 -6.195 -8.685 5.399 257 HB3 SER 35 HB3 SER 35 -5.425 -7.089 5.564 258 HG SER 35 HG SER 35 -4.252 -8.369 6.862 259 H CYS 36 H CYS 36 -9.277 -8.325 5.354 260 HA CYS 36 HA CYS 36 -9.550 -6.399 3.266 261 HB2 CYS 36 HB2 CYS 36 -10.399 -8.709 3.159 262 HB3 CYS 36 HB3 CYS 36 -11.546 -8.363 4.473 263 H GLN 37 H GLN 37 -11.442 -6.919 6.264 264 HA GLN 37 HA GLN 37 -13.083 -4.623 6.068 265 HB2 GLN 37 HB2 GLN 37 -12.059 -6.146 8.508 266 HB3 GLN 37 HB3 GLN 37 -13.315 -4.916 8.574 267 HG2 GLN 37 HG2 GLN 37 -13.486 -7.539 7.043 268 HG3 GLN 37 HG3 GLN 37 -14.189 -7.162 8.609 269 HE21 GLN 37 HE21 GLN 37 -15.161 -7.740 5.637 270 HE22 GLN 37 HE22 GLN 37 -16.503 -6.621 5.461 271 H LYS 38 H LYS 38 -9.940 -5.039 7.818 272 HA LYS 38 HA LYS 38 -10.050 -2.302 8.771 273 HB2 LYS 38 HB2 LYS 38 -7.998 -2.553 9.756 274 HB3 LYS 38 HB3 LYS 38 -8.719 -4.162 9.825 275 HG2 LYS 38 HG2 LYS 38 -7.330 -4.526 7.607 276 HG3 LYS 38 HG3 LYS 38 -6.424 -3.130 8.165 277 HD2 LYS 38 HD2 LYS 38 -6.823 -5.713 9.750 278 HD3 LYS 38 HD3 LYS 38 -5.375 -5.300 8.814 279 HE2 LYS 38 HE2 LYS 38 -5.160 -3.202 10.243 280 HE3 LYS 38 HE3 LYS 38 -6.529 -3.772 11.207 281 HZ1 LYS 38 HZ1 LYS 38 -4.964 -5.841 11.525 282 HZ2 LYS 38 HZ2 LYS 38 -4.720 -4.472 12.410 283 HZ3 LYS 38 HZ3 LYS 38 -3.807 -4.719 11.108 284 H MET 39 H MET 39 -8.610 -3.726 5.798 285 HA MET 39 HA MET 39 -7.329 -1.357 4.933 286 HB2 MET 39 HB2 MET 39 -8.405 -3.786 3.477 287 HB3 MET 39 HB3 MET 39 -7.752 -2.394 2.603 288 HG2 MET 39 HG2 MET 39 -6.175 -3.872 4.714 289 HG3 MET 39 HG3 MET 39 -6.110 -4.214 2.976 290 HE1 MET 39 HE1 MET 39 -2.790 -2.435 2.869 291 HE2 MET 39 HE2 MET 39 -3.270 -3.491 4.234 292 HE3 MET 39 HE3 MET 39 -3.758 -3.893 2.568 293 H LYS 40 H LYS 40 -10.697 -2.472 4.734 294 HA LYS 40 HA LYS 40 -11.700 -0.712 2.842 295 HB2 LYS 40 HB2 LYS 40 -12.791 -2.485 4.816 296 HB3 LYS 40 HB3 LYS 40 -13.570 -0.939 5.068 297 HG2 LYS 40 HG2 LYS 40 -15.004 -1.866 3.579 298 HG3 LYS 40 HG3 LYS 40 -13.934 -1.049 2.423 299 HD2 LYS 40 HD2 LYS 40 -12.695 -3.143 2.062 300 HD3 LYS 40 HD3 LYS 40 -13.632 -3.975 3.302 301 HE2 LYS 40 HE2 LYS 40 -14.777 -2.817 0.721 302 HE3 LYS 40 HE3 LYS 40 -14.346 -4.515 0.998 303 HZ1 LYS 40 HZ1 LYS 40 -16.030 -4.677 2.667 304 HZ2 LYS 40 HZ2 LYS 40 -16.665 -4.144 1.293 305 HZ3 LYS 40 HZ3 LYS 40 -16.461 -3.052 2.464 306 H ARG 41 H ARG 41 -10.809 -0.049 6.220 307 HA ARG 41 HA ARG 41 -12.089 2.550 6.334 308 HB2 ARG 41 HB2 ARG 41 -9.808 1.444 8.043 309 HB3 ARG 41 HB3 ARG 41 -10.775 2.860 8.393 310 HG2 ARG 41 HG2 ARG 41 -11.933 0.072 8.199 311 HG3 ARG 41 HG3 ARG 41 -11.374 0.801 9.695 312 HD2 ARG 41 HD2 ARG 41 -13.074 2.447 9.722 313 HD3 ARG 41 HD3 ARG 41 -13.457 2.210 8.013 314 HE ARG 41 HE ARG 41 -14.407 0.099 8.452 315 HH11 ARG 41 HH11 ARG 41 -13.844 1.848 11.562 316 HH12 ARG 41 HH12 ARG 41 -14.576 0.567 12.466 317 HH21 ARG 41 HH21 ARG 41 -15.375 -1.457 9.712 318 HH22 ARG 41 HH22 ARG 41 -15.629 -1.220 11.397 319 H VAL 42 H VAL 42 -8.616 1.595 5.956 320 HA VAL 42 HA VAL 42 -7.741 4.270 5.625 321 HB VAL 42 HB VAL 42 -6.143 2.780 6.200 322 HG11 VAL 42 HG11 VAL 42 -7.007 0.633 5.602 323 HG12 VAL 42 HG12 VAL 42 -6.671 0.929 3.868 324 HG13 VAL 42 HG13 VAL 42 -5.351 0.787 5.042 325 HG21 VAL 42 HG21 VAL 42 -4.353 3.015 4.629 326 HG22 VAL 42 HG22 VAL 42 -5.482 3.089 3.255 327 HG23 VAL 42 HG23 VAL 42 -5.422 4.419 4.416 328 H VAL 43 H VAL 43 -8.766 1.897 3.159 329 HA VAL 43 HA VAL 43 -8.127 3.725 1.035 330 HB VAL 43 HB VAL 43 -8.384 1.255 0.767 331 HG11 VAL 43 HG11 VAL 43 -10.534 0.251 0.347 332 HG12 VAL 43 HG12 VAL 43 -10.605 1.036 1.921 333 HG13 VAL 43 HG13 VAL 43 -11.383 1.808 0.533 334 HG21 VAL 43 HG21 VAL 43 -9.899 3.060 -1.160 335 HG22 VAL 43 HG22 VAL 43 -8.149 2.790 -1.122 336 HG23 VAL 43 HG23 VAL 43 -9.226 1.466 -1.541 337 H GLN 44 H GLN 44 -11.169 3.214 2.915 338 HA GLN 44 HA GLN 44 -12.775 4.959 1.437 339 HB2 GLN 44 HB2 GLN 44 -13.705 3.504 3.158 340 HB3 GLN 44 HB3 GLN 44 -12.697 4.231 4.396 341 HG2 GLN 44 HG2 GLN 44 -14.094 6.438 3.805 342 HG3 GLN 44 HG3 GLN 44 -15.261 5.261 3.232 343 HE21 GLN 44 HE21 GLN 44 -14.498 7.093 5.855 344 HE22 GLN 44 HE22 GLN 44 -14.974 6.034 7.175 345 H HIS 45 H HIS 45 -10.622 5.560 4.246 346 HA HIS 45 HA HIS 45 -11.122 8.288 4.648 347 HB2 HIS 45 HB2 HIS 45 -10.010 6.989 6.320 348 HB3 HIS 45 HB3 HIS 45 -8.807 6.399 5.189 349 HD1 HIS 45 HD1 HIS 45 -9.721 9.726 6.956 350 HD2 HIS 45 HD2 HIS 45 -6.569 7.694 5.007 351 HE1 HIS 45 HE1 HIS 45 -7.655 11.139 7.253 352 H THR 46 H THR 46 -8.427 6.739 2.816 353 HA THR 46 HA THR 46 -7.303 9.154 1.910 354 HB THR 46 HB THR 46 -6.180 7.699 0.218 355 HG1 THR 46 HG1 THR 46 -7.587 5.631 1.571 356 HG21 THR 46 HG21 THR 46 -5.388 8.064 2.610 357 HG22 THR 46 HG22 THR 46 -4.859 6.542 1.883 358 HG23 THR 46 HG23 THR 46 -6.196 6.536 3.039 359 H LYS 47 H LYS 47 -9.931 7.248 0.378 360 HA LYS 47 HA LYS 47 -10.020 8.749 -2.046 361 HB2 LYS 47 HB2 LYS 47 -12.135 7.239 -0.461 362 HB3 LYS 47 HB3 LYS 47 -12.515 8.022 -1.993 363 HG2 LYS 47 HG2 LYS 47 -11.086 6.627 -3.241 364 HG3 LYS 47 HG3 LYS 47 -10.233 6.035 -1.812 365 HD2 LYS 47 HD2 LYS 47 -12.188 4.854 -1.020 366 HD3 LYS 47 HD3 LYS 47 -13.201 5.515 -2.311 367 HE2 LYS 47 HE2 LYS 47 -10.677 3.978 -2.990 368 HE3 LYS 47 HE3 LYS 47 -12.137 3.095 -2.495 369 HZ1 LYS 47 HZ1 LYS 47 -13.317 3.940 -4.286 370 HZ2 LYS 47 HZ2 LYS 47 -11.905 3.438 -4.934 371 HZ3 LYS 47 HZ3 LYS 47 -12.198 5.065 -4.700 372 H GLY 48 H GLY 48 -11.058 9.618 1.214 373 HA2 GLY 48 HA2 GLY 48 -12.571 11.976 0.187 374 HA3 GLY 48 HA3 GLY 48 -12.720 11.234 1.776 375 H CYS 49 H CYS 49 -9.426 11.148 1.410 376 HA CYS 49 HA CYS 49 -9.112 13.438 3.092 377 HB2 CYS 49 HB2 CYS 49 -7.754 11.032 2.604 378 HB3 CYS 49 HB3 CYS 49 -6.614 12.261 2.084 379 H LYS 50 H LYS 50 -9.128 15.394 2.373 380 HA LYS 50 HA LYS 50 -7.947 16.078 -0.310 381 HB2 LYS 50 HB2 LYS 50 -10.341 17.162 1.195 382 HB3 LYS 50 HB3 LYS 50 -9.383 18.260 0.207 383 HG2 LYS 50 HG2 LYS 50 -11.169 17.485 -1.143 384 HG3 LYS 50 HG3 LYS 50 -9.668 16.826 -1.767 385 HD2 LYS 50 HD2 LYS 50 -10.180 14.658 -0.615 386 HD3 LYS 50 HD3 LYS 50 -11.757 15.324 -0.126 387 HE2 LYS 50 HE2 LYS 50 -12.465 15.491 -2.417 388 HE3 LYS 50 HE3 LYS 50 -10.798 15.320 -3.002 389 HZ1 LYS 50 HZ1 LYS 50 -12.450 13.177 -1.818 390 HZ2 LYS 50 HZ2 LYS 50 -10.827 13.034 -2.133 391 HZ3 LYS 50 HZ3 LYS 50 -11.885 13.292 -3.351 392 H ARG 51 H ARG 51 -7.451 16.281 3.052 393 HA ARG 51 HA ARG 51 -6.128 18.837 3.132 394 HB2 ARG 51 HB2 ARG 51 -7.168 17.711 5.080 395 HB3 ARG 51 HB3 ARG 51 -5.971 16.412 4.984 396 HG2 ARG 51 HG2 ARG 51 -4.184 18.017 5.487 397 HG3 ARG 51 HG3 ARG 51 -5.331 19.352 5.512 398 HD2 ARG 51 HD2 ARG 51 -6.422 18.431 7.481 399 HD3 ARG 51 HD3 ARG 51 -5.466 16.933 7.375 400 HE ARG 51 HE ARG 51 -3.459 18.584 7.577 401 HH11 ARG 51 HH11 ARG 51 -6.366 18.483 9.573 402 HH12 ARG 51 HH12 ARG 51 -5.705 19.470 10.842 403 HH21 ARG 51 HH21 ARG 51 -2.701 20.069 9.112 404 HH22 ARG 51 HH22 ARG 51 -3.399 20.192 10.683 405 H LYS 52 H LYS 52 -5.102 15.817 1.825 406 HA LYS 52 HA LYS 52 -2.446 15.574 2.257 407 HB2 LYS 52 HB2 LYS 52 -3.239 15.321 -0.606 408 HB3 LYS 52 HB3 LYS 52 -2.245 14.298 0.372 409 HG2 LYS 52 HG2 LYS 52 -4.091 13.164 1.330 410 HG3 LYS 52 HG3 LYS 52 -5.233 14.414 0.840 411 HD2 LYS 52 HD2 LYS 52 -5.660 12.624 -0.579 412 HD3 LYS 52 HD3 LYS 52 -4.827 13.855 -1.545 413 HE2 LYS 52 HE2 LYS 52 -2.697 12.360 -0.816 414 HE3 LYS 52 HE3 LYS 52 -3.979 11.135 -0.595 415 HZ1 LYS 52 HZ1 LYS 52 -3.121 11.040 -2.878 416 HZ2 LYS 52 HZ2 LYS 52 -3.372 12.642 -3.073 417 HZ3 LYS 52 HZ3 LYS 52 -4.633 11.647 -2.943 418 H THR 53 H THR 53 -3.780 17.722 -0.226 419 HA THR 53 HA THR 53 -1.514 18.929 -1.217 420 HB THR 53 HB THR 53 -3.904 19.002 -2.000 421 HG1 THR 53 HG1 THR 53 -2.729 20.339 -3.066 422 HG21 THR 53 HG21 THR 53 -4.902 19.708 0.250 423 HG22 THR 53 HG22 THR 53 -5.518 20.508 -1.198 424 HG23 THR 53 HG23 THR 53 -4.362 21.342 -0.133 425 H ASN 54 H ASN 54 -3.012 19.626 1.885 426 HA ASN 54 HA ASN 54 -1.471 22.142 2.266 427 HB2 ASN 54 HB2 ASN 54 -3.953 22.269 2.300 428 HB3 ASN 54 HB3 ASN 54 -4.005 21.014 3.539 429 HD21 ASN 54 HD21 ASN 54 -2.699 24.342 2.929 430 HD22 ASN 54 HD22 ASN 54 -2.787 24.796 4.599 431 H GLY 55 H GLY 55 -1.674 18.858 3.335 432 HA2 GLY 55 HA2 GLY 55 0.431 18.303 4.739 433 HA3 GLY 55 HA3 GLY 55 -0.252 19.450 5.904 434 H GLY 56 H GLY 56 -1.206 16.665 3.920 435 HA2 GLY 56 HA2 GLY 56 -3.484 15.935 5.610 436 HA3 GLY 56 HA3 GLY 56 -2.882 15.086 4.183 437 H CYS 57 H CYS 57 -3.700 13.678 6.372 438 HA CYS 57 HA CYS 57 -1.761 13.053 8.292 439 HB2 CYS 57 HB2 CYS 57 -3.246 10.701 7.757 440 HB3 CYS 57 HB3 CYS 57 -3.510 11.915 8.997 441 HA PRO 58 HA PRO 58 1.290 10.730 6.089 442 HB2 PRO 58 HB2 PRO 58 2.039 8.735 7.827 443 HB3 PRO 58 HB3 PRO 58 2.454 10.457 8.049 444 HG2 PRO 58 HG2 PRO 58 0.157 8.920 9.297 445 HG3 PRO 58 HG3 PRO 58 1.324 10.008 10.104 446 HD2 PRO 58 HD2 PRO 58 -1.125 10.896 9.353 447 HD3 PRO 58 HD3 PRO 58 0.315 11.939 9.168 448 H ILE 59 H ILE 59 -1.490 8.968 7.333 449 HA ILE 59 HA ILE 59 -1.239 6.495 6.127 450 HB ILE 59 HB ILE 59 -3.818 8.090 6.430 451 HG12 ILE 59 HG12 ILE 59 -2.255 6.371 8.410 452 HG13 ILE 59 HG13 ILE 59 -2.607 8.092 8.546 453 HG21 ILE 59 HG21 ILE 59 -3.337 5.069 6.324 454 HG22 ILE 59 HG22 ILE 59 -4.911 5.875 6.512 455 HG23 ILE 59 HG23 ILE 59 -4.015 6.045 5.012 456 HD11 ILE 59 HD11 ILE 59 -5.045 7.549 8.706 457 HD12 ILE 59 HD12 ILE 59 -4.588 5.821 8.824 458 HD13 ILE 59 HD13 ILE 59 -4.046 6.967 10.054 459 H CYS 60 H CYS 60 -2.422 9.539 4.626 460 HA CYS 60 HA CYS 60 -3.190 8.501 2.154 461 HB2 CYS 60 HB2 CYS 60 -1.972 11.215 2.832 462 HB3 CYS 60 HB3 CYS 60 -2.962 10.835 1.417 463 H LYS 61 H LYS 61 0.048 9.299 3.367 464 HA LYS 61 HA LYS 61 1.345 8.936 0.725 465 HB2 LYS 61 HB2 LYS 61 2.371 9.670 3.506 466 HB3 LYS 61 HB3 LYS 61 3.452 9.104 2.228 467 HG2 LYS 61 HG2 LYS 61 2.605 10.856 0.701 468 HG3 LYS 61 HG3 LYS 61 1.630 11.511 2.021 469 HD2 LYS 61 HD2 LYS 61 4.642 11.227 2.293 470 HD3 LYS 61 HD3 LYS 61 3.904 12.587 1.447 471 HE2 LYS 61 HE2 LYS 61 2.509 13.013 3.517 472 HE3 LYS 61 HE3 LYS 61 3.489 11.796 4.357 473 HZ1 LYS 61 HZ1 LYS 61 4.322 14.075 4.676 474 HZ2 LYS 61 HZ2 LYS 61 4.548 14.233 3.060 475 HZ3 LYS 61 HZ3 LYS 61 5.422 13.133 3.934 476 H GLN 62 H GLN 62 1.014 7.193 3.836 477 HA GLN 62 HA GLN 62 2.790 5.054 3.284 478 HB2 GLN 62 HB2 GLN 62 0.285 5.256 5.006 479 HB3 GLN 62 HB3 GLN 62 1.346 3.842 4.995 480 HG2 GLN 62 HG2 GLN 62 3.238 5.130 5.746 481 HG3 GLN 62 HG3 GLN 62 2.378 6.649 5.594 482 HE21 GLN 62 HE21 GLN 62 3.483 4.660 7.935 483 HE22 GLN 62 HE22 GLN 62 2.296 5.108 9.164 484 H LEU 63 H LEU 63 -0.726 5.413 2.626 485 HA LEU 63 HA LEU 63 -1.192 2.888 1.541 486 HB2 LEU 63 HB2 LEU 63 -2.938 4.584 2.039 487 HB3 LEU 63 HB3 LEU 63 -2.366 5.576 0.693 488 HG LEU 63 HG LEU 63 -2.994 3.777 -0.917 489 HD11 LEU 63 HD11 LEU 63 -4.543 1.950 -0.007 490 HD12 LEU 63 HD12 LEU 63 -4.007 2.396 1.623 491 HD13 LEU 63 HD13 LEU 63 -2.838 1.782 0.450 492 HD21 LEU 63 HD21 LEU 63 -5.389 4.054 -0.784 493 HD22 LEU 63 HD22 LEU 63 -4.611 5.560 -0.274 494 HD23 LEU 63 HD23 LEU 63 -5.280 4.454 0.947 495 H ILE 64 H ILE 64 0.167 5.764 -0.061 496 HA ILE 64 HA ILE 64 0.159 4.715 -2.693 497 HB ILE 64 HB ILE 64 1.519 7.012 -1.331 498 HG12 ILE 64 HG12 ILE 64 -0.402 6.956 -3.719 499 HG13 ILE 64 HG13 ILE 64 -0.925 6.875 -2.018 500 HG21 ILE 64 HG21 ILE 64 2.029 6.205 -4.217 501 HG22 ILE 64 HG22 ILE 64 2.366 7.815 -3.538 502 HG23 ILE 64 HG23 ILE 64 3.229 6.405 -2.933 503 HD11 ILE 64 HD11 ILE 64 -1.163 9.080 -2.548 504 HD12 ILE 64 HD12 ILE 64 0.309 9.025 -1.580 505 HD13 ILE 64 HD13 ILE 64 0.421 9.199 -3.358 506 H ALA 65 H ALA 65 2.504 4.357 -0.010 507 HA ALA 65 HA ALA 65 4.706 3.438 -1.455 508 HB1 ALA 65 HB1 ALA 65 4.664 3.934 1.016 509 HB2 ALA 65 HB2 ALA 65 3.849 2.380 1.276 510 HB3 ALA 65 HB3 ALA 65 5.479 2.420 0.596 511 H LEU 66 H LEU 66 1.969 1.477 -0.177 512 HA LEU 66 HA LEU 66 3.069 -0.964 -1.439 513 HB2 LEU 66 HB2 LEU 66 0.540 -0.413 0.123 514 HB3 LEU 66 HB3 LEU 66 0.791 -1.921 -0.765 515 HG LEU 66 HG LEU 66 2.379 -0.889 1.585 516 HD11 LEU 66 HD11 LEU 66 0.260 -2.026 2.102 517 HD12 LEU 66 HD12 LEU 66 1.638 -2.996 2.626 518 HD13 LEU 66 HD13 LEU 66 0.763 -3.431 1.138 519 HD21 LEU 66 HD21 LEU 66 3.074 -3.155 -0.312 520 HD22 LEU 66 HD22 LEU 66 3.623 -3.144 1.374 521 HD23 LEU 66 HD23 LEU 66 4.105 -1.846 0.291 522 H ALA 67 H ALA 67 0.505 1.465 -2.102 523 HA ALA 67 HA ALA 67 -0.744 0.095 -4.235 524 HB1 ALA 67 HB1 ALA 67 -1.531 2.369 -4.941 525 HB2 ALA 67 HB2 ALA 67 -1.744 2.062 -3.219 526 HB3 ALA 67 HB3 ALA 67 -0.396 3.063 -3.789 527 H ALA 68 H ALA 68 2.310 1.894 -4.156 528 HA ALA 68 HA ALA 68 2.735 2.184 -6.917 529 HB1 ALA 68 HB1 ALA 68 4.121 3.249 -5.124 530 HB2 ALA 68 HB2 ALA 68 4.837 1.656 -4.764 531 HB3 ALA 68 HB3 ALA 68 5.102 2.413 -6.340 532 H TYR 69 H TYR 69 3.125 -0.742 -4.874 533 HA TYR 69 HA TYR 69 4.646 -2.154 -6.921 534 HB2 TYR 69 HB2 TYR 69 3.400 -2.930 -4.304 535 HB3 TYR 69 HB3 TYR 69 3.840 -4.163 -5.478 536 HD1 TYR 69 HD1 TYR 69 6.002 -1.133 -5.299 537 HD2 TYR 69 HD2 TYR 69 5.365 -5.161 -3.843 538 HE1 TYR 69 HE1 TYR 69 8.272 -1.188 -4.520 539 HE2 TYR 69 HE2 TYR 69 7.711 -5.220 -3.043 540 HH TYR 69 HH TYR 69 9.993 -2.574 -3.697 541 H HIS 70 H HIS 70 1.160 -2.153 -5.858 542 HA HIS 70 HA HIS 70 0.455 -4.041 -7.903 543 HB2 HIS 70 HB2 HIS 70 -1.133 -3.798 -6.200 544 HB3 HIS 70 HB3 HIS 70 -1.107 -2.041 -6.292 545 HD1 HIS 70 HD1 HIS 70 -2.593 -5.036 -8.393 546 HD2 HIS 70 HD2 HIS 70 -2.588 -0.846 -7.989 547 HE1 HIS 70 HE1 HIS 70 -4.394 -4.171 -9.923 548 H ALA 71 H ALA 71 0.870 -0.460 -7.972 549 HA ALA 71 HA ALA 71 -0.223 -0.044 -10.521 550 HB1 ALA 71 HB1 ALA 71 1.010 2.052 -10.497 551 HB2 ALA 71 HB2 ALA 71 0.318 1.707 -8.897 552 HB3 ALA 71 HB3 ALA 71 2.063 1.440 -9.201 553 H LYS 72 H LYS 72 2.722 -1.748 -9.846 554 HA LYS 72 HA LYS 72 3.667 -1.319 -12.660 555 HB2 LYS 72 HB2 LYS 72 5.739 -2.421 -12.022 556 HB3 LYS 72 HB3 LYS 72 5.488 -0.924 -11.149 557 HG2 LYS 72 HG2 LYS 72 5.051 -2.009 -9.121 558 HG3 LYS 72 HG3 LYS 72 4.644 -3.544 -9.924 559 HD2 LYS 72 HD2 LYS 72 6.906 -3.964 -10.518 560 HD3 LYS 72 HD3 LYS 72 7.441 -2.396 -9.831 561 HE2 LYS 72 HE2 LYS 72 6.821 -3.113 -7.595 562 HE3 LYS 72 HE3 LYS 72 5.968 -4.534 -8.245 563 HZ1 LYS 72 HZ1 LYS 72 8.081 -5.337 -9.076 564 HZ2 LYS 72 HZ2 LYS 72 8.095 -5.207 -7.451 565 HZ3 LYS 72 HZ3 LYS 72 8.885 -4.087 -8.382 566 H HIS 73 H HIS 73 1.670 -3.380 -10.884 567 HA HIS 73 HA HIS 73 2.267 -5.680 -12.666 568 HB2 HIS 73 HB2 HIS 73 0.931 -5.690 -9.950 569 HB3 HIS 73 HB3 HIS 73 1.288 -7.094 -10.950 570 HD1 HIS 73 HD1 HIS 73 2.368 -6.829 -7.998 571 HD2 HIS 73 HD2 HIS 73 4.463 -5.963 -11.560 572 HE1 HIS 73 HE1 HIS 73 4.872 -7.003 -7.451 573 H CYS 74 H CYS 74 -0.070 -3.239 -11.961 574 HA CYS 74 HA CYS 74 -2.439 -4.758 -12.577 575 HB2 CYS 74 HB2 CYS 74 -2.112 -2.452 -11.339 576 HB3 CYS 74 HB3 CYS 74 -2.196 -1.780 -12.990 577 H GLN 75 H GLN 75 -2.600 -5.698 -14.522 578 HA GLN 75 HA GLN 75 -1.035 -4.872 -16.827 579 HB2 GLN 75 HB2 GLN 75 -2.308 -6.531 -18.023 580 HB3 GLN 75 HB3 GLN 75 -1.536 -7.166 -16.555 581 HG2 GLN 75 HG2 GLN 75 -3.819 -7.189 -15.494 582 HG3 GLN 75 HG3 GLN 75 -4.495 -6.765 -17.081 583 HE21 GLN 75 HE21 GLN 75 -5.065 -9.238 -15.629 584 HE22 GLN 75 HE22 GLN 75 -4.353 -10.579 -16.511 585 H GLU 76 H GLU 76 -4.280 -4.559 -15.808 586 HA GLU 76 HA GLU 76 -5.523 -3.428 -18.122 587 HB2 GLU 76 HB2 GLU 76 -6.174 -3.044 -15.171 588 HB3 GLU 76 HB3 GLU 76 -7.252 -2.639 -16.515 589 HG2 GLU 76 HG2 GLU 76 -7.342 -4.994 -17.215 590 HG3 GLU 76 HG3 GLU 76 -6.180 -5.455 -15.967 591 H ASN 77 H ASN 77 -5.207 -1.477 -19.073 592 HA ASN 77 HA ASN 77 -3.539 0.497 -17.820 593 HB2 ASN 77 HB2 ASN 77 -5.137 0.490 -20.396 594 HB3 ASN 77 HB3 ASN 77 -4.294 1.930 -19.847 595 HD21 ASN 77 HD21 ASN 77 -1.884 1.299 -18.942 596 HD22 ASN 77 HD22 ASN 77 -1.054 0.102 -19.918 597 H LYS 78 H LYS 78 -6.743 -0.168 -17.211 598 HA LYS 78 HA LYS 78 -7.280 2.533 -16.087 599 HB2 LYS 78 HB2 LYS 78 -9.195 0.813 -17.707 600 HB3 LYS 78 HB3 LYS 78 -9.687 2.176 -16.675 601 HG2 LYS 78 HG2 LYS 78 -8.437 3.760 -18.003 602 HG3 LYS 78 HG3 LYS 78 -7.703 2.466 -18.972 603 HD2 LYS 78 HD2 LYS 78 -9.437 3.477 -20.268 604 HD3 LYS 78 HD3 LYS 78 -9.936 1.840 -19.826 605 HE2 LYS 78 HE2 LYS 78 -11.307 2.828 -17.953 606 HE3 LYS 78 HE3 LYS 78 -10.850 4.442 -18.523 607 HZ1 LYS 78 HZ1 LYS 78 -13.026 3.709 -19.390 608 HZ2 LYS 78 HZ2 LYS 78 -12.303 2.439 -20.125 609 HZ3 LYS 78 HZ3 LYS 78 -11.961 3.943 -20.619 610 H CYS 79 H CYS 79 -6.509 1.723 -14.113 611 HA CYS 79 HA CYS 79 -7.298 -0.723 -12.927 612 HB2 CYS 79 HB2 CYS 79 -6.417 1.887 -11.605 613 HB3 CYS 79 HB3 CYS 79 -6.326 0.274 -10.890 614 HA PRO 80 HA PRO 80 -11.173 0.647 -11.048 615 HB2 PRO 80 HB2 PRO 80 -11.648 -1.341 -9.284 616 HB3 PRO 80 HB3 PRO 80 -11.548 -1.681 -11.038 617 HG2 PRO 80 HG2 PRO 80 -9.377 -2.052 -8.953 618 HG3 PRO 80 HG3 PRO 80 -9.917 -3.208 -10.207 619 HD2 PRO 80 HD2 PRO 80 -7.750 -1.527 -10.537 620 HD3 PRO 80 HD3 PRO 80 -8.764 -2.089 -11.886 621 H VAL 81 H VAL 81 -8.160 0.739 -9.551 622 HA VAL 81 HA VAL 81 -9.067 1.781 -6.944 623 HB VAL 81 HB VAL 81 -6.346 0.766 -7.848 624 HG11 VAL 81 HG11 VAL 81 -6.120 2.493 -6.122 625 HG12 VAL 81 HG12 VAL 81 -7.356 1.706 -5.137 626 HG13 VAL 81 HG13 VAL 81 -5.775 0.920 -5.415 627 HG21 VAL 81 HG21 VAL 81 -8.576 -0.544 -6.277 628 HG22 VAL 81 HG22 VAL 81 -7.649 -1.176 -7.649 629 HG23 VAL 81 HG23 VAL 81 -6.884 -1.043 -6.068 630 HA PRO 82 HA PRO 82 -8.067 5.690 -8.911 631 HB2 PRO 82 HB2 PRO 82 -8.377 7.398 -6.779 632 HB3 PRO 82 HB3 PRO 82 -9.729 6.651 -7.686 633 HG2 PRO 82 HG2 PRO 82 -8.528 5.801 -5.052 634 HG3 PRO 82 HG3 PRO 82 -10.259 5.905 -5.508 635 HD2 PRO 82 HD2 PRO 82 -8.859 3.538 -5.554 636 HD3 PRO 82 HD3 PRO 82 -10.159 3.883 -6.710 637 H PHE 83 H PHE 83 -6.331 4.722 -5.859 638 HA PHE 83 HA PHE 83 -4.316 6.772 -6.306 639 HB2 PHE 83 HB2 PHE 83 -4.472 4.433 -4.424 640 HB3 PHE 83 HB3 PHE 83 -2.962 5.276 -4.716 641 HD1 PHE 83 HD1 PHE 83 -6.128 7.314 -4.757 642 HD2 PHE 83 HD2 PHE 83 -2.780 5.923 -2.412 643 HE1 PHE 83 HE1 PHE 83 -6.545 9.094 -3.121 644 HE2 PHE 83 HE2 PHE 83 -3.183 7.760 -0.785 645 HZ PHE 83 HZ PHE 83 -5.083 9.352 -1.127 646 H CYS 84 H CYS 84 -4.825 3.517 -7.542 647 HA CYS 84 HA CYS 84 -2.203 2.980 -8.456 648 HB2 CYS 84 HB2 CYS 84 -4.427 1.477 -8.390 649 HB3 CYS 84 HB3 CYS 84 -4.702 2.139 -9.992 650 H LEU 85 H LEU 85 -4.986 4.276 -10.313 651 HA LEU 85 HA LEU 85 -3.421 5.060 -12.533 652 HB2 LEU 85 HB2 LEU 85 -5.331 6.113 -13.431 653 HB3 LEU 85 HB3 LEU 85 -5.793 4.617 -12.646 654 HG LEU 85 HG LEU 85 -6.453 6.192 -10.629 655 HD11 LEU 85 HD11 LEU 85 -7.375 8.388 -11.503 656 HD12 LEU 85 HD12 LEU 85 -6.492 8.107 -13.008 657 HD13 LEU 85 HD13 LEU 85 -5.616 8.339 -11.485 658 HD21 LEU 85 HD21 LEU 85 -8.724 6.376 -11.542 659 HD22 LEU 85 HD22 LEU 85 -8.014 4.806 -11.929 660 HD23 LEU 85 HD23 LEU 85 -8.105 6.066 -13.175 661 H ASN 86 H ASN 86 -3.919 6.649 -9.502 662 HA ASN 86 HA ASN 86 -3.173 9.336 -10.348 663 HB2 ASN 86 HB2 ASN 86 -4.459 9.042 -8.288 664 HB3 ASN 86 HB3 ASN 86 -3.214 7.975 -7.649 665 HD21 ASN 86 HD21 ASN 86 -3.518 11.346 -8.913 666 HD22 ASN 86 HD22 ASN 86 -2.357 12.016 -7.846 667 H ILE 87 H ILE 87 -1.458 6.666 -8.622 668 HA ILE 87 HA ILE 87 1.127 7.733 -8.621 669 HB ILE 87 HB ILE 87 -0.009 4.927 -8.580 670 HG12 ILE 87 HG12 ILE 87 1.447 6.550 -6.438 671 HG13 ILE 87 HG13 ILE 87 -0.291 6.642 -6.672 672 HG21 ILE 87 HG21 ILE 87 2.942 5.668 -8.341 673 HG22 ILE 87 HG22 ILE 87 2.244 4.109 -7.864 674 HG23 ILE 87 HG23 ILE 87 2.192 4.585 -9.547 675 HD11 ILE 87 HD11 ILE 87 1.284 4.210 -5.811 676 HD12 ILE 87 HD12 ILE 87 0.010 5.084 -4.953 677 HD13 ILE 87 HD13 ILE 87 -0.403 4.125 -6.375 678 H LYS 88 H LYS 88 -0.476 5.643 -11.086 679 HA LYS 88 HA LYS 88 1.770 5.317 -12.698 680 HB2 LYS 88 HB2 LYS 88 -0.738 4.307 -12.793 681 HB3 LYS 88 HB3 LYS 88 -0.915 5.538 -14.045 682 HG2 LYS 88 HG2 LYS 88 -0.226 3.572 -15.190 683 HG3 LYS 88 HG3 LYS 88 1.237 4.557 -15.078 684 HD2 LYS 88 HD2 LYS 88 1.807 3.197 -12.951 685 HD3 LYS 88 HD3 LYS 88 0.479 2.148 -13.373 686 HE2 LYS 88 HE2 LYS 88 2.939 2.688 -15.108 687 HE3 LYS 88 HE3 LYS 88 2.682 1.281 -14.066 688 HZ1 LYS 88 HZ1 LYS 88 0.733 0.719 -15.487 689 HZ2 LYS 88 HZ2 LYS 88 2.205 0.627 -16.176 690 HZ3 LYS 88 HZ3 LYS 88 1.283 1.886 -16.556 691 H GLN 89 H GLN 89 -0.418 8.187 -12.702 692 HA GLN 89 HA GLN 89 0.942 9.188 -15.093 693 HB2 GLN 89 HB2 GLN 89 -1.038 10.450 -13.176 694 HB3 GLN 89 HB3 GLN 89 -0.387 11.269 -14.595 695 HG2 GLN 89 HG2 GLN 89 -1.975 8.660 -14.675 696 HG3 GLN 89 HG3 GLN 89 -2.618 10.267 -15.018 697 HE21 GLN 89 HE21 GLN 89 -2.151 11.294 -17.005 698 HE22 GLN 89 HE22 GLN 89 -1.376 10.436 -18.337 699 H LYS 90 H LYS 90 1.473 9.591 -11.605 700 HA LYS 90 HA LYS 90 3.260 11.880 -12.049 701 HB2 LYS 90 HB2 LYS 90 3.522 11.897 -9.632 702 HB3 LYS 90 HB3 LYS 90 1.825 11.865 -10.136 703 HG2 LYS 90 HG2 LYS 90 1.666 9.501 -9.612 704 HG3 LYS 90 HG3 LYS 90 3.365 9.403 -9.179 705 HD2 LYS 90 HD2 LYS 90 2.096 9.486 -7.164 706 HD3 LYS 90 HD3 LYS 90 2.931 11.043 -7.336 707 HE2 LYS 90 HE2 LYS 90 0.867 12.062 -8.242 708 HE3 LYS 90 HE3 LYS 90 0.044 10.490 -8.156 709 HZ1 LYS 90 HZ1 LYS 90 -0.350 12.095 -6.263 710 HZ2 LYS 90 HZ2 LYS 90 1.144 11.790 -5.738 711 HZ3 LYS 90 HZ3 LYS 90 0.001 10.582 -5.867 712 H GLY 91 H GLY 91 4.224 9.692 -13.545 713 HA2 GLY 91 HA2 GLY 91 6.211 8.653 -13.976 714 HA3 GLY 91 HA3 GLY 91 6.930 9.666 -12.711 715 H GLY 92 H GLY 92 4.269 7.420 -11.941 716 HA2 GLY 92 HA2 GLY 92 4.169 5.595 -10.580 717 HA3 GLY 92 HA3 GLY 92 5.769 5.159 -11.198 718 H SER 93 H SER 93 4.958 8.100 -9.309 719 HA SER 93 HA SER 93 5.872 8.964 -7.393 720 HB2 SER 93 HB2 SER 93 5.546 6.090 -6.464 721 HB3 SER 93 HB3 SER 93 5.858 7.473 -5.413 722 HG SER 93 HG SER 93 3.641 6.725 -5.740 723 H GLY 94 H GLY 94 7.812 8.948 -9.109 724 HA2 GLY 94 HA2 GLY 94 10.106 9.121 -9.157 725 HA3 GLY 94 HA3 GLY 94 10.205 8.303 -7.598 726 H GLY 95 H GLY 95 8.297 6.302 -9.484 727 HA2 GLY 95 HA2 GLY 95 8.574 4.478 -10.818 728 HA3 GLY 95 HA3 GLY 95 10.247 4.953 -11.156 729 H GLY 96 H GLY 96 11.351 5.075 -8.797 730 HA2 GLY 96 HA2 GLY 96 10.980 3.118 -6.777 731 HA3 GLY 96 HA3 GLY 96 12.120 2.502 -7.992 732 H THR 97 H THR 97 12.670 5.655 -8.398 733 HA THR 97 HA THR 97 14.391 6.893 -8.090 734 HB THR 97 HB THR 97 12.588 7.812 -6.868 735 HG1 THR 97 HG1 THR 97 13.701 9.387 -5.976 736 HG21 THR 97 HG21 THR 97 13.850 6.896 -4.284 737 HG22 THR 97 HG22 THR 97 12.349 6.228 -4.979 738 HG23 THR 97 HG23 THR 97 12.412 7.920 -4.494 739 H GLY 98 H GLY 98 15.923 5.397 -8.614 740 HA2 GLY 98 HA2 GLY 98 18.013 4.510 -8.395 741 HA3 GLY 98 HA3 GLY 98 18.027 4.974 -6.696 742 H GLY 99 H GLY 99 15.268 3.357 -6.695 743 HA2 GLY 99 HA2 GLY 99 14.512 1.254 -6.282 744 HA3 GLY 99 HA3 GLY 99 15.955 0.599 -7.072 745 H GLY 100 H GLY 100 16.939 2.722 -4.578 746 HA2 GLY 100 HA2 GLY 100 17.160 2.345 -2.246 747 HA3 GLY 100 HA3 GLY 100 16.961 0.602 -2.486 748 H SER 101 H SER 101 18.985 2.748 -4.508 749 HA SER 101 HA SER 101 21.224 0.978 -4.411 750 HB2 SER 101 HB2 SER 101 20.641 2.576 -6.268 751 HB3 SER 101 HB3 SER 101 21.156 3.920 -5.233 752 HG SER 101 HG SER 101 22.751 3.147 -6.716 753 H GLY 102 H GLY 102 23.391 1.629 -3.662 754 HA2 GLY 102 HA2 GLY 102 24.886 2.804 -2.212 755 HA3 GLY 102 HA3 GLY 102 23.517 3.318 -1.210 756 H THR 103 H THR 103 24.458 0.058 -2.554 757 HA THR 103 HA THR 103 23.714 -1.221 -0.064 758 HB THR 103 HB THR 103 25.190 -2.499 -2.356 759 HG1 THR 103 HG1 THR 103 23.565 -2.195 -3.561 760 HG21 THR 103 HG21 THR 103 23.827 -4.462 -1.663 761 HG22 THR 103 HG22 THR 103 23.189 -3.502 -0.309 762 HG23 THR 103 HG23 THR 103 24.914 -3.887 -0.383 763 H ILE 104 H ILE 104 25.139 -1.989 1.520 764 HA ILE 104 HA ILE 104 27.580 -0.726 1.917 765 HB ILE 104 HB ILE 104 27.018 -3.444 3.125 766 HG12 ILE 104 HG12 ILE 104 25.621 -0.877 3.963 767 HG13 ILE 104 HG13 ILE 104 24.860 -2.313 3.269 768 HG21 ILE 104 HG21 ILE 104 28.203 -2.528 5.026 769 HG22 ILE 104 HG22 ILE 104 29.161 -2.201 3.590 770 HG23 ILE 104 HG23 ILE 104 28.198 -0.898 4.313 771 HD11 ILE 104 HD11 ILE 104 26.183 -2.167 5.991 772 HD12 ILE 104 HD12 ILE 104 24.466 -2.353 5.615 773 HD13 ILE 104 HD13 ILE 104 25.598 -3.662 5.218 774 H GLU 105 H GLU 105 27.126 -4.179 0.938 775 HA GLU 105 HA GLU 105 29.912 -4.176 -0.107 776 HB2 GLU 105 HB2 GLU 105 28.029 -6.495 0.421 777 HB3 GLU 105 HB3 GLU 105 29.772 -6.611 0.200 778 HG2 GLU 105 HG2 GLU 105 30.250 -5.897 2.394 779 HG3 GLU 105 HG3 GLU 105 28.623 -5.212 2.635 780 H GLY 106 H GLY 106 27.225 -3.482 -1.465 781 HA2 GLY 106 HA2 GLY 106 26.310 -3.731 -3.688 782 HA3 GLY 106 HA3 GLY 106 27.897 -4.362 -4.127 783 H ARG 107 H ARG 107 26.082 -5.772 -1.549 784 HA ARG 107 HA ARG 107 24.851 -8.081 -2.819 785 HB2 ARG 107 HB2 ARG 107 27.432 -8.375 -2.351 786 HB3 ARG 107 HB3 ARG 107 26.945 -8.446 -0.660 787 HG2 ARG 107 HG2 ARG 107 25.375 -10.340 -1.257 788 HG3 ARG 107 HG3 ARG 107 25.996 -10.275 -2.908 789 HD2 ARG 107 HD2 ARG 107 27.370 -11.106 -0.371 790 HD3 ARG 107 HD3 ARG 107 27.219 -12.000 -1.879 791 HE ARG 107 HE ARG 107 28.773 -10.420 -2.928 792 HH11 ARG 107 HH11 ARG 107 28.796 -10.416 0.631 793 HH12 ARG 107 HH12 ARG 107 29.840 -9.121 0.834 794 HH21 ARG 107 HH21 ARG 107 30.369 -8.813 -2.766 795 HH22 ARG 107 HH22 ARG 107 30.955 -8.306 -1.219 796 H GLY 108 H GLY 108 23.441 -9.043 -0.999 797 HA2 GLY 108 HA2 GLY 108 22.363 -8.928 1.044 798 HA3 GLY 108 HA3 GLY 108 23.607 -7.829 1.644 799 H ASP 109 H ASP 109 22.128 -6.949 -1.310 800 HA ASP 109 HA ASP 109 21.225 -4.379 -0.635 801 HB2 ASP 109 HB2 ASP 109 21.640 -4.837 -2.886 802 HB3 ASP 109 HB3 ASP 109 20.762 -6.367 -2.834 803 H GLY 110 H GLY 110 19.212 -7.303 -1.196 804 HA2 GLY 110 HA2 GLY 110 17.309 -8.021 -0.089 805 HA3 GLY 110 HA3 GLY 110 17.326 -6.564 0.926 806 H GLY 111 H GLY 111 17.527 -4.693 -1.341 807 HA2 GLY 111 HA2 GLY 111 16.347 -3.475 -2.781 808 HA3 GLY 111 HA3 GLY 111 15.528 -4.960 -3.290 809 H THR 112 H THR 112 14.485 -5.265 -0.436 810 HA THR 112 HA THR 112 12.061 -3.652 -0.797 811 HB THR 112 HB THR 112 11.394 -5.287 1.205 812 HG1 THR 112 HG1 THR 112 13.376 -6.781 -0.218 813 HG21 THR 112 HG21 THR 112 10.664 -6.907 -0.467 814 HG22 THR 112 HG22 THR 112 11.747 -6.166 -1.687 815 HG23 THR 112 HG23 THR 112 10.395 -5.231 -0.996 816 H THR 113 H THR 113 14.814 -2.635 0.350 817 HA THR 113 HA THR 113 14.683 -2.003 2.936 818 HB THR 113 HB THR 113 15.600 -0.083 0.775 819 HG1 THR 113 HG1 THR 113 17.397 -1.307 0.586 820 HG21 THR 113 HG21 THR 113 15.864 0.816 3.042 821 HG22 THR 113 HG22 THR 113 17.442 0.359 2.434 822 HG23 THR 113 HG23 THR 113 16.605 -0.695 3.598 823 H PHE 114 H PHE 114 12.478 -0.656 0.597 824 HA PHE 114 HA PHE 114 11.764 1.751 1.863 825 HB2 PHE 114 HB2 PHE 114 9.840 1.775 0.591 826 HB3 PHE 114 HB3 PHE 114 10.936 0.829 -0.401 827 HD1 PHE 114 HD1 PHE 114 7.778 0.913 1.394 828 HD2 PHE 114 HD2 PHE 114 10.675 -1.746 -0.366 829 HE1 PHE 114 HE1 PHE 114 6.116 -0.917 1.443 830 HE2 PHE 114 HE2 PHE 114 8.969 -3.547 -0.429 831 HZ PHE 114 HZ PHE 114 6.703 -3.151 0.493 832 H GLU 115 H GLU 115 11.297 -1.558 2.919 833 HA GLU 115 HA GLU 115 9.129 -1.515 4.626 834 HB2 GLU 115 HB2 GLU 115 10.335 -3.251 5.878 835 HB3 GLU 115 HB3 GLU 115 10.562 -3.495 4.136 836 HG2 GLU 115 HG2 GLU 115 12.803 -2.515 4.244 837 HG3 GLU 115 HG3 GLU 115 12.618 -2.124 5.953 838 H HIS 116 H HIS 116 12.270 0.090 5.016 839 HA HIS 116 HA HIS 116 12.262 0.462 7.784 840 HB2 HIS 116 HB2 HIS 116 14.087 1.763 7.478 841 HB3 HIS 116 HB3 HIS 116 14.116 0.882 5.971 842 HD1 HIS 116 HD1 HIS 116 13.571 4.314 7.466 843 HD2 HIS 116 HD2 HIS 116 13.650 2.469 3.692 844 HE1 HIS 116 HE1 HIS 116 13.617 6.186 5.736 845 H LEU 117 H LEU 117 10.433 2.193 5.295 846 HA LEU 117 HA LEU 117 9.752 4.489 6.869 847 HB2 LEU 117 HB2 LEU 117 8.540 3.152 4.444 848 HB3 LEU 117 HB3 LEU 117 7.693 4.451 5.271 849 HG LEU 117 HG LEU 117 9.983 5.753 4.923 850 HD11 LEU 117 HD11 LEU 117 11.172 5.113 2.894 851 HD12 LEU 117 HD12 LEU 117 10.069 3.753 2.610 852 HD13 LEU 117 HD13 LEU 117 11.175 3.728 3.984 853 HD21 LEU 117 HD21 LEU 117 7.817 6.356 3.879 854 HD22 LEU 117 HD22 LEU 117 8.073 5.119 2.629 855 HD23 LEU 117 HD23 LEU 117 9.159 6.532 2.726 856 H TRP 118 H TRP 118 8.538 1.121 6.971 857 HA TRP 118 HA TRP 118 6.039 1.765 8.240 858 HB2 TRP 118 HB2 TRP 118 7.649 -0.791 8.450 859 HB3 TRP 118 HB3 TRP 118 5.961 -0.573 8.858 860 HD1 TRP 118 HD1 TRP 118 7.787 -2.143 6.421 861 HE1 TRP 118 HE1 TRP 118 6.521 -2.480 4.218 862 HE3 TRP 118 HE3 TRP 118 4.118 1.305 7.151 863 HZ2 TRP 118 HZ2 TRP 118 4.286 -1.154 2.830 864 HZ3 TRP 118 HZ3 TRP 118 2.436 1.777 5.397 865 HH2 TRP 118 HH2 TRP 118 2.555 0.632 3.212 866 H SER 119 H SER 119 9.270 1.842 9.327 867 HA SER 119 HA SER 119 8.898 1.284 12.118 868 HB2 SER 119 HB2 SER 119 11.101 1.363 10.878 869 HB3 SER 119 HB3 SER 119 10.952 3.142 10.847 870 HG SER 119 HG SER 119 10.648 2.844 13.235 871 H SER 120 H SER 120 7.679 3.897 10.240 872 HA SER 120 HA SER 120 7.547 5.738 12.572 873 HB2 SER 120 HB2 SER 120 6.919 6.404 9.687 874 HB3 SER 120 HB3 SER 120 7.342 7.500 11.013 875 HG SER 120 HG SER 120 9.450 6.359 10.995 876 H LEU 121 H LEU 121 5.771 3.261 11.321 877 HA LEU 121 HA LEU 121 3.178 4.522 10.969 878 HB2 LEU 121 HB2 LEU 121 4.072 2.402 9.839 879 HB3 LEU 121 HB3 LEU 121 3.813 1.567 11.360 880 HG LEU 121 HG LEU 121 1.451 3.098 10.442 881 HD11 LEU 121 HD11 LEU 121 2.327 0.740 8.727 882 HD12 LEU 121 HD12 LEU 121 2.342 2.439 8.209 883 HD13 LEU 121 HD13 LEU 121 0.811 1.653 8.593 884 HD21 LEU 121 HD21 LEU 121 1.388 1.325 12.240 885 HD22 LEU 121 HD22 LEU 121 1.758 0.126 11.008 886 HD23 LEU 121 HD23 LEU 121 0.245 1.052 10.920 887 H GLU 122 H GLU 122 1.310 3.627 12.370 888 HA GLU 122 HA GLU 122 1.672 4.537 15.003 889 HB2 GLU 122 HB2 GLU 122 -0.498 3.050 13.499 890 HB3 GLU 122 HB3 GLU 122 -0.654 3.240 15.244 891 HG2 GLU 122 HG2 GLU 122 -0.150 5.583 13.355 892 HG3 GLU 122 HG3 GLU 122 -1.749 5.057 13.860 893 HA PRO 123 HA PRO 123 3.366 1.009 16.954 894 HB2 PRO 123 HB2 PRO 123 2.569 1.318 19.582 895 HB3 PRO 123 HB3 PRO 123 3.870 2.246 18.771 896 HG2 PRO 123 HG2 PRO 123 0.974 3.057 19.189 897 HG3 PRO 123 HG3 PRO 123 2.461 4.029 19.462 898 HD2 PRO 123 HD2 PRO 123 1.005 4.289 17.191 899 HD3 PRO 123 HD3 PRO 123 2.795 4.357 17.145 900 H ASP 124 H ASP 124 -0.152 1.404 17.104 901 HA ASP 124 HA ASP 124 -0.364 -1.520 17.738 902 HB2 ASP 124 HB2 ASP 124 -2.553 0.522 17.966 903 HB3 ASP 124 HB3 ASP 124 -2.613 -1.165 18.454 904 H SER 125 H SER 125 -0.435 0.608 15.152 905 HA SER 125 HA SER 125 -1.243 0.604 13.046 906 HB2 SER 125 HB2 SER 125 0.429 -1.278 13.408 907 HB3 SER 125 HB3 SER 125 -0.938 -2.400 13.358 908 HG SER 125 HG SER 125 0.330 -1.912 11.402 909 H THR 126 H THR 126 -3.565 1.106 14.406 910 HA THR 126 HA THR 126 -5.585 -0.840 14.196 911 HB THR 126 HB THR 126 -5.778 1.192 15.536 912 HG1 THR 126 HG1 THR 126 -7.714 0.152 14.870 913 HG21 THR 126 HG21 THR 126 -6.326 3.361 14.617 914 HG22 THR 126 HG22 THR 126 -6.250 2.735 12.956 915 HG23 THR 126 HG23 THR 126 -4.779 2.835 13.948 916 H TYR 127 H TYR 127 -4.166 1.003 11.556 917 HA TYR 127 HA TYR 127 -6.358 0.108 9.743 918 HB2 TYR 127 HB2 TYR 127 -5.753 1.983 8.348 919 HB3 TYR 127 HB3 TYR 127 -6.152 2.511 9.970 920 HD1 TYR 127 HD1 TYR 127 -3.558 2.418 7.395 921 HD2 TYR 127 HD2 TYR 127 -4.331 3.275 11.557 922 HE1 TYR 127 HE1 TYR 127 -1.357 3.562 7.572 923 HE2 TYR 127 HE2 TYR 127 -2.144 4.392 11.736 924 HH TYR 127 HH TYR 127 -0.108 5.117 8.934 925 H PHE 128 H PHE 128 -3.058 -0.667 10.476 926 HA PHE 128 HA PHE 128 -2.747 -1.909 7.814 927 HB2 PHE 128 HB2 PHE 128 -1.184 0.207 8.975 928 HB3 PHE 128 HB3 PHE 128 -0.191 -1.234 8.941 929 HD1 PHE 128 HD1 PHE 128 1.048 -1.616 6.956 930 HD2 PHE 128 HD2 PHE 128 -2.667 0.549 6.783 931 HE1 PHE 128 HE1 PHE 128 1.333 -1.319 4.522 932 HE2 PHE 128 HE2 PHE 128 -2.339 0.957 4.349 933 HZ PHE 128 HZ PHE 128 -0.333 0.001 3.200 934 H ASP 129 H ASP 129 -0.521 -3.390 8.199 935 HA ASP 129 HA ASP 129 -1.574 -5.499 9.949 936 HB2 ASP 129 HB2 ASP 129 0.091 -6.877 9.007 937 HB3 ASP 129 HB3 ASP 129 -0.801 -6.122 7.707 938 H LEU 130 H LEU 130 -0.867 -5.662 11.979 939 HA LEU 130 HA LEU 130 0.917 -3.739 13.136 940 HB2 LEU 130 HB2 LEU 130 -1.001 -4.632 14.363 941 HB3 LEU 130 HB3 LEU 130 -0.337 -6.275 14.263 942 HG LEU 130 HG LEU 130 1.484 -5.737 15.749 943 HD11 LEU 130 HD11 LEU 130 1.670 -3.449 16.788 944 HD12 LEU 130 HD12 LEU 130 0.516 -2.845 15.587 945 HD13 LEU 130 HD13 LEU 130 2.087 -3.484 15.075 946 HD21 LEU 130 HD21 LEU 130 -1.063 -4.430 16.828 947 HD22 LEU 130 HD22 LEU 130 0.252 -5.158 17.781 948 HD23 LEU 130 HD23 LEU 130 -0.772 -6.188 16.758 Start of MODEL 6 1 H1 ALA 1 H ALA 1 10.836 -15.230 -13.354 2 HA ALA 1 HA ALA 1 13.279 -15.196 -14.975 3 HB1 ALA 1 HB1 ALA 1 12.259 -13.124 -15.463 4 HB2 ALA 1 HB2 ALA 1 11.765 -12.867 -13.788 5 HB3 ALA 1 HB3 ALA 1 13.488 -12.753 -14.237 6 H THR 2 H THR 2 12.732 -13.545 -11.790 7 HA THR 2 HA THR 2 14.883 -15.303 -10.711 8 HB THR 2 HB THR 2 13.948 -12.537 -9.862 9 HG1 THR 2 HG1 THR 2 16.277 -13.430 -11.232 10 HG21 THR 2 HG21 THR 2 16.069 -12.443 -8.576 11 HG22 THR 2 HG22 THR 2 16.361 -14.156 -8.930 12 HG23 THR 2 HG23 THR 2 14.966 -13.663 -7.944 13 H GLN 3 H GLN 3 14.551 -16.073 -8.496 14 HA GLN 3 HA GLN 3 11.796 -16.007 -7.496 15 HB2 GLN 3 HB2 GLN 3 11.670 -18.430 -7.332 16 HB3 GLN 3 HB3 GLN 3 11.875 -17.946 -9.018 17 HG2 GLN 3 HG2 GLN 3 14.295 -18.567 -8.893 18 HG3 GLN 3 HG3 GLN 3 14.062 -19.068 -7.212 19 HE21 GLN 3 HE21 GLN 3 13.351 -19.852 -10.575 20 HE22 GLN 3 HE22 GLN 3 12.622 -21.425 -10.277 21 H SER 4 H SER 4 11.692 -16.697 -5.312 22 HA SER 4 HA SER 4 14.248 -16.806 -3.798 23 HB2 SER 4 HB2 SER 4 11.726 -15.373 -2.922 24 HB3 SER 4 HB3 SER 4 13.359 -15.245 -2.247 25 HG SER 4 HG SER 4 13.188 -13.489 -3.436 26 HA PRO 5 HA PRO 5 12.222 -20.338 -1.965 27 HB2 PRO 5 HB2 PRO 5 13.133 -20.386 0.628 28 HB3 PRO 5 HB3 PRO 5 14.174 -20.758 -0.771 29 HG2 PRO 5 HG2 PRO 5 13.951 -18.134 0.712 30 HG3 PRO 5 HG3 PRO 5 15.429 -19.020 0.225 31 HD2 PRO 5 HD2 PRO 5 14.438 -16.961 -1.262 32 HD3 PRO 5 HD3 PRO 5 15.171 -18.393 -2.037 33 H GLY 6 H GLY 6 11.989 -17.235 -0.416 34 HA2 GLY 6 HA2 GLY 6 9.652 -16.305 -0.249 35 HA3 GLY 6 HA3 GLY 6 9.338 -17.714 0.800 36 H ASP 7 H ASP 7 9.197 -15.074 1.897 37 HA ASP 7 HA ASP 7 11.133 -15.275 3.971 38 HB2 ASP 7 HB2 ASP 7 12.486 -13.975 2.266 39 HB3 ASP 7 HB3 ASP 7 11.216 -12.746 2.254 40 H SER 8 H SER 8 10.290 -14.162 5.830 41 HA SER 8 HA SER 8 7.624 -13.824 6.064 42 HB2 SER 8 HB2 SER 8 9.666 -12.168 7.564 43 HB3 SER 8 HB3 SER 8 8.143 -12.837 8.170 44 HG SER 8 HG SER 8 9.812 -14.043 8.932 45 H ARG 9 H ARG 9 10.036 -11.239 5.247 46 HA ARG 9 HA ARG 9 8.005 -9.178 5.203 47 HB2 ARG 9 HB2 ARG 9 9.665 -7.716 4.356 48 HB3 ARG 9 HB3 ARG 9 10.355 -8.701 5.634 49 HG2 ARG 9 HG2 ARG 9 11.095 -10.107 3.338 50 HG3 ARG 9 HG3 ARG 9 11.109 -8.464 2.761 51 HD2 ARG 9 HD2 ARG 9 12.530 -9.370 5.309 52 HD3 ARG 9 HD3 ARG 9 13.298 -9.374 3.710 53 HE ARG 9 HE ARG 9 12.133 -6.806 4.179 54 HH11 ARG 9 HH11 ARG 9 14.689 -8.584 5.809 55 HH12 ARG 9 HH12 ARG 9 15.742 -7.192 5.914 56 HH21 ARG 9 HH21 ARG 9 13.377 -5.144 4.239 57 HH22 ARG 9 HH22 ARG 9 14.940 -5.078 5.024 58 H ARG 10 H ARG 10 9.622 -11.000 2.570 59 HA ARG 10 HA ARG 10 8.310 -9.749 0.404 60 HB2 ARG 10 HB2 ARG 10 9.241 -12.625 0.769 61 HB3 ARG 10 HB3 ARG 10 8.530 -12.043 -0.731 62 HG2 ARG 10 HG2 ARG 10 10.948 -10.654 0.480 63 HG3 ARG 10 HG3 ARG 10 11.124 -12.106 -0.508 64 HD2 ARG 10 HD2 ARG 10 9.684 -9.589 -1.430 65 HD3 ARG 10 HD3 ARG 10 11.365 -9.968 -1.800 66 HE ARG 10 HE ARG 10 9.551 -12.111 -2.559 67 HH11 ARG 10 HH11 ARG 10 10.978 -9.010 -3.722 68 HH12 ARG 10 HH12 ARG 10 10.556 -9.310 -5.347 69 HH21 ARG 10 HH21 ARG 10 8.891 -12.361 -4.772 70 HH22 ARG 10 HH22 ARG 10 9.520 -11.322 -5.976 71 H LEU 11 H LEU 11 7.228 -12.517 2.346 72 HA LEU 11 HA LEU 11 4.837 -13.048 0.824 73 HB2 LEU 11 HB2 LEU 11 5.669 -13.802 3.653 74 HB3 LEU 11 HB3 LEU 11 4.274 -14.474 2.803 75 HG LEU 11 HG LEU 11 7.146 -14.724 1.767 76 HD11 LEU 11 HD11 LEU 11 6.959 -15.818 3.940 77 HD12 LEU 11 HD12 LEU 11 7.128 -17.003 2.636 78 HD13 LEU 11 HD13 LEU 11 5.535 -16.723 3.377 79 HD21 LEU 11 HD21 LEU 11 5.548 -14.958 -0.010 80 HD22 LEU 11 HD22 LEU 11 4.608 -16.140 0.945 81 HD23 LEU 11 HD23 LEU 11 6.255 -16.519 0.383 82 H SER 12 H SER 12 5.437 -11.366 3.966 83 HA SER 12 HA SER 12 2.805 -10.631 4.450 84 HB2 SER 12 HB2 SER 12 4.777 -10.537 5.989 85 HB3 SER 12 HB3 SER 12 5.307 -9.055 5.174 86 HG SER 12 HG SER 12 4.162 -8.684 7.051 87 H ILE 13 H ILE 13 5.316 -8.697 2.742 88 HA ILE 13 HA ILE 13 3.749 -6.444 2.160 89 HB ILE 13 HB ILE 13 6.005 -7.746 0.604 90 HG12 ILE 13 HG12 ILE 13 6.095 -5.267 2.337 91 HG13 ILE 13 HG13 ILE 13 6.375 -6.847 3.024 92 HG21 ILE 13 HG21 ILE 13 6.286 -5.445 -0.467 93 HG22 ILE 13 HG22 ILE 13 4.823 -6.275 -0.932 94 HG23 ILE 13 HG23 ILE 13 4.755 -4.977 0.279 95 HD11 ILE 13 HD11 ILE 13 8.274 -7.195 1.440 96 HD12 ILE 13 HD12 ILE 13 8.005 -5.556 0.805 97 HD13 ILE 13 HD13 ILE 13 8.500 -5.781 2.495 98 H GLN 14 H GLN 14 4.178 -9.498 0.203 99 HA GLN 14 HA GLN 14 2.399 -8.695 -1.883 100 HB2 GLN 14 HB2 GLN 14 3.269 -11.427 -0.899 101 HB3 GLN 14 HB3 GLN 14 2.154 -11.215 -2.250 102 HG2 GLN 14 HG2 GLN 14 3.779 -9.857 -3.474 103 HG3 GLN 14 HG3 GLN 14 4.924 -9.937 -2.142 104 HE21 GLN 14 HE21 GLN 14 5.666 -12.164 -1.485 105 HE22 GLN 14 HE22 GLN 14 5.839 -13.379 -2.765 106 H ARG 15 H ARG 15 1.668 -10.572 1.130 107 HA ARG 15 HA ARG 15 -1.080 -10.982 0.560 108 HB2 ARG 15 HB2 ARG 15 0.394 -10.567 3.205 109 HB3 ARG 15 HB3 ARG 15 -1.325 -10.920 3.103 110 HG2 ARG 15 HG2 ARG 15 -0.804 -13.035 1.888 111 HG3 ARG 15 HG3 ARG 15 0.918 -12.761 2.193 112 HD2 ARG 15 HD2 ARG 15 -1.268 -12.968 4.322 113 HD3 ARG 15 HD3 ARG 15 -0.184 -14.274 3.876 114 HE ARG 15 HE ARG 15 1.646 -13.214 4.891 115 HH11 ARG 15 HH11 ARG 15 -1.350 -11.322 5.447 116 HH12 ARG 15 HH12 ARG 15 -0.589 -10.320 6.640 117 HH21 ARG 15 HH21 ARG 15 2.496 -12.053 6.495 118 HH22 ARG 15 HH22 ARG 15 1.642 -10.790 7.342 119 H ALA 16 H ALA 16 0.578 -8.266 2.153 120 HA ALA 16 HA ALA 16 -1.718 -6.754 2.816 121 HB1 ALA 16 HB1 ALA 16 -0.178 -4.867 3.072 122 HB2 ALA 16 HB2 ALA 16 0.532 -6.336 3.770 123 HB3 ALA 16 HB3 ALA 16 1.095 -5.739 2.193 124 H ILE 17 H ILE 17 0.443 -6.516 -0.102 125 HA ILE 17 HA ILE 17 -0.989 -4.521 -1.465 126 HB ILE 17 HB ILE 17 0.619 -6.874 -2.539 127 HG12 ILE 17 HG12 ILE 17 1.447 -3.949 -2.518 128 HG13 ILE 17 HG13 ILE 17 1.646 -4.936 -1.074 129 HG21 ILE 17 HG21 ILE 17 0.862 -5.555 -4.664 130 HG22 ILE 17 HG22 ILE 17 -0.791 -6.093 -4.402 131 HG23 ILE 17 HG23 ILE 17 -0.349 -4.409 -4.059 132 HD11 ILE 17 HD11 ILE 17 3.677 -4.897 -2.353 133 HD12 ILE 17 HD12 ILE 17 3.023 -6.553 -2.304 134 HD13 ILE 17 HD13 ILE 17 2.865 -5.589 -3.777 135 H GLN 18 H GLN 18 -1.428 -8.093 -1.701 136 HA GLN 18 HA GLN 18 -3.536 -8.065 -3.564 137 HB2 GLN 18 HB2 GLN 18 -2.897 -9.969 -1.270 138 HB3 GLN 18 HB3 GLN 18 -4.142 -10.292 -2.482 139 HG2 GLN 18 HG2 GLN 18 -2.521 -10.230 -4.275 140 HG3 GLN 18 HG3 GLN 18 -1.216 -9.789 -3.191 141 HE21 GLN 18 HE21 GLN 18 -1.712 -12.230 -4.968 142 HE22 GLN 18 HE22 GLN 18 -1.402 -13.577 -3.885 143 H SER 19 H SER 19 -3.660 -7.853 0.008 144 HA SER 19 HA SER 19 -6.545 -7.759 0.139 145 HB2 SER 19 HB2 SER 19 -4.412 -6.819 2.118 146 HB3 SER 19 HB3 SER 19 -6.134 -7.059 2.473 147 HG SER 19 HG SER 19 -4.185 -8.986 1.737 148 H LEU 20 H LEU 20 -4.021 -5.309 -0.306 149 HA LEU 20 HA LEU 20 -5.559 -3.015 0.431 150 HB2 LEU 20 HB2 LEU 20 -2.949 -3.248 0.133 151 HB3 LEU 20 HB3 LEU 20 -3.262 -3.105 -1.577 152 HG LEU 20 HG LEU 20 -4.730 -1.019 -0.693 153 HD11 LEU 20 HD11 LEU 20 -4.231 -0.019 1.175 154 HD12 LEU 20 HD12 LEU 20 -2.532 -0.517 1.107 155 HD13 LEU 20 HD13 LEU 20 -3.810 -1.615 1.678 156 HD21 LEU 20 HD21 LEU 20 -1.718 -0.992 -1.136 157 HD22 LEU 20 HD22 LEU 20 -2.780 0.425 -1.299 158 HD23 LEU 20 HD23 LEU 20 -2.938 -0.933 -2.410 159 H VAL 21 H VAL 21 -4.589 -4.335 -2.801 160 HA VAL 21 HA VAL 21 -6.281 -2.580 -4.238 161 HB VAL 21 HB VAL 21 -4.366 -3.786 -5.231 162 HG11 VAL 21 HG11 VAL 21 -6.087 -6.280 -5.323 163 HG12 VAL 21 HG12 VAL 21 -4.444 -6.063 -5.950 164 HG13 VAL 21 HG13 VAL 21 -4.716 -6.030 -4.212 165 HG21 VAL 21 HG21 VAL 21 -5.927 -2.834 -6.782 166 HG22 VAL 21 HG22 VAL 21 -5.513 -4.440 -7.389 167 HG23 VAL 21 HG23 VAL 21 -7.063 -4.185 -6.593 168 H HIS 22 H HIS 22 -6.832 -5.916 -3.017 169 HA HIS 22 HA HIS 22 -9.376 -6.256 -4.099 170 HB2 HIS 22 HB2 HIS 22 -8.280 -8.126 -3.052 171 HB3 HIS 22 HB3 HIS 22 -8.239 -7.302 -1.481 172 HD1 HIS 22 HD1 HIS 22 -11.244 -7.913 -3.893 173 HD2 HIS 22 HD2 HIS 22 -10.001 -8.280 0.130 174 HE1 HIS 22 HE1 HIS 22 -13.261 -8.695 -2.596 175 H ALA 23 H ALA 23 -8.657 -4.903 -0.769 176 HA ALA 23 HA ALA 23 -11.363 -4.423 -0.173 177 HB1 ALA 23 HB1 ALA 23 -10.473 -2.795 1.481 178 HB2 ALA 23 HB2 ALA 23 -9.641 -4.372 1.496 179 HB3 ALA 23 HB3 ALA 23 -8.869 -2.949 0.719 180 H ALA 24 H ALA 24 -9.150 -2.503 -2.170 181 HA ALA 24 HA ALA 24 -10.689 -0.088 -2.092 182 HB1 ALA 24 HB1 ALA 24 -9.233 0.534 -4.015 183 HB2 ALA 24 HB2 ALA 24 -8.302 -0.092 -2.631 184 HB3 ALA 24 HB3 ALA 24 -8.605 -1.138 -4.033 185 H GLN 25 H GLN 25 -11.129 -3.079 -3.897 186 HA GLN 25 HA GLN 25 -13.286 -1.796 -5.521 187 HB2 GLN 25 HB2 GLN 25 -12.789 -3.448 -7.290 188 HB3 GLN 25 HB3 GLN 25 -11.450 -2.339 -6.980 189 HG2 GLN 25 HG2 GLN 25 -10.301 -4.048 -5.673 190 HG3 GLN 25 HG3 GLN 25 -11.646 -5.151 -5.826 191 HE21 GLN 25 HE21 GLN 25 -10.572 -6.829 -6.948 192 HE22 GLN 25 HE22 GLN 25 -9.636 -6.576 -8.425 193 H CYS 26 H CYS 26 -12.785 -3.804 -2.949 194 HA CYS 26 HA CYS 26 -14.417 -6.052 -3.437 195 HB2 CYS 26 HB2 CYS 26 -12.779 -5.844 -1.604 196 HB3 CYS 26 HB3 CYS 26 -13.797 -4.632 -0.817 197 H ARG 27 H ARG 27 -16.433 -5.846 -4.184 198 HA ARG 27 HA ARG 27 -18.391 -4.167 -2.660 199 HB2 ARG 27 HB2 ARG 27 -19.752 -3.893 -4.556 200 HB3 ARG 27 HB3 ARG 27 -18.133 -3.312 -4.937 201 HG2 ARG 27 HG2 ARG 27 -17.700 -5.337 -6.276 202 HG3 ARG 27 HG3 ARG 27 -19.288 -5.999 -5.845 203 HD2 ARG 27 HD2 ARG 27 -18.849 -3.364 -7.328 204 HD3 ARG 27 HD3 ARG 27 -19.195 -4.911 -8.112 205 HE ARG 27 HE ARG 27 -21.253 -4.538 -6.237 206 HH11 ARG 27 HH11 ARG 27 -20.096 -2.563 -9.066 207 HH12 ARG 27 HH12 ARG 27 -21.731 -2.219 -9.518 208 HH21 ARG 27 HH21 ARG 27 -23.391 -3.953 -7.047 209 HH22 ARG 27 HH22 ARG 27 -23.465 -2.873 -8.410 210 H ASN 28 H ASN 28 -17.335 -7.292 -3.133 211 HA ASN 28 HA ASN 28 -19.946 -8.628 -3.047 212 HB2 ASN 28 HB2 ASN 28 -17.116 -9.692 -2.685 213 HB3 ASN 28 HB3 ASN 28 -18.566 -10.678 -2.771 214 HD21 ASN 28 HD21 ASN 28 -19.925 -10.353 -4.840 215 HD22 ASN 28 HD22 ASN 28 -19.070 -9.936 -6.321 216 H ALA 29 H ALA 29 -21.048 -8.482 -1.167 217 HA ALA 29 HA ALA 29 -19.796 -7.753 1.349 218 HB1 ALA 29 HB1 ALA 29 -22.087 -8.040 2.226 219 HB2 ALA 29 HB2 ALA 29 -22.096 -7.070 0.732 220 HB3 ALA 29 HB3 ALA 29 -22.578 -8.790 0.685 221 H ASN 30 H ASN 30 -20.417 -10.769 -0.303 222 HA ASN 30 HA ASN 30 -20.815 -12.567 1.777 223 HB2 ASN 30 HB2 ASN 30 -20.984 -13.090 -0.638 224 HB3 ASN 30 HB3 ASN 30 -19.221 -13.015 -0.779 225 HD21 ASN 30 HD21 ASN 30 -18.600 -15.172 -1.093 226 HD22 ASN 30 HD22 ASN 30 -19.141 -16.501 -0.117 227 H CYS 31 H CYS 31 -17.636 -11.179 0.815 228 HA CYS 31 HA CYS 31 -16.181 -13.232 2.216 229 HB2 CYS 31 HB2 CYS 31 -14.217 -11.905 1.906 230 HB3 CYS 31 HB3 CYS 31 -15.144 -11.918 0.433 231 H SER 32 H SER 32 -14.699 -12.780 4.009 232 HA SER 32 HA SER 32 -15.285 -10.789 5.961 233 HB2 SER 32 HB2 SER 32 -17.147 -12.764 6.190 234 HB3 SER 32 HB3 SER 32 -15.843 -13.524 7.104 235 HG SER 32 HG SER 32 -15.764 -11.233 8.104 236 H LEU 33 H LEU 33 -13.017 -10.435 5.829 237 HA LEU 33 HA LEU 33 -11.240 -12.638 6.731 238 HB2 LEU 33 HB2 LEU 33 -11.051 -11.000 4.185 239 HB3 LEU 33 HB3 LEU 33 -9.590 -11.372 5.065 240 HG LEU 33 HG LEU 33 -10.234 -13.853 4.916 241 HD11 LEU 33 HD11 LEU 33 -12.118 -12.684 2.807 242 HD12 LEU 33 HD12 LEU 33 -12.543 -13.773 4.147 243 HD13 LEU 33 HD13 LEU 33 -11.581 -14.375 2.821 244 HD21 LEU 33 HD21 LEU 33 -8.415 -12.787 3.618 245 HD22 LEU 33 HD22 LEU 33 -9.588 -12.287 2.376 246 HD23 LEU 33 HD23 LEU 33 -9.252 -14.012 2.657 247 HA PRO 34 HA PRO 34 -9.880 -9.368 9.387 248 HB2 PRO 34 HB2 PRO 34 -7.235 -10.018 9.867 249 HB3 PRO 34 HB3 PRO 34 -8.645 -10.818 10.609 250 HG2 PRO 34 HG2 PRO 34 -7.027 -11.730 8.243 251 HG3 PRO 34 HG3 PRO 34 -7.633 -12.698 9.615 252 HD2 PRO 34 HD2 PRO 34 -8.934 -12.672 7.228 253 HD3 PRO 34 HD3 PRO 34 -9.833 -12.734 8.766 254 H SER 35 H SER 35 -7.532 -10.071 6.655 255 HA SER 35 HA SER 35 -6.545 -7.394 6.724 256 HB2 SER 35 HB2 SER 35 -6.448 -9.394 4.477 257 HB3 SER 35 HB3 SER 35 -5.495 -7.905 4.598 258 HG SER 35 HG SER 35 -4.495 -9.958 5.347 259 H CYS 36 H CYS 36 -9.259 -8.944 4.942 260 HA CYS 36 HA CYS 36 -9.698 -6.753 3.151 261 HB2 CYS 36 HB2 CYS 36 -10.682 -9.110 2.982 262 HB3 CYS 36 HB3 CYS 36 -11.835 -8.633 4.246 263 H GLN 37 H GLN 37 -11.331 -7.551 6.273 264 HA GLN 37 HA GLN 37 -12.854 -5.207 6.408 265 HB2 GLN 37 HB2 GLN 37 -13.286 -5.692 8.707 266 HB3 GLN 37 HB3 GLN 37 -13.254 -7.201 7.802 267 HG2 GLN 37 HG2 GLN 37 -10.979 -7.631 8.622 268 HG3 GLN 37 HG3 GLN 37 -11.002 -6.150 9.574 269 HE21 GLN 37 HE21 GLN 37 -11.584 -6.363 11.674 270 HE22 GLN 37 HE22 GLN 37 -12.553 -7.649 12.333 271 H LYS 38 H LYS 38 -9.498 -5.694 7.756 272 HA LYS 38 HA LYS 38 -9.535 -3.063 8.832 273 HB2 LYS 38 HB2 LYS 38 -7.274 -3.304 9.417 274 HB3 LYS 38 HB3 LYS 38 -8.018 -4.888 9.612 275 HG2 LYS 38 HG2 LYS 38 -7.121 -5.452 7.313 276 HG3 LYS 38 HG3 LYS 38 -6.172 -3.976 7.342 277 HD2 LYS 38 HD2 LYS 38 -5.935 -5.960 9.617 278 HD3 LYS 38 HD3 LYS 38 -5.189 -6.336 8.070 279 HE2 LYS 38 HE2 LYS 38 -3.621 -5.302 9.695 280 HE3 LYS 38 HE3 LYS 38 -3.740 -4.409 8.174 281 HZ1 LYS 38 HZ1 LYS 38 -5.208 -3.626 10.619 282 HZ2 LYS 38 HZ2 LYS 38 -4.937 -2.700 9.262 283 HZ3 LYS 38 HZ3 LYS 38 -3.718 -3.117 10.299 284 H MET 39 H MET 39 -8.576 -4.262 5.602 285 HA MET 39 HA MET 39 -7.292 -1.848 4.881 286 HB2 MET 39 HB2 MET 39 -8.351 -4.145 3.265 287 HB3 MET 39 HB3 MET 39 -7.563 -2.728 2.538 288 HG2 MET 39 HG2 MET 39 -6.279 -4.622 4.528 289 HG3 MET 39 HG3 MET 39 -6.030 -4.585 2.795 290 HE1 MET 39 HE1 MET 39 -2.615 -3.357 3.204 291 HE2 MET 39 HE2 MET 39 -3.594 -4.829 3.379 292 HE3 MET 39 HE3 MET 39 -3.824 -3.743 1.980 293 H LYS 40 H LYS 40 -10.720 -2.899 4.750 294 HA LYS 40 HA LYS 40 -11.656 -0.884 3.013 295 HB2 LYS 40 HB2 LYS 40 -12.928 -2.495 5.237 296 HB3 LYS 40 HB3 LYS 40 -13.722 -0.999 4.819 297 HG2 LYS 40 HG2 LYS 40 -14.865 -2.485 3.561 298 HG3 LYS 40 HG3 LYS 40 -13.766 -1.787 2.379 299 HD2 LYS 40 HD2 LYS 40 -12.410 -3.778 2.348 300 HD3 LYS 40 HD3 LYS 40 -13.186 -4.419 3.810 301 HE2 LYS 40 HE2 LYS 40 -14.624 -4.002 1.159 302 HE3 LYS 40 HE3 LYS 40 -13.874 -5.516 1.663 303 HZ1 LYS 40 HZ1 LYS 40 -16.162 -4.192 2.969 304 HZ2 LYS 40 HZ2 LYS 40 -15.375 -5.478 3.622 305 HZ3 LYS 40 HZ3 LYS 40 -16.155 -5.607 2.173 306 H ARG 41 H ARG 41 -10.665 -0.572 6.413 307 HA ARG 41 HA ARG 41 -11.823 2.066 6.806 308 HB2 ARG 41 HB2 ARG 41 -9.792 0.370 8.243 309 HB3 ARG 41 HB3 ARG 41 -9.901 2.076 8.628 310 HG2 ARG 41 HG2 ARG 41 -11.225 0.830 10.204 311 HG3 ARG 41 HG3 ARG 41 -12.211 1.933 9.248 312 HD2 ARG 41 HD2 ARG 41 -13.036 0.002 7.892 313 HD3 ARG 41 HD3 ARG 41 -12.028 -1.083 8.848 314 HE ARG 41 HE ARG 41 -13.529 -1.015 10.558 315 HH11 ARG 41 HH11 ARG 41 -14.420 1.594 8.295 316 HH12 ARG 41 HH12 ARG 41 -15.707 2.196 9.286 317 HH21 ARG 41 HH21 ARG 41 -15.424 -0.288 11.797 318 HH22 ARG 41 HH22 ARG 41 -16.224 1.140 11.322 319 H VAL 42 H VAL 42 -8.438 0.986 5.989 320 HA VAL 42 HA VAL 42 -7.523 3.659 5.834 321 HB VAL 42 HB VAL 42 -6.093 1.753 6.147 322 HG11 VAL 42 HG11 VAL 42 -6.864 0.107 4.720 323 HG12 VAL 42 HG12 VAL 42 -6.489 1.037 3.244 324 HG13 VAL 42 HG13 VAL 42 -5.193 0.418 4.295 325 HG21 VAL 42 HG21 VAL 42 -4.182 2.530 4.858 326 HG22 VAL 42 HG22 VAL 42 -5.258 3.367 3.710 327 HG23 VAL 42 HG23 VAL 42 -5.166 3.900 5.405 328 H VAL 43 H VAL 43 -8.967 1.583 3.255 329 HA VAL 43 HA VAL 43 -8.471 3.546 1.239 330 HB VAL 43 HB VAL 43 -10.211 2.339 -0.095 331 HG11 VAL 43 HG11 VAL 43 -8.975 0.239 -0.259 332 HG12 VAL 43 HG12 VAL 43 -7.844 1.581 -0.012 333 HG13 VAL 43 HG13 VAL 43 -8.251 0.497 1.337 334 HG21 VAL 43 HG21 VAL 43 -10.630 0.711 2.324 335 HG22 VAL 43 HG22 VAL 43 -11.825 1.763 1.549 336 HG23 VAL 43 HG23 VAL 43 -11.241 0.319 0.705 337 H GLN 44 H GLN 44 -11.252 3.074 3.485 338 HA GLN 44 HA GLN 44 -12.888 5.109 2.500 339 HB2 GLN 44 HB2 GLN 44 -13.787 3.622 4.097 340 HB3 GLN 44 HB3 GLN 44 -12.537 3.970 5.293 341 HG2 GLN 44 HG2 GLN 44 -13.399 6.197 5.702 342 HG3 GLN 44 HG3 GLN 44 -14.529 6.059 4.349 343 HE21 GLN 44 HE21 GLN 44 -14.271 5.764 7.727 344 HE22 GLN 44 HE22 GLN 44 -15.706 4.781 7.968 345 H HIS 45 H HIS 45 -10.270 5.303 4.936 346 HA HIS 45 HA HIS 45 -10.484 8.042 5.581 347 HB2 HIS 45 HB2 HIS 45 -9.171 6.512 6.888 348 HB3 HIS 45 HB3 HIS 45 -8.139 6.115 5.526 349 HD1 HIS 45 HD1 HIS 45 -8.457 8.677 8.282 350 HD2 HIS 45 HD2 HIS 45 -6.281 7.941 4.745 351 HE1 HIS 45 HE1 HIS 45 -6.531 10.344 8.233 352 H THR 46 H THR 46 -8.242 6.487 3.192 353 HA THR 46 HA THR 46 -7.363 8.900 2.125 354 HB THR 46 HB THR 46 -6.437 7.580 0.284 355 HG1 THR 46 HG1 THR 46 -8.213 5.672 1.353 356 HG21 THR 46 HG21 THR 46 -6.132 6.123 2.938 357 HG22 THR 46 HG22 THR 46 -5.491 7.774 2.667 358 HG23 THR 46 HG23 THR 46 -4.893 6.442 1.710 359 H LYS 47 H LYS 47 -10.364 7.308 1.226 360 HA LYS 47 HA LYS 47 -10.716 8.625 -1.305 361 HB2 LYS 47 HB2 LYS 47 -12.723 7.788 0.819 362 HB3 LYS 47 HB3 LYS 47 -13.213 8.490 -0.711 363 HG2 LYS 47 HG2 LYS 47 -12.385 6.654 -1.987 364 HG3 LYS 47 HG3 LYS 47 -11.507 5.985 -0.614 365 HD2 LYS 47 HD2 LYS 47 -13.707 5.699 0.588 366 HD3 LYS 47 HD3 LYS 47 -14.537 6.203 -0.871 367 HE2 LYS 47 HE2 LYS 47 -12.600 3.850 -0.746 368 HE3 LYS 47 HE3 LYS 47 -14.332 3.683 -0.435 369 HZ1 LYS 47 HZ1 LYS 47 -14.824 4.203 -2.654 370 HZ2 LYS 47 HZ2 LYS 47 -13.550 3.177 -2.697 371 HZ3 LYS 47 HZ3 LYS 47 -13.289 4.737 -2.990 372 H GLY 48 H GLY 48 -11.238 9.781 2.056 373 HA2 GLY 48 HA2 GLY 48 -12.278 12.369 1.125 374 HA3 GLY 48 HA3 GLY 48 -12.129 11.775 2.780 375 H CYS 49 H CYS 49 -9.091 11.110 1.660 376 HA CYS 49 HA CYS 49 -7.935 13.254 3.063 377 HB2 CYS 49 HB2 CYS 49 -6.943 11.027 1.259 378 HB3 CYS 49 HB3 CYS 49 -5.825 12.223 1.856 379 H LYS 50 H LYS 50 -8.310 15.303 2.320 380 HA LYS 50 HA LYS 50 -7.315 15.914 -0.456 381 HB2 LYS 50 HB2 LYS 50 -9.465 17.389 1.131 382 HB3 LYS 50 HB3 LYS 50 -8.823 17.894 -0.435 383 HG2 LYS 50 HG2 LYS 50 -10.339 15.301 0.111 384 HG3 LYS 50 HG3 LYS 50 -10.980 16.760 -0.633 385 HD2 LYS 50 HD2 LYS 50 -9.528 16.498 -2.591 386 HD3 LYS 50 HD3 LYS 50 -8.678 15.152 -1.812 387 HE2 LYS 50 HE2 LYS 50 -10.158 14.096 -3.285 388 HE3 LYS 50 HE3 LYS 50 -10.839 13.894 -1.667 389 HZ1 LYS 50 HZ1 LYS 50 -12.243 15.917 -2.279 390 HZ2 LYS 50 HZ2 LYS 50 -12.583 14.478 -2.991 391 HZ3 LYS 50 HZ3 LYS 50 -11.762 15.629 -3.841 392 H ARG 51 H ARG 51 -7.065 16.560 2.925 393 HA ARG 51 HA ARG 51 -5.533 18.921 2.738 394 HB2 ARG 51 HB2 ARG 51 -4.822 18.421 5.078 395 HB3 ARG 51 HB3 ARG 51 -6.563 18.427 4.808 396 HG2 ARG 51 HG2 ARG 51 -6.636 15.977 4.822 397 HG3 ARG 51 HG3 ARG 51 -4.873 15.908 4.948 398 HD2 ARG 51 HD2 ARG 51 -4.996 17.048 7.155 399 HD3 ARG 51 HD3 ARG 51 -6.766 17.051 7.025 400 HE ARG 51 HE ARG 51 -5.601 14.400 6.674 401 HH11 ARG 51 HH11 ARG 51 -6.588 16.696 9.218 402 HH12 ARG 51 HH12 ARG 51 -6.977 15.425 10.327 403 HH21 ARG 51 HH21 ARG 51 -5.927 12.807 8.264 404 HH22 ARG 51 HH22 ARG 51 -6.707 13.277 9.788 405 H LYS 52 H LYS 52 -4.619 15.764 1.894 406 HA LYS 52 HA LYS 52 -1.902 15.588 2.363 407 HB2 LYS 52 HB2 LYS 52 -1.801 14.025 0.501 408 HB3 LYS 52 HB3 LYS 52 -3.267 13.796 1.439 409 HG2 LYS 52 HG2 LYS 52 -4.310 15.414 -0.427 410 HG3 LYS 52 HG3 LYS 52 -2.946 14.846 -1.376 411 HD2 LYS 52 HD2 LYS 52 -4.940 13.027 0.019 412 HD3 LYS 52 HD3 LYS 52 -5.173 13.625 -1.619 413 HE2 LYS 52 HE2 LYS 52 -2.618 12.342 -1.518 414 HE3 LYS 52 HE3 LYS 52 -3.788 11.327 -0.626 415 HZ1 LYS 52 HZ1 LYS 52 -3.773 10.800 -3.017 416 HZ2 LYS 52 HZ2 LYS 52 -4.178 12.326 -3.374 417 HZ3 LYS 52 HZ3 LYS 52 -5.240 11.392 -2.523 418 H THR 53 H THR 53 -3.411 17.893 0.269 419 HA THR 53 HA THR 53 -1.275 18.488 -1.520 420 HB THR 53 HB THR 53 -3.686 20.000 -0.409 421 HG1 THR 53 HG1 THR 53 -4.691 19.324 -2.119 422 HG21 THR 53 HG21 THR 53 -1.894 20.797 -2.717 423 HG22 THR 53 HG22 THR 53 -2.184 21.718 -1.242 424 HG23 THR 53 HG23 THR 53 -3.494 21.495 -2.391 425 H ASN 54 H ASN 54 -2.493 20.258 1.395 426 HA ASN 54 HA ASN 54 -0.136 21.939 1.532 427 HB2 ASN 54 HB2 ASN 54 -2.471 22.645 2.125 428 HB3 ASN 54 HB3 ASN 54 -2.394 21.606 3.554 429 HD21 ASN 54 HD21 ASN 54 -2.071 24.782 2.603 430 HD22 ASN 54 HD22 ASN 54 -1.051 25.320 3.913 431 H GLY 55 H GLY 55 -1.495 19.357 3.699 432 HA2 GLY 55 HA2 GLY 55 0.929 18.108 4.300 433 HA3 GLY 55 HA3 GLY 55 0.734 19.390 5.504 434 H GLY 56 H GLY 56 -0.696 16.601 4.055 435 HA2 GLY 56 HA2 GLY 56 -2.906 16.336 5.979 436 HA3 GLY 56 HA3 GLY 56 -2.716 15.457 4.447 437 H CYS 57 H CYS 57 -3.401 14.060 6.556 438 HA CYS 57 HA CYS 57 -1.738 13.042 8.449 439 HB2 CYS 57 HB2 CYS 57 -3.277 10.888 7.732 440 HB3 CYS 57 HB3 CYS 57 -3.805 12.191 8.730 441 HA PRO 58 HA PRO 58 1.439 10.759 6.416 442 HB2 PRO 58 HB2 PRO 58 1.882 8.622 8.100 443 HB3 PRO 58 HB3 PRO 58 2.349 10.307 8.478 444 HG2 PRO 58 HG2 PRO 58 -0.166 8.815 9.317 445 HG3 PRO 58 HG3 PRO 58 0.943 9.754 10.359 446 HD2 PRO 58 HD2 PRO 58 -1.325 10.871 9.419 447 HD3 PRO 58 HD3 PRO 58 0.185 11.828 9.450 448 H ILE 59 H ILE 59 -1.419 9.004 7.330 449 HA ILE 59 HA ILE 59 -1.225 6.588 6.083 450 HB ILE 59 HB ILE 59 -3.704 8.301 6.322 451 HG12 ILE 59 HG12 ILE 59 -2.262 6.545 8.337 452 HG13 ILE 59 HG13 ILE 59 -2.633 8.258 8.477 453 HG21 ILE 59 HG21 ILE 59 -3.985 6.174 4.919 454 HG22 ILE 59 HG22 ILE 59 -3.496 5.270 6.371 455 HG23 ILE 59 HG23 ILE 59 -4.981 6.224 6.370 456 HD11 ILE 59 HD11 ILE 59 -4.608 5.974 8.657 457 HD12 ILE 59 HD12 ILE 59 -4.072 7.060 9.945 458 HD13 ILE 59 HD13 ILE 59 -5.061 7.700 8.620 459 H CYS 60 H CYS 60 -2.075 9.726 4.486 460 HA CYS 60 HA CYS 60 -2.977 8.637 2.053 461 HB2 CYS 60 HB2 CYS 60 -1.333 11.167 2.218 462 HB3 CYS 60 HB3 CYS 60 -2.696 10.804 1.177 463 H LYS 61 H LYS 61 0.288 9.678 3.038 464 HA LYS 61 HA LYS 61 1.608 8.974 0.562 465 HB2 LYS 61 HB2 LYS 61 2.948 9.237 3.271 466 HB3 LYS 61 HB3 LYS 61 3.666 9.479 1.684 467 HG2 LYS 61 HG2 LYS 61 1.564 11.282 2.938 468 HG3 LYS 61 HG3 LYS 61 3.300 11.550 2.982 469 HD2 LYS 61 HD2 LYS 61 3.467 12.014 0.676 470 HD3 LYS 61 HD3 LYS 61 1.853 11.342 0.316 471 HE2 LYS 61 HE2 LYS 61 0.745 13.053 1.557 472 HE3 LYS 61 HE3 LYS 61 2.250 13.651 2.244 473 HZ1 LYS 61 HZ1 LYS 61 2.856 14.633 0.218 474 HZ2 LYS 61 HZ2 LYS 61 1.282 14.994 0.354 475 HZ3 LYS 61 HZ3 LYS 61 1.797 13.802 -0.679 476 H GLN 62 H GLN 62 1.281 7.408 3.731 477 HA GLN 62 HA GLN 62 2.849 5.083 3.259 478 HB2 GLN 62 HB2 GLN 62 0.458 5.658 5.020 479 HB3 GLN 62 HB3 GLN 62 1.128 4.029 4.954 480 HG2 GLN 62 HG2 GLN 62 3.222 4.680 5.820 481 HG3 GLN 62 HG3 GLN 62 2.919 6.395 5.514 482 HE21 GLN 62 HE21 GLN 62 3.695 5.009 8.087 483 HE22 GLN 62 HE22 GLN 62 2.519 5.683 9.173 484 H LEU 63 H LEU 63 -0.658 5.590 2.629 485 HA LEU 63 HA LEU 63 -1.159 3.025 1.588 486 HB2 LEU 63 HB2 LEU 63 -2.984 4.624 2.082 487 HB3 LEU 63 HB3 LEU 63 -2.448 5.664 0.756 488 HG LEU 63 HG LEU 63 -2.970 3.851 -0.891 489 HD11 LEU 63 HD11 LEU 63 -3.986 2.383 1.587 490 HD12 LEU 63 HD12 LEU 63 -2.672 1.866 0.509 491 HD13 LEU 63 HD13 LEU 63 -4.328 1.904 -0.100 492 HD21 LEU 63 HD21 LEU 63 -5.308 4.370 0.964 493 HD22 LEU 63 HD22 LEU 63 -5.388 3.901 -0.747 494 HD23 LEU 63 HD23 LEU 63 -4.735 5.480 -0.302 495 H ILE 64 H ILE 64 -0.006 5.943 -0.046 496 HA ILE 64 HA ILE 64 0.009 4.903 -2.686 497 HB ILE 64 HB ILE 64 1.284 7.250 -1.278 498 HG12 ILE 64 HG12 ILE 64 -0.675 7.132 -3.604 499 HG13 ILE 64 HG13 ILE 64 -1.169 7.039 -1.913 500 HG21 ILE 64 HG21 ILE 64 2.982 6.753 -2.860 501 HG22 ILE 64 HG22 ILE 64 1.818 6.396 -4.117 502 HG23 ILE 64 HG23 ILE 64 2.024 8.069 -3.554 503 HD11 ILE 64 HD11 ILE 64 -0.088 9.229 -1.443 504 HD12 ILE 64 HD12 ILE 64 0.181 9.415 -3.194 505 HD13 ILE 64 HD13 ILE 64 -1.472 9.276 -2.544 506 H ALA 65 H ALA 65 2.412 4.660 -0.049 507 HA ALA 65 HA ALA 65 4.583 3.782 -1.653 508 HB1 ALA 65 HB1 ALA 65 4.738 4.475 0.766 509 HB2 ALA 65 HB2 ALA 65 3.961 2.937 1.215 510 HB3 ALA 65 HB3 ALA 65 5.531 2.923 0.409 511 H LEU 66 H LEU 66 1.997 1.886 0.033 512 HA LEU 66 HA LEU 66 3.026 -0.582 -1.050 513 HB2 LEU 66 HB2 LEU 66 1.661 -0.255 1.128 514 HB3 LEU 66 HB3 LEU 66 0.248 -0.153 0.075 515 HG LEU 66 HG LEU 66 0.980 -2.417 -0.909 516 HD11 LEU 66 HD11 LEU 66 2.861 -2.313 1.498 517 HD12 LEU 66 HD12 LEU 66 3.323 -2.548 -0.208 518 HD13 LEU 66 HD13 LEU 66 2.441 -3.805 0.663 519 HD21 LEU 66 HD21 LEU 66 -0.861 -2.204 0.667 520 HD22 LEU 66 HD22 LEU 66 0.269 -2.298 2.027 521 HD23 LEU 66 HD23 LEU 66 0.049 -3.691 0.953 522 H ALA 67 H ALA 67 0.331 1.610 -1.945 523 HA ALA 67 HA ALA 67 -0.780 -0.004 -3.958 524 HB1 ALA 67 HB1 ALA 67 -1.993 1.910 -3.176 525 HB2 ALA 67 HB2 ALA 67 -0.684 3.010 -3.646 526 HB3 ALA 67 HB3 ALA 67 -1.652 2.198 -4.892 527 H ALA 68 H ALA 68 2.193 1.917 -4.028 528 HA ALA 68 HA ALA 68 2.507 2.118 -6.834 529 HB1 ALA 68 HB1 ALA 68 3.909 3.359 -5.231 530 HB2 ALA 68 HB2 ALA 68 4.637 1.837 -4.666 531 HB3 ALA 68 HB3 ALA 68 4.914 2.383 -6.324 532 H TYR 69 H TYR 69 3.118 -0.614 -4.601 533 HA TYR 69 HA TYR 69 4.609 -2.136 -6.557 534 HB2 TYR 69 HB2 TYR 69 3.347 -2.827 -3.909 535 HB3 TYR 69 HB3 TYR 69 3.888 -4.072 -5.028 536 HD1 TYR 69 HD1 TYR 69 5.801 -0.854 -4.723 537 HD2 TYR 69 HD2 TYR 69 5.539 -5.003 -3.473 538 HE1 TYR 69 HE1 TYR 69 8.116 -0.794 -4.032 539 HE2 TYR 69 HE2 TYR 69 7.860 -4.910 -2.744 540 HH TYR 69 HH TYR 69 9.845 -1.935 -3.036 541 H HIS 70 H HIS 70 1.126 -1.692 -5.853 542 HA HIS 70 HA HIS 70 0.322 -3.921 -7.547 543 HB2 HIS 70 HB2 HIS 70 -1.275 -3.300 -5.929 544 HB3 HIS 70 HB3 HIS 70 -1.091 -1.583 -6.247 545 HD1 HIS 70 HD1 HIS 70 -2.694 -4.683 -7.904 546 HD2 HIS 70 HD2 HIS 70 -2.471 -0.487 -8.207 547 HE1 HIS 70 HE1 HIS 70 -4.417 -3.982 -9.654 548 H ALA 71 H ALA 71 0.651 -0.349 -7.935 549 HA ALA 71 HA ALA 71 -0.322 -0.084 -10.507 550 HB1 ALA 71 HB1 ALA 71 0.325 1.777 -8.995 551 HB2 ALA 71 HB2 ALA 71 2.042 1.433 -9.332 552 HB3 ALA 71 HB3 ALA 71 0.962 1.974 -10.632 553 H LYS 72 H LYS 72 2.938 -1.219 -9.619 554 HA LYS 72 HA LYS 72 3.835 -1.269 -12.396 555 HB2 LYS 72 HB2 LYS 72 5.882 -2.257 -11.517 556 HB3 LYS 72 HB3 LYS 72 5.446 -0.827 -10.603 557 HG2 LYS 72 HG2 LYS 72 4.877 -2.067 -8.699 558 HG3 LYS 72 HG3 LYS 72 4.594 -3.557 -9.600 559 HD2 LYS 72 HD2 LYS 72 6.945 -3.865 -10.017 560 HD3 LYS 72 HD3 LYS 72 7.335 -2.320 -9.225 561 HE2 LYS 72 HE2 LYS 72 6.525 -3.169 -7.077 562 HE3 LYS 72 HE3 LYS 72 5.944 -4.647 -7.867 563 HZ1 LYS 72 HZ1 LYS 72 8.318 -5.023 -8.523 564 HZ2 LYS 72 HZ2 LYS 72 8.000 -5.228 -6.962 565 HZ3 LYS 72 HZ3 LYS 72 8.757 -3.839 -7.453 566 H HIS 73 H HIS 73 1.798 -3.405 -10.705 567 HA HIS 73 HA HIS 73 2.634 -5.743 -12.369 568 HB2 HIS 73 HB2 HIS 73 1.165 -5.634 -9.704 569 HB3 HIS 73 HB3 HIS 73 1.478 -7.096 -10.630 570 HD1 HIS 73 HD1 HIS 73 2.515 -6.894 -7.717 571 HD2 HIS 73 HD2 HIS 73 4.705 -5.921 -11.192 572 HE1 HIS 73 HE1 HIS 73 4.990 -7.108 -7.111 573 H CYS 74 H CYS 74 0.256 -3.342 -12.015 574 HA CYS 74 HA CYS 74 -2.032 -4.945 -12.601 575 HB2 CYS 74 HB2 CYS 74 -1.717 -2.441 -11.624 576 HB3 CYS 74 HB3 CYS 74 -2.055 -2.041 -13.338 577 H GLN 75 H GLN 75 -2.395 -5.924 -14.507 578 HA GLN 75 HA GLN 75 -0.750 -5.435 -16.882 579 HB2 GLN 75 HB2 GLN 75 -3.232 -7.125 -16.386 580 HB3 GLN 75 HB3 GLN 75 -2.327 -7.111 -17.906 581 HG2 GLN 75 HG2 GLN 75 -0.342 -8.002 -16.715 582 HG3 GLN 75 HG3 GLN 75 -1.296 -8.060 -15.212 583 HE21 GLN 75 HE21 GLN 75 -0.714 -9.687 -18.347 584 HE22 GLN 75 HE22 GLN 75 -1.955 -10.875 -18.136 585 H GLU 76 H GLU 76 -4.008 -4.788 -15.727 586 HA GLU 76 HA GLU 76 -5.098 -3.789 -18.193 587 HB2 GLU 76 HB2 GLU 76 -6.051 -3.220 -15.373 588 HB3 GLU 76 HB3 GLU 76 -6.982 -3.209 -16.890 589 HG2 GLU 76 HG2 GLU 76 -7.325 -5.454 -16.923 590 HG3 GLU 76 HG3 GLU 76 -5.816 -5.846 -16.103 591 H ASN 77 H ASN 77 -6.011 -1.294 -18.179 592 HA ASN 77 HA ASN 77 -3.772 0.430 -17.171 593 HB2 ASN 77 HB2 ASN 77 -5.271 0.692 -19.788 594 HB3 ASN 77 HB3 ASN 77 -4.238 1.907 -19.107 595 HD21 ASN 77 HD21 ASN 77 -2.230 1.955 -20.019 596 HD22 ASN 77 HD22 ASN 77 -1.639 0.625 -20.969 597 H LYS 78 H LYS 78 -7.303 0.104 -17.129 598 HA LYS 78 HA LYS 78 -7.423 2.831 -15.889 599 HB2 LYS 78 HB2 LYS 78 -9.545 1.386 -17.526 600 HB3 LYS 78 HB3 LYS 78 -9.799 2.883 -16.645 601 HG2 LYS 78 HG2 LYS 78 -8.062 2.446 -19.078 602 HG3 LYS 78 HG3 LYS 78 -9.509 3.437 -18.942 603 HD2 LYS 78 HD2 LYS 78 -6.745 3.996 -17.838 604 HD3 LYS 78 HD3 LYS 78 -7.618 4.908 -19.051 605 HE2 LYS 78 HE2 LYS 78 -9.026 5.943 -17.498 606 HE3 LYS 78 HE3 LYS 78 -8.793 4.694 -16.271 607 HZ1 LYS 78 HZ1 LYS 78 -7.599 6.774 -15.769 608 HZ2 LYS 78 HZ2 LYS 78 -6.656 6.571 -17.085 609 HZ3 LYS 78 HZ3 LYS 78 -6.578 5.490 -15.876 610 H CYS 79 H CYS 79 -6.558 0.986 -14.269 611 HA CYS 79 HA CYS 79 -8.124 -0.780 -12.980 612 HB2 CYS 79 HB2 CYS 79 -6.350 1.162 -11.472 613 HB3 CYS 79 HB3 CYS 79 -6.634 -0.560 -11.146 614 HA PRO 80 HA PRO 80 -11.327 1.629 -11.073 615 HB2 PRO 80 HB2 PRO 80 -12.155 -0.021 -9.012 616 HB3 PRO 80 HB3 PRO 80 -12.527 -0.338 -10.734 617 HG2 PRO 80 HG2 PRO 80 -10.251 -1.485 -9.097 618 HG3 PRO 80 HG3 PRO 80 -11.421 -2.350 -10.148 619 HD2 PRO 80 HD2 PRO 80 -8.968 -1.682 -11.085 620 HD3 PRO 80 HD3 PRO 80 -10.409 -1.494 -12.119 621 H VAL 81 H VAL 81 -8.584 0.430 -9.176 622 HA VAL 81 HA VAL 81 -9.143 2.023 -6.870 623 HB VAL 81 HB VAL 81 -6.448 0.893 -7.735 624 HG11 VAL 81 HG11 VAL 81 -6.223 2.553 -5.967 625 HG12 VAL 81 HG12 VAL 81 -7.599 1.869 -5.090 626 HG13 VAL 81 HG13 VAL 81 -6.086 0.951 -5.217 627 HG21 VAL 81 HG21 VAL 81 -7.936 -0.977 -7.655 628 HG22 VAL 81 HG22 VAL 81 -7.119 -0.967 -6.096 629 HG23 VAL 81 HG23 VAL 81 -8.786 -0.358 -6.236 630 HA PRO 82 HA PRO 82 -7.991 5.754 -9.107 631 HB2 PRO 82 HB2 PRO 82 -8.321 7.600 -7.053 632 HB3 PRO 82 HB3 PRO 82 -9.628 6.948 -8.091 633 HG2 PRO 82 HG2 PRO 82 -8.873 6.196 -5.288 634 HG3 PRO 82 HG3 PRO 82 -10.486 6.252 -6.056 635 HD2 PRO 82 HD2 PRO 82 -8.953 3.950 -5.628 636 HD3 PRO 82 HD3 PRO 82 -10.254 4.047 -6.823 637 H PHE 83 H PHE 83 -6.510 4.762 -6.050 638 HA PHE 83 HA PHE 83 -4.325 6.662 -6.277 639 HB2 PHE 83 HB2 PHE 83 -4.941 4.350 -4.464 640 HB3 PHE 83 HB3 PHE 83 -3.285 4.914 -4.602 641 HD1 PHE 83 HD1 PHE 83 -6.362 7.181 -4.717 642 HD2 PHE 83 HD2 PHE 83 -2.925 5.808 -2.482 643 HE1 PHE 83 HE1 PHE 83 -6.687 9.002 -3.067 644 HE2 PHE 83 HE2 PHE 83 -3.263 7.665 -0.856 645 HZ PHE 83 HZ PHE 83 -5.171 9.211 -1.126 646 H CYS 84 H CYS 84 -4.880 3.396 -7.573 647 HA CYS 84 HA CYS 84 -2.228 2.679 -8.271 648 HB2 CYS 84 HB2 CYS 84 -4.287 1.150 -8.531 649 HB3 CYS 84 HB3 CYS 84 -4.859 2.200 -9.817 650 H LEU 85 H LEU 85 -4.749 4.217 -10.244 651 HA LEU 85 HA LEU 85 -2.987 5.033 -12.301 652 HB2 LEU 85 HB2 LEU 85 -4.847 6.300 -13.217 653 HB3 LEU 85 HB3 LEU 85 -5.258 4.664 -12.731 654 HG LEU 85 HG LEU 85 -6.218 5.750 -10.575 655 HD11 LEU 85 HD11 LEU 85 -7.217 7.967 -10.928 656 HD12 LEU 85 HD12 LEU 85 -6.442 8.090 -12.527 657 HD13 LEU 85 HD13 LEU 85 -5.456 8.096 -11.053 658 HD21 LEU 85 HD21 LEU 85 -7.499 4.528 -12.232 659 HD22 LEU 85 HD22 LEU 85 -7.563 5.957 -13.279 660 HD23 LEU 85 HD23 LEU 85 -8.399 5.953 -11.706 661 H ASN 86 H ASN 86 -4.035 6.804 -9.345 662 HA ASN 86 HA ASN 86 -2.980 9.289 -10.204 663 HB2 ASN 86 HB2 ASN 86 -4.432 8.919 -8.179 664 HB3 ASN 86 HB3 ASN 86 -3.006 8.286 -7.343 665 HD21 ASN 86 HD21 ASN 86 -4.737 11.163 -8.265 666 HD22 ASN 86 HD22 ASN 86 -3.543 12.321 -7.760 667 H ILE 87 H ILE 87 -1.347 6.563 -8.547 668 HA ILE 87 HA ILE 87 1.217 7.777 -8.263 669 HB ILE 87 HB ILE 87 0.276 4.890 -8.499 670 HG12 ILE 87 HG12 ILE 87 1.319 6.475 -6.131 671 HG13 ILE 87 HG13 ILE 87 -0.382 6.435 -6.527 672 HG21 ILE 87 HG21 ILE 87 3.059 5.881 -7.734 673 HG22 ILE 87 HG22 ILE 87 2.486 4.215 -7.599 674 HG23 ILE 87 HG23 ILE 87 2.655 4.934 -9.186 675 HD11 ILE 87 HD11 ILE 87 -0.114 4.817 -4.869 676 HD12 ILE 87 HD12 ILE 87 -0.361 3.930 -6.381 677 HD13 ILE 87 HD13 ILE 87 1.273 4.065 -5.676 678 H LYS 88 H LYS 88 -0.078 5.547 -10.832 679 HA LYS 88 HA LYS 88 2.242 5.757 -12.417 680 HB2 LYS 88 HB2 LYS 88 0.048 4.137 -12.394 681 HB3 LYS 88 HB3 LYS 88 -0.449 5.246 -13.669 682 HG2 LYS 88 HG2 LYS 88 0.688 3.416 -14.708 683 HG3 LYS 88 HG3 LYS 88 1.799 4.785 -14.797 684 HD2 LYS 88 HD2 LYS 88 3.047 3.837 -12.833 685 HD3 LYS 88 HD3 LYS 88 1.836 2.562 -12.704 686 HE2 LYS 88 HE2 LYS 88 3.766 1.683 -13.882 687 HE3 LYS 88 HE3 LYS 88 2.396 1.766 -14.989 688 HZ1 LYS 88 HZ1 LYS 88 3.349 3.776 -15.940 689 HZ2 LYS 88 HZ2 LYS 88 4.413 2.568 -16.000 690 HZ3 LYS 88 HZ3 LYS 88 4.591 3.762 -14.864 691 H GLN 89 H GLN 89 -0.393 8.094 -12.093 692 HA GLN 89 HA GLN 89 0.230 9.314 -14.700 693 HB2 GLN 89 HB2 GLN 89 -1.649 9.988 -12.406 694 HB3 GLN 89 HB3 GLN 89 -1.454 11.020 -13.816 695 HG2 GLN 89 HG2 GLN 89 -2.198 8.102 -14.175 696 HG3 GLN 89 HG3 GLN 89 -3.403 9.313 -13.754 697 HE21 GLN 89 HE21 GLN 89 -4.267 10.563 -15.457 698 HE22 GLN 89 HE22 GLN 89 -3.663 10.469 -17.102 699 H LYS 90 H LYS 90 1.575 9.397 -11.576 700 HA LYS 90 HA LYS 90 2.725 12.126 -12.044 701 HB2 LYS 90 HB2 LYS 90 2.954 12.382 -9.729 702 HB3 LYS 90 HB3 LYS 90 1.327 11.789 -9.980 703 HG2 LYS 90 HG2 LYS 90 1.951 9.597 -9.175 704 HG3 LYS 90 HG3 LYS 90 3.671 9.980 -9.183 705 HD2 LYS 90 HD2 LYS 90 3.019 10.057 -6.936 706 HD3 LYS 90 HD3 LYS 90 3.188 11.747 -7.445 707 HE2 LYS 90 HE2 LYS 90 0.665 11.660 -7.977 708 HE3 LYS 90 HE3 LYS 90 0.622 10.107 -7.169 709 HZ1 LYS 90 HZ1 LYS 90 1.578 11.290 -5.179 710 HZ2 LYS 90 HZ2 LYS 90 0.103 11.931 -5.627 711 HZ3 LYS 90 HZ3 LYS 90 1.493 12.702 -6.011 712 H GLY 91 H GLY 91 3.629 9.087 -12.787 713 HA2 GLY 91 HA2 GLY 91 5.700 8.194 -13.226 714 HA3 GLY 91 HA3 GLY 91 6.428 9.713 -12.691 715 H GLY 92 H GLY 92 4.308 8.070 -10.393 716 HA2 GLY 92 HA2 GLY 92 4.793 7.159 -8.327 717 HA3 GLY 92 HA3 GLY 92 6.087 6.315 -9.179 718 H SER 93 H SER 93 5.837 9.849 -8.612 719 HA SER 93 HA SER 93 7.146 11.342 -7.595 720 HB2 SER 93 HB2 SER 93 6.291 9.902 -5.686 721 HB3 SER 93 HB3 SER 93 7.891 9.168 -5.618 722 HG SER 93 HG SER 93 8.745 11.168 -5.056 723 H GLY 94 H GLY 94 8.516 9.129 -9.515 724 HA2 GLY 94 HA2 GLY 94 10.618 10.046 -10.552 725 HA3 GLY 94 HA3 GLY 94 11.334 9.912 -8.945 726 H GLY 95 H GLY 95 9.529 7.385 -8.578 727 HA2 GLY 95 HA2 GLY 95 9.638 5.118 -8.906 728 HA3 GLY 95 HA3 GLY 95 10.467 5.413 -10.422 729 H GLY 96 H GLY 96 12.740 6.868 -9.081 730 HA2 GLY 96 HA2 GLY 96 14.720 6.452 -7.964 731 HA3 GLY 96 HA3 GLY 96 14.007 5.019 -7.218 732 H THR 97 H THR 97 13.739 5.058 -10.722 733 HA THR 97 HA THR 97 15.503 2.753 -10.845 734 HB THR 97 HB THR 97 14.944 2.709 -13.221 735 HG1 THR 97 HG1 THR 97 13.083 4.799 -12.929 736 HG21 THR 97 HG21 THR 97 12.580 2.209 -13.003 737 HG22 THR 97 HG22 THR 97 12.476 3.134 -11.489 738 HG23 THR 97 HG23 THR 97 13.446 1.651 -11.568 739 H GLY 98 H GLY 98 17.221 2.699 -12.700 740 HA2 GLY 98 HA2 GLY 98 18.644 4.662 -13.817 741 HA3 GLY 98 HA3 GLY 98 19.155 4.822 -12.126 742 H GLY 99 H GLY 99 18.553 1.678 -12.080 743 HA2 GLY 99 HA2 GLY 99 20.165 0.183 -13.709 744 HA3 GLY 99 HA3 GLY 99 21.295 0.873 -12.548 745 H GLY 100 H GLY 100 19.707 1.013 -10.242 746 HA2 GLY 100 HA2 GLY 100 18.606 -0.209 -8.621 747 HA3 GLY 100 HA3 GLY 100 18.486 -1.607 -9.687 748 H SER 101 H SER 101 21.676 -0.614 -9.905 749 HA SER 101 HA SER 101 22.555 -2.652 -7.944 750 HB2 SER 101 HB2 SER 101 23.142 -2.861 -10.368 751 HB3 SER 101 HB3 SER 101 24.026 -1.335 -10.262 752 HG SER 101 HG SER 101 25.623 -2.471 -9.596 753 H GLY 102 H GLY 102 24.065 -2.071 -6.345 754 HA2 GLY 102 HA2 GLY 102 25.542 0.264 -6.039 755 HA3 GLY 102 HA3 GLY 102 23.950 0.649 -5.369 756 H THR 103 H THR 103 23.667 -2.334 -4.548 757 HA THR 103 HA THR 103 25.555 -2.362 -2.255 758 HB THR 103 HB THR 103 23.200 -1.664 -1.684 759 HG1 THR 103 HG1 THR 103 24.138 -2.559 0.012 760 HG21 THR 103 HG21 THR 103 21.367 -3.213 -1.821 761 HG22 THR 103 HG22 THR 103 22.423 -4.552 -2.300 762 HG23 THR 103 HG23 THR 103 22.102 -3.229 -3.417 763 H ILE 104 H ILE 104 26.047 -4.486 -1.483 764 HA ILE 104 HA ILE 104 26.331 -6.460 -3.630 765 HB ILE 104 HB ILE 104 28.225 -5.818 -2.239 766 HG12 ILE 104 HG12 ILE 104 29.086 -7.953 -1.470 767 HG13 ILE 104 HG13 ILE 104 27.492 -8.684 -1.517 768 HG21 ILE 104 HG21 ILE 104 28.393 -6.351 0.162 769 HG22 ILE 104 HG22 ILE 104 27.078 -5.210 -0.118 770 HG23 ILE 104 HG23 ILE 104 26.714 -6.921 0.172 771 HD11 ILE 104 HD11 ILE 104 28.907 -9.285 -3.470 772 HD12 ILE 104 HD12 ILE 104 27.437 -8.442 -3.977 773 HD13 ILE 104 HD13 ILE 104 28.991 -7.576 -3.936 774 H GLU 105 H GLU 105 24.140 -5.743 -1.160 775 HA GLU 105 HA GLU 105 23.255 -8.418 -0.434 776 HB2 GLU 105 HB2 GLU 105 22.174 -5.629 0.131 777 HB3 GLU 105 HB3 GLU 105 21.671 -7.120 0.959 778 HG2 GLU 105 HG2 GLU 105 23.940 -7.413 1.839 779 HG3 GLU 105 HG3 GLU 105 24.495 -5.964 1.014 780 H GLY 106 H GLY 106 20.658 -8.483 -0.330 781 HA2 GLY 106 HA2 GLY 106 18.613 -8.365 -1.417 782 HA3 GLY 106 HA3 GLY 106 19.350 -7.559 -2.786 783 H ARG 107 H ARG 107 19.902 -10.788 -1.206 784 HA ARG 107 HA ARG 107 19.160 -12.150 -3.738 785 HB2 ARG 107 HB2 ARG 107 21.777 -12.513 -2.224 786 HB3 ARG 107 HB3 ARG 107 21.046 -13.816 -3.170 787 HG2 ARG 107 HG2 ARG 107 21.033 -12.446 -5.187 788 HG3 ARG 107 HG3 ARG 107 21.746 -11.083 -4.302 789 HD2 ARG 107 HD2 ARG 107 23.762 -12.528 -3.824 790 HD3 ARG 107 HD3 ARG 107 23.026 -13.810 -4.790 791 HE ARG 107 HE ARG 107 23.553 -12.692 -6.740 792 HH11 ARG 107 HH11 ARG 107 23.991 -10.351 -4.077 793 HH12 ARG 107 HH12 ARG 107 24.909 -9.262 -5.094 794 HH21 ARG 107 HH21 ARG 107 24.598 -11.166 -8.003 795 HH22 ARG 107 HH22 ARG 107 25.216 -9.687 -7.298 796 H GLY 108 H GLY 108 17.213 -12.681 -2.806 797 HA2 GLY 108 HA2 GLY 108 16.014 -14.418 -1.718 798 HA3 GLY 108 HA3 GLY 108 17.316 -14.577 -0.527 799 H ASP 109 H ASP 109 17.764 -12.089 0.313 800 HA ASP 109 HA ASP 109 15.871 -11.381 2.173 801 HB2 ASP 109 HB2 ASP 109 17.834 -9.451 0.868 802 HB3 ASP 109 HB3 ASP 109 17.076 -9.249 2.444 803 H GLY 110 H GLY 110 15.668 -10.666 -1.185 804 HA2 GLY 110 HA2 GLY 110 13.916 -9.693 -2.358 805 HA3 GLY 110 HA3 GLY 110 13.205 -9.140 -0.832 806 H GLY 111 H GLY 111 15.069 -7.553 0.303 807 HA2 GLY 111 HA2 GLY 111 16.320 -5.575 0.081 808 HA3 GLY 111 HA3 GLY 111 16.281 -5.728 -1.680 809 H THR 112 H THR 112 13.427 -5.821 0.518 810 HA THR 112 HA THR 112 12.029 -3.756 -0.985 811 HB THR 112 HB THR 112 10.356 -4.480 0.977 812 HG1 THR 112 HG1 THR 112 11.656 -5.743 2.194 813 HG21 THR 112 HG21 THR 112 11.201 -6.248 -1.332 814 HG22 THR 112 HG22 THR 112 9.894 -5.036 -1.311 815 HG23 THR 112 HG23 THR 112 9.751 -6.547 -0.380 816 H THR 113 H THR 113 14.167 -2.464 -0.238 817 HA THR 113 HA THR 113 14.630 -1.479 2.215 818 HB THR 113 HB THR 113 14.617 0.330 -0.213 819 HG1 THR 113 HG1 THR 113 16.283 -1.888 0.369 820 HG21 THR 113 HG21 THR 113 16.799 1.070 0.680 821 HG22 THR 113 HG22 THR 113 16.571 -0.005 2.093 822 HG23 THR 113 HG23 THR 113 15.465 1.364 1.808 823 H PHE 114 H PHE 114 11.940 -0.373 0.162 824 HA PHE 114 HA PHE 114 11.164 1.864 1.547 825 HB2 PHE 114 HB2 PHE 114 9.220 1.900 0.414 826 HB3 PHE 114 HB3 PHE 114 10.304 1.040 -0.652 827 HD1 PHE 114 HD1 PHE 114 7.133 1.278 -0.359 828 HD2 PHE 114 HD2 PHE 114 10.034 -1.816 0.427 829 HE1 PHE 114 HE1 PHE 114 5.420 -0.446 -0.800 830 HE2 PHE 114 HE2 PHE 114 8.318 -3.518 0.016 831 HZ PHE 114 HZ PHE 114 6.002 -2.856 -0.619 832 H GLU 115 H GLU 115 10.899 -1.401 2.800 833 HA GLU 115 HA GLU 115 8.763 -1.227 4.586 834 HB2 GLU 115 HB2 GLU 115 11.539 -2.457 4.825 835 HB3 GLU 115 HB3 GLU 115 10.294 -2.685 6.061 836 HG2 GLU 115 HG2 GLU 115 8.868 -3.912 4.610 837 HG3 GLU 115 HG3 GLU 115 9.776 -3.450 3.165 838 H HIS 116 H HIS 116 11.879 0.486 4.696 839 HA HIS 116 HA HIS 116 11.944 1.085 7.465 840 HB2 HIS 116 HB2 HIS 116 13.566 2.651 7.022 841 HB3 HIS 116 HB3 HIS 116 13.728 1.596 5.630 842 HD1 HIS 116 HD1 HIS 116 12.630 5.148 6.610 843 HD2 HIS 116 HD2 HIS 116 12.902 2.677 3.204 844 HE1 HIS 116 HE1 HIS 116 12.265 6.632 4.576 845 H LEU 117 H LEU 117 9.782 2.340 4.984 846 HA LEU 117 HA LEU 117 9.105 4.831 6.230 847 HB2 LEU 117 HB2 LEU 117 7.796 2.998 4.210 848 HB3 LEU 117 HB3 LEU 117 6.849 4.282 4.980 849 HG LEU 117 HG LEU 117 8.764 5.877 4.229 850 HD11 LEU 117 HD11 LEU 117 10.238 3.947 3.445 851 HD12 LEU 117 HD12 LEU 117 10.017 5.254 2.285 852 HD13 LEU 117 HD13 LEU 117 9.122 3.713 2.110 853 HD21 LEU 117 HD21 LEU 117 6.448 5.837 3.336 854 HD22 LEU 117 HD22 LEU 117 6.925 4.623 2.146 855 HD23 LEU 117 HD23 LEU 117 7.658 6.256 2.096 856 H TRP 118 H TRP 118 8.105 1.465 6.893 857 HA TRP 118 HA TRP 118 5.818 2.187 8.439 858 HB2 TRP 118 HB2 TRP 118 7.485 -0.330 8.655 859 HB3 TRP 118 HB3 TRP 118 5.811 -0.115 9.147 860 HD1 TRP 118 HD1 TRP 118 7.621 -1.687 6.627 861 HE1 TRP 118 HE1 TRP 118 6.313 -2.052 4.415 862 HE3 TRP 118 HE3 TRP 118 3.827 1.650 7.379 863 HZ2 TRP 118 HZ2 TRP 118 4.013 -0.895 3.106 864 HZ3 TRP 118 HZ3 TRP 118 2.067 1.969 5.663 865 HH2 TRP 118 HH2 TRP 118 2.153 0.728 3.522 866 H SER 119 H SER 119 9.157 2.511 9.184 867 HA SER 119 HA SER 119 9.104 2.161 12.000 868 HB2 SER 119 HB2 SER 119 11.085 3.615 12.052 869 HB3 SER 119 HB3 SER 119 11.192 2.412 10.760 870 HG SER 119 HG SER 119 10.785 3.932 9.260 871 H SER 120 H SER 120 7.236 4.336 10.308 872 HA SER 120 HA SER 120 7.015 6.245 12.589 873 HB2 SER 120 HB2 SER 120 6.526 6.857 9.659 874 HB3 SER 120 HB3 SER 120 6.550 8.009 11.014 875 HG SER 120 HG SER 120 8.691 6.377 10.108 876 H LEU 121 H LEU 121 5.551 3.631 11.285 877 HA LEU 121 HA LEU 121 2.782 4.598 11.069 878 HB2 LEU 121 HB2 LEU 121 3.549 2.880 9.549 879 HB3 LEU 121 HB3 LEU 121 4.123 1.864 10.866 880 HG LEU 121 HG LEU 121 1.225 2.594 10.951 881 HD11 LEU 121 HD11 LEU 121 0.670 0.748 9.422 882 HD12 LEU 121 HD12 LEU 121 2.358 0.629 8.925 883 HD13 LEU 121 HD13 LEU 121 1.429 2.116 8.580 884 HD21 LEU 121 HD21 LEU 121 2.612 -0.128 11.206 885 HD22 LEU 121 HD22 LEU 121 1.018 0.335 11.821 886 HD23 LEU 121 HD23 LEU 121 2.481 0.980 12.572 887 H GLU 122 H GLU 122 1.349 4.493 12.761 888 HA GLU 122 HA GLU 122 2.291 4.381 15.360 889 HB2 GLU 122 HB2 GLU 122 -0.052 4.449 16.068 890 HB3 GLU 122 HB3 GLU 122 0.299 5.556 14.739 891 HG2 GLU 122 HG2 GLU 122 -0.736 3.935 13.132 892 HG3 GLU 122 HG3 GLU 122 -1.148 2.880 14.491 893 HA PRO 123 HA PRO 123 2.484 0.060 16.288 894 HB2 PRO 123 HB2 PRO 123 2.233 0.072 19.050 895 HB3 PRO 123 HB3 PRO 123 3.711 0.523 18.145 896 HG2 PRO 123 HG2 PRO 123 1.571 2.361 19.240 897 HG3 PRO 123 HG3 PRO 123 3.354 2.511 19.403 898 HD2 PRO 123 HD2 PRO 123 2.003 3.900 17.521 899 HD3 PRO 123 HD3 PRO 123 3.582 3.157 17.121 900 H ASP 124 H ASP 124 -0.289 1.976 16.932 901 HA ASP 124 HA ASP 124 -2.106 0.011 17.964 902 HB2 ASP 124 HB2 ASP 124 -2.587 2.518 16.285 903 HB3 ASP 124 HB3 ASP 124 -3.862 1.560 17.032 904 H SER 125 H SER 125 -0.912 0.797 14.717 905 HA SER 125 HA SER 125 -1.349 0.014 12.647 906 HB2 SER 125 HB2 SER 125 -1.168 -2.425 12.457 907 HB3 SER 125 HB3 SER 125 -0.053 -1.753 13.643 908 HG SER 125 HG SER 125 -2.090 -2.257 15.067 909 H THR 126 H THR 126 -3.652 1.235 13.745 910 HA THR 126 HA THR 126 -5.886 -0.528 13.414 911 HB THR 126 HB THR 126 -5.498 1.796 14.731 912 HG1 THR 126 HG1 THR 126 -7.510 1.521 15.354 913 HG21 THR 126 HG21 THR 126 -7.021 3.482 13.889 914 HG22 THR 126 HG22 THR 126 -7.316 2.568 12.411 915 HG23 THR 126 HG23 THR 126 -5.697 3.226 12.739 916 H TYR 127 H TYR 127 -4.005 1.251 11.048 917 HA TYR 127 HA TYR 127 -6.203 0.834 9.046 918 HB2 TYR 127 HB2 TYR 127 -4.622 2.184 7.568 919 HB3 TYR 127 HB3 TYR 127 -5.551 3.035 8.803 920 HD1 TYR 127 HD1 TYR 127 -2.483 2.707 7.156 921 HD2 TYR 127 HD2 TYR 127 -4.147 3.566 11.045 922 HE1 TYR 127 HE1 TYR 127 -0.461 3.974 7.734 923 HE2 TYR 127 HE2 TYR 127 -2.150 4.872 11.606 924 HH TYR 127 HH TYR 127 0.328 5.639 9.186 925 H PHE 128 H PHE 128 -2.636 0.692 9.002 926 HA PHE 128 HA PHE 128 -2.729 -1.701 7.277 927 HB2 PHE 128 HB2 PHE 128 -0.824 0.516 7.943 928 HB3 PHE 128 HB3 PHE 128 -0.088 -1.018 7.543 929 HD1 PHE 128 HD1 PHE 128 -1.758 -2.029 5.276 930 HD2 PHE 128 HD2 PHE 128 -0.590 2.012 6.228 931 HE1 PHE 128 HE1 PHE 128 -1.836 -1.419 2.872 932 HE2 PHE 128 HE2 PHE 128 -0.508 2.543 3.819 933 HZ PHE 128 HZ PHE 128 -1.099 0.825 2.136 934 H ASP 129 H ASP 129 -0.566 -2.999 7.711 935 HA ASP 129 HA ASP 129 -0.975 -4.368 10.288 936 HB2 ASP 129 HB2 ASP 129 -0.709 -5.591 8.125 937 HB3 ASP 129 HB3 ASP 129 0.873 -4.847 7.916 938 H LEU 130 H LEU 130 0.779 -4.569 11.619 939 HA LEU 130 HA LEU 130 2.301 -2.125 12.175 940 HB2 LEU 130 HB2 LEU 130 3.249 -3.443 14.131 941 HB3 LEU 130 HB3 LEU 130 1.544 -3.080 14.146 942 HG LEU 130 HG LEU 130 0.955 -5.360 13.537 943 HD11 LEU 130 HD11 LEU 130 3.955 -5.878 13.481 944 HD12 LEU 130 HD12 LEU 130 2.792 -6.075 12.151 945 HD13 LEU 130 HD13 LEU 130 2.702 -7.149 13.532 946 HD21 LEU 130 HD21 LEU 130 1.683 -6.429 15.633 947 HD22 LEU 130 HD22 LEU 130 1.243 -4.724 15.894 948 HD23 LEU 130 HD23 LEU 130 2.959 -5.203 15.828 Start of MODEL 7 1 H1 ALA 1 H ALA 1 10.705 -22.446 -6.937 2 HA ALA 1 HA ALA 1 12.087 -24.549 -8.485 3 HB1 ALA 1 HB1 ALA 1 11.361 -21.736 -9.356 4 HB2 ALA 1 HB2 ALA 1 12.389 -22.862 -10.255 5 HB3 ALA 1 HB3 ALA 1 10.683 -23.266 -9.966 6 H THR 2 H THR 2 12.958 -21.042 -8.070 7 HA THR 2 HA THR 2 15.703 -21.798 -7.621 8 HB THR 2 HB THR 2 15.757 -19.231 -7.169 9 HG1 THR 2 HG1 THR 2 13.987 -18.121 -7.683 10 HG21 THR 2 HG21 THR 2 16.398 -20.221 -9.353 11 HG22 THR 2 HG22 THR 2 15.540 -18.689 -9.560 12 HG23 THR 2 HG23 THR 2 14.697 -20.226 -9.858 13 H GLN 3 H GLN 3 16.812 -20.764 -5.567 14 HA GLN 3 HA GLN 3 15.071 -21.269 -3.208 15 HB2 GLN 3 HB2 GLN 3 16.768 -23.140 -3.836 16 HB3 GLN 3 HB3 GLN 3 17.999 -22.007 -3.282 17 HG2 GLN 3 HG2 GLN 3 17.487 -23.464 -1.463 18 HG3 GLN 3 HG3 GLN 3 16.769 -21.920 -1.042 19 HE21 GLN 3 HE21 GLN 3 16.155 -25.320 -1.437 20 HE22 GLN 3 HE22 GLN 3 14.401 -25.199 -1.305 21 H SER 4 H SER 4 15.425 -20.032 -1.389 22 HA SER 4 HA SER 4 17.130 -17.634 -1.629 23 HB2 SER 4 HB2 SER 4 14.166 -17.794 -0.937 24 HB3 SER 4 HB3 SER 4 15.167 -16.374 -0.618 25 HG SER 4 HG SER 4 14.035 -16.184 -2.581 26 HA PRO 5 HA PRO 5 17.884 -18.973 2.543 27 HB2 PRO 5 HB2 PRO 5 18.589 -16.689 3.877 28 HB3 PRO 5 HB3 PRO 5 19.602 -17.392 2.581 29 HG2 PRO 5 HG2 PRO 5 17.599 -15.124 2.369 30 HG3 PRO 5 HG3 PRO 5 19.264 -15.211 1.698 31 HD2 PRO 5 HD2 PRO 5 17.054 -15.728 0.197 32 HD3 PRO 5 HD3 PRO 5 18.614 -16.556 -0.066 33 H GLY 6 H GLY 6 15.321 -16.816 1.798 34 HA2 GLY 6 HA2 GLY 6 13.307 -17.734 3.224 35 HA3 GLY 6 HA3 GLY 6 14.044 -16.580 4.372 36 H ASP 7 H ASP 7 11.477 -16.195 3.130 37 HA ASP 7 HA ASP 7 11.914 -13.580 1.921 38 HB2 ASP 7 HB2 ASP 7 10.680 -13.923 -0.019 39 HB3 ASP 7 HB3 ASP 7 11.959 -15.139 0.023 40 H SER 8 H SER 8 10.921 -14.566 4.421 41 HA SER 8 HA SER 8 8.224 -14.685 4.767 42 HB2 SER 8 HB2 SER 8 9.929 -13.012 6.643 43 HB3 SER 8 HB3 SER 8 8.636 -14.140 7.024 44 HG SER 8 HG SER 8 11.343 -14.564 6.414 45 H ARG 9 H ARG 9 10.108 -11.630 4.827 46 HA ARG 9 HA ARG 9 7.955 -9.867 5.075 47 HB2 ARG 9 HB2 ARG 9 9.470 -8.122 4.304 48 HB3 ARG 9 HB3 ARG 9 10.258 -9.227 5.411 49 HG2 ARG 9 HG2 ARG 9 10.912 -10.305 2.902 50 HG3 ARG 9 HG3 ARG 9 10.935 -8.568 2.611 51 HD2 ARG 9 HD2 ARG 9 12.427 -10.026 4.838 52 HD3 ARG 9 HD3 ARG 9 13.146 -9.569 3.297 53 HE ARG 9 HE ARG 9 12.104 -7.192 4.408 54 HH11 ARG 9 HH11 ARG 9 14.905 -9.409 5.158 55 HH12 ARG 9 HH12 ARG 9 15.286 -8.499 6.552 56 HH21 ARG 9 HH21 ARG 9 12.844 -6.022 6.097 57 HH22 ARG 9 HH22 ARG 9 14.257 -6.477 7.018 58 H ARG 10 H ARG 10 9.107 -11.435 2.086 59 HA ARG 10 HA ARG 10 7.615 -9.664 0.356 60 HB2 ARG 10 HB2 ARG 10 8.799 -12.442 -0.056 61 HB3 ARG 10 HB3 ARG 10 7.848 -11.640 -1.288 62 HG2 ARG 10 HG2 ARG 10 10.293 -10.301 -0.063 63 HG3 ARG 10 HG3 ARG 10 10.379 -11.406 -1.447 64 HD2 ARG 10 HD2 ARG 10 8.807 -10.036 -2.711 65 HD3 ARG 10 HD3 ARG 10 8.684 -8.881 -1.369 66 HE ARG 10 HE ARG 10 11.325 -8.832 -1.760 67 HH11 ARG 10 HH11 ARG 10 8.730 -8.620 -4.234 68 HH12 ARG 10 HH12 ARG 10 9.647 -7.459 -5.163 69 HH21 ARG 10 HH21 ARG 10 12.414 -7.423 -3.037 70 HH22 ARG 10 HH22 ARG 10 11.750 -6.858 -4.564 71 H LEU 11 H LEU 11 6.822 -12.823 1.913 72 HA LEU 11 HA LEU 11 4.379 -13.175 0.516 73 HB2 LEU 11 HB2 LEU 11 5.428 -14.169 3.184 74 HB3 LEU 11 HB3 LEU 11 3.716 -14.315 2.816 75 HG LEU 11 HG LEU 11 4.283 -15.461 0.664 76 HD11 LEU 11 HD11 LEU 11 6.497 -16.519 0.439 77 HD12 LEU 11 HD12 LEU 11 7.080 -15.636 1.868 78 HD13 LEU 11 HD13 LEU 11 6.631 -14.769 0.382 79 HD21 LEU 11 HD21 LEU 11 5.189 -16.805 3.238 80 HD22 LEU 11 HD22 LEU 11 4.719 -17.637 1.735 81 HD23 LEU 11 HD23 LEU 11 3.520 -16.689 2.630 82 H SER 12 H SER 12 5.047 -11.490 3.630 83 HA SER 12 HA SER 12 2.358 -10.716 3.979 84 HB2 SER 12 HB2 SER 12 4.503 -10.639 5.594 85 HB3 SER 12 HB3 SER 12 4.461 -8.926 5.114 86 HG SER 12 HG SER 12 3.136 -9.697 7.000 87 H ILE 13 H ILE 13 5.087 -8.814 2.499 88 HA ILE 13 HA ILE 13 3.628 -6.523 1.909 89 HB ILE 13 HB ILE 13 5.888 -7.846 0.347 90 HG12 ILE 13 HG12 ILE 13 5.883 -5.327 2.056 91 HG13 ILE 13 HG13 ILE 13 6.188 -6.913 2.739 92 HG21 ILE 13 HG21 ILE 13 4.617 -5.122 -0.129 93 HG22 ILE 13 HG22 ILE 13 6.204 -5.597 -0.762 94 HG23 ILE 13 HG23 ILE 13 4.789 -6.485 -1.271 95 HD11 ILE 13 HD11 ILE 13 7.860 -5.515 0.614 96 HD12 ILE 13 HD12 ILE 13 8.343 -5.926 2.271 97 HD13 ILE 13 HD13 ILE 13 8.090 -7.217 1.089 98 H GLN 14 H GLN 14 3.931 -9.496 -0.105 99 HA GLN 14 HA GLN 14 2.219 -8.623 -2.217 100 HB2 GLN 14 HB2 GLN 14 2.912 -11.441 -1.274 101 HB3 GLN 14 HB3 GLN 14 1.897 -11.092 -2.676 102 HG2 GLN 14 HG2 GLN 14 3.755 -9.662 -3.600 103 HG3 GLN 14 HG3 GLN 14 4.804 -10.234 -2.309 104 HE21 GLN 14 HE21 GLN 14 2.673 -11.429 -4.909 105 HE22 GLN 14 HE22 GLN 14 3.626 -12.805 -5.358 106 H ARG 15 H ARG 15 1.345 -10.642 0.649 107 HA ARG 15 HA ARG 15 -1.412 -10.781 0.064 108 HB2 ARG 15 HB2 ARG 15 0.077 -10.826 2.717 109 HB3 ARG 15 HB3 ARG 15 -1.635 -11.165 2.606 110 HG2 ARG 15 HG2 ARG 15 0.407 -12.707 0.972 111 HG3 ARG 15 HG3 ARG 15 0.089 -13.141 2.650 112 HD2 ARG 15 HD2 ARG 15 -2.119 -12.805 0.625 113 HD3 ARG 15 HD3 ARG 15 -1.240 -14.345 0.817 114 HE ARG 15 HE ARG 15 -1.958 -13.827 3.360 115 HH11 ARG 15 HH11 ARG 15 -3.960 -13.904 0.382 116 HH12 ARG 15 HH12 ARG 15 -5.343 -14.518 1.209 117 HH21 ARG 15 HH21 ARG 15 -3.814 -14.746 4.389 118 HH22 ARG 15 HH22 ARG 15 -5.168 -15.214 3.451 119 H ALA 16 H ALA 16 0.384 -8.262 1.864 120 HA ALA 16 HA ALA 16 -1.895 -6.814 2.741 121 HB1 ALA 16 HB1 ALA 16 -0.301 -5.009 3.160 122 HB2 ALA 16 HB2 ALA 16 0.358 -6.556 3.717 123 HB3 ALA 16 HB3 ALA 16 0.945 -5.839 2.203 124 H ILE 17 H ILE 17 0.275 -6.311 -0.114 125 HA ILE 17 HA ILE 17 -1.085 -4.121 -1.231 126 HB ILE 17 HB ILE 17 0.373 -6.406 -2.632 127 HG12 ILE 17 HG12 ILE 17 1.509 -3.627 -2.349 128 HG13 ILE 17 HG13 ILE 17 1.591 -4.707 -0.956 129 HG21 ILE 17 HG21 ILE 17 -0.423 -3.682 -3.754 130 HG22 ILE 17 HG22 ILE 17 0.709 -4.794 -4.542 131 HG23 ILE 17 HG23 ILE 17 -0.990 -5.256 -4.328 132 HD11 ILE 17 HD11 ILE 17 2.770 -6.385 -2.295 133 HD12 ILE 17 HD12 ILE 17 2.626 -5.391 -3.729 134 HD13 ILE 17 HD13 ILE 17 3.611 -4.816 -2.369 135 H GLN 18 H GLN 18 -1.569 -7.607 -1.857 136 HA GLN 18 HA GLN 18 -3.667 -7.402 -3.749 137 HB2 GLN 18 HB2 GLN 18 -2.832 -9.546 -1.757 138 HB3 GLN 18 HB3 GLN 18 -4.082 -9.817 -2.964 139 HG2 GLN 18 HG2 GLN 18 -2.586 -9.541 -4.796 140 HG3 GLN 18 HG3 GLN 18 -1.301 -8.898 -3.777 141 HE21 GLN 18 HE21 GLN 18 -1.575 -11.481 -5.615 142 HE22 GLN 18 HE22 GLN 18 -0.852 -12.655 -4.534 143 H SER 19 H SER 19 -3.792 -7.664 -0.152 144 HA SER 19 HA SER 19 -6.650 -7.728 -0.060 145 HB2 SER 19 HB2 SER 19 -5.030 -8.478 1.737 146 HB3 SER 19 HB3 SER 19 -4.743 -6.764 2.109 147 HG SER 19 HG SER 19 -7.258 -6.835 2.181 148 H LEU 20 H LEU 20 -4.261 -5.029 0.028 149 HA LEU 20 HA LEU 20 -6.133 -3.025 0.822 150 HB2 LEU 20 HB2 LEU 20 -3.466 -3.017 0.639 151 HB3 LEU 20 HB3 LEU 20 -3.775 -2.351 -0.952 152 HG LEU 20 HG LEU 20 -4.791 -1.244 1.705 153 HD11 LEU 20 HD11 LEU 20 -2.412 -0.988 1.455 154 HD12 LEU 20 HD12 LEU 20 -3.198 0.576 1.284 155 HD13 LEU 20 HD13 LEU 20 -2.605 -0.274 -0.164 156 HD21 LEU 20 HD21 LEU 20 -6.406 -0.583 0.084 157 HD22 LEU 20 HD22 LEU 20 -5.135 -0.086 -1.070 158 HD23 LEU 20 HD23 LEU 20 -5.406 0.796 0.461 159 H VAL 21 H VAL 21 -4.811 -3.846 -2.480 160 HA VAL 21 HA VAL 21 -6.560 -2.016 -3.710 161 HB VAL 21 HB VAL 21 -6.055 -2.957 -5.814 162 HG11 VAL 21 HG11 VAL 21 -3.784 -2.453 -5.779 163 HG12 VAL 21 HG12 VAL 21 -4.436 -1.564 -4.423 164 HG13 VAL 21 HG13 VAL 21 -3.529 -3.070 -4.135 165 HG21 VAL 21 HG21 VAL 21 -6.257 -5.326 -5.424 166 HG22 VAL 21 HG22 VAL 21 -4.650 -4.977 -6.081 167 HG23 VAL 21 HG23 VAL 21 -4.843 -5.323 -4.345 168 H HIS 22 H HIS 22 -7.128 -5.384 -2.707 169 HA HIS 22 HA HIS 22 -9.566 -5.625 -4.218 170 HB2 HIS 22 HB2 HIS 22 -8.471 -7.633 -3.467 171 HB3 HIS 22 HB3 HIS 22 -8.505 -7.099 -1.787 172 HD1 HIS 22 HD1 HIS 22 -11.433 -7.337 -4.383 173 HD2 HIS 22 HD2 HIS 22 -10.275 -8.320 -0.448 174 HE1 HIS 22 HE1 HIS 22 -13.531 -8.157 -3.193 175 H ALA 23 H ALA 23 -8.893 -4.797 -0.724 176 HA ALA 23 HA ALA 23 -11.503 -4.303 0.077 177 HB1 ALA 23 HB1 ALA 23 -10.411 -2.827 1.823 178 HB2 ALA 23 HB2 ALA 23 -9.663 -4.423 1.636 179 HB3 ALA 23 HB3 ALA 23 -8.897 -2.981 0.925 180 H ALA 24 H ALA 24 -9.380 -2.220 -1.821 181 HA ALA 24 HA ALA 24 -10.792 0.236 -1.458 182 HB1 ALA 24 HB1 ALA 24 -9.439 0.901 -3.516 183 HB2 ALA 24 HB2 ALA 24 -8.461 0.208 -2.210 184 HB3 ALA 24 HB3 ALA 24 -8.903 -0.766 -3.628 185 H GLN 25 H GLN 25 -11.417 -2.481 -3.508 186 HA GLN 25 HA GLN 25 -13.709 -1.052 -4.787 187 HB2 GLN 25 HB2 GLN 25 -13.339 -2.555 -6.712 188 HB3 GLN 25 HB3 GLN 25 -11.959 -1.496 -6.374 189 HG2 GLN 25 HG2 GLN 25 -10.897 -3.381 -5.102 190 HG3 GLN 25 HG3 GLN 25 -12.206 -4.416 -5.551 191 HE21 GLN 25 HE21 GLN 25 -9.102 -3.766 -6.163 192 HE22 GLN 25 HE22 GLN 25 -9.001 -4.224 -7.871 193 H CYS 26 H CYS 26 -13.026 -3.387 -2.520 194 HA CYS 26 HA CYS 26 -14.766 -5.500 -3.021 195 HB2 CYS 26 HB2 CYS 26 -12.944 -5.487 -1.430 196 HB3 CYS 26 HB3 CYS 26 -13.793 -4.298 -0.420 197 H ARG 27 H ARG 27 -16.836 -5.172 -3.601 198 HA ARG 27 HA ARG 27 -18.678 -3.687 -1.731 199 HB2 ARG 27 HB2 ARG 27 -19.010 -4.274 -4.703 200 HB3 ARG 27 HB3 ARG 27 -20.213 -3.489 -3.675 201 HG2 ARG 27 HG2 ARG 27 -18.676 -1.598 -3.270 202 HG3 ARG 27 HG3 ARG 27 -17.433 -2.387 -4.223 203 HD2 ARG 27 HD2 ARG 27 -18.338 -0.795 -5.670 204 HD3 ARG 27 HD3 ARG 27 -18.999 -2.351 -6.201 205 HE ARG 27 HE ARG 27 -20.627 -0.777 -4.316 206 HH11 ARG 27 HH11 ARG 27 -19.864 -1.213 -7.772 207 HH12 ARG 27 HH12 ARG 27 -21.481 -0.856 -8.290 208 HH21 ARG 27 HH21 ARG 27 -22.725 -0.118 -5.069 209 HH22 ARG 27 HH22 ARG 27 -23.059 -0.050 -6.754 210 H ASN 28 H ASN 28 -17.843 -6.776 -3.074 211 HA ASN 28 HA ASN 28 -20.418 -8.038 -2.735 212 HB2 ASN 28 HB2 ASN 28 -17.798 -9.560 -2.883 213 HB3 ASN 28 HB3 ASN 28 -19.398 -10.069 -3.366 214 HD21 ASN 28 HD21 ASN 28 -16.599 -8.091 -4.217 215 HD22 ASN 28 HD22 ASN 28 -17.201 -7.553 -5.791 216 H ALA 29 H ALA 29 -21.244 -8.415 -0.815 217 HA ALA 29 HA ALA 29 -19.987 -8.147 1.713 218 HB1 ALA 29 HB1 ALA 29 -22.144 -9.201 2.485 219 HB2 ALA 29 HB2 ALA 29 -22.401 -7.869 1.338 220 HB3 ALA 29 HB3 ALA 29 -22.544 -9.562 0.808 221 H ASN 30 H ASN 30 -20.411 -10.889 -0.419 222 HA ASN 30 HA ASN 30 -20.036 -13.078 1.278 223 HB2 ASN 30 HB2 ASN 30 -20.793 -13.129 -1.057 224 HB3 ASN 30 HB3 ASN 30 -19.185 -12.696 -1.619 225 HD21 ASN 30 HD21 ASN 30 -18.821 -14.632 -2.821 226 HD22 ASN 30 HD22 ASN 30 -18.766 -16.207 -2.049 227 H CYS 31 H CYS 31 -17.708 -10.736 0.287 228 HA CYS 31 HA CYS 31 -15.301 -12.428 0.727 229 HB2 CYS 31 HB2 CYS 31 -15.094 -10.508 -0.876 230 HB3 CYS 31 HB3 CYS 31 -15.670 -9.406 0.401 231 H SER 32 H SER 32 -14.609 -12.813 2.854 232 HA SER 32 HA SER 32 -15.021 -10.696 4.872 233 HB2 SER 32 HB2 SER 32 -16.297 -13.436 5.020 234 HB3 SER 32 HB3 SER 32 -15.846 -12.531 6.478 235 HG SER 32 HG SER 32 -17.456 -11.435 4.407 236 H LEU 33 H LEU 33 -12.871 -10.369 4.925 237 HA LEU 33 HA LEU 33 -11.182 -12.479 6.139 238 HB2 LEU 33 HB2 LEU 33 -10.466 -10.532 3.907 239 HB3 LEU 33 HB3 LEU 33 -9.291 -11.503 4.788 240 HG LEU 33 HG LEU 33 -11.553 -12.659 3.092 241 HD11 LEU 33 HD11 LEU 33 -8.587 -12.309 2.449 242 HD12 LEU 33 HD12 LEU 33 -9.933 -11.390 1.747 243 HD13 LEU 33 HD13 LEU 33 -9.826 -13.109 1.423 244 HD21 LEU 33 HD21 LEU 33 -10.786 -14.208 4.870 245 HD22 LEU 33 HD22 LEU 33 -9.102 -13.987 4.364 246 HD23 LEU 33 HD23 LEU 33 -10.302 -14.777 3.296 247 HA PRO 34 HA PRO 34 -10.749 -9.134 9.035 248 HB2 PRO 34 HB2 PRO 34 -8.271 -9.649 10.155 249 HB3 PRO 34 HB3 PRO 34 -9.778 -10.563 10.509 250 HG2 PRO 34 HG2 PRO 34 -7.627 -11.264 8.480 251 HG3 PRO 34 HG3 PRO 34 -8.317 -12.320 9.757 252 HD2 PRO 34 HD2 PRO 34 -9.290 -12.480 7.283 253 HD3 PRO 34 HD3 PRO 34 -10.423 -12.415 8.672 254 H SER 35 H SER 35 -7.955 -9.775 6.849 255 HA SER 35 HA SER 35 -6.790 -7.202 7.113 256 HB2 SER 35 HB2 SER 35 -5.730 -7.844 4.897 257 HB3 SER 35 HB3 SER 35 -5.451 -8.876 6.300 258 HG SER 35 HG SER 35 -6.457 -10.501 5.396 259 H CYS 36 H CYS 36 -8.954 -8.558 4.615 260 HA CYS 36 HA CYS 36 -9.338 -6.231 3.112 261 HB2 CYS 36 HB2 CYS 36 -10.118 -8.601 2.574 262 HB3 CYS 36 HB3 CYS 36 -11.511 -8.308 3.628 263 H GLN 37 H GLN 37 -11.228 -7.379 5.919 264 HA GLN 37 HA GLN 37 -13.064 -5.228 6.040 265 HB2 GLN 37 HB2 GLN 37 -12.012 -7.072 8.204 266 HB3 GLN 37 HB3 GLN 37 -13.380 -5.996 8.440 267 HG2 GLN 37 HG2 GLN 37 -13.374 -8.035 6.174 268 HG3 GLN 37 HG3 GLN 37 -13.757 -8.486 7.832 269 HE21 GLN 37 HE21 GLN 37 -15.784 -9.113 6.297 270 HE22 GLN 37 HE22 GLN 37 -17.004 -7.897 6.139 271 H LYS 38 H LYS 38 -9.914 -5.589 7.892 272 HA LYS 38 HA LYS 38 -10.286 -2.957 9.049 273 HB2 LYS 38 HB2 LYS 38 -8.145 -3.038 9.980 274 HB3 LYS 38 HB3 LYS 38 -8.814 -4.660 10.096 275 HG2 LYS 38 HG2 LYS 38 -7.442 -5.329 8.130 276 HG3 LYS 38 HG3 LYS 38 -6.723 -3.721 8.074 277 HD2 LYS 38 HD2 LYS 38 -6.508 -5.615 10.460 278 HD3 LYS 38 HD3 LYS 38 -5.346 -5.518 9.133 279 HE2 LYS 38 HE2 LYS 38 -5.115 -3.032 9.674 280 HE3 LYS 38 HE3 LYS 38 -6.005 -3.348 11.164 281 HZ1 LYS 38 HZ1 LYS 38 -3.605 -3.391 11.564 282 HZ2 LYS 38 HZ2 LYS 38 -3.388 -4.513 10.392 283 HZ3 LYS 38 HZ3 LYS 38 -4.186 -4.900 11.778 284 H MET 39 H MET 39 -8.779 -4.033 6.022 285 HA MET 39 HA MET 39 -7.543 -1.595 5.323 286 HB2 MET 39 HB2 MET 39 -8.561 -3.926 3.671 287 HB3 MET 39 HB3 MET 39 -7.821 -2.500 2.947 288 HG2 MET 39 HG2 MET 39 -6.429 -4.284 4.978 289 HG3 MET 39 HG3 MET 39 -6.269 -4.382 3.226 290 HE1 MET 39 HE1 MET 39 -2.884 -2.885 3.354 291 HE2 MET 39 HE2 MET 39 -3.540 -4.308 4.196 292 HE3 MET 39 HE3 MET 39 -4.054 -3.938 2.537 293 H LYS 40 H LYS 40 -10.973 -2.649 5.130 294 HA LYS 40 HA LYS 40 -11.833 -0.755 3.268 295 HB2 LYS 40 HB2 LYS 40 -13.426 -1.384 5.783 296 HB3 LYS 40 HB3 LYS 40 -14.044 -0.769 4.260 297 HG2 LYS 40 HG2 LYS 40 -13.038 -3.540 4.852 298 HG3 LYS 40 HG3 LYS 40 -14.693 -3.048 4.553 299 HD2 LYS 40 HD2 LYS 40 -14.117 -2.578 2.175 300 HD3 LYS 40 HD3 LYS 40 -12.434 -2.994 2.553 301 HE2 LYS 40 HE2 LYS 40 -13.319 -4.926 1.523 302 HE3 LYS 40 HE3 LYS 40 -13.132 -5.283 3.231 303 HZ1 LYS 40 HZ1 LYS 40 -15.673 -4.638 1.847 304 HZ2 LYS 40 HZ2 LYS 40 -15.550 -4.897 3.470 305 HZ3 LYS 40 HZ3 LYS 40 -15.236 -6.088 2.420 306 H ARG 41 H ARG 41 -10.923 -0.315 6.664 307 HA ARG 41 HA ARG 41 -12.014 2.379 6.879 308 HB2 ARG 41 HB2 ARG 41 -9.780 1.052 8.496 309 HB3 ARG 41 HB3 ARG 41 -10.531 2.597 8.877 310 HG2 ARG 41 HG2 ARG 41 -11.974 -0.087 8.826 311 HG3 ARG 41 HG3 ARG 41 -11.464 0.812 10.258 312 HD2 ARG 41 HD2 ARG 41 -12.929 2.748 9.465 313 HD3 ARG 41 HD3 ARG 41 -13.538 1.678 8.202 314 HE ARG 41 HE ARG 41 -14.488 0.243 9.745 315 HH11 ARG 41 HH11 ARG 41 -13.257 3.223 11.336 316 HH12 ARG 41 HH12 ARG 41 -14.357 3.098 12.664 317 HH21 ARG 41 HH21 ARG 41 -15.798 0.032 11.599 318 HH22 ARG 41 HH22 ARG 41 -15.588 1.086 12.965 319 H VAL 42 H VAL 42 -8.829 1.101 5.911 320 HA VAL 42 HA VAL 42 -7.499 3.607 5.770 321 HB VAL 42 HB VAL 42 -7.029 1.133 4.031 322 HG11 VAL 42 HG11 VAL 42 -5.803 3.236 3.349 323 HG12 VAL 42 HG12 VAL 42 -5.047 3.256 4.946 324 HG13 VAL 42 HG13 VAL 42 -4.751 1.902 3.832 325 HG21 VAL 42 HG21 VAL 42 -5.364 0.438 5.724 326 HG22 VAL 42 HG22 VAL 42 -5.838 1.813 6.741 327 HG23 VAL 42 HG23 VAL 42 -6.976 0.480 6.438 328 H VAL 43 H VAL 43 -9.330 1.718 3.275 329 HA VAL 43 HA VAL 43 -8.988 3.727 1.281 330 HB VAL 43 HB VAL 43 -10.545 2.349 -0.025 331 HG11 VAL 43 HG11 VAL 43 -9.422 0.090 0.214 332 HG12 VAL 43 HG12 VAL 43 -8.296 1.432 0.084 333 HG13 VAL 43 HG13 VAL 43 -8.609 0.668 1.647 334 HG21 VAL 43 HG21 VAL 43 -12.249 1.893 1.618 335 HG22 VAL 43 HG22 VAL 43 -11.691 0.436 0.797 336 HG23 VAL 43 HG23 VAL 43 -11.070 0.818 2.414 337 H GLN 44 H GLN 44 -11.646 3.120 3.563 338 HA GLN 44 HA GLN 44 -13.408 5.078 2.610 339 HB2 GLN 44 HB2 GLN 44 -13.985 3.307 4.219 340 HB3 GLN 44 HB3 GLN 44 -12.938 4.031 5.446 341 HG2 GLN 44 HG2 GLN 44 -14.453 5.987 5.580 342 HG3 GLN 44 HG3 GLN 44 -15.480 5.259 4.328 343 HE21 GLN 44 HE21 GLN 44 -14.867 5.367 7.763 344 HE22 GLN 44 HE22 GLN 44 -15.845 4.003 8.203 345 H HIS 45 H HIS 45 -10.610 5.332 4.758 346 HA HIS 45 HA HIS 45 -10.968 8.064 5.590 347 HB2 HIS 45 HB2 HIS 45 -9.722 6.548 6.927 348 HB3 HIS 45 HB3 HIS 45 -8.682 6.080 5.597 349 HD1 HIS 45 HD1 HIS 45 -9.101 8.880 8.155 350 HD2 HIS 45 HD2 HIS 45 -6.581 7.575 5.029 351 HE1 HIS 45 HE1 HIS 45 -7.004 10.298 8.274 352 H THR 46 H THR 46 -8.715 6.478 3.132 353 HA THR 46 HA THR 46 -7.936 8.967 2.127 354 HB THR 46 HB THR 46 -6.849 7.774 0.337 355 HG1 THR 46 HG1 THR 46 -8.231 6.117 -0.125 356 HG21 THR 46 HG21 THR 46 -6.068 7.913 2.794 357 HG22 THR 46 HG22 THR 46 -5.283 6.738 1.767 358 HG23 THR 46 HG23 THR 46 -6.543 6.195 2.902 359 H LYS 47 H LYS 47 -10.853 7.232 1.301 360 HA LYS 47 HA LYS 47 -11.354 8.505 -1.206 361 HB2 LYS 47 HB2 LYS 47 -13.094 7.238 0.896 362 HB3 LYS 47 HB3 LYS 47 -13.870 8.411 -0.144 363 HG2 LYS 47 HG2 LYS 47 -14.315 6.550 -1.313 364 HG3 LYS 47 HG3 LYS 47 -12.870 7.081 -2.149 365 HD2 LYS 47 HD2 LYS 47 -11.537 5.362 -1.103 366 HD3 LYS 47 HD3 LYS 47 -12.827 5.011 0.089 367 HE2 LYS 47 HE2 LYS 47 -14.251 4.074 -1.452 368 HE3 LYS 47 HE3 LYS 47 -13.321 4.651 -2.863 369 HZ1 LYS 47 HZ1 LYS 47 -12.773 2.472 -0.999 370 HZ2 LYS 47 HZ2 LYS 47 -11.557 3.082 -1.992 371 HZ3 LYS 47 HZ3 LYS 47 -12.898 2.375 -2.617 372 H GLY 48 H GLY 48 -11.467 9.832 2.079 373 HA2 GLY 48 HA2 GLY 48 -12.599 12.405 1.059 374 HA3 GLY 48 HA3 GLY 48 -12.615 11.820 2.719 375 H CYS 49 H CYS 49 -9.570 11.130 1.535 376 HA CYS 49 HA CYS 49 -8.347 13.152 3.179 377 HB2 CYS 49 HB2 CYS 49 -7.394 10.822 1.533 378 HB3 CYS 49 HB3 CYS 49 -6.223 11.971 2.064 379 H LYS 50 H LYS 50 -9.483 14.910 1.758 380 HA LYS 50 HA LYS 50 -7.832 15.627 -0.612 381 HB2 LYS 50 HB2 LYS 50 -10.218 16.111 -0.667 382 HB3 LYS 50 HB3 LYS 50 -10.108 17.034 0.824 383 HG2 LYS 50 HG2 LYS 50 -10.312 18.518 -1.043 384 HG3 LYS 50 HG3 LYS 50 -8.752 18.760 -0.280 385 HD2 LYS 50 HD2 LYS 50 -7.590 17.648 -2.099 386 HD3 LYS 50 HD3 LYS 50 -9.107 16.989 -2.731 387 HE2 LYS 50 HE2 LYS 50 -8.425 18.824 -4.141 388 HE3 LYS 50 HE3 LYS 50 -9.911 19.235 -3.286 389 HZ1 LYS 50 HZ1 LYS 50 -8.517 21.096 -3.225 390 HZ2 LYS 50 HZ2 LYS 50 -7.208 20.299 -2.737 391 HZ3 LYS 50 HZ3 LYS 50 -8.458 20.528 -1.698 392 H ARG 51 H ARG 51 -7.885 16.261 2.867 393 HA ARG 51 HA ARG 51 -6.363 18.577 2.914 394 HB2 ARG 51 HB2 ARG 51 -5.775 18.033 5.218 395 HB3 ARG 51 HB3 ARG 51 -7.485 17.839 4.880 396 HG2 ARG 51 HG2 ARG 51 -7.150 15.359 4.707 397 HG3 ARG 51 HG3 ARG 51 -5.463 15.606 5.200 398 HD2 ARG 51 HD2 ARG 51 -7.941 16.272 6.840 399 HD3 ARG 51 HD3 ARG 51 -6.866 14.882 7.067 400 HE ARG 51 HE ARG 51 -5.649 17.573 7.176 401 HH11 ARG 51 HH11 ARG 51 -6.863 14.839 9.206 402 HH12 ARG 51 HH12 ARG 51 -5.990 15.387 10.580 403 HH21 ARG 51 HH21 ARG 51 -4.580 18.186 8.904 404 HH22 ARG 51 HH22 ARG 51 -4.430 17.245 10.358 405 H LYS 52 H LYS 52 -5.223 15.401 2.093 406 HA LYS 52 HA LYS 52 -2.513 15.669 2.674 407 HB2 LYS 52 HB2 LYS 52 -2.101 13.916 1.127 408 HB3 LYS 52 HB3 LYS 52 -3.675 13.608 1.839 409 HG2 LYS 52 HG2 LYS 52 -4.627 14.847 -0.248 410 HG3 LYS 52 HG3 LYS 52 -3.016 14.624 -0.951 411 HD2 LYS 52 HD2 LYS 52 -3.208 12.163 -0.613 412 HD3 LYS 52 HD3 LYS 52 -4.808 12.381 0.094 413 HE2 LYS 52 HE2 LYS 52 -3.939 12.782 -2.781 414 HE3 LYS 52 HE3 LYS 52 -5.195 11.705 -2.136 415 HZ1 LYS 52 HZ1 LYS 52 -6.127 13.647 -3.226 416 HZ2 LYS 52 HZ2 LYS 52 -5.334 14.642 -2.232 417 HZ3 LYS 52 HZ3 LYS 52 -6.540 13.636 -1.648 418 H THR 53 H THR 53 -4.259 17.567 0.373 419 HA THR 53 HA THR 53 -2.093 18.140 -1.393 420 HB THR 53 HB THR 53 -4.520 18.407 -1.837 421 HG1 THR 53 HG1 THR 53 -3.069 20.816 -2.129 422 HG21 THR 53 HG21 THR 53 -4.525 21.058 -0.390 423 HG22 THR 53 HG22 THR 53 -5.040 19.588 0.440 424 HG23 THR 53 HG23 THR 53 -5.872 20.107 -1.023 425 H ASN 54 H ASN 54 -2.908 19.297 1.846 426 HA ASN 54 HA ASN 54 -0.724 21.338 1.676 427 HB2 ASN 54 HB2 ASN 54 -3.379 21.419 3.144 428 HB3 ASN 54 HB3 ASN 54 -1.978 22.375 3.636 429 HD21 ASN 54 HD21 ASN 54 -2.862 24.446 3.162 430 HD22 ASN 54 HD22 ASN 54 -3.125 24.891 1.468 431 H GLY 55 H GLY 55 -2.439 18.995 3.848 432 HA2 GLY 55 HA2 GLY 55 0.071 18.175 5.035 433 HA3 GLY 55 HA3 GLY 55 -0.911 19.193 6.105 434 H GLY 56 H GLY 56 -0.729 16.123 4.399 435 HA2 GLY 56 HA2 GLY 56 -3.293 15.191 5.618 436 HA3 GLY 56 HA3 GLY 56 -2.439 14.408 4.285 437 H CYS 57 H CYS 57 -3.284 13.031 6.488 438 HA CYS 57 HA CYS 57 -1.379 12.621 8.512 439 HB2 CYS 57 HB2 CYS 57 -2.927 10.265 8.072 440 HB3 CYS 57 HB3 CYS 57 -3.134 11.527 9.276 441 HA PRO 58 HA PRO 58 1.609 9.933 6.677 442 HB2 PRO 58 HB2 PRO 58 1.836 7.710 8.258 443 HB3 PRO 58 HB3 PRO 58 2.380 9.337 8.762 444 HG2 PRO 58 HG2 PRO 58 -0.249 7.983 9.441 445 HG3 PRO 58 HG3 PRO 58 0.893 8.801 10.555 446 HD2 PRO 58 HD2 PRO 58 -1.265 10.095 9.581 447 HD3 PRO 58 HD3 PRO 58 0.302 10.941 9.727 448 H ILE 59 H ILE 59 -1.472 8.397 7.478 449 HA ILE 59 HA ILE 59 -1.439 6.101 5.979 450 HB ILE 59 HB ILE 59 -3.872 7.915 6.259 451 HG12 ILE 59 HG12 ILE 59 -2.591 6.043 8.278 452 HG13 ILE 59 HG13 ILE 59 -2.888 7.767 8.464 453 HG21 ILE 59 HG21 ILE 59 -4.118 5.915 4.765 454 HG22 ILE 59 HG22 ILE 59 -3.614 4.877 6.114 455 HG23 ILE 59 HG23 ILE 59 -5.134 5.794 6.198 456 HD11 ILE 59 HD11 ILE 59 -4.475 6.623 9.810 457 HD12 ILE 59 HD12 ILE 59 -5.354 7.325 8.442 458 HD13 ILE 59 HD13 ILE 59 -4.989 5.580 8.481 459 H CYS 60 H CYS 60 -2.401 9.404 4.827 460 HA CYS 60 HA CYS 60 -3.106 8.811 2.225 461 HB2 CYS 60 HB2 CYS 60 -1.636 11.294 3.217 462 HB3 CYS 60 HB3 CYS 60 -2.759 11.185 1.864 463 H LYS 61 H LYS 61 0.098 9.497 3.552 464 HA LYS 61 HA LYS 61 1.437 9.455 0.928 465 HB2 LYS 61 HB2 LYS 61 2.488 9.681 3.781 466 HB3 LYS 61 HB3 LYS 61 3.520 9.658 2.343 467 HG2 LYS 61 HG2 LYS 61 2.315 11.611 1.418 468 HG3 LYS 61 HG3 LYS 61 1.319 11.716 2.873 469 HD2 LYS 61 HD2 LYS 61 4.358 11.951 2.796 470 HD3 LYS 61 HD3 LYS 61 3.264 13.321 2.778 471 HE2 LYS 61 HE2 LYS 61 3.497 11.269 5.036 472 HE3 LYS 61 HE3 LYS 61 4.215 12.873 5.026 473 HZ1 LYS 61 HZ1 LYS 61 1.312 12.305 5.076 474 HZ2 LYS 61 HZ2 LYS 61 1.982 13.817 4.953 475 HZ3 LYS 61 HZ3 LYS 61 2.234 12.880 6.280 476 H GLN 62 H GLN 62 1.268 7.243 3.784 477 HA GLN 62 HA GLN 62 3.052 5.336 2.575 478 HB2 GLN 62 HB2 GLN 62 1.096 5.209 4.906 479 HB3 GLN 62 HB3 GLN 62 2.064 3.834 4.381 480 HG2 GLN 62 HG2 GLN 62 3.115 6.535 5.247 481 HG3 GLN 62 HG3 GLN 62 3.200 5.046 6.196 482 HE21 GLN 62 HE21 GLN 62 4.510 3.153 5.128 483 HE22 GLN 62 HE22 GLN 62 5.840 3.540 4.119 484 H LEU 63 H LEU 63 -0.354 5.854 2.309 485 HA LEU 63 HA LEU 63 -1.065 3.315 1.208 486 HB2 LEU 63 HB2 LEU 63 -2.799 4.977 1.703 487 HB3 LEU 63 HB3 LEU 63 -2.146 6.074 0.480 488 HG LEU 63 HG LEU 63 -2.748 4.461 -1.320 489 HD11 LEU 63 HD11 LEU 63 -4.277 2.536 -0.734 490 HD12 LEU 63 HD12 LEU 63 -3.852 2.787 0.980 491 HD13 LEU 63 HD13 LEU 63 -2.613 2.316 -0.204 492 HD21 LEU 63 HD21 LEU 63 -4.369 6.195 -0.515 493 HD22 LEU 63 HD22 LEU 63 -5.041 5.005 0.565 494 HD23 LEU 63 HD23 LEU 63 -5.162 4.762 -1.194 495 H ILE 64 H ILE 64 0.349 6.200 -0.378 496 HA ILE 64 HA ILE 64 0.379 5.096 -2.997 497 HB ILE 64 HB ILE 64 1.712 7.390 -1.590 498 HG12 ILE 64 HG12 ILE 64 0.050 7.428 -4.141 499 HG13 ILE 64 HG13 ILE 64 -0.669 7.282 -2.533 500 HG21 ILE 64 HG21 ILE 64 2.793 8.169 -3.696 501 HG22 ILE 64 HG22 ILE 64 3.537 6.715 -3.057 502 HG23 ILE 64 HG23 ILE 64 2.437 6.591 -4.435 503 HD11 ILE 64 HD11 ILE 64 0.326 9.370 -1.786 504 HD12 ILE 64 HD12 ILE 64 1.028 9.621 -3.399 505 HD13 ILE 64 HD13 ILE 64 -0.735 9.579 -3.186 506 H ALA 65 H ALA 65 2.660 4.806 -0.255 507 HA ALA 65 HA ALA 65 4.860 3.791 -1.693 508 HB1 ALA 65 HB1 ALA 65 4.067 3.005 1.153 509 HB2 ALA 65 HB2 ALA 65 5.660 2.904 0.421 510 HB3 ALA 65 HB3 ALA 65 4.943 4.495 0.717 511 H LEU 66 H LEU 66 2.208 2.004 -0.046 512 HA LEU 66 HA LEU 66 3.111 -0.523 -1.113 513 HB2 LEU 66 HB2 LEU 66 1.731 0.000 1.070 514 HB3 LEU 66 HB3 LEU 66 0.334 -0.025 -0.001 515 HG LEU 66 HG LEU 66 1.039 -2.328 -0.740 516 HD11 LEU 66 HD11 LEU 66 3.020 -2.075 1.572 517 HD12 LEU 66 HD12 LEU 66 3.444 -2.360 -0.136 518 HD13 LEU 66 HD13 LEU 66 2.604 -3.597 0.797 519 HD21 LEU 66 HD21 LEU 66 0.330 -3.476 1.347 520 HD22 LEU 66 HD22 LEU 66 -0.693 -2.121 0.891 521 HD23 LEU 66 HD23 LEU 66 0.498 -1.939 2.213 522 H ALA 67 H ALA 67 0.659 1.873 -2.149 523 HA ALA 67 HA ALA 67 -0.592 0.194 -4.067 524 HB1 ALA 67 HB1 ALA 67 -0.342 3.215 -3.990 525 HB2 ALA 67 HB2 ALA 67 -1.418 2.305 -5.070 526 HB3 ALA 67 HB3 ALA 67 -1.659 2.235 -3.313 527 H ALA 68 H ALA 68 2.443 2.065 -4.227 528 HA ALA 68 HA ALA 68 2.740 2.015 -7.039 529 HB1 ALA 68 HB1 ALA 68 4.934 1.847 -4.940 530 HB2 ALA 68 HB2 ALA 68 5.134 2.384 -6.618 531 HB3 ALA 68 HB3 ALA 68 4.174 3.364 -5.494 532 H TYR 69 H TYR 69 3.166 -0.582 -4.663 533 HA TYR 69 HA TYR 69 4.739 -2.272 -6.443 534 HB2 TYR 69 HB2 TYR 69 3.218 -2.772 -3.860 535 HB3 TYR 69 HB3 TYR 69 3.838 -4.070 -4.880 536 HD1 TYR 69 HD1 TYR 69 5.302 -0.787 -3.680 537 HD2 TYR 69 HD2 TYR 69 5.659 -5.071 -3.924 538 HE1 TYR 69 HE1 TYR 69 7.627 -0.632 -2.896 539 HE2 TYR 69 HE2 TYR 69 8.005 -4.936 -3.140 540 HH TYR 69 HH TYR 69 9.879 -3.351 -3.086 541 H HIS 70 H HIS 70 1.241 -1.697 -5.734 542 HA HIS 70 HA HIS 70 0.408 -3.931 -7.385 543 HB2 HIS 70 HB2 HIS 70 -1.220 -3.270 -5.871 544 HB3 HIS 70 HB3 HIS 70 -0.948 -1.552 -6.124 545 HD1 HIS 70 HD1 HIS 70 -2.753 -4.532 -7.771 546 HD2 HIS 70 HD2 HIS 70 -2.074 -0.408 -8.190 547 HE1 HIS 70 HE1 HIS 70 -4.426 -3.712 -9.470 548 H ALA 71 H ALA 71 1.023 -0.426 -7.942 549 HA ALA 71 HA ALA 71 0.089 -0.230 -10.553 550 HB1 ALA 71 HB1 ALA 71 1.564 1.701 -10.771 551 HB2 ALA 71 HB2 ALA 71 0.810 1.677 -9.167 552 HB3 ALA 71 HB3 ALA 71 2.509 1.170 -9.366 553 H LYS 72 H LYS 72 2.854 -2.099 -9.554 554 HA LYS 72 HA LYS 72 3.939 -2.117 -12.324 555 HB2 LYS 72 HB2 LYS 72 5.884 -3.200 -11.492 556 HB3 LYS 72 HB3 LYS 72 5.610 -1.701 -10.622 557 HG2 LYS 72 HG2 LYS 72 5.187 -2.701 -8.654 558 HG3 LYS 72 HG3 LYS 72 4.452 -4.147 -9.378 559 HD2 LYS 72 HD2 LYS 72 6.416 -5.254 -9.720 560 HD3 LYS 72 HD3 LYS 72 7.424 -3.811 -9.664 561 HE2 LYS 72 HE2 LYS 72 5.765 -4.472 -7.238 562 HE3 LYS 72 HE3 LYS 72 7.152 -5.518 -7.563 563 HZ1 LYS 72 HZ1 LYS 72 7.541 -3.412 -6.149 564 HZ2 LYS 72 HZ2 LYS 72 7.542 -2.610 -7.613 565 HZ3 LYS 72 HZ3 LYS 72 8.615 -3.787 -7.356 566 H HIS 73 H HIS 73 1.731 -3.891 -10.410 567 HA HIS 73 HA HIS 73 2.185 -6.336 -12.048 568 HB2 HIS 73 HB2 HIS 73 0.625 -6.121 -9.473 569 HB3 HIS 73 HB3 HIS 73 1.067 -7.584 -10.351 570 HD1 HIS 73 HD1 HIS 73 1.830 -6.596 -7.283 571 HD2 HIS 73 HD2 HIS 73 4.248 -7.065 -10.703 572 HE1 HIS 73 HE1 HIS 73 4.233 -6.887 -6.449 573 H CYS 74 H CYS 74 0.069 -3.651 -11.622 574 HA CYS 74 HA CYS 74 -2.390 -4.952 -12.286 575 HB2 CYS 74 HB2 CYS 74 -1.778 -2.514 -11.274 576 HB3 CYS 74 HB3 CYS 74 -2.000 -2.073 -13.008 577 H GLN 75 H GLN 75 -2.703 -5.953 -14.140 578 HA GLN 75 HA GLN 75 -1.014 -5.544 -16.463 579 HB2 GLN 75 HB2 GLN 75 -2.089 -7.735 -15.657 580 HB3 GLN 75 HB3 GLN 75 -3.603 -7.109 -16.354 581 HG2 GLN 75 HG2 GLN 75 -2.344 -6.829 -18.537 582 HG3 GLN 75 HG3 GLN 75 -0.970 -7.665 -17.789 583 HE21 GLN 75 HE21 GLN 75 -2.181 -8.621 -20.118 584 HE22 GLN 75 HE22 GLN 75 -3.117 -10.071 -19.781 585 H GLU 76 H GLU 76 -4.327 -4.693 -15.480 586 HA GLU 76 HA GLU 76 -5.190 -3.628 -17.980 587 HB2 GLU 76 HB2 GLU 76 -6.976 -2.564 -16.543 588 HB3 GLU 76 HB3 GLU 76 -6.926 -4.308 -16.628 589 HG2 GLU 76 HG2 GLU 76 -5.673 -2.866 -14.289 590 HG3 GLU 76 HG3 GLU 76 -7.409 -3.097 -14.373 591 H ASN 77 H ASN 77 -5.494 -1.395 -18.545 592 HA ASN 77 HA ASN 77 -3.439 0.453 -17.384 593 HB2 ASN 77 HB2 ASN 77 -4.538 0.277 -20.218 594 HB3 ASN 77 HB3 ASN 77 -3.534 1.591 -19.614 595 HD21 ASN 77 HD21 ASN 77 -2.390 0.728 -21.696 596 HD22 ASN 77 HD22 ASN 77 -1.130 -0.492 -21.376 597 H LYS 78 H LYS 78 -6.115 -0.035 -16.391 598 HA LYS 78 HA LYS 78 -7.144 2.607 -16.098 599 HB2 LYS 78 HB2 LYS 78 -9.414 2.211 -16.994 600 HB3 LYS 78 HB3 LYS 78 -8.170 2.296 -18.224 601 HG2 LYS 78 HG2 LYS 78 -8.209 -0.367 -18.062 602 HG3 LYS 78 HG3 LYS 78 -9.801 -0.087 -17.352 603 HD2 LYS 78 HD2 LYS 78 -8.832 0.907 -20.073 604 HD3 LYS 78 HD3 LYS 78 -9.875 -0.498 -19.796 605 HE2 LYS 78 HE2 LYS 78 -11.636 0.924 -18.857 606 HE3 LYS 78 HE3 LYS 78 -10.593 2.349 -18.985 607 HZ1 LYS 78 HZ1 LYS 78 -11.616 0.779 -21.267 608 HZ2 LYS 78 HZ2 LYS 78 -10.628 2.111 -21.381 609 HZ3 LYS 78 HZ3 LYS 78 -12.156 2.234 -20.796 610 H CYS 79 H CYS 79 -5.987 1.157 -14.257 611 HA CYS 79 HA CYS 79 -7.257 -0.895 -13.018 612 HB2 CYS 79 HB2 CYS 79 -5.763 1.204 -11.468 613 HB3 CYS 79 HB3 CYS 79 -5.753 -0.577 -11.363 614 HA PRO 80 HA PRO 80 -10.635 0.840 -10.703 615 HB2 PRO 80 HB2 PRO 80 -10.986 -0.980 -8.706 616 HB3 PRO 80 HB3 PRO 80 -11.226 -1.380 -10.433 617 HG2 PRO 80 HG2 PRO 80 -8.742 -1.850 -8.744 618 HG3 PRO 80 HG3 PRO 80 -9.599 -3.029 -9.798 619 HD2 PRO 80 HD2 PRO 80 -7.419 -1.677 -10.647 620 HD3 PRO 80 HD3 PRO 80 -8.776 -2.047 -11.748 621 H VAL 81 H VAL 81 -7.484 0.795 -9.060 622 HA VAL 81 HA VAL 81 -8.659 2.209 -6.748 623 HB VAL 81 HB VAL 81 -5.789 1.306 -7.063 624 HG11 VAL 81 HG11 VAL 81 -6.092 3.138 -5.473 625 HG12 VAL 81 HG12 VAL 81 -7.370 2.216 -4.642 626 HG13 VAL 81 HG13 VAL 81 -5.692 1.629 -4.649 627 HG21 VAL 81 HG21 VAL 81 -7.219 -0.707 -7.003 628 HG22 VAL 81 HG22 VAL 81 -6.464 -0.490 -5.426 629 HG23 VAL 81 HG23 VAL 81 -8.167 -0.029 -5.676 630 HA PRO 82 HA PRO 82 -7.648 5.857 -9.085 631 HB2 PRO 82 HB2 PRO 82 -7.910 7.785 -7.100 632 HB3 PRO 82 HB3 PRO 82 -9.258 7.022 -7.989 633 HG2 PRO 82 HG2 PRO 82 -8.244 6.382 -5.242 634 HG3 PRO 82 HG3 PRO 82 -9.931 6.449 -5.847 635 HD2 PRO 82 HD2 PRO 82 -8.491 4.125 -5.509 636 HD3 PRO 82 HD3 PRO 82 -9.785 4.258 -6.709 637 H PHE 83 H PHE 83 -5.964 5.099 -6.079 638 HA PHE 83 HA PHE 83 -3.824 7.015 -6.536 639 HB2 PHE 83 HB2 PHE 83 -4.364 4.843 -4.526 640 HB3 PHE 83 HB3 PHE 83 -2.733 5.453 -4.727 641 HD1 PHE 83 HD1 PHE 83 -5.725 7.751 -5.098 642 HD2 PHE 83 HD2 PHE 83 -2.529 6.331 -2.573 643 HE1 PHE 83 HE1 PHE 83 -6.111 9.623 -3.559 644 HE2 PHE 83 HE2 PHE 83 -2.911 8.248 -1.032 645 HZ PHE 83 HZ PHE 83 -4.737 9.843 -1.471 646 H CYS 84 H CYS 84 -4.422 3.700 -7.582 647 HA CYS 84 HA CYS 84 -1.715 2.901 -8.095 648 HB2 CYS 84 HB2 CYS 84 -3.543 1.297 -8.005 649 HB3 CYS 84 HB3 CYS 84 -4.458 2.206 -9.239 650 H LEU 85 H LEU 85 -4.293 4.033 -10.254 651 HA LEU 85 HA LEU 85 -2.612 4.505 -12.460 652 HB2 LEU 85 HB2 LEU 85 -4.506 5.652 -13.489 653 HB3 LEU 85 HB3 LEU 85 -4.904 4.108 -12.753 654 HG LEU 85 HG LEU 85 -5.619 5.673 -10.692 655 HD11 LEU 85 HD11 LEU 85 -4.876 7.749 -12.009 656 HD12 LEU 85 HD12 LEU 85 -6.552 7.781 -11.379 657 HD13 LEU 85 HD13 LEU 85 -6.226 7.436 -13.087 658 HD21 LEU 85 HD21 LEU 85 -7.085 4.100 -11.857 659 HD22 LEU 85 HD22 LEU 85 -7.348 5.286 -13.162 660 HD23 LEU 85 HD23 LEU 85 -7.893 5.629 -11.507 661 H ASN 86 H ASN 86 -3.469 6.661 -9.754 662 HA ASN 86 HA ASN 86 -2.352 9.068 -10.810 663 HB2 ASN 86 HB2 ASN 86 -3.717 9.065 -8.752 664 HB3 ASN 86 HB3 ASN 86 -2.566 7.975 -7.978 665 HD21 ASN 86 HD21 ASN 86 -1.996 11.152 -9.763 666 HD22 ASN 86 HD22 ASN 86 -1.331 11.887 -8.340 667 H ILE 87 H ILE 87 -0.842 6.335 -8.979 668 HA ILE 87 HA ILE 87 1.763 7.477 -8.810 669 HB ILE 87 HB ILE 87 0.622 4.694 -8.647 670 HG12 ILE 87 HG12 ILE 87 2.208 6.302 -6.626 671 HG13 ILE 87 HG13 ILE 87 0.482 6.584 -6.854 672 HG21 ILE 87 HG21 ILE 87 3.567 5.409 -8.641 673 HG22 ILE 87 HG22 ILE 87 2.914 3.923 -7.938 674 HG23 ILE 87 HG23 ILE 87 2.716 4.219 -9.666 675 HD11 ILE 87 HD11 ILE 87 1.784 4.037 -5.915 676 HD12 ILE 87 HD12 ILE 87 0.610 5.070 -5.083 677 HD13 ILE 87 HD13 ILE 87 0.090 4.103 -6.468 678 H LYS 88 H LYS 88 0.172 5.455 -11.335 679 HA LYS 88 HA LYS 88 2.530 5.251 -12.963 680 HB2 LYS 88 HB2 LYS 88 -0.074 4.196 -13.065 681 HB3 LYS 88 HB3 LYS 88 -0.064 5.361 -14.381 682 HG2 LYS 88 HG2 LYS 88 0.592 3.386 -15.397 683 HG3 LYS 88 HG3 LYS 88 2.100 4.287 -15.178 684 HD2 LYS 88 HD2 LYS 88 2.647 2.898 -13.193 685 HD3 LYS 88 HD3 LYS 88 1.081 2.099 -13.309 686 HE2 LYS 88 HE2 LYS 88 2.734 0.622 -14.260 687 HE3 LYS 88 HE3 LYS 88 1.654 1.180 -15.527 688 HZ1 LYS 88 HZ1 LYS 88 4.386 2.241 -15.062 689 HZ2 LYS 88 HZ2 LYS 88 3.376 2.731 -16.261 690 HZ3 LYS 88 HZ3 LYS 88 3.936 1.210 -16.248 691 H GLN 89 H GLN 89 -0.110 7.658 -12.830 692 HA GLN 89 HA GLN 89 0.724 9.209 -15.053 693 HB2 GLN 89 HB2 GLN 89 -0.959 9.870 -12.603 694 HB3 GLN 89 HB3 GLN 89 -0.645 11.029 -13.889 695 HG2 GLN 89 HG2 GLN 89 -1.592 9.438 -15.552 696 HG3 GLN 89 HG3 GLN 89 -1.961 8.312 -14.283 697 HE21 GLN 89 HE21 GLN 89 -3.015 11.149 -15.976 698 HE22 GLN 89 HE22 GLN 89 -4.409 11.518 -14.972 699 H LYS 90 H LYS 90 1.651 9.445 -11.573 700 HA LYS 90 HA LYS 90 3.294 11.807 -12.177 701 HB2 LYS 90 HB2 LYS 90 3.949 11.849 -9.899 702 HB3 LYS 90 HB3 LYS 90 2.213 11.532 -9.986 703 HG2 LYS 90 HG2 LYS 90 2.771 9.074 -9.719 704 HG3 LYS 90 HG3 LYS 90 4.444 9.528 -9.402 705 HD2 LYS 90 HD2 LYS 90 3.383 9.122 -7.325 706 HD3 LYS 90 HD3 LYS 90 3.641 10.873 -7.429 707 HE2 LYS 90 HE2 LYS 90 1.320 11.256 -7.956 708 HE3 LYS 90 HE3 LYS 90 1.031 9.540 -8.278 709 HZ1 LYS 90 HZ1 LYS 90 1.727 10.644 -5.628 710 HZ2 LYS 90 HZ2 LYS 90 1.346 9.092 -5.956 711 HZ3 LYS 90 HZ3 LYS 90 0.189 10.251 -6.138 712 H GLY 91 H GLY 91 3.904 8.288 -12.118 713 HA2 GLY 91 HA2 GLY 91 5.759 7.087 -12.656 714 HA3 GLY 91 HA3 GLY 91 6.284 8.501 -13.575 715 H GLY 92 H GLY 92 5.958 9.259 -10.273 716 HA2 GLY 92 HA2 GLY 92 7.487 8.903 -8.439 717 HA3 GLY 92 HA3 GLY 92 8.804 8.705 -9.581 718 H SER 93 H SER 93 6.711 11.253 -10.557 719 HA SER 93 HA SER 93 8.458 13.311 -10.527 720 HB2 SER 93 HB2 SER 93 6.109 13.055 -11.507 721 HB3 SER 93 HB3 SER 93 5.488 13.690 -9.985 722 HG SER 93 HG SER 93 5.954 15.028 -11.931 723 H GLY 94 H GLY 94 9.638 14.064 -8.925 724 HA2 GLY 94 HA2 GLY 94 9.523 15.672 -6.995 725 HA3 GLY 94 HA3 GLY 94 8.534 14.450 -6.182 726 H GLY 95 H GLY 95 10.323 12.371 -7.733 727 HA2 GLY 95 HA2 GLY 95 12.312 11.276 -7.539 728 HA3 GLY 95 HA3 GLY 95 12.960 12.557 -6.505 729 H GLY 96 H GLY 96 10.333 12.211 -4.818 730 HA2 GLY 96 HA2 GLY 96 9.727 11.096 -2.900 731 HA3 GLY 96 HA3 GLY 96 10.193 9.607 -3.733 732 H THR 97 H THR 97 12.428 12.284 -3.056 733 HA THR 97 HA THR 97 14.354 12.442 -2.079 734 HB THR 97 HB THR 97 12.408 12.245 -0.277 735 HG1 THR 97 HG1 THR 97 14.862 13.218 -0.327 736 HG21 THR 97 HG21 THR 97 14.442 10.393 0.960 737 HG22 THR 97 HG22 THR 97 12.840 9.890 0.395 738 HG23 THR 97 HG23 THR 97 12.984 11.066 1.708 739 H GLY 98 H GLY 98 13.877 9.768 -3.603 740 HA2 GLY 98 HA2 GLY 98 16.335 8.845 -4.009 741 HA3 GLY 98 HA3 GLY 98 15.987 8.056 -2.463 742 H GLY 99 H GLY 99 13.224 7.592 -2.744 743 HA2 GLY 99 HA2 GLY 99 11.607 6.579 -4.147 744 HA3 GLY 99 HA3 GLY 99 12.858 6.061 -5.261 745 H GLY 100 H GLY 100 14.061 5.088 -2.268 746 HA2 GLY 100 HA2 GLY 100 13.943 3.145 -1.050 747 HA3 GLY 100 HA3 GLY 100 12.312 2.874 -1.663 748 H SER 101 H SER 101 14.899 3.273 -3.978 749 HA SER 101 HA SER 101 14.447 0.724 -5.215 750 HB2 SER 101 HB2 SER 101 16.627 2.839 -5.536 751 HB3 SER 101 HB3 SER 101 16.343 1.501 -6.661 752 HG SER 101 HG SER 101 15.375 3.624 -7.138 753 H GLY 102 H GLY 102 16.682 -0.533 -5.849 754 HA2 GLY 102 HA2 GLY 102 18.882 -1.037 -4.664 755 HA3 GLY 102 HA3 GLY 102 17.886 -1.400 -3.259 756 H THR 103 H THR 103 15.869 -2.430 -5.626 757 HA THR 103 HA THR 103 16.195 -5.145 -5.201 758 HB THR 103 HB THR 103 15.035 -5.167 -7.621 759 HG1 THR 103 HG1 THR 103 15.726 -2.768 -7.658 760 HG21 THR 103 HG21 THR 103 13.730 -3.911 -5.187 761 HG22 THR 103 HG22 THR 103 13.850 -5.649 -5.569 762 HG23 THR 103 HG23 THR 103 12.894 -4.570 -6.609 763 H ILE 104 H ILE 104 17.542 -6.764 -5.995 764 HA ILE 104 HA ILE 104 18.995 -6.297 -8.544 765 HB ILE 104 HB ILE 104 20.115 -7.461 -6.031 766 HG12 ILE 104 HG12 ILE 104 20.992 -5.010 -7.644 767 HG13 ILE 104 HG13 ILE 104 20.152 -4.961 -6.097 768 HG21 ILE 104 HG21 ILE 104 21.379 -7.256 -8.799 769 HG22 ILE 104 HG22 ILE 104 22.171 -7.923 -7.356 770 HG23 ILE 104 HG23 ILE 104 20.788 -8.745 -8.075 771 HD11 ILE 104 HD11 ILE 104 22.110 -6.174 -5.050 772 HD12 ILE 104 HD12 ILE 104 22.986 -5.898 -6.580 773 HD13 ILE 104 HD13 ILE 104 22.430 -4.523 -5.618 774 H GLU 105 H GLU 105 17.623 -7.442 -9.493 775 HA GLU 105 HA GLU 105 16.194 -9.202 -10.184 776 HB2 GLU 105 HB2 GLU 105 18.915 -10.383 -9.657 777 HB3 GLU 105 HB3 GLU 105 17.658 -11.274 -10.527 778 HG2 GLU 105 HG2 GLU 105 18.468 -8.474 -11.380 779 HG3 GLU 105 HG3 GLU 105 19.382 -9.898 -11.894 780 H GLY 106 H GLY 106 15.365 -8.736 -7.722 781 HA2 GLY 106 HA2 GLY 106 13.893 -9.765 -6.196 782 HA3 GLY 106 HA3 GLY 106 14.369 -11.338 -6.832 783 H ARG 107 H ARG 107 17.294 -10.250 -6.175 784 HA ARG 107 HA ARG 107 17.581 -11.551 -3.562 785 HB2 ARG 107 HB2 ARG 107 18.994 -11.853 -5.658 786 HB3 ARG 107 HB3 ARG 107 19.662 -10.246 -5.344 787 HG2 ARG 107 HG2 ARG 107 20.643 -10.912 -3.300 788 HG3 ARG 107 HG3 ARG 107 19.804 -12.483 -3.300 789 HD2 ARG 107 HD2 ARG 107 21.724 -11.550 -5.451 790 HD3 ARG 107 HD3 ARG 107 22.236 -12.486 -4.042 791 HE ARG 107 HE ARG 107 20.477 -13.390 -6.285 792 HH11 ARG 107 HH11 ARG 107 22.245 -14.320 -3.307 793 HH12 ARG 107 HH12 ARG 107 22.168 -16.001 -3.666 794 HH21 ARG 107 HH21 ARG 107 20.162 -15.476 -6.594 795 HH22 ARG 107 HH22 ARG 107 20.779 -16.735 -5.556 796 H GLY 108 H GLY 108 19.234 -10.274 -2.038 797 HA2 GLY 108 HA2 GLY 108 20.032 -8.185 -1.260 798 HA3 GLY 108 HA3 GLY 108 18.683 -7.346 -2.008 799 H ASP 109 H ASP 109 18.317 -10.295 0.008 800 HA ASP 109 HA ASP 109 17.073 -10.697 1.848 801 HB2 ASP 109 HB2 ASP 109 19.089 -10.004 2.935 802 HB3 ASP 109 HB3 ASP 109 18.605 -8.303 2.848 803 H GLY 110 H GLY 110 15.338 -10.196 0.418 804 HA2 GLY 110 HA2 GLY 110 13.083 -9.625 0.480 805 HA3 GLY 110 HA3 GLY 110 13.424 -8.281 1.596 806 H GLY 111 H GLY 111 15.590 -7.023 0.194 807 HA2 GLY 111 HA2 GLY 111 15.955 -5.455 -1.455 808 HA3 GLY 111 HA3 GLY 111 15.157 -6.563 -2.596 809 H THR 112 H THR 112 13.905 -5.085 0.383 810 HA THR 112 HA THR 112 11.892 -3.440 -1.010 811 HB THR 112 HB THR 112 10.320 -4.367 0.861 812 HG1 THR 112 HG1 THR 112 11.731 -5.627 2.050 813 HG21 THR 112 HG21 THR 112 9.707 -6.390 -0.529 814 HG22 THR 112 HG22 THR 112 11.104 -6.022 -1.538 815 HG23 THR 112 HG23 THR 112 9.789 -4.838 -1.382 816 H THR 113 H THR 113 14.396 -2.611 0.131 817 HA THR 113 HA THR 113 14.432 -2.030 2.782 818 HB THR 113 HB THR 113 16.197 -1.606 1.021 819 HG1 THR 113 HG1 THR 113 15.680 -0.207 3.351 820 HG21 THR 113 HG21 THR 113 15.117 1.247 1.049 821 HG22 THR 113 HG22 THR 113 14.872 0.129 -0.307 822 HG23 THR 113 HG23 THR 113 16.512 0.612 0.160 823 H PHE 114 H PHE 114 12.311 -0.383 0.519 824 HA PHE 114 HA PHE 114 11.690 1.942 1.916 825 HB2 PHE 114 HB2 PHE 114 9.912 2.157 0.514 826 HB3 PHE 114 HB3 PHE 114 10.859 1.009 -0.413 827 HD1 PHE 114 HD1 PHE 114 7.725 1.698 1.211 828 HD2 PHE 114 HD2 PHE 114 10.219 -1.547 -0.133 829 HE1 PHE 114 HE1 PHE 114 5.755 0.204 1.171 830 HE2 PHE 114 HE2 PHE 114 8.270 -3.076 -0.042 831 HZ PHE 114 HZ PHE 114 6.033 -2.215 0.577 832 H GLU 115 H GLU 115 10.979 -1.371 2.824 833 HA GLU 115 HA GLU 115 8.710 -1.044 4.438 834 HB2 GLU 115 HB2 GLU 115 9.306 -3.146 5.405 835 HB3 GLU 115 HB3 GLU 115 9.648 -3.179 3.675 836 HG2 GLU 115 HG2 GLU 115 12.122 -2.739 4.329 837 HG3 GLU 115 HG3 GLU 115 11.616 -3.085 5.975 838 H HIS 116 H HIS 116 12.023 -0.002 4.963 839 HA HIS 116 HA HIS 116 11.997 0.234 7.769 840 HB2 HIS 116 HB2 HIS 116 14.015 1.167 7.535 841 HB3 HIS 116 HB3 HIS 116 13.915 0.519 5.929 842 HD1 HIS 116 HD1 HIS 116 13.875 3.810 7.826 843 HD2 HIS 116 HD2 HIS 116 13.666 2.378 3.875 844 HE1 HIS 116 HE1 HIS 116 14.426 5.793 6.302 845 H LEU 117 H LEU 117 10.074 1.991 5.542 846 HA LEU 117 HA LEU 117 9.881 4.453 7.156 847 HB2 LEU 117 HB2 LEU 117 8.621 3.427 4.610 848 HB3 LEU 117 HB3 LEU 117 7.814 4.695 5.509 849 HG LEU 117 HG LEU 117 10.080 5.968 5.369 850 HD11 LEU 117 HD11 LEU 117 11.464 5.403 3.407 851 HD12 LEU 117 HD12 LEU 117 10.429 4.001 3.053 852 HD13 LEU 117 HD13 LEU 117 11.410 4.037 4.527 853 HD21 LEU 117 HD21 LEU 117 8.047 6.637 4.154 854 HD22 LEU 117 HD22 LEU 117 8.391 5.455 2.876 855 HD23 LEU 117 HD23 LEU 117 9.476 6.847 3.128 856 H TRP 118 H TRP 118 8.323 1.252 7.142 857 HA TRP 118 HA TRP 118 5.768 2.061 8.036 858 HB2 TRP 118 HB2 TRP 118 7.291 -0.477 8.675 859 HB3 TRP 118 HB3 TRP 118 5.564 -0.234 8.929 860 HD1 TRP 118 HD1 TRP 118 7.498 -2.095 6.836 861 HE1 TRP 118 HE1 TRP 118 6.480 -2.520 4.502 862 HE3 TRP 118 HE3 TRP 118 3.972 1.565 6.859 863 HZ2 TRP 118 HZ2 TRP 118 4.699 -1.070 2.707 864 HZ3 TRP 118 HZ3 TRP 118 2.509 1.907 4.891 865 HH2 TRP 118 HH2 TRP 118 2.955 0.724 2.769 866 H SER 119 H SER 119 8.790 1.845 9.889 867 HA SER 119 HA SER 119 7.574 1.812 12.442 868 HB2 SER 119 HB2 SER 119 9.778 2.759 13.179 869 HB3 SER 119 HB3 SER 119 9.893 1.296 12.177 870 HG SER 119 HG SER 119 11.116 3.492 11.765 871 H SER 120 H SER 120 7.798 4.429 10.121 872 HA SER 120 HA SER 120 7.446 6.597 12.048 873 HB2 SER 120 HB2 SER 120 7.047 6.591 9.063 874 HB3 SER 120 HB3 SER 120 7.424 7.981 10.064 875 HG SER 120 HG SER 120 9.060 6.692 8.711 876 H LEU 121 H LEU 121 5.335 4.201 11.023 877 HA LEU 121 HA LEU 121 3.013 5.896 10.428 878 HB2 LEU 121 HB2 LEU 121 3.622 3.622 9.348 879 HB3 LEU 121 HB3 LEU 121 3.132 2.883 10.870 880 HG LEU 121 HG LEU 121 0.826 3.619 10.539 881 HD11 LEU 121 HD11 LEU 121 0.202 4.767 8.346 882 HD12 LEU 121 HD12 LEU 121 1.927 5.125 8.127 883 HD13 LEU 121 HD13 LEU 121 1.030 5.787 9.514 884 HD21 LEU 121 HD21 LEU 121 1.558 1.550 9.421 885 HD22 LEU 121 HD22 LEU 121 2.017 2.472 7.975 886 HD23 LEU 121 HD23 LEU 121 0.315 2.379 8.468 887 H GLU 122 H GLU 122 0.954 4.872 11.912 888 HA GLU 122 HA GLU 122 1.622 5.888 14.565 889 HB2 GLU 122 HB2 GLU 122 -0.943 4.596 13.563 890 HB3 GLU 122 HB3 GLU 122 -0.746 5.469 15.083 891 HG2 GLU 122 HG2 GLU 122 -0.410 6.712 12.307 892 HG3 GLU 122 HG3 GLU 122 -1.897 6.728 13.227 893 HA PRO 123 HA PRO 123 2.991 1.733 15.643 894 HB2 PRO 123 HB2 PRO 123 3.437 2.016 18.347 895 HB3 PRO 123 HB3 PRO 123 4.498 2.652 17.066 896 HG2 PRO 123 HG2 PRO 123 2.300 4.134 18.553 897 HG3 PRO 123 HG3 PRO 123 3.997 4.653 18.290 898 HD2 PRO 123 HD2 PRO 123 2.009 5.532 16.687 899 HD3 PRO 123 HD3 PRO 123 3.598 5.090 15.988 900 H ASP 124 H ASP 124 -0.045 2.859 16.238 901 HA ASP 124 HA ASP 124 -0.980 0.854 18.163 902 HB2 ASP 124 HB2 ASP 124 -2.323 2.935 16.413 903 HB3 ASP 124 HB3 ASP 124 -3.266 1.663 17.184 904 H SER 125 H SER 125 -0.412 1.034 14.688 905 HA SER 125 HA SER 125 -0.909 -0.322 12.946 906 HB2 SER 125 HB2 SER 125 -0.569 -2.480 15.048 907 HB3 SER 125 HB3 SER 125 -0.302 -2.643 13.304 908 HG SER 125 HG SER 125 1.186 -1.265 15.232 909 H THR 126 H THR 126 -3.326 0.411 14.736 910 HA THR 126 HA THR 126 -5.188 -1.658 14.533 911 HB THR 126 HB THR 126 -5.314 0.341 15.973 912 HG1 THR 126 HG1 THR 126 -7.127 -0.627 16.037 913 HG21 THR 126 HG21 THR 126 -4.839 2.134 14.321 914 HG22 THR 126 HG22 THR 126 -6.323 2.405 15.239 915 HG23 THR 126 HG23 THR 126 -6.432 1.818 13.571 916 H TYR 127 H TYR 127 -3.965 0.360 11.964 917 HA TYR 127 HA TYR 127 -5.953 -0.873 10.126 918 HB2 TYR 127 HB2 TYR 127 -5.748 1.113 8.766 919 HB3 TYR 127 HB3 TYR 127 -6.449 1.404 10.351 920 HD1 TYR 127 HD1 TYR 127 -3.677 1.973 8.130 921 HD2 TYR 127 HD2 TYR 127 -5.204 2.797 12.033 922 HE1 TYR 127 HE1 TYR 127 -1.856 3.676 8.474 923 HE2 TYR 127 HE2 TYR 127 -3.456 4.488 12.413 924 HH TYR 127 HH TYR 127 -1.655 5.601 11.489 925 H PHE 128 H PHE 128 -2.408 -0.535 10.619 926 HA PHE 128 HA PHE 128 -2.074 -2.164 8.194 927 HB2 PHE 128 HB2 PHE 128 -0.768 0.389 8.926 928 HB3 PHE 128 HB3 PHE 128 0.301 -0.853 8.309 929 HD1 PHE 128 HD1 PHE 128 -0.385 -2.153 6.157 930 HD2 PHE 128 HD2 PHE 128 -1.879 1.652 7.359 931 HE1 PHE 128 HE1 PHE 128 -1.071 -1.709 3.822 932 HE2 PHE 128 HE2 PHE 128 -2.694 2.098 5.016 933 HZ PHE 128 HZ PHE 128 -2.240 0.428 3.256 934 H ASP 129 H ASP 129 0.403 -2.986 8.232 935 HA ASP 129 HA ASP 129 0.735 -4.550 10.683 936 HB2 ASP 129 HB2 ASP 129 1.800 -6.197 9.255 937 HB3 ASP 129 HB3 ASP 129 0.120 -5.947 8.804 938 H LEU 130 H LEU 130 2.300 -3.602 11.854 939 HA LEU 130 HA LEU 130 4.178 -1.677 10.982 940 HB2 LEU 130 HB2 LEU 130 3.356 -2.017 13.288 941 HB3 LEU 130 HB3 LEU 130 4.292 -3.497 13.435 942 HG LEU 130 HG LEU 130 5.713 -0.917 12.701 943 HD11 LEU 130 HD11 LEU 130 4.262 -0.281 14.571 944 HD12 LEU 130 HD12 LEU 130 5.941 -0.367 15.108 945 HD13 LEU 130 HD13 LEU 130 4.811 -1.687 15.512 946 HD21 LEU 130 HD21 LEU 130 7.535 -1.883 14.065 947 HD22 LEU 130 HD22 LEU 130 7.046 -3.042 12.830 948 HD23 LEU 130 HD23 LEU 130 6.509 -3.258 14.499 Start of MODEL 8 1 H1 ALA 1 H ALA 1 6.549 -30.128 -3.868 2 HA ALA 1 HA ALA 1 8.814 -29.604 -2.992 3 HB1 ALA 1 HB1 ALA 1 6.818 -27.301 -3.042 4 HB2 ALA 1 HB2 ALA 1 8.585 -27.139 -3.159 5 HB3 ALA 1 HB3 ALA 1 7.694 -27.973 -4.443 6 H THR 2 H THR 2 9.941 -28.119 -1.345 7 HA THR 2 HA THR 2 9.218 -28.969 1.304 8 HB THR 2 HB THR 2 11.187 -27.376 1.818 9 HG1 THR 2 HG1 THR 2 12.378 -26.963 -0.250 10 HG21 THR 2 HG21 THR 2 11.702 -29.545 -0.278 11 HG22 THR 2 HG22 THR 2 11.448 -29.843 1.458 12 HG23 THR 2 HG23 THR 2 12.853 -28.916 0.922 13 H GLN 3 H GLN 3 9.032 -27.208 3.101 14 HA GLN 3 HA GLN 3 7.578 -24.801 2.191 15 HB2 GLN 3 HB2 GLN 3 6.003 -26.790 2.593 16 HB3 GLN 3 HB3 GLN 3 6.475 -26.725 4.282 17 HG2 GLN 3 HG2 GLN 3 5.774 -24.200 4.144 18 HG3 GLN 3 HG3 GLN 3 4.967 -24.660 2.640 19 HE21 GLN 3 HE21 GLN 3 3.557 -26.832 2.942 20 HE22 GLN 3 HE22 GLN 3 2.570 -26.852 4.388 21 H SER 4 H SER 4 9.659 -23.874 2.812 22 HA SER 4 HA SER 4 10.045 -23.679 5.761 23 HB2 SER 4 HB2 SER 4 11.665 -25.119 4.587 24 HB3 SER 4 HB3 SER 4 12.020 -23.821 3.449 25 HG SER 4 HG SER 4 12.707 -24.039 6.175 26 HA PRO 5 HA PRO 5 9.630 -19.304 4.787 27 HB2 PRO 5 HB2 PRO 5 10.518 -18.129 7.063 28 HB3 PRO 5 HB3 PRO 5 9.050 -19.148 7.039 29 HG2 PRO 5 HG2 PRO 5 11.852 -19.942 7.894 30 HG3 PRO 5 HG3 PRO 5 10.304 -20.259 8.730 31 HD2 PRO 5 HD2 PRO 5 11.596 -22.048 7.051 32 HD3 PRO 5 HD3 PRO 5 9.830 -22.049 7.322 33 H GLY 6 H GLY 6 11.026 -17.220 4.694 34 HA2 GLY 6 HA2 GLY 6 13.730 -16.927 5.004 35 HA3 GLY 6 HA3 GLY 6 13.602 -17.754 3.448 36 H ASP 7 H ASP 7 11.916 -16.760 1.915 37 HA ASP 7 HA ASP 7 12.299 -13.863 1.700 38 HB2 ASP 7 HB2 ASP 7 11.358 -14.023 -0.480 39 HB3 ASP 7 HB3 ASP 7 12.553 -15.306 -0.288 40 H SER 8 H SER 8 10.798 -14.834 3.889 41 HA SER 8 HA SER 8 8.057 -14.819 3.750 42 HB2 SER 8 HB2 SER 8 8.467 -13.907 6.233 43 HB3 SER 8 HB3 SER 8 8.972 -15.543 5.759 44 HG SER 8 HG SER 8 10.734 -14.698 6.692 45 H ARG 9 H ARG 9 10.286 -12.076 4.064 46 HA ARG 9 HA ARG 9 8.449 -9.963 4.386 47 HB2 ARG 9 HB2 ARG 9 11.015 -10.082 2.750 48 HB3 ARG 9 HB3 ARG 9 10.133 -8.592 3.127 49 HG2 ARG 9 HG2 ARG 9 10.651 -8.708 5.433 50 HG3 ARG 9 HG3 ARG 9 11.348 -10.346 5.284 51 HD2 ARG 9 HD2 ARG 9 13.161 -9.589 3.934 52 HD3 ARG 9 HD3 ARG 9 12.335 -8.093 3.501 53 HE ARG 9 HE ARG 9 12.857 -7.066 5.406 54 HH11 ARG 9 HH11 ARG 9 13.969 -10.442 5.735 55 HH12 ARG 9 HH12 ARG 9 15.299 -10.041 6.752 56 HH21 ARG 9 HH21 ARG 9 14.376 -6.655 7.018 57 HH22 ARG 9 HH22 ARG 9 15.595 -7.820 7.485 58 H ARG 10 H ARG 10 9.642 -11.466 1.309 59 HA ARG 10 HA ARG 10 8.240 -9.687 -0.408 60 HB2 ARG 10 HB2 ARG 10 9.144 -12.564 -0.870 61 HB3 ARG 10 HB3 ARG 10 8.449 -11.544 -2.118 62 HG2 ARG 10 HG2 ARG 10 10.968 -10.732 -0.620 63 HG3 ARG 10 HG3 ARG 10 10.992 -11.735 -2.072 64 HD2 ARG 10 HD2 ARG 10 9.779 -10.044 -3.338 65 HD3 ARG 10 HD3 ARG 10 9.706 -8.981 -1.919 66 HE ARG 10 HE ARG 10 12.417 -9.545 -2.368 67 HH11 ARG 10 HH11 ARG 10 9.839 -8.069 -4.392 68 HH12 ARG 10 HH12 ARG 10 10.813 -6.661 -4.717 69 HH21 ARG 10 HH21 ARG 10 13.735 -7.798 -3.129 70 HH22 ARG 10 HH22 ARG 10 13.100 -6.743 -4.360 71 H LEU 11 H LEU 11 7.221 -12.802 1.107 72 HA LEU 11 HA LEU 11 4.661 -12.858 -0.198 73 HB2 LEU 11 HB2 LEU 11 5.939 -14.264 2.160 74 HB3 LEU 11 HB3 LEU 11 4.187 -14.311 1.954 75 HG LEU 11 HG LEU 11 4.471 -15.108 -0.368 76 HD11 LEU 11 HD11 LEU 11 6.575 -16.095 -1.135 77 HD12 LEU 11 HD12 LEU 11 7.418 -15.453 0.309 78 HD13 LEU 11 HD13 LEU 11 6.746 -14.367 -0.922 79 HD21 LEU 11 HD21 LEU 11 4.097 -16.623 1.589 80 HD22 LEU 11 HD22 LEU 11 5.847 -16.884 1.691 81 HD23 LEU 11 HD23 LEU 11 4.946 -17.398 0.238 82 H SER 12 H SER 12 5.721 -11.653 2.997 83 HA SER 12 HA SER 12 3.319 -10.791 4.047 84 HB2 SER 12 HB2 SER 12 5.576 -10.988 5.123 85 HB3 SER 12 HB3 SER 12 6.072 -9.509 4.285 86 HG SER 12 HG SER 12 4.191 -9.859 6.354 87 H ILE 13 H ILE 13 5.563 -8.927 1.963 88 HA ILE 13 HA ILE 13 4.010 -6.561 1.776 89 HB ILE 13 HB ILE 13 6.178 -7.840 0.060 90 HG12 ILE 13 HG12 ILE 13 6.238 -5.380 1.856 91 HG13 ILE 13 HG13 ILE 13 6.703 -6.993 2.378 92 HG21 ILE 13 HG21 ILE 13 4.835 -5.144 -0.378 93 HG22 ILE 13 HG22 ILE 13 6.403 -5.578 -1.088 94 HG23 ILE 13 HG23 ILE 13 5.012 -6.517 -1.513 95 HD11 ILE 13 HD11 ILE 13 8.419 -7.061 0.550 96 HD12 ILE 13 HD12 ILE 13 8.074 -5.358 0.207 97 HD13 ILE 13 HD13 ILE 13 8.725 -5.816 1.784 98 H GLN 14 H GLN 14 4.210 -9.445 -0.384 99 HA GLN 14 HA GLN 14 2.348 -8.562 -2.331 100 HB2 GLN 14 HB2 GLN 14 3.237 -11.312 -1.438 101 HB3 GLN 14 HB3 GLN 14 2.055 -11.081 -2.726 102 HG2 GLN 14 HG2 GLN 14 3.595 -9.765 -4.040 103 HG3 GLN 14 HG3 GLN 14 4.793 -9.722 -2.754 104 HE21 GLN 14 HE21 GLN 14 5.665 -11.809 -2.041 105 HE22 GLN 14 HE22 GLN 14 5.768 -13.193 -3.138 106 H ARG 15 H ARG 15 1.684 -10.557 0.618 107 HA ARG 15 HA ARG 15 -1.120 -10.775 0.093 108 HB2 ARG 15 HB2 ARG 15 0.464 -10.797 2.670 109 HB3 ARG 15 HB3 ARG 15 -1.268 -11.115 2.632 110 HG2 ARG 15 HG2 ARG 15 0.979 -12.739 1.366 111 HG3 ARG 15 HG3 ARG 15 0.098 -13.135 2.839 112 HD2 ARG 15 HD2 ARG 15 -1.104 -12.867 0.111 113 HD3 ARG 15 HD3 ARG 15 -0.620 -14.406 0.862 114 HE ARG 15 HE ARG 15 -2.511 -12.875 2.481 115 HH11 ARG 15 HH11 ARG 15 -2.207 -15.539 0.173 116 HH12 ARG 15 HH12 ARG 15 -3.849 -16.029 0.341 117 HH21 ARG 15 HH21 ARG 15 -4.710 -13.257 2.382 118 HH22 ARG 15 HH22 ARG 15 -5.339 -14.729 1.743 119 H ALA 16 H ALA 16 0.762 -8.253 1.849 120 HA ALA 16 HA ALA 16 -1.465 -6.732 2.664 121 HB1 ALA 16 HB1 ALA 16 0.090 -4.860 2.873 122 HB2 ALA 16 HB2 ALA 16 0.871 -6.354 3.430 123 HB3 ALA 16 HB3 ALA 16 1.288 -5.668 1.856 124 H ILE 17 H ILE 17 0.541 -6.359 -0.284 125 HA ILE 17 HA ILE 17 -0.805 -4.257 -1.516 126 HB ILE 17 HB ILE 17 0.615 -6.675 -2.707 127 HG12 ILE 17 HG12 ILE 17 1.665 -3.828 -2.653 128 HG13 ILE 17 HG13 ILE 17 1.845 -4.844 -1.231 129 HG21 ILE 17 HG21 ILE 17 -0.856 -5.645 -4.461 130 HG22 ILE 17 HG22 ILE 17 -0.090 -4.080 -4.100 131 HG23 ILE 17 HG23 ILE 17 0.851 -5.397 -4.816 132 HD11 ILE 17 HD11 ILE 17 3.061 -6.525 -2.512 133 HD12 ILE 17 HD12 ILE 17 2.845 -5.619 -3.999 134 HD13 ILE 17 HD13 ILE 17 3.816 -4.921 -2.686 135 H GLN 18 H GLN 18 -1.420 -7.782 -1.931 136 HA GLN 18 HA GLN 18 -3.648 -7.437 -3.664 137 HB2 GLN 18 HB2 GLN 18 -2.758 -9.801 -1.990 138 HB3 GLN 18 HB3 GLN 18 -4.146 -9.814 -3.090 139 HG2 GLN 18 HG2 GLN 18 -2.478 -8.877 -4.886 140 HG3 GLN 18 HG3 GLN 18 -1.212 -9.444 -3.795 141 HE21 GLN 18 HE21 GLN 18 -4.173 -10.473 -5.588 142 HE22 GLN 18 HE22 GLN 18 -3.635 -12.127 -5.819 143 H SER 19 H SER 19 -3.464 -7.447 -0.122 144 HA SER 19 HA SER 19 -6.339 -7.770 0.229 145 HB2 SER 19 HB2 SER 19 -4.278 -6.594 2.144 146 HB3 SER 19 HB3 SER 19 -5.901 -7.174 2.550 147 HG SER 19 HG SER 19 -3.680 -8.685 1.600 148 H LEU 20 H LEU 20 -4.050 -5.034 -0.117 149 HA LEU 20 HA LEU 20 -5.966 -3.036 0.625 150 HB2 LEU 20 HB2 LEU 20 -3.265 -3.040 0.424 151 HB3 LEU 20 HB3 LEU 20 -3.627 -2.316 -1.130 152 HG LEU 20 HG LEU 20 -4.832 -1.329 1.491 153 HD11 LEU 20 HD11 LEU 20 -3.126 0.398 1.548 154 HD12 LEU 20 HD12 LEU 20 -2.360 -0.271 0.081 155 HD13 LEU 20 HD13 LEU 20 -2.378 -1.192 1.599 156 HD21 LEU 20 HD21 LEU 20 -5.186 0.764 0.257 157 HD22 LEU 20 HD22 LEU 20 -6.089 -0.572 -0.426 158 HD23 LEU 20 HD23 LEU 20 -4.604 -0.024 -1.234 159 H VAL 21 H VAL 21 -4.611 -4.004 -2.607 160 HA VAL 21 HA VAL 21 -6.247 -2.321 -4.132 161 HB VAL 21 HB VAL 21 -4.318 -3.570 -5.024 162 HG11 VAL 21 HG11 VAL 21 -4.384 -5.870 -5.651 163 HG12 VAL 21 HG12 VAL 21 -4.883 -5.777 -3.955 164 HG13 VAL 21 HG13 VAL 21 -6.096 -6.032 -5.214 165 HG21 VAL 21 HG21 VAL 21 -6.956 -3.930 -6.504 166 HG22 VAL 21 HG22 VAL 21 -5.748 -2.637 -6.695 167 HG23 VAL 21 HG23 VAL 21 -5.397 -4.293 -7.216 168 H HIS 22 H HIS 22 -6.980 -5.549 -2.772 169 HA HIS 22 HA HIS 22 -9.526 -5.811 -3.996 170 HB2 HIS 22 HB2 HIS 22 -8.446 -7.770 -3.169 171 HB3 HIS 22 HB3 HIS 22 -8.155 -7.034 -1.586 172 HD1 HIS 22 HD1 HIS 22 -11.302 -8.094 -3.616 173 HD2 HIS 22 HD2 HIS 22 -9.853 -7.365 0.287 174 HE1 HIS 22 HE1 HIS 22 -13.266 -8.452 -2.006 175 H ALA 23 H ALA 23 -8.622 -4.701 -0.633 176 HA ALA 23 HA ALA 23 -11.246 -4.181 0.230 177 HB1 ALA 23 HB1 ALA 23 -9.424 -4.284 1.826 178 HB2 ALA 23 HB2 ALA 23 -8.623 -2.884 1.067 179 HB3 ALA 23 HB3 ALA 23 -10.146 -2.679 1.945 180 H ALA 24 H ALA 24 -9.135 -2.212 -1.811 181 HA ALA 24 HA ALA 24 -10.425 0.283 -1.467 182 HB1 ALA 24 HB1 ALA 24 -9.263 0.849 -3.652 183 HB2 ALA 24 HB2 ALA 24 -8.183 0.025 -2.501 184 HB3 ALA 24 HB3 ALA 24 -8.901 -0.861 -3.858 185 H GLN 25 H GLN 25 -11.384 -2.511 -3.269 186 HA GLN 25 HA GLN 25 -13.645 -1.114 -4.591 187 HB2 GLN 25 HB2 GLN 25 -13.294 -2.649 -6.495 188 HB3 GLN 25 HB3 GLN 25 -11.891 -1.626 -6.198 189 HG2 GLN 25 HG2 GLN 25 -10.832 -3.514 -4.928 190 HG3 GLN 25 HG3 GLN 25 -12.195 -4.510 -5.293 191 HE21 GLN 25 HE21 GLN 25 -9.198 -3.236 -6.329 192 HE22 GLN 25 HE22 GLN 25 -9.111 -3.893 -7.956 193 H CYS 26 H CYS 26 -13.011 -3.159 -2.123 194 HA CYS 26 HA CYS 26 -14.621 -5.442 -2.563 195 HB2 CYS 26 HB2 CYS 26 -12.817 -5.368 -0.971 196 HB3 CYS 26 HB3 CYS 26 -13.654 -4.128 -0.032 197 H ARG 27 H ARG 27 -16.614 -4.724 -3.478 198 HA ARG 27 HA ARG 27 -18.497 -3.355 -1.622 199 HB2 ARG 27 HB2 ARG 27 -18.810 -4.219 -4.531 200 HB3 ARG 27 HB3 ARG 27 -20.050 -3.411 -3.581 201 HG2 ARG 27 HG2 ARG 27 -18.627 -1.429 -3.281 202 HG3 ARG 27 HG3 ARG 27 -17.294 -2.229 -4.109 203 HD2 ARG 27 HD2 ARG 27 -18.201 -0.768 -5.675 204 HD3 ARG 27 HD3 ARG 27 -18.737 -2.373 -6.183 205 HE ARG 27 HE ARG 27 -20.837 -1.495 -4.658 206 HH11 ARG 27 HH11 ARG 27 -19.129 0.006 -7.398 207 HH12 ARG 27 HH12 ARG 27 -20.521 0.893 -7.943 208 HH21 ARG 27 HH21 ARG 27 -22.590 -0.416 -5.336 209 HH22 ARG 27 HH22 ARG 27 -22.684 0.503 -6.795 210 H ASN 28 H ASN 28 -17.526 -6.545 -2.513 211 HA ASN 28 HA ASN 28 -19.911 -8.012 -2.232 212 HB2 ASN 28 HB2 ASN 28 -17.009 -8.751 -1.713 213 HB3 ASN 28 HB3 ASN 28 -18.323 -9.891 -1.479 214 HD21 ASN 28 HD21 ASN 28 -16.356 -10.521 -3.254 215 HD22 ASN 28 HD22 ASN 28 -16.961 -10.439 -4.900 216 H ALA 29 H ALA 29 -21.237 -7.957 -0.466 217 HA ALA 29 HA ALA 29 -20.353 -7.209 2.170 218 HB1 ALA 29 HB1 ALA 29 -22.605 -7.860 2.857 219 HB2 ALA 29 HB2 ALA 29 -22.683 -6.961 1.336 220 HB3 ALA 29 HB3 ALA 29 -22.860 -8.733 1.330 221 H ASN 30 H ASN 30 -20.309 -10.209 0.467 222 HA ASN 30 HA ASN 30 -20.312 -12.083 2.667 223 HB2 ASN 30 HB2 ASN 30 -20.846 -12.730 0.358 224 HB3 ASN 30 HB3 ASN 30 -19.256 -12.205 -0.189 225 HD21 ASN 30 HD21 ASN 30 -18.224 -14.035 -0.784 226 HD22 ASN 30 HD22 ASN 30 -18.049 -15.480 0.191 227 H CYS 31 H CYS 31 -17.828 -10.048 1.157 228 HA CYS 31 HA CYS 31 -15.603 -11.624 1.952 229 HB2 CYS 31 HB2 CYS 31 -15.608 -9.765 0.197 230 HB3 CYS 31 HB3 CYS 31 -15.567 -8.633 1.559 231 H SER 32 H SER 32 -14.795 -11.986 3.811 232 HA SER 32 HA SER 32 -14.741 -9.987 5.951 233 HB2 SER 32 HB2 SER 32 -16.858 -11.571 6.148 234 HB3 SER 32 HB3 SER 32 -15.665 -12.753 6.743 235 HG SER 32 HG SER 32 -16.184 -11.621 8.549 236 H LEU 33 H LEU 33 -12.608 -9.848 5.928 237 HA LEU 33 HA LEU 33 -10.884 -12.240 6.212 238 HB2 LEU 33 HB2 LEU 33 -10.915 -10.344 3.967 239 HB3 LEU 33 HB3 LEU 33 -9.404 -10.226 4.859 240 HG LEU 33 HG LEU 33 -9.213 -12.785 4.536 241 HD11 LEU 33 HD11 LEU 33 -11.539 -13.169 3.814 242 HD12 LEU 33 HD12 LEU 33 -10.402 -13.635 2.540 243 HD13 LEU 33 HD13 LEU 33 -11.296 -12.105 2.403 244 HD21 LEU 33 HD21 LEU 33 -7.771 -11.202 3.378 245 HD22 LEU 33 HD22 LEU 33 -9.069 -10.786 2.235 246 HD23 LEU 33 HD23 LEU 33 -8.332 -12.392 2.199 247 HA PRO 34 HA PRO 34 -9.537 -9.721 9.606 248 HB2 PRO 34 HB2 PRO 34 -6.890 -10.434 9.933 249 HB3 PRO 34 HB3 PRO 34 -8.302 -11.428 10.404 250 HG2 PRO 34 HG2 PRO 34 -6.655 -11.635 7.874 251 HG3 PRO 34 HG3 PRO 34 -7.203 -12.953 8.956 252 HD2 PRO 34 HD2 PRO 34 -8.533 -12.332 6.677 253 HD3 PRO 34 HD3 PRO 34 -9.427 -12.817 8.150 254 H SER 35 H SER 35 -7.150 -9.718 6.891 255 HA SER 35 HA SER 35 -6.332 -7.030 7.576 256 HB2 SER 35 HB2 SER 35 -5.663 -8.698 5.159 257 HB3 SER 35 HB3 SER 35 -4.822 -7.232 5.703 258 HG SER 35 HG SER 35 -4.062 -9.513 6.448 259 H CYS 36 H CYS 36 -8.746 -8.445 5.371 260 HA CYS 36 HA CYS 36 -9.115 -6.177 3.709 261 HB2 CYS 36 HB2 CYS 36 -9.991 -8.447 3.240 262 HB3 CYS 36 HB3 CYS 36 -11.164 -8.254 4.573 263 H GLN 37 H GLN 37 -11.001 -7.169 6.660 264 HA GLN 37 HA GLN 37 -12.644 -4.942 6.722 265 HB2 GLN 37 HB2 GLN 37 -13.201 -5.483 8.985 266 HB3 GLN 37 HB3 GLN 37 -13.027 -6.953 8.019 267 HG2 GLN 37 HG2 GLN 37 -10.679 -7.137 8.981 268 HG3 GLN 37 HG3 GLN 37 -11.137 -5.898 10.149 269 HE21 GLN 37 HE21 GLN 37 -13.718 -6.657 11.021 270 HE22 GLN 37 HE22 GLN 37 -13.635 -8.287 11.616 271 H LYS 38 H LYS 38 -9.424 -5.194 8.393 272 HA LYS 38 HA LYS 38 -9.621 -2.501 9.367 273 HB2 LYS 38 HB2 LYS 38 -7.269 -2.658 9.915 274 HB3 LYS 38 HB3 LYS 38 -8.140 -4.109 10.427 275 HG2 LYS 38 HG2 LYS 38 -7.361 -5.247 8.331 276 HG3 LYS 38 HG3 LYS 38 -6.352 -3.839 7.958 277 HD2 LYS 38 HD2 LYS 38 -6.114 -5.680 10.368 278 HD3 LYS 38 HD3 LYS 38 -5.074 -5.646 8.925 279 HE2 LYS 38 HE2 LYS 38 -4.579 -3.192 9.506 280 HE3 LYS 38 HE3 LYS 38 -5.416 -3.457 11.048 281 HZ1 LYS 38 HZ1 LYS 38 -3.774 -5.240 11.470 282 HZ2 LYS 38 HZ2 LYS 38 -3.070 -3.732 11.283 283 HZ3 LYS 38 HZ3 LYS 38 -3.016 -4.815 10.057 284 H MET 39 H MET 39 -8.331 -3.825 6.240 285 HA MET 39 HA MET 39 -7.108 -1.409 5.440 286 HB2 MET 39 HB2 MET 39 -8.204 -3.764 3.892 287 HB3 MET 39 HB3 MET 39 -7.557 -2.333 3.085 288 HG2 MET 39 HG2 MET 39 -5.976 -4.053 5.016 289 HG3 MET 39 HG3 MET 39 -5.936 -4.155 3.261 290 HE1 MET 39 HE1 MET 39 -3.746 -3.678 2.436 291 HE2 MET 39 HE2 MET 39 -2.524 -2.714 3.297 292 HE3 MET 39 HE3 MET 39 -3.256 -4.138 4.079 293 H LYS 40 H LYS 40 -10.520 -2.493 5.402 294 HA LYS 40 HA LYS 40 -11.587 -0.653 3.615 295 HB2 LYS 40 HB2 LYS 40 -12.920 -1.318 6.258 296 HB3 LYS 40 HB3 LYS 40 -13.677 -0.703 4.803 297 HG2 LYS 40 HG2 LYS 40 -12.525 -3.449 5.235 298 HG3 LYS 40 HG3 LYS 40 -14.206 -3.009 5.038 299 HD2 LYS 40 HD2 LYS 40 -13.455 -2.205 2.634 300 HD3 LYS 40 HD3 LYS 40 -11.979 -3.124 3.015 301 HE2 LYS 40 HE2 LYS 40 -13.287 -4.723 1.927 302 HE3 LYS 40 HE3 LYS 40 -13.495 -5.080 3.634 303 HZ1 LYS 40 HZ1 LYS 40 -15.399 -3.660 1.882 304 HZ2 LYS 40 HZ2 LYS 40 -15.591 -3.780 3.514 305 HZ3 LYS 40 HZ3 LYS 40 -15.584 -5.140 2.591 306 H ARG 41 H ARG 41 -10.397 -0.144 6.833 307 HA ARG 41 HA ARG 41 -11.606 2.430 7.332 308 HB2 ARG 41 HB2 ARG 41 -9.099 1.290 8.606 309 HB3 ARG 41 HB3 ARG 41 -10.087 2.634 9.179 310 HG2 ARG 41 HG2 ARG 41 -11.984 1.155 9.618 311 HG3 ARG 41 HG3 ARG 41 -11.187 -0.201 8.835 312 HD2 ARG 41 HD2 ARG 41 -11.057 -0.526 11.211 313 HD3 ARG 41 HD3 ARG 41 -9.472 -0.305 10.518 314 HE ARG 41 HE ARG 41 -9.146 1.457 11.892 315 HH11 ARG 41 HH11 ARG 41 -12.578 0.724 11.985 316 HH12 ARG 41 HH12 ARG 41 -13.092 2.200 12.713 317 HH21 ARG 41 HH21 ARG 41 -9.742 3.419 13.050 318 HH22 ARG 41 HH22 ARG 41 -11.376 3.724 13.496 319 H VAL 42 H VAL 42 -8.251 1.560 6.336 320 HA VAL 42 HA VAL 42 -7.504 4.266 5.877 321 HB VAL 42 HB VAL 42 -5.732 2.965 6.213 322 HG11 VAL 42 HG11 VAL 42 -5.066 0.845 5.234 323 HG12 VAL 42 HG12 VAL 42 -6.634 0.703 6.002 324 HG13 VAL 42 HG13 VAL 42 -6.515 0.827 4.223 325 HG21 VAL 42 HG21 VAL 42 -4.243 3.031 4.362 326 HG22 VAL 42 HG22 VAL 42 -5.575 2.911 3.193 327 HG23 VAL 42 HG23 VAL 42 -5.378 4.377 4.165 328 H VAL 43 H VAL 43 -8.673 1.769 3.608 329 HA VAL 43 HA VAL 43 -8.406 3.438 1.329 330 HB VAL 43 HB VAL 43 -9.816 1.915 0.113 331 HG11 VAL 43 HG11 VAL 43 -7.451 1.297 0.639 332 HG12 VAL 43 HG12 VAL 43 -8.023 0.335 2.009 333 HG13 VAL 43 HG13 VAL 43 -8.500 -0.101 0.360 334 HG21 VAL 43 HG21 VAL 43 -10.763 -0.109 1.317 335 HG22 VAL 43 HG22 VAL 43 -10.562 0.871 2.785 336 HG23 VAL 43 HG23 VAL 43 -11.627 1.427 1.501 337 H GLN 44 H GLN 44 -11.090 3.203 3.740 338 HA GLN 44 HA GLN 44 -12.870 4.744 2.196 339 HB2 GLN 44 HB2 GLN 44 -13.578 3.424 4.151 340 HB3 GLN 44 HB3 GLN 44 -12.612 4.441 5.214 341 HG2 GLN 44 HG2 GLN 44 -14.818 5.139 5.548 342 HG3 GLN 44 HG3 GLN 44 -14.145 6.388 4.515 343 HE21 GLN 44 HE21 GLN 44 -16.835 4.436 4.947 344 HE22 GLN 44 HE22 GLN 44 -17.427 4.367 3.295 345 H HIS 45 H HIS 45 -10.304 5.632 4.532 346 HA HIS 45 HA HIS 45 -10.878 8.436 4.605 347 HB2 HIS 45 HB2 HIS 45 -9.615 7.452 6.356 348 HB3 HIS 45 HB3 HIS 45 -8.434 6.770 5.243 349 HD1 HIS 45 HD1 HIS 45 -9.319 10.122 6.912 350 HD2 HIS 45 HD2 HIS 45 -6.472 8.343 4.335 351 HE1 HIS 45 HE1 HIS 45 -7.379 11.752 6.682 352 H THR 46 H THR 46 -8.462 6.506 2.609 353 HA THR 46 HA THR 46 -7.551 8.810 1.237 354 HB THR 46 HB THR 46 -6.574 7.153 -0.343 355 HG1 THR 46 HG1 THR 46 -8.085 5.557 -0.345 356 HG21 THR 46 HG21 THR 46 -5.306 5.902 1.604 357 HG22 THR 46 HG22 THR 46 -6.273 6.857 2.677 358 HG23 THR 46 HG23 THR 46 -5.218 7.657 1.479 359 H LYS 47 H LYS 47 -10.267 6.643 0.561 360 HA LYS 47 HA LYS 47 -10.862 7.494 -2.073 361 HB2 LYS 47 HB2 LYS 47 -11.596 5.430 -0.941 362 HB3 LYS 47 HB3 LYS 47 -12.638 6.377 0.132 363 HG2 LYS 47 HG2 LYS 47 -13.976 7.009 -1.866 364 HG3 LYS 47 HG3 LYS 47 -12.913 6.015 -2.879 365 HD2 LYS 47 HD2 LYS 47 -14.326 4.953 -0.447 366 HD3 LYS 47 HD3 LYS 47 -15.108 4.974 -2.021 367 HE2 LYS 47 HE2 LYS 47 -12.508 3.501 -1.423 368 HE3 LYS 47 HE3 LYS 47 -14.103 2.757 -1.420 369 HZ1 LYS 47 HZ1 LYS 47 -12.985 2.349 -3.481 370 HZ2 LYS 47 HZ2 LYS 47 -12.843 3.949 -3.809 371 HZ3 LYS 47 HZ3 LYS 47 -14.324 3.231 -3.767 372 H GLY 48 H GLY 48 -11.453 9.127 0.933 373 HA2 GLY 48 HA2 GLY 48 -13.177 11.150 -0.490 374 HA3 GLY 48 HA3 GLY 48 -13.347 10.732 1.205 375 H CYS 49 H CYS 49 -10.006 10.763 0.699 376 HA CYS 49 HA CYS 49 -9.591 13.050 2.209 377 HB2 CYS 49 HB2 CYS 49 -8.131 10.834 1.376 378 HB3 CYS 49 HB3 CYS 49 -7.309 12.140 0.553 379 H LYS 50 H LYS 50 -9.937 15.035 1.658 380 HA LYS 50 HA LYS 50 -9.184 15.973 -1.072 381 HB2 LYS 50 HB2 LYS 50 -11.619 16.182 -0.500 382 HB3 LYS 50 HB3 LYS 50 -11.182 17.217 0.852 383 HG2 LYS 50 HG2 LYS 50 -11.993 18.509 -1.046 384 HG3 LYS 50 HG3 LYS 50 -10.330 18.938 -0.679 385 HD2 LYS 50 HD2 LYS 50 -9.518 17.636 -2.600 386 HD3 LYS 50 HD3 LYS 50 -11.156 17.006 -2.896 387 HE2 LYS 50 HE2 LYS 50 -11.958 19.327 -3.287 388 HE3 LYS 50 HE3 LYS 50 -10.320 19.940 -3.009 389 HZ1 LYS 50 HZ1 LYS 50 -10.715 19.779 -5.325 390 HZ2 LYS 50 HZ2 LYS 50 -11.167 18.193 -5.246 391 HZ3 LYS 50 HZ3 LYS 50 -9.599 18.668 -4.919 392 H ARG 51 H ARG 51 -8.478 16.120 2.270 393 HA ARG 51 HA ARG 51 -7.221 18.664 2.513 394 HB2 ARG 51 HB2 ARG 51 -6.277 17.732 4.580 395 HB3 ARG 51 HB3 ARG 51 -7.974 17.290 4.423 396 HG2 ARG 51 HG2 ARG 51 -7.280 15.035 3.571 397 HG3 ARG 51 HG3 ARG 51 -5.583 15.476 3.771 398 HD2 ARG 51 HD2 ARG 51 -6.358 14.077 5.615 399 HD3 ARG 51 HD3 ARG 51 -5.855 15.666 6.176 400 HE ARG 51 HE ARG 51 -8.012 16.172 6.797 401 HH11 ARG 51 HH11 ARG 51 -8.194 13.269 4.700 402 HH12 ARG 51 HH12 ARG 51 -9.830 12.927 5.072 403 HH21 ARG 51 HH21 ARG 51 -10.128 15.883 7.120 404 HH22 ARG 51 HH22 ARG 51 -11.056 14.580 6.451 405 H LYS 52 H LYS 52 -6.162 16.099 0.651 406 HA LYS 52 HA LYS 52 -3.559 15.619 1.031 407 HB2 LYS 52 HB2 LYS 52 -4.792 16.104 -1.679 408 HB3 LYS 52 HB3 LYS 52 -3.363 15.117 -1.334 409 HG2 LYS 52 HG2 LYS 52 -4.711 13.513 -0.030 410 HG3 LYS 52 HG3 LYS 52 -6.143 14.522 -0.227 411 HD2 LYS 52 HD2 LYS 52 -6.588 13.160 -1.917 412 HD3 LYS 52 HD3 LYS 52 -5.554 14.284 -2.807 413 HE2 LYS 52 HE2 LYS 52 -3.662 12.677 -2.496 414 HE3 LYS 52 HE3 LYS 52 -4.788 11.611 -1.603 415 HZ1 LYS 52 HZ1 LYS 52 -4.598 10.975 -3.960 416 HZ2 LYS 52 HZ2 LYS 52 -5.114 12.427 -4.442 417 HZ3 LYS 52 HZ3 LYS 52 -6.141 11.468 -3.582 418 H THR 53 H THR 53 -4.631 18.822 -0.057 419 HA THR 53 HA THR 53 -1.768 19.584 -0.295 420 HB THR 53 HB THR 53 -2.743 21.495 -1.749 421 HG1 THR 53 HG1 THR 53 -4.995 20.362 -1.309 422 HG21 THR 53 HG21 THR 53 -1.213 19.653 -2.475 423 HG22 THR 53 HG22 THR 53 -2.361 20.143 -3.714 424 HG23 THR 53 HG23 THR 53 -2.632 18.635 -2.808 425 H ASN 54 H ASN 54 -4.521 19.975 1.563 426 HA ASN 54 HA ASN 54 -3.679 22.574 2.756 427 HB2 ASN 54 HB2 ASN 54 -6.344 21.079 2.786 428 HB3 ASN 54 HB3 ASN 54 -5.994 22.486 3.773 429 HD21 ASN 54 HD21 ASN 54 -5.206 24.527 2.558 430 HD22 ASN 54 HD22 ASN 54 -6.135 24.888 1.144 431 H GLY 55 H GLY 55 -2.363 19.920 3.126 432 HA2 GLY 55 HA2 GLY 55 -1.256 19.409 5.219 433 HA3 GLY 55 HA3 GLY 55 -2.826 19.462 6.036 434 H GLY 56 H GLY 56 -1.340 17.899 3.130 435 HA2 GLY 56 HA2 GLY 56 -3.142 15.650 3.136 436 HA3 GLY 56 HA3 GLY 56 -1.610 15.799 2.228 437 H CYS 57 H CYS 57 -3.184 14.341 4.810 438 HA CYS 57 HA CYS 57 -1.288 13.973 6.800 439 HB2 CYS 57 HB2 CYS 57 -2.845 12.025 7.327 440 HB3 CYS 57 HB3 CYS 57 -3.533 13.641 7.251 441 HA PRO 58 HA PRO 58 1.528 10.947 5.522 442 HB2 PRO 58 HB2 PRO 58 1.792 9.171 7.637 443 HB3 PRO 58 HB3 PRO 58 2.488 10.803 7.574 444 HG2 PRO 58 HG2 PRO 58 -0.066 9.929 8.909 445 HG3 PRO 58 HG3 PRO 58 1.193 11.073 9.488 446 HD2 PRO 58 HD2 PRO 58 -1.133 11.916 8.397 447 HD3 PRO 58 HD3 PRO 58 0.397 12.807 8.158 448 H ILE 59 H ILE 59 -1.547 9.460 6.678 449 HA ILE 59 HA ILE 59 -1.004 6.880 5.700 450 HB ILE 59 HB ILE 59 -3.706 8.244 5.897 451 HG12 ILE 59 HG12 ILE 59 -2.182 6.355 7.768 452 HG13 ILE 59 HG13 ILE 59 -2.351 8.088 8.011 453 HG21 ILE 59 HG21 ILE 59 -3.779 6.227 4.355 454 HG22 ILE 59 HG22 ILE 59 -3.067 5.247 5.652 455 HG23 ILE 59 HG23 ILE 59 -4.673 5.971 5.853 456 HD11 ILE 59 HD11 ILE 59 -3.878 6.996 9.461 457 HD12 ILE 59 HD12 ILE 59 -4.811 7.826 8.203 458 HD13 ILE 59 HD13 ILE 59 -4.584 6.051 8.144 459 H CYS 60 H CYS 60 -2.121 9.762 3.924 460 HA CYS 60 HA CYS 60 -2.600 8.607 1.419 461 HB2 CYS 60 HB2 CYS 60 -1.252 11.261 2.057 462 HB3 CYS 60 HB3 CYS 60 -1.876 10.796 0.480 463 H LYS 61 H LYS 61 0.615 9.755 2.715 464 HA LYS 61 HA LYS 61 2.031 8.850 0.363 465 HB2 LYS 61 HB2 LYS 61 4.103 9.212 1.472 466 HB3 LYS 61 HB3 LYS 61 3.045 10.593 1.718 467 HG2 LYS 61 HG2 LYS 61 2.698 10.064 3.988 468 HG3 LYS 61 HG3 LYS 61 3.428 8.457 3.860 469 HD2 LYS 61 HD2 LYS 61 4.939 11.065 3.532 470 HD3 LYS 61 HD3 LYS 61 4.782 10.175 5.049 471 HE2 LYS 61 HE2 LYS 61 5.812 8.148 3.828 472 HE3 LYS 61 HE3 LYS 61 6.208 9.272 2.519 473 HZ1 LYS 61 HZ1 LYS 61 7.228 9.331 5.305 474 HZ2 LYS 61 HZ2 LYS 61 7.405 10.602 4.269 475 HZ3 LYS 61 HZ3 LYS 61 8.081 9.148 3.935 476 H GLN 62 H GLN 62 1.361 7.315 3.524 477 HA GLN 62 HA GLN 62 3.016 5.041 3.187 478 HB2 GLN 62 HB2 GLN 62 0.299 5.261 4.567 479 HB3 GLN 62 HB3 GLN 62 1.394 3.903 4.712 480 HG2 GLN 62 HG2 GLN 62 1.984 6.753 5.618 481 HG3 GLN 62 HG3 GLN 62 1.503 5.432 6.645 482 HE21 GLN 62 HE21 GLN 62 4.045 7.180 6.292 483 HE22 GLN 62 HE22 GLN 62 5.297 5.958 6.439 484 H LEU 63 H LEU 63 -0.369 5.602 2.237 485 HA LEU 63 HA LEU 63 -0.820 3.063 1.072 486 HB2 LEU 63 HB2 LEU 63 -2.652 4.607 1.582 487 HB3 LEU 63 HB3 LEU 63 -2.012 5.803 0.450 488 HG LEU 63 HG LEU 63 -2.449 4.293 -1.463 489 HD11 LEU 63 HD11 LEU 63 -3.566 2.442 0.681 490 HD12 LEU 63 HD12 LEU 63 -2.203 2.089 -0.408 491 HD13 LEU 63 HD13 LEU 63 -3.824 2.223 -1.065 492 HD21 LEU 63 HD21 LEU 63 -4.214 5.842 -0.426 493 HD22 LEU 63 HD22 LEU 63 -4.956 4.355 0.219 494 HD23 LEU 63 HD23 LEU 63 -4.774 4.583 -1.532 495 H ILE 64 H ILE 64 0.506 6.093 -0.335 496 HA ILE 64 HA ILE 64 0.613 5.169 -3.003 497 HB ILE 64 HB ILE 64 1.944 7.387 -1.455 498 HG12 ILE 64 HG12 ILE 64 0.292 7.445 -3.993 499 HG13 ILE 64 HG13 ILE 64 -0.464 7.242 -2.412 500 HG21 ILE 64 HG21 ILE 64 3.736 6.785 -2.994 501 HG22 ILE 64 HG22 ILE 64 2.600 6.674 -4.339 502 HG23 ILE 64 HG23 ILE 64 2.948 8.248 -3.583 503 HD11 ILE 64 HD11 ILE 64 -0.700 9.512 -2.956 504 HD12 ILE 64 HD12 ILE 64 0.464 9.391 -1.636 505 HD13 ILE 64 HD13 ILE 64 1.044 9.689 -3.292 506 H ALA 65 H ALA 65 2.981 4.799 -0.344 507 HA ALA 65 HA ALA 65 5.097 3.784 -1.867 508 HB1 ALA 65 HB1 ALA 65 4.276 2.960 0.954 509 HB2 ALA 65 HB2 ALA 65 5.860 2.724 0.221 510 HB3 ALA 65 HB3 ALA 65 5.268 4.373 0.535 511 H LEU 66 H LEU 66 2.404 1.997 -0.325 512 HA LEU 66 HA LEU 66 3.284 -0.574 -1.358 513 HB2 LEU 66 HB2 LEU 66 1.894 -0.016 0.814 514 HB3 LEU 66 HB3 LEU 66 0.517 0.048 -0.285 515 HG LEU 66 HG LEU 66 1.261 -2.303 -1.089 516 HD11 LEU 66 HD11 LEU 66 2.564 -3.621 0.603 517 HD12 LEU 66 HD12 LEU 66 2.877 -2.130 1.503 518 HD13 LEU 66 HD13 LEU 66 3.542 -2.350 -0.133 519 HD21 LEU 66 HD21 LEU 66 0.262 -1.880 1.749 520 HD22 LEU 66 HD22 LEU 66 0.188 -3.419 0.859 521 HD23 LEU 66 HD23 LEU 66 -0.696 -2.025 0.251 522 H ALA 67 H ALA 67 0.701 1.770 -2.250 523 HA ALA 67 HA ALA 67 -0.543 0.247 -4.242 524 HB1 ALA 67 HB1 ALA 67 -1.603 2.244 -3.497 525 HB2 ALA 67 HB2 ALA 67 -0.176 3.238 -3.879 526 HB3 ALA 67 HB3 ALA 67 -1.153 2.560 -5.186 527 H ALA 68 H ALA 68 2.514 2.042 -4.387 528 HA ALA 68 HA ALA 68 2.818 2.107 -7.204 529 HB1 ALA 68 HB1 ALA 68 4.970 1.803 -5.072 530 HB2 ALA 68 HB2 ALA 68 5.215 2.395 -6.723 531 HB3 ALA 68 HB3 ALA 68 4.256 3.353 -5.580 532 H TYR 69 H TYR 69 3.230 -0.559 -4.887 533 HA TYR 69 HA TYR 69 4.689 -2.288 -6.740 534 HB2 TYR 69 HB2 TYR 69 3.393 -2.707 -4.019 535 HB3 TYR 69 HB3 TYR 69 3.861 -4.033 -5.042 536 HD1 TYR 69 HD1 TYR 69 5.554 -0.843 -3.921 537 HD2 TYR 69 HD2 TYR 69 5.748 -5.137 -4.348 538 HE1 TYR 69 HE1 TYR 69 7.892 -0.811 -3.163 539 HE2 TYR 69 HE2 TYR 69 8.094 -5.109 -3.599 540 HH TYR 69 HH TYR 69 9.910 -2.113 -3.439 541 H HIS 70 H HIS 70 1.250 -1.693 -5.761 542 HA HIS 70 HA HIS 70 0.247 -4.024 -7.163 543 HB2 HIS 70 HB2 HIS 70 -1.275 -3.178 -5.580 544 HB3 HIS 70 HB3 HIS 70 -0.992 -1.504 -6.044 545 HD1 HIS 70 HD1 HIS 70 -2.480 -4.651 -7.839 546 HD2 HIS 70 HD2 HIS 70 -2.627 -0.475 -7.614 547 HE1 HIS 70 HE1 HIS 70 -4.231 -3.893 -9.515 548 H ALA 71 H ALA 71 0.698 -0.561 -8.020 549 HA ALA 71 HA ALA 71 -0.470 -0.539 -10.503 550 HB1 ALA 71 HB1 ALA 71 0.931 1.406 -10.977 551 HB2 ALA 71 HB2 ALA 71 0.391 1.452 -9.299 552 HB3 ALA 71 HB3 ALA 71 2.060 0.949 -9.679 553 H LYS 72 H LYS 72 2.908 -1.625 -9.895 554 HA LYS 72 HA LYS 72 3.430 -2.002 -12.669 555 HB2 LYS 72 HB2 LYS 72 5.324 -3.424 -12.000 556 HB3 LYS 72 HB3 LYS 72 5.282 -1.882 -11.168 557 HG2 LYS 72 HG2 LYS 72 4.667 -2.846 -9.098 558 HG3 LYS 72 HG3 LYS 72 4.224 -4.395 -9.829 559 HD2 LYS 72 HD2 LYS 72 6.556 -4.856 -10.368 560 HD3 LYS 72 HD3 LYS 72 7.019 -3.215 -9.932 561 HE2 LYS 72 HE2 LYS 72 7.781 -4.364 -8.138 562 HE3 LYS 72 HE3 LYS 72 6.227 -3.782 -7.530 563 HZ1 LYS 72 HZ1 LYS 72 6.871 -6.111 -7.040 564 HZ2 LYS 72 HZ2 LYS 72 6.649 -6.499 -8.605 565 HZ3 LYS 72 HZ3 LYS 72 5.377 -5.953 -7.686 566 H HIS 73 H HIS 73 1.346 -3.974 -10.712 567 HA HIS 73 HA HIS 73 1.543 -6.160 -12.738 568 HB2 HIS 73 HB2 HIS 73 0.746 -6.365 -9.823 569 HB3 HIS 73 HB3 HIS 73 0.758 -7.690 -10.979 570 HD1 HIS 73 HD1 HIS 73 2.437 -8.117 -8.423 571 HD2 HIS 73 HD2 HIS 73 3.913 -6.337 -11.951 572 HE1 HIS 73 HE1 HIS 73 4.982 -8.064 -8.263 573 H CYS 74 H CYS 74 -0.395 -3.564 -12.041 574 HA CYS 74 HA CYS 74 -2.979 -4.913 -12.038 575 HB2 CYS 74 HB2 CYS 74 -2.304 -2.512 -11.203 576 HB3 CYS 74 HB3 CYS 74 -2.530 -2.057 -12.914 577 H GLN 75 H GLN 75 -4.017 -5.674 -13.834 578 HA GLN 75 HA GLN 75 -2.670 -6.001 -16.316 579 HB2 GLN 75 HB2 GLN 75 -5.599 -6.350 -15.568 580 HB3 GLN 75 HB3 GLN 75 -4.926 -6.774 -17.128 581 HG2 GLN 75 HG2 GLN 75 -5.125 -8.750 -15.862 582 HG3 GLN 75 HG3 GLN 75 -3.409 -8.393 -16.070 583 HE21 GLN 75 HE21 GLN 75 -2.775 -9.653 -14.243 584 HE22 GLN 75 HE22 GLN 75 -3.161 -9.172 -12.593 585 H GLU 76 H GLU 76 -5.793 -4.368 -15.887 586 HA GLU 76 HA GLU 76 -5.736 -3.025 -18.380 587 HB2 GLU 76 HB2 GLU 76 -7.264 -2.665 -15.796 588 HB3 GLU 76 HB3 GLU 76 -7.406 -1.407 -16.998 589 HG2 GLU 76 HG2 GLU 76 -7.982 -4.353 -17.519 590 HG3 GLU 76 HG3 GLU 76 -9.197 -3.101 -17.226 591 H ASN 77 H ASN 77 -5.430 -0.892 -18.998 592 HA ASN 77 HA ASN 77 -3.153 0.369 -17.711 593 HB2 ASN 77 HB2 ASN 77 -3.812 0.353 -20.229 594 HB3 ASN 77 HB3 ASN 77 -4.869 1.711 -19.826 595 HD21 ASN 77 HD21 ASN 77 -3.763 3.796 -19.085 596 HD22 ASN 77 HD22 ASN 77 -2.046 3.940 -19.275 597 H LYS 78 H LYS 78 -6.587 0.669 -17.363 598 HA LYS 78 HA LYS 78 -6.330 3.136 -15.710 599 HB2 LYS 78 HB2 LYS 78 -7.473 3.457 -17.918 600 HB3 LYS 78 HB3 LYS 78 -8.722 2.324 -17.425 601 HG2 LYS 78 HG2 LYS 78 -9.602 3.810 -15.810 602 HG3 LYS 78 HG3 LYS 78 -8.074 4.677 -15.636 603 HD2 LYS 78 HD2 LYS 78 -9.628 6.120 -16.798 604 HD3 LYS 78 HD3 LYS 78 -8.315 5.649 -17.876 605 HE2 LYS 78 HE2 LYS 78 -9.866 3.854 -18.801 606 HE3 LYS 78 HE3 LYS 78 -11.165 4.570 -17.835 607 HZ1 LYS 78 HZ1 LYS 78 -9.657 5.961 -19.984 608 HZ2 LYS 78 HZ2 LYS 78 -10.845 6.639 -19.112 609 HZ3 LYS 78 HZ3 LYS 78 -11.187 5.384 -20.094 610 H CYS 79 H CYS 79 -5.947 1.946 -13.862 611 HA CYS 79 HA CYS 79 -7.251 -0.376 -13.012 612 HB2 CYS 79 HB2 CYS 79 -6.087 1.861 -11.296 613 HB3 CYS 79 HB3 CYS 79 -6.207 0.146 -10.869 614 HA PRO 80 HA PRO 80 -10.983 1.291 -11.115 615 HB2 PRO 80 HB2 PRO 80 -11.579 -0.639 -9.279 616 HB3 PRO 80 HB3 PRO 80 -11.653 -0.944 -11.045 617 HG2 PRO 80 HG2 PRO 80 -9.403 -1.606 -9.122 618 HG3 PRO 80 HG3 PRO 80 -10.171 -2.679 -10.333 619 HD2 PRO 80 HD2 PRO 80 -7.847 -1.348 -10.847 620 HD3 PRO 80 HD3 PRO 80 -9.074 -1.608 -12.118 621 H VAL 81 H VAL 81 -7.983 1.095 -9.561 622 HA VAL 81 HA VAL 81 -8.859 2.281 -7.008 623 HB VAL 81 HB VAL 81 -6.202 1.053 -7.844 624 HG11 VAL 81 HG11 VAL 81 -5.853 2.781 -6.131 625 HG12 VAL 81 HG12 VAL 81 -7.170 2.094 -5.146 626 HG13 VAL 81 HG13 VAL 81 -5.676 1.183 -5.408 627 HG21 VAL 81 HG21 VAL 81 -7.799 -0.730 -7.631 628 HG22 VAL 81 HG22 VAL 81 -6.858 -0.712 -6.142 629 HG23 VAL 81 HG23 VAL 81 -8.495 -0.026 -6.155 630 HA PRO 82 HA PRO 82 -7.568 6.053 -9.085 631 HB2 PRO 82 HB2 PRO 82 -7.796 7.840 -6.981 632 HB3 PRO 82 HB3 PRO 82 -9.164 7.199 -7.927 633 HG2 PRO 82 HG2 PRO 82 -8.190 6.377 -5.211 634 HG3 PRO 82 HG3 PRO 82 -9.863 6.487 -5.827 635 HD2 PRO 82 HD2 PRO 82 -8.370 4.139 -5.605 636 HD3 PRO 82 HD3 PRO 82 -9.747 4.317 -6.703 637 H PHE 83 H PHE 83 -6.056 5.139 -5.955 638 HA PHE 83 HA PHE 83 -3.898 7.012 -6.247 639 HB2 PHE 83 HB2 PHE 83 -4.440 4.629 -4.477 640 HB3 PHE 83 HB3 PHE 83 -2.811 5.255 -4.595 641 HD1 PHE 83 HD1 PHE 83 -6.123 7.175 -4.493 642 HD2 PHE 83 HD2 PHE 83 -2.315 6.358 -2.648 643 HE1 PHE 83 HE1 PHE 83 -6.543 8.924 -2.858 644 HE2 PHE 83 HE2 PHE 83 -2.678 8.251 -1.076 645 HZ PHE 83 HZ PHE 83 -4.803 9.559 -1.174 646 H CYS 84 H CYS 84 -4.524 3.838 -7.581 647 HA CYS 84 HA CYS 84 -1.865 3.026 -8.192 648 HB2 CYS 84 HB2 CYS 84 -4.179 1.709 -8.258 649 HB3 CYS 84 HB3 CYS 84 -4.368 2.421 -9.853 650 H LEU 85 H LEU 85 -4.403 4.424 -10.290 651 HA LEU 85 HA LEU 85 -2.663 5.065 -12.387 652 HB2 LEU 85 HB2 LEU 85 -4.479 6.371 -13.371 653 HB3 LEU 85 HB3 LEU 85 -4.921 4.761 -12.846 654 HG LEU 85 HG LEU 85 -5.794 6.020 -10.673 655 HD11 LEU 85 HD11 LEU 85 -4.998 8.305 -11.414 656 HD12 LEU 85 HD12 LEU 85 -6.744 8.221 -11.158 657 HD13 LEU 85 HD13 LEU 85 -6.083 8.179 -12.803 658 HD21 LEU 85 HD21 LEU 85 -7.184 4.679 -12.125 659 HD22 LEU 85 HD22 LEU 85 -7.257 5.982 -13.325 660 HD23 LEU 85 HD23 LEU 85 -8.018 6.190 -11.732 661 H ASN 86 H ASN 86 -3.478 7.048 -9.532 662 HA ASN 86 HA ASN 86 -2.290 9.445 -10.549 663 HB2 ASN 86 HB2 ASN 86 -3.634 9.424 -8.479 664 HB3 ASN 86 HB3 ASN 86 -2.374 8.455 -7.705 665 HD21 ASN 86 HD21 ASN 86 -1.722 9.956 -6.112 666 HD22 ASN 86 HD22 ASN 86 -1.169 11.568 -6.414 667 H ILE 87 H ILE 87 -0.750 6.571 -8.860 668 HA ILE 87 HA ILE 87 1.836 7.789 -8.719 669 HB ILE 87 HB ILE 87 0.839 4.913 -8.725 670 HG12 ILE 87 HG12 ILE 87 2.070 6.499 -6.444 671 HG13 ILE 87 HG13 ILE 87 0.374 6.684 -6.817 672 HG21 ILE 87 HG21 ILE 87 3.137 4.841 -9.520 673 HG22 ILE 87 HG22 ILE 87 3.654 5.964 -8.240 674 HG23 ILE 87 HG23 ILE 87 3.105 4.322 -7.834 675 HD11 ILE 87 HD11 ILE 87 1.737 4.149 -5.928 676 HD12 ILE 87 HD12 ILE 87 0.440 5.066 -5.134 677 HD13 ILE 87 HD13 ILE 87 0.094 4.171 -6.619 678 H LYS 88 H LYS 88 0.176 5.715 -11.181 679 HA LYS 88 HA LYS 88 2.407 5.607 -12.951 680 HB2 LYS 88 HB2 LYS 88 -0.594 5.465 -13.485 681 HB3 LYS 88 HB3 LYS 88 0.609 5.185 -14.725 682 HG2 LYS 88 HG2 LYS 88 0.199 3.543 -12.182 683 HG3 LYS 88 HG3 LYS 88 -0.200 3.065 -13.828 684 HD2 LYS 88 HD2 LYS 88 2.601 3.453 -12.687 685 HD3 LYS 88 HD3 LYS 88 1.820 1.934 -13.143 686 HE2 LYS 88 HE2 LYS 88 1.718 2.589 -15.469 687 HE3 LYS 88 HE3 LYS 88 2.390 4.187 -15.124 688 HZ1 LYS 88 HZ1 LYS 88 4.464 3.192 -14.545 689 HZ2 LYS 88 HZ2 LYS 88 3.995 2.528 -15.984 690 HZ3 LYS 88 HZ3 LYS 88 3.838 1.666 -14.624 691 H GLN 89 H GLN 89 -0.160 8.071 -12.660 692 HA GLN 89 HA GLN 89 0.552 9.626 -14.896 693 HB2 GLN 89 HB2 GLN 89 -0.805 10.259 -12.255 694 HB3 GLN 89 HB3 GLN 89 -0.570 11.495 -13.479 695 HG2 GLN 89 HG2 GLN 89 -1.855 10.264 -15.115 696 HG3 GLN 89 HG3 GLN 89 -1.917 8.842 -14.103 697 HE21 GLN 89 HE21 GLN 89 -4.225 9.285 -14.850 698 HE22 GLN 89 HE22 GLN 89 -5.274 10.275 -13.837 699 H LYS 90 H LYS 90 2.364 9.275 -11.948 700 HA LYS 90 HA LYS 90 4.070 11.605 -12.752 701 HB2 LYS 90 HB2 LYS 90 4.600 12.036 -10.465 702 HB3 LYS 90 HB3 LYS 90 2.865 12.095 -10.720 703 HG2 LYS 90 HG2 LYS 90 2.801 9.662 -9.812 704 HG3 LYS 90 HG3 LYS 90 4.497 9.883 -9.396 705 HD2 LYS 90 HD2 LYS 90 3.420 10.320 -7.407 706 HD3 LYS 90 HD3 LYS 90 3.667 11.951 -8.019 707 HE2 LYS 90 HE2 LYS 90 1.119 10.300 -8.391 708 HE3 LYS 90 HE3 LYS 90 1.360 11.397 -7.033 709 HZ1 LYS 90 HZ1 LYS 90 1.363 13.248 -8.520 710 HZ2 LYS 90 HZ2 LYS 90 0.065 12.311 -8.885 711 HZ3 LYS 90 HZ3 LYS 90 1.380 12.299 -9.845 712 H GLY 91 H GLY 91 3.966 8.402 -12.921 713 HA2 GLY 91 HA2 GLY 91 5.300 6.707 -13.244 714 HA3 GLY 91 HA3 GLY 91 6.584 7.864 -13.556 715 H GLY 92 H GLY 92 6.625 8.860 -10.837 716 HA2 GLY 92 HA2 GLY 92 6.918 7.874 -8.533 717 HA3 GLY 92 HA3 GLY 92 8.031 6.727 -9.320 718 H SER 93 H SER 93 7.552 10.177 -10.141 719 HA SER 93 HA SER 93 10.293 10.763 -10.401 720 HB2 SER 93 HB2 SER 93 8.278 11.744 -11.562 721 HB3 SER 93 HB3 SER 93 7.877 12.605 -10.070 722 HG SER 93 HG SER 93 9.046 13.743 -11.776 723 H GLY 94 H GLY 94 11.253 12.770 -9.311 724 HA2 GLY 94 HA2 GLY 94 11.621 14.111 -7.428 725 HA3 GLY 94 HA3 GLY 94 10.678 13.025 -6.427 726 H GLY 95 H GLY 95 12.831 11.149 -8.316 727 HA2 GLY 95 HA2 GLY 95 14.834 10.100 -7.837 728 HA3 GLY 95 HA3 GLY 95 15.306 11.583 -6.999 729 H GLY 96 H GLY 96 12.724 9.186 -6.344 730 HA2 GLY 96 HA2 GLY 96 12.187 7.924 -4.523 731 HA3 GLY 96 HA3 GLY 96 13.921 7.883 -4.154 732 H THR 97 H THR 97 11.162 10.284 -3.964 733 HA THR 97 HA THR 97 12.422 11.770 -1.915 734 HB THR 97 HB THR 97 10.280 12.794 -1.481 735 HG1 THR 97 HG1 THR 97 8.423 12.050 -2.182 736 HG21 THR 97 HG21 THR 97 9.730 13.625 -3.701 737 HG22 THR 97 HG22 THR 97 10.489 12.215 -4.458 738 HG23 THR 97 HG23 THR 97 11.484 13.409 -3.590 739 H GLY 98 H GLY 98 12.187 11.775 0.365 740 HA2 GLY 98 HA2 GLY 98 10.664 10.607 2.182 741 HA3 GLY 98 HA3 GLY 98 11.543 9.177 1.591 742 H GLY 99 H GLY 99 13.940 9.300 1.529 743 HA2 GLY 99 HA2 GLY 99 15.768 10.951 2.317 744 HA3 GLY 99 HA3 GLY 99 14.998 10.766 3.880 745 H GLY 100 H GLY 100 14.302 7.872 3.325 746 HA2 GLY 100 HA2 GLY 100 15.189 5.781 3.517 747 HA3 GLY 100 HA3 GLY 100 16.631 6.366 2.685 748 H SER 101 H SER 101 15.094 6.945 5.893 749 HA SER 101 HA SER 101 17.606 7.221 7.283 750 HB2 SER 101 HB2 SER 101 14.730 6.796 8.250 751 HB3 SER 101 HB3 SER 101 16.077 7.225 9.294 752 HG SER 101 HG SER 101 15.283 9.110 8.875 753 H GLY 102 H GLY 102 17.724 5.906 9.472 754 HA2 GLY 102 HA2 GLY 102 18.006 3.958 10.608 755 HA3 GLY 102 HA3 GLY 102 16.934 3.149 9.450 756 H THR 103 H THR 103 20.098 4.797 8.867 757 HA THR 103 HA THR 103 21.357 2.208 8.352 758 HB THR 103 HB THR 103 20.532 2.423 6.219 759 HG1 THR 103 HG1 THR 103 22.931 3.896 5.983 760 HG21 THR 103 HG21 THR 103 19.512 4.613 6.276 761 HG22 THR 103 HG22 THR 103 20.552 4.504 4.873 762 HG23 THR 103 HG23 THR 103 21.097 5.408 6.306 763 H ILE 104 H ILE 104 23.102 2.303 9.453 764 HA ILE 104 HA ILE 104 24.831 4.705 9.433 765 HB ILE 104 HB ILE 104 23.520 4.609 11.491 766 HG12 ILE 104 HG12 ILE 104 26.465 4.074 12.016 767 HG13 ILE 104 HG13 ILE 104 25.825 5.586 11.358 768 HG21 ILE 104 HG21 ILE 104 23.893 2.907 13.214 769 HG22 ILE 104 HG22 ILE 104 23.253 2.167 11.760 770 HG23 ILE 104 HG23 ILE 104 24.988 2.027 12.145 771 HD11 ILE 104 HD11 ILE 104 25.314 4.423 14.123 772 HD12 ILE 104 HD12 ILE 104 26.172 5.910 13.694 773 HD13 ILE 104 HD13 ILE 104 24.417 5.807 13.456 774 H GLU 105 H GLU 105 24.406 1.379 8.881 775 HA GLU 105 HA GLU 105 27.345 0.986 8.491 776 HB2 GLU 105 HB2 GLU 105 25.296 -1.164 9.104 777 HB3 GLU 105 HB3 GLU 105 27.038 -1.374 8.960 778 HG2 GLU 105 HG2 GLU 105 27.303 -1.051 11.138 779 HG3 GLU 105 HG3 GLU 105 26.625 0.568 11.031 780 H GLY 106 H GLY 106 24.962 1.848 6.740 781 HA2 GLY 106 HA2 GLY 106 24.305 1.672 4.502 782 HA3 GLY 106 HA3 GLY 106 25.902 0.945 4.244 783 H ARG 107 H ARG 107 23.272 -0.365 6.234 784 HA ARG 107 HA ARG 107 23.181 -2.804 4.508 785 HB2 ARG 107 HB2 ARG 107 22.585 -4.083 6.454 786 HB3 ARG 107 HB3 ARG 107 24.177 -3.330 6.585 787 HG2 ARG 107 HG2 ARG 107 23.255 -1.603 8.096 788 HG3 ARG 107 HG3 ARG 107 21.644 -2.342 7.976 789 HD2 ARG 107 HD2 ARG 107 22.489 -4.432 8.930 790 HD3 ARG 107 HD3 ARG 107 24.138 -3.811 8.852 791 HE ARG 107 HE ARG 107 23.876 -2.761 10.857 792 HH11 ARG 107 HH11 ARG 107 20.584 -3.522 9.748 793 HH12 ARG 107 HH12 ARG 107 19.835 -2.547 10.957 794 HH21 ARG 107 HH21 ARG 107 22.914 -1.602 12.418 795 HH22 ARG 107 HH22 ARG 107 21.205 -1.780 12.808 796 H GLY 108 H GLY 108 21.106 -3.851 4.384 797 HA2 GLY 108 HA2 GLY 108 18.620 -3.566 5.173 798 HA3 GLY 108 HA3 GLY 108 18.799 -2.000 4.331 799 H ASP 109 H ASP 109 19.620 -5.452 3.922 800 HA ASP 109 HA ASP 109 19.635 -5.229 0.998 801 HB2 ASP 109 HB2 ASP 109 20.459 -7.385 2.972 802 HB3 ASP 109 HB3 ASP 109 20.445 -7.643 1.223 803 H GLY 110 H GLY 110 18.807 -7.381 -0.065 804 HA2 GLY 110 HA2 GLY 110 17.045 -8.845 -0.451 805 HA3 GLY 110 HA3 GLY 110 16.101 -8.084 0.827 806 H GLY 111 H GLY 111 17.098 -5.444 -0.850 807 HA2 GLY 111 HA2 GLY 111 16.299 -4.149 -2.560 808 HA3 GLY 111 HA3 GLY 111 15.536 -5.577 -3.275 809 H THR 112 H THR 112 14.742 -4.888 0.052 810 HA THR 112 HA THR 112 12.268 -3.446 -0.683 811 HB THR 112 HB THR 112 11.110 -5.092 1.023 812 HG1 THR 112 HG1 THR 112 13.175 -6.223 1.390 813 HG21 THR 112 HG21 THR 112 11.785 -5.981 -1.787 814 HG22 THR 112 HG22 THR 112 10.546 -4.786 -1.356 815 HG23 THR 112 HG23 THR 112 10.371 -6.463 -0.847 816 H THR 113 H THR 113 14.887 -2.716 0.820 817 HA THR 113 HA THR 113 14.282 -2.418 3.467 818 HB THR 113 HB THR 113 16.460 -2.024 2.274 819 HG1 THR 113 HG1 THR 113 16.057 -1.765 4.527 820 HG21 THR 113 HG21 THR 113 15.515 0.860 2.201 821 HG22 THR 113 HG22 THR 113 15.783 -0.174 0.773 822 HG23 THR 113 HG23 THR 113 17.141 0.260 1.833 823 H PHE 114 H PHE 114 12.544 -0.724 1.025 824 HA PHE 114 HA PHE 114 11.790 1.601 2.428 825 HB2 PHE 114 HB2 PHE 114 10.031 1.895 0.994 826 HB3 PHE 114 HB3 PHE 114 11.207 1.059 0.018 827 HD1 PHE 114 HD1 PHE 114 7.838 1.345 0.493 828 HD2 PHE 114 HD2 PHE 114 10.813 -1.760 0.334 829 HE1 PHE 114 HE1 PHE 114 6.083 -0.319 -0.049 830 HE2 PHE 114 HE2 PHE 114 9.069 -3.413 -0.172 831 HZ PHE 114 HZ PHE 114 6.697 -2.723 -0.349 832 H GLU 115 H GLU 115 11.126 -1.719 3.109 833 HA GLU 115 HA GLU 115 8.726 -1.708 4.557 834 HB2 GLU 115 HB2 GLU 115 9.625 -3.764 5.544 835 HB3 GLU 115 HB3 GLU 115 10.014 -3.707 3.819 836 HG2 GLU 115 HG2 GLU 115 12.303 -2.737 4.533 837 HG3 GLU 115 HG3 GLU 115 11.882 -3.192 6.180 838 H HIS 116 H HIS 116 11.906 -0.376 5.343 839 HA HIS 116 HA HIS 116 11.744 -0.357 8.144 840 HB2 HIS 116 HB2 HIS 116 13.607 0.908 8.100 841 HB3 HIS 116 HB3 HIS 116 13.702 0.298 6.483 842 HD1 HIS 116 HD1 HIS 116 13.245 3.504 8.463 843 HD2 HIS 116 HD2 HIS 116 13.098 2.165 4.479 844 HE1 HIS 116 HE1 HIS 116 13.291 5.591 7.000 845 H LEU 117 H LEU 117 9.962 1.604 5.805 846 HA LEU 117 HA LEU 117 9.343 3.816 7.520 847 HB2 LEU 117 HB2 LEU 117 7.966 2.596 5.112 848 HB3 LEU 117 HB3 LEU 117 7.186 3.846 6.054 849 HG LEU 117 HG LEU 117 9.336 5.251 5.694 850 HD11 LEU 117 HD11 LEU 117 9.574 3.428 3.273 851 HD12 LEU 117 HD12 LEU 117 10.697 3.427 4.644 852 HD13 LEU 117 HD13 LEU 117 10.549 4.867 3.628 853 HD21 LEU 117 HD21 LEU 117 7.450 4.659 3.402 854 HD22 LEU 117 HD22 LEU 117 8.425 6.120 3.579 855 HD23 LEU 117 HD23 LEU 117 7.129 5.783 4.735 856 H TRP 118 H TRP 118 8.000 0.460 7.341 857 HA TRP 118 HA TRP 118 5.647 1.105 8.845 858 HB2 TRP 118 HB2 TRP 118 6.993 -1.589 8.771 859 HB3 TRP 118 HB3 TRP 118 5.286 -1.199 8.879 860 HD1 TRP 118 HD1 TRP 118 7.270 -2.896 6.719 861 HE1 TRP 118 HE1 TRP 118 6.349 -2.921 4.306 862 HE3 TRP 118 HE3 TRP 118 4.265 1.229 6.903 863 HZ2 TRP 118 HZ2 TRP 118 4.927 -1.124 2.561 864 HZ3 TRP 118 HZ3 TRP 118 3.063 1.964 4.885 865 HH2 TRP 118 HH2 TRP 118 3.403 0.857 2.704 866 H SER 119 H SER 119 8.990 0.617 9.729 867 HA SER 119 HA SER 119 8.566 -0.176 12.453 868 HB2 SER 119 HB2 SER 119 10.620 -0.455 10.944 869 HB3 SER 119 HB3 SER 119 10.984 1.248 11.288 870 HG SER 119 HG SER 119 10.975 0.681 13.521 871 H SER 120 H SER 120 7.462 2.532 11.190 872 HA SER 120 HA SER 120 8.087 4.371 13.443 873 HB2 SER 120 HB2 SER 120 9.064 4.978 11.218 874 HB3 SER 120 HB3 SER 120 7.449 4.940 10.509 875 HG SER 120 HG SER 120 8.642 6.963 11.426 876 H LEU 121 H LEU 121 5.798 2.327 11.992 877 HA LEU 121 HA LEU 121 3.410 3.885 12.149 878 HB2 LEU 121 HB2 LEU 121 4.175 1.794 10.758 879 HB3 LEU 121 HB3 LEU 121 3.613 0.843 12.122 880 HG LEU 121 HG LEU 121 1.817 2.917 10.836 881 HD11 LEU 121 HD11 LEU 121 2.204 0.097 9.765 882 HD12 LEU 121 HD12 LEU 121 2.877 1.553 9.002 883 HD13 LEU 121 HD13 LEU 121 1.135 1.376 9.131 884 HD21 LEU 121 HD21 LEU 121 1.243 0.239 12.151 885 HD22 LEU 121 HD22 LEU 121 0.033 1.221 11.298 886 HD23 LEU 121 HD23 LEU 121 0.817 1.865 12.733 887 H GLU 122 H GLU 122 1.781 3.778 13.709 888 HA GLU 122 HA GLU 122 2.655 3.303 16.412 889 HB2 GLU 122 HB2 GLU 122 -0.094 3.927 15.236 890 HB3 GLU 122 HB3 GLU 122 0.243 3.760 16.963 891 HG2 GLU 122 HG2 GLU 122 2.026 5.571 16.690 892 HG3 GLU 122 HG3 GLU 122 1.402 5.838 15.057 893 HA PRO 123 HA PRO 123 1.670 -1.041 16.282 894 HB2 PRO 123 HB2 PRO 123 1.781 -1.698 18.966 895 HB3 PRO 123 HB3 PRO 123 3.200 -1.411 17.918 896 HG2 PRO 123 HG2 PRO 123 1.828 0.557 19.767 897 HG3 PRO 123 HG3 PRO 123 3.583 0.201 19.630 898 HD2 PRO 123 HD2 PRO 123 2.493 2.320 18.366 899 HD3 PRO 123 HD3 PRO 123 3.734 1.329 17.546 900 H ASP 124 H ASP 124 -0.584 1.228 17.191 901 HA ASP 124 HA ASP 124 -2.527 -0.416 18.479 902 HB2 ASP 124 HB2 ASP 124 -3.832 1.400 18.565 903 HB3 ASP 124 HB3 ASP 124 -2.353 2.258 18.142 904 H SER 125 H SER 125 -1.446 -0.314 15.271 905 HA SER 125 HA SER 125 -1.992 -1.308 13.339 906 HB2 SER 125 HB2 SER 125 -3.285 -3.361 15.143 907 HB3 SER 125 HB3 SER 125 -2.559 -3.652 13.548 908 HG SER 125 HG SER 125 -1.168 -2.645 15.824 909 H THR 126 H THR 126 -4.205 0.550 14.418 910 HA THR 126 HA THR 126 -6.726 -0.526 13.785 911 HB THR 126 HB THR 126 -6.294 1.514 15.084 912 HG1 THR 126 HG1 THR 126 -8.340 1.412 14.407 913 HG21 THR 126 HG21 THR 126 -4.556 2.503 13.468 914 HG22 THR 126 HG22 THR 126 -5.734 3.626 14.081 915 HG23 THR 126 HG23 THR 126 -5.923 2.986 12.439 916 H TYR 127 H TYR 127 -4.240 0.479 11.504 917 HA TYR 127 HA TYR 127 -6.216 -0.002 9.308 918 HB2 TYR 127 HB2 TYR 127 -5.402 1.801 8.015 919 HB3 TYR 127 HB3 TYR 127 -5.948 2.426 9.556 920 HD1 TYR 127 HD1 TYR 127 -3.266 2.528 7.188 921 HD2 TYR 127 HD2 TYR 127 -4.040 2.675 11.398 922 HE1 TYR 127 HE1 TYR 127 -1.103 3.679 7.543 923 HE2 TYR 127 HE2 TYR 127 -1.948 3.739 11.810 924 HH TYR 127 HH TYR 127 -0.164 4.732 10.899 925 H PHE 128 H PHE 128 -2.722 0.108 10.192 926 HA PHE 128 HA PHE 128 -2.279 -1.825 8.011 927 HB2 PHE 128 HB2 PHE 128 -0.920 0.692 8.653 928 HB3 PHE 128 HB3 PHE 128 0.178 -0.666 8.507 929 HD1 PHE 128 HD1 PHE 128 1.162 -0.931 6.411 930 HD2 PHE 128 HD2 PHE 128 -2.870 0.593 6.590 931 HE1 PHE 128 HE1 PHE 128 1.145 -0.708 3.973 932 HE2 PHE 128 HE2 PHE 128 -2.851 0.906 4.155 933 HZ PHE 128 HZ PHE 128 -0.842 0.264 2.818 934 H ASP 129 H ASP 129 0.142 -2.809 8.559 935 HA ASP 129 HA ASP 129 -0.209 -4.134 11.194 936 HB2 ASP 129 HB2 ASP 129 -0.241 -5.559 9.085 937 HB3 ASP 129 HB3 ASP 129 1.437 -5.076 8.812 938 H LEU 130 H LEU 130 1.511 -4.130 12.512 939 HA LEU 130 HA LEU 130 3.385 -1.893 12.329 940 HB2 LEU 130 HB2 LEU 130 3.919 -2.569 14.686 941 HB3 LEU 130 HB3 LEU 130 2.241 -2.206 14.357 942 HG LEU 130 HG LEU 130 1.773 -4.695 14.222 943 HD11 LEU 130 HD11 LEU 130 4.000 -5.596 13.773 944 HD12 LEU 130 HD12 LEU 130 3.388 -6.231 15.271 945 HD13 LEU 130 HD13 LEU 130 4.611 -4.932 15.307 946 HD21 LEU 130 HD21 LEU 130 1.257 -3.336 16.157 947 HD22 LEU 130 HD22 LEU 130 2.884 -3.600 16.817 948 HD23 LEU 130 HD23 LEU 130 1.738 -4.955 16.632 Start of MODEL 9 1 H1 ALA 1 H ALA 1 7.622 -18.318 -2.524 2 HA ALA 1 HA ALA 1 7.563 -17.008 -5.171 3 HB1 ALA 1 HB1 ALA 1 8.028 -15.282 -3.464 4 HB2 ALA 1 HB2 ALA 1 9.321 -16.300 -2.786 5 HB3 ALA 1 HB3 ALA 1 9.479 -15.613 -4.417 6 H THR 2 H THR 2 9.201 -17.602 -6.591 7 HA THR 2 HA THR 2 10.531 -20.135 -6.106 8 HB THR 2 HB THR 2 9.687 -19.839 -8.277 9 HG1 THR 2 HG1 THR 2 11.854 -20.588 -8.297 10 HG21 THR 2 HG21 THR 2 9.354 -17.375 -8.348 11 HG22 THR 2 HG22 THR 2 10.168 -17.965 -9.769 12 HG23 THR 2 HG23 THR 2 11.113 -17.154 -8.513 13 H GLN 3 H GLN 3 11.570 -16.711 -6.434 14 HA GLN 3 HA GLN 3 14.379 -17.411 -5.968 15 HB2 GLN 3 HB2 GLN 3 14.796 -15.038 -6.261 16 HB3 GLN 3 HB3 GLN 3 13.873 -15.697 -7.606 17 HG2 GLN 3 HG2 GLN 3 11.785 -14.705 -6.578 18 HG3 GLN 3 HG3 GLN 3 12.800 -13.951 -5.345 19 HE21 GLN 3 HE21 GLN 3 11.113 -12.423 -7.118 20 HE22 GLN 3 HE22 GLN 3 12.172 -11.444 -8.102 21 H SER 4 H SER 4 15.572 -16.355 -4.216 22 HA SER 4 HA SER 4 16.005 -16.430 -2.021 23 HB2 SER 4 HB2 SER 4 15.037 -14.408 -0.861 24 HB3 SER 4 HB3 SER 4 15.943 -14.158 -2.355 25 HG SER 4 HG SER 4 14.052 -12.917 -2.299 26 HA PRO 5 HA PRO 5 12.200 -18.914 -0.836 27 HB2 PRO 5 HB2 PRO 5 13.529 -21.280 -0.271 28 HB3 PRO 5 HB3 PRO 5 12.835 -20.845 -1.872 29 HG2 PRO 5 HG2 PRO 5 15.704 -20.516 -0.932 30 HG3 PRO 5 HG3 PRO 5 15.115 -21.209 -2.477 31 HD2 PRO 5 HD2 PRO 5 15.952 -18.662 -2.363 32 HD3 PRO 5 HD3 PRO 5 14.493 -19.083 -3.305 33 H GLY 6 H GLY 6 11.628 -18.222 1.118 34 HA2 GLY 6 HA2 GLY 6 11.817 -18.671 3.504 35 HA3 GLY 6 HA3 GLY 6 13.562 -18.370 3.383 36 H ASP 7 H ASP 7 12.388 -16.104 1.358 37 HA ASP 7 HA ASP 7 12.723 -14.000 3.319 38 HB2 ASP 7 HB2 ASP 7 12.275 -14.205 0.379 39 HB3 ASP 7 HB3 ASP 7 11.814 -12.702 1.170 40 H SER 8 H SER 8 11.112 -14.280 4.837 41 HA SER 8 HA SER 8 8.329 -14.578 4.178 42 HB2 SER 8 HB2 SER 8 9.467 -15.250 6.343 43 HB3 SER 8 HB3 SER 8 9.546 -13.521 6.751 44 HG SER 8 HG SER 8 7.668 -13.748 7.479 45 H ARG 9 H ARG 9 10.500 -11.769 4.696 46 HA ARG 9 HA ARG 9 8.554 -9.737 5.006 47 HB2 ARG 9 HB2 ARG 9 11.261 -9.714 3.589 48 HB3 ARG 9 HB3 ARG 9 10.321 -8.271 3.884 49 HG2 ARG 9 HG2 ARG 9 11.433 -10.084 6.075 50 HG3 ARG 9 HG3 ARG 9 12.190 -8.604 5.489 51 HD2 ARG 9 HD2 ARG 9 9.581 -8.917 6.967 52 HD3 ARG 9 HD3 ARG 9 11.059 -8.145 7.566 53 HE ARG 9 HE ARG 9 10.634 -6.537 5.517 54 HH11 ARG 9 HH11 ARG 9 8.110 -7.768 7.666 55 HH12 ARG 9 HH12 ARG 9 6.842 -6.853 6.904 56 HH21 ARG 9 HH21 ARG 9 9.136 -5.358 4.602 57 HH22 ARG 9 HH22 ARG 9 7.415 -5.514 5.014 58 H ARG 10 H ARG 10 9.944 -11.087 1.991 59 HA ARG 10 HA ARG 10 8.496 -9.577 0.162 60 HB2 ARG 10 HB2 ARG 10 9.356 -12.491 -0.068 61 HB3 ARG 10 HB3 ARG 10 8.804 -11.525 -1.416 62 HG2 ARG 10 HG2 ARG 10 11.218 -10.714 0.272 63 HG3 ARG 10 HG3 ARG 10 11.350 -11.811 -1.091 64 HD2 ARG 10 HD2 ARG 10 10.263 -8.981 -1.278 65 HD3 ARG 10 HD3 ARG 10 11.938 -9.450 -1.621 66 HE ARG 10 HE ARG 10 10.592 -11.168 -3.181 67 HH11 ARG 10 HH11 ARG 10 10.801 -7.652 -3.105 68 HH12 ARG 10 HH12 ARG 10 10.056 -7.411 -4.656 69 HH21 ARG 10 HH21 ARG 10 9.305 -10.853 -5.050 70 HH22 ARG 10 HH22 ARG 10 9.094 -9.277 -5.722 71 H LEU 11 H LEU 11 7.419 -12.632 1.786 72 HA LEU 11 HA LEU 11 4.950 -12.797 0.325 73 HB2 LEU 11 HB2 LEU 11 6.078 -14.131 2.809 74 HB3 LEU 11 HB3 LEU 11 4.351 -14.202 2.480 75 HG LEU 11 HG LEU 11 4.860 -15.051 0.161 76 HD11 LEU 11 HD11 LEU 11 7.211 -14.439 -0.092 77 HD12 LEU 11 HD12 LEU 11 7.042 -16.195 -0.174 78 HD13 LEU 11 HD13 LEU 11 7.641 -15.437 1.316 79 HD21 LEU 11 HD21 LEU 11 5.177 -17.354 0.909 80 HD22 LEU 11 HD22 LEU 11 4.117 -16.507 2.041 81 HD23 LEU 11 HD23 LEU 11 5.811 -16.775 2.477 82 H SER 12 H SER 12 5.836 -11.387 3.520 83 HA SER 12 HA SER 12 3.225 -10.703 4.366 84 HB2 SER 12 HB2 SER 12 5.911 -9.353 4.853 85 HB3 SER 12 HB3 SER 12 4.410 -8.912 5.675 86 HG SER 12 HG SER 12 5.252 -11.607 5.718 87 H ILE 13 H ILE 13 5.610 -8.790 2.469 88 HA ILE 13 HA ILE 13 3.946 -6.559 2.049 89 HB ILE 13 HB ILE 13 6.201 -7.633 0.290 90 HG12 ILE 13 HG12 ILE 13 6.296 -5.383 2.343 91 HG13 ILE 13 HG13 ILE 13 6.704 -7.028 2.745 92 HG21 ILE 13 HG21 ILE 13 6.336 -5.202 -0.497 93 HG22 ILE 13 HG22 ILE 13 4.937 -6.124 -1.017 94 HG23 ILE 13 HG23 ILE 13 4.773 -4.920 0.287 95 HD11 ILE 13 HD11 ILE 13 8.182 -5.331 0.711 96 HD12 ILE 13 HD12 ILE 13 8.749 -5.877 2.303 97 HD13 ILE 13 HD13 ILE 13 8.479 -7.060 1.015 98 H GLN 14 H GLN 14 4.261 -9.574 0.050 99 HA GLN 14 HA GLN 14 2.422 -8.759 -1.959 100 HB2 GLN 14 HB2 GLN 14 3.230 -11.501 -0.953 101 HB3 GLN 14 HB3 GLN 14 1.999 -11.296 -2.215 102 HG2 GLN 14 HG2 GLN 14 3.617 -10.001 -3.581 103 HG3 GLN 14 HG3 GLN 14 4.845 -10.245 -2.351 104 HE21 GLN 14 HE21 GLN 14 3.347 -11.641 -5.191 105 HE22 GLN 14 HE22 GLN 14 4.304 -13.114 -5.143 106 H ARG 15 H ARG 15 1.766 -10.333 1.220 107 HA ARG 15 HA ARG 15 -1.036 -10.754 0.728 108 HB2 ARG 15 HB2 ARG 15 0.536 -10.349 3.311 109 HB3 ARG 15 HB3 ARG 15 -1.211 -10.632 3.272 110 HG2 ARG 15 HG2 ARG 15 -0.832 -12.801 2.121 111 HG3 ARG 15 HG3 ARG 15 0.908 -12.531 2.208 112 HD2 ARG 15 HD2 ARG 15 0.246 -13.994 4.001 113 HD3 ARG 15 HD3 ARG 15 0.793 -12.470 4.672 114 HE ARG 15 HE ARG 15 -1.292 -12.008 5.464 115 HH11 ARG 15 HH11 ARG 15 -1.611 -14.810 3.266 116 HH12 ARG 15 HH12 ARG 15 -3.000 -15.440 4.057 117 HH21 ARG 15 HH21 ARG 15 -3.299 -12.756 6.364 118 HH22 ARG 15 HH22 ARG 15 -4.168 -14.039 5.606 119 H ALA 16 H ALA 16 0.772 -8.061 2.253 120 HA ALA 16 HA ALA 16 -1.465 -6.472 2.931 121 HB1 ALA 16 HB1 ALA 16 0.838 -6.151 3.787 122 HB2 ALA 16 HB2 ALA 16 1.351 -5.547 2.204 123 HB3 ALA 16 HB3 ALA 16 0.142 -4.644 3.147 124 H ILE 17 H ILE 17 0.593 -6.365 -0.019 125 HA ILE 17 HA ILE 17 -0.797 -4.285 -1.306 126 HB ILE 17 HB ILE 17 0.718 -6.674 -2.472 127 HG12 ILE 17 HG12 ILE 17 1.660 -3.782 -2.355 128 HG13 ILE 17 HG13 ILE 17 1.887 -4.844 -0.976 129 HG21 ILE 17 HG21 ILE 17 -0.054 -4.091 -3.902 130 HG22 ILE 17 HG22 ILE 17 0.985 -5.359 -4.568 131 HG23 ILE 17 HG23 ILE 17 -0.720 -5.700 -4.263 132 HD11 ILE 17 HD11 ILE 17 3.173 -6.417 -2.348 133 HD12 ILE 17 HD12 ILE 17 2.967 -5.396 -3.772 134 HD13 ILE 17 HD13 ILE 17 3.852 -4.762 -2.375 135 H GLN 18 H GLN 18 -1.364 -7.856 -1.569 136 HA GLN 18 HA GLN 18 -3.559 -7.653 -3.363 137 HB2 GLN 18 HB2 GLN 18 -2.743 -9.779 -1.334 138 HB3 GLN 18 HB3 GLN 18 -4.183 -9.916 -2.340 139 HG2 GLN 18 HG2 GLN 18 -2.762 -9.546 -4.383 140 HG3 GLN 18 HG3 GLN 18 -1.324 -9.683 -3.350 141 HE21 GLN 18 HE21 GLN 18 -1.371 -11.835 -1.904 142 HE22 GLN 18 HE22 GLN 18 -1.976 -13.246 -2.744 143 H SER 19 H SER 19 -3.445 -7.505 0.207 144 HA SER 19 HA SER 19 -6.306 -7.567 0.537 145 HB2 SER 19 HB2 SER 19 -4.173 -6.338 2.340 146 HB3 SER 19 HB3 SER 19 -5.837 -6.726 2.786 147 HG SER 19 HG SER 19 -3.871 -8.597 1.897 148 H LEU 20 H LEU 20 -3.966 -4.905 0.038 149 HA LEU 20 HA LEU 20 -5.889 -2.861 0.626 150 HB2 LEU 20 HB2 LEU 20 -3.207 -2.881 0.490 151 HB3 LEU 20 HB3 LEU 20 -3.513 -2.268 -1.131 152 HG LEU 20 HG LEU 20 -4.720 -1.115 1.427 153 HD11 LEU 20 HD11 LEU 20 -2.294 -0.952 1.475 154 HD12 LEU 20 HD12 LEU 20 -3.036 0.627 1.309 155 HD13 LEU 20 HD13 LEU 20 -2.293 -0.151 -0.119 156 HD21 LEU 20 HD21 LEU 20 -6.061 -0.475 -0.495 157 HD22 LEU 20 HD22 LEU 20 -4.599 0.071 -1.364 158 HD23 LEU 20 HD23 LEU 20 -5.172 0.898 0.109 159 H VAL 21 H VAL 21 -4.523 -4.015 -2.543 160 HA VAL 21 HA VAL 21 -6.188 -2.406 -4.143 161 HB VAL 21 HB VAL 21 -4.276 -3.648 -5.033 162 HG11 VAL 21 HG11 VAL 21 -4.245 -5.973 -5.520 163 HG12 VAL 21 HG12 VAL 21 -4.669 -5.816 -3.817 164 HG13 VAL 21 HG13 VAL 21 -5.925 -6.201 -5.001 165 HG21 VAL 21 HG21 VAL 21 -6.954 -4.176 -6.391 166 HG22 VAL 21 HG22 VAL 21 -5.752 -2.911 -6.733 167 HG23 VAL 21 HG23 VAL 21 -5.430 -4.609 -7.126 168 H HIS 22 H HIS 22 -6.828 -5.645 -2.717 169 HA HIS 22 HA HIS 22 -9.346 -5.971 -3.938 170 HB2 HIS 22 HB2 HIS 22 -8.157 -7.814 -2.939 171 HB3 HIS 22 HB3 HIS 22 -8.154 -7.032 -1.352 172 HD1 HIS 22 HD1 HIS 22 -11.063 -7.955 -3.812 173 HD2 HIS 22 HD2 HIS 22 -9.890 -7.900 0.255 174 HE1 HIS 22 HE1 HIS 22 -13.021 -8.864 -2.471 175 H ALA 23 H ALA 23 -8.583 -4.676 -0.586 176 HA ALA 23 HA ALA 23 -11.262 -4.164 0.083 177 HB1 ALA 23 HB1 ALA 23 -8.735 -2.732 0.971 178 HB2 ALA 23 HB2 ALA 23 -10.306 -2.611 1.792 179 HB3 ALA 23 HB3 ALA 23 -9.479 -4.173 1.720 180 H ALA 24 H ALA 24 -9.063 -2.258 -1.939 181 HA ALA 24 HA ALA 24 -10.554 0.165 -1.801 182 HB1 ALA 24 HB1 ALA 24 -8.595 -0.891 -3.869 183 HB2 ALA 24 HB2 ALA 24 -9.182 0.791 -3.813 184 HB3 ALA 24 HB3 ALA 24 -8.192 0.142 -2.484 185 H GLN 25 H GLN 25 -11.173 -2.766 -3.591 186 HA GLN 25 HA GLN 25 -13.423 -1.353 -4.969 187 HB2 GLN 25 HB2 GLN 25 -13.232 -2.952 -6.758 188 HB3 GLN 25 HB3 GLN 25 -11.790 -1.941 -6.614 189 HG2 GLN 25 HG2 GLN 25 -10.501 -3.755 -5.718 190 HG3 GLN 25 HG3 GLN 25 -11.927 -4.744 -5.428 191 HE21 GLN 25 HE21 GLN 25 -11.111 -6.540 -6.812 192 HE22 GLN 25 HE22 GLN 25 -10.964 -6.292 -8.555 193 H CYS 26 H CYS 26 -12.683 -3.594 -2.629 194 HA CYS 26 HA CYS 26 -14.500 -5.697 -3.058 195 HB2 CYS 26 HB2 CYS 26 -12.722 -5.822 -1.446 196 HB3 CYS 26 HB3 CYS 26 -13.506 -4.569 -0.467 197 H ARG 27 H ARG 27 -16.427 -5.446 -3.600 198 HA ARG 27 HA ARG 27 -18.329 -3.685 -2.106 199 HB2 ARG 27 HB2 ARG 27 -19.616 -3.503 -4.121 200 HB3 ARG 27 HB3 ARG 27 -17.944 -3.039 -4.395 201 HG2 ARG 27 HG2 ARG 27 -18.047 -5.810 -5.083 202 HG3 ARG 27 HG3 ARG 27 -19.569 -5.153 -5.658 203 HD2 ARG 27 HD2 ARG 27 -16.759 -4.226 -6.358 204 HD3 ARG 27 HD3 ARG 27 -17.915 -5.037 -7.426 205 HE ARG 27 HE ARG 27 -19.163 -2.697 -6.479 206 HH11 ARG 27 HH11 ARG 27 -16.260 -3.380 -8.409 207 HH12 ARG 27 HH12 ARG 27 -16.379 -1.904 -9.324 208 HH21 ARG 27 HH21 ARG 27 -19.227 -0.788 -7.505 209 HH22 ARG 27 HH22 ARG 27 -18.193 -0.380 -8.852 210 H ASN 28 H ASN 28 -17.564 -6.959 -2.778 211 HA ASN 28 HA ASN 28 -20.284 -8.003 -2.644 212 HB2 ASN 28 HB2 ASN 28 -17.523 -9.272 -2.507 213 HB3 ASN 28 HB3 ASN 28 -18.988 -10.201 -2.201 214 HD21 ASN 28 HD21 ASN 28 -20.385 -10.770 -3.990 215 HD22 ASN 28 HD22 ASN 28 -20.127 -10.115 -5.609 216 H ALA 29 H ALA 29 -21.491 -8.169 -0.838 217 HA ALA 29 HA ALA 29 -20.554 -7.367 1.712 218 HB1 ALA 29 HB1 ALA 29 -22.902 -7.185 0.928 219 HB2 ALA 29 HB2 ALA 29 -23.050 -8.953 0.983 220 HB3 ALA 29 HB3 ALA 29 -22.779 -8.027 2.478 221 H ASN 30 H ASN 30 -20.700 -10.488 0.208 222 HA ASN 30 HA ASN 30 -20.446 -12.230 2.424 223 HB2 ASN 30 HB2 ASN 30 -20.982 -12.796 0.021 224 HB3 ASN 30 HB3 ASN 30 -19.296 -12.463 -0.380 225 HD21 ASN 30 HD21 ASN 30 -18.430 -14.471 -0.903 226 HD22 ASN 30 HD22 ASN 30 -18.724 -15.920 0.037 227 H CYS 31 H CYS 31 -18.047 -10.105 1.059 228 HA CYS 31 HA CYS 31 -15.757 -11.725 1.626 229 HB2 CYS 31 HB2 CYS 31 -16.200 -9.139 0.450 230 HB3 CYS 31 HB3 CYS 31 -15.192 -8.879 1.864 231 H SER 32 H SER 32 -14.932 -12.291 3.469 232 HA SER 32 HA SER 32 -14.956 -10.494 5.818 233 HB2 SER 32 HB2 SER 32 -16.247 -13.213 5.566 234 HB3 SER 32 HB3 SER 32 -15.504 -12.739 7.114 235 HG SER 32 HG SER 32 -17.858 -12.101 6.502 236 H LEU 33 H LEU 33 -12.846 -10.121 5.885 237 HA LEU 33 HA LEU 33 -10.963 -12.229 6.433 238 HB2 LEU 33 HB2 LEU 33 -10.708 -10.380 4.034 239 HB3 LEU 33 HB3 LEU 33 -9.275 -10.923 4.888 240 HG LEU 33 HG LEU 33 -11.307 -12.772 3.582 241 HD11 LEU 33 HD11 LEU 33 -10.120 -11.395 1.910 242 HD12 LEU 33 HD12 LEU 33 -9.602 -13.086 1.835 243 HD13 LEU 33 HD13 LEU 33 -8.561 -11.879 2.612 244 HD21 LEU 33 HD21 LEU 33 -10.120 -13.921 5.392 245 HD22 LEU 33 HD22 LEU 33 -8.558 -13.297 4.794 246 HD23 LEU 33 HD23 LEU 33 -9.503 -14.463 3.842 247 HA PRO 34 HA PRO 34 -10.342 -8.886 9.251 248 HB2 PRO 34 HB2 PRO 34 -7.740 -9.202 10.131 249 HB3 PRO 34 HB3 PRO 34 -9.116 -10.222 10.646 250 HG2 PRO 34 HG2 PRO 34 -7.080 -10.783 8.484 251 HG3 PRO 34 HG3 PRO 34 -7.659 -11.893 9.769 252 HD2 PRO 34 HD2 PRO 34 -8.667 -12.011 7.248 253 HD3 PRO 34 HD3 PRO 34 -9.728 -12.229 8.672 254 H SER 35 H SER 35 -7.640 -9.309 6.842 255 HA SER 35 HA SER 35 -6.857 -6.581 6.960 256 HB2 SER 35 HB2 SER 35 -5.725 -7.035 4.819 257 HB3 SER 35 HB3 SER 35 -5.308 -8.130 6.123 258 HG SER 35 HG SER 35 -5.906 -8.917 3.829 259 H CYS 36 H CYS 36 -9.062 -8.297 4.754 260 HA CYS 36 HA CYS 36 -9.656 -6.214 2.970 261 HB2 CYS 36 HB2 CYS 36 -10.394 -8.567 2.711 262 HB3 CYS 36 HB3 CYS 36 -11.503 -8.371 4.089 263 H GLN 37 H GLN 37 -11.439 -7.105 5.925 264 HA GLN 37 HA GLN 37 -13.230 -4.923 5.897 265 HB2 GLN 37 HB2 GLN 37 -12.284 -6.677 8.169 266 HB3 GLN 37 HB3 GLN 37 -13.715 -5.643 8.249 267 HG2 GLN 37 HG2 GLN 37 -13.468 -7.827 6.134 268 HG3 GLN 37 HG3 GLN 37 -13.976 -8.174 7.770 269 HE21 GLN 37 HE21 GLN 37 -16.020 -8.938 6.730 270 HE22 GLN 37 HE22 GLN 37 -17.203 -7.793 6.200 271 H LYS 38 H LYS 38 -10.146 -5.277 7.839 272 HA LYS 38 HA LYS 38 -10.544 -2.683 9.021 273 HB2 LYS 38 HB2 LYS 38 -8.398 -2.861 9.970 274 HB3 LYS 38 HB3 LYS 38 -9.082 -4.485 9.958 275 HG2 LYS 38 HG2 LYS 38 -7.787 -4.750 7.710 276 HG3 LYS 38 HG3 LYS 38 -6.885 -3.327 8.205 277 HD2 LYS 38 HD2 LYS 38 -7.132 -5.913 9.820 278 HD3 LYS 38 HD3 LYS 38 -5.800 -5.533 8.723 279 HE2 LYS 38 HE2 LYS 38 -5.273 -3.503 10.074 280 HE3 LYS 38 HE3 LYS 38 -6.544 -3.962 11.219 281 HZ1 LYS 38 HZ1 LYS 38 -4.188 -5.632 10.539 282 HZ2 LYS 38 HZ2 LYS 38 -5.337 -5.971 11.698 283 HZ3 LYS 38 HZ3 LYS 38 -4.300 -4.678 11.836 284 H MET 39 H MET 39 -8.944 -3.666 5.959 285 HA MET 39 HA MET 39 -7.731 -1.181 5.423 286 HB2 MET 39 HB2 MET 39 -8.619 -3.458 3.666 287 HB3 MET 39 HB3 MET 39 -7.942 -1.973 2.988 288 HG2 MET 39 HG2 MET 39 -6.472 -3.680 5.013 289 HG3 MET 39 HG3 MET 39 -6.321 -3.836 3.263 290 HE1 MET 39 HE1 MET 39 -3.921 -3.347 2.674 291 HE2 MET 39 HE2 MET 39 -2.899 -2.253 3.628 292 HE3 MET 39 HE3 MET 39 -3.668 -3.658 4.407 293 H LYS 40 H LYS 40 -11.095 -2.283 5.056 294 HA LYS 40 HA LYS 40 -12.026 -0.392 3.242 295 HB2 LYS 40 HB2 LYS 40 -13.589 -1.207 5.738 296 HB3 LYS 40 HB3 LYS 40 -14.241 -0.524 4.275 297 HG2 LYS 40 HG2 LYS 40 -13.116 -3.267 4.670 298 HG3 LYS 40 HG3 LYS 40 -14.786 -2.849 4.302 299 HD2 LYS 40 HD2 LYS 40 -13.997 -2.126 2.003 300 HD3 LYS 40 HD3 LYS 40 -12.366 -2.587 2.524 301 HE2 LYS 40 HE2 LYS 40 -12.941 -4.462 1.383 302 HE3 LYS 40 HE3 LYS 40 -13.286 -4.922 3.034 303 HZ1 LYS 40 HZ1 LYS 40 -15.598 -4.713 2.618 304 HZ2 LYS 40 HZ2 LYS 40 -14.975 -5.487 1.312 305 HZ3 LYS 40 HZ3 LYS 40 -15.381 -3.932 1.170 306 H ARG 41 H ARG 41 -10.998 0.113 6.509 307 HA ARG 41 HA ARG 41 -12.319 2.695 7.014 308 HB2 ARG 41 HB2 ARG 41 -9.770 1.475 8.221 309 HB3 ARG 41 HB3 ARG 41 -10.654 2.850 8.840 310 HG2 ARG 41 HG2 ARG 41 -12.539 1.428 9.496 311 HG3 ARG 41 HG3 ARG 41 -11.835 0.046 8.659 312 HD2 ARG 41 HD2 ARG 41 -11.352 -0.185 11.036 313 HD3 ARG 41 HD3 ARG 41 -9.860 0.085 10.144 314 HE ARG 41 HE ARG 41 -9.533 2.087 11.165 315 HH11 ARG 41 HH11 ARG 41 -12.890 1.110 11.856 316 HH12 ARG 41 HH12 ARG 41 -13.222 2.499 12.844 317 HH21 ARG 41 HH21 ARG 41 -9.870 3.623 12.836 318 HH22 ARG 41 HH22 ARG 41 -11.438 3.897 13.512 319 H VAL 42 H VAL 42 -8.910 1.756 6.236 320 HA VAL 42 HA VAL 42 -8.137 4.481 5.873 321 HB VAL 42 HB VAL 42 -6.065 3.466 4.777 322 HG11 VAL 42 HG11 VAL 42 -5.232 2.735 6.952 323 HG12 VAL 42 HG12 VAL 42 -6.215 4.195 7.115 324 HG13 VAL 42 HG13 VAL 42 -6.891 2.625 7.589 325 HG21 VAL 42 HG21 VAL 42 -7.029 1.228 4.129 326 HG22 VAL 42 HG22 VAL 42 -5.628 1.094 5.181 327 HG23 VAL 42 HG23 VAL 42 -7.226 0.848 5.864 328 H VAL 43 H VAL 43 -9.311 2.026 3.490 329 HA VAL 43 HA VAL 43 -8.657 3.768 1.328 330 HB VAL 43 HB VAL 43 -10.201 2.414 -0.054 331 HG11 VAL 43 HG11 VAL 43 -8.500 0.706 1.806 332 HG12 VAL 43 HG12 VAL 43 -9.123 0.227 0.220 333 HG13 VAL 43 HG13 VAL 43 -7.958 1.543 0.334 334 HG21 VAL 43 HG21 VAL 43 -11.134 1.330 2.541 335 HG22 VAL 43 HG22 VAL 43 -12.085 2.057 1.224 336 HG23 VAL 43 HG23 VAL 43 -11.367 0.455 1.010 337 H GLN 44 H GLN 44 -11.626 3.491 3.403 338 HA GLN 44 HA GLN 44 -13.193 5.362 2.047 339 HB2 GLN 44 HB2 GLN 44 -13.024 4.327 4.864 340 HB3 GLN 44 HB3 GLN 44 -13.868 5.842 4.671 341 HG2 GLN 44 HG2 GLN 44 -15.399 4.867 3.039 342 HG3 GLN 44 HG3 GLN 44 -14.535 3.324 3.100 343 HE21 GLN 44 HE21 GLN 44 -14.313 2.391 5.410 344 HE22 GLN 44 HE22 GLN 44 -15.718 2.553 6.469 345 H HIS 45 H HIS 45 -10.853 5.903 4.705 346 HA HIS 45 HA HIS 45 -11.088 8.691 4.845 347 HB2 HIS 45 HB2 HIS 45 -10.011 7.389 6.571 348 HB3 HIS 45 HB3 HIS 45 -8.798 6.779 5.446 349 HD1 HIS 45 HD1 HIS 45 -9.666 9.941 7.421 350 HD2 HIS 45 HD2 HIS 45 -6.765 8.420 4.751 351 HE1 HIS 45 HE1 HIS 45 -7.723 11.588 7.406 352 H THR 46 H THR 46 -8.640 6.780 2.992 353 HA THR 46 HA THR 46 -7.418 9.071 1.846 354 HB THR 46 HB THR 46 -6.367 7.437 0.286 355 HG1 THR 46 HG1 THR 46 -7.907 5.579 1.800 356 HG21 THR 46 HG21 THR 46 -6.458 6.527 3.203 357 HG22 THR 46 HG22 THR 46 -5.498 7.917 2.616 358 HG23 THR 46 HG23 THR 46 -5.146 6.267 2.073 359 H LYS 47 H LYS 47 -10.123 7.101 0.596 360 HA LYS 47 HA LYS 47 -10.274 8.340 -1.975 361 HB2 LYS 47 HB2 LYS 47 -12.316 6.942 -0.186 362 HB3 LYS 47 HB3 LYS 47 -12.750 7.559 -1.783 363 HG2 LYS 47 HG2 LYS 47 -11.403 6.029 -2.927 364 HG3 LYS 47 HG3 LYS 47 -10.330 5.781 -1.560 365 HD2 LYS 47 HD2 LYS 47 -11.492 3.771 -1.880 366 HD3 LYS 47 HD3 LYS 47 -12.096 4.453 -0.392 367 HE2 LYS 47 HE2 LYS 47 -14.188 4.651 -1.085 368 HE3 LYS 47 HE3 LYS 47 -13.730 5.173 -2.734 369 HZ1 LYS 47 HZ1 LYS 47 -13.638 2.382 -1.732 370 HZ2 LYS 47 HZ2 LYS 47 -13.195 2.888 -3.234 371 HZ3 LYS 47 HZ3 LYS 47 -14.767 2.988 -2.753 372 H GLY 48 H GLY 48 -11.983 9.099 1.126 373 HA2 GLY 48 HA2 GLY 48 -13.182 11.476 0.045 374 HA3 GLY 48 HA3 GLY 48 -13.164 10.941 1.715 375 H CYS 49 H CYS 49 -9.909 11.024 1.342 376 HA CYS 49 HA CYS 49 -9.619 13.413 2.696 377 HB2 CYS 49 HB2 CYS 49 -7.909 11.228 1.700 378 HB3 CYS 49 HB3 CYS 49 -7.125 12.752 1.500 379 H LYS 50 H LYS 50 -9.730 15.417 2.100 380 HA LYS 50 HA LYS 50 -8.956 16.117 -0.700 381 HB2 LYS 50 HB2 LYS 50 -10.898 17.516 1.190 382 HB3 LYS 50 HB3 LYS 50 -10.422 18.151 -0.379 383 HG2 LYS 50 HG2 LYS 50 -11.909 15.582 0.182 384 HG3 LYS 50 HG3 LYS 50 -12.625 17.061 -0.425 385 HD2 LYS 50 HD2 LYS 50 -11.469 16.876 -2.538 386 HD3 LYS 50 HD3 LYS 50 -10.500 15.506 -1.981 387 HE2 LYS 50 HE2 LYS 50 -13.534 15.490 -2.117 388 HE3 LYS 50 HE3 LYS 50 -12.484 14.886 -3.405 389 HZ1 LYS 50 HZ1 LYS 50 -13.221 13.126 -1.912 390 HZ2 LYS 50 HZ2 LYS 50 -12.527 13.870 -0.630 391 HZ3 LYS 50 HZ3 LYS 50 -11.588 13.281 -1.874 392 H ARG 51 H ARG 51 -8.347 16.578 2.610 393 HA ARG 51 HA ARG 51 -6.851 18.919 2.736 394 HB2 ARG 51 HB2 ARG 51 -5.815 17.890 4.757 395 HB3 ARG 51 HB3 ARG 51 -7.558 17.680 4.687 396 HG2 ARG 51 HG2 ARG 51 -7.141 15.320 3.751 397 HG3 ARG 51 HG3 ARG 51 -5.435 15.554 4.131 398 HD2 ARG 51 HD2 ARG 51 -7.764 15.655 6.098 399 HD3 ARG 51 HD3 ARG 51 -6.693 14.291 5.864 400 HE ARG 51 HE ARG 51 -4.853 16.071 6.423 401 HH11 ARG 51 HH11 ARG 51 -8.036 15.839 8.085 402 HH12 ARG 51 HH12 ARG 51 -7.462 16.454 9.566 403 HH21 ARG 51 HH21 ARG 51 -4.053 16.679 8.409 404 HH22 ARG 51 HH22 ARG 51 -5.056 16.893 9.787 405 H LYS 52 H LYS 52 -6.011 16.023 1.147 406 HA LYS 52 HA LYS 52 -3.272 15.773 1.292 407 HB2 LYS 52 HB2 LYS 52 -5.150 15.369 -1.030 408 HB3 LYS 52 HB3 LYS 52 -3.456 14.859 -1.062 409 HG2 LYS 52 HG2 LYS 52 -3.762 13.247 0.653 410 HG3 LYS 52 HG3 LYS 52 -5.288 13.952 1.193 411 HD2 LYS 52 HD2 LYS 52 -5.772 11.925 -0.038 412 HD3 LYS 52 HD3 LYS 52 -6.361 13.336 -0.913 413 HE2 LYS 52 HE2 LYS 52 -5.458 11.708 -2.415 414 HE3 LYS 52 HE3 LYS 52 -4.541 13.217 -2.505 415 HZ1 LYS 52 HZ1 LYS 52 -3.165 11.253 -2.520 416 HZ2 LYS 52 HZ2 LYS 52 -3.709 10.812 -1.011 417 HZ3 LYS 52 HZ3 LYS 52 -2.790 12.178 -1.209 418 H THR 53 H THR 53 -4.953 18.426 -0.319 419 HA THR 53 HA THR 53 -3.018 19.215 -2.142 420 HB THR 53 HB THR 53 -4.458 21.194 -0.338 421 HG1 THR 53 HG1 THR 53 -5.536 19.530 -2.345 422 HG21 THR 53 HG21 THR 53 -2.978 22.131 -2.058 423 HG22 THR 53 HG22 THR 53 -4.678 22.490 -2.417 424 HG23 THR 53 HG23 THR 53 -3.809 21.207 -3.309 425 H ASN 54 H ASN 54 -3.191 20.131 1.383 426 HA ASN 54 HA ASN 54 -0.242 20.640 1.245 427 HB2 ASN 54 HB2 ASN 54 -2.145 22.181 3.028 428 HB3 ASN 54 HB3 ASN 54 -0.440 22.489 2.740 429 HD21 ASN 54 HD21 ASN 54 0.109 23.771 0.845 430 HD22 ASN 54 HD22 ASN 54 -1.122 24.372 -0.251 431 H GLY 55 H GLY 55 -2.838 20.331 3.710 432 HA2 GLY 55 HA2 GLY 55 -1.291 18.891 5.528 433 HA3 GLY 55 HA3 GLY 55 -3.014 19.228 5.612 434 H GLY 56 H GLY 56 -1.181 17.207 3.295 435 HA2 GLY 56 HA2 GLY 56 -3.142 15.037 3.431 436 HA3 GLY 56 HA3 GLY 56 -1.556 14.992 2.606 437 H CYS 57 H CYS 57 -3.287 13.765 5.221 438 HA CYS 57 HA CYS 57 -1.401 13.702 7.341 439 HB2 CYS 57 HB2 CYS 57 -3.040 11.556 7.774 440 HB3 CYS 57 HB3 CYS 57 -3.353 13.223 8.213 441 HA PRO 58 HA PRO 58 1.414 10.580 6.317 442 HB2 PRO 58 HB2 PRO 58 1.523 8.787 8.438 443 HB3 PRO 58 HB3 PRO 58 2.255 10.417 8.414 444 HG2 PRO 58 HG2 PRO 58 -0.425 9.589 9.560 445 HG3 PRO 58 HG3 PRO 58 0.827 10.635 10.305 446 HD2 PRO 58 HD2 PRO 58 -1.319 11.709 9.074 447 HD3 PRO 58 HD3 PRO 58 0.286 12.467 8.879 448 H ILE 59 H ILE 59 -1.773 9.216 7.293 449 HA ILE 59 HA ILE 59 -1.397 6.619 6.217 450 HB ILE 59 HB ILE 59 -3.952 8.288 6.292 451 HG12 ILE 59 HG12 ILE 59 -2.913 6.173 8.234 452 HG13 ILE 59 HG13 ILE 59 -2.832 7.916 8.515 453 HG21 ILE 59 HG21 ILE 59 -5.183 6.163 6.077 454 HG22 ILE 59 HG22 ILE 59 -4.144 6.359 4.679 455 HG23 ILE 59 HG23 ILE 59 -3.650 5.261 5.981 456 HD11 ILE 59 HD11 ILE 59 -4.680 7.078 9.728 457 HD12 ILE 59 HD12 ILE 59 -5.329 8.027 8.378 458 HD13 ILE 59 HD13 ILE 59 -5.357 6.239 8.332 459 H CYS 60 H CYS 60 -2.431 9.677 4.630 460 HA CYS 60 HA CYS 60 -2.910 8.614 2.084 461 HB2 CYS 60 HB2 CYS 60 -2.054 11.381 3.080 462 HB3 CYS 60 HB3 CYS 60 -2.574 11.083 1.438 463 H LYS 61 H LYS 61 0.057 9.877 3.559 464 HA LYS 61 HA LYS 61 1.705 9.667 1.208 465 HB2 LYS 61 HB2 LYS 61 2.124 11.005 3.413 466 HB3 LYS 61 HB3 LYS 61 2.720 9.479 4.072 467 HG2 LYS 61 HG2 LYS 61 4.315 9.422 2.007 468 HG3 LYS 61 HG3 LYS 61 3.787 11.075 1.717 469 HD2 LYS 61 HD2 LYS 61 5.833 11.242 2.885 470 HD3 LYS 61 HD3 LYS 61 4.588 11.652 4.072 471 HE2 LYS 61 HE2 LYS 61 4.734 9.342 5.000 472 HE3 LYS 61 HE3 LYS 61 5.926 8.919 3.763 473 HZ1 LYS 61 HZ1 LYS 61 7.470 10.445 4.741 474 HZ2 LYS 61 HZ2 LYS 61 6.888 9.461 5.924 475 HZ3 LYS 61 HZ3 LYS 61 6.350 11.009 5.818 476 H GLN 62 H GLN 62 1.192 7.476 4.026 477 HA GLN 62 HA GLN 62 2.980 5.434 3.141 478 HB2 GLN 62 HB2 GLN 62 0.624 5.378 5.053 479 HB3 GLN 62 HB3 GLN 62 1.770 4.056 4.843 480 HG2 GLN 62 HG2 GLN 62 2.533 6.830 5.850 481 HG3 GLN 62 HG3 GLN 62 2.150 5.460 6.879 482 HE21 GLN 62 HE21 GLN 62 4.072 4.991 7.856 483 HE22 GLN 62 HE22 GLN 62 5.529 4.545 6.988 484 H LEU 63 H LEU 63 -0.549 5.886 2.562 485 HA LEU 63 HA LEU 63 -1.051 3.393 1.396 486 HB2 LEU 63 HB2 LEU 63 -2.863 4.993 1.795 487 HB3 LEU 63 HB3 LEU 63 -2.178 6.119 0.602 488 HG LEU 63 HG LEU 63 -2.666 4.641 -1.242 489 HD11 LEU 63 HD11 LEU 63 -4.005 2.569 -0.954 490 HD12 LEU 63 HD12 LEU 63 -3.765 2.699 0.817 491 HD13 LEU 63 HD13 LEU 63 -2.393 2.405 -0.274 492 HD21 LEU 63 HD21 LEU 63 -4.482 6.124 -0.285 493 HD22 LEU 63 HD22 LEU 63 -5.094 4.702 0.567 494 HD23 LEU 63 HD23 LEU 63 -5.080 4.730 -1.202 495 H ILE 64 H ILE 64 0.144 6.364 -0.206 496 HA ILE 64 HA ILE 64 0.297 5.293 -2.796 497 HB ILE 64 HB ILE 64 1.419 7.684 -1.380 498 HG12 ILE 64 HG12 ILE 64 -0.319 7.421 -3.903 499 HG13 ILE 64 HG13 ILE 64 -0.968 7.334 -2.254 500 HG21 ILE 64 HG21 ILE 64 3.238 7.135 -2.854 501 HG22 ILE 64 HG22 ILE 64 2.149 6.895 -4.229 502 HG23 ILE 64 HG23 ILE 64 2.375 8.519 -3.527 503 HD11 ILE 64 HD11 ILE 64 -0.060 9.600 -1.766 504 HD12 ILE 64 HD12 ILE 64 0.349 9.744 -3.488 505 HD13 ILE 64 HD13 ILE 64 -1.348 9.529 -2.973 506 H ALA 65 H ALA 65 2.560 4.892 -0.084 507 HA ALA 65 HA ALA 65 4.757 4.037 -1.686 508 HB1 ALA 65 HB1 ALA 65 4.981 4.710 0.695 509 HB2 ALA 65 HB2 ALA 65 4.122 3.231 1.187 510 HB3 ALA 65 HB3 ALA 65 5.684 3.121 0.365 511 H LEU 66 H LEU 66 2.135 2.146 -0.053 512 HA LEU 66 HA LEU 66 3.118 -0.386 -1.195 513 HB2 LEU 66 HB2 LEU 66 1.858 0.028 1.071 514 HB3 LEU 66 HB3 LEU 66 0.405 0.040 0.065 515 HG LEU 66 HG LEU 66 1.251 -2.217 -0.883 516 HD11 LEU 66 HD11 LEU 66 2.744 -3.514 0.656 517 HD12 LEU 66 HD12 LEU 66 3.046 -2.039 1.574 518 HD13 LEU 66 HD13 LEU 66 3.596 -2.179 -0.120 519 HD21 LEU 66 HD21 LEU 66 -0.625 -2.132 0.575 520 HD22 LEU 66 HD22 LEU 66 0.415 -1.946 2.017 521 HD23 LEU 66 HD23 LEU 66 0.401 -3.463 1.093 522 H ALA 67 H ALA 67 0.546 1.990 -1.949 523 HA ALA 67 HA ALA 67 -0.885 0.471 -3.868 524 HB1 ALA 67 HB1 ALA 67 -0.453 3.472 -3.645 525 HB2 ALA 67 HB2 ALA 67 -1.669 2.725 -4.677 526 HB3 ALA 67 HB3 ALA 67 -1.781 2.530 -2.925 527 H ALA 68 H ALA 68 2.168 2.284 -4.119 528 HA ALA 68 HA ALA 68 2.327 2.286 -6.967 529 HB1 ALA 68 HB1 ALA 68 4.558 2.309 -4.871 530 HB2 ALA 68 HB2 ALA 68 4.742 2.714 -6.594 531 HB3 ALA 68 HB3 ALA 68 3.755 3.742 -5.555 532 H TYR 69 H TYR 69 3.156 -0.188 -4.521 533 HA TYR 69 HA TYR 69 4.660 -1.813 -6.363 534 HB2 TYR 69 HB2 TYR 69 3.420 -2.307 -3.647 535 HB3 TYR 69 HB3 TYR 69 3.935 -3.637 -4.673 536 HD1 TYR 69 HD1 TYR 69 5.687 -0.286 -4.322 537 HD2 TYR 69 HD2 TYR 69 5.723 -4.539 -3.543 538 HE1 TYR 69 HE1 TYR 69 8.077 -0.158 -3.835 539 HE2 TYR 69 HE2 TYR 69 8.129 -4.407 -2.983 540 HH TYR 69 HH TYR 69 10.018 -1.338 -3.250 541 H HIS 70 H HIS 70 1.174 -1.642 -5.485 542 HA HIS 70 HA HIS 70 0.427 -3.899 -7.090 543 HB2 HIS 70 HB2 HIS 70 -1.232 -3.183 -5.595 544 HB3 HIS 70 HB3 HIS 70 -0.991 -1.491 -5.938 545 HD1 HIS 70 HD1 HIS 70 -2.871 -4.516 -7.314 546 HD2 HIS 70 HD2 HIS 70 -2.146 -0.470 -8.148 547 HE1 HIS 70 HE1 HIS 70 -4.463 -3.869 -9.177 548 H ALA 71 H ALA 71 0.849 -0.410 -7.824 549 HA ALA 71 HA ALA 71 -0.082 -0.450 -10.427 550 HB1 ALA 71 HB1 ALA 71 0.434 1.584 -9.081 551 HB2 ALA 71 HB2 ALA 71 2.166 1.319 -9.409 552 HB3 ALA 71 HB3 ALA 71 1.052 1.654 -10.743 553 H LYS 72 H LYS 72 2.983 -1.872 -9.443 554 HA LYS 72 HA LYS 72 3.974 -1.750 -12.242 555 HB2 LYS 72 HB2 LYS 72 5.907 -3.083 -11.388 556 HB3 LYS 72 HB3 LYS 72 5.787 -1.461 -10.778 557 HG2 LYS 72 HG2 LYS 72 5.104 -2.189 -8.628 558 HG3 LYS 72 HG3 LYS 72 4.744 -3.832 -9.213 559 HD2 LYS 72 HD2 LYS 72 7.045 -4.325 -9.565 560 HD3 LYS 72 HD3 LYS 72 7.557 -2.653 -9.289 561 HE2 LYS 72 HE2 LYS 72 6.021 -4.135 -7.137 562 HE3 LYS 72 HE3 LYS 72 7.739 -4.482 -7.369 563 HZ1 LYS 72 HZ1 LYS 72 6.874 -1.686 -7.088 564 HZ2 LYS 72 HZ2 LYS 72 8.329 -2.317 -6.866 565 HZ3 LYS 72 HZ3 LYS 72 7.177 -2.637 -5.750 566 H HIS 73 H HIS 73 1.987 -3.894 -10.396 567 HA HIS 73 HA HIS 73 2.654 -6.134 -12.264 568 HB2 HIS 73 HB2 HIS 73 1.120 -6.212 -9.654 569 HB3 HIS 73 HB3 HIS 73 1.629 -7.586 -10.634 570 HD1 HIS 73 HD1 HIS 73 2.438 -7.217 -7.582 571 HD2 HIS 73 HD2 HIS 73 4.780 -6.338 -10.964 572 HE1 HIS 73 HE1 HIS 73 4.877 -7.133 -6.775 573 H CYS 74 H CYS 74 0.439 -3.636 -11.742 574 HA CYS 74 HA CYS 74 -1.935 -5.014 -12.659 575 HB2 CYS 74 HB2 CYS 74 -1.491 -2.716 -11.156 576 HB3 CYS 74 HB3 CYS 74 -1.944 -2.070 -12.775 577 H GLN 75 H GLN 75 -2.428 -5.382 -14.684 578 HA GLN 75 HA GLN 75 -1.241 -3.718 -16.892 579 HB2 GLN 75 HB2 GLN 75 -1.802 -6.686 -16.979 580 HB3 GLN 75 HB3 GLN 75 -0.968 -5.708 -18.210 581 HG2 GLN 75 HG2 GLN 75 0.774 -5.176 -16.418 582 HG3 GLN 75 HG3 GLN 75 -0.019 -6.402 -15.419 583 HE21 GLN 75 HE21 GLN 75 2.086 -5.892 -18.204 584 HE22 GLN 75 HE22 GLN 75 2.513 -7.591 -18.403 585 H GLU 76 H GLU 76 -3.981 -4.623 -15.417 586 HA GLU 76 HA GLU 76 -5.872 -5.224 -17.469 587 HB2 GLU 76 HB2 GLU 76 -6.303 -3.856 -14.783 588 HB3 GLU 76 HB3 GLU 76 -7.596 -4.484 -15.822 589 HG2 GLU 76 HG2 GLU 76 -6.542 -6.754 -15.739 590 HG3 GLU 76 HG3 GLU 76 -5.353 -6.139 -14.582 591 H ASN 77 H ASN 77 -7.778 -3.760 -18.117 592 HA ASN 77 HA ASN 77 -6.669 -1.423 -19.479 593 HB2 ASN 77 HB2 ASN 77 -9.397 -2.752 -19.560 594 HB3 ASN 77 HB3 ASN 77 -9.014 -1.278 -20.428 595 HD21 ASN 77 HD21 ASN 77 -6.129 -2.271 -21.121 596 HD22 ASN 77 HD22 ASN 77 -6.473 -3.280 -22.481 597 H LYS 78 H LYS 78 -6.136 -0.329 -17.501 598 HA LYS 78 HA LYS 78 -6.310 1.661 -16.396 599 HB2 LYS 78 HB2 LYS 78 -9.207 1.962 -17.065 600 HB3 LYS 78 HB3 LYS 78 -8.091 3.188 -16.502 601 HG2 LYS 78 HG2 LYS 78 -6.846 3.132 -18.607 602 HG3 LYS 78 HG3 LYS 78 -7.835 1.807 -19.222 603 HD2 LYS 78 HD2 LYS 78 -8.705 4.651 -18.720 604 HD3 LYS 78 HD3 LYS 78 -8.651 3.780 -20.252 605 HE2 LYS 78 HE2 LYS 78 -10.501 3.277 -17.894 606 HE3 LYS 78 HE3 LYS 78 -10.948 4.026 -19.428 607 HZ1 LYS 78 HZ1 LYS 78 -10.521 1.924 -20.518 608 HZ2 LYS 78 HZ2 LYS 78 -11.633 1.747 -19.328 609 HZ3 LYS 78 HZ3 LYS 78 -10.093 1.213 -19.093 610 H CYS 79 H CYS 79 -5.933 0.704 -14.484 611 HA CYS 79 HA CYS 79 -7.438 -1.119 -13.129 612 HB2 CYS 79 HB2 CYS 79 -5.799 1.050 -11.775 613 HB3 CYS 79 HB3 CYS 79 -6.102 -0.618 -11.224 614 HA PRO 80 HA PRO 80 -10.833 1.357 -11.578 615 HB2 PRO 80 HB2 PRO 80 -11.761 -0.296 -9.592 616 HB3 PRO 80 HB3 PRO 80 -12.045 -0.596 -11.333 617 HG2 PRO 80 HG2 PRO 80 -9.944 -1.791 -9.508 618 HG3 PRO 80 HG3 PRO 80 -10.979 -2.621 -10.727 619 HD2 PRO 80 HD2 PRO 80 -8.398 -1.909 -11.261 620 HD3 PRO 80 HD3 PRO 80 -9.673 -1.836 -12.507 621 H VAL 81 H VAL 81 -8.070 0.336 -9.635 622 HA VAL 81 HA VAL 81 -8.848 1.816 -7.269 623 HB VAL 81 HB VAL 81 -6.156 0.615 -8.041 624 HG11 VAL 81 HG11 VAL 81 -7.193 1.788 -5.418 625 HG12 VAL 81 HG12 VAL 81 -5.658 0.896 -5.606 626 HG13 VAL 81 HG13 VAL 81 -5.874 2.449 -6.412 627 HG21 VAL 81 HG21 VAL 81 -6.872 -1.055 -6.250 628 HG22 VAL 81 HG22 VAL 81 -8.488 -0.339 -6.298 629 HG23 VAL 81 HG23 VAL 81 -7.817 -1.140 -7.732 630 HA PRO 82 HA PRO 82 -7.708 5.588 -9.430 631 HB2 PRO 82 HB2 PRO 82 -8.076 7.404 -7.378 632 HB3 PRO 82 HB3 PRO 82 -9.392 6.656 -8.329 633 HG2 PRO 82 HG2 PRO 82 -8.392 5.893 -5.585 634 HG3 PRO 82 HG3 PRO 82 -10.072 5.991 -6.177 635 HD2 PRO 82 HD2 PRO 82 -8.631 3.652 -5.993 636 HD3 PRO 82 HD3 PRO 82 -9.927 3.864 -7.177 637 H PHE 83 H PHE 83 -6.189 4.745 -6.307 638 HA PHE 83 HA PHE 83 -4.019 6.636 -6.636 639 HB2 PHE 83 HB2 PHE 83 -4.495 4.316 -4.771 640 HB3 PHE 83 HB3 PHE 83 -2.935 5.109 -4.872 641 HD1 PHE 83 HD1 PHE 83 -6.380 6.774 -5.064 642 HD2 PHE 83 HD2 PHE 83 -2.713 6.262 -2.824 643 HE1 PHE 83 HE1 PHE 83 -7.045 8.585 -3.573 644 HE2 PHE 83 HE2 PHE 83 -3.347 8.159 -1.406 645 HZ PHE 83 HZ PHE 83 -5.578 9.312 -1.728 646 H CYS 84 H CYS 84 -4.536 3.342 -7.844 647 HA CYS 84 HA CYS 84 -1.854 2.669 -8.517 648 HB2 CYS 84 HB2 CYS 84 -3.908 1.091 -8.586 649 HB3 CYS 84 HB3 CYS 84 -4.455 1.977 -9.995 650 H LEU 85 H LEU 85 -4.457 4.014 -10.568 651 HA LEU 85 HA LEU 85 -2.712 4.688 -12.700 652 HB2 LEU 85 HB2 LEU 85 -4.581 5.889 -13.690 653 HB3 LEU 85 HB3 LEU 85 -4.974 4.286 -13.130 654 HG LEU 85 HG LEU 85 -5.978 5.459 -11.030 655 HD11 LEU 85 HD11 LEU 85 -5.327 7.797 -11.498 656 HD12 LEU 85 HD12 LEU 85 -7.070 7.628 -11.644 657 HD13 LEU 85 HD13 LEU 85 -6.089 7.694 -13.112 658 HD21 LEU 85 HD21 LEU 85 -7.184 4.140 -12.709 659 HD22 LEU 85 HD22 LEU 85 -7.307 5.567 -13.754 660 HD23 LEU 85 HD23 LEU 85 -8.126 5.521 -12.162 661 H ASN 86 H ASN 86 -3.655 6.592 -9.842 662 HA ASN 86 HA ASN 86 -2.699 9.116 -10.860 663 HB2 ASN 86 HB2 ASN 86 -4.164 8.729 -8.838 664 HB3 ASN 86 HB3 ASN 86 -2.783 8.045 -7.983 665 HD21 ASN 86 HD21 ASN 86 -4.532 10.380 -7.388 666 HD22 ASN 86 HD22 ASN 86 -3.393 11.672 -7.092 667 H ILE 87 H ILE 87 -1.088 6.572 -8.809 668 HA ILE 87 HA ILE 87 1.483 7.723 -8.745 669 HB ILE 87 HB ILE 87 0.435 4.887 -8.647 670 HG12 ILE 87 HG12 ILE 87 1.778 6.616 -6.524 671 HG13 ILE 87 HG13 ILE 87 0.047 6.709 -6.836 672 HG21 ILE 87 HG21 ILE 87 2.725 4.203 -7.847 673 HG22 ILE 87 HG22 ILE 87 2.661 4.585 -9.561 674 HG23 ILE 87 HG23 ILE 87 3.347 5.763 -8.412 675 HD11 ILE 87 HD11 ILE 87 1.570 4.343 -5.780 676 HD12 ILE 87 HD12 ILE 87 0.252 5.253 -5.028 677 HD13 ILE 87 HD13 ILE 87 -0.086 4.204 -6.417 678 H LYS 88 H LYS 88 0.080 5.528 -11.240 679 HA LYS 88 HA LYS 88 2.417 5.432 -12.781 680 HB2 LYS 88 HB2 LYS 88 -0.031 4.218 -12.954 681 HB3 LYS 88 HB3 LYS 88 -0.200 5.411 -14.243 682 HG2 LYS 88 HG2 LYS 88 0.734 3.545 -15.319 683 HG3 LYS 88 HG3 LYS 88 2.136 4.584 -15.060 684 HD2 LYS 88 HD2 LYS 88 2.740 3.208 -13.039 685 HD3 LYS 88 HD3 LYS 88 1.279 2.228 -13.301 686 HE2 LYS 88 HE2 LYS 88 2.095 1.789 -15.671 687 HE3 LYS 88 HE3 LYS 88 3.632 2.538 -15.225 688 HZ1 LYS 88 HZ1 LYS 88 3.898 0.782 -13.553 689 HZ2 LYS 88 HZ2 LYS 88 3.687 0.150 -15.055 690 HZ3 LYS 88 HZ3 LYS 88 2.454 0.099 -14.005 691 H GLN 89 H GLN 89 -0.233 7.851 -12.953 692 HA GLN 89 HA GLN 89 0.755 9.246 -15.211 693 HB2 GLN 89 HB2 GLN 89 -0.865 10.225 -12.821 694 HB3 GLN 89 HB3 GLN 89 -0.601 11.171 -14.282 695 HG2 GLN 89 HG2 GLN 89 -1.981 9.742 -15.593 696 HG3 GLN 89 HG3 GLN 89 -1.856 8.420 -14.506 697 HE21 GLN 89 HE21 GLN 89 -3.474 8.210 -13.122 698 HE22 GLN 89 HE22 GLN 89 -4.772 9.378 -12.792 699 H LYS 90 H LYS 90 1.477 9.570 -11.742 700 HA LYS 90 HA LYS 90 3.102 11.958 -12.025 701 HB2 LYS 90 HB2 LYS 90 2.992 9.840 -9.834 702 HB3 LYS 90 HB3 LYS 90 3.863 11.367 -9.701 703 HG2 LYS 90 HG2 LYS 90 1.817 12.657 -9.930 704 HG3 LYS 90 HG3 LYS 90 0.855 11.194 -10.181 705 HD2 LYS 90 HD2 LYS 90 2.436 11.819 -7.644 706 HD3 LYS 90 HD3 LYS 90 0.706 12.081 -7.880 707 HE2 LYS 90 HE2 LYS 90 0.673 9.552 -8.537 708 HE3 LYS 90 HE3 LYS 90 2.203 9.479 -7.627 709 HZ1 LYS 90 HZ1 LYS 90 0.937 10.479 -5.752 710 HZ2 LYS 90 HZ2 LYS 90 0.284 9.017 -6.200 711 HZ3 LYS 90 HZ3 LYS 90 -0.444 10.371 -6.672 712 H GLY 91 H GLY 91 3.855 8.539 -12.491 713 HA2 GLY 91 HA2 GLY 91 5.845 7.644 -13.299 714 HA3 GLY 91 HA3 GLY 91 6.561 9.262 -13.299 715 H GLY 92 H GLY 92 7.254 10.158 -11.184 716 HA2 GLY 92 HA2 GLY 92 7.930 10.037 -8.932 717 HA3 GLY 92 HA3 GLY 92 7.502 8.327 -8.872 718 H SER 93 H SER 93 9.559 9.879 -11.379 719 HA SER 93 HA SER 93 11.547 7.869 -11.191 720 HB2 SER 93 HB2 SER 93 12.940 9.483 -12.524 721 HB3 SER 93 HB3 SER 93 11.381 9.088 -13.232 722 HG SER 93 HG SER 93 10.592 11.041 -12.668 723 H GLY 94 H GLY 94 13.749 8.008 -10.487 724 HA2 GLY 94 HA2 GLY 94 15.446 8.565 -9.050 725 HA3 GLY 94 HA3 GLY 94 14.608 10.052 -8.613 726 H GLY 95 H GLY 95 12.098 8.665 -7.754 727 HA2 GLY 95 HA2 GLY 95 11.161 7.882 -5.847 728 HA3 GLY 95 HA3 GLY 95 12.379 6.613 -5.908 729 H GLY 96 H GLY 96 13.279 10.000 -5.472 730 HA2 GLY 96 HA2 GLY 96 14.381 11.083 -3.746 731 HA3 GLY 96 HA3 GLY 96 13.366 10.111 -2.659 732 H THR 97 H THR 97 15.540 8.455 -4.913 733 HA THR 97 HA THR 97 16.935 7.259 -2.655 734 HB THR 97 HB THR 97 17.900 5.775 -4.320 735 HG1 THR 97 HG1 THR 97 16.310 7.073 -6.272 736 HG21 THR 97 HG21 THR 97 15.870 4.614 -4.980 737 HG22 THR 97 HG22 THR 97 14.899 6.074 -4.784 738 HG23 THR 97 HG23 THR 97 15.633 5.319 -3.367 739 H GLY 98 H GLY 98 18.766 7.866 -5.579 740 HA2 GLY 98 HA2 GLY 98 20.051 10.159 -5.479 741 HA3 GLY 98 HA3 GLY 98 20.729 9.432 -4.021 742 H GLY 99 H GLY 99 20.933 6.717 -4.845 743 HA2 GLY 99 HA2 GLY 99 21.917 5.390 -6.617 744 HA3 GLY 99 HA3 GLY 99 22.834 6.794 -7.155 745 H GLY 100 H GLY 100 22.564 6.362 -3.674 746 HA2 GLY 100 HA2 GLY 100 24.051 5.708 -2.068 747 HA3 GLY 100 HA3 GLY 100 24.812 4.657 -3.262 748 H SER 101 H SER 101 24.459 8.245 -3.185 749 HA SER 101 HA SER 101 27.028 8.776 -4.196 750 HB2 SER 101 HB2 SER 101 25.030 10.328 -4.131 751 HB3 SER 101 HB3 SER 101 25.401 10.633 -2.416 752 HG SER 101 HG SER 101 27.053 11.020 -4.690 753 H GLY 102 H GLY 102 28.905 8.237 -3.281 754 HA2 GLY 102 HA2 GLY 102 30.593 7.972 -1.804 755 HA3 GLY 102 HA3 GLY 102 29.778 9.128 -0.755 756 H THR 103 H THR 103 27.717 6.396 -1.285 757 HA THR 103 HA THR 103 28.336 5.442 1.438 758 HB THR 103 HB THR 103 26.063 4.674 -0.425 759 HG1 THR 103 HG1 THR 103 25.918 6.384 1.809 760 HG21 THR 103 HG21 THR 103 24.992 3.949 1.724 761 HG22 THR 103 HG22 THR 103 26.485 4.341 2.592 762 HG23 THR 103 HG23 THR 103 26.473 3.045 1.392 763 H ILE 104 H ILE 104 30.003 4.046 1.477 764 HA ILE 104 HA ILE 104 30.711 2.444 -0.870 765 HB ILE 104 HB ILE 104 32.422 3.598 0.423 766 HG12 ILE 104 HG12 ILE 104 34.046 1.811 0.791 767 HG13 ILE 104 HG13 ILE 104 32.779 0.592 0.723 768 HG21 ILE 104 HG21 ILE 104 31.455 3.562 2.681 769 HG22 ILE 104 HG22 ILE 104 31.712 1.802 2.778 770 HG23 ILE 104 HG23 ILE 104 33.089 2.910 2.684 771 HD11 ILE 104 HD11 ILE 104 32.349 1.118 -1.649 772 HD12 ILE 104 HD12 ILE 104 33.512 2.471 -1.567 773 HD13 ILE 104 HD13 ILE 104 34.076 0.804 -1.396 774 H GLU 105 H GLU 105 28.792 2.092 1.984 775 HA GLU 105 HA GLU 105 28.948 -0.838 2.038 776 HB2 GLU 105 HB2 GLU 105 27.461 1.268 3.633 777 HB3 GLU 105 HB3 GLU 105 27.111 -0.465 3.809 778 HG2 GLU 105 HG2 GLU 105 29.276 -0.994 4.570 779 HG3 GLU 105 HG3 GLU 105 30.001 0.460 3.909 780 H GLY 106 H GLY 106 27.241 -2.216 1.481 781 HA2 GLY 106 HA2 GLY 106 24.710 -1.903 0.652 782 HA3 GLY 106 HA3 GLY 106 25.585 -1.284 -0.770 783 H ARG 107 H ARG 107 25.154 -4.069 1.389 784 HA ARG 107 HA ARG 107 25.919 -5.894 -0.794 785 HB2 ARG 107 HB2 ARG 107 28.003 -5.316 0.425 786 HB3 ARG 107 HB3 ARG 107 27.316 -5.936 1.929 787 HG2 ARG 107 HG2 ARG 107 27.376 -8.170 1.190 788 HG3 ARG 107 HG3 ARG 107 27.376 -7.701 -0.521 789 HD2 ARG 107 HD2 ARG 107 29.670 -6.720 -0.235 790 HD3 ARG 107 HD3 ARG 107 29.671 -7.280 1.450 791 HE ARG 107 HE ARG 107 30.063 -9.400 0.782 792 HH11 ARG 107 HH11 ARG 107 28.959 -7.590 -2.134 793 HH12 ARG 107 HH12 ARG 107 29.091 -8.956 -3.171 794 HH21 ARG 107 HH21 ARG 107 30.111 -11.147 -0.578 795 HH22 ARG 107 HH22 ARG 107 29.816 -11.039 -2.293 796 H GLY 108 H GLY 108 23.851 -6.678 -0.917 797 HA2 GLY 108 HA2 GLY 108 22.312 -8.329 -0.401 798 HA3 GLY 108 HA3 GLY 108 23.018 -8.536 1.201 799 H ASP 109 H ASP 109 21.517 -6.051 -0.793 800 HA ASP 109 HA ASP 109 20.629 -4.332 1.358 801 HB2 ASP 109 HB2 ASP 109 19.648 -3.008 -0.383 802 HB3 ASP 109 HB3 ASP 109 21.279 -3.468 -0.853 803 H GLY 110 H GLY 110 18.929 -6.369 -1.086 804 HA2 GLY 110 HA2 GLY 110 17.422 -8.149 -0.150 805 HA3 GLY 110 HA3 GLY 110 16.724 -6.873 0.853 806 H GLY 111 H GLY 111 17.029 -4.887 -1.466 807 HA2 GLY 111 HA2 GLY 111 15.929 -4.237 -3.367 808 HA3 GLY 111 HA3 GLY 111 15.225 -5.843 -3.536 809 H THR 112 H THR 112 14.759 -4.369 -0.357 810 HA THR 112 HA THR 112 12.134 -3.260 -1.139 811 HB THR 112 HB THR 112 11.089 -4.529 0.831 812 HG1 THR 112 HG1 THR 112 12.817 -5.390 1.855 813 HG21 THR 112 HG21 THR 112 11.908 -6.213 -1.544 814 HG22 THR 112 HG22 THR 112 10.546 -5.057 -1.482 815 HG23 THR 112 HG23 THR 112 10.539 -6.485 -0.450 816 H THR 113 H THR 113 14.807 -2.191 0.012 817 HA THR 113 HA THR 113 14.619 -1.441 2.602 818 HB THR 113 HB THR 113 16.515 -0.984 1.112 819 HG1 THR 113 HG1 THR 113 16.250 0.149 3.151 820 HG21 THR 113 HG21 THR 113 15.319 0.052 -0.798 821 HG22 THR 113 HG22 THR 113 16.615 1.097 -0.184 822 HG23 THR 113 HG23 THR 113 14.923 1.453 0.228 823 H PHE 114 H PHE 114 12.386 -0.150 0.177 824 HA PHE 114 HA PHE 114 11.593 2.187 1.548 825 HB2 PHE 114 HB2 PHE 114 9.749 2.291 0.218 826 HB3 PHE 114 HB3 PHE 114 10.824 1.334 -0.780 827 HD1 PHE 114 HD1 PHE 114 7.534 1.602 0.509 828 HD2 PHE 114 HD2 PHE 114 10.559 -1.351 -0.346 829 HE1 PHE 114 HE1 PHE 114 5.774 -0.145 0.253 830 HE2 PHE 114 HE2 PHE 114 8.825 -3.100 -0.477 831 HZ PHE 114 HZ PHE 114 6.438 -2.514 -0.278 832 H GLU 115 H GLU 115 11.089 -1.167 2.424 833 HA GLU 115 HA GLU 115 8.839 -0.993 4.116 834 HB2 GLU 115 HB2 GLU 115 9.506 -3.102 4.931 835 HB3 GLU 115 HB3 GLU 115 9.862 -3.039 3.211 836 HG2 GLU 115 HG2 GLU 115 12.314 -2.434 4.016 837 HG3 GLU 115 HG3 GLU 115 11.784 -3.106 5.545 838 H HIS 116 H HIS 116 12.051 0.313 4.541 839 HA HIS 116 HA HIS 116 12.282 0.402 7.333 840 HB2 HIS 116 HB2 HIS 116 13.925 1.959 7.022 841 HB3 HIS 116 HB3 HIS 116 13.907 1.264 5.419 842 HD1 HIS 116 HD1 HIS 116 13.003 4.524 7.304 843 HD2 HIS 116 HD2 HIS 116 13.149 2.958 3.388 844 HE1 HIS 116 HE1 HIS 116 12.870 6.492 5.746 845 H LEU 117 H LEU 117 10.105 2.189 5.191 846 HA LEU 117 HA LEU 117 9.401 4.314 6.926 847 HB2 LEU 117 HB2 LEU 117 8.074 2.964 4.554 848 HB3 LEU 117 HB3 LEU 117 7.177 4.122 5.524 849 HG LEU 117 HG LEU 117 9.352 5.641 5.186 850 HD11 LEU 117 HD11 LEU 117 10.325 5.415 2.982 851 HD12 LEU 117 HD12 LEU 117 9.315 4.006 2.615 852 HD13 LEU 117 HD13 LEU 117 10.570 3.902 3.858 853 HD21 LEU 117 HD21 LEU 117 7.243 5.221 3.045 854 HD22 LEU 117 HD22 LEU 117 8.272 6.662 3.246 855 HD23 LEU 117 HD23 LEU 117 7.084 6.248 4.494 856 H TRP 118 H TRP 118 8.573 0.919 7.180 857 HA TRP 118 HA TRP 118 6.210 1.425 8.839 858 HB2 TRP 118 HB2 TRP 118 7.656 -1.193 8.427 859 HB3 TRP 118 HB3 TRP 118 5.994 -0.945 8.895 860 HD1 TRP 118 HD1 TRP 118 7.665 -2.294 6.251 861 HE1 TRP 118 HE1 TRP 118 6.489 -2.132 4.004 862 HE3 TRP 118 HE3 TRP 118 4.277 1.342 7.424 863 HZ2 TRP 118 HZ2 TRP 118 4.316 -0.586 2.836 864 HZ3 TRP 118 HZ3 TRP 118 2.626 2.104 5.744 865 HH2 TRP 118 HH2 TRP 118 2.641 1.176 3.440 866 H SER 119 H SER 119 9.622 1.320 9.349 867 HA SER 119 HA SER 119 9.694 0.106 11.926 868 HB2 SER 119 HB2 SER 119 11.648 0.530 10.345 869 HB3 SER 119 HB3 SER 119 11.644 2.207 10.924 870 HG SER 119 HG SER 119 11.621 0.988 13.099 871 H SER 120 H SER 120 7.919 2.752 11.240 872 HA SER 120 HA SER 120 8.238 4.001 13.909 873 HB2 SER 120 HB2 SER 120 7.305 6.065 12.627 874 HB3 SER 120 HB3 SER 120 9.032 5.669 12.537 875 HG SER 120 HG SER 120 8.781 5.635 10.508 876 H LEU 121 H LEU 121 6.320 2.033 12.023 877 HA LEU 121 HA LEU 121 3.696 3.089 12.644 878 HB2 LEU 121 HB2 LEU 121 4.465 1.725 10.627 879 HB3 LEU 121 HB3 LEU 121 4.440 0.298 11.651 880 HG LEU 121 HG LEU 121 2.013 2.114 11.524 881 HD11 LEU 121 HD11 LEU 121 1.179 0.998 9.585 882 HD12 LEU 121 HD12 LEU 121 2.651 0.003 9.439 883 HD13 LEU 121 HD13 LEU 121 2.698 1.778 9.191 884 HD21 LEU 121 HD21 LEU 121 2.286 -0.923 11.774 885 HD22 LEU 121 HD22 LEU 121 0.766 0.004 11.837 886 HD23 LEU 121 HD23 LEU 121 1.968 0.185 13.112 887 H GLU 122 H GLU 122 3.338 3.227 14.772 888 HA GLU 122 HA GLU 122 4.433 1.572 16.792 889 HB2 GLU 122 HB2 GLU 122 2.949 2.871 18.263 890 HB3 GLU 122 HB3 GLU 122 3.724 3.930 17.083 891 HG2 GLU 122 HG2 GLU 122 1.627 3.842 15.692 892 HG3 GLU 122 HG3 GLU 122 0.867 2.880 16.967 893 HA PRO 123 HA PRO 123 1.595 -1.809 16.934 894 HB2 PRO 123 HB2 PRO 123 1.574 -2.562 19.566 895 HB3 PRO 123 HB3 PRO 123 3.004 -2.670 18.505 896 HG2 PRO 123 HG2 PRO 123 2.296 -0.426 20.398 897 HG3 PRO 123 HG3 PRO 123 3.841 -1.350 20.311 898 HD2 PRO 123 HD2 PRO 123 3.607 1.018 19.064 899 HD3 PRO 123 HD3 PRO 123 4.448 -0.333 18.266 900 H ASP 124 H ASP 124 0.319 0.960 17.147 901 HA ASP 124 HA ASP 124 -1.954 0.703 18.951 902 HB2 ASP 124 HB2 ASP 124 -1.187 2.905 18.005 903 HB3 ASP 124 HB3 ASP 124 -1.711 2.370 16.399 904 H SER 125 H SER 125 -1.030 -0.494 15.860 905 HA SER 125 HA SER 125 -1.964 -1.662 14.159 906 HB2 SER 125 HB2 SER 125 -1.310 -3.087 16.197 907 HB3 SER 125 HB3 SER 125 -3.030 -3.309 16.485 908 HG SER 125 HG SER 125 -1.600 -4.812 15.067 909 H THR 126 H THR 126 -3.686 0.522 14.930 910 HA THR 126 HA THR 126 -6.433 -0.366 14.814 911 HB THR 126 HB THR 126 -5.388 1.536 16.105 912 HG1 THR 126 HG1 THR 126 -7.130 2.572 16.210 913 HG21 THR 126 HG21 THR 126 -5.357 3.738 14.972 914 HG22 THR 126 HG22 THR 126 -5.503 2.956 13.411 915 HG23 THR 126 HG23 THR 126 -4.071 2.670 14.447 916 H TYR 127 H TYR 127 -4.020 0.700 12.388 917 HA TYR 127 HA TYR 127 -6.162 0.412 10.334 918 HB2 TYR 127 HB2 TYR 127 -5.323 2.241 9.190 919 HB3 TYR 127 HB3 TYR 127 -5.521 2.755 10.846 920 HD1 TYR 127 HD1 TYR 127 -3.345 2.816 8.036 921 HD2 TYR 127 HD2 TYR 127 -3.306 2.699 12.352 922 HE1 TYR 127 HE1 TYR 127 -1.064 3.618 8.013 923 HE2 TYR 127 HE2 TYR 127 -0.968 3.438 12.356 924 HH TYR 127 HH TYR 127 0.788 4.247 9.339 925 H PHE 128 H PHE 128 -2.538 0.552 10.372 926 HA PHE 128 HA PHE 128 -2.547 -1.612 8.345 927 HB2 PHE 128 HB2 PHE 128 -0.911 0.798 8.875 928 HB3 PHE 128 HB3 PHE 128 0.021 -0.649 8.540 929 HD1 PHE 128 HD1 PHE 128 0.818 -0.713 6.393 930 HD2 PHE 128 HD2 PHE 128 -3.182 0.760 7.085 931 HE1 PHE 128 HE1 PHE 128 0.513 -0.390 3.981 932 HE2 PHE 128 HE2 PHE 128 -3.427 1.188 4.671 933 HZ PHE 128 HZ PHE 128 -1.582 0.611 3.091 934 H ASP 129 H ASP 129 -0.943 -3.206 8.430 935 HA ASP 129 HA ASP 129 -0.275 -4.196 11.151 936 HB2 ASP 129 HB2 ASP 129 -0.391 -5.653 8.464 937 HB3 ASP 129 HB3 ASP 129 -0.090 -6.362 10.041 938 H LEU 130 H LEU 130 1.937 -4.147 11.635 939 HA LEU 130 HA LEU 130 3.823 -2.928 9.785 940 HB2 LEU 130 HB2 LEU 130 3.814 -2.836 12.369 941 HB3 LEU 130 HB3 LEU 130 4.511 -4.452 12.328 942 HG LEU 130 HG LEU 130 5.689 -1.891 11.154 943 HD11 LEU 130 HD11 LEU 130 6.492 -3.642 13.512 944 HD12 LEU 130 HD12 LEU 130 5.766 -2.024 13.584 945 HD13 LEU 130 HD13 LEU 130 7.395 -2.229 12.939 946 HD21 LEU 130 HD21 LEU 130 7.805 -3.204 10.860 947 HD22 LEU 130 HD22 LEU 130 6.536 -3.630 9.720 948 HD23 LEU 130 HD23 LEU 130 6.874 -4.694 11.123 Start of MODEL 10 1 H1 ALA 1 H ALA 1 17.702 -25.527 -9.543 2 HA ALA 1 HA ALA 1 15.397 -24.577 -11.116 3 HB1 ALA 1 HB1 ALA 1 15.432 -26.226 -8.556 4 HB2 ALA 1 HB2 ALA 1 13.975 -25.535 -9.304 5 HB3 ALA 1 HB3 ALA 1 14.926 -26.763 -10.164 6 H THR 2 H THR 2 13.976 -22.977 -9.980 7 HA THR 2 HA THR 2 15.670 -20.961 -8.734 8 HB THR 2 HB THR 2 13.643 -19.603 -8.824 9 HG1 THR 2 HG1 THR 2 11.788 -20.398 -9.739 10 HG21 THR 2 HG21 THR 2 14.004 -21.101 -11.458 11 HG22 THR 2 HG22 THR 2 15.110 -19.857 -10.844 12 HG23 THR 2 HG23 THR 2 13.432 -19.436 -11.236 13 H GLN 3 H GLN 3 15.141 -19.965 -6.611 14 HA GLN 3 HA GLN 3 13.492 -21.339 -4.713 15 HB2 GLN 3 HB2 GLN 3 15.340 -21.962 -3.177 16 HB3 GLN 3 HB3 GLN 3 15.384 -22.891 -4.662 17 HG2 GLN 3 HG2 GLN 3 17.125 -21.027 -5.456 18 HG3 GLN 3 HG3 GLN 3 17.241 -20.695 -3.733 19 HE21 GLN 3 HE21 GLN 3 17.417 -23.461 -6.114 20 HE22 GLN 3 HE22 GLN 3 18.855 -24.123 -5.383 21 H SER 4 H SER 4 13.092 -19.883 -2.989 22 HA SER 4 HA SER 4 14.747 -17.438 -2.747 23 HB2 SER 4 HB2 SER 4 11.768 -17.564 -3.349 24 HB3 SER 4 HB3 SER 4 12.592 -16.133 -2.698 25 HG SER 4 HG SER 4 13.824 -15.969 -4.461 26 HA PRO 5 HA PRO 5 13.353 -19.317 1.281 27 HB2 PRO 5 HB2 PRO 5 15.749 -19.555 2.546 28 HB3 PRO 5 HB3 PRO 5 15.191 -20.760 1.353 29 HG2 PRO 5 HG2 PRO 5 17.076 -18.425 0.888 30 HG3 PRO 5 HG3 PRO 5 17.301 -20.141 0.411 31 HD2 PRO 5 HD2 PRO 5 16.329 -18.245 -1.319 32 HD3 PRO 5 HD3 PRO 5 15.774 -19.945 -1.366 33 H GLY 6 H GLY 6 13.465 -18.160 3.457 34 HA2 GLY 6 HA2 GLY 6 13.450 -16.260 4.751 35 HA3 GLY 6 HA3 GLY 6 14.781 -15.633 3.767 36 H ASP 7 H ASP 7 11.341 -16.509 3.118 37 HA ASP 7 HA ASP 7 11.008 -13.903 1.728 38 HB2 ASP 7 HB2 ASP 7 9.744 -14.882 0.152 39 HB3 ASP 7 HB3 ASP 7 10.952 -16.110 0.437 40 H SER 8 H SER 8 10.167 -14.986 4.693 41 HA SER 8 HA SER 8 7.365 -14.728 4.843 42 HB2 SER 8 HB2 SER 8 9.567 -14.032 6.826 43 HB3 SER 8 HB3 SER 8 7.849 -14.076 7.231 44 HG SER 8 HG SER 8 8.767 -16.055 7.682 45 H ARG 9 H ARG 9 9.840 -12.135 4.874 46 HA ARG 9 HA ARG 9 7.929 -10.016 5.196 47 HB2 ARG 9 HB2 ARG 9 9.710 -8.500 4.599 48 HB3 ARG 9 HB3 ARG 9 10.315 -9.771 5.649 49 HG2 ARG 9 HG2 ARG 9 10.897 -10.866 3.198 50 HG3 ARG 9 HG3 ARG 9 11.011 -9.144 2.806 51 HD2 ARG 9 HD2 ARG 9 12.458 -10.580 5.073 52 HD3 ARG 9 HD3 ARG 9 13.137 -10.254 3.479 53 HE ARG 9 HE ARG 9 12.215 -7.819 4.734 54 HH11 ARG 9 HH11 ARG 9 14.782 -10.220 5.034 55 HH12 ARG 9 HH12 ARG 9 16.034 -9.067 5.308 56 HH21 ARG 9 HH21 ARG 9 13.718 -6.353 5.158 57 HH22 ARG 9 HH22 ARG 9 15.281 -6.699 5.838 58 H ARG 10 H ARG 10 9.234 -11.616 2.279 59 HA ARG 10 HA ARG 10 8.139 -9.848 0.335 60 HB2 ARG 10 HB2 ARG 10 8.729 -12.840 0.225 61 HB3 ARG 10 HB3 ARG 10 8.134 -11.968 -1.147 62 HG2 ARG 10 HG2 ARG 10 10.650 -11.030 0.281 63 HG3 ARG 10 HG3 ARG 10 10.705 -12.391 -0.815 64 HD2 ARG 10 HD2 ARG 10 9.828 -9.570 -1.504 65 HD3 ARG 10 HD3 ARG 10 11.320 -10.386 -2.000 66 HE ARG 10 HE ARG 10 9.240 -11.982 -2.964 67 HH11 ARG 10 HH11 ARG 10 10.764 -8.900 -3.752 68 HH12 ARG 10 HH12 ARG 10 9.873 -8.640 -5.195 69 HH21 ARG 10 HH21 ARG 10 8.169 -11.775 -4.819 70 HH22 ARG 10 HH22 ARG 10 8.272 -10.359 -5.854 71 H LEU 11 H LEU 11 6.851 -12.775 1.942 72 HA LEU 11 HA LEU 11 4.357 -12.837 0.534 73 HB2 LEU 11 HB2 LEU 11 5.068 -13.846 3.318 74 HB3 LEU 11 HB3 LEU 11 3.563 -14.172 2.467 75 HG LEU 11 HG LEU 11 6.347 -15.191 1.827 76 HD11 LEU 11 HD11 LEU 11 5.176 -17.360 1.986 77 HD12 LEU 11 HD12 LEU 11 3.669 -16.520 2.390 78 HD13 LEU 11 HD13 LEU 11 5.060 -16.419 3.487 79 HD21 LEU 11 HD21 LEU 11 3.920 -15.231 -0.007 80 HD22 LEU 11 HD22 LEU 11 5.314 -16.331 -0.150 81 HD23 LEU 11 HD23 LEU 11 5.552 -14.605 -0.352 82 H SER 12 H SER 12 5.284 -11.452 3.723 83 HA SER 12 HA SER 12 2.850 -10.358 4.443 84 HB2 SER 12 HB2 SER 12 5.540 -8.978 4.832 85 HB3 SER 12 HB3 SER 12 4.087 -8.798 5.813 86 HG SER 12 HG SER 12 5.538 -11.260 5.541 87 H ILE 13 H ILE 13 5.419 -8.638 2.557 88 HA ILE 13 HA ILE 13 3.949 -6.304 2.080 89 HB ILE 13 HB ILE 13 6.119 -7.659 0.445 90 HG12 ILE 13 HG12 ILE 13 6.470 -5.213 2.193 91 HG13 ILE 13 HG13 ILE 13 6.519 -6.818 2.911 92 HG21 ILE 13 HG21 ILE 13 5.067 -6.100 -1.047 93 HG22 ILE 13 HG22 ILE 13 4.981 -4.826 0.201 94 HG23 ILE 13 HG23 ILE 13 6.536 -5.318 -0.501 95 HD11 ILE 13 HD11 ILE 13 8.336 -5.904 0.653 96 HD12 ILE 13 HD12 ILE 13 8.778 -6.027 2.371 97 HD13 ILE 13 HD13 ILE 13 8.366 -7.486 1.446 98 H GLN 14 H GLN 14 4.179 -9.239 -0.004 99 HA GLN 14 HA GLN 14 2.408 -8.286 -2.015 100 HB2 GLN 14 HB2 GLN 14 3.080 -11.110 -1.108 101 HB3 GLN 14 HB3 GLN 14 2.035 -10.765 -2.490 102 HG2 GLN 14 HG2 GLN 14 3.788 -9.623 -3.677 103 HG3 GLN 14 HG3 GLN 14 4.865 -9.669 -2.291 104 HE21 GLN 14 HE21 GLN 14 5.260 -12.012 -1.408 105 HE22 GLN 14 HE22 GLN 14 5.539 -13.242 -2.655 106 H ARG 15 H ARG 15 1.676 -10.107 1.005 107 HA ARG 15 HA ARG 15 -1.124 -10.415 0.447 108 HB2 ARG 15 HB2 ARG 15 0.471 -10.403 3.055 109 HB3 ARG 15 HB3 ARG 15 -1.263 -10.697 3.000 110 HG2 ARG 15 HG2 ARG 15 0.812 -12.418 1.578 111 HG3 ARG 15 HG3 ARG 15 0.085 -12.773 3.148 112 HD2 ARG 15 HD2 ARG 15 -2.139 -12.907 2.133 113 HD3 ARG 15 HD3 ARG 15 -1.470 -12.446 0.559 114 HE ARG 15 HE ARG 15 -0.243 -14.802 1.734 115 HH11 ARG 15 HH11 ARG 15 -2.858 -13.668 -0.389 116 HH12 ARG 15 HH12 ARG 15 -3.179 -15.207 -1.085 117 HH21 ARG 15 HH21 ARG 15 -0.627 -16.805 0.893 118 HH22 ARG 15 HH22 ARG 15 -1.920 -17.108 -0.240 119 H ALA 16 H ALA 16 0.709 -7.908 2.261 120 HA ALA 16 HA ALA 16 -1.500 -6.372 3.035 121 HB1 ALA 16 HB1 ALA 16 1.312 -5.422 2.277 122 HB2 ALA 16 HB2 ALA 16 0.128 -4.528 3.249 123 HB3 ALA 16 HB3 ALA 16 0.806 -6.039 3.861 124 H ILE 17 H ILE 17 0.536 -6.033 0.083 125 HA ILE 17 HA ILE 17 -0.857 -3.899 -1.131 126 HB ILE 17 HB ILE 17 0.683 -6.251 -2.335 127 HG12 ILE 17 HG12 ILE 17 1.679 -3.389 -2.117 128 HG13 ILE 17 HG13 ILE 17 1.850 -4.504 -0.769 129 HG21 ILE 17 HG21 ILE 17 0.993 -4.874 -4.370 130 HG22 ILE 17 HG22 ILE 17 -0.723 -5.198 -4.085 131 HG23 ILE 17 HG23 ILE 17 -0.052 -3.616 -3.676 132 HD11 ILE 17 HD11 ILE 17 2.986 -4.951 -3.549 133 HD12 ILE 17 HD12 ILE 17 3.860 -4.440 -2.093 134 HD13 ILE 17 HD13 ILE 17 3.126 -6.060 -2.185 135 H GLN 18 H GLN 18 -1.275 -7.434 -1.686 136 HA GLN 18 HA GLN 18 -3.441 -7.295 -3.482 137 HB2 GLN 18 HB2 GLN 18 -2.479 -9.402 -1.547 138 HB3 GLN 18 HB3 GLN 18 -3.819 -9.687 -2.668 139 HG2 GLN 18 HG2 GLN 18 -2.483 -9.395 -4.599 140 HG3 GLN 18 HG3 GLN 18 -1.188 -8.595 -3.703 141 HE21 GLN 18 HE21 GLN 18 -0.035 -10.224 -5.118 142 HE22 GLN 18 HE22 GLN 18 0.326 -11.795 -4.409 143 H SER 19 H SER 19 -3.476 -7.607 0.089 144 HA SER 19 HA SER 19 -6.277 -7.823 0.294 145 HB2 SER 19 HB2 SER 19 -4.676 -8.477 2.043 146 HB3 SER 19 HB3 SER 19 -4.194 -6.792 2.276 147 HG SER 19 HG SER 19 -6.892 -7.598 2.570 148 H LEU 20 H LEU 20 -4.131 -4.961 0.094 149 HA LEU 20 HA LEU 20 -6.212 -3.103 0.812 150 HB2 LEU 20 HB2 LEU 20 -3.514 -2.942 0.803 151 HB3 LEU 20 HB3 LEU 20 -3.799 -2.166 -0.738 152 HG LEU 20 HG LEU 20 -5.251 -1.384 1.830 153 HD11 LEU 20 HD11 LEU 20 -2.829 -1.100 2.179 154 HD12 LEU 20 HD12 LEU 20 -3.663 0.449 2.120 155 HD13 LEU 20 HD13 LEU 20 -2.724 -0.118 0.716 156 HD21 LEU 20 HD21 LEU 20 -4.864 0.068 -0.781 157 HD22 LEU 20 HD22 LEU 20 -5.625 0.773 0.667 158 HD23 LEU 20 HD23 LEU 20 -6.380 -0.588 -0.169 159 H VAL 21 H VAL 21 -4.621 -3.921 -2.382 160 HA VAL 21 HA VAL 21 -6.350 -2.274 -3.893 161 HB VAL 21 HB VAL 21 -4.317 -3.267 -4.847 162 HG11 VAL 21 HG11 VAL 21 -4.466 -5.508 -3.901 163 HG12 VAL 21 HG12 VAL 21 -5.806 -5.916 -4.990 164 HG13 VAL 21 HG13 VAL 21 -4.210 -5.536 -5.651 165 HG21 VAL 21 HG21 VAL 21 -5.519 -4.207 -7.036 166 HG22 VAL 21 HG22 VAL 21 -6.957 -3.571 -6.285 167 HG23 VAL 21 HG23 VAL 21 -5.590 -2.494 -6.608 168 H HIS 22 H HIS 22 -6.805 -5.662 -2.732 169 HA HIS 22 HA HIS 22 -9.221 -6.094 -4.139 170 HB2 HIS 22 HB2 HIS 22 -7.970 -7.919 -3.059 171 HB3 HIS 22 HB3 HIS 22 -8.312 -7.240 -1.472 172 HD1 HIS 22 HD1 HIS 22 -11.064 -7.632 -4.214 173 HD2 HIS 22 HD2 HIS 22 -9.776 -9.127 -0.486 174 HE1 HIS 22 HE1 HIS 22 -12.968 -9.046 -3.312 175 H ALA 23 H ALA 23 -8.689 -4.927 -0.727 176 HA ALA 23 HA ALA 23 -11.373 -4.562 -0.063 177 HB1 ALA 23 HB1 ALA 23 -10.465 -2.959 1.645 178 HB2 ALA 23 HB2 ALA 23 -9.630 -4.525 1.574 179 HB3 ALA 23 HB3 ALA 23 -8.896 -3.076 0.834 180 H ALA 24 H ALA 24 -9.266 -2.440 -1.967 181 HA ALA 24 HA ALA 24 -10.899 -0.125 -1.788 182 HB1 ALA 24 HB1 ALA 24 -8.835 -1.001 -3.822 183 HB2 ALA 24 HB2 ALA 24 -9.536 0.635 -3.763 184 HB3 ALA 24 HB3 ALA 24 -8.558 0.025 -2.403 185 H GLN 25 H GLN 25 -11.319 -3.020 -3.668 186 HA GLN 25 HA GLN 25 -13.630 -1.808 -5.107 187 HB2 GLN 25 HB2 GLN 25 -13.124 -3.263 -7.022 188 HB3 GLN 25 HB3 GLN 25 -11.841 -2.086 -6.716 189 HG2 GLN 25 HG2 GLN 25 -10.475 -3.766 -5.620 190 HG3 GLN 25 HG3 GLN 25 -11.740 -4.974 -5.716 191 HE21 GLN 25 HE21 GLN 25 -8.873 -4.569 -6.874 192 HE22 GLN 25 HE22 GLN 25 -9.073 -5.132 -8.519 193 H CYS 26 H CYS 26 -12.990 -3.696 -2.610 194 HA CYS 26 HA CYS 26 -14.553 -6.100 -3.251 195 HB2 CYS 26 HB2 CYS 26 -12.614 -6.310 -1.821 196 HB3 CYS 26 HB3 CYS 26 -13.249 -5.077 -0.730 197 H ARG 27 H ARG 27 -16.596 -5.569 -3.649 198 HA ARG 27 HA ARG 27 -18.071 -3.924 -1.626 199 HB2 ARG 27 HB2 ARG 27 -18.909 -4.285 -4.515 200 HB3 ARG 27 HB3 ARG 27 -19.565 -3.173 -3.319 201 HG2 ARG 27 HG2 ARG 27 -17.389 -1.918 -3.316 202 HG3 ARG 27 HG3 ARG 27 -16.765 -3.039 -4.528 203 HD2 ARG 27 HD2 ARG 27 -17.361 -1.172 -5.744 204 HD3 ARG 27 HD3 ARG 27 -18.644 -2.328 -6.078 205 HE ARG 27 HE ARG 27 -18.705 0.187 -4.538 206 HH11 ARG 27 HH11 ARG 27 -20.644 -2.578 -5.695 207 HH12 ARG 27 HH12 ARG 27 -22.103 -2.033 -4.939 208 HH21 ARG 27 HH21 ARG 27 -20.742 1.067 -3.884 209 HH22 ARG 27 HH22 ARG 27 -22.190 0.137 -4.124 210 H ASN 28 H ASN 28 -17.719 -7.010 -3.117 211 HA ASN 28 HA ASN 28 -20.404 -7.954 -2.733 212 HB2 ASN 28 HB2 ASN 28 -19.569 -10.133 -3.327 213 HB3 ASN 28 HB3 ASN 28 -18.931 -8.926 -4.429 214 HD21 ASN 28 HD21 ASN 28 -18.031 -11.665 -2.655 215 HD22 ASN 28 HD22 ASN 28 -16.305 -11.360 -2.695 216 H ALA 29 H ALA 29 -21.347 -8.556 -0.897 217 HA ALA 29 HA ALA 29 -20.200 -8.518 1.616 218 HB1 ALA 29 HB1 ALA 29 -22.602 -8.311 1.166 219 HB2 ALA 29 HB2 ALA 29 -22.674 -10.007 0.627 220 HB3 ALA 29 HB3 ALA 29 -22.317 -9.630 2.317 221 H ASN 30 H ASN 30 -19.947 -11.171 -0.627 222 HA ASN 30 HA ASN 30 -19.824 -13.359 1.243 223 HB2 ASN 30 HB2 ASN 30 -20.213 -13.659 -1.151 224 HB3 ASN 30 HB3 ASN 30 -18.567 -13.099 -1.506 225 HD21 ASN 30 HD21 ASN 30 -17.611 -15.034 -2.303 226 HD22 ASN 30 HD22 ASN 30 -17.511 -16.491 -1.335 227 H CYS 31 H CYS 31 -17.481 -10.933 0.311 228 HA CYS 31 HA CYS 31 -15.176 -12.488 1.234 229 HB2 CYS 31 HB2 CYS 31 -14.999 -10.744 -0.588 230 HB3 CYS 31 HB3 CYS 31 -15.359 -9.519 0.648 231 H SER 32 H SER 32 -15.793 -13.078 3.363 232 HA SER 32 HA SER 32 -15.930 -10.847 5.353 233 HB2 SER 32 HB2 SER 32 -16.929 -12.680 6.804 234 HB3 SER 32 HB3 SER 32 -17.945 -12.048 5.496 235 HG SER 32 HG SER 32 -17.085 -14.549 5.937 236 H LEU 33 H LEU 33 -13.806 -10.476 5.562 237 HA LEU 33 HA LEU 33 -12.132 -12.585 6.756 238 HB2 LEU 33 HB2 LEU 33 -11.544 -11.081 4.176 239 HB3 LEU 33 HB3 LEU 33 -10.244 -11.337 5.317 240 HG LEU 33 HG LEU 33 -11.157 -13.878 5.269 241 HD11 LEU 33 HD11 LEU 33 -11.746 -14.572 3.002 242 HD12 LEU 33 HD12 LEU 33 -11.686 -12.894 2.427 243 HD13 LEU 33 HD13 LEU 33 -12.941 -13.401 3.557 244 HD21 LEU 33 HD21 LEU 33 -9.370 -14.347 3.663 245 HD22 LEU 33 HD22 LEU 33 -8.858 -13.159 4.866 246 HD23 LEU 33 HD23 LEU 33 -9.289 -12.630 3.222 247 HA PRO 34 HA PRO 34 -11.325 -9.206 9.465 248 HB2 PRO 34 HB2 PRO 34 -8.709 -9.614 10.280 249 HB3 PRO 34 HB3 PRO 34 -10.109 -10.582 10.822 250 HG2 PRO 34 HG2 PRO 34 -8.113 -11.279 8.676 251 HG3 PRO 34 HG3 PRO 34 -8.798 -12.318 9.964 252 HD2 PRO 34 HD2 PRO 34 -9.737 -12.340 7.402 253 HD3 PRO 34 HD3 PRO 34 -10.822 -12.585 8.797 254 H SER 35 H SER 35 -8.245 -9.683 7.638 255 HA SER 35 HA SER 35 -7.482 -7.099 7.407 256 HB2 SER 35 HB2 SER 35 -7.015 -9.229 5.351 257 HB3 SER 35 HB3 SER 35 -5.989 -7.847 5.742 258 HG SER 35 HG SER 35 -5.293 -9.814 6.779 259 H CYS 36 H CYS 36 -9.647 -8.814 5.032 260 HA CYS 36 HA CYS 36 -9.713 -6.595 3.268 261 HB2 CYS 36 HB2 CYS 36 -10.502 -9.105 2.909 262 HB3 CYS 36 HB3 CYS 36 -12.054 -8.517 3.512 263 H GLN 37 H GLN 37 -11.589 -7.248 6.203 264 HA GLN 37 HA GLN 37 -13.578 -5.193 5.660 265 HB2 GLN 37 HB2 GLN 37 -12.861 -6.894 8.088 266 HB3 GLN 37 HB3 GLN 37 -14.083 -5.611 8.143 267 HG2 GLN 37 HG2 GLN 37 -15.240 -6.562 6.264 268 HG3 GLN 37 HG3 GLN 37 -14.099 -7.887 6.102 269 HE21 GLN 37 HE21 GLN 37 -14.016 -9.466 7.775 270 HE22 GLN 37 HE22 GLN 37 -15.271 -9.720 8.969 271 H LYS 38 H LYS 38 -10.816 -5.478 7.845 272 HA LYS 38 HA LYS 38 -11.005 -2.778 8.844 273 HB2 LYS 38 HB2 LYS 38 -8.700 -2.918 9.588 274 HB3 LYS 38 HB3 LYS 38 -9.624 -4.364 10.033 275 HG2 LYS 38 HG2 LYS 38 -8.622 -5.532 8.105 276 HG3 LYS 38 HG3 LYS 38 -7.579 -4.150 7.772 277 HD2 LYS 38 HD2 LYS 38 -7.600 -5.682 10.408 278 HD3 LYS 38 HD3 LYS 38 -6.539 -6.065 9.038 279 HE2 LYS 38 HE2 LYS 38 -5.613 -3.746 9.117 280 HE3 LYS 38 HE3 LYS 38 -6.630 -3.395 10.528 281 HZ1 LYS 38 HZ1 LYS 38 -5.452 -5.127 11.725 282 HZ2 LYS 38 HZ2 LYS 38 -4.348 -4.049 11.121 283 HZ3 LYS 38 HZ3 LYS 38 -4.542 -5.484 10.404 284 H MET 39 H MET 39 -9.257 -4.043 5.958 285 HA MET 39 HA MET 39 -7.988 -1.660 5.267 286 HB2 MET 39 HB2 MET 39 -8.897 -4.063 3.672 287 HB3 MET 39 HB3 MET 39 -8.108 -2.670 2.910 288 HG2 MET 39 HG2 MET 39 -6.859 -4.359 5.089 289 HG3 MET 39 HG3 MET 39 -6.535 -4.455 3.362 290 HE1 MET 39 HE1 MET 39 -3.751 -4.083 4.536 291 HE2 MET 39 HE2 MET 39 -4.357 -3.998 2.867 292 HE3 MET 39 HE3 MET 39 -3.314 -2.718 3.509 293 H LYS 40 H LYS 40 -11.387 -2.649 4.867 294 HA LYS 40 HA LYS 40 -12.082 -0.894 2.831 295 HB2 LYS 40 HB2 LYS 40 -13.791 -1.443 5.291 296 HB3 LYS 40 HB3 LYS 40 -14.357 -0.778 3.785 297 HG2 LYS 40 HG2 LYS 40 -13.438 -3.601 4.278 298 HG3 LYS 40 HG3 LYS 40 -15.055 -3.051 3.919 299 HD2 LYS 40 HD2 LYS 40 -14.018 -2.157 1.684 300 HD3 LYS 40 HD3 LYS 40 -12.658 -3.222 2.084 301 HE2 LYS 40 HE2 LYS 40 -15.566 -4.065 1.725 302 HE3 LYS 40 HE3 LYS 40 -14.285 -4.229 0.544 303 HZ1 LYS 40 HZ1 LYS 40 -13.146 -5.635 2.356 304 HZ2 LYS 40 HZ2 LYS 40 -14.380 -6.261 1.471 305 HZ3 LYS 40 HZ3 LYS 40 -14.693 -5.737 2.993 306 H ARG 41 H ARG 41 -11.573 -0.239 6.249 307 HA ARG 41 HA ARG 41 -12.693 2.427 6.278 308 HB2 ARG 41 HB2 ARG 41 -10.594 1.178 8.104 309 HB3 ARG 41 HB3 ARG 41 -11.477 2.677 8.410 310 HG2 ARG 41 HG2 ARG 41 -13.619 1.357 8.442 311 HG3 ARG 41 HG3 ARG 41 -12.658 -0.126 8.238 312 HD2 ARG 41 HD2 ARG 41 -11.369 0.568 10.340 313 HD3 ARG 41 HD3 ARG 41 -12.603 1.818 10.583 314 HE ARG 41 HE ARG 41 -13.806 -0.756 10.158 315 HH11 ARG 41 HH11 ARG 41 -12.199 1.148 12.716 316 HH12 ARG 41 HH12 ARG 41 -12.834 0.204 13.994 317 HH21 ARG 41 HH21 ARG 41 -14.370 -2.141 11.730 318 HH22 ARG 41 HH22 ARG 41 -13.926 -1.977 13.386 319 H VAL 42 H VAL 42 -9.474 1.115 5.548 320 HA VAL 42 HA VAL 42 -8.056 3.553 5.552 321 HB VAL 42 HB VAL 42 -7.444 1.072 3.880 322 HG11 VAL 42 HG11 VAL 42 -5.609 3.194 5.046 323 HG12 VAL 42 HG12 VAL 42 -5.109 1.770 4.104 324 HG13 VAL 42 HG13 VAL 42 -6.056 3.051 3.333 325 HG21 VAL 42 HG21 VAL 42 -7.764 0.366 6.229 326 HG22 VAL 42 HG22 VAL 42 -6.049 0.338 5.817 327 HG23 VAL 42 HG23 VAL 42 -6.722 1.682 6.769 328 H VAL 43 H VAL 43 -9.517 1.709 2.757 329 HA VAL 43 HA VAL 43 -8.861 3.676 0.860 330 HB VAL 43 HB VAL 43 -9.359 1.549 0.045 331 HG11 VAL 43 HG11 VAL 43 -12.180 1.719 1.196 332 HG12 VAL 43 HG12 VAL 43 -11.542 0.410 0.189 333 HG13 VAL 43 HG13 VAL 43 -10.867 0.671 1.783 334 HG21 VAL 43 HG21 VAL 43 -11.784 3.181 -0.777 335 HG22 VAL 43 HG22 VAL 43 -10.135 3.525 -1.315 336 HG23 VAL 43 HG23 VAL 43 -10.893 1.978 -1.729 337 H GLN 44 H GLN 44 -11.764 3.336 2.911 338 HA GLN 44 HA GLN 44 -13.275 5.331 1.672 339 HB2 GLN 44 HB2 GLN 44 -14.130 3.722 3.298 340 HB3 GLN 44 HB3 GLN 44 -13.088 4.360 4.567 341 HG2 GLN 44 HG2 GLN 44 -14.368 6.446 4.643 342 HG3 GLN 44 HG3 GLN 44 -15.373 5.912 3.283 343 HE21 GLN 44 HE21 GLN 44 -14.779 5.557 6.772 344 HE22 GLN 44 HE22 GLN 44 -15.997 4.325 7.021 345 H HIS 45 H HIS 45 -10.860 5.563 4.313 346 HA HIS 45 HA HIS 45 -11.133 8.381 4.751 347 HB2 HIS 45 HB2 HIS 45 -10.276 6.877 6.408 348 HB3 HIS 45 HB3 HIS 45 -8.978 6.323 5.363 349 HD1 HIS 45 HD1 HIS 45 -9.839 9.126 7.780 350 HD2 HIS 45 HD2 HIS 45 -6.868 7.937 5.040 351 HE1 HIS 45 HE1 HIS 45 -7.823 10.592 8.220 352 H THR 46 H THR 46 -8.543 6.493 2.929 353 HA THR 46 HA THR 46 -7.273 8.767 1.971 354 HB THR 46 HB THR 46 -6.299 7.228 0.260 355 HG1 THR 46 HG1 THR 46 -7.864 5.862 -0.244 356 HG21 THR 46 HG21 THR 46 -5.080 7.121 2.259 357 HG22 THR 46 HG22 THR 46 -5.489 5.439 1.983 358 HG23 THR 46 HG23 THR 46 -6.404 6.350 3.170 359 H LYS 47 H LYS 47 -10.096 7.165 0.594 360 HA LYS 47 HA LYS 47 -10.131 8.513 -1.897 361 HB2 LYS 47 HB2 LYS 47 -11.376 6.492 -1.446 362 HB3 LYS 47 HB3 LYS 47 -12.327 7.292 -0.184 363 HG2 LYS 47 HG2 LYS 47 -13.396 8.727 -1.860 364 HG3 LYS 47 HG3 LYS 47 -12.427 7.990 -3.148 365 HD2 LYS 47 HD2 LYS 47 -14.193 6.357 -1.301 366 HD3 LYS 47 HD3 LYS 47 -14.876 7.135 -2.729 367 HE2 LYS 47 HE2 LYS 47 -12.520 5.210 -2.797 368 HE3 LYS 47 HE3 LYS 47 -14.200 4.698 -2.951 369 HZ1 LYS 47 HZ1 LYS 47 -12.870 6.584 -4.832 370 HZ2 LYS 47 HZ2 LYS 47 -14.412 6.076 -4.922 371 HZ3 LYS 47 HZ3 LYS 47 -13.194 4.989 -5.118 372 H GLY 48 H GLY 48 -11.353 9.549 1.331 373 HA2 GLY 48 HA2 GLY 48 -12.457 12.031 0.119 374 HA3 GLY 48 HA3 GLY 48 -12.869 11.338 1.677 375 H CYS 49 H CYS 49 -9.497 11.192 1.335 376 HA CYS 49 HA CYS 49 -9.055 13.151 3.310 377 HB2 CYS 49 HB2 CYS 49 -7.375 11.309 1.639 378 HB3 CYS 49 HB3 CYS 49 -6.542 12.667 2.392 379 H LYS 50 H LYS 50 -9.722 15.177 2.768 380 HA LYS 50 HA LYS 50 -8.528 16.468 0.356 381 HB2 LYS 50 HB2 LYS 50 -10.608 17.462 2.308 382 HB3 LYS 50 HB3 LYS 50 -10.002 18.379 0.931 383 HG2 LYS 50 HG2 LYS 50 -11.652 15.841 0.888 384 HG3 LYS 50 HG3 LYS 50 -12.083 17.435 0.260 385 HD2 LYS 50 HD2 LYS 50 -9.994 15.582 -0.892 386 HD3 LYS 50 HD3 LYS 50 -11.623 15.829 -1.523 387 HE2 LYS 50 HE2 LYS 50 -11.211 18.120 -2.111 388 HE3 LYS 50 HE3 LYS 50 -9.680 18.146 -1.211 389 HZ1 LYS 50 HZ1 LYS 50 -10.174 16.542 -3.636 390 HZ2 LYS 50 HZ2 LYS 50 -8.774 16.583 -2.766 391 HZ3 LYS 50 HZ3 LYS 50 -9.283 17.931 -3.548 392 H ARG 51 H ARG 51 -7.666 16.098 3.600 393 HA ARG 51 HA ARG 51 -6.345 18.691 3.914 394 HB2 ARG 51 HB2 ARG 51 -6.903 17.163 5.829 395 HB3 ARG 51 HB3 ARG 51 -5.631 16.056 5.277 396 HG2 ARG 51 HG2 ARG 51 -3.929 17.771 5.594 397 HG3 ARG 51 HG3 ARG 51 -5.148 18.929 6.137 398 HD2 ARG 51 HD2 ARG 51 -4.366 16.289 7.454 399 HD3 ARG 51 HD3 ARG 51 -3.875 17.878 8.011 400 HE ARG 51 HE ARG 51 -6.253 16.493 8.646 401 HH11 ARG 51 HH11 ARG 51 -5.071 19.839 8.239 402 HH12 ARG 51 HH12 ARG 51 -6.540 20.542 8.867 403 HH21 ARG 51 HH21 ARG 51 -7.995 17.449 9.729 404 HH22 ARG 51 HH22 ARG 51 -8.110 19.188 9.850 405 H LYS 52 H LYS 52 -5.627 15.817 2.152 406 HA LYS 52 HA LYS 52 -2.923 15.656 1.871 407 HB2 LYS 52 HB2 LYS 52 -5.159 15.321 -0.138 408 HB3 LYS 52 HB3 LYS 52 -3.463 15.073 -0.611 409 HG2 LYS 52 HG2 LYS 52 -3.151 13.340 0.945 410 HG3 LYS 52 HG3 LYS 52 -4.688 13.664 1.750 411 HD2 LYS 52 HD2 LYS 52 -4.884 11.664 0.432 412 HD3 LYS 52 HD3 LYS 52 -5.934 12.893 -0.244 413 HE2 LYS 52 HE2 LYS 52 -3.185 12.371 -1.380 414 HE3 LYS 52 HE3 LYS 52 -4.587 11.393 -1.834 415 HZ1 LYS 52 HZ1 LYS 52 -4.577 14.335 -2.187 416 HZ2 LYS 52 HZ2 LYS 52 -5.624 13.245 -2.838 417 HZ3 LYS 52 HZ3 LYS 52 -4.077 13.308 -3.330 418 H THR 53 H THR 53 -4.961 18.132 0.224 419 HA THR 53 HA THR 53 -3.143 19.207 -1.511 420 HB THR 53 HB THR 53 -5.004 20.842 0.242 421 HG1 THR 53 HG1 THR 53 -5.736 19.239 -1.989 422 HG21 THR 53 HG21 THR 53 -3.738 22.133 -1.442 423 HG22 THR 53 HG22 THR 53 -5.467 22.119 -1.786 424 HG23 THR 53 HG23 THR 53 -4.370 21.083 -2.728 425 H ASN 54 H ASN 54 -3.203 19.823 2.057 426 HA ASN 54 HA ASN 54 -0.759 21.538 1.706 427 HB2 ASN 54 HB2 ASN 54 -3.211 21.822 3.415 428 HB3 ASN 54 HB3 ASN 54 -1.673 22.378 4.043 429 HD21 ASN 54 HD21 ASN 54 -2.493 24.544 4.052 430 HD22 ASN 54 HD22 ASN 54 -2.587 25.483 2.573 431 H GLY 55 H GLY 55 -1.709 18.524 2.923 432 HA2 GLY 55 HA2 GLY 55 0.622 17.613 3.858 433 HA3 GLY 55 HA3 GLY 55 0.155 18.639 5.226 434 H GLY 56 H GLY 56 -1.079 16.080 3.109 435 HA2 GLY 56 HA2 GLY 56 -3.316 15.334 4.796 436 HA3 GLY 56 HA3 GLY 56 -2.582 14.312 3.537 437 H CYS 57 H CYS 57 -3.473 13.327 5.947 438 HA CYS 57 HA CYS 57 -1.479 13.032 7.957 439 HB2 CYS 57 HB2 CYS 57 -3.019 11.511 8.951 440 HB3 CYS 57 HB3 CYS 57 -3.968 12.712 8.144 441 HA PRO 58 HA PRO 58 1.249 10.024 6.340 442 HB2 PRO 58 HB2 PRO 58 1.460 7.839 8.000 443 HB3 PRO 58 HB3 PRO 58 2.101 9.460 8.408 444 HG2 PRO 58 HG2 PRO 58 -0.522 8.223 9.263 445 HG3 PRO 58 HG3 PRO 58 0.669 9.100 10.275 446 HD2 PRO 58 HD2 PRO 58 -1.556 10.265 9.281 447 HD3 PRO 58 HD3 PRO 58 -0.040 11.199 9.431 448 H ILE 59 H ILE 59 -1.888 8.507 7.252 449 HA ILE 59 HA ILE 59 -1.696 6.241 5.655 450 HB ILE 59 HB ILE 59 -4.306 7.733 6.043 451 HG12 ILE 59 HG12 ILE 59 -2.898 5.904 8.049 452 HG13 ILE 59 HG13 ILE 59 -3.178 7.633 8.249 453 HG21 ILE 59 HG21 ILE 59 -3.744 4.721 6.006 454 HG22 ILE 59 HG22 ILE 59 -5.320 5.534 5.936 455 HG23 ILE 59 HG23 ILE 59 -4.240 5.655 4.562 456 HD11 ILE 59 HD11 ILE 59 -5.311 5.474 8.218 457 HD12 ILE 59 HD12 ILE 59 -4.789 6.472 9.573 458 HD13 ILE 59 HD13 ILE 59 -5.646 7.226 8.211 459 H CYS 60 H CYS 60 -2.608 9.566 4.692 460 HA CYS 60 HA CYS 60 -3.378 9.083 2.037 461 HB2 CYS 60 HB2 CYS 60 -1.774 11.439 3.153 462 HB3 CYS 60 HB3 CYS 60 -2.732 11.429 1.686 463 H LYS 61 H LYS 61 -0.183 9.881 3.319 464 HA LYS 61 HA LYS 61 1.211 9.849 0.749 465 HB2 LYS 61 HB2 LYS 61 1.985 11.300 2.524 466 HB3 LYS 61 HB3 LYS 61 2.131 9.955 3.663 467 HG2 LYS 61 HG2 LYS 61 3.987 9.003 2.444 468 HG3 LYS 61 HG3 LYS 61 3.801 10.157 1.120 469 HD2 LYS 61 HD2 LYS 61 4.489 10.975 3.988 470 HD3 LYS 61 HD3 LYS 61 5.687 10.581 2.752 471 HE2 LYS 61 HE2 LYS 61 4.553 12.310 1.254 472 HE3 LYS 61 HE3 LYS 61 3.693 12.859 2.713 473 HZ1 LYS 61 HZ1 LYS 61 6.641 12.669 2.723 474 HZ2 LYS 61 HZ2 LYS 61 5.638 13.686 3.583 475 HZ3 LYS 61 HZ3 LYS 61 5.900 13.938 1.995 476 H GLN 62 H GLN 62 1.159 7.650 3.580 477 HA GLN 62 HA GLN 62 2.941 5.751 2.446 478 HB2 GLN 62 HB2 GLN 62 0.872 5.444 4.645 479 HB3 GLN 62 HB3 GLN 62 2.197 4.336 4.316 480 HG2 GLN 62 HG2 GLN 62 2.602 7.236 5.157 481 HG3 GLN 62 HG3 GLN 62 2.530 5.875 6.261 482 HE21 GLN 62 HE21 GLN 62 4.709 6.370 7.041 483 HE22 GLN 62 HE22 GLN 62 6.094 6.058 6.043 484 H LEU 63 H LEU 63 -0.604 6.145 2.050 485 HA LEU 63 HA LEU 63 -1.064 3.475 1.214 486 HB2 LEU 63 HB2 LEU 63 -2.989 4.970 1.529 487 HB3 LEU 63 HB3 LEU 63 -2.454 5.984 0.188 488 HG LEU 63 HG LEU 63 -2.805 4.119 -1.400 489 HD11 LEU 63 HD11 LEU 63 -2.329 2.166 0.046 490 HD12 LEU 63 HD12 LEU 63 -3.933 2.053 -0.684 491 HD13 LEU 63 HD13 LEU 63 -3.759 2.541 1.023 492 HD21 LEU 63 HD21 LEU 63 -5.340 4.167 0.235 493 HD22 LEU 63 HD22 LEU 63 -5.136 4.088 -1.512 494 HD23 LEU 63 HD23 LEU 63 -4.788 5.600 -0.645 495 H ILE 64 H ILE 64 -0.000 6.303 -0.650 496 HA ILE 64 HA ILE 64 0.117 5.058 -3.191 497 HB ILE 64 HB ILE 64 1.405 7.486 -1.946 498 HG12 ILE 64 HG12 ILE 64 -0.514 7.387 -4.320 499 HG13 ILE 64 HG13 ILE 64 -1.108 7.115 -2.681 500 HG21 ILE 64 HG21 ILE 64 2.154 8.241 -4.181 501 HG22 ILE 64 HG22 ILE 64 3.045 6.819 -3.617 502 HG23 ILE 64 HG23 ILE 64 1.782 6.631 -4.835 503 HD11 ILE 64 HD11 ILE 64 -0.157 9.251 -1.910 504 HD12 ILE 64 HD12 ILE 64 0.242 9.627 -3.601 505 HD13 ILE 64 HD13 ILE 64 -1.449 9.403 -3.105 506 H ALA 65 H ALA 65 2.487 5.052 -0.490 507 HA ALA 65 HA ALA 65 4.699 4.130 -1.976 508 HB1 ALA 65 HB1 ALA 65 4.018 3.373 0.908 509 HB2 ALA 65 HB2 ALA 65 5.592 3.284 0.139 510 HB3 ALA 65 HB3 ALA 65 4.840 4.874 0.404 511 H LEU 66 H LEU 66 2.225 2.233 -0.210 512 HA LEU 66 HA LEU 66 3.226 -0.342 -1.045 513 HB2 LEU 66 HB2 LEU 66 1.865 0.306 1.041 514 HB3 LEU 66 HB3 LEU 66 0.451 0.384 -0.009 515 HG LEU 66 HG LEU 66 0.852 -2.018 -0.637 516 HD11 LEU 66 HD11 LEU 66 3.221 -2.358 -0.188 517 HD12 LEU 66 HD12 LEU 66 2.361 -3.319 1.009 518 HD13 LEU 66 HD13 LEU 66 3.061 -1.752 1.473 519 HD21 LEU 66 HD21 LEU 66 0.603 -1.557 2.355 520 HD22 LEU 66 HD22 LEU 66 0.001 -2.951 1.422 521 HD23 LEU 66 HD23 LEU 66 -0.708 -1.362 1.160 522 H ALA 67 H ALA 67 0.493 1.782 -2.085 523 HA ALA 67 HA ALA 67 -0.654 0.106 -4.004 524 HB1 ALA 67 HB1 ALA 67 -0.501 3.148 -3.920 525 HB2 ALA 67 HB2 ALA 67 -1.670 2.244 -4.889 526 HB3 ALA 67 HB3 ALA 67 -1.743 2.147 -3.141 527 H ALA 68 H ALA 68 2.279 2.062 -4.277 528 HA ALA 68 HA ALA 68 2.419 2.088 -7.124 529 HB1 ALA 68 HB1 ALA 68 4.716 2.718 -6.822 530 HB2 ALA 68 HB2 ALA 68 3.748 3.570 -5.620 531 HB3 ALA 68 HB3 ALA 68 4.707 2.141 -5.141 532 H TYR 69 H TYR 69 3.148 -0.467 -4.781 533 HA TYR 69 HA TYR 69 4.828 -1.949 -6.656 534 HB2 TYR 69 HB2 TYR 69 3.564 -2.626 -4.005 535 HB3 TYR 69 HB3 TYR 69 4.274 -3.857 -5.047 536 HD1 TYR 69 HD1 TYR 69 5.946 -0.508 -4.984 537 HD2 TYR 69 HD2 TYR 69 5.762 -4.461 -3.247 538 HE1 TYR 69 HE1 TYR 69 8.213 -0.215 -4.091 539 HE2 TYR 69 HE2 TYR 69 8.017 -4.137 -2.294 540 HH TYR 69 HH TYR 69 9.549 -2.336 -1.691 541 H HIS 70 H HIS 70 1.329 -2.048 -5.717 542 HA HIS 70 HA HIS 70 0.739 -4.240 -7.490 543 HB2 HIS 70 HB2 HIS 70 -0.944 -3.822 -5.926 544 HB3 HIS 70 HB3 HIS 70 -0.845 -2.072 -6.136 545 HD1 HIS 70 HD1 HIS 70 -2.660 -5.128 -7.692 546 HD2 HIS 70 HD2 HIS 70 -2.122 -0.993 -8.172 547 HE1 HIS 70 HE1 HIS 70 -4.527 -4.306 -9.202 548 H ALA 71 H ALA 71 0.785 -0.655 -7.886 549 HA ALA 71 HA ALA 71 -0.264 -0.456 -10.412 550 HB1 ALA 71 HB1 ALA 71 2.006 1.159 -9.185 551 HB2 ALA 71 HB2 ALA 71 1.102 1.644 -10.611 552 HB3 ALA 71 HB3 ALA 71 0.254 1.474 -9.065 553 H LYS 72 H LYS 72 3.235 -1.172 -9.801 554 HA LYS 72 HA LYS 72 3.754 -1.199 -12.650 555 HB2 LYS 72 HB2 LYS 72 5.926 -2.190 -12.078 556 HB3 LYS 72 HB3 LYS 72 5.576 -0.690 -11.231 557 HG2 LYS 72 HG2 LYS 72 5.169 -1.831 -9.153 558 HG3 LYS 72 HG3 LYS 72 5.153 -3.416 -9.938 559 HD2 LYS 72 HD2 LYS 72 7.484 -3.321 -10.432 560 HD3 LYS 72 HD3 LYS 72 7.610 -1.614 -10.000 561 HE2 LYS 72 HE2 LYS 72 6.707 -3.696 -7.975 562 HE3 LYS 72 HE3 LYS 72 8.424 -3.440 -8.302 563 HZ1 LYS 72 HZ1 LYS 72 8.281 -1.220 -7.592 564 HZ2 LYS 72 HZ2 LYS 72 7.608 -2.134 -6.441 565 HZ3 LYS 72 HZ3 LYS 72 6.652 -1.230 -7.461 566 H HIS 73 H HIS 73 2.154 -3.598 -10.734 567 HA HIS 73 HA HIS 73 2.798 -5.678 -12.777 568 HB2 HIS 73 HB2 HIS 73 1.923 -6.042 -9.902 569 HB3 HIS 73 HB3 HIS 73 2.239 -7.330 -11.066 570 HD1 HIS 73 HD1 HIS 73 3.902 -7.218 -8.403 571 HD2 HIS 73 HD2 HIS 73 5.036 -5.649 -12.131 572 HE1 HIS 73 HE1 HIS 73 6.446 -6.895 -8.324 573 H CYS 74 H CYS 74 0.347 -3.568 -11.771 574 HA CYS 74 HA CYS 74 -1.921 -5.300 -12.148 575 HB2 CYS 74 HB2 CYS 74 -1.789 -3.058 -10.877 576 HB3 CYS 74 HB3 CYS 74 -1.858 -2.293 -12.500 577 H GLN 75 H GLN 75 -2.294 -6.195 -14.059 578 HA GLN 75 HA GLN 75 -0.986 -5.530 -16.468 579 HB2 GLN 75 HB2 GLN 75 -2.711 -6.964 -17.527 580 HB3 GLN 75 HB3 GLN 75 -1.742 -7.688 -16.230 581 HG2 GLN 75 HG2 GLN 75 -3.782 -7.366 -14.717 582 HG3 GLN 75 HG3 GLN 75 -4.681 -6.933 -16.183 583 HE21 GLN 75 HE21 GLN 75 -5.544 -9.216 -14.730 584 HE22 GLN 75 HE22 GLN 75 -5.027 -10.662 -15.568 585 H GLU 76 H GLU 76 -4.144 -4.638 -15.339 586 HA GLU 76 HA GLU 76 -5.045 -3.375 -17.755 587 HB2 GLU 76 HB2 GLU 76 -6.460 -4.181 -15.797 588 HB3 GLU 76 HB3 GLU 76 -5.941 -2.773 -14.885 589 HG2 GLU 76 HG2 GLU 76 -8.223 -2.606 -15.969 590 HG3 GLU 76 HG3 GLU 76 -7.121 -1.293 -16.374 591 H ASN 77 H ASN 77 -5.451 -1.000 -18.034 592 HA ASN 77 HA ASN 77 -3.250 0.676 -16.899 593 HB2 ASN 77 HB2 ASN 77 -3.050 1.797 -18.911 594 HB3 ASN 77 HB3 ASN 77 -3.256 0.117 -19.382 595 HD21 ASN 77 HD21 ASN 77 -4.703 3.346 -19.477 596 HD22 ASN 77 HD22 ASN 77 -6.049 2.887 -20.531 597 H LYS 78 H LYS 78 -6.540 0.205 -16.799 598 HA LYS 78 HA LYS 78 -7.115 2.917 -15.743 599 HB2 LYS 78 HB2 LYS 78 -8.019 2.647 -18.096 600 HB3 LYS 78 HB3 LYS 78 -8.895 1.233 -17.550 601 HG2 LYS 78 HG2 LYS 78 -10.434 3.077 -17.651 602 HG3 LYS 78 HG3 LYS 78 -10.202 2.636 -15.971 603 HD2 LYS 78 HD2 LYS 78 -10.327 5.047 -16.259 604 HD3 LYS 78 HD3 LYS 78 -8.758 4.565 -15.597 605 HE2 LYS 78 HE2 LYS 78 -7.705 4.810 -17.810 606 HE3 LYS 78 HE3 LYS 78 -9.292 5.152 -18.542 607 HZ1 LYS 78 HZ1 LYS 78 -8.099 7.166 -18.151 608 HZ2 LYS 78 HZ2 LYS 78 -7.958 6.872 -16.533 609 HZ3 LYS 78 HZ3 LYS 78 -9.439 7.121 -17.243 610 H CYS 79 H CYS 79 -6.247 1.523 -13.970 611 HA CYS 79 HA CYS 79 -7.505 -0.800 -13.036 612 HB2 CYS 79 HB2 CYS 79 -6.054 1.425 -11.532 613 HB3 CYS 79 HB3 CYS 79 -6.418 -0.171 -10.846 614 HA PRO 80 HA PRO 80 -11.172 0.685 -11.013 615 HB2 PRO 80 HB2 PRO 80 -11.564 -1.223 -9.075 616 HB3 PRO 80 HB3 PRO 80 -11.774 -1.547 -10.819 617 HG2 PRO 80 HG2 PRO 80 -9.336 -2.124 -9.111 618 HG3 PRO 80 HG3 PRO 80 -10.167 -3.226 -10.258 619 HD2 PRO 80 HD2 PRO 80 -7.961 -1.854 -10.992 620 HD3 PRO 80 HD3 PRO 80 -9.320 -2.085 -12.132 621 H VAL 81 H VAL 81 -8.124 0.479 -9.407 622 HA VAL 81 HA VAL 81 -9.118 1.794 -6.969 623 HB VAL 81 HB VAL 81 -6.360 0.688 -7.617 624 HG11 VAL 81 HG11 VAL 81 -6.008 1.041 -5.149 625 HG12 VAL 81 HG12 VAL 81 -6.170 2.540 -6.049 626 HG13 VAL 81 HG13 VAL 81 -7.551 1.941 -5.103 627 HG21 VAL 81 HG21 VAL 81 -8.752 -0.361 -6.053 628 HG22 VAL 81 HG22 VAL 81 -7.856 -1.162 -7.351 629 HG23 VAL 81 HG23 VAL 81 -7.105 -0.952 -5.764 630 HA PRO 82 HA PRO 82 -8.050 5.546 -9.191 631 HB2 PRO 82 HB2 PRO 82 -8.491 7.386 -7.175 632 HB3 PRO 82 HB3 PRO 82 -9.777 6.587 -8.133 633 HG2 PRO 82 HG2 PRO 82 -8.779 5.889 -5.377 634 HG3 PRO 82 HG3 PRO 82 -10.469 5.964 -5.966 635 HD2 PRO 82 HD2 PRO 82 -9.050 3.623 -5.762 636 HD3 PRO 82 HD3 PRO 82 -10.286 3.840 -7.006 637 H PHE 83 H PHE 83 -6.426 4.500 -6.202 638 HA PHE 83 HA PHE 83 -4.416 6.569 -6.405 639 HB2 PHE 83 HB2 PHE 83 -4.993 4.312 -4.532 640 HB3 PHE 83 HB3 PHE 83 -3.334 4.862 -4.682 641 HD1 PHE 83 HD1 PHE 83 -6.516 6.985 -4.844 642 HD2 PHE 83 HD2 PHE 83 -2.889 5.996 -2.715 643 HE1 PHE 83 HE1 PHE 83 -6.877 8.899 -3.335 644 HE2 PHE 83 HE2 PHE 83 -3.246 7.954 -1.216 645 HZ PHE 83 HZ PHE 83 -5.263 9.383 -1.502 646 H CYS 84 H CYS 84 -4.855 3.288 -7.653 647 HA CYS 84 HA CYS 84 -2.186 2.707 -8.326 648 HB2 CYS 84 HB2 CYS 84 -4.228 1.124 -8.348 649 HB3 CYS 84 HB3 CYS 84 -4.697 1.900 -9.862 650 H LEU 85 H LEU 85 -4.753 4.145 -10.369 651 HA LEU 85 HA LEU 85 -2.933 4.798 -12.476 652 HB2 LEU 85 HB2 LEU 85 -4.726 6.216 -13.392 653 HB3 LEU 85 HB3 LEU 85 -5.213 4.588 -12.981 654 HG LEU 85 HG LEU 85 -6.116 5.656 -10.748 655 HD11 LEU 85 HD11 LEU 85 -6.092 8.050 -12.637 656 HD12 LEU 85 HD12 LEU 85 -5.231 7.925 -11.106 657 HD13 LEU 85 HD13 LEU 85 -6.986 7.947 -11.087 658 HD21 LEU 85 HD21 LEU 85 -8.300 6.006 -11.832 659 HD22 LEU 85 HD22 LEU 85 -7.493 4.539 -12.400 660 HD23 LEU 85 HD23 LEU 85 -7.495 5.972 -13.435 661 H ASN 86 H ASN 86 -3.710 6.466 -9.475 662 HA ASN 86 HA ASN 86 -2.507 8.965 -10.221 663 HB2 ASN 86 HB2 ASN 86 -3.134 7.802 -7.511 664 HB3 ASN 86 HB3 ASN 86 -2.252 9.302 -7.706 665 HD21 ASN 86 HD21 ASN 86 -4.503 9.605 -6.323 666 HD22 ASN 86 HD22 ASN 86 -5.677 10.476 -7.318 667 H ILE 87 H ILE 87 -1.076 5.925 -9.112 668 HA ILE 87 HA ILE 87 1.432 6.938 -8.253 669 HB ILE 87 HB ILE 87 0.998 4.398 -9.868 670 HG12 ILE 87 HG12 ILE 87 -0.568 4.154 -8.139 671 HG13 ILE 87 HG13 ILE 87 0.775 3.160 -7.742 672 HG21 ILE 87 HG21 ILE 87 3.325 5.065 -9.595 673 HG22 ILE 87 HG22 ILE 87 3.131 5.110 -7.825 674 HG23 ILE 87 HG23 ILE 87 2.980 3.580 -8.726 675 HD11 ILE 87 HD11 ILE 87 1.446 4.652 -5.973 676 HD12 ILE 87 HD12 ILE 87 0.212 5.862 -6.473 677 HD13 ILE 87 HD13 ILE 87 -0.295 4.302 -5.837 678 H LYS 88 H LYS 88 0.293 5.961 -11.541 679 HA LYS 88 HA LYS 88 2.696 6.775 -12.879 680 HB2 LYS 88 HB2 LYS 88 -0.117 6.039 -13.729 681 HB3 LYS 88 HB3 LYS 88 0.814 7.018 -14.843 682 HG2 LYS 88 HG2 LYS 88 1.124 4.788 -15.488 683 HG3 LYS 88 HG3 LYS 88 2.659 5.367 -14.840 684 HD2 LYS 88 HD2 LYS 88 2.334 4.071 -12.795 685 HD3 LYS 88 HD3 LYS 88 0.649 3.701 -13.261 686 HE2 LYS 88 HE2 LYS 88 1.521 2.593 -15.340 687 HE3 LYS 88 HE3 LYS 88 3.175 2.811 -14.741 688 HZ1 LYS 88 HZ1 LYS 88 2.145 0.620 -14.286 689 HZ2 LYS 88 HZ2 LYS 88 1.066 1.340 -13.283 690 HZ3 LYS 88 HZ3 LYS 88 2.691 1.396 -12.930 691 H GLN 89 H GLN 89 -0.253 8.546 -11.968 692 HA GLN 89 HA GLN 89 0.232 10.847 -13.599 693 HB2 GLN 89 HB2 GLN 89 -1.316 10.548 -11.000 694 HB3 GLN 89 HB3 GLN 89 -1.374 11.960 -12.011 695 HG2 GLN 89 HG2 GLN 89 -2.004 9.329 -13.354 696 HG3 GLN 89 HG3 GLN 89 -3.153 9.953 -12.188 697 HE21 GLN 89 HE21 GLN 89 -3.356 12.608 -12.577 698 HE22 GLN 89 HE22 GLN 89 -3.638 12.999 -14.277 699 H LYS 90 H LYS 90 2.200 9.746 -11.242 700 HA LYS 90 HA LYS 90 3.047 12.479 -10.305 701 HB2 LYS 90 HB2 LYS 90 3.544 9.749 -9.051 702 HB3 LYS 90 HB3 LYS 90 4.146 11.297 -8.447 703 HG2 LYS 90 HG2 LYS 90 2.066 12.071 -7.788 704 HG3 LYS 90 HG3 LYS 90 1.183 10.953 -8.817 705 HD2 LYS 90 HD2 LYS 90 1.949 9.036 -7.452 706 HD3 LYS 90 HD3 LYS 90 2.715 10.166 -6.305 707 HE2 LYS 90 HE2 LYS 90 -0.185 10.318 -7.212 708 HE3 LYS 90 HE3 LYS 90 0.309 9.397 -5.779 709 HZ1 LYS 90 HZ1 LYS 90 0.763 12.314 -6.128 710 HZ2 LYS 90 HZ2 LYS 90 1.141 11.426 -4.780 711 HZ3 LYS 90 HZ3 LYS 90 -0.433 11.653 -5.268 712 H GLY 91 H GLY 91 3.898 10.158 -12.614 713 HA2 GLY 91 HA2 GLY 91 5.839 9.902 -13.827 714 HA3 GLY 91 HA3 GLY 91 6.439 11.359 -13.045 715 H GLY 92 H GLY 92 5.512 8.592 -11.035 716 HA2 GLY 92 HA2 GLY 92 6.816 7.078 -9.813 717 HA3 GLY 92 HA3 GLY 92 8.163 7.404 -10.917 718 H SER 93 H SER 93 6.251 9.397 -8.573 719 HA SER 93 HA SER 93 8.508 10.989 -7.830 720 HB2 SER 93 HB2 SER 93 6.922 11.884 -6.138 721 HB3 SER 93 HB3 SER 93 6.257 11.875 -7.772 722 HG SER 93 HG SER 93 4.956 11.119 -5.918 723 H GLY 94 H GLY 94 7.365 7.897 -6.584 724 HA2 GLY 94 HA2 GLY 94 8.209 6.587 -4.879 725 HA3 GLY 94 HA3 GLY 94 9.543 7.747 -4.694 726 H GLY 95 H GLY 95 9.437 9.150 -3.043 727 HA2 GLY 95 HA2 GLY 95 6.957 10.028 -1.730 728 HA3 GLY 95 HA3 GLY 95 8.056 9.038 -0.756 729 H GLY 96 H GLY 96 10.401 10.367 -2.426 730 HA2 GLY 96 HA2 GLY 96 11.594 12.352 -2.446 731 HA3 GLY 96 HA3 GLY 96 10.306 13.155 -1.549 732 H THR 97 H THR 97 11.631 10.047 -0.408 733 HA THR 97 HA THR 97 12.237 11.098 2.158 734 HB THR 97 HB THR 97 13.250 8.527 0.883 735 HG1 THR 97 HG1 THR 97 10.957 8.592 2.446 736 HG21 THR 97 HG21 THR 97 13.059 7.683 3.239 737 HG22 THR 97 HG22 THR 97 12.721 9.341 3.770 738 HG23 THR 97 HG23 THR 97 14.291 8.941 3.035 739 H GLY 98 H GLY 98 14.551 9.948 -0.425 740 HA2 GLY 98 HA2 GLY 98 16.338 11.819 -0.744 741 HA3 GLY 98 HA3 GLY 98 16.762 11.393 0.922 742 H GLY 99 H GLY 99 16.094 8.502 0.608 743 HA2 GLY 99 HA2 GLY 99 17.002 6.948 -1.305 744 HA3 GLY 99 HA3 GLY 99 18.539 7.677 -0.806 745 H GLY 100 H GLY 100 18.237 7.869 1.951 746 HA2 GLY 100 HA2 GLY 100 17.665 5.097 2.892 747 HA3 GLY 100 HA3 GLY 100 19.266 5.785 3.142 748 H SER 101 H SER 101 17.371 8.461 3.500 749 HA SER 101 HA SER 101 16.707 9.689 5.247 750 HB2 SER 101 HB2 SER 101 14.848 7.920 5.030 751 HB3 SER 101 HB3 SER 101 15.530 7.227 6.512 752 HG SER 101 HG SER 101 15.312 9.291 7.456 753 H GLY 102 H GLY 102 19.340 7.913 5.645 754 HA2 GLY 102 HA2 GLY 102 20.838 8.838 7.411 755 HA3 GLY 102 HA3 GLY 102 19.614 8.343 8.582 756 H THR 103 H THR 103 19.272 5.952 6.434 757 HA THR 103 HA THR 103 20.649 3.967 7.929 758 HB THR 103 HB THR 103 19.711 3.754 5.027 759 HG1 THR 103 HG1 THR 103 17.978 4.561 6.205 760 HG21 THR 103 HG21 THR 103 20.825 1.724 5.927 761 HG22 THR 103 HG22 THR 103 19.113 1.435 5.649 762 HG23 THR 103 HG23 THR 103 19.699 1.709 7.299 763 H ILE 104 H ILE 104 22.500 2.608 7.172 764 HA ILE 104 HA ILE 104 24.354 4.031 5.284 765 HB ILE 104 HB ILE 104 25.137 2.708 7.907 766 HG12 ILE 104 HG12 ILE 104 25.035 5.714 7.365 767 HG13 ILE 104 HG13 ILE 104 23.829 4.836 8.304 768 HG21 ILE 104 HG21 ILE 104 26.929 2.686 6.208 769 HG22 ILE 104 HG22 ILE 104 26.743 4.439 5.967 770 HG23 ILE 104 HG23 ILE 104 27.345 3.784 7.508 771 HD11 ILE 104 HD11 ILE 104 25.221 5.772 9.903 772 HD12 ILE 104 HD12 ILE 104 25.647 4.058 9.843 773 HD13 ILE 104 HD13 ILE 104 26.707 5.269 9.076 774 H GLU 105 H GLU 105 23.203 0.983 6.706 775 HA GLU 105 HA GLU 105 24.378 -0.584 4.477 776 HB2 GLU 105 HB2 GLU 105 24.809 -2.343 6.250 777 HB3 GLU 105 HB3 GLU 105 25.829 -0.913 6.310 778 HG2 GLU 105 HG2 GLU 105 24.509 0.040 8.157 779 HG3 GLU 105 HG3 GLU 105 23.382 -1.309 8.065 780 H GLY 106 H GLY 106 23.008 -2.934 5.910 781 HA2 GLY 106 HA2 GLY 106 20.932 -3.927 5.921 782 HA3 GLY 106 HA3 GLY 106 20.204 -2.324 5.854 783 H ARG 107 H ARG 107 22.480 -3.155 3.339 784 HA ARG 107 HA ARG 107 20.298 -3.632 1.377 785 HB2 ARG 107 HB2 ARG 107 22.588 -1.675 1.368 786 HB3 ARG 107 HB3 ARG 107 22.308 -2.524 -0.136 787 HG2 ARG 107 HG2 ARG 107 20.162 -0.952 1.337 788 HG3 ARG 107 HG3 ARG 107 21.156 -0.308 0.030 789 HD2 ARG 107 HD2 ARG 107 19.241 -2.656 -0.196 790 HD3 ARG 107 HD3 ARG 107 18.921 -1.040 -0.775 791 HE ARG 107 HE ARG 107 20.579 -3.117 -1.971 792 HH11 ARG 107 HH11 ARG 107 19.533 0.301 -2.236 793 HH12 ARG 107 HH12 ARG 107 19.941 0.326 -3.936 794 HH21 ARG 107 HH21 ARG 107 21.152 -2.933 -4.151 795 HH22 ARG 107 HH22 ARG 107 20.987 -1.377 -4.935 796 H GLY 108 H GLY 108 20.623 -5.270 -0.008 797 HA2 GLY 108 HA2 GLY 108 22.582 -6.448 -1.282 798 HA3 GLY 108 HA3 GLY 108 23.003 -6.994 0.344 799 H ASP 109 H ASP 109 20.657 -7.429 1.573 800 HA ASP 109 HA ASP 109 19.740 -9.917 0.586 801 HB2 ASP 109 HB2 ASP 109 19.653 -9.382 2.950 802 HB3 ASP 109 HB3 ASP 109 18.591 -7.989 2.650 803 H GLY 110 H GLY 110 18.126 -10.477 -0.714 804 HA2 GLY 110 HA2 GLY 110 16.695 -10.348 -2.460 805 HA3 GLY 110 HA3 GLY 110 15.624 -9.890 -1.155 806 H GLY 111 H GLY 111 15.221 -7.575 -0.823 807 HA2 GLY 111 HA2 GLY 111 16.024 -5.364 -2.118 808 HA3 GLY 111 HA3 GLY 111 15.044 -6.092 -3.380 809 H THR 112 H THR 112 14.771 -5.541 0.190 810 HA THR 112 HA THR 112 12.212 -4.136 -0.270 811 HB THR 112 HB THR 112 11.237 -5.318 1.688 812 HG1 THR 112 HG1 THR 112 12.679 -6.338 2.750 813 HG21 THR 112 HG21 THR 112 10.602 -7.342 0.509 814 HG22 THR 112 HG22 THR 112 11.886 -7.087 -0.684 815 HG23 THR 112 HG23 THR 112 10.558 -5.907 -0.537 816 H THR 113 H THR 113 15.012 -3.245 0.405 817 HA THR 113 HA THR 113 15.317 -2.589 3.075 818 HB THR 113 HB THR 113 16.037 -0.769 0.765 819 HG1 THR 113 HG1 THR 113 17.215 -3.162 1.748 820 HG21 THR 113 HG21 THR 113 18.027 -0.216 2.080 821 HG22 THR 113 HG22 THR 113 17.486 -1.266 3.406 822 HG23 THR 113 HG23 THR 113 16.566 0.187 2.983 823 H PHE 114 H PHE 114 13.039 -1.119 0.830 824 HA PHE 114 HA PHE 114 12.413 1.197 2.188 825 HB2 PHE 114 HB2 PHE 114 10.556 1.408 0.927 826 HB3 PHE 114 HB3 PHE 114 11.517 0.352 -0.069 827 HD1 PHE 114 HD1 PHE 114 8.332 0.932 1.321 828 HD2 PHE 114 HD2 PHE 114 11.023 -2.290 0.344 829 HE1 PHE 114 HE1 PHE 114 6.414 -0.602 1.116 830 HE2 PHE 114 HE2 PHE 114 9.086 -3.850 0.192 831 HZ PHE 114 HZ PHE 114 6.752 -2.965 0.528 832 H GLU 115 H GLU 115 11.787 -2.062 3.352 833 HA GLU 115 HA GLU 115 9.576 -1.790 5.021 834 HB2 GLU 115 HB2 GLU 115 12.273 -3.169 5.342 835 HB3 GLU 115 HB3 GLU 115 11.030 -3.321 6.571 836 HG2 GLU 115 HG2 GLU 115 9.545 -4.496 5.152 837 HG3 GLU 115 HG3 GLU 115 10.467 -4.079 3.698 838 H HIS 116 H HIS 116 12.799 -0.280 5.374 839 HA HIS 116 HA HIS 116 12.530 0.356 8.143 840 HB2 HIS 116 HB2 HIS 116 14.469 1.529 8.002 841 HB3 HIS 116 HB3 HIS 116 14.667 0.413 6.670 842 HD1 HIS 116 HD1 HIS 116 15.056 4.022 7.438 843 HD2 HIS 116 HD2 HIS 116 13.773 1.708 4.125 844 HE1 HIS 116 HE1 HIS 116 15.236 5.473 5.407 845 H LEU 117 H LEU 117 10.855 1.762 5.400 846 HA LEU 117 HA LEU 117 10.495 4.403 6.521 847 HB2 LEU 117 HB2 LEU 117 9.006 2.806 4.392 848 HB3 LEU 117 HB3 LEU 117 8.300 4.249 5.083 849 HG LEU 117 HG LEU 117 10.484 5.478 4.515 850 HD11 LEU 117 HD11 LEU 117 10.773 3.148 2.577 851 HD12 LEU 117 HD12 LEU 117 11.845 3.489 3.943 852 HD13 LEU 117 HD13 LEU 117 11.757 4.632 2.599 853 HD21 LEU 117 HD21 LEU 117 8.678 4.500 2.282 854 HD22 LEU 117 HD22 LEU 117 9.705 5.949 2.214 855 HD23 LEU 117 HD23 LEU 117 8.345 5.867 3.356 856 H TRP 118 H TRP 118 8.933 1.225 7.028 857 HA TRP 118 HA TRP 118 6.685 2.297 8.469 858 HB2 TRP 118 HB2 TRP 118 7.843 -0.480 8.708 859 HB3 TRP 118 HB3 TRP 118 6.186 0.035 8.975 860 HD1 TRP 118 HD1 TRP 118 7.766 -2.032 6.761 861 HE1 TRP 118 HE1 TRP 118 6.666 -2.205 4.503 862 HE3 TRP 118 HE3 TRP 118 5.117 2.317 6.890 863 HZ2 TRP 118 HZ2 TRP 118 4.921 -0.509 2.806 864 HZ3 TRP 118 HZ3 TRP 118 3.670 2.963 5.017 865 HH2 TRP 118 HH2 TRP 118 3.547 1.563 2.959 866 H SER 119 H SER 119 10.003 1.872 9.251 867 HA SER 119 HA SER 119 9.775 1.568 12.105 868 HB2 SER 119 HB2 SER 119 11.753 0.965 10.585 869 HB3 SER 119 HB3 SER 119 12.131 2.697 10.546 870 HG SER 119 HG SER 119 12.103 2.566 12.881 871 H SER 120 H SER 120 8.536 3.990 10.454 872 HA SER 120 HA SER 120 9.062 6.057 12.429 873 HB2 SER 120 HB2 SER 120 10.658 6.294 10.399 874 HB3 SER 120 HB3 SER 120 9.221 6.739 9.470 875 HG SER 120 HG SER 120 8.914 8.460 10.909 876 H LEU 121 H LEU 121 6.940 4.069 11.713 877 HA LEU 121 HA LEU 121 4.716 5.863 10.922 878 HB2 LEU 121 HB2 LEU 121 5.195 3.967 9.302 879 HB3 LEU 121 HB3 LEU 121 4.912 2.830 10.623 880 HG LEU 121 HG LEU 121 2.548 3.577 10.789 881 HD11 LEU 121 HD11 LEU 121 2.727 5.926 10.094 882 HD12 LEU 121 HD12 LEU 121 1.672 5.076 8.987 883 HD13 LEU 121 HD13 LEU 121 3.329 5.430 8.494 884 HD21 LEU 121 HD21 LEU 121 1.731 2.584 8.798 885 HD22 LEU 121 HD22 LEU 121 3.223 1.742 9.222 886 HD23 LEU 121 HD23 LEU 121 3.219 2.943 7.904 887 H GLU 122 H GLU 122 2.680 5.300 12.117 888 HA GLU 122 HA GLU 122 3.116 5.290 14.884 889 HB2 GLU 122 HB2 GLU 122 0.693 4.826 13.115 890 HB3 GLU 122 HB3 GLU 122 0.556 4.511 14.846 891 HG2 GLU 122 HG2 GLU 122 1.424 7.160 13.626 892 HG3 GLU 122 HG3 GLU 122 -0.176 6.795 14.279 893 HA PRO 123 HA PRO 123 3.831 0.869 15.339 894 HB2 PRO 123 HB2 PRO 123 4.136 0.716 18.046 895 HB3 PRO 123 HB3 PRO 123 5.345 1.498 16.985 896 HG2 PRO 123 HG2 PRO 123 3.142 2.826 18.585 897 HG3 PRO 123 HG3 PRO 123 4.871 3.269 18.510 898 HD2 PRO 123 HD2 PRO 123 2.998 4.522 16.984 899 HD3 PRO 123 HD3 PRO 123 4.662 4.232 16.392 900 H ASP 124 H ASP 124 1.333 2.761 16.749 901 HA ASP 124 HA ASP 124 -0.505 0.696 17.642 902 HB2 ASP 124 HB2 ASP 124 -0.715 3.734 17.389 903 HB3 ASP 124 HB3 ASP 124 -1.937 2.689 18.108 904 H SER 125 H SER 125 0.292 0.620 14.773 905 HA SER 125 HA SER 125 -1.508 1.965 13.053 906 HB2 SER 125 HB2 SER 125 -0.620 0.579 11.307 907 HB3 SER 125 HB3 SER 125 0.663 1.249 12.291 908 HG SER 125 HG SER 125 1.159 -0.761 13.032 909 H THR 126 H THR 126 -3.425 1.385 14.480 910 HA THR 126 HA THR 126 -4.744 -1.048 14.241 911 HB THR 126 HB THR 126 -4.979 0.950 15.823 912 HG1 THR 126 HG1 THR 126 -6.728 0.091 16.549 913 HG21 THR 126 HG21 THR 126 -5.544 2.656 14.065 914 HG22 THR 126 HG22 THR 126 -6.646 2.606 15.452 915 HG23 THR 126 HG23 THR 126 -7.137 1.890 13.904 916 H TYR 127 H TYR 127 -3.947 0.410 11.643 917 HA TYR 127 HA TYR 127 -6.369 -0.114 9.996 918 HB2 TYR 127 HB2 TYR 127 -5.628 1.819 8.621 919 HB3 TYR 127 HB3 TYR 127 -6.109 2.271 10.232 920 HD1 TYR 127 HD1 TYR 127 -3.319 2.094 7.864 921 HD2 TYR 127 HD2 TYR 127 -4.426 3.019 11.931 922 HE1 TYR 127 HE1 TYR 127 -1.114 3.130 8.232 923 HE2 TYR 127 HE2 TYR 127 -2.251 4.115 12.284 924 HH TYR 127 HH TYR 127 -0.036 4.263 11.388 925 H PHE 128 H PHE 128 -2.996 -0.772 10.613 926 HA PHE 128 HA PHE 128 -2.689 -2.160 8.023 927 HB2 PHE 128 HB2 PHE 128 -1.071 -0.006 9.249 928 HB3 PHE 128 HB3 PHE 128 -0.138 -1.455 8.971 929 HD1 PHE 128 HD1 PHE 128 1.242 -1.008 7.121 930 HD2 PHE 128 HD2 PHE 128 -2.912 0.181 6.892 931 HE1 PHE 128 HE1 PHE 128 1.489 -0.535 4.715 932 HE2 PHE 128 HE2 PHE 128 -2.651 0.631 4.505 933 HZ PHE 128 HZ PHE 128 -0.486 0.259 3.381 934 H ASP 129 H ASP 129 -0.398 -3.654 8.705 935 HA ASP 129 HA ASP 129 -1.628 -5.348 10.806 936 HB2 ASP 129 HB2 ASP 129 -1.147 -6.370 8.551 937 HB3 ASP 129 HB3 ASP 129 0.576 -6.214 8.918 938 H LEU 130 H LEU 130 -0.829 -5.356 12.706 939 HA LEU 130 HA LEU 130 1.355 -3.782 13.610 940 HB2 LEU 130 HB2 LEU 130 0.024 -6.168 14.966 941 HB3 LEU 130 HB3 LEU 130 1.005 -4.948 15.768 942 HG LEU 130 HG LEU 130 -1.681 -4.412 14.437 943 HD11 LEU 130 HD11 LEU 130 -2.540 -4.215 16.721 944 HD12 LEU 130 HD12 LEU 130 -0.946 -4.628 17.380 945 HD13 LEU 130 HD13 LEU 130 -1.864 -5.824 16.439 946 HD21 LEU 130 HD21 LEU 130 -1.570 -2.227 15.616 947 HD22 LEU 130 HD22 LEU 130 -0.286 -2.401 14.419 948 HD23 LEU 130 HD23 LEU 130 0.086 -2.600 16.146 Start of MODEL 11 1 H1 ALA 1 H ALA 1 17.034 -7.166 -11.316 2 HA ALA 1 HA ALA 1 16.481 -9.361 -13.198 3 HB1 ALA 1 HB1 ALA 1 18.265 -10.665 -12.139 4 HB2 ALA 1 HB2 ALA 1 18.904 -9.180 -12.834 5 HB3 ALA 1 HB3 ALA 1 18.661 -9.299 -11.078 6 H THR 2 H THR 2 16.210 -11.517 -11.917 7 HA THR 2 HA THR 2 13.846 -11.206 -10.348 8 HB THR 2 HB THR 2 14.233 -13.775 -10.234 9 HG1 THR 2 HG1 THR 2 16.456 -13.799 -10.757 10 HG21 THR 2 HG21 THR 2 13.532 -14.040 -12.584 11 HG22 THR 2 HG22 THR 2 14.025 -12.373 -12.937 12 HG23 THR 2 HG23 THR 2 12.689 -12.683 -11.810 13 H GLN 3 H GLN 3 13.508 -12.216 -8.230 14 HA GLN 3 HA GLN 3 15.823 -12.107 -6.371 15 HB2 GLN 3 HB2 GLN 3 13.022 -10.988 -5.948 16 HB3 GLN 3 HB3 GLN 3 14.344 -10.976 -4.783 17 HG2 GLN 3 HG2 GLN 3 15.628 -9.423 -6.215 18 HG3 GLN 3 HG3 GLN 3 14.375 -9.476 -7.452 19 HE21 GLN 3 HE21 GLN 3 14.673 -6.978 -6.889 20 HE22 GLN 3 HE22 GLN 3 13.595 -6.412 -5.628 21 H SER 4 H SER 4 15.914 -14.046 -5.344 22 HA SER 4 HA SER 4 13.936 -16.054 -5.826 23 HB2 SER 4 HB2 SER 4 16.535 -16.173 -5.277 24 HB3 SER 4 HB3 SER 4 15.972 -16.233 -3.595 25 HG SER 4 HG SER 4 16.016 -18.311 -4.276 26 HA PRO 5 HA PRO 5 11.351 -15.156 -2.254 27 HB2 PRO 5 HB2 PRO 5 9.888 -17.418 -1.992 28 HB3 PRO 5 HB3 PRO 5 9.712 -16.375 -3.439 29 HG2 PRO 5 HG2 PRO 5 11.363 -18.898 -3.142 30 HG3 PRO 5 HG3 PRO 5 10.246 -18.449 -4.475 31 HD2 PRO 5 HD2 PRO 5 12.987 -18.115 -4.535 32 HD3 PRO 5 HD3 PRO 5 11.858 -17.073 -5.450 33 H GLY 6 H GLY 6 11.098 -15.985 0.027 34 HA2 GLY 6 HA2 GLY 6 11.908 -17.883 1.565 35 HA3 GLY 6 HA3 GLY 6 13.517 -17.505 0.950 36 H ASP 7 H ASP 7 10.941 -15.102 1.636 37 HA ASP 7 HA ASP 7 12.241 -14.158 4.092 38 HB2 ASP 7 HB2 ASP 7 13.406 -12.843 2.392 39 HB3 ASP 7 HB3 ASP 7 11.867 -12.408 1.643 40 H SER 8 H SER 8 10.505 -14.174 5.431 41 HA SER 8 HA SER 8 7.842 -14.396 4.513 42 HB2 SER 8 HB2 SER 8 8.787 -13.564 7.269 43 HB3 SER 8 HB3 SER 8 7.245 -14.320 6.818 44 HG SER 8 HG SER 8 8.262 -16.049 7.334 45 H ARG 9 H ARG 9 9.818 -11.482 5.167 46 HA ARG 9 HA ARG 9 7.713 -9.595 5.429 47 HB2 ARG 9 HB2 ARG 9 10.338 -9.232 3.919 48 HB3 ARG 9 HB3 ARG 9 9.292 -7.934 4.477 49 HG2 ARG 9 HG2 ARG 9 9.817 -8.346 6.780 50 HG3 ARG 9 HG3 ARG 9 10.650 -9.869 6.382 51 HD2 ARG 9 HD2 ARG 9 12.255 -8.584 4.942 52 HD3 ARG 9 HD3 ARG 9 11.486 -7.105 5.438 53 HE ARG 9 HE ARG 9 12.499 -7.160 7.450 54 HH11 ARG 9 HH11 ARG 9 12.938 -10.321 5.800 55 HH12 ARG 9 HH12 ARG 9 14.410 -10.666 6.693 56 HH21 ARG 9 HH21 ARG 9 14.434 -7.816 8.680 57 HH22 ARG 9 HH22 ARG 9 15.167 -9.360 8.299 58 H ARG 10 H ARG 10 9.283 -10.934 2.509 59 HA ARG 10 HA ARG 10 7.966 -9.325 0.579 60 HB2 ARG 10 HB2 ARG 10 8.886 -12.216 0.391 61 HB3 ARG 10 HB3 ARG 10 8.382 -11.271 -0.980 62 HG2 ARG 10 HG2 ARG 10 10.728 -10.476 0.787 63 HG3 ARG 10 HG3 ARG 10 10.896 -11.512 -0.624 64 HD2 ARG 10 HD2 ARG 10 9.797 -8.682 -0.686 65 HD3 ARG 10 HD3 ARG 10 11.472 -9.123 -1.051 66 HE ARG 10 HE ARG 10 10.132 -10.710 -2.772 67 HH11 ARG 10 HH11 ARG 10 9.991 -7.247 -2.154 68 HH12 ARG 10 HH12 ARG 10 9.349 -6.812 -3.706 69 HH21 ARG 10 HH21 ARG 10 9.292 -10.170 -4.895 70 HH22 ARG 10 HH22 ARG 10 8.769 -8.580 -5.240 71 H LEU 11 H LEU 11 6.872 -12.316 2.227 72 HA LEU 11 HA LEU 11 4.476 -12.597 0.639 73 HB2 LEU 11 HB2 LEU 11 5.372 -13.767 3.302 74 HB3 LEU 11 HB3 LEU 11 3.737 -13.955 2.699 75 HG LEU 11 HG LEU 11 4.601 -14.987 0.597 76 HD11 LEU 11 HD11 LEU 11 6.947 -15.906 0.640 77 HD12 LEU 11 HD12 LEU 11 7.290 -14.874 2.040 78 HD13 LEU 11 HD13 LEU 11 6.886 -14.157 0.459 79 HD21 LEU 11 HD21 LEU 11 5.419 -16.256 3.229 80 HD22 LEU 11 HD22 LEU 11 5.190 -17.149 1.704 81 HD23 LEU 11 HD23 LEU 11 3.815 -16.345 2.482 82 H SER 12 H SER 12 5.148 -11.184 3.934 83 HA SER 12 HA SER 12 2.509 -10.359 4.439 84 HB2 SER 12 HB2 SER 12 5.097 -8.980 5.267 85 HB3 SER 12 HB3 SER 12 3.490 -8.705 5.967 86 HG SER 12 HG SER 12 4.363 -10.164 7.271 87 H ILE 13 H ILE 13 5.125 -8.523 2.787 88 HA ILE 13 HA ILE 13 3.686 -6.230 2.166 89 HB ILE 13 HB ILE 13 5.902 -7.676 0.653 90 HG12 ILE 13 HG12 ILE 13 6.040 -5.083 2.245 91 HG13 ILE 13 HG13 ILE 13 6.266 -6.662 2.989 92 HG21 ILE 13 HG21 ILE 13 4.743 -4.917 0.088 93 HG22 ILE 13 HG22 ILE 13 6.289 -5.502 -0.572 94 HG23 ILE 13 HG23 ILE 13 4.804 -6.321 -1.005 95 HD11 ILE 13 HD11 ILE 13 8.432 -5.699 2.488 96 HD12 ILE 13 HD12 ILE 13 8.182 -7.114 1.452 97 HD13 ILE 13 HD13 ILE 13 8.006 -5.475 0.784 98 H GLN 14 H GLN 14 3.878 -9.283 0.284 99 HA GLN 14 HA GLN 14 2.099 -8.377 -1.792 100 HB2 GLN 14 HB2 GLN 14 2.852 -11.185 -0.893 101 HB3 GLN 14 HB3 GLN 14 1.637 -10.878 -2.144 102 HG2 GLN 14 HG2 GLN 14 3.304 -9.473 -3.376 103 HG3 GLN 14 HG3 GLN 14 4.515 -9.965 -2.197 104 HE21 GLN 14 HE21 GLN 14 2.221 -11.258 -4.668 105 HE22 GLN 14 HE22 GLN 14 3.210 -12.655 -5.057 106 H ARG 15 H ARG 15 1.409 -10.158 1.257 107 HA ARG 15 HA ARG 15 -1.384 -10.459 0.829 108 HB2 ARG 15 HB2 ARG 15 0.193 -10.117 3.417 109 HB3 ARG 15 HB3 ARG 15 -1.511 -10.554 3.353 110 HG2 ARG 15 HG2 ARG 15 -1.050 -12.633 2.259 111 HG3 ARG 15 HG3 ARG 15 0.633 -12.206 1.966 112 HD2 ARG 15 HD2 ARG 15 0.804 -13.626 3.810 113 HD3 ARG 15 HD3 ARG 15 0.868 -12.013 4.528 114 HE ARG 15 HE ARG 15 -1.823 -13.099 4.369 115 HH11 ARG 15 HH11 ARG 15 1.087 -12.990 6.456 116 HH12 ARG 15 HH12 ARG 15 0.148 -13.384 7.885 117 HH21 ARG 15 HH21 ARG 15 -2.933 -13.531 6.215 118 HH22 ARG 15 HH22 ARG 15 -2.214 -13.348 7.785 119 H ALA 16 H ALA 16 0.432 -7.784 2.419 120 HA ALA 16 HA ALA 16 -1.829 -6.213 3.042 121 HB1 ALA 16 HB1 ALA 16 0.407 -5.851 4.017 122 HB2 ALA 16 HB2 ALA 16 1.026 -5.327 2.436 123 HB3 ALA 16 HB3 ALA 16 -0.223 -4.369 3.265 124 H ILE 17 H ILE 17 0.257 -6.209 0.087 125 HA ILE 17 HA ILE 17 -1.126 -4.046 -1.190 126 HB ILE 17 HB ILE 17 0.481 -6.383 -2.306 127 HG12 ILE 17 HG12 ILE 17 1.330 -3.460 -2.177 128 HG13 ILE 17 HG13 ILE 17 1.537 -4.508 -0.786 129 HG21 ILE 17 HG21 ILE 17 0.746 -4.957 -4.378 130 HG22 ILE 17 HG22 ILE 17 -0.915 -5.558 -4.127 131 HG23 ILE 17 HG23 ILE 17 -0.504 -3.880 -3.723 132 HD11 ILE 17 HD11 ILE 17 2.872 -6.097 -2.135 133 HD12 ILE 17 HD12 ILE 17 2.731 -5.040 -3.534 134 HD13 ILE 17 HD13 ILE 17 3.581 -4.464 -2.087 135 H GLN 18 H GLN 18 -1.591 -7.605 -1.340 136 HA GLN 18 HA GLN 18 -3.752 -7.651 -3.161 137 HB2 GLN 18 HB2 GLN 18 -2.851 -9.554 -0.966 138 HB3 GLN 18 HB3 GLN 18 -4.226 -9.897 -2.008 139 HG2 GLN 18 HG2 GLN 18 -2.847 -9.898 -3.995 140 HG3 GLN 18 HG3 GLN 18 -1.440 -9.339 -3.106 141 HE21 GLN 18 HE21 GLN 18 -3.713 -12.106 -3.382 142 HE22 GLN 18 HE22 GLN 18 -2.602 -13.327 -2.811 143 H SER 19 H SER 19 -3.758 -7.227 0.447 144 HA SER 19 HA SER 19 -6.650 -7.443 0.579 145 HB2 SER 19 HB2 SER 19 -6.360 -6.756 2.904 146 HB3 SER 19 HB3 SER 19 -5.249 -8.071 2.470 147 HG SER 19 HG SER 19 -4.102 -6.483 3.639 148 H LEU 20 H LEU 20 -4.302 -4.800 0.197 149 HA LEU 20 HA LEU 20 -6.215 -2.728 0.697 150 HB2 LEU 20 HB2 LEU 20 -3.478 -2.828 0.534 151 HB3 LEU 20 HB3 LEU 20 -3.841 -2.073 -0.994 152 HG LEU 20 HG LEU 20 -4.862 -1.163 1.727 153 HD11 LEU 20 HD11 LEU 20 -2.584 -0.041 0.073 154 HD12 LEU 20 HD12 LEU 20 -2.409 -1.020 1.536 155 HD13 LEU 20 HD13 LEU 20 -3.165 0.573 1.644 156 HD21 LEU 20 HD21 LEU 20 -4.988 0.249 -0.940 157 HD22 LEU 20 HD22 LEU 20 -5.456 0.943 0.633 158 HD23 LEU 20 HD23 LEU 20 -6.356 -0.417 -0.027 159 H VAL 21 H VAL 21 -4.745 -3.958 -2.384 160 HA VAL 21 HA VAL 21 -6.323 -2.351 -4.087 161 HB VAL 21 HB VAL 21 -4.307 -3.608 -4.779 162 HG11 VAL 21 HG11 VAL 21 -4.267 -5.912 -5.292 163 HG12 VAL 21 HG12 VAL 21 -4.966 -5.812 -3.672 164 HG13 VAL 21 HG13 VAL 21 -6.021 -6.106 -5.062 165 HG21 VAL 21 HG21 VAL 21 -5.699 -2.713 -6.531 166 HG22 VAL 21 HG22 VAL 21 -5.185 -4.331 -7.029 167 HG23 VAL 21 HG23 VAL 21 -6.825 -4.077 -6.431 168 H HIS 22 H HIS 22 -7.007 -5.608 -2.693 169 HA HIS 22 HA HIS 22 -9.493 -5.918 -4.012 170 HB2 HIS 22 HB2 HIS 22 -8.458 -7.817 -2.955 171 HB3 HIS 22 HB3 HIS 22 -8.431 -7.006 -1.381 172 HD1 HIS 22 HD1 HIS 22 -11.363 -7.868 -3.844 173 HD2 HIS 22 HD2 HIS 22 -10.255 -7.794 0.230 174 HE1 HIS 22 HE1 HIS 22 -13.384 -8.610 -2.526 175 H ALA 23 H ALA 23 -8.841 -4.662 -0.617 176 HA ALA 23 HA ALA 23 -11.475 -4.070 -0.035 177 HB1 ALA 23 HB1 ALA 23 -9.788 -3.985 1.653 178 HB2 ALA 23 HB2 ALA 23 -8.955 -2.632 0.831 179 HB3 ALA 23 HB3 ALA 23 -10.550 -2.382 1.567 180 H ALA 24 H ALA 24 -9.197 -2.087 -1.887 181 HA ALA 24 HA ALA 24 -10.669 0.330 -1.900 182 HB1 ALA 24 HB1 ALA 24 -9.134 0.900 -3.789 183 HB2 ALA 24 HB2 ALA 24 -8.273 0.197 -2.396 184 HB3 ALA 24 HB3 ALA 24 -8.599 -0.803 -3.821 185 H GLN 25 H GLN 25 -11.197 -2.591 -3.769 186 HA GLN 25 HA GLN 25 -13.244 -1.110 -5.349 187 HB2 GLN 25 HB2 GLN 25 -12.828 -2.422 -7.270 188 HB3 GLN 25 HB3 GLN 25 -11.320 -1.646 -6.821 189 HG2 GLN 25 HG2 GLN 25 -10.269 -3.611 -6.263 190 HG3 GLN 25 HG3 GLN 25 -11.731 -4.420 -5.727 191 HE21 GLN 25 HE21 GLN 25 -9.455 -5.080 -7.831 192 HE22 GLN 25 HE22 GLN 25 -10.361 -5.503 -9.251 193 H CYS 26 H CYS 26 -12.730 -3.380 -2.995 194 HA CYS 26 HA CYS 26 -14.449 -5.479 -3.654 195 HB2 CYS 26 HB2 CYS 26 -12.888 -5.819 -2.023 196 HB3 CYS 26 HB3 CYS 26 -13.297 -4.389 -1.119 197 H ARG 27 H ARG 27 -16.307 -4.877 -4.533 198 HA ARG 27 HA ARG 27 -18.174 -3.098 -3.030 199 HB2 ARG 27 HB2 ARG 27 -19.618 -3.193 -4.978 200 HB3 ARG 27 HB3 ARG 27 -17.989 -2.672 -5.388 201 HG2 ARG 27 HG2 ARG 27 -17.508 -4.993 -6.263 202 HG3 ARG 27 HG3 ARG 27 -19.186 -5.433 -5.908 203 HD2 ARG 27 HD2 ARG 27 -18.998 -4.875 -8.255 204 HD3 ARG 27 HD3 ARG 27 -19.946 -3.623 -7.433 205 HE ARG 27 HE ARG 27 -17.043 -3.179 -7.742 206 HH11 ARG 27 HH11 ARG 27 -20.211 -2.476 -9.194 207 HH12 ARG 27 HH12 ARG 27 -19.824 -0.795 -9.539 208 HH21 ARG 27 HH21 ARG 27 -16.451 -1.066 -8.541 209 HH22 ARG 27 HH22 ARG 27 -17.622 -0.095 -9.356 210 H ASN 28 H ASN 28 -17.315 -6.334 -3.154 211 HA ASN 28 HA ASN 28 -19.829 -7.673 -2.765 212 HB2 ASN 28 HB2 ASN 28 -16.922 -8.416 -2.152 213 HB3 ASN 28 HB3 ASN 28 -18.279 -9.508 -1.948 214 HD21 ASN 28 HD21 ASN 28 -17.445 -11.017 -3.412 215 HD22 ASN 28 HD22 ASN 28 -17.277 -10.734 -5.122 216 H ALA 29 H ALA 29 -20.875 -8.071 -0.843 217 HA ALA 29 HA ALA 29 -19.800 -6.841 1.671 218 HB1 ALA 29 HB1 ALA 29 -22.611 -7.826 1.001 219 HB2 ALA 29 HB2 ALA 29 -22.099 -7.074 2.521 220 HB3 ALA 29 HB3 ALA 29 -22.091 -6.123 1.033 221 H ASN 30 H ASN 30 -20.426 -9.810 0.003 222 HA ASN 30 HA ASN 30 -20.815 -11.500 2.283 223 HB2 ASN 30 HB2 ASN 30 -21.747 -11.882 0.004 224 HB3 ASN 30 HB3 ASN 30 -20.119 -12.221 -0.576 225 HD21 ASN 30 HD21 ASN 30 -22.370 -13.269 2.102 226 HD22 ASN 30 HD22 ASN 30 -21.998 -14.970 1.845 227 H CYS 31 H CYS 31 -17.814 -10.715 0.425 228 HA CYS 31 HA CYS 31 -16.422 -13.006 1.400 229 HB2 CYS 31 HB2 CYS 31 -14.370 -11.854 0.697 230 HB3 CYS 31 HB3 CYS 31 -15.622 -11.951 -0.533 231 H SER 32 H SER 32 -14.731 -13.092 2.990 232 HA SER 32 HA SER 32 -14.842 -11.090 5.139 233 HB2 SER 32 HB2 SER 32 -15.961 -13.884 5.477 234 HB3 SER 32 HB3 SER 32 -15.358 -12.925 6.847 235 HG SER 32 HG SER 32 -17.109 -11.727 4.991 236 H LEU 33 H LEU 33 -12.815 -10.640 5.067 237 HA LEU 33 HA LEU 33 -10.802 -12.682 5.730 238 HB2 LEU 33 HB2 LEU 33 -10.520 -10.442 3.665 239 HB3 LEU 33 HB3 LEU 33 -9.184 -11.292 4.414 240 HG LEU 33 HG LEU 33 -10.122 -13.444 3.390 241 HD11 LEU 33 HD11 LEU 33 -11.406 -13.116 1.279 242 HD12 LEU 33 HD12 LEU 33 -11.720 -11.431 1.736 243 HD13 LEU 33 HD13 LEU 33 -12.368 -12.783 2.697 244 HD21 LEU 33 HD21 LEU 33 -8.132 -12.214 2.585 245 HD22 LEU 33 HD22 LEU 33 -9.172 -11.241 1.515 246 HD23 LEU 33 HD23 LEU 33 -9.019 -12.998 1.269 247 HA PRO 34 HA PRO 34 -10.686 -9.539 8.909 248 HB2 PRO 34 HB2 PRO 34 -8.157 -9.895 9.961 249 HB3 PRO 34 HB3 PRO 34 -9.552 -10.957 10.307 250 HG2 PRO 34 HG2 PRO 34 -7.362 -11.383 8.254 251 HG3 PRO 34 HG3 PRO 34 -8.019 -12.560 9.442 252 HD2 PRO 34 HD2 PRO 34 -8.839 -12.541 6.866 253 HD3 PRO 34 HD3 PRO 34 -10.019 -12.829 8.183 254 H SER 35 H SER 35 -7.828 -9.872 6.725 255 HA SER 35 HA SER 35 -6.885 -7.279 6.917 256 HB2 SER 35 HB2 SER 35 -6.698 -9.011 4.487 257 HB3 SER 35 HB3 SER 35 -5.556 -7.800 5.064 258 HG SER 35 HG SER 35 -4.689 -9.296 6.280 259 H CYS 36 H CYS 36 -9.448 -8.616 4.791 260 HA CYS 36 HA CYS 36 -9.763 -6.344 3.075 261 HB2 CYS 36 HB2 CYS 36 -10.714 -8.556 2.547 262 HB3 CYS 36 HB3 CYS 36 -11.764 -8.475 3.974 263 H GLN 37 H GLN 37 -11.523 -7.361 5.986 264 HA GLN 37 HA GLN 37 -13.199 -5.135 6.319 265 HB2 GLN 37 HB2 GLN 37 -11.965 -6.971 8.415 266 HB3 GLN 37 HB3 GLN 37 -13.288 -5.860 8.718 267 HG2 GLN 37 HG2 GLN 37 -13.413 -8.126 6.675 268 HG3 GLN 37 HG3 GLN 37 -13.943 -8.232 8.345 269 HE21 GLN 37 HE21 GLN 37 -14.968 -7.437 5.151 270 HE22 GLN 37 HE22 GLN 37 -16.500 -6.749 5.603 271 H LYS 38 H LYS 38 -9.940 -5.623 7.802 272 HA LYS 38 HA LYS 38 -10.040 -3.037 9.108 273 HB2 LYS 38 HB2 LYS 38 -7.697 -3.299 9.606 274 HB3 LYS 38 HB3 LYS 38 -8.599 -4.797 9.910 275 HG2 LYS 38 HG2 LYS 38 -7.821 -5.700 7.788 276 HG3 LYS 38 HG3 LYS 38 -6.825 -4.301 7.492 277 HD2 LYS 38 HD2 LYS 38 -6.511 -6.265 9.806 278 HD3 LYS 38 HD3 LYS 38 -5.536 -6.226 8.323 279 HE2 LYS 38 HE2 LYS 38 -4.839 -3.885 8.892 280 HE3 LYS 38 HE3 LYS 38 -5.705 -4.011 10.425 281 HZ1 LYS 38 HZ1 LYS 38 -4.170 -5.831 11.025 282 HZ2 LYS 38 HZ2 LYS 38 -3.350 -4.463 10.640 283 HZ3 LYS 38 HZ3 LYS 38 -3.450 -5.705 9.555 284 H MET 39 H MET 39 -8.720 -4.053 5.899 285 HA MET 39 HA MET 39 -7.614 -1.534 5.313 286 HB2 MET 39 HB2 MET 39 -8.501 -3.836 3.558 287 HB3 MET 39 HB3 MET 39 -7.831 -2.341 2.897 288 HG2 MET 39 HG2 MET 39 -6.375 -4.155 4.858 289 HG3 MET 39 HG3 MET 39 -6.139 -4.092 3.120 290 HE1 MET 39 HE1 MET 39 -2.838 -2.410 3.704 291 HE2 MET 39 HE2 MET 39 -3.516 -3.911 4.389 292 HE3 MET 39 HE3 MET 39 -3.832 -3.480 2.695 293 H LYS 40 H LYS 40 -10.941 -2.765 4.999 294 HA LYS 40 HA LYS 40 -12.002 -0.900 3.276 295 HB2 LYS 40 HB2 LYS 40 -13.100 -2.708 5.282 296 HB3 LYS 40 HB3 LYS 40 -13.973 -1.188 5.294 297 HG2 LYS 40 HG2 LYS 40 -15.101 -2.571 3.762 298 HG3 LYS 40 HG3 LYS 40 -14.214 -1.390 2.777 299 HD2 LYS 40 HD2 LYS 40 -12.480 -3.112 2.307 300 HD3 LYS 40 HD3 LYS 40 -13.309 -4.236 3.395 301 HE2 LYS 40 HE2 LYS 40 -13.806 -4.796 1.128 302 HE3 LYS 40 HE3 LYS 40 -15.276 -4.252 1.931 303 HZ1 LYS 40 HZ1 LYS 40 -15.187 -2.210 0.750 304 HZ2 LYS 40 HZ2 LYS 40 -14.948 -3.388 -0.318 305 HZ3 LYS 40 HZ3 LYS 40 -13.660 -2.490 0.158 306 H ARG 41 H ARG 41 -11.235 -0.396 6.696 307 HA ARG 41 HA ARG 41 -12.505 2.178 6.937 308 HB2 ARG 41 HB2 ARG 41 -10.014 1.186 8.424 309 HB3 ARG 41 HB3 ARG 41 -11.064 2.511 8.919 310 HG2 ARG 41 HG2 ARG 41 -11.847 -0.431 8.785 311 HG3 ARG 41 HG3 ARG 41 -11.418 0.459 10.247 312 HD2 ARG 41 HD2 ARG 41 -13.359 1.911 10.038 313 HD3 ARG 41 HD3 ARG 41 -13.729 1.244 8.445 314 HE ARG 41 HE ARG 41 -14.314 -0.839 9.365 315 HH11 ARG 41 HH11 ARG 41 -13.818 1.578 11.965 316 HH12 ARG 41 HH12 ARG 41 -14.936 0.831 13.038 317 HH21 ARG 41 HH21 ARG 41 -15.556 -1.908 10.842 318 HH22 ARG 41 HH22 ARG 41 -15.787 -1.294 12.451 319 H VAL 42 H VAL 42 -9.063 1.364 6.184 320 HA VAL 42 HA VAL 42 -8.393 4.142 5.908 321 HB VAL 42 HB VAL 42 -6.269 3.356 4.991 322 HG11 VAL 42 HG11 VAL 42 -5.447 2.307 7.023 323 HG12 VAL 42 HG12 VAL 42 -6.583 3.606 7.410 324 HG13 VAL 42 HG13 VAL 42 -7.097 1.909 7.535 325 HG21 VAL 42 HG21 VAL 42 -5.651 1.007 4.949 326 HG22 VAL 42 HG22 VAL 42 -7.254 0.529 5.516 327 HG23 VAL 42 HG23 VAL 42 -7.043 1.218 3.884 328 H VAL 43 H VAL 43 -9.522 1.665 3.515 329 HA VAL 43 HA VAL 43 -8.991 3.432 1.321 330 HB VAL 43 HB VAL 43 -10.407 2.010 -0.049 331 HG11 VAL 43 HG11 VAL 43 -8.493 0.462 1.758 332 HG12 VAL 43 HG12 VAL 43 -9.001 0.006 0.124 333 HG13 VAL 43 HG13 VAL 43 -8.029 1.461 0.367 334 HG21 VAL 43 HG21 VAL 43 -12.169 1.378 1.471 335 HG22 VAL 43 HG22 VAL 43 -11.345 -0.061 0.847 336 HG23 VAL 43 HG23 VAL 43 -10.957 0.547 2.464 337 H GLN 44 H GLN 44 -11.880 3.004 3.453 338 HA GLN 44 HA GLN 44 -13.539 4.797 2.001 339 HB2 GLN 44 HB2 GLN 44 -14.415 3.223 3.643 340 HB3 GLN 44 HB3 GLN 44 -13.505 3.993 4.952 341 HG2 GLN 44 HG2 GLN 44 -14.803 6.021 4.752 342 HG3 GLN 44 HG3 GLN 44 -15.654 5.412 3.322 343 HE21 GLN 44 HE21 GLN 44 -16.402 6.176 6.294 344 HE22 GLN 44 HE22 GLN 44 -17.522 4.907 6.740 345 H HIS 45 H HIS 45 -11.087 5.357 4.525 346 HA HIS 45 HA HIS 45 -11.666 8.151 4.866 347 HB2 HIS 45 HB2 HIS 45 -10.634 6.905 6.607 348 HB3 HIS 45 HB3 HIS 45 -9.371 6.284 5.550 349 HD1 HIS 45 HD1 HIS 45 -10.316 9.557 7.415 350 HD2 HIS 45 HD2 HIS 45 -7.143 7.725 5.270 351 HE1 HIS 45 HE1 HIS 45 -8.283 11.021 7.666 352 H THR 46 H THR 46 -8.925 6.466 3.171 353 HA THR 46 HA THR 46 -7.750 8.706 2.024 354 HB THR 46 HB THR 46 -6.823 7.103 0.317 355 HG1 THR 46 HG1 THR 46 -8.265 5.156 1.742 356 HG21 THR 46 HG21 THR 46 -5.410 7.053 2.116 357 HG22 THR 46 HG22 THR 46 -5.948 5.384 2.163 358 HG23 THR 46 HG23 THR 46 -6.679 6.524 3.273 359 H LYS 47 H LYS 47 -10.516 6.869 0.827 360 HA LYS 47 HA LYS 47 -10.720 7.865 -1.774 361 HB2 LYS 47 HB2 LYS 47 -11.924 5.999 -0.854 362 HB3 LYS 47 HB3 LYS 47 -12.830 7.037 0.256 363 HG2 LYS 47 HG2 LYS 47 -14.050 8.015 -1.621 364 HG3 LYS 47 HG3 LYS 47 -13.082 7.072 -2.777 365 HD2 LYS 47 HD2 LYS 47 -14.812 5.848 -0.577 366 HD3 LYS 47 HD3 LYS 47 -15.332 6.089 -2.255 367 HE2 LYS 47 HE2 LYS 47 -13.304 4.728 -2.976 368 HE3 LYS 47 HE3 LYS 47 -13.056 4.289 -1.283 369 HZ1 LYS 47 HZ1 LYS 47 -15.176 3.149 -1.318 370 HZ2 LYS 47 HZ2 LYS 47 -14.335 2.658 -2.617 371 HZ3 LYS 47 HZ3 LYS 47 -15.521 3.749 -2.825 372 H GLY 48 H GLY 48 -11.491 9.477 1.251 373 HA2 GLY 48 HA2 GLY 48 -12.548 11.845 -0.214 374 HA3 GLY 48 HA3 GLY 48 -12.867 11.441 1.463 375 H CYS 49 H CYS 49 -9.593 10.858 1.185 376 HA CYS 49 HA CYS 49 -8.849 13.167 2.665 377 HB2 CYS 49 HB2 CYS 49 -7.293 10.886 1.436 378 HB3 CYS 49 HB3 CYS 49 -6.484 12.195 2.259 379 H LYS 50 H LYS 50 -9.520 14.909 1.297 380 HA LYS 50 HA LYS 50 -7.880 15.473 -1.058 381 HB2 LYS 50 HB2 LYS 50 -10.231 16.217 -0.809 382 HB3 LYS 50 HB3 LYS 50 -9.800 17.188 0.585 383 HG2 LYS 50 HG2 LYS 50 -10.042 18.669 -1.243 384 HG3 LYS 50 HG3 LYS 50 -8.313 18.595 -0.931 385 HD2 LYS 50 HD2 LYS 50 -8.031 16.992 -2.785 386 HD3 LYS 50 HD3 LYS 50 -9.787 16.982 -3.062 387 HE2 LYS 50 HE2 LYS 50 -9.637 19.500 -3.413 388 HE3 LYS 50 HE3 LYS 50 -7.883 19.348 -3.416 389 HZ1 LYS 50 HZ1 LYS 50 -9.710 17.948 -5.292 390 HZ2 LYS 50 HZ2 LYS 50 -8.068 17.975 -5.409 391 HZ3 LYS 50 HZ3 LYS 50 -8.978 19.346 -5.616 392 H ARG 51 H ARG 51 -7.599 16.185 2.370 393 HA ARG 51 HA ARG 51 -5.735 18.261 2.241 394 HB2 ARG 51 HB2 ARG 51 -7.019 17.572 4.250 395 HB3 ARG 51 HB3 ARG 51 -5.974 16.160 4.438 396 HG2 ARG 51 HG2 ARG 51 -4.052 17.619 4.852 397 HG3 ARG 51 HG3 ARG 51 -5.004 19.062 4.512 398 HD2 ARG 51 HD2 ARG 51 -5.722 17.119 6.752 399 HD3 ARG 51 HD3 ARG 51 -4.530 18.410 6.959 400 HE ARG 51 HE ARG 51 -6.796 19.652 5.908 401 HH11 ARG 51 HH11 ARG 51 -5.915 17.981 8.952 402 HH12 ARG 51 HH12 ARG 51 -6.846 19.092 9.925 403 HH21 ARG 51 HH21 ARG 51 -7.889 21.085 7.254 404 HH22 ARG 51 HH22 ARG 51 -8.031 20.772 8.953 405 H LYS 52 H LYS 52 -5.192 14.953 1.449 406 HA LYS 52 HA LYS 52 -2.548 14.514 2.080 407 HB2 LYS 52 HB2 LYS 52 -2.521 12.843 0.410 408 HB3 LYS 52 HB3 LYS 52 -4.149 12.918 1.074 409 HG2 LYS 52 HG2 LYS 52 -4.786 14.322 -0.992 410 HG3 LYS 52 HG3 LYS 52 -3.195 13.904 -1.654 411 HD2 LYS 52 HD2 LYS 52 -3.735 11.488 -1.474 412 HD3 LYS 52 HD3 LYS 52 -5.275 11.893 -0.697 413 HE2 LYS 52 HE2 LYS 52 -5.804 11.328 -2.910 414 HE3 LYS 52 HE3 LYS 52 -6.016 13.063 -2.761 415 HZ1 LYS 52 HZ1 LYS 52 -3.895 13.329 -3.960 416 HZ2 LYS 52 HZ2 LYS 52 -4.984 12.468 -4.807 417 HZ3 LYS 52 HZ3 LYS 52 -3.746 11.671 -4.086 418 H THR 53 H THR 53 -3.686 16.775 -0.336 419 HA THR 53 HA THR 53 -1.176 16.989 -1.777 420 HB THR 53 HB THR 53 -3.549 17.206 -2.641 421 HG1 THR 53 HG1 THR 53 -1.666 18.038 -3.802 422 HG21 THR 53 HG21 THR 53 -4.400 18.769 -0.841 423 HG22 THR 53 HG22 THR 53 -4.723 19.325 -2.491 424 HG23 THR 53 HG23 THR 53 -3.405 20.040 -1.549 425 H ASN 54 H ASN 54 -2.314 18.304 1.207 426 HA ASN 54 HA ASN 54 -0.445 20.631 1.036 427 HB2 ASN 54 HB2 ASN 54 -2.894 21.119 1.420 428 HB3 ASN 54 HB3 ASN 54 -2.800 20.239 2.944 429 HD21 ASN 54 HD21 ASN 54 -1.941 21.412 4.799 430 HD22 ASN 54 HD22 ASN 54 -1.135 22.933 4.619 431 H GLY 55 H GLY 55 -1.774 18.222 3.366 432 HA2 GLY 55 HA2 GLY 55 0.712 17.196 4.231 433 HA3 GLY 55 HA3 GLY 55 0.279 18.524 5.307 434 H GLY 56 H GLY 56 -1.488 16.024 3.574 435 HA2 GLY 56 HA2 GLY 56 -3.512 15.576 5.551 436 HA3 GLY 56 HA3 GLY 56 -3.143 14.517 4.175 437 H CYS 57 H CYS 57 -3.903 13.478 6.480 438 HA CYS 57 HA CYS 57 -2.139 12.809 8.495 439 HB2 CYS 57 HB2 CYS 57 -3.737 10.670 8.437 440 HB3 CYS 57 HB3 CYS 57 -4.301 12.251 8.928 441 HA PRO 58 HA PRO 58 0.805 10.016 6.925 442 HB2 PRO 58 HB2 PRO 58 0.909 7.913 8.700 443 HB3 PRO 58 HB3 PRO 58 1.559 9.552 9.017 444 HG2 PRO 58 HG2 PRO 58 -1.146 8.438 9.836 445 HG3 PRO 58 HG3 PRO 58 0.043 9.325 10.846 446 HD2 PRO 58 HD2 PRO 58 -2.033 10.626 9.767 447 HD3 PRO 58 HD3 PRO 58 -0.415 11.379 9.756 448 H ILE 59 H ILE 59 -2.409 8.725 7.426 449 HA ILE 59 HA ILE 59 -2.114 6.181 6.199 450 HB ILE 59 HB ILE 59 -4.593 7.945 6.221 451 HG12 ILE 59 HG12 ILE 59 -3.668 5.884 8.267 452 HG13 ILE 59 HG13 ILE 59 -3.752 7.630 8.512 453 HG21 ILE 59 HG21 ILE 59 -4.643 5.957 4.613 454 HG22 ILE 59 HG22 ILE 59 -4.351 4.902 6.002 455 HG23 ILE 59 HG23 ILE 59 -5.843 5.851 5.887 456 HD11 ILE 59 HD11 ILE 59 -6.234 7.531 8.124 457 HD12 ILE 59 HD12 ILE 59 -6.105 5.757 8.112 458 HD13 ILE 59 HD13 ILE 59 -5.684 6.664 9.557 459 H CYS 60 H CYS 60 -2.910 9.429 4.791 460 HA CYS 60 HA CYS 60 -3.298 8.519 2.155 461 HB2 CYS 60 HB2 CYS 60 -2.022 11.201 2.681 462 HB3 CYS 60 HB3 CYS 60 -3.175 10.743 1.463 463 H LYS 61 H LYS 61 -0.244 9.857 3.588 464 HA LYS 61 HA LYS 61 1.232 9.428 1.166 465 HB2 LYS 61 HB2 LYS 61 3.273 9.779 2.436 466 HB3 LYS 61 HB3 LYS 61 2.062 11.028 2.680 467 HG2 LYS 61 HG2 LYS 61 1.573 10.268 4.904 468 HG3 LYS 61 HG3 LYS 61 2.626 8.846 4.717 469 HD2 LYS 61 HD2 LYS 61 4.596 10.270 4.477 470 HD3 LYS 61 HD3 LYS 61 3.602 11.738 4.531 471 HE2 LYS 61 HE2 LYS 61 2.977 11.293 6.854 472 HE3 LYS 61 HE3 LYS 61 3.783 9.712 6.797 473 HZ1 LYS 61 HZ1 LYS 61 5.885 10.849 6.493 474 HZ2 LYS 61 HZ2 LYS 61 5.157 11.222 7.899 475 HZ3 LYS 61 HZ3 LYS 61 5.162 12.335 6.679 476 H GLN 62 H GLN 62 0.956 7.297 4.050 477 HA GLN 62 HA GLN 62 2.783 5.395 2.938 478 HB2 GLN 62 HB2 GLN 62 2.188 3.921 4.647 479 HB3 GLN 62 HB3 GLN 62 2.136 5.541 5.340 480 HG2 GLN 62 HG2 GLN 62 -0.376 5.488 4.942 481 HG3 GLN 62 HG3 GLN 62 -0.202 3.791 4.483 482 HE21 GLN 62 HE21 GLN 62 0.663 6.056 7.170 483 HE22 GLN 62 HE22 GLN 62 0.345 4.856 8.436 484 H LEU 63 H LEU 63 -0.666 5.902 2.243 485 HA LEU 63 HA LEU 63 -1.179 3.329 1.186 486 HB2 LEU 63 HB2 LEU 63 -2.988 4.916 1.579 487 HB3 LEU 63 HB3 LEU 63 -2.331 6.032 0.381 488 HG LEU 63 HG LEU 63 -2.836 4.500 -1.436 489 HD11 LEU 63 HD11 LEU 63 -3.658 2.576 0.775 490 HD12 LEU 63 HD12 LEU 63 -2.435 2.304 -0.468 491 HD13 LEU 63 HD13 LEU 63 -4.121 2.376 -0.943 492 HD21 LEU 63 HD21 LEU 63 -5.272 4.410 0.364 493 HD22 LEU 63 HD22 LEU 63 -5.194 4.641 -1.399 494 HD23 LEU 63 HD23 LEU 63 -4.688 5.938 -0.309 495 H ILE 64 H ILE 64 0.178 6.241 -0.429 496 HA ILE 64 HA ILE 64 0.398 5.112 -3.010 497 HB ILE 64 HB ILE 64 1.793 7.377 -1.580 498 HG12 ILE 64 HG12 ILE 64 0.699 8.423 -3.871 499 HG13 ILE 64 HG13 ILE 64 -0.397 7.079 -3.611 500 HG21 ILE 64 HG21 ILE 64 2.885 8.053 -3.692 501 HG22 ILE 64 HG22 ILE 64 3.553 6.558 -3.062 502 HG23 ILE 64 HG23 ILE 64 2.404 6.505 -4.428 503 HD11 ILE 64 HD11 ILE 64 -1.131 9.193 -2.531 504 HD12 ILE 64 HD12 ILE 64 -0.798 7.918 -1.328 505 HD13 ILE 64 HD13 ILE 64 0.369 9.233 -1.583 506 H ALA 65 H ALA 65 2.477 4.675 -0.156 507 HA ALA 65 HA ALA 65 4.772 3.710 -1.488 508 HB1 ALA 65 HB1 ALA 65 4.634 4.360 0.930 509 HB2 ALA 65 HB2 ALA 65 3.794 2.822 1.247 510 HB3 ALA 65 HB3 ALA 65 5.442 2.823 0.608 511 H LEU 66 H LEU 66 1.959 1.867 -0.161 512 HA LEU 66 HA LEU 66 3.029 -0.631 -1.270 513 HB2 LEU 66 HB2 LEU 66 0.389 0.028 0.074 514 HB3 LEU 66 HB3 LEU 66 0.683 -1.519 -0.713 515 HG LEU 66 HG LEU 66 2.208 -0.404 1.632 516 HD11 LEU 66 HD11 LEU 66 0.422 -2.855 1.325 517 HD12 LEU 66 HD12 LEU 66 -0.048 -1.332 2.098 518 HD13 LEU 66 HD13 LEU 66 1.230 -2.328 2.823 519 HD21 LEU 66 HD21 LEU 66 2.775 -2.872 -0.033 520 HD22 LEU 66 HD22 LEU 66 3.277 -2.765 1.658 521 HD23 LEU 66 HD23 LEU 66 3.898 -1.605 0.477 522 H ALA 67 H ALA 67 0.421 1.678 -2.124 523 HA ALA 67 HA ALA 67 -0.810 0.232 -4.182 524 HB1 ALA 67 HB1 ALA 67 -1.490 2.586 -4.951 525 HB2 ALA 67 HB2 ALA 67 -1.780 2.233 -3.246 526 HB3 ALA 67 HB3 ALA 67 -0.386 3.212 -3.728 527 H ALA 68 H ALA 68 2.270 2.064 -4.363 528 HA ALA 68 HA ALA 68 2.396 1.985 -7.222 529 HB1 ALA 68 HB1 ALA 68 4.667 2.110 -5.210 530 HB2 ALA 68 HB2 ALA 68 4.732 2.569 -6.932 531 HB3 ALA 68 HB3 ALA 68 3.723 3.501 -5.821 532 H TYR 69 H TYR 69 2.988 -0.550 -4.844 533 HA TYR 69 HA TYR 69 4.681 -2.107 -6.644 534 HB2 TYR 69 HB2 TYR 69 3.311 -2.712 -4.022 535 HB3 TYR 69 HB3 TYR 69 3.990 -3.971 -5.049 536 HD1 TYR 69 HD1 TYR 69 5.687 -0.615 -4.744 537 HD2 TYR 69 HD2 TYR 69 5.523 -4.723 -3.419 538 HE1 TYR 69 HE1 TYR 69 7.964 -0.403 -3.880 539 HE2 TYR 69 HE2 TYR 69 7.861 -4.515 -2.563 540 HH TYR 69 HH TYR 69 9.800 -1.511 -2.906 541 H HIS 70 H HIS 70 1.160 -2.041 -5.764 542 HA HIS 70 HA HIS 70 0.522 -4.173 -7.590 543 HB2 HIS 70 HB2 HIS 70 -1.186 -3.739 -6.033 544 HB3 HIS 70 HB3 HIS 70 -1.031 -2.006 -6.206 545 HD1 HIS 70 HD1 HIS 70 -2.738 -4.930 -8.206 546 HD2 HIS 70 HD2 HIS 70 -2.253 -0.799 -8.005 547 HE1 HIS 70 HE1 HIS 70 -4.423 -3.913 -9.846 548 H ALA 71 H ALA 71 0.829 -0.590 -8.006 549 HA ALA 71 HA ALA 71 -0.227 -0.358 -10.538 550 HB1 ALA 71 HB1 ALA 71 2.247 1.112 -9.545 551 HB2 ALA 71 HB2 ALA 71 1.115 1.642 -10.804 552 HB3 ALA 71 HB3 ALA 71 0.562 1.530 -9.124 553 H LYS 72 H LYS 72 3.033 -1.641 -9.842 554 HA LYS 72 HA LYS 72 3.648 -1.720 -12.724 555 HB2 LYS 72 HB2 LYS 72 5.755 -2.825 -12.016 556 HB3 LYS 72 HB3 LYS 72 5.495 -1.194 -11.423 557 HG2 LYS 72 HG2 LYS 72 4.987 -1.952 -9.205 558 HG3 LYS 72 HG3 LYS 72 4.938 -3.653 -9.724 559 HD2 LYS 72 HD2 LYS 72 7.258 -3.703 -10.163 560 HD3 LYS 72 HD3 LYS 72 7.435 -1.943 -10.037 561 HE2 LYS 72 HE2 LYS 72 6.596 -3.698 -7.703 562 HE3 LYS 72 HE3 LYS 72 8.286 -3.339 -8.087 563 HZ1 LYS 72 HZ1 LYS 72 7.765 -0.961 -7.846 564 HZ2 LYS 72 HZ2 LYS 72 7.568 -1.815 -6.485 565 HZ3 LYS 72 HZ3 LYS 72 6.262 -1.291 -7.385 566 H HIS 73 H HIS 73 1.794 -3.732 -10.744 567 HA HIS 73 HA HIS 73 2.344 -6.115 -12.456 568 HB2 HIS 73 HB2 HIS 73 1.213 -5.971 -9.648 569 HB3 HIS 73 HB3 HIS 73 1.509 -7.435 -10.581 570 HD1 HIS 73 HD1 HIS 73 2.931 -6.712 -7.731 571 HD2 HIS 73 HD2 HIS 73 4.566 -6.309 -11.601 572 HE1 HIS 73 HE1 HIS 73 5.469 -6.772 -7.469 573 H CYS 74 H CYS 74 0.094 -3.675 -11.713 574 HA CYS 74 HA CYS 74 -2.415 -4.893 -12.135 575 HB2 CYS 74 HB2 CYS 74 -1.802 -2.609 -11.144 576 HB3 CYS 74 HB3 CYS 74 -1.576 -2.032 -12.811 577 H GLN 75 H GLN 75 -2.867 -6.024 -13.958 578 HA GLN 75 HA GLN 75 -1.371 -5.666 -16.415 579 HB2 GLN 75 HB2 GLN 75 -3.913 -7.284 -15.944 580 HB3 GLN 75 HB3 GLN 75 -2.788 -7.425 -17.307 581 HG2 GLN 75 HG2 GLN 75 -0.971 -8.039 -15.672 582 HG3 GLN 75 HG3 GLN 75 -2.189 -8.020 -14.384 583 HE21 GLN 75 HE21 GLN 75 -1.348 -10.277 -14.114 584 HE22 GLN 75 HE22 GLN 75 -2.074 -11.553 -15.067 585 H GLU 76 H GLU 76 -4.507 -4.531 -15.239 586 HA GLU 76 HA GLU 76 -5.520 -3.785 -17.850 587 HB2 GLU 76 HB2 GLU 76 -6.383 -3.047 -15.018 588 HB3 GLU 76 HB3 GLU 76 -7.217 -2.586 -16.496 589 HG2 GLU 76 HG2 GLU 76 -8.364 -4.510 -15.732 590 HG3 GLU 76 HG3 GLU 76 -7.411 -5.024 -17.116 591 H ASN 77 H ASN 77 -5.296 -1.874 -18.934 592 HA ASN 77 HA ASN 77 -3.278 0.017 -18.104 593 HB2 ASN 77 HB2 ASN 77 -3.738 1.173 -20.126 594 HB3 ASN 77 HB3 ASN 77 -3.981 -0.525 -20.520 595 HD21 ASN 77 HD21 ASN 77 -5.661 2.655 -20.123 596 HD22 ASN 77 HD22 ASN 77 -7.163 2.054 -20.785 597 H LYS 78 H LYS 78 -6.382 -0.332 -16.983 598 HA LYS 78 HA LYS 78 -6.607 2.449 -16.037 599 HB2 LYS 78 HB2 LYS 78 -7.957 2.306 -18.106 600 HB3 LYS 78 HB3 LYS 78 -8.810 0.896 -17.466 601 HG2 LYS 78 HG2 LYS 78 -9.732 2.339 -15.616 602 HG3 LYS 78 HG3 LYS 78 -8.833 3.708 -16.288 603 HD2 LYS 78 HD2 LYS 78 -11.131 3.859 -17.023 604 HD3 LYS 78 HD3 LYS 78 -10.117 3.470 -18.424 605 HE2 LYS 78 HE2 LYS 78 -10.733 1.064 -18.185 606 HE3 LYS 78 HE3 LYS 78 -11.772 1.474 -16.814 607 HZ1 LYS 78 HZ1 LYS 78 -13.107 2.822 -18.341 608 HZ2 LYS 78 HZ2 LYS 78 -12.979 1.260 -18.858 609 HZ3 LYS 78 HZ3 LYS 78 -12.115 2.413 -19.597 610 H CYS 79 H CYS 79 -5.848 1.550 -14.074 611 HA CYS 79 HA CYS 79 -6.608 -0.739 -12.818 612 HB2 CYS 79 HB2 CYS 79 -6.035 1.947 -11.497 613 HB3 CYS 79 HB3 CYS 79 -5.718 0.346 -10.817 614 HA PRO 80 HA PRO 80 -10.658 0.279 -11.107 615 HB2 PRO 80 HB2 PRO 80 -11.023 -1.765 -9.375 616 HB3 PRO 80 HB3 PRO 80 -10.855 -2.062 -11.130 617 HG2 PRO 80 HG2 PRO 80 -8.714 -2.295 -8.992 618 HG3 PRO 80 HG3 PRO 80 -9.121 -3.461 -10.288 619 HD2 PRO 80 HD2 PRO 80 -7.085 -1.605 -10.508 620 HD3 PRO 80 HD3 PRO 80 -8.008 -2.209 -11.908 621 H VAL 81 H VAL 81 -7.795 1.005 -9.645 622 HA VAL 81 HA VAL 81 -9.006 1.950 -7.113 623 HB VAL 81 HB VAL 81 -6.177 0.934 -7.590 624 HG11 VAL 81 HG11 VAL 81 -5.890 1.251 -5.134 625 HG12 VAL 81 HG12 VAL 81 -6.120 2.768 -5.988 626 HG13 VAL 81 HG13 VAL 81 -7.468 2.056 -5.064 627 HG21 VAL 81 HG21 VAL 81 -6.906 -0.780 -5.828 628 HG22 VAL 81 HG22 VAL 81 -8.572 -0.255 -6.142 629 HG23 VAL 81 HG23 VAL 81 -7.593 -0.971 -7.435 630 HA PRO 82 HA PRO 82 -7.889 5.811 -9.084 631 HB2 PRO 82 HB2 PRO 82 -8.160 7.530 -6.899 632 HB3 PRO 82 HB3 PRO 82 -9.509 6.925 -7.918 633 HG2 PRO 82 HG2 PRO 82 -8.537 5.936 -5.248 634 HG3 PRO 82 HG3 PRO 82 -10.226 6.121 -5.820 635 HD2 PRO 82 HD2 PRO 82 -8.895 3.730 -5.743 636 HD3 PRO 82 HD3 PRO 82 -10.118 4.068 -6.989 637 H PHE 83 H PHE 83 -6.356 5.008 -5.924 638 HA PHE 83 HA PHE 83 -4.254 6.936 -6.223 639 HB2 PHE 83 HB2 PHE 83 -4.748 4.591 -4.425 640 HB3 PHE 83 HB3 PHE 83 -3.104 5.177 -4.588 641 HD1 PHE 83 HD1 PHE 83 -6.467 6.998 -4.367 642 HD2 PHE 83 HD2 PHE 83 -2.472 6.463 -2.774 643 HE1 PHE 83 HE1 PHE 83 -6.880 8.746 -2.681 644 HE2 PHE 83 HE2 PHE 83 -2.917 8.229 -1.097 645 HZ PHE 83 HZ PHE 83 -5.142 9.360 -1.038 646 H CYS 84 H CYS 84 -4.670 3.681 -7.518 647 HA CYS 84 HA CYS 84 -1.968 3.114 -8.143 648 HB2 CYS 84 HB2 CYS 84 -4.100 1.547 -8.138 649 HB3 CYS 84 HB3 CYS 84 -4.433 2.224 -9.731 650 H LEU 85 H LEU 85 -4.603 4.221 -10.301 651 HA LEU 85 HA LEU 85 -2.830 4.818 -12.412 652 HB2 LEU 85 HB2 LEU 85 -4.642 5.870 -13.558 653 HB3 LEU 85 HB3 LEU 85 -5.205 4.444 -12.718 654 HG LEU 85 HG LEU 85 -5.919 6.180 -10.835 655 HD11 LEU 85 HD11 LEU 85 -6.672 8.350 -11.778 656 HD12 LEU 85 HD12 LEU 85 -5.900 7.950 -13.326 657 HD13 LEU 85 HD13 LEU 85 -4.922 8.242 -11.891 658 HD21 LEU 85 HD21 LEU 85 -7.425 4.728 -12.070 659 HD22 LEU 85 HD22 LEU 85 -7.355 5.823 -13.465 660 HD23 LEU 85 HD23 LEU 85 -8.124 6.346 -11.937 661 H ASN 86 H ASN 86 -3.715 6.692 -9.597 662 HA ASN 86 HA ASN 86 -2.730 9.224 -10.514 663 HB2 ASN 86 HB2 ASN 86 -3.444 8.122 -7.830 664 HB3 ASN 86 HB3 ASN 86 -2.337 9.479 -7.886 665 HD21 ASN 86 HD21 ASN 86 -5.586 8.471 -8.869 666 HD22 ASN 86 HD22 ASN 86 -6.242 10.081 -9.035 667 H ILE 87 H ILE 87 -1.113 6.442 -8.837 668 HA ILE 87 HA ILE 87 1.413 7.710 -8.436 669 HB ILE 87 HB ILE 87 0.340 4.900 -8.636 670 HG12 ILE 87 HG12 ILE 87 2.258 5.846 -6.554 671 HG13 ILE 87 HG13 ILE 87 0.643 6.563 -6.545 672 HG21 ILE 87 HG21 ILE 87 2.327 4.507 -9.940 673 HG22 ILE 87 HG22 ILE 87 3.313 5.478 -8.817 674 HG23 ILE 87 HG23 ILE 87 2.628 3.924 -8.309 675 HD11 ILE 87 HD11 ILE 87 0.972 3.573 -6.655 676 HD12 ILE 87 HD12 ILE 87 0.977 4.474 -5.123 677 HD13 ILE 87 HD13 ILE 87 -0.442 4.509 -6.181 678 H LYS 88 H LYS 88 0.156 5.646 -11.102 679 HA LYS 88 HA LYS 88 2.299 5.721 -12.777 680 HB2 LYS 88 HB2 LYS 88 -0.133 4.602 -12.859 681 HB3 LYS 88 HB3 LYS 88 -0.505 6.016 -13.834 682 HG2 LYS 88 HG2 LYS 88 0.030 4.310 -15.341 683 HG3 LYS 88 HG3 LYS 88 1.456 5.366 -15.334 684 HD2 LYS 88 HD2 LYS 88 2.513 3.754 -13.674 685 HD3 LYS 88 HD3 LYS 88 1.085 2.721 -13.840 686 HE2 LYS 88 HE2 LYS 88 1.434 2.611 -16.318 687 HE3 LYS 88 HE3 LYS 88 2.879 3.615 -16.159 688 HZ1 LYS 88 HZ1 LYS 88 3.806 1.808 -14.749 689 HZ2 LYS 88 HZ2 LYS 88 3.500 1.328 -16.309 690 HZ3 LYS 88 HZ3 LYS 88 2.503 0.869 -15.126 691 H GLN 89 H GLN 89 -0.136 8.331 -12.505 692 HA GLN 89 HA GLN 89 1.175 9.814 -14.668 693 HB2 GLN 89 HB2 GLN 89 -0.566 11.479 -14.383 694 HB3 GLN 89 HB3 GLN 89 -1.199 9.853 -14.659 695 HG2 GLN 89 HG2 GLN 89 -1.650 9.571 -12.332 696 HG3 GLN 89 HG3 GLN 89 -0.883 11.095 -11.933 697 HE21 GLN 89 HE21 GLN 89 -3.010 11.519 -10.776 698 HE22 GLN 89 HE22 GLN 89 -4.260 12.220 -11.752 699 H LYS 90 H LYS 90 1.636 9.682 -11.235 700 HA LYS 90 HA LYS 90 2.871 12.420 -11.284 701 HB2 LYS 90 HB2 LYS 90 1.828 10.777 -8.951 702 HB3 LYS 90 HB3 LYS 90 2.687 12.311 -8.801 703 HG2 LYS 90 HG2 LYS 90 0.858 13.453 -10.035 704 HG3 LYS 90 HG3 LYS 90 -0.031 11.930 -10.119 705 HD2 LYS 90 HD2 LYS 90 0.804 13.360 -7.563 706 HD3 LYS 90 HD3 LYS 90 -0.814 13.353 -8.280 707 HE2 LYS 90 HE2 LYS 90 -0.851 10.852 -8.075 708 HE3 LYS 90 HE3 LYS 90 0.705 10.928 -7.239 709 HZ1 LYS 90 HZ1 LYS 90 -0.334 12.258 -5.517 710 HZ2 LYS 90 HZ2 LYS 90 -1.125 10.815 -5.678 711 HZ3 LYS 90 HZ3 LYS 90 -1.771 12.206 -6.285 712 H GLY 91 H GLY 91 3.239 9.284 -9.664 713 HA2 GLY 91 HA2 GLY 91 5.348 8.089 -9.778 714 HA3 GLY 91 HA3 GLY 91 6.167 9.640 -9.408 715 H GLY 92 H GLY 92 6.457 10.128 -7.251 716 HA2 GLY 92 HA2 GLY 92 4.628 9.944 -5.191 717 HA3 GLY 92 HA3 GLY 92 5.475 8.389 -5.166 718 H SER 93 H SER 93 8.039 9.444 -6.050 719 HA SER 93 HA SER 93 9.400 9.964 -3.742 720 HB2 SER 93 HB2 SER 93 10.239 9.113 -5.893 721 HB3 SER 93 HB3 SER 93 10.075 10.716 -6.595 722 HG SER 93 HG SER 93 11.917 11.205 -5.863 723 H GLY 94 H GLY 94 7.379 12.297 -5.152 724 HA2 GLY 94 HA2 GLY 94 6.993 14.500 -4.765 725 HA3 GLY 94 HA3 GLY 94 7.917 14.303 -3.269 726 H GLY 95 H GLY 95 9.769 13.634 -6.131 727 HA2 GLY 95 HA2 GLY 95 11.250 14.917 -7.345 728 HA3 GLY 95 HA3 GLY 95 10.599 16.372 -6.589 729 H GLY 96 H GLY 96 11.489 14.198 -4.035 730 HA2 GLY 96 HA2 GLY 96 14.328 14.640 -4.091 731 HA3 GLY 96 HA3 GLY 96 13.556 15.955 -3.218 732 H THR 97 H THR 97 12.321 12.579 -3.008 733 HA THR 97 HA THR 97 12.293 12.565 -0.262 734 HB THR 97 HB THR 97 11.128 11.084 -1.958 735 HG1 THR 97 HG1 THR 97 12.092 10.177 0.507 736 HG21 THR 97 HG21 THR 97 13.489 9.215 -1.544 737 HG22 THR 97 HG22 THR 97 13.171 10.124 -3.039 738 HG23 THR 97 HG23 THR 97 12.009 8.915 -2.468 739 H GLY 98 H GLY 98 15.217 12.188 -2.141 740 HA2 GLY 98 HA2 GLY 98 17.366 12.087 -1.422 741 HA3 GLY 98 HA3 GLY 98 16.810 11.936 0.240 742 H GLY 99 H GLY 99 15.375 9.586 0.224 743 HA2 GLY 99 HA2 GLY 99 15.489 7.263 -0.587 744 HA3 GLY 99 HA3 GLY 99 17.238 7.443 -0.757 745 H GLY 100 H GLY 100 17.135 9.119 1.919 746 HA2 GLY 100 HA2 GLY 100 17.317 8.766 4.129 747 HA3 GLY 100 HA3 GLY 100 16.249 7.372 3.954 748 H SER 101 H SER 101 18.947 6.777 1.980 749 HA SER 101 HA SER 101 19.910 4.608 3.259 750 HB2 SER 101 HB2 SER 101 21.516 6.554 1.579 751 HB3 SER 101 HB3 SER 101 21.942 4.871 1.934 752 HG SER 101 HG SER 101 20.967 4.716 0.091 753 H GLY 102 H GLY 102 21.025 4.137 5.032 754 HA2 GLY 102 HA2 GLY 102 23.302 4.850 6.121 755 HA3 GLY 102 HA3 GLY 102 22.358 6.261 6.621 756 H THR 103 H THR 103 19.977 4.145 6.690 757 HA THR 103 HA THR 103 19.692 3.863 9.397 758 HB THR 103 HB THR 103 18.560 2.040 7.234 759 HG1 THR 103 HG1 THR 103 17.606 4.638 7.829 760 HG21 THR 103 HG21 THR 103 17.603 1.507 9.353 761 HG22 THR 103 HG22 THR 103 16.394 2.387 8.429 762 HG23 THR 103 HG23 THR 103 17.279 3.230 9.722 763 H ILE 104 H ILE 104 19.575 1.928 10.760 764 HA ILE 104 HA ILE 104 21.902 0.182 10.473 765 HB ILE 104 HB ILE 104 19.680 0.446 12.550 766 HG12 ILE 104 HG12 ILE 104 22.654 0.998 12.856 767 HG13 ILE 104 HG13 ILE 104 21.517 2.239 12.336 768 HG21 ILE 104 HG21 ILE 104 20.938 -1.120 13.977 769 HG22 ILE 104 HG22 ILE 104 20.380 -1.897 12.513 770 HG23 ILE 104 HG23 ILE 104 22.092 -1.408 12.658 771 HD11 ILE 104 HD11 ILE 104 20.219 1.939 14.441 772 HD12 ILE 104 HD12 ILE 104 21.458 0.786 14.997 773 HD13 ILE 104 HD13 ILE 104 21.890 2.476 14.704 774 H GLU 105 H GLU 105 18.343 -0.147 10.678 775 HA GLU 105 HA GLU 105 18.190 -2.886 9.900 776 HB2 GLU 105 HB2 GLU 105 16.195 -0.585 9.912 777 HB3 GLU 105 HB3 GLU 105 15.738 -2.264 9.594 778 HG2 GLU 105 HG2 GLU 105 16.196 -2.961 11.808 779 HG3 GLU 105 HG3 GLU 105 17.218 -1.582 12.156 780 H GLY 106 H GLY 106 17.401 -3.763 7.933 781 HA2 GLY 106 HA2 GLY 106 17.122 -4.121 5.742 782 HA3 GLY 106 HA3 GLY 106 16.972 -2.392 5.481 783 H ARG 107 H ARG 107 19.602 -1.759 6.526 784 HA ARG 107 HA ARG 107 21.598 -1.226 5.707 785 HB2 ARG 107 HB2 ARG 107 21.759 -3.664 6.683 786 HB3 ARG 107 HB3 ARG 107 22.032 -4.146 5.020 787 HG2 ARG 107 HG2 ARG 107 24.148 -3.872 6.194 788 HG3 ARG 107 HG3 ARG 107 24.028 -2.657 4.926 789 HD2 ARG 107 HD2 ARG 107 24.971 -1.714 6.963 790 HD3 ARG 107 HD3 ARG 107 23.469 -0.921 6.552 791 HE ARG 107 HE ARG 107 22.313 -2.136 8.308 792 HH11 ARG 107 HH11 ARG 107 25.824 -2.057 8.547 793 HH12 ARG 107 HH12 ARG 107 25.896 -2.426 10.224 794 HH21 ARG 107 HH21 ARG 107 22.324 -2.827 10.442 795 HH22 ARG 107 HH22 ARG 107 23.789 -2.840 11.370 796 H GLY 108 H GLY 108 19.476 -1.077 3.727 797 HA2 GLY 108 HA2 GLY 108 19.242 -0.400 1.576 798 HA3 GLY 108 HA3 GLY 108 20.998 -0.384 1.431 799 H ASP 109 H ASP 109 20.145 -3.566 2.276 800 HA ASP 109 HA ASP 109 20.160 -4.371 -0.589 801 HB2 ASP 109 HB2 ASP 109 21.337 -6.279 -0.124 802 HB3 ASP 109 HB3 ASP 109 22.158 -5.012 0.764 803 H GLY 110 H GLY 110 19.379 -7.046 -0.156 804 HA2 GLY 110 HA2 GLY 110 17.530 -8.375 -0.018 805 HA3 GLY 110 HA3 GLY 110 16.767 -7.165 1.008 806 H GLY 111 H GLY 111 16.529 -4.986 -0.622 807 HA2 GLY 111 HA2 GLY 111 15.958 -4.314 -2.939 808 HA3 GLY 111 HA3 GLY 111 15.022 -5.812 -3.081 809 H THR 112 H THR 112 14.418 -5.055 0.015 810 HA THR 112 HA THR 112 12.114 -3.308 -0.642 811 HB THR 112 HB THR 112 11.015 -4.487 1.222 812 HG1 THR 112 HG1 THR 112 12.104 -5.701 2.406 813 HG21 THR 112 HG21 THR 112 10.630 -5.127 -1.141 814 HG22 THR 112 HG22 THR 112 10.454 -6.488 -0.008 815 HG23 THR 112 HG23 THR 112 11.922 -6.347 -1.003 816 H THR 113 H THR 113 14.812 -2.260 0.268 817 HA THR 113 HA THR 113 14.716 -1.603 2.959 818 HB THR 113 HB THR 113 16.662 -1.156 1.513 819 HG1 THR 113 HG1 THR 113 16.323 -0.073 3.612 820 HG21 THR 113 HG21 THR 113 15.454 0.007 -0.370 821 HG22 THR 113 HG22 THR 113 16.836 0.930 0.253 822 HG23 THR 113 HG23 THR 113 15.187 1.394 0.719 823 H PHE 114 H PHE 114 12.621 -0.301 0.485 824 HA PHE 114 HA PHE 114 11.750 2.084 1.634 825 HB2 PHE 114 HB2 PHE 114 9.914 1.988 0.262 826 HB3 PHE 114 HB3 PHE 114 11.018 0.938 -0.598 827 HD1 PHE 114 HD1 PHE 114 7.749 1.305 0.859 828 HD2 PHE 114 HD2 PHE 114 10.727 -1.662 -0.068 829 HE1 PHE 114 HE1 PHE 114 6.014 -0.454 0.916 830 HE2 PHE 114 HE2 PHE 114 9.008 -3.436 0.079 831 HZ PHE 114 HZ PHE 114 6.636 -2.844 0.535 832 H GLU 115 H GLU 115 11.266 -1.203 2.805 833 HA GLU 115 HA GLU 115 8.956 -1.051 4.347 834 HB2 GLU 115 HB2 GLU 115 11.608 -2.466 4.708 835 HB3 GLU 115 HB3 GLU 115 10.292 -2.622 5.868 836 HG2 GLU 115 HG2 GLU 115 8.782 -3.515 4.184 837 HG3 GLU 115 HG3 GLU 115 10.013 -3.349 2.929 838 H HIS 116 H HIS 116 12.118 0.474 4.853 839 HA HIS 116 HA HIS 116 11.983 0.912 7.620 840 HB2 HIS 116 HB2 HIS 116 13.842 2.143 7.385 841 HB3 HIS 116 HB3 HIS 116 13.900 1.347 5.828 842 HD1 HIS 116 HD1 HIS 116 13.813 4.726 7.393 843 HD2 HIS 116 HD2 HIS 116 13.137 2.947 3.619 844 HE1 HIS 116 HE1 HIS 116 13.942 6.590 5.674 845 H LEU 117 H LEU 117 10.121 2.526 5.045 846 HA LEU 117 HA LEU 117 9.446 4.859 6.570 847 HB2 LEU 117 HB2 LEU 117 8.015 3.502 4.269 848 HB3 LEU 117 HB3 LEU 117 7.300 4.816 5.178 849 HG LEU 117 HG LEU 117 9.467 6.152 4.658 850 HD11 LEU 117 HD11 LEU 117 10.579 5.502 2.541 851 HD12 LEU 117 HD12 LEU 117 9.626 4.005 2.492 852 HD13 LEU 117 HD13 LEU 117 10.819 4.268 3.780 853 HD21 LEU 117 HD21 LEU 117 7.325 6.717 3.666 854 HD22 LEU 117 HD22 LEU 117 7.468 5.384 2.493 855 HD23 LEU 117 HD23 LEU 117 8.564 6.785 2.413 856 H TRP 118 H TRP 118 8.255 1.488 6.740 857 HA TRP 118 HA TRP 118 5.900 2.028 8.200 858 HB2 TRP 118 HB2 TRP 118 7.700 -0.401 8.422 859 HB3 TRP 118 HB3 TRP 118 6.040 -0.278 8.980 860 HD1 TRP 118 HD1 TRP 118 7.691 -1.938 6.434 861 HE1 TRP 118 HE1 TRP 118 6.180 -2.423 4.400 862 HE3 TRP 118 HE3 TRP 118 4.005 1.507 7.290 863 HZ2 TRP 118 HZ2 TRP 118 3.968 -1.087 3.052 864 HZ3 TRP 118 HZ3 TRP 118 2.213 1.873 5.638 865 HH2 TRP 118 HH2 TRP 118 2.248 0.678 3.468 866 H SER 119 H SER 119 9.316 1.934 9.228 867 HA SER 119 HA SER 119 8.827 1.772 11.981 868 HB2 SER 119 HB2 SER 119 11.140 3.079 10.494 869 HB3 SER 119 HB3 SER 119 11.158 2.494 12.167 870 HG SER 119 HG SER 119 10.891 0.451 11.499 871 H SER 120 H SER 120 7.998 4.383 9.881 872 HA SER 120 HA SER 120 8.320 6.468 11.963 873 HB2 SER 120 HB2 SER 120 7.197 6.536 9.121 874 HB3 SER 120 HB3 SER 120 7.227 7.918 10.223 875 HG SER 120 HG SER 120 9.490 7.690 10.380 876 H LEU 121 H LEU 121 5.955 4.094 10.881 877 HA LEU 121 HA LEU 121 3.624 5.584 11.817 878 HB2 LEU 121 HB2 LEU 121 4.123 2.645 11.152 879 HB3 LEU 121 HB3 LEU 121 2.626 3.207 11.849 880 HG LEU 121 HG LEU 121 2.094 4.565 9.930 881 HD11 LEU 121 HD11 LEU 121 4.221 5.296 9.077 882 HD12 LEU 121 HD12 LEU 121 3.406 4.376 7.809 883 HD13 LEU 121 HD13 LEU 121 4.726 3.641 8.749 884 HD21 LEU 121 HD21 LEU 121 1.353 2.257 9.961 885 HD22 LEU 121 HD22 LEU 121 2.907 1.687 9.336 886 HD23 LEU 121 HD23 LEU 121 1.830 2.645 8.307 887 H GLU 122 H GLU 122 2.450 4.966 13.769 888 HA GLU 122 HA GLU 122 4.245 4.541 16.012 889 HB2 GLU 122 HB2 GLU 122 1.238 4.775 15.724 890 HB3 GLU 122 HB3 GLU 122 2.024 4.547 17.291 891 HG2 GLU 122 HG2 GLU 122 3.126 6.669 17.184 892 HG3 GLU 122 HG3 GLU 122 2.736 6.881 15.474 893 HA PRO 123 HA PRO 123 3.809 0.129 16.069 894 HB2 PRO 123 HB2 PRO 123 4.220 -0.473 18.725 895 HB3 PRO 123 HB3 PRO 123 5.482 0.180 17.637 896 HG2 PRO 123 HG2 PRO 123 3.709 1.714 19.555 897 HG3 PRO 123 HG3 PRO 123 5.498 1.782 19.418 898 HD2 PRO 123 HD2 PRO 123 3.885 3.595 18.210 899 HD3 PRO 123 HD3 PRO 123 5.354 2.994 17.394 900 H ASP 124 H ASP 124 1.209 1.915 16.820 901 HA ASP 124 HA ASP 124 -0.447 0.279 18.509 902 HB2 ASP 124 HB2 ASP 124 -1.173 2.197 16.227 903 HB3 ASP 124 HB3 ASP 124 -2.330 1.512 17.356 904 H SER 125 H SER 125 0.173 0.313 15.027 905 HA SER 125 HA SER 125 -0.614 -0.873 13.246 906 HB2 SER 125 HB2 SER 125 -0.869 -3.259 15.061 907 HB3 SER 125 HB3 SER 125 -0.240 -3.163 13.409 908 HG SER 125 HG SER 125 1.462 -1.750 14.442 909 H THR 126 H THR 126 -2.796 0.288 15.141 910 HA THR 126 HA THR 126 -4.974 -1.474 14.985 911 HB THR 126 HB THR 126 -4.884 0.290 16.630 912 HG1 THR 126 HG1 THR 126 -6.971 0.061 16.513 913 HG21 THR 126 HG21 THR 126 -5.273 2.633 16.107 914 HG22 THR 126 HG22 THR 126 -5.351 2.293 14.380 915 HG23 THR 126 HG23 THR 126 -3.811 2.107 15.270 916 H TYR 127 H TYR 127 -3.862 0.864 12.540 917 HA TYR 127 HA TYR 127 -6.236 0.166 10.897 918 HB2 TYR 127 HB2 TYR 127 -5.852 2.262 9.795 919 HB3 TYR 127 HB3 TYR 127 -5.958 2.486 11.530 920 HD1 TYR 127 HD1 TYR 127 -3.800 2.679 8.574 921 HD2 TYR 127 HD2 TYR 127 -3.921 3.156 12.859 922 HE1 TYR 127 HE1 TYR 127 -1.721 3.921 8.482 923 HE2 TYR 127 HE2 TYR 127 -1.766 4.326 12.804 924 HH TYR 127 HH TYR 127 -0.035 5.013 11.480 925 H PHE 128 H PHE 128 -2.897 -0.625 10.930 926 HA PHE 128 HA PHE 128 -2.994 -1.662 8.175 927 HB2 PHE 128 HB2 PHE 128 -1.320 0.514 9.178 928 HB3 PHE 128 HB3 PHE 128 -0.312 -0.862 8.815 929 HD1 PHE 128 HD1 PHE 128 0.595 -0.883 6.649 930 HD2 PHE 128 HD2 PHE 128 -3.246 0.880 7.329 931 HE1 PHE 128 HE1 PHE 128 0.424 -0.355 4.233 932 HE2 PHE 128 HE2 PHE 128 -3.394 1.500 4.863 933 HZ PHE 128 HZ PHE 128 -1.548 0.849 3.345 934 H ASP 129 H ASP 129 -0.766 -3.158 8.068 935 HA ASP 129 HA ASP 129 -0.959 -5.023 10.418 936 HB2 ASP 129 HB2 ASP 129 -0.361 -5.402 7.479 937 HB3 ASP 129 HB3 ASP 129 0.578 -6.335 8.632 938 H LEU 130 H LEU 130 0.911 -5.212 11.690 939 HA LEU 130 HA LEU 130 2.884 -3.132 11.433 940 HB2 LEU 130 HB2 LEU 130 3.970 -3.969 13.323 941 HB3 LEU 130 HB3 LEU 130 2.246 -4.096 13.568 942 HG LEU 130 HG LEU 130 2.614 -6.611 12.773 943 HD11 LEU 130 HD11 LEU 130 4.772 -7.517 13.566 944 HD12 LEU 130 HD12 LEU 130 5.305 -5.910 14.043 945 HD13 LEU 130 HD13 LEU 130 5.119 -6.283 12.338 946 HD21 LEU 130 HD21 LEU 130 2.850 -7.208 15.154 947 HD22 LEU 130 HD22 LEU 130 1.697 -5.886 14.923 948 HD23 LEU 130 HD23 LEU 130 3.331 -5.532 15.519 Start of MODEL 12 1 H1 ALA 1 H ALA 1 14.694 -17.480 -11.683 2 HA ALA 1 HA ALA 1 12.995 -15.180 -10.985 3 HB1 ALA 1 HB1 ALA 1 12.230 -15.041 -13.236 4 HB2 ALA 1 HB2 ALA 1 13.998 -15.025 -13.269 5 HB3 ALA 1 HB3 ALA 1 13.109 -16.498 -13.723 6 H THR 2 H THR 2 12.632 -18.539 -12.482 7 HA THR 2 HA THR 2 9.917 -18.802 -11.809 8 HB THR 2 HB THR 2 10.799 -21.351 -12.242 9 HG1 THR 2 HG1 THR 2 12.655 -21.422 -13.239 10 HG21 THR 2 HG21 THR 2 9.210 -20.169 -13.656 11 HG22 THR 2 HG22 THR 2 10.496 -20.863 -14.664 12 HG23 THR 2 HG23 THR 2 10.502 -19.124 -14.297 13 H GLN 3 H GLN 3 12.250 -18.543 -9.528 14 HA GLN 3 HA GLN 3 10.708 -19.990 -7.543 15 HB2 GLN 3 HB2 GLN 3 12.663 -21.459 -8.522 16 HB3 GLN 3 HB3 GLN 3 13.736 -20.357 -7.656 17 HG2 GLN 3 HG2 GLN 3 12.669 -20.926 -5.532 18 HG3 GLN 3 HG3 GLN 3 11.403 -21.856 -6.371 19 HE21 GLN 3 HE21 GLN 3 12.020 -23.769 -7.555 20 HE22 GLN 3 HE22 GLN 3 13.491 -24.653 -7.174 21 H SER 4 H SER 4 10.915 -18.794 -5.478 22 HA SER 4 HA SER 4 12.046 -16.110 -5.876 23 HB2 SER 4 HB2 SER 4 11.037 -15.935 -3.445 24 HB3 SER 4 HB3 SER 4 10.049 -15.834 -4.910 25 HG SER 4 HG SER 4 8.960 -17.270 -3.779 26 HA PRO 5 HA PRO 5 15.823 -16.928 -3.835 27 HB2 PRO 5 HB2 PRO 5 16.488 -14.566 -2.669 28 HB3 PRO 5 HB3 PRO 5 16.349 -14.740 -4.443 29 HG2 PRO 5 HG2 PRO 5 14.214 -13.740 -2.518 30 HG3 PRO 5 HG3 PRO 5 14.832 -12.924 -3.997 31 HD2 PRO 5 HD2 PRO 5 12.592 -14.450 -4.043 32 HD3 PRO 5 HD3 PRO 5 13.748 -14.493 -5.408 33 H GLY 6 H GLY 6 13.003 -16.294 -1.900 34 HA2 GLY 6 HA2 GLY 6 12.516 -17.383 0.119 35 HA3 GLY 6 HA3 GLY 6 14.224 -17.686 0.399 36 H ASP 7 H ASP 7 11.632 -15.303 0.549 37 HA ASP 7 HA ASP 7 12.929 -13.816 2.655 38 HB2 ASP 7 HB2 ASP 7 13.940 -12.578 0.851 39 HB3 ASP 7 HB3 ASP 7 12.381 -12.395 0.013 40 H SER 8 H SER 8 11.305 -13.417 4.045 41 HA SER 8 HA SER 8 8.562 -14.013 3.354 42 HB2 SER 8 HB2 SER 8 9.660 -14.649 5.506 43 HB3 SER 8 HB3 SER 8 9.793 -12.934 5.930 44 HG SER 8 HG SER 8 7.281 -14.038 5.233 45 H ARG 9 H ARG 9 10.431 -10.965 3.961 46 HA ARG 9 HA ARG 9 8.194 -9.273 4.218 47 HB2 ARG 9 HB2 ARG 9 10.942 -8.720 2.984 48 HB3 ARG 9 HB3 ARG 9 9.719 -7.470 3.139 49 HG2 ARG 9 HG2 ARG 9 10.785 -9.056 5.490 50 HG3 ARG 9 HG3 ARG 9 11.444 -7.500 4.976 51 HD2 ARG 9 HD2 ARG 9 9.360 -6.358 5.386 52 HD3 ARG 9 HD3 ARG 9 8.505 -7.891 5.627 53 HE ARG 9 HE ARG 9 10.594 -7.618 7.546 54 HH11 ARG 9 HH11 ARG 9 7.278 -6.573 6.735 55 HH12 ARG 9 HH12 ARG 9 6.795 -6.277 8.360 56 HH21 ARG 9 HH21 ARG 9 9.976 -7.305 9.700 57 HH22 ARG 9 HH22 ARG 9 8.373 -6.725 10.080 58 H ARG 10 H ARG 10 9.768 -10.387 1.240 59 HA ARG 10 HA ARG 10 8.167 -8.911 -0.563 60 HB2 ARG 10 HB2 ARG 10 9.300 -11.743 -0.815 61 HB3 ARG 10 HB3 ARG 10 8.575 -10.858 -2.152 62 HG2 ARG 10 HG2 ARG 10 11.027 -9.865 -0.620 63 HG3 ARG 10 HG3 ARG 10 11.073 -10.771 -2.128 64 HD2 ARG 10 HD2 ARG 10 9.633 -8.991 -3.166 65 HD3 ARG 10 HD3 ARG 10 9.746 -8.121 -1.610 66 HE ARG 10 HE ARG 10 12.285 -8.747 -2.868 67 HH11 ARG 10 HH11 ARG 10 9.594 -6.425 -2.658 68 HH12 ARG 10 HH12 ARG 10 10.545 -5.009 -2.931 69 HH21 ARG 10 HH21 ARG 10 13.629 -6.791 -2.999 70 HH22 ARG 10 HH22 ARG 10 12.877 -5.233 -3.110 71 H LEU 11 H LEU 11 7.406 -12.083 0.919 72 HA LEU 11 HA LEU 11 4.870 -12.314 -0.446 73 HB2 LEU 11 HB2 LEU 11 6.125 -13.722 1.929 74 HB3 LEU 11 HB3 LEU 11 4.425 -13.937 1.517 75 HG LEU 11 HG LEU 11 5.082 -14.637 -0.806 76 HD11 LEU 11 HD11 LEU 11 7.890 -14.721 0.358 77 HD12 LEU 11 HD12 LEU 11 7.339 -13.734 -1.015 78 HD13 LEU 11 HD13 LEU 11 7.382 -15.483 -1.170 79 HD21 LEU 11 HD21 LEU 11 5.758 -16.894 -0.144 80 HD22 LEU 11 HD22 LEU 11 4.483 -16.264 0.906 81 HD23 LEU 11 HD23 LEU 11 6.164 -16.307 1.493 82 H SER 12 H SER 12 5.836 -11.083 2.838 83 HA SER 12 HA SER 12 3.247 -10.529 3.766 84 HB2 SER 12 HB2 SER 12 5.910 -9.163 4.310 85 HB3 SER 12 HB3 SER 12 4.452 -8.925 5.269 86 HG SER 12 HG SER 12 5.892 -10.522 6.109 87 H ILE 13 H ILE 13 5.449 -8.400 1.955 88 HA ILE 13 HA ILE 13 3.809 -6.157 1.735 89 HB ILE 13 HB ILE 13 5.958 -7.317 -0.118 90 HG12 ILE 13 HG12 ILE 13 6.061 -4.862 1.672 91 HG13 ILE 13 HG13 ILE 13 6.470 -6.459 2.267 92 HG21 ILE 13 HG21 ILE 13 5.998 -4.906 -1.052 93 HG22 ILE 13 HG22 ILE 13 4.757 -6.026 -1.598 94 HG23 ILE 13 HG23 ILE 13 4.365 -4.789 -0.370 95 HD11 ILE 13 HD11 ILE 13 7.881 -5.085 -0.066 96 HD12 ILE 13 HD12 ILE 13 8.510 -5.308 1.576 97 HD13 ILE 13 HD13 ILE 13 8.224 -6.717 0.531 98 H GLN 14 H GLN 14 4.090 -8.989 -0.524 99 HA GLN 14 HA GLN 14 2.062 -8.263 -2.326 100 HB2 GLN 14 HB2 GLN 14 3.070 -10.992 -1.478 101 HB3 GLN 14 HB3 GLN 14 1.936 -10.747 -2.804 102 HG2 GLN 14 HG2 GLN 14 3.493 -9.638 -4.146 103 HG3 GLN 14 HG3 GLN 14 4.562 -9.256 -2.812 104 HE21 GLN 14 HE21 GLN 14 6.431 -10.298 -3.297 105 HE22 GLN 14 HE22 GLN 14 6.588 -12.025 -3.614 106 H ARG 15 H ARG 15 1.733 -10.252 0.654 107 HA ARG 15 HA ARG 15 -1.018 -10.887 0.384 108 HB2 ARG 15 HB2 ARG 15 0.670 -10.377 2.885 109 HB3 ARG 15 HB3 ARG 15 -1.006 -10.930 2.928 110 HG2 ARG 15 HG2 ARG 15 -0.202 -12.925 1.490 111 HG3 ARG 15 HG3 ARG 15 1.427 -12.455 1.964 112 HD2 ARG 15 HD2 ARG 15 -0.881 -13.167 3.791 113 HD3 ARG 15 HD3 ARG 15 0.550 -14.167 3.494 114 HE ARG 15 HE ARG 15 0.219 -12.020 5.398 115 HH11 ARG 15 HH11 ARG 15 2.773 -13.866 3.664 116 HH12 ARG 15 HH12 ARG 15 4.000 -13.149 4.638 117 HH21 ARG 15 HH21 ARG 15 1.918 -11.200 6.603 118 HH22 ARG 15 HH22 ARG 15 3.574 -11.495 6.120 119 H ALA 16 H ALA 16 0.589 -8.128 2.026 120 HA ALA 16 HA ALA 16 -1.777 -6.826 2.877 121 HB1 ALA 16 HB1 ALA 16 0.469 -6.250 3.736 122 HB2 ALA 16 HB2 ALA 16 0.909 -5.568 2.158 123 HB3 ALA 16 HB3 ALA 16 -0.378 -4.816 3.114 124 H ILE 17 H ILE 17 0.178 -6.232 -0.094 125 HA ILE 17 HA ILE 17 -1.406 -4.253 -1.224 126 HB ILE 17 HB ILE 17 0.257 -6.445 -2.537 127 HG12 ILE 17 HG12 ILE 17 0.982 -3.513 -2.311 128 HG13 ILE 17 HG13 ILE 17 1.213 -4.544 -0.923 129 HG21 ILE 17 HG21 ILE 17 -1.173 -5.566 -4.318 130 HG22 ILE 17 HG22 ILE 17 -0.845 -3.896 -3.796 131 HG23 ILE 17 HG23 ILE 17 0.447 -4.848 -4.514 132 HD11 ILE 17 HD11 ILE 17 2.356 -5.175 -3.648 133 HD12 ILE 17 HD12 ILE 17 3.237 -4.368 -2.334 134 HD13 ILE 17 HD13 ILE 17 2.651 -6.050 -2.185 135 H GLN 18 H GLN 18 -1.776 -7.817 -1.826 136 HA GLN 18 HA GLN 18 -4.039 -7.481 -3.558 137 HB2 GLN 18 HB2 GLN 18 -3.053 -9.827 -1.873 138 HB3 GLN 18 HB3 GLN 18 -4.468 -9.912 -2.939 139 HG2 GLN 18 HG2 GLN 18 -3.013 -9.128 -4.850 140 HG3 GLN 18 HG3 GLN 18 -1.610 -9.278 -3.789 141 HE21 GLN 18 HE21 GLN 18 -4.178 -11.060 -5.505 142 HE22 GLN 18 HE22 GLN 18 -3.393 -12.619 -5.448 143 H SER 19 H SER 19 -3.810 -7.857 0.000 144 HA SER 19 HA SER 19 -6.644 -8.108 0.390 145 HB2 SER 19 HB2 SER 19 -4.622 -6.889 2.329 146 HB3 SER 19 HB3 SER 19 -6.180 -7.615 2.728 147 HG SER 19 HG SER 19 -3.911 -8.973 1.643 148 H LEU 20 H LEU 20 -4.447 -5.354 0.170 149 HA LEU 20 HA LEU 20 -6.256 -3.334 1.050 150 HB2 LEU 20 HB2 LEU 20 -3.631 -3.468 0.881 151 HB3 LEU 20 HB3 LEU 20 -3.855 -2.893 -0.753 152 HG LEU 20 HG LEU 20 -4.562 -1.608 1.883 153 HD11 LEU 20 HD11 LEU 20 -2.719 -0.726 -0.360 154 HD12 LEU 20 HD12 LEU 20 -2.209 -1.549 1.124 155 HD13 LEU 20 HD13 LEU 20 -2.934 0.060 1.207 156 HD21 LEU 20 HD21 LEU 20 -5.393 0.373 0.711 157 HD22 LEU 20 HD22 LEU 20 -6.411 -1.006 0.447 158 HD23 LEU 20 HD23 LEU 20 -5.292 -0.491 -0.847 159 H VAL 21 H VAL 21 -5.028 -4.134 -2.321 160 HA VAL 21 HA VAL 21 -6.816 -2.273 -3.512 161 HB VAL 21 HB VAL 21 -6.418 -3.294 -5.634 162 HG11 VAL 21 HG11 VAL 21 -3.821 -3.383 -4.053 163 HG12 VAL 21 HG12 VAL 21 -4.054 -3.019 -5.778 164 HG13 VAL 21 HG13 VAL 21 -4.655 -1.884 -4.561 165 HG21 VAL 21 HG21 VAL 21 -6.636 -5.639 -5.153 166 HG22 VAL 21 HG22 VAL 21 -5.068 -5.338 -5.911 167 HG23 VAL 21 HG23 VAL 21 -5.165 -5.630 -4.153 168 H HIS 22 H HIS 22 -7.379 -5.658 -2.434 169 HA HIS 22 HA HIS 22 -9.864 -5.850 -3.840 170 HB2 HIS 22 HB2 HIS 22 -8.819 -7.849 -2.970 171 HB3 HIS 22 HB3 HIS 22 -8.866 -7.213 -1.327 172 HD1 HIS 22 HD1 HIS 22 -12.070 -6.822 -3.438 173 HD2 HIS 22 HD2 HIS 22 -10.362 -9.183 -0.378 174 HE1 HIS 22 HE1 HIS 22 -13.977 -8.128 -2.396 175 H ALA 23 H ALA 23 -9.074 -4.838 -0.420 176 HA ALA 23 HA ALA 23 -11.668 -4.247 0.385 177 HB1 ALA 23 HB1 ALA 23 -9.058 -2.917 1.174 178 HB2 ALA 23 HB2 ALA 23 -10.573 -2.735 2.071 179 HB3 ALA 23 HB3 ALA 23 -9.827 -4.337 1.932 180 H ALA 24 H ALA 24 -9.448 -2.208 -1.489 181 HA ALA 24 HA ALA 24 -10.889 0.212 -1.318 182 HB1 ALA 24 HB1 ALA 24 -9.111 -0.854 -3.548 183 HB2 ALA 24 HB2 ALA 24 -9.538 0.857 -3.322 184 HB3 ALA 24 HB3 ALA 24 -8.541 0.008 -2.107 185 H GLN 25 H GLN 25 -11.645 -2.586 -3.206 186 HA GLN 25 HA GLN 25 -13.870 -1.060 -4.510 187 HB2 GLN 25 HB2 GLN 25 -13.620 -2.860 -6.360 188 HB3 GLN 25 HB3 GLN 25 -12.539 -1.468 -6.343 189 HG2 GLN 25 HG2 GLN 25 -10.768 -2.689 -5.374 190 HG3 GLN 25 HG3 GLN 25 -11.781 -4.116 -5.062 191 HE21 GLN 25 HE21 GLN 25 -9.266 -4.107 -6.340 192 HE22 GLN 25 HE22 GLN 25 -9.491 -4.617 -8.018 193 H CYS 26 H CYS 26 -13.117 -3.442 -2.317 194 HA CYS 26 HA CYS 26 -14.872 -5.525 -2.679 195 HB2 CYS 26 HB2 CYS 26 -13.086 -5.392 -1.004 196 HB3 CYS 26 HB3 CYS 26 -14.056 -4.228 -0.089 197 H ARG 27 H ARG 27 -16.819 -5.119 -3.427 198 HA ARG 27 HA ARG 27 -18.836 -3.690 -1.723 199 HB2 ARG 27 HB2 ARG 27 -18.351 -2.776 -4.028 200 HB3 ARG 27 HB3 ARG 27 -18.852 -4.322 -4.707 201 HG2 ARG 27 HG2 ARG 27 -21.155 -3.943 -3.751 202 HG3 ARG 27 HG3 ARG 27 -20.590 -2.386 -3.125 203 HD2 ARG 27 HD2 ARG 27 -21.762 -1.982 -5.199 204 HD3 ARG 27 HD3 ARG 27 -20.049 -1.676 -5.449 205 HE ARG 27 HE ARG 27 -19.918 -3.413 -6.944 206 HH11 ARG 27 HH11 ARG 27 -23.059 -3.631 -5.298 207 HH12 ARG 27 HH12 ARG 27 -23.630 -4.965 -6.234 208 HH21 ARG 27 HH21 ARG 27 -20.703 -5.095 -8.290 209 HH22 ARG 27 HH22 ARG 27 -22.255 -5.808 -7.988 210 H ASN 28 H ASN 28 -17.786 -6.778 -3.048 211 HA ASN 28 HA ASN 28 -20.359 -8.020 -3.007 212 HB2 ASN 28 HB2 ASN 28 -19.295 -10.034 -3.533 213 HB3 ASN 28 HB3 ASN 28 -18.429 -8.781 -4.401 214 HD21 ASN 28 HD21 ASN 28 -17.789 -11.640 -3.150 215 HD22 ASN 28 HD22 ASN 28 -16.199 -11.331 -2.523 216 H ALA 29 H ALA 29 -21.539 -8.690 -1.286 217 HA ALA 29 HA ALA 29 -20.458 -8.356 1.401 218 HB1 ALA 29 HB1 ALA 29 -22.748 -7.704 0.915 219 HB2 ALA 29 HB2 ALA 29 -23.154 -9.390 0.497 220 HB3 ALA 29 HB3 ALA 29 -22.697 -8.966 2.154 221 H ASN 30 H ASN 30 -20.283 -10.892 -0.822 222 HA ASN 30 HA ASN 30 -20.538 -13.121 1.025 223 HB2 ASN 30 HB2 ASN 30 -20.644 -13.561 -1.373 224 HB3 ASN 30 HB3 ASN 30 -19.056 -12.824 -1.619 225 HD21 ASN 30 HD21 ASN 30 -20.695 -15.792 -0.411 226 HD22 ASN 30 HD22 ASN 30 -19.201 -16.697 -0.349 227 H CYS 31 H CYS 31 -18.011 -10.789 0.168 228 HA CYS 31 HA CYS 31 -15.776 -12.144 1.259 229 HB2 CYS 31 HB2 CYS 31 -15.633 -10.092 -0.226 230 HB3 CYS 31 HB3 CYS 31 -16.268 -9.136 1.116 231 H SER 32 H SER 32 -15.180 -12.489 3.251 232 HA SER 32 HA SER 32 -15.984 -10.815 5.490 233 HB2 SER 32 HB2 SER 32 -16.757 -12.961 6.732 234 HB3 SER 32 HB3 SER 32 -17.875 -12.200 5.594 235 HG SER 32 HG SER 32 -16.574 -13.825 4.092 236 H LEU 33 H LEU 33 -13.849 -10.315 5.737 237 HA LEU 33 HA LEU 33 -12.019 -12.478 6.598 238 HB2 LEU 33 HB2 LEU 33 -11.571 -10.388 4.431 239 HB3 LEU 33 HB3 LEU 33 -10.213 -11.165 5.230 240 HG LEU 33 HG LEU 33 -12.369 -12.688 3.695 241 HD11 LEU 33 HD11 LEU 33 -10.688 -12.903 1.917 242 HD12 LEU 33 HD12 LEU 33 -9.582 -11.839 2.817 243 HD13 LEU 33 HD13 LEU 33 -11.125 -11.215 2.187 244 HD21 LEU 33 HD21 LEU 33 -10.801 -14.549 3.806 245 HD22 LEU 33 HD22 LEU 33 -11.137 -14.023 5.436 246 HD23 LEU 33 HD23 LEU 33 -9.601 -13.561 4.679 247 HA PRO 34 HA PRO 34 -11.105 -9.460 9.661 248 HB2 PRO 34 HB2 PRO 34 -8.553 -10.022 10.441 249 HB3 PRO 34 HB3 PRO 34 -9.926 -11.133 10.721 250 HG2 PRO 34 HG2 PRO 34 -7.908 -11.249 8.455 251 HG3 PRO 34 HG3 PRO 34 -8.421 -12.559 9.557 252 HD2 PRO 34 HD2 PRO 34 -9.558 -12.263 7.111 253 HD3 PRO 34 HD3 PRO 34 -10.537 -12.737 8.528 254 H SER 35 H SER 35 -8.523 -9.707 7.146 255 HA SER 35 HA SER 35 -7.627 -7.005 7.636 256 HB2 SER 35 HB2 SER 35 -6.275 -9.005 6.696 257 HB3 SER 35 HB3 SER 35 -6.964 -8.516 5.137 258 HG SER 35 HG SER 35 -4.943 -7.664 5.582 259 H CYS 36 H CYS 36 -9.667 -8.569 5.037 260 HA CYS 36 HA CYS 36 -9.939 -6.278 3.497 261 HB2 CYS 36 HB2 CYS 36 -10.869 -8.755 3.142 262 HB3 CYS 36 HB3 CYS 36 -12.342 -8.068 3.833 263 H GLN 37 H GLN 37 -12.068 -7.242 6.263 264 HA GLN 37 HA GLN 37 -13.656 -4.916 6.091 265 HB2 GLN 37 HB2 GLN 37 -14.594 -5.456 8.174 266 HB3 GLN 37 HB3 GLN 37 -14.315 -6.950 7.286 267 HG2 GLN 37 HG2 GLN 37 -12.255 -7.335 8.680 268 HG3 GLN 37 HG3 GLN 37 -12.629 -5.881 9.601 269 HE21 GLN 37 HE21 GLN 37 -13.844 -9.141 8.775 270 HE22 GLN 37 HE22 GLN 37 -14.950 -9.253 10.136 271 H LYS 38 H LYS 38 -10.664 -5.418 8.125 272 HA LYS 38 HA LYS 38 -10.893 -2.816 9.306 273 HB2 LYS 38 HB2 LYS 38 -8.893 -3.234 10.371 274 HB3 LYS 38 HB3 LYS 38 -9.544 -4.837 10.129 275 HG2 LYS 38 HG2 LYS 38 -8.029 -4.846 7.988 276 HG3 LYS 38 HG3 LYS 38 -7.213 -3.479 8.718 277 HD2 LYS 38 HD2 LYS 38 -7.592 -6.206 10.038 278 HD3 LYS 38 HD3 LYS 38 -6.168 -5.759 9.087 279 HE2 LYS 38 HE2 LYS 38 -5.723 -3.865 10.656 280 HE3 LYS 38 HE3 LYS 38 -7.189 -4.252 11.559 281 HZ1 LYS 38 HZ1 LYS 38 -6.141 -6.440 12.054 282 HZ2 LYS 38 HZ2 LYS 38 -5.388 -5.150 12.717 283 HZ3 LYS 38 HZ3 LYS 38 -4.734 -5.877 11.408 284 H MET 39 H MET 39 -9.375 -3.945 6.315 285 HA MET 39 HA MET 39 -7.920 -1.617 5.650 286 HB2 MET 39 HB2 MET 39 -9.121 -3.897 4.044 287 HB3 MET 39 HB3 MET 39 -8.257 -2.560 3.284 288 HG2 MET 39 HG2 MET 39 -6.954 -4.350 5.363 289 HG3 MET 39 HG3 MET 39 -6.925 -4.632 3.624 290 HE1 MET 39 HE1 MET 39 -3.320 -3.320 4.033 291 HE2 MET 39 HE2 MET 39 -4.294 -4.652 4.719 292 HE3 MET 39 HE3 MET 39 -4.334 -4.318 2.959 293 H LYS 40 H LYS 40 -11.403 -2.469 5.238 294 HA LYS 40 HA LYS 40 -12.068 -0.609 3.286 295 HB2 LYS 40 HB2 LYS 40 -13.827 -1.051 5.711 296 HB3 LYS 40 HB3 LYS 40 -14.287 -0.448 4.125 297 HG2 LYS 40 HG2 LYS 40 -13.491 -3.234 4.872 298 HG3 LYS 40 HG3 LYS 40 -15.075 -2.642 4.354 299 HD2 LYS 40 HD2 LYS 40 -14.202 -2.307 2.066 300 HD3 LYS 40 HD3 LYS 40 -12.602 -2.816 2.636 301 HE2 LYS 40 HE2 LYS 40 -13.440 -4.782 1.707 302 HE3 LYS 40 HE3 LYS 40 -13.651 -4.992 3.437 303 HZ1 LYS 40 HZ1 LYS 40 -15.806 -4.074 1.620 304 HZ2 LYS 40 HZ2 LYS 40 -15.986 -4.571 3.198 305 HZ3 LYS 40 HZ3 LYS 40 -15.548 -5.612 2.007 306 H ARG 41 H ARG 41 -11.598 -0.060 6.718 307 HA ARG 41 HA ARG 41 -12.579 2.625 6.831 308 HB2 ARG 41 HB2 ARG 41 -10.243 1.511 8.465 309 HB3 ARG 41 HB3 ARG 41 -11.254 2.895 8.870 310 HG2 ARG 41 HG2 ARG 41 -12.132 -0.030 8.760 311 HG3 ARG 41 HG3 ARG 41 -11.768 0.896 10.214 312 HD2 ARG 41 HD2 ARG 41 -13.674 2.422 9.747 313 HD3 ARG 41 HD3 ARG 41 -14.013 1.528 8.257 314 HE ARG 41 HE ARG 41 -14.940 -0.216 9.426 315 HH11 ARG 41 HH11 ARG 41 -13.326 1.926 11.825 316 HH12 ARG 41 HH12 ARG 41 -13.866 1.010 13.163 317 HH21 ARG 41 HH21 ARG 41 -15.577 -1.384 11.157 318 HH22 ARG 41 HH22 ARG 41 -14.958 -1.054 12.768 319 H VAL 42 H VAL 42 -9.182 1.568 6.338 320 HA VAL 42 HA VAL 42 -8.311 4.272 5.951 321 HB VAL 42 HB VAL 42 -6.217 3.096 5.029 322 HG11 VAL 42 HG11 VAL 42 -5.436 2.669 7.248 323 HG12 VAL 42 HG12 VAL 42 -6.508 4.072 7.266 324 HG13 VAL 42 HG13 VAL 42 -7.098 2.507 7.870 325 HG21 VAL 42 HG21 VAL 42 -5.923 0.782 5.781 326 HG22 VAL 42 HG22 VAL 42 -7.597 0.649 6.264 327 HG23 VAL 42 HG23 VAL 42 -7.173 0.863 4.540 328 H VAL 43 H VAL 43 -9.416 1.762 3.594 329 HA VAL 43 HA VAL 43 -8.603 3.410 1.395 330 HB VAL 43 HB VAL 43 -9.907 1.928 -0.024 331 HG11 VAL 43 HG11 VAL 43 -8.341 0.411 2.081 332 HG12 VAL 43 HG12 VAL 43 -8.718 -0.126 0.433 333 HG13 VAL 43 HG13 VAL 43 -7.670 1.277 0.688 334 HG21 VAL 43 HG21 VAL 43 -11.889 1.542 1.322 335 HG22 VAL 43 HG22 VAL 43 -11.110 0.003 0.919 336 HG23 VAL 43 HG23 VAL 43 -10.852 0.722 2.508 337 H GLN 44 H GLN 44 -11.616 3.232 3.337 338 HA GLN 44 HA GLN 44 -13.119 5.089 1.782 339 HB2 GLN 44 HB2 GLN 44 -13.243 4.100 4.663 340 HB3 GLN 44 HB3 GLN 44 -14.355 5.306 4.100 341 HG2 GLN 44 HG2 GLN 44 -14.053 2.548 2.855 342 HG3 GLN 44 HG3 GLN 44 -15.305 3.024 4.004 343 HE21 GLN 44 HE21 GLN 44 -16.583 5.140 3.208 344 HE22 GLN 44 HE22 GLN 44 -17.023 5.129 1.516 345 H HIS 45 H HIS 45 -10.720 5.469 4.360 346 HA HIS 45 HA HIS 45 -11.140 8.293 4.876 347 HB2 HIS 45 HB2 HIS 45 -10.079 7.018 6.529 348 HB3 HIS 45 HB3 HIS 45 -8.982 6.256 5.393 349 HD1 HIS 45 HD1 HIS 45 -9.393 9.592 7.228 350 HD2 HIS 45 HD2 HIS 45 -6.702 7.454 4.798 351 HE1 HIS 45 HE1 HIS 45 -7.182 10.833 7.300 352 H THR 46 H THR 46 -8.499 6.566 3.075 353 HA THR 46 HA THR 46 -7.385 8.762 1.869 354 HB THR 46 HB THR 46 -6.375 7.106 0.294 355 HG1 THR 46 HG1 THR 46 -7.784 5.195 1.845 356 HG21 THR 46 HG21 THR 46 -5.468 7.553 2.629 357 HG22 THR 46 HG22 THR 46 -5.078 5.962 1.976 358 HG23 THR 46 HG23 THR 46 -6.345 6.094 3.178 359 H LYS 47 H LYS 47 -10.179 6.982 0.558 360 HA LYS 47 HA LYS 47 -9.981 8.138 -2.021 361 HB2 LYS 47 HB2 LYS 47 -12.218 7.520 -2.398 362 HB3 LYS 47 HB3 LYS 47 -11.373 6.255 -1.450 363 HG2 LYS 47 HG2 LYS 47 -12.560 6.707 0.464 364 HG3 LYS 47 HG3 LYS 47 -13.222 8.235 -0.112 365 HD2 LYS 47 HD2 LYS 47 -14.871 6.336 -0.040 366 HD3 LYS 47 HD3 LYS 47 -14.710 7.079 -1.644 367 HE2 LYS 47 HE2 LYS 47 -13.293 5.294 -2.429 368 HE3 LYS 47 HE3 LYS 47 -13.102 4.654 -0.791 369 HZ1 LYS 47 HZ1 LYS 47 -15.155 3.714 -0.837 370 HZ2 LYS 47 HZ2 LYS 47 -14.655 3.516 -2.410 371 HZ3 LYS 47 HZ3 LYS 47 -15.755 4.651 -2.046 372 H GLY 48 H GLY 48 -11.043 9.595 0.905 373 HA2 GLY 48 HA2 GLY 48 -12.080 12.011 -0.551 374 HA3 GLY 48 HA3 GLY 48 -12.513 11.539 1.089 375 H CYS 49 H CYS 49 -9.224 10.909 0.778 376 HA CYS 49 HA CYS 49 -8.489 13.036 2.543 377 HB2 CYS 49 HB2 CYS 49 -6.934 10.871 1.151 378 HB3 CYS 49 HB3 CYS 49 -6.123 12.126 2.086 379 H LYS 50 H LYS 50 -8.573 14.987 1.955 380 HA LYS 50 HA LYS 50 -7.261 15.926 -0.564 381 HB2 LYS 50 HB2 LYS 50 -9.763 16.279 -0.172 382 HB3 LYS 50 HB3 LYS 50 -9.327 17.342 1.160 383 HG2 LYS 50 HG2 LYS 50 -9.914 18.610 -0.809 384 HG3 LYS 50 HG3 LYS 50 -8.210 18.889 -0.441 385 HD2 LYS 50 HD2 LYS 50 -7.476 17.543 -2.270 386 HD3 LYS 50 HD3 LYS 50 -9.042 16.716 -2.382 387 HE2 LYS 50 HE2 LYS 50 -10.101 18.902 -3.033 388 HE3 LYS 50 HE3 LYS 50 -8.484 19.624 -3.129 389 HZ1 LYS 50 HZ1 LYS 50 -7.970 18.171 -4.930 390 HZ2 LYS 50 HZ2 LYS 50 -9.471 18.761 -5.246 391 HZ3 LYS 50 HZ3 LYS 50 -9.326 17.240 -4.663 392 H ARG 51 H ARG 51 -7.113 15.982 2.871 393 HA ARG 51 HA ARG 51 -5.640 18.422 3.243 394 HB2 ARG 51 HB2 ARG 51 -5.247 17.648 5.485 395 HB3 ARG 51 HB3 ARG 51 -6.941 17.522 5.056 396 HG2 ARG 51 HG2 ARG 51 -6.839 15.108 4.938 397 HG3 ARG 51 HG3 ARG 51 -5.080 15.121 4.922 398 HD2 ARG 51 HD2 ARG 51 -5.602 14.474 7.116 399 HD3 ARG 51 HD3 ARG 51 -5.145 16.170 7.234 400 HE ARG 51 HE ARG 51 -8.001 15.318 7.073 401 HH11 ARG 51 HH11 ARG 51 -5.377 16.549 9.176 402 HH12 ARG 51 HH12 ARG 51 -6.476 16.945 10.451 403 HH21 ARG 51 HH21 ARG 51 -9.407 16.065 8.702 404 HH22 ARG 51 HH22 ARG 51 -8.780 16.644 10.199 405 H LYS 52 H LYS 52 -4.658 15.461 1.948 406 HA LYS 52 HA LYS 52 -2.163 14.852 2.725 407 HB2 LYS 52 HB2 LYS 52 -2.982 15.079 -0.191 408 HB3 LYS 52 HB3 LYS 52 -1.769 13.999 0.505 409 HG2 LYS 52 HG2 LYS 52 -3.677 12.965 1.876 410 HG3 LYS 52 HG3 LYS 52 -4.797 13.903 0.899 411 HD2 LYS 52 HD2 LYS 52 -2.794 11.911 -0.235 412 HD3 LYS 52 HD3 LYS 52 -4.489 11.533 0.156 413 HE2 LYS 52 HE2 LYS 52 -5.337 13.027 -1.484 414 HE3 LYS 52 HE3 LYS 52 -3.752 13.779 -1.746 415 HZ1 LYS 52 HZ1 LYS 52 -4.297 12.308 -3.517 416 HZ2 LYS 52 HZ2 LYS 52 -4.511 11.040 -2.522 417 HZ3 LYS 52 HZ3 LYS 52 -3.006 11.741 -2.721 418 H THR 53 H THR 53 -2.770 17.345 0.218 419 HA THR 53 HA THR 53 -0.283 18.248 -0.304 420 HB THR 53 HB THR 53 -2.867 19.835 -0.067 421 HG1 THR 53 HG1 THR 53 -3.590 18.869 -1.788 422 HG21 THR 53 HG21 THR 53 -0.666 20.080 -2.151 423 HG22 THR 53 HG22 THR 53 -1.002 21.239 -0.847 424 HG23 THR 53 HG23 THR 53 -2.197 20.983 -2.119 425 H ASN 54 H ASN 54 -2.304 19.222 2.521 426 HA ASN 54 HA ASN 54 -0.368 21.351 3.203 427 HB2 ASN 54 HB2 ASN 54 -3.111 20.722 4.352 428 HB3 ASN 54 HB3 ASN 54 -2.120 22.135 4.695 429 HD21 ASN 54 HD21 ASN 54 -1.551 23.584 2.765 430 HD22 ASN 54 HD22 ASN 54 -2.703 23.744 1.494 431 H GLY 55 H GLY 55 -0.099 18.270 3.604 432 HA2 GLY 55 HA2 GLY 55 1.427 17.270 5.131 433 HA3 GLY 55 HA3 GLY 55 0.997 18.457 6.375 434 H GLY 56 H GLY 56 -1.094 16.543 4.271 435 HA2 GLY 56 HA2 GLY 56 -2.917 15.854 6.323 436 HA3 GLY 56 HA3 GLY 56 -2.853 15.149 4.703 437 H CYS 57 H CYS 57 -3.630 13.740 6.737 438 HA CYS 57 HA CYS 57 -2.416 12.231 8.427 439 HB2 CYS 57 HB2 CYS 57 -4.022 10.388 7.218 440 HB3 CYS 57 HB3 CYS 57 -4.620 11.741 8.160 441 HA PRO 58 HA PRO 58 0.932 10.176 6.289 442 HB2 PRO 58 HB2 PRO 58 1.565 8.173 8.089 443 HB3 PRO 58 HB3 PRO 58 1.983 9.893 8.310 444 HG2 PRO 58 HG2 PRO 58 -0.438 8.442 9.439 445 HG3 PRO 58 HG3 PRO 58 0.734 9.478 10.307 446 HD2 PRO 58 HD2 PRO 58 -1.617 10.464 9.452 447 HD3 PRO 58 HD3 PRO 58 -0.119 11.433 9.261 448 H ILE 59 H ILE 59 -1.983 8.504 7.181 449 HA ILE 59 HA ILE 59 -1.613 5.950 6.184 450 HB ILE 59 HB ILE 59 -4.111 7.687 6.039 451 HG12 ILE 59 HG12 ILE 59 -3.276 5.641 8.149 452 HG13 ILE 59 HG13 ILE 59 -3.059 7.372 8.344 453 HG21 ILE 59 HG21 ILE 59 -4.284 5.639 4.566 454 HG22 ILE 59 HG22 ILE 59 -3.920 4.631 5.976 455 HG23 ILE 59 HG23 ILE 59 -5.406 5.606 5.907 456 HD11 ILE 59 HD11 ILE 59 -5.028 6.652 9.535 457 HD12 ILE 59 HD12 ILE 59 -5.484 7.745 8.216 458 HD13 ILE 59 HD13 ILE 59 -5.743 5.990 8.072 459 H CYS 60 H CYS 60 -2.508 8.883 4.201 460 HA CYS 60 HA CYS 60 -2.892 7.481 1.811 461 HB2 CYS 60 HB2 CYS 60 -1.718 10.253 1.943 462 HB3 CYS 60 HB3 CYS 60 -2.851 9.591 0.781 463 H LYS 61 H LYS 61 0.086 8.704 3.285 464 HA LYS 61 HA LYS 61 1.842 8.328 1.006 465 HB2 LYS 61 HB2 LYS 61 2.537 8.296 3.986 466 HB3 LYS 61 HB3 LYS 61 3.671 8.456 2.656 467 HG2 LYS 61 HG2 LYS 61 2.762 10.645 2.053 468 HG3 LYS 61 HG3 LYS 61 1.446 10.469 3.218 469 HD2 LYS 61 HD2 LYS 61 3.141 11.935 4.146 470 HD3 LYS 61 HD3 LYS 61 2.993 10.468 5.097 471 HE2 LYS 61 HE2 LYS 61 5.331 11.151 4.857 472 HE3 LYS 61 HE3 LYS 61 5.053 9.555 4.150 473 HZ1 LYS 61 HZ1 LYS 61 5.079 10.554 1.975 474 HZ2 LYS 61 HZ2 LYS 61 6.433 11.019 2.775 475 HZ3 LYS 61 HZ3 LYS 61 5.187 12.074 2.604 476 H GLN 62 H GLN 62 1.045 6.402 3.891 477 HA GLN 62 HA GLN 62 2.691 4.151 3.321 478 HB2 GLN 62 HB2 GLN 62 0.077 4.318 4.885 479 HB3 GLN 62 HB3 GLN 62 1.243 3.032 4.969 480 HG2 GLN 62 HG2 GLN 62 1.672 5.889 5.893 481 HG3 GLN 62 HG3 GLN 62 1.369 4.516 6.910 482 HE21 GLN 62 HE21 GLN 62 3.294 4.052 8.053 483 HE22 GLN 62 HE22 GLN 62 4.880 4.266 7.384 484 H LEU 63 H LEU 63 -0.733 4.861 2.486 485 HA LEU 63 HA LEU 63 -1.323 2.410 1.225 486 HB2 LEU 63 HB2 LEU 63 -3.050 4.041 1.741 487 HB3 LEU 63 HB3 LEU 63 -2.299 5.251 0.703 488 HG LEU 63 HG LEU 63 -2.829 3.943 -1.313 489 HD11 LEU 63 HD11 LEU 63 -3.975 1.986 0.669 490 HD12 LEU 63 HD12 LEU 63 -2.733 1.679 -0.565 491 HD13 LEU 63 HD13 LEU 63 -4.399 1.974 -1.067 492 HD21 LEU 63 HD21 LEU 63 -5.213 4.285 -1.318 493 HD22 LEU 63 HD22 LEU 63 -4.511 5.543 -0.293 494 HD23 LEU 63 HD23 LEU 63 -5.297 4.149 0.456 495 H ILE 64 H ILE 64 0.073 5.407 -0.151 496 HA ILE 64 HA ILE 64 0.281 4.507 -2.816 497 HB ILE 64 HB ILE 64 1.501 6.712 -1.155 498 HG12 ILE 64 HG12 ILE 64 -0.200 6.689 -3.703 499 HG13 ILE 64 HG13 ILE 64 -0.818 6.733 -2.039 500 HG21 ILE 64 HG21 ILE 64 3.370 6.178 -2.563 501 HG22 ILE 64 HG22 ILE 64 2.336 6.095 -4.006 502 HG23 ILE 64 HG23 ILE 64 2.623 7.643 -3.161 503 HD11 ILE 64 HD11 ILE 64 -0.915 8.943 -2.879 504 HD12 ILE 64 HD12 ILE 64 0.348 8.872 -1.639 505 HD13 ILE 64 HD13 ILE 64 0.788 8.908 -3.369 506 H ALA 65 H ALA 65 2.430 3.947 -0.034 507 HA ALA 65 HA ALA 65 4.742 3.152 -1.494 508 HB1 ALA 65 HB1 ALA 65 3.740 2.247 1.258 509 HB2 ALA 65 HB2 ALA 65 5.323 1.945 0.584 510 HB3 ALA 65 HB3 ALA 65 4.817 3.622 0.918 511 H LEU 66 H LEU 66 2.066 1.195 -0.131 512 HA LEU 66 HA LEU 66 3.106 -1.282 -1.227 513 HB2 LEU 66 HB2 LEU 66 0.418 -0.479 -0.065 514 HB3 LEU 66 HB3 LEU 66 0.718 -2.102 -0.653 515 HG LEU 66 HG LEU 66 2.401 -0.751 1.475 516 HD11 LEU 66 HD11 LEU 66 1.121 -2.171 3.067 517 HD12 LEU 66 HD12 LEU 66 0.103 -2.738 1.723 518 HD13 LEU 66 HD13 LEU 66 0.109 -1.017 2.183 519 HD21 LEU 66 HD21 LEU 66 3.628 -2.614 0.388 520 HD22 LEU 66 HD22 LEU 66 2.266 -3.708 0.747 521 HD23 LEU 66 HD23 LEU 66 3.200 -2.998 2.055 522 H ALA 67 H ALA 67 0.508 1.043 -2.196 523 HA ALA 67 HA ALA 67 -0.498 -0.369 -4.382 524 HB1 ALA 67 HB1 ALA 67 -1.290 1.835 -5.213 525 HB2 ALA 67 HB2 ALA 67 -1.607 1.595 -3.479 526 HB3 ALA 67 HB3 ALA 67 -0.265 2.630 -3.997 527 H ALA 68 H ALA 68 2.568 1.377 -4.220 528 HA ALA 68 HA ALA 68 2.998 1.674 -7.008 529 HB1 ALA 68 HB1 ALA 68 5.020 1.180 -4.773 530 HB2 ALA 68 HB2 ALA 68 5.377 1.853 -6.384 531 HB3 ALA 68 HB3 ALA 68 4.357 2.763 -5.247 532 H TYR 69 H TYR 69 3.292 -1.204 -4.923 533 HA TYR 69 HA TYR 69 4.715 -2.771 -6.932 534 HB2 TYR 69 HB2 TYR 69 3.138 -3.412 -4.466 535 HB3 TYR 69 HB3 TYR 69 3.755 -4.700 -5.488 536 HD1 TYR 69 HD1 TYR 69 4.588 -2.008 -3.167 537 HD2 TYR 69 HD2 TYR 69 6.086 -5.333 -5.393 538 HE1 TYR 69 HE1 TYR 69 6.837 -1.708 -2.075 539 HE2 TYR 69 HE2 TYR 69 8.327 -5.082 -4.304 540 HH TYR 69 HH TYR 69 8.955 -2.646 -1.764 541 H HIS 70 H HIS 70 1.275 -2.190 -5.988 542 HA HIS 70 HA HIS 70 0.211 -4.248 -7.694 543 HB2 HIS 70 HB2 HIS 70 -1.263 -3.454 -6.060 544 HB3 HIS 70 HB3 HIS 70 -0.921 -1.765 -6.387 545 HD1 HIS 70 HD1 HIS 70 -2.655 -4.729 -8.255 546 HD2 HIS 70 HD2 HIS 70 -2.405 -0.532 -8.076 547 HE1 HIS 70 HE1 HIS 70 -4.463 -3.851 -9.769 548 H ALA 71 H ALA 71 1.033 -0.789 -8.202 549 HA ALA 71 HA ALA 71 0.027 -0.493 -10.765 550 HB1 ALA 71 HB1 ALA 71 1.589 1.378 -10.947 551 HB2 ALA 71 HB2 ALA 71 0.869 1.309 -9.332 552 HB3 ALA 71 HB3 ALA 71 2.550 0.757 -9.599 553 H LYS 72 H LYS 72 3.263 -1.858 -9.909 554 HA LYS 72 HA LYS 72 3.879 -2.281 -12.714 555 HB2 LYS 72 HB2 LYS 72 5.857 -3.479 -11.965 556 HB3 LYS 72 HB3 LYS 72 5.705 -1.904 -11.198 557 HG2 LYS 72 HG2 LYS 72 5.352 -2.773 -9.106 558 HG3 LYS 72 HG3 LYS 72 4.563 -4.241 -9.710 559 HD2 LYS 72 HD2 LYS 72 6.469 -5.373 -10.144 560 HD3 LYS 72 HD3 LYS 72 7.494 -3.903 -10.210 561 HE2 LYS 72 HE2 LYS 72 7.153 -3.644 -7.738 562 HE3 LYS 72 HE3 LYS 72 6.199 -5.145 -7.756 563 HZ1 LYS 72 HZ1 LYS 72 9.086 -4.864 -8.357 564 HZ2 LYS 72 HZ2 LYS 72 8.214 -6.226 -8.708 565 HZ3 LYS 72 HZ3 LYS 72 8.407 -5.748 -7.166 566 H HIS 73 H HIS 73 1.607 -3.932 -10.911 567 HA HIS 73 HA HIS 73 2.163 -6.542 -12.265 568 HB2 HIS 73 HB2 HIS 73 0.452 -6.015 -9.824 569 HB3 HIS 73 HB3 HIS 73 0.721 -7.571 -10.604 570 HD1 HIS 73 HD1 HIS 73 1.487 -7.162 -7.549 571 HD2 HIS 73 HD2 HIS 73 4.098 -6.735 -10.832 572 HE1 HIS 73 HE1 HIS 73 3.879 -7.178 -6.627 573 H CYS 74 H CYS 74 -0.133 -3.908 -11.732 574 HA CYS 74 HA CYS 74 -2.354 -5.021 -12.954 575 HB2 CYS 74 HB2 CYS 74 -1.616 -2.525 -11.840 576 HB3 CYS 74 HB3 CYS 74 -2.072 -2.156 -13.514 577 H GLN 75 H GLN 75 -3.056 -5.292 -14.863 578 HA GLN 75 HA GLN 75 -1.214 -5.043 -17.203 579 HB2 GLN 75 HB2 GLN 75 -3.743 -6.704 -16.725 580 HB3 GLN 75 HB3 GLN 75 -2.753 -6.728 -18.176 581 HG2 GLN 75 HG2 GLN 75 -1.840 -7.557 -15.402 582 HG3 GLN 75 HG3 GLN 75 -2.290 -8.645 -16.708 583 HE21 GLN 75 HE21 GLN 75 0.266 -6.763 -15.345 584 HE22 GLN 75 HE22 GLN 75 1.423 -6.931 -16.668 585 H GLU 76 H GLU 76 -4.310 -4.106 -15.853 586 HA GLU 76 HA GLU 76 -5.364 -3.084 -18.385 587 HB2 GLU 76 HB2 GLU 76 -7.249 -2.371 -17.129 588 HB3 GLU 76 HB3 GLU 76 -6.859 -4.034 -16.686 589 HG2 GLU 76 HG2 GLU 76 -5.665 -3.103 -14.635 590 HG3 GLU 76 HG3 GLU 76 -6.339 -1.511 -15.055 591 H ASN 77 H ASN 77 -5.868 -0.822 -18.642 592 HA ASN 77 HA ASN 77 -3.722 0.942 -17.547 593 HB2 ASN 77 HB2 ASN 77 -5.446 0.986 -20.035 594 HB3 ASN 77 HB3 ASN 77 -4.445 2.345 -19.572 595 HD21 ASN 77 HD21 ASN 77 -2.064 1.829 -19.154 596 HD22 ASN 77 HD22 ASN 77 -1.329 0.574 -20.154 597 H LYS 78 H LYS 78 -6.948 0.288 -16.832 598 HA LYS 78 HA LYS 78 -7.329 3.009 -15.700 599 HB2 LYS 78 HB2 LYS 78 -9.387 1.480 -17.344 600 HB3 LYS 78 HB3 LYS 78 -9.781 2.795 -16.252 601 HG2 LYS 78 HG2 LYS 78 -9.769 3.890 -18.221 602 HG3 LYS 78 HG3 LYS 78 -8.156 4.253 -17.615 603 HD2 LYS 78 HD2 LYS 78 -7.226 2.535 -19.160 604 HD3 LYS 78 HD3 LYS 78 -8.854 2.171 -19.746 605 HE2 LYS 78 HE2 LYS 78 -9.040 4.173 -20.902 606 HE3 LYS 78 HE3 LYS 78 -7.976 5.044 -19.785 607 HZ1 LYS 78 HZ1 LYS 78 -7.001 3.049 -21.725 608 HZ2 LYS 78 HZ2 LYS 78 -6.101 4.033 -20.723 609 HZ3 LYS 78 HZ3 LYS 78 -6.954 4.705 -21.925 610 H CYS 79 H CYS 79 -6.224 1.343 -14.097 611 HA CYS 79 HA CYS 79 -7.509 -0.684 -12.869 612 HB2 CYS 79 HB2 CYS 79 -5.970 1.508 -11.428 613 HB3 CYS 79 HB3 CYS 79 -6.084 -0.198 -10.971 614 HA PRO 80 HA PRO 80 -10.952 1.129 -10.705 615 HB2 PRO 80 HB2 PRO 80 -11.297 -0.656 -8.609 616 HB3 PRO 80 HB3 PRO 80 -11.751 -1.017 -10.301 617 HG2 PRO 80 HG2 PRO 80 -9.241 -1.814 -8.854 618 HG3 PRO 80 HG3 PRO 80 -10.304 -2.798 -9.916 619 HD2 PRO 80 HD2 PRO 80 -7.998 -1.674 -10.849 620 HD3 PRO 80 HD3 PRO 80 -9.460 -1.774 -11.873 621 H VAL 81 H VAL 81 -7.962 0.323 -8.951 622 HA VAL 81 HA VAL 81 -8.596 1.997 -6.681 623 HB VAL 81 HB VAL 81 -5.942 0.762 -7.538 624 HG11 VAL 81 HG11 VAL 81 -5.362 1.140 -5.109 625 HG12 VAL 81 HG12 VAL 81 -5.562 2.638 -6.024 626 HG13 VAL 81 HG13 VAL 81 -6.864 2.088 -4.944 627 HG21 VAL 81 HG21 VAL 81 -8.068 -0.160 -5.545 628 HG22 VAL 81 HG22 VAL 81 -7.633 -0.970 -7.058 629 HG23 VAL 81 HG23 VAL 81 -6.460 -0.892 -5.748 630 HA PRO 82 HA PRO 82 -7.497 5.595 -9.162 631 HB2 PRO 82 HB2 PRO 82 -7.757 7.545 -7.207 632 HB3 PRO 82 HB3 PRO 82 -9.120 6.808 -8.103 633 HG2 PRO 82 HG2 PRO 82 -8.119 6.210 -5.338 634 HG3 PRO 82 HG3 PRO 82 -9.810 6.257 -5.941 635 HD2 PRO 82 HD2 PRO 82 -8.335 3.950 -5.550 636 HD3 PRO 82 HD3 PRO 82 -9.664 4.042 -6.711 637 H PHE 83 H PHE 83 -5.846 4.684 -6.192 638 HA PHE 83 HA PHE 83 -3.706 6.645 -6.570 639 HB2 PHE 83 HB2 PHE 83 -4.204 4.415 -4.609 640 HB3 PHE 83 HB3 PHE 83 -2.594 5.086 -4.805 641 HD1 PHE 83 HD1 PHE 83 -5.404 7.525 -5.236 642 HD2 PHE 83 HD2 PHE 83 -2.632 5.709 -2.479 643 HE1 PHE 83 HE1 PHE 83 -5.789 9.341 -3.647 644 HE2 PHE 83 HE2 PHE 83 -3.070 7.530 -0.845 645 HZ PHE 83 HZ PHE 83 -4.709 9.314 -1.399 646 H CYS 84 H CYS 84 -4.371 3.420 -7.812 647 HA CYS 84 HA CYS 84 -1.692 2.622 -8.374 648 HB2 CYS 84 HB2 CYS 84 -3.744 1.151 -8.495 649 HB3 CYS 84 HB3 CYS 84 -4.296 2.051 -9.894 650 H LEU 85 H LEU 85 -4.178 4.085 -10.473 651 HA LEU 85 HA LEU 85 -2.370 4.832 -12.499 652 HB2 LEU 85 HB2 LEU 85 -4.124 6.120 -13.514 653 HB3 LEU 85 HB3 LEU 85 -4.694 4.566 -12.945 654 HG LEU 85 HG LEU 85 -5.471 5.977 -10.823 655 HD11 LEU 85 HD11 LEU 85 -6.245 8.219 -11.386 656 HD12 LEU 85 HD12 LEU 85 -5.629 8.063 -13.045 657 HD13 LEU 85 HD13 LEU 85 -4.495 8.142 -11.688 658 HD21 LEU 85 HD21 LEU 85 -6.966 5.966 -13.463 659 HD22 LEU 85 HD22 LEU 85 -7.683 6.253 -11.860 660 HD23 LEU 85 HD23 LEU 85 -6.971 4.682 -12.229 661 H ASN 86 H ASN 86 -3.273 6.613 -9.514 662 HA ASN 86 HA ASN 86 -2.084 9.072 -10.351 663 HB2 ASN 86 HB2 ASN 86 -3.486 8.868 -8.273 664 HB3 ASN 86 HB3 ASN 86 -2.135 8.007 -7.503 665 HD21 ASN 86 HD21 ASN 86 -2.591 11.049 -9.469 666 HD22 ASN 86 HD22 ASN 86 -1.500 12.014 -8.502 667 H ILE 87 H ILE 87 -0.622 6.231 -8.680 668 HA ILE 87 HA ILE 87 2.007 7.301 -8.438 669 HB ILE 87 HB ILE 87 0.839 4.507 -8.616 670 HG12 ILE 87 HG12 ILE 87 2.275 5.893 -6.321 671 HG13 ILE 87 HG13 ILE 87 0.558 6.152 -6.610 672 HG21 ILE 87 HG21 ILE 87 3.048 4.211 -9.555 673 HG22 ILE 87 HG22 ILE 87 3.778 5.219 -8.274 674 HG23 ILE 87 HG23 ILE 87 3.076 3.635 -7.899 675 HD11 ILE 87 HD11 ILE 87 0.707 4.461 -4.985 676 HD12 ILE 87 HD12 ILE 87 0.192 3.666 -6.483 677 HD13 ILE 87 HD13 ILE 87 1.882 3.532 -5.929 678 H LYS 88 H LYS 88 0.484 5.336 -11.036 679 HA LYS 88 HA LYS 88 2.667 5.160 -12.732 680 HB2 LYS 88 HB2 LYS 88 -0.267 5.430 -13.430 681 HB3 LYS 88 HB3 LYS 88 0.982 5.017 -14.583 682 HG2 LYS 88 HG2 LYS 88 0.318 3.357 -12.123 683 HG3 LYS 88 HG3 LYS 88 -0.362 3.092 -13.722 684 HD2 LYS 88 HD2 LYS 88 2.588 2.901 -12.998 685 HD3 LYS 88 HD3 LYS 88 1.465 1.544 -13.189 686 HE2 LYS 88 HE2 LYS 88 1.017 2.250 -15.552 687 HE3 LYS 88 HE3 LYS 88 2.289 3.470 -15.395 688 HZ1 LYS 88 HZ1 LYS 88 2.659 0.543 -15.146 689 HZ2 LYS 88 HZ2 LYS 88 3.853 1.636 -14.957 690 HZ3 LYS 88 HZ3 LYS 88 3.120 1.469 -16.413 691 H GLN 89 H GLN 89 0.199 7.781 -12.656 692 HA GLN 89 HA GLN 89 1.240 9.316 -14.787 693 HB2 GLN 89 HB2 GLN 89 -0.325 10.155 -12.309 694 HB3 GLN 89 HB3 GLN 89 -0.017 11.219 -13.676 695 HG2 GLN 89 HG2 GLN 89 -1.508 8.576 -13.936 696 HG3 GLN 89 HG3 GLN 89 -2.271 10.126 -13.654 697 HE21 GLN 89 HE21 GLN 89 -0.846 7.998 -15.972 698 HE22 GLN 89 HE22 GLN 89 -0.785 9.041 -17.362 699 H LYS 90 H LYS 90 2.315 9.178 -11.416 700 HA LYS 90 HA LYS 90 3.953 11.620 -11.708 701 HB2 LYS 90 HB2 LYS 90 3.733 9.591 -9.478 702 HB3 LYS 90 HB3 LYS 90 4.612 11.121 -9.383 703 HG2 LYS 90 HG2 LYS 90 2.589 12.431 -9.658 704 HG3 LYS 90 HG3 LYS 90 1.598 10.997 -9.884 705 HD2 LYS 90 HD2 LYS 90 3.188 11.671 -7.399 706 HD3 LYS 90 HD3 LYS 90 1.443 11.913 -7.568 707 HE2 LYS 90 HE2 LYS 90 1.021 9.549 -7.612 708 HE3 LYS 90 HE3 LYS 90 2.710 9.182 -7.931 709 HZ1 LYS 90 HZ1 LYS 90 1.692 10.209 -5.357 710 HZ2 LYS 90 HZ2 LYS 90 3.264 10.148 -5.767 711 HZ3 LYS 90 HZ3 LYS 90 2.451 8.747 -5.679 712 H GLY 91 H GLY 91 4.375 8.330 -12.569 713 HA2 GLY 91 HA2 GLY 91 6.297 7.517 -13.652 714 HA3 GLY 91 HA3 GLY 91 7.247 8.816 -12.953 715 H GLY 92 H GLY 92 5.501 7.459 -10.407 716 HA2 GLY 92 HA2 GLY 92 5.954 5.931 -8.765 717 HA3 GLY 92 HA3 GLY 92 7.099 5.123 -9.837 718 H SER 93 H SER 93 9.046 7.000 -10.289 719 HA SER 93 HA SER 93 10.334 7.206 -7.648 720 HB2 SER 93 HB2 SER 93 11.511 6.249 -9.669 721 HB3 SER 93 HB3 SER 93 11.509 7.879 -10.367 722 HG SER 93 HG SER 93 13.331 7.998 -9.318 723 H GLY 94 H GLY 94 10.443 9.540 -10.429 724 HA2 GLY 94 HA2 GLY 94 8.858 11.575 -9.866 725 HA3 GLY 94 HA3 GLY 94 10.085 11.795 -8.596 726 H GLY 95 H GLY 95 12.378 10.982 -9.801 727 HA2 GLY 95 HA2 GLY 95 13.546 11.229 -12.025 728 HA3 GLY 95 HA3 GLY 95 12.779 12.821 -12.138 729 H GLY 96 H GLY 96 14.659 10.868 -9.784 730 HA2 GLY 96 HA2 GLY 96 16.523 11.378 -8.534 731 HA3 GLY 96 HA3 GLY 96 16.739 12.849 -9.492 732 H THR 97 H THR 97 14.199 11.575 -7.316 733 HA THR 97 HA THR 97 14.442 13.815 -5.426 734 HB THR 97 HB THR 97 11.961 13.217 -7.087 735 HG1 THR 97 HG1 THR 97 12.779 14.888 -8.062 736 HG21 THR 97 HG21 THR 97 10.773 14.824 -5.657 737 HG22 THR 97 HG22 THR 97 12.182 14.933 -4.577 738 HG23 THR 97 HG23 THR 97 11.253 13.417 -4.728 739 H GLY 98 H GLY 98 14.171 13.008 -3.394 740 HA2 GLY 98 HA2 GLY 98 12.583 11.533 -2.008 741 HA3 GLY 98 HA3 GLY 98 13.195 10.214 -3.014 742 H GLY 99 H GLY 99 15.457 12.767 -2.148 743 HA2 GLY 99 HA2 GLY 99 17.099 12.875 -0.541 744 HA3 GLY 99 HA3 GLY 99 16.511 11.369 0.195 745 H GLY 100 H GLY 100 17.004 11.356 -3.225 746 HA2 GLY 100 HA2 GLY 100 19.217 10.891 -4.269 747 HA3 GLY 100 HA3 GLY 100 19.500 9.725 -2.992 748 H SER 101 H SER 101 16.185 9.755 -4.123 749 HA SER 101 HA SER 101 16.456 7.025 -4.997 750 HB2 SER 101 HB2 SER 101 14.356 8.010 -3.988 751 HB3 SER 101 HB3 SER 101 14.079 8.819 -5.550 752 HG SER 101 HG SER 101 13.036 6.771 -5.436 753 H GLY 102 H GLY 102 17.709 6.696 -6.675 754 HA2 GLY 102 HA2 GLY 102 17.243 6.747 -9.240 755 HA3 GLY 102 HA3 GLY 102 17.729 8.442 -9.055 756 H THR 103 H THR 103 19.651 7.408 -6.705 757 HA THR 103 HA THR 103 21.888 7.331 -8.427 758 HB THR 103 HB THR 103 22.046 8.236 -6.186 759 HG1 THR 103 HG1 THR 103 24.086 7.048 -5.728 760 HG21 THR 103 HG21 THR 103 22.166 5.417 -5.097 761 HG22 THR 103 HG22 THR 103 20.719 6.431 -4.967 762 HG23 THR 103 HG23 THR 103 22.233 6.938 -4.199 763 H ILE 104 H ILE 104 23.255 5.814 -9.076 764 HA ILE 104 HA ILE 104 22.147 3.293 -9.871 765 HB ILE 104 HB ILE 104 25.023 4.330 -9.914 766 HG12 ILE 104 HG12 ILE 104 22.993 4.378 -12.179 767 HG13 ILE 104 HG13 ILE 104 23.373 5.769 -11.173 768 HG21 ILE 104 HG21 ILE 104 23.785 2.108 -11.595 769 HG22 ILE 104 HG22 ILE 104 25.469 2.660 -11.627 770 HG23 ILE 104 HG23 ILE 104 24.866 1.837 -10.209 771 HD11 ILE 104 HD11 ILE 104 25.770 5.619 -11.900 772 HD12 ILE 104 HD12 ILE 104 25.287 4.359 -13.063 773 HD13 ILE 104 HD13 ILE 104 24.620 5.986 -13.200 774 H GLU 105 H GLU 105 24.912 4.083 -7.801 775 HA GLU 105 HA GLU 105 25.168 1.442 -6.669 776 HB2 GLU 105 HB2 GLU 105 26.613 4.103 -6.345 777 HB3 GLU 105 HB3 GLU 105 27.163 2.594 -5.604 778 HG2 GLU 105 HG2 GLU 105 27.456 1.535 -7.779 779 HG3 GLU 105 HG3 GLU 105 26.715 2.892 -8.614 780 H GLY 106 H GLY 106 26.033 1.785 -4.174 781 HA2 GLY 106 HA2 GLY 106 25.401 1.889 -1.979 782 HA3 GLY 106 HA3 GLY 106 24.443 3.319 -2.395 783 H ARG 107 H ARG 107 23.879 0.193 -3.905 784 HA ARG 107 HA ARG 107 21.443 -0.255 -2.292 785 HB2 ARG 107 HB2 ARG 107 20.193 -0.758 -4.444 786 HB3 ARG 107 HB3 ARG 107 20.595 0.907 -4.115 787 HG2 ARG 107 HG2 ARG 107 21.074 0.864 -6.309 788 HG3 ARG 107 HG3 ARG 107 22.659 0.505 -5.698 789 HD2 ARG 107 HD2 ARG 107 22.508 -0.995 -7.421 790 HD3 ARG 107 HD3 ARG 107 22.028 -2.011 -6.066 791 HE ARG 107 HE ARG 107 19.995 -2.302 -7.096 792 HH11 ARG 107 HH11 ARG 107 21.430 0.655 -8.472 793 HH12 ARG 107 HH12 ARG 107 19.996 1.111 -9.313 794 HH21 ARG 107 HH21 ARG 107 18.354 -2.019 -8.712 795 HH22 ARG 107 HH22 ARG 107 18.333 -0.568 -9.643 796 H GLY 108 H GLY 108 20.541 -2.346 -2.577 797 HA2 GLY 108 HA2 GLY 108 20.986 -4.646 -3.634 798 HA3 GLY 108 HA3 GLY 108 22.626 -4.436 -3.000 799 H ASP 109 H ASP 109 20.897 -2.894 -0.749 800 HA ASP 109 HA ASP 109 21.165 -4.626 1.371 801 HB2 ASP 109 HB2 ASP 109 20.105 -2.954 2.613 802 HB3 ASP 109 HB3 ASP 109 20.829 -2.083 1.266 803 H GLY 110 H GLY 110 19.014 -5.252 -1.000 804 HA2 GLY 110 HA2 GLY 110 17.680 -7.316 -0.634 805 HA3 GLY 110 HA3 GLY 110 16.910 -6.471 0.719 806 H GLY 111 H GLY 111 17.050 -3.844 -0.829 807 HA2 GLY 111 HA2 GLY 111 15.893 -2.701 -2.486 808 HA3 GLY 111 HA3 GLY 111 15.426 -4.222 -3.246 809 H THR 112 H THR 112 14.868 -3.726 0.206 810 HA THR 112 HA THR 112 11.965 -3.270 -0.198 811 HB THR 112 HB THR 112 11.763 -4.618 2.003 812 HG1 THR 112 HG1 THR 112 14.033 -4.961 2.344 813 HG21 THR 112 HG21 THR 112 11.424 -6.688 0.863 814 HG22 THR 112 HG22 THR 112 12.449 -6.175 -0.484 815 HG23 THR 112 HG23 THR 112 10.883 -5.357 -0.175 816 H THR 113 H THR 113 14.666 -1.687 0.411 817 HA THR 113 HA THR 113 14.903 -0.617 2.850 818 HB THR 113 HB THR 113 14.782 1.055 0.335 819 HG1 THR 113 HG1 THR 113 16.976 -0.645 0.923 820 HG21 THR 113 HG21 THR 113 15.504 2.251 2.364 821 HG22 THR 113 HG22 THR 113 16.771 2.177 1.127 822 HG23 THR 113 HG23 THR 113 16.851 1.116 2.543 823 H PHE 114 H PHE 114 12.377 0.204 0.462 824 HA PHE 114 HA PHE 114 11.294 2.462 1.635 825 HB2 PHE 114 HB2 PHE 114 9.496 2.235 0.233 826 HB3 PHE 114 HB3 PHE 114 10.766 1.400 -0.645 827 HD1 PHE 114 HD1 PHE 114 7.425 1.263 0.172 828 HD2 PHE 114 HD2 PHE 114 10.879 -1.285 0.127 829 HE1 PHE 114 HE1 PHE 114 5.959 -0.731 0.509 830 HE2 PHE 114 HE2 PHE 114 9.432 -3.270 0.488 831 HZ PHE 114 HZ PHE 114 6.989 -2.985 0.715 832 H GLU 115 H GLU 115 11.048 -0.819 2.900 833 HA GLU 115 HA GLU 115 8.693 -0.636 4.422 834 HB2 GLU 115 HB2 GLU 115 11.336 -2.057 4.898 835 HB3 GLU 115 HB3 GLU 115 9.982 -2.228 6.004 836 HG2 GLU 115 HG2 GLU 115 9.819 -2.954 3.054 837 HG3 GLU 115 HG3 GLU 115 10.273 -4.088 4.328 838 H HIS 116 H HIS 116 11.803 1.016 4.874 839 HA HIS 116 HA HIS 116 11.737 1.553 7.620 840 HB2 HIS 116 HB2 HIS 116 13.304 3.157 7.266 841 HB3 HIS 116 HB3 HIS 116 13.532 2.154 5.851 842 HD1 HIS 116 HD1 HIS 116 12.400 5.647 6.943 843 HD2 HIS 116 HD2 HIS 116 12.856 3.357 3.435 844 HE1 HIS 116 HE1 HIS 116 12.107 7.226 5.009 845 H LEU 117 H LEU 117 9.706 2.893 5.093 846 HA LEU 117 HA LEU 117 8.770 5.257 6.385 847 HB2 LEU 117 HB2 LEU 117 7.720 3.402 4.265 848 HB3 LEU 117 HB3 LEU 117 6.626 4.562 4.943 849 HG LEU 117 HG LEU 117 8.519 6.326 4.346 850 HD11 LEU 117 HD11 LEU 117 10.088 4.501 3.519 851 HD12 LEU 117 HD12 LEU 117 9.824 5.855 2.408 852 HD13 LEU 117 HD13 LEU 117 9.014 4.289 2.136 853 HD21 LEU 117 HD21 LEU 117 6.245 6.362 3.399 854 HD22 LEU 117 HD22 LEU 117 6.684 5.093 2.247 855 HD23 LEU 117 HD23 LEU 117 7.443 6.687 2.124 856 H TRP 118 H TRP 118 7.950 1.819 6.940 857 HA TRP 118 HA TRP 118 5.393 2.249 8.116 858 HB2 TRP 118 HB2 TRP 118 7.368 0.014 8.606 859 HB3 TRP 118 HB3 TRP 118 5.663 0.018 9.024 860 HD1 TRP 118 HD1 TRP 118 7.696 -1.460 6.619 861 HE1 TRP 118 HE1 TRP 118 6.453 -2.046 4.389 862 HE3 TRP 118 HE3 TRP 118 3.502 1.243 7.316 863 HZ2 TRP 118 HZ2 TRP 118 4.188 -1.051 2.966 864 HZ3 TRP 118 HZ3 TRP 118 1.658 1.175 5.629 865 HH2 TRP 118 HH2 TRP 118 2.042 0.202 3.400 866 H SER 119 H SER 119 8.619 2.816 9.337 867 HA SER 119 HA SER 119 7.960 2.769 12.082 868 HB2 SER 119 HB2 SER 119 10.262 3.119 10.674 869 HB3 SER 119 HB3 SER 119 9.986 4.791 11.193 870 HG SER 119 HG SER 119 9.768 3.869 13.371 871 H SER 120 H SER 120 6.843 4.975 9.716 872 HA SER 120 HA SER 120 6.230 7.111 11.688 873 HB2 SER 120 HB2 SER 120 5.883 7.155 8.676 874 HB3 SER 120 HB3 SER 120 5.832 8.524 9.796 875 HG SER 120 HG SER 120 8.059 7.861 10.345 876 H LEU 121 H LEU 121 4.840 4.306 11.201 877 HA LEU 121 HA LEU 121 2.133 5.213 10.459 878 HB2 LEU 121 HB2 LEU 121 3.366 2.973 9.769 879 HB3 LEU 121 HB3 LEU 121 2.942 2.424 11.378 880 HG LEU 121 HG LEU 121 0.672 3.725 9.986 881 HD11 LEU 121 HD11 LEU 121 1.661 1.160 8.739 882 HD12 LEU 121 HD12 LEU 121 1.972 2.741 8.034 883 HD13 LEU 121 HD13 LEU 121 0.318 2.227 8.224 884 HD21 LEU 121 HD21 LEU 121 0.989 0.901 11.048 885 HD22 LEU 121 HD22 LEU 121 -0.524 1.746 10.604 886 HD23 LEU 121 HD23 LEU 121 0.426 2.295 11.997 887 H GLU 122 H GLU 122 0.314 4.778 12.099 888 HA GLU 122 HA GLU 122 1.044 5.785 14.635 889 HB2 GLU 122 HB2 GLU 122 -1.431 4.422 13.580 890 HB3 GLU 122 HB3 GLU 122 -1.330 4.956 15.258 891 HG2 GLU 122 HG2 GLU 122 -0.820 6.873 12.939 892 HG3 GLU 122 HG3 GLU 122 -2.439 6.518 13.544 893 HA PRO 123 HA PRO 123 2.743 1.952 16.196 894 HB2 PRO 123 HB2 PRO 123 2.951 2.620 18.900 895 HB3 PRO 123 HB3 PRO 123 4.100 3.053 17.603 896 HG2 PRO 123 HG2 PRO 123 1.805 4.710 18.688 897 HG3 PRO 123 HG3 PRO 123 3.499 5.227 18.393 898 HD2 PRO 123 HD2 PRO 123 1.561 5.768 16.638 899 HD3 PRO 123 HD3 PRO 123 3.154 5.213 16.038 900 H ASP 124 H ASP 124 -0.464 2.842 16.814 901 HA ASP 124 HA ASP 124 -1.080 0.786 18.791 902 HB2 ASP 124 HB2 ASP 124 -2.863 2.341 16.892 903 HB3 ASP 124 HB3 ASP 124 -3.456 1.187 18.082 904 H SER 125 H SER 125 -0.213 0.646 15.555 905 HA SER 125 HA SER 125 -0.307 -0.797 13.874 906 HB2 SER 125 HB2 SER 125 0.373 -3.033 14.406 907 HB3 SER 125 HB3 SER 125 1.209 -1.844 15.399 908 HG SER 125 HG SER 125 0.026 -2.454 17.165 909 H THR 126 H THR 126 -3.126 -0.106 14.834 910 HA THR 126 HA THR 126 -4.581 -2.552 14.355 911 HB THR 126 HB THR 126 -5.149 -0.743 15.965 912 HG1 THR 126 HG1 THR 126 -7.461 -1.128 15.528 913 HG21 THR 126 HG21 THR 126 -6.625 1.060 15.289 914 HG22 THR 126 HG22 THR 126 -6.488 0.596 13.580 915 HG23 THR 126 HG23 THR 126 -5.074 1.222 14.459 916 H TYR 127 H TYR 127 -3.451 -0.319 11.971 917 HA TYR 127 HA TYR 127 -5.545 -1.439 10.101 918 HB2 TYR 127 HB2 TYR 127 -5.248 0.577 8.706 919 HB3 TYR 127 HB3 TYR 127 -6.065 0.806 10.256 920 HD1 TYR 127 HD1 TYR 127 -3.345 1.671 8.127 921 HD2 TYR 127 HD2 TYR 127 -4.817 2.019 12.130 922 HE1 TYR 127 HE1 TYR 127 -1.810 3.639 8.509 923 HE2 TYR 127 HE2 TYR 127 -3.315 3.897 12.563 924 HH TYR 127 HH TYR 127 -1.174 5.287 9.976 925 H PHE 128 H PHE 128 -2.087 -0.605 10.286 926 HA PHE 128 HA PHE 128 -1.597 -2.405 7.971 927 HB2 PHE 128 HB2 PHE 128 -0.637 0.347 8.633 928 HB3 PHE 128 HB3 PHE 128 0.533 -0.733 7.893 929 HD1 PHE 128 HD1 PHE 128 -0.695 -2.182 5.819 930 HD2 PHE 128 HD2 PHE 128 -1.552 1.805 7.134 931 HE1 PHE 128 HE1 PHE 128 -1.491 -1.597 3.544 932 HE2 PHE 128 HE2 PHE 128 -2.205 2.455 4.790 933 HZ PHE 128 HZ PHE 128 -2.096 0.752 3.006 934 H ASP 129 H ASP 129 0.654 -3.061 7.869 935 HA ASP 129 HA ASP 129 1.687 -4.244 10.283 936 HB2 ASP 129 HB2 ASP 129 1.818 -5.185 7.903 937 HB3 ASP 129 HB3 ASP 129 2.969 -3.905 7.529 938 H LEU 130 H LEU 130 3.898 -3.835 10.892 939 HA LEU 130 HA LEU 130 4.712 -0.979 10.830 940 HB2 LEU 130 HB2 LEU 130 5.570 -1.235 13.078 941 HB3 LEU 130 HB3 LEU 130 3.857 -1.593 12.986 942 HG LEU 130 HG LEU 130 4.810 -4.142 12.762 943 HD11 LEU 130 HD11 LEU 130 7.188 -3.547 12.944 944 HD12 LEU 130 HD12 LEU 130 6.672 -4.462 14.353 945 HD13 LEU 130 HD13 LEU 130 6.890 -2.700 14.471 946 HD21 LEU 130 HD21 LEU 130 4.396 -4.374 15.180 947 HD22 LEU 130 HD22 LEU 130 3.167 -3.379 14.395 948 HD23 LEU 130 HD23 LEU 130 4.440 -2.602 15.361 Start of MODEL 13 1 H1 ALA 1 H ALA 1 13.969 -31.149 2.062 2 HA ALA 1 HA ALA 1 16.393 -30.870 1.474 3 HB1 ALA 1 HB1 ALA 1 16.259 -28.479 0.950 4 HB2 ALA 1 HB2 ALA 1 14.721 -29.275 0.575 5 HB3 ALA 1 HB3 ALA 1 14.873 -28.284 2.045 6 H THR 2 H THR 2 18.503 -29.995 2.191 7 HA THR 2 HA THR 2 18.758 -29.906 5.063 8 HB THR 2 HB THR 2 20.858 -29.182 3.008 9 HG1 THR 2 HG1 THR 2 20.050 -31.797 3.766 10 HG21 THR 2 HG21 THR 2 21.034 -30.645 5.681 11 HG22 THR 2 HG22 THR 2 21.528 -28.966 5.369 12 HG23 THR 2 HG23 THR 2 22.392 -30.296 4.582 13 H GLN 3 H GLN 3 18.393 -27.511 2.464 14 HA GLN 3 HA GLN 3 17.935 -25.376 4.329 15 HB2 GLN 3 HB2 GLN 3 19.720 -23.909 3.563 16 HB3 GLN 3 HB3 GLN 3 20.412 -25.364 4.248 17 HG2 GLN 3 HG2 GLN 3 20.414 -26.159 1.692 18 HG3 GLN 3 HG3 GLN 3 20.389 -24.424 1.388 19 HE21 GLN 3 HE21 GLN 3 22.478 -23.633 1.114 20 HE22 GLN 3 HE22 GLN 3 23.916 -24.283 1.860 21 H SER 4 H SER 4 17.327 -23.350 2.973 22 HA SER 4 HA SER 4 16.882 -23.644 0.165 23 HB2 SER 4 HB2 SER 4 14.383 -23.412 0.324 24 HB3 SER 4 HB3 SER 4 15.013 -25.013 0.694 25 HG SER 4 HG SER 4 13.365 -23.796 2.103 26 HA PRO 5 HA PRO 5 17.181 -19.277 0.958 27 HB2 PRO 5 HB2 PRO 5 16.309 -18.166 -1.377 28 HB3 PRO 5 HB3 PRO 5 17.828 -19.103 -1.277 29 HG2 PRO 5 HG2 PRO 5 15.110 -20.094 -2.173 30 HG3 PRO 5 HG3 PRO 5 16.678 -20.300 -3.005 31 HD2 PRO 5 HD2 PRO 5 15.666 -22.253 -1.412 32 HD3 PRO 5 HD3 PRO 5 17.419 -21.901 -1.452 33 H GLY 6 H GLY 6 15.863 -17.540 1.693 34 HA2 GLY 6 HA2 GLY 6 12.933 -18.110 1.784 35 HA3 GLY 6 HA3 GLY 6 13.852 -17.201 2.978 36 H ASP 7 H ASP 7 11.444 -16.498 1.362 37 HA ASP 7 HA ASP 7 12.295 -13.788 0.494 38 HB2 ASP 7 HB2 ASP 7 10.874 -14.033 -1.473 39 HB3 ASP 7 HB3 ASP 7 12.105 -15.286 -1.465 40 H SER 8 H SER 8 10.643 -15.203 2.845 41 HA SER 8 HA SER 8 8.024 -14.607 2.743 42 HB2 SER 8 HB2 SER 8 9.555 -14.039 5.271 43 HB3 SER 8 HB3 SER 8 7.971 -14.799 5.061 44 HG SER 8 HG SER 8 9.282 -16.501 3.870 45 H ARG 9 H ARG 9 10.535 -12.049 3.408 46 HA ARG 9 HA ARG 9 8.744 -10.066 4.229 47 HB2 ARG 9 HB2 ARG 9 11.420 -10.266 4.118 48 HB3 ARG 9 HB3 ARG 9 11.210 -9.437 2.570 49 HG2 ARG 9 HG2 ARG 9 10.035 -7.622 3.698 50 HG3 ARG 9 HG3 ARG 9 10.082 -8.497 5.233 51 HD2 ARG 9 HD2 ARG 9 11.835 -6.909 5.397 52 HD3 ARG 9 HD3 ARG 9 12.587 -8.485 5.127 53 HE ARG 9 HE ARG 9 12.096 -6.461 3.010 54 HH11 ARG 9 HH11 ARG 9 14.510 -8.123 4.929 55 HH12 ARG 9 HH12 ARG 9 15.798 -7.916 3.793 56 HH21 ARG 9 HH21 ARG 9 13.794 -6.291 1.379 57 HH22 ARG 9 HH22 ARG 9 15.353 -7.012 1.686 58 H ARG 10 H ARG 10 9.857 -11.013 0.970 59 HA ARG 10 HA ARG 10 8.511 -8.890 -0.425 60 HB2 ARG 10 HB2 ARG 10 9.384 -11.642 -1.409 61 HB3 ARG 10 HB3 ARG 10 8.893 -10.312 -2.443 62 HG2 ARG 10 HG2 ARG 10 11.097 -9.611 -0.534 63 HG3 ARG 10 HG3 ARG 10 11.492 -10.894 -1.676 64 HD2 ARG 10 HD2 ARG 10 10.963 -9.481 -3.558 65 HD3 ARG 10 HD3 ARG 10 10.384 -8.188 -2.473 66 HE ARG 10 HE ARG 10 13.115 -8.954 -1.889 67 HH11 ARG 10 HH11 ARG 10 11.232 -6.969 -4.142 68 HH12 ARG 10 HH12 ARG 10 12.559 -5.869 -4.468 69 HH21 ARG 10 HH21 ARG 10 14.823 -7.633 -2.385 70 HH22 ARG 10 HH22 ARG 10 14.690 -6.360 -3.562 71 H LEU 11 H LEU 11 7.576 -12.259 0.463 72 HA LEU 11 HA LEU 11 5.031 -12.113 -0.849 73 HB2 LEU 11 HB2 LEU 11 6.120 -13.913 1.334 74 HB3 LEU 11 HB3 LEU 11 4.400 -13.854 0.988 75 HG LEU 11 HG LEU 11 4.951 -14.307 -1.468 76 HD11 LEU 11 HD11 LEU 11 7.592 -15.125 -0.200 77 HD12 LEU 11 HD12 LEU 11 7.354 -13.865 -1.437 78 HD13 LEU 11 HD13 LEU 11 7.063 -15.565 -1.837 79 HD21 LEU 11 HD21 LEU 11 3.895 -15.931 0.017 80 HD22 LEU 11 HD22 LEU 11 5.484 -16.440 0.638 81 HD23 LEU 11 HD23 LEU 11 5.047 -16.734 -1.066 82 H SER 12 H SER 12 6.060 -11.239 2.462 83 HA SER 12 HA SER 12 3.547 -10.723 3.609 84 HB2 SER 12 HB2 SER 12 5.567 -10.912 4.925 85 HB3 SER 12 HB3 SER 12 6.331 -9.578 4.057 86 HG SER 12 HG SER 12 4.216 -9.441 5.925 87 H ILE 13 H ILE 13 5.811 -8.424 1.972 88 HA ILE 13 HA ILE 13 4.192 -6.162 1.942 89 HB ILE 13 HB ILE 13 6.218 -7.197 -0.089 90 HG12 ILE 13 HG12 ILE 13 6.553 -4.895 1.859 91 HG13 ILE 13 HG13 ILE 13 6.945 -6.546 2.312 92 HG21 ILE 13 HG21 ILE 13 4.651 -4.615 -0.071 93 HG22 ILE 13 HG22 ILE 13 6.261 -4.655 -0.793 94 HG23 ILE 13 HG23 ILE 13 5.035 -5.727 -1.414 95 HD11 ILE 13 HD11 ILE 13 8.202 -5.108 -0.086 96 HD12 ILE 13 HD12 ILE 13 8.943 -5.340 1.508 97 HD13 ILE 13 HD13 ILE 13 8.578 -6.743 0.495 98 H GLN 14 H GLN 14 4.368 -8.791 -0.515 99 HA GLN 14 HA GLN 14 2.393 -7.881 -2.294 100 HB2 GLN 14 HB2 GLN 14 3.459 -10.609 -1.610 101 HB3 GLN 14 HB3 GLN 14 2.238 -10.396 -2.865 102 HG2 GLN 14 HG2 GLN 14 3.717 -8.963 -4.149 103 HG3 GLN 14 HG3 GLN 14 4.907 -8.923 -2.838 104 HE21 GLN 14 HE21 GLN 14 6.111 -9.599 -4.996 105 HE22 GLN 14 HE22 GLN 14 6.367 -11.328 -5.140 106 H ARG 15 H ARG 15 1.921 -10.025 0.563 107 HA ARG 15 HA ARG 15 -0.848 -10.562 0.095 108 HB2 ARG 15 HB2 ARG 15 0.839 -10.475 2.632 109 HB3 ARG 15 HB3 ARG 15 -0.845 -10.958 2.642 110 HG2 ARG 15 HG2 ARG 15 1.319 -12.389 1.057 111 HG3 ARG 15 HG3 ARG 15 0.779 -12.837 2.678 112 HD2 ARG 15 HD2 ARG 15 -1.490 -13.274 1.822 113 HD3 ARG 15 HD3 ARG 15 -0.965 -12.807 0.186 114 HE ARG 15 HE ARG 15 0.765 -14.812 1.239 115 HH11 ARG 15 HH11 ARG 15 -2.623 -14.521 0.078 116 HH12 ARG 15 HH12 ARG 15 -2.636 -16.060 -0.670 117 HH21 ARG 15 HH21 ARG 15 0.674 -16.931 0.233 118 HH22 ARG 15 HH22 ARG 15 -0.730 -17.411 -0.658 119 H ALA 16 H ALA 16 0.807 -8.024 2.025 120 HA ALA 16 HA ALA 16 -1.507 -6.762 3.041 121 HB1 ALA 16 HB1 ALA 16 -0.027 -4.839 3.398 122 HB2 ALA 16 HB2 ALA 16 0.811 -6.341 3.832 123 HB3 ALA 16 HB3 ALA 16 1.192 -5.520 2.312 124 H ILE 17 H ILE 17 0.432 -5.994 0.141 125 HA ILE 17 HA ILE 17 -1.064 -3.895 -0.910 126 HB ILE 17 HB ILE 17 0.479 -6.116 -2.311 127 HG12 ILE 17 HG12 ILE 17 1.348 -3.228 -2.109 128 HG13 ILE 17 HG13 ILE 17 1.599 -4.298 -0.737 129 HG21 ILE 17 HG21 ILE 17 -1.012 -5.238 -4.008 130 HG22 ILE 17 HG22 ILE 17 -0.629 -3.560 -3.533 131 HG23 ILE 17 HG23 ILE 17 0.598 -4.578 -4.312 132 HD11 ILE 17 HD11 ILE 17 3.556 -4.177 -2.296 133 HD12 ILE 17 HD12 ILE 17 2.937 -5.821 -2.052 134 HD13 ILE 17 HD13 ILE 17 2.568 -5.000 -3.534 135 H GLN 18 H GLN 18 -1.537 -7.400 -1.548 136 HA GLN 18 HA GLN 18 -3.678 -7.187 -3.358 137 HB2 GLN 18 HB2 GLN 18 -2.719 -9.352 -1.497 138 HB3 GLN 18 HB3 GLN 18 -4.148 -9.574 -2.508 139 HG2 GLN 18 HG2 GLN 18 -1.586 -8.516 -3.728 140 HG3 GLN 18 HG3 GLN 18 -1.764 -10.231 -3.419 141 HE21 GLN 18 HE21 GLN 18 -2.108 -7.945 -5.847 142 HE22 GLN 18 HE22 GLN 18 -3.343 -8.779 -6.779 143 H SER 19 H SER 19 -3.797 -7.553 0.240 144 HA SER 19 HA SER 19 -6.680 -7.675 0.266 145 HB2 SER 19 HB2 SER 19 -5.194 -8.501 2.099 146 HB3 SER 19 HB3 SER 19 -4.770 -6.827 2.490 147 HG SER 19 HG SER 19 -7.458 -7.792 2.420 148 H LEU 20 H LEU 20 -4.313 -4.994 0.392 149 HA LEU 20 HA LEU 20 -6.227 -3.019 1.148 150 HB2 LEU 20 HB2 LEU 20 -3.536 -3.088 1.080 151 HB3 LEU 20 HB3 LEU 20 -3.784 -2.250 -0.443 152 HG LEU 20 HG LEU 20 -4.824 -1.425 2.305 153 HD11 LEU 20 HD11 LEU 20 -2.610 -0.297 0.569 154 HD12 LEU 20 HD12 LEU 20 -2.427 -1.206 2.083 155 HD13 LEU 20 HD13 LEU 20 -3.179 0.393 2.113 156 HD21 LEU 20 HD21 LEU 20 -6.441 -0.624 0.743 157 HD22 LEU 20 HD22 LEU 20 -5.177 -0.033 -0.356 158 HD23 LEU 20 HD23 LEU 20 -5.444 0.731 1.238 159 H VAL 21 H VAL 21 -4.757 -3.771 -2.066 160 HA VAL 21 HA VAL 21 -6.344 -1.925 -3.513 161 HB VAL 21 HB VAL 21 -4.243 -2.970 -4.324 162 HG11 VAL 21 HG11 VAL 21 -4.785 -5.316 -3.626 163 HG12 VAL 21 HG12 VAL 21 -5.879 -5.436 -5.014 164 HG13 VAL 21 HG13 VAL 21 -4.143 -5.165 -5.265 165 HG21 VAL 21 HG21 VAL 21 -6.725 -3.059 -6.068 166 HG22 VAL 21 HG22 VAL 21 -5.396 -1.869 -6.026 167 HG23 VAL 21 HG23 VAL 21 -5.140 -3.482 -6.692 168 H HIS 22 H HIS 22 -7.015 -5.342 -2.548 169 HA HIS 22 HA HIS 22 -9.390 -5.466 -4.145 170 HB2 HIS 22 HB2 HIS 22 -8.382 -7.515 -3.404 171 HB3 HIS 22 HB3 HIS 22 -8.505 -7.040 -1.704 172 HD1 HIS 22 HD1 HIS 22 -11.246 -7.081 -4.471 173 HD2 HIS 22 HD2 HIS 22 -10.330 -8.367 -0.577 174 HE1 HIS 22 HE1 HIS 22 -13.429 -7.995 -3.486 175 H ALA 23 H ALA 23 -8.869 -4.719 -0.623 176 HA ALA 23 HA ALA 23 -11.537 -4.318 0.076 177 HB1 ALA 23 HB1 ALA 23 -9.791 -4.459 1.723 178 HB2 ALA 23 HB2 ALA 23 -9.010 -2.981 1.091 179 HB3 ALA 23 HB3 ALA 23 -10.587 -2.881 1.898 180 H ALA 24 H ALA 24 -9.363 -2.168 -1.697 181 HA ALA 24 HA ALA 24 -10.784 0.211 -1.330 182 HB1 ALA 24 HB1 ALA 24 -9.572 1.024 -3.331 183 HB2 ALA 24 HB2 ALA 24 -8.490 0.095 -2.255 184 HB3 ALA 24 HB3 ALA 24 -9.139 -0.645 -3.731 185 H GLN 25 H GLN 25 -11.472 -2.449 -3.494 186 HA GLN 25 HA GLN 25 -13.836 -0.968 -4.553 187 HB2 GLN 25 HB2 GLN 25 -13.593 -2.405 -6.538 188 HB3 GLN 25 HB3 GLN 25 -12.250 -1.281 -6.299 189 HG2 GLN 25 HG2 GLN 25 -10.837 -3.083 -5.422 190 HG3 GLN 25 HG3 GLN 25 -12.186 -4.212 -5.492 191 HE21 GLN 25 HE21 GLN 25 -9.826 -4.943 -6.780 192 HE22 GLN 25 HE22 GLN 25 -9.997 -4.811 -8.510 193 H CYS 26 H CYS 26 -12.952 -3.429 -2.489 194 HA CYS 26 HA CYS 26 -14.679 -5.541 -3.021 195 HB2 CYS 26 HB2 CYS 26 -12.853 -5.566 -1.374 196 HB3 CYS 26 HB3 CYS 26 -13.798 -4.470 -0.338 197 H ARG 27 H ARG 27 -16.705 -5.156 -3.603 198 HA ARG 27 HA ARG 27 -18.543 -3.837 -1.634 199 HB2 ARG 27 HB2 ARG 27 -20.068 -3.343 -3.436 200 HB3 ARG 27 HB3 ARG 27 -18.495 -2.604 -3.713 201 HG2 ARG 27 HG2 ARG 27 -17.938 -4.331 -5.377 202 HG3 ARG 27 HG3 ARG 27 -19.461 -5.174 -5.045 203 HD2 ARG 27 HD2 ARG 27 -20.766 -3.287 -5.826 204 HD3 ARG 27 HD3 ARG 27 -19.327 -2.297 -6.056 205 HE ARG 27 HE ARG 27 -20.456 -4.203 -7.876 206 HH11 ARG 27 HH11 ARG 27 -17.340 -2.719 -6.945 207 HH12 ARG 27 HH12 ARG 27 -16.531 -3.301 -8.366 208 HH21 ARG 27 HH21 ARG 27 -19.366 -4.711 -9.880 209 HH22 ARG 27 HH22 ARG 27 -17.744 -4.136 -10.090 210 H ASN 28 H ASN 28 -17.511 -6.819 -2.631 211 HA ASN 28 HA ASN 28 -20.067 -8.233 -2.750 212 HB2 ASN 28 HB2 ASN 28 -17.168 -9.187 -2.586 213 HB3 ASN 28 HB3 ASN 28 -18.565 -10.269 -2.592 214 HD21 ASN 28 HD21 ASN 28 -16.260 -8.998 -4.710 215 HD22 ASN 28 HD22 ASN 28 -17.275 -8.954 -6.135 216 H ALA 29 H ALA 29 -21.234 -8.426 -0.881 217 HA ALA 29 HA ALA 29 -20.192 -8.048 1.752 218 HB1 ALA 29 HB1 ALA 29 -22.724 -9.463 0.819 219 HB2 ALA 29 HB2 ALA 29 -22.389 -8.915 2.470 220 HB3 ALA 29 HB3 ALA 29 -22.568 -7.724 1.164 221 H ASN 30 H ASN 30 -20.397 -10.846 -0.321 222 HA ASN 30 HA ASN 30 -20.104 -12.879 1.606 223 HB2 ASN 30 HB2 ASN 30 -20.749 -13.241 -0.745 224 HB3 ASN 30 HB3 ASN 30 -19.104 -12.871 -1.271 225 HD21 ASN 30 HD21 ASN 30 -17.986 -14.779 -1.761 226 HD22 ASN 30 HD22 ASN 30 -18.054 -16.207 -0.734 227 H CYS 31 H CYS 31 -17.774 -10.611 0.395 228 HA CYS 31 HA CYS 31 -15.382 -12.173 0.967 229 HB2 CYS 31 HB2 CYS 31 -15.615 -10.006 -0.540 230 HB3 CYS 31 HB3 CYS 31 -15.388 -9.163 0.998 231 H SER 32 H SER 32 -14.886 -12.812 2.945 232 HA SER 32 HA SER 32 -15.251 -11.031 5.263 233 HB2 SER 32 HB2 SER 32 -16.462 -13.821 5.083 234 HB3 SER 32 HB3 SER 32 -16.317 -12.866 6.572 235 HG SER 32 HG SER 32 -17.771 -12.156 4.220 236 H LEU 33 H LEU 33 -13.166 -10.808 5.559 237 HA LEU 33 HA LEU 33 -11.571 -12.998 6.589 238 HB2 LEU 33 HB2 LEU 33 -10.864 -11.331 4.153 239 HB3 LEU 33 HB3 LEU 33 -9.585 -11.801 5.263 240 HG LEU 33 HG LEU 33 -11.447 -13.819 3.939 241 HD11 LEU 33 HD11 LEU 33 -8.667 -12.893 3.112 242 HD12 LEU 33 HD12 LEU 33 -10.179 -12.654 2.218 243 HD13 LEU 33 HD13 LEU 33 -9.537 -14.287 2.428 244 HD21 LEU 33 HD21 LEU 33 -9.677 -15.436 4.548 245 HD22 LEU 33 HD22 LEU 33 -10.350 -14.679 5.987 246 HD23 LEU 33 HD23 LEU 33 -8.766 -14.153 5.368 247 HA PRO 34 HA PRO 34 -11.034 -9.708 9.479 248 HB2 PRO 34 HB2 PRO 34 -8.472 -10.090 10.475 249 HB3 PRO 34 HB3 PRO 34 -9.893 -11.086 10.917 250 HG2 PRO 34 HG2 PRO 34 -7.793 -11.669 8.808 251 HG3 PRO 34 HG3 PRO 34 -8.424 -12.773 10.074 252 HD2 PRO 34 HD2 PRO 34 -9.347 -12.864 7.540 253 HD3 PRO 34 HD3 PRO 34 -10.491 -13.028 8.908 254 H SER 35 H SER 35 -8.282 -10.152 7.201 255 HA SER 35 HA SER 35 -7.246 -7.534 7.341 256 HB2 SER 35 HB2 SER 35 -6.215 -8.342 5.124 257 HB3 SER 35 HB3 SER 35 -5.833 -9.221 6.605 258 HG SER 35 HG SER 35 -7.026 -10.133 4.385 259 H CYS 36 H CYS 36 -9.588 -9.057 5.071 260 HA CYS 36 HA CYS 36 -9.845 -6.808 3.407 261 HB2 CYS 36 HB2 CYS 36 -10.912 -9.284 3.251 262 HB3 CYS 36 HB3 CYS 36 -12.318 -8.467 3.934 263 H GLN 37 H GLN 37 -11.864 -7.668 6.233 264 HA GLN 37 HA GLN 37 -13.525 -5.379 6.158 265 HB2 GLN 37 HB2 GLN 37 -12.704 -7.155 8.463 266 HB3 GLN 37 HB3 GLN 37 -14.008 -5.951 8.537 267 HG2 GLN 37 HG2 GLN 37 -13.925 -8.327 6.627 268 HG3 GLN 37 HG3 GLN 37 -14.828 -8.197 8.118 269 HE21 GLN 37 HE21 GLN 37 -16.634 -6.539 8.190 270 HE22 GLN 37 HE22 GLN 37 -17.359 -5.980 6.706 271 H LYS 38 H LYS 38 -10.594 -5.895 8.152 272 HA LYS 38 HA LYS 38 -10.746 -3.227 9.255 273 HB2 LYS 38 HB2 LYS 38 -8.529 -3.475 10.125 274 HB3 LYS 38 HB3 LYS 38 -9.406 -4.989 10.311 275 HG2 LYS 38 HG2 LYS 38 -8.246 -5.603 8.038 276 HG3 LYS 38 HG3 LYS 38 -7.125 -4.318 8.434 277 HD2 LYS 38 HD2 LYS 38 -7.771 -6.798 10.097 278 HD3 LYS 38 HD3 LYS 38 -6.363 -6.611 9.061 279 HE2 LYS 38 HE2 LYS 38 -5.426 -4.902 10.462 280 HE3 LYS 38 HE3 LYS 38 -6.884 -4.860 11.472 281 HZ1 LYS 38 HZ1 LYS 38 -5.174 -7.243 11.129 282 HZ2 LYS 38 HZ2 LYS 38 -6.471 -7.104 12.114 283 HZ3 LYS 38 HZ3 LYS 38 -5.108 -6.272 12.445 284 H MET 39 H MET 39 -9.268 -4.392 6.198 285 HA MET 39 HA MET 39 -7.937 -1.996 5.560 286 HB2 MET 39 HB2 MET 39 -8.892 -4.321 3.877 287 HB3 MET 39 HB3 MET 39 -8.101 -2.905 3.190 288 HG2 MET 39 HG2 MET 39 -6.840 -4.658 5.301 289 HG3 MET 39 HG3 MET 39 -6.561 -4.765 3.564 290 HE1 MET 39 HE1 MET 39 -4.334 -4.368 3.058 291 HE2 MET 39 HE2 MET 39 -3.257 -3.136 3.741 292 HE3 MET 39 HE3 MET 39 -3.764 -4.513 4.742 293 H LYS 40 H LYS 40 -11.373 -2.935 5.173 294 HA LYS 40 HA LYS 40 -12.024 -1.075 3.194 295 HB2 LYS 40 HB2 LYS 40 -13.862 -1.513 5.562 296 HB3 LYS 40 HB3 LYS 40 -14.303 -1.070 3.920 297 HG2 LYS 40 HG2 LYS 40 -13.284 -3.744 4.879 298 HG3 LYS 40 HG3 LYS 40 -14.932 -3.350 4.440 299 HD2 LYS 40 HD2 LYS 40 -14.109 -3.001 2.061 300 HD3 LYS 40 HD3 LYS 40 -12.529 -3.538 2.599 301 HE2 LYS 40 HE2 LYS 40 -13.731 -5.373 1.540 302 HE3 LYS 40 HE3 LYS 40 -13.362 -5.746 3.214 303 HZ1 LYS 40 HZ1 LYS 40 -15.712 -6.209 2.268 304 HZ2 LYS 40 HZ2 LYS 40 -15.981 -4.615 2.534 305 HZ3 LYS 40 HZ3 LYS 40 -15.577 -5.637 3.782 306 H ARG 41 H ARG 41 -11.495 -0.485 6.652 307 HA ARG 41 HA ARG 41 -12.415 2.245 6.689 308 HB2 ARG 41 HB2 ARG 41 -10.348 0.807 8.415 309 HB3 ARG 41 HB3 ARG 41 -11.041 2.395 8.776 310 HG2 ARG 41 HG2 ARG 41 -13.257 1.458 9.071 311 HG3 ARG 41 HG3 ARG 41 -12.739 -0.131 8.484 312 HD2 ARG 41 HD2 ARG 41 -12.867 -0.156 10.920 313 HD3 ARG 41 HD3 ARG 41 -11.219 -0.414 10.364 314 HE ARG 41 HE ARG 41 -10.534 1.511 11.346 315 HH11 ARG 41 HH11 ARG 41 -14.093 1.558 11.336 316 HH12 ARG 41 HH12 ARG 41 -14.201 2.799 12.549 317 HH21 ARG 41 HH21 ARG 41 -10.704 3.072 13.002 318 HH22 ARG 41 HH22 ARG 41 -12.234 3.670 13.518 319 H VAL 42 H VAL 42 -9.339 0.772 5.759 320 HA VAL 42 HA VAL 42 -7.669 3.077 5.886 321 HB VAL 42 HB VAL 42 -7.407 0.570 4.182 322 HG11 VAL 42 HG11 VAL 42 -5.001 0.947 4.343 323 HG12 VAL 42 HG12 VAL 42 -5.849 2.206 3.454 324 HG13 VAL 42 HG13 VAL 42 -5.302 2.518 5.124 325 HG21 VAL 42 HG21 VAL 42 -7.689 -0.056 6.572 326 HG22 VAL 42 HG22 VAL 42 -6.023 -0.295 6.061 327 HG23 VAL 42 HG23 VAL 42 -6.464 1.132 7.022 328 H VAL 43 H VAL 43 -9.444 1.504 3.124 329 HA VAL 43 HA VAL 43 -8.808 3.625 1.346 330 HB VAL 43 HB VAL 43 -9.383 1.559 0.393 331 HG11 VAL 43 HG11 VAL 43 -10.802 0.551 2.103 332 HG12 VAL 43 HG12 VAL 43 -12.124 1.690 1.709 333 HG13 VAL 43 HG13 VAL 43 -11.606 0.483 0.548 334 HG21 VAL 43 HG21 VAL 43 -10.082 3.614 -0.811 335 HG22 VAL 43 HG22 VAL 43 -11.094 2.234 -1.244 336 HG23 VAL 43 HG23 VAL 43 -11.716 3.452 -0.145 337 H GLN 44 H GLN 44 -11.694 3.080 3.438 338 HA GLN 44 HA GLN 44 -13.245 5.195 2.573 339 HB2 GLN 44 HB2 GLN 44 -13.836 3.371 4.203 340 HB3 GLN 44 HB3 GLN 44 -12.905 4.224 5.443 341 HG2 GLN 44 HG2 GLN 44 -14.475 6.183 5.178 342 HG3 GLN 44 HG3 GLN 44 -15.376 5.236 3.979 343 HE21 GLN 44 HE21 GLN 44 -14.082 4.824 7.358 344 HE22 GLN 44 HE22 GLN 44 -15.494 3.986 7.949 345 H HIS 45 H HIS 45 -10.529 5.329 4.979 346 HA HIS 45 HA HIS 45 -10.869 8.070 5.675 347 HB2 HIS 45 HB2 HIS 45 -9.462 6.695 7.033 348 HB3 HIS 45 HB3 HIS 45 -8.457 6.218 5.672 349 HD1 HIS 45 HD1 HIS 45 -8.573 8.837 8.385 350 HD2 HIS 45 HD2 HIS 45 -6.891 8.274 4.548 351 HE1 HIS 45 HE1 HIS 45 -6.949 10.733 7.995 352 H THR 46 H THR 46 -8.949 6.515 3.019 353 HA THR 46 HA THR 46 -7.832 8.970 2.101 354 HB THR 46 HB THR 46 -7.112 7.718 0.164 355 HG1 THR 46 HG1 THR 46 -9.037 5.905 0.974 356 HG21 THR 46 HG21 THR 46 -6.751 6.063 2.688 357 HG22 THR 46 HG22 THR 46 -6.055 7.683 2.495 358 HG23 THR 46 HG23 THR 46 -5.566 6.433 1.414 359 H LYS 47 H LYS 47 -11.023 7.717 1.600 360 HA LYS 47 HA LYS 47 -11.601 9.097 -0.869 361 HB2 LYS 47 HB2 LYS 47 -13.490 8.449 1.458 362 HB3 LYS 47 HB3 LYS 47 -13.967 9.043 -0.123 363 HG2 LYS 47 HG2 LYS 47 -12.907 7.009 -1.154 364 HG3 LYS 47 HG3 LYS 47 -12.683 6.346 0.472 365 HD2 LYS 47 HD2 LYS 47 -15.121 6.347 0.838 366 HD3 LYS 47 HD3 LYS 47 -15.356 7.253 -0.665 367 HE2 LYS 47 HE2 LYS 47 -15.903 5.107 -1.314 368 HE3 LYS 47 HE3 LYS 47 -14.247 5.332 -1.898 369 HZ1 LYS 47 HZ1 LYS 47 -13.617 4.120 0.240 370 HZ2 LYS 47 HZ2 LYS 47 -14.292 3.244 -0.967 371 HZ3 LYS 47 HZ3 LYS 47 -15.216 3.657 0.295 372 H GLY 48 H GLY 48 -11.524 10.049 2.541 373 HA2 GLY 48 HA2 GLY 48 -12.419 12.803 1.989 374 HA3 GLY 48 HA3 GLY 48 -12.202 12.018 3.554 375 H CYS 49 H CYS 49 -9.548 11.743 1.167 376 HA CYS 49 HA CYS 49 -8.102 13.817 2.716 377 HB2 CYS 49 HB2 CYS 49 -7.492 11.308 3.228 378 HB3 CYS 49 HB3 CYS 49 -6.588 11.441 1.698 379 H LYS 50 H LYS 50 -8.466 15.351 1.250 380 HA LYS 50 HA LYS 50 -7.376 14.950 -1.523 381 HB2 LYS 50 HB2 LYS 50 -9.252 17.091 -0.474 382 HB3 LYS 50 HB3 LYS 50 -8.719 16.889 -2.151 383 HG2 LYS 50 HG2 LYS 50 -10.448 14.937 -0.561 384 HG3 LYS 50 HG3 LYS 50 -11.012 16.068 -1.793 385 HD2 LYS 50 HD2 LYS 50 -9.693 14.890 -3.506 386 HD3 LYS 50 HD3 LYS 50 -9.080 13.763 -2.272 387 HE2 LYS 50 HE2 LYS 50 -11.395 13.043 -1.759 388 HE3 LYS 50 HE3 LYS 50 -12.007 14.149 -3.004 389 HZ1 LYS 50 HZ1 LYS 50 -10.164 11.907 -3.492 390 HZ2 LYS 50 HZ2 LYS 50 -10.761 12.924 -4.636 391 HZ3 LYS 50 HZ3 LYS 50 -11.795 11.903 -3.829 392 H ARG 51 H ARG 51 -6.926 16.603 1.495 393 HA ARG 51 HA ARG 51 -5.148 18.613 0.734 394 HB2 ARG 51 HB2 ARG 51 -4.480 18.610 3.118 395 HB3 ARG 51 HB3 ARG 51 -6.220 18.525 2.895 396 HG2 ARG 51 HG2 ARG 51 -5.998 15.964 3.236 397 HG3 ARG 51 HG3 ARG 51 -4.364 16.304 3.808 398 HD2 ARG 51 HD2 ARG 51 -6.926 17.503 4.932 399 HD3 ARG 51 HD3 ARG 51 -6.116 16.103 5.611 400 HE ARG 51 HE ARG 51 -5.402 18.917 5.839 401 HH11 ARG 51 HH11 ARG 51 -4.574 15.590 6.664 402 HH12 ARG 51 HH12 ARG 51 -3.410 16.037 7.844 403 HH21 ARG 51 HH21 ARG 51 -3.586 19.515 7.102 404 HH22 ARG 51 HH22 ARG 51 -2.697 18.314 7.996 405 H LYS 52 H LYS 52 -4.627 15.259 0.643 406 HA LYS 52 HA LYS 52 -1.925 14.931 1.182 407 HB2 LYS 52 HB2 LYS 52 -2.055 12.900 -0.113 408 HB3 LYS 52 HB3 LYS 52 -3.513 13.101 0.866 409 HG2 LYS 52 HG2 LYS 52 -4.691 14.000 -1.187 410 HG3 LYS 52 HG3 LYS 52 -3.232 13.634 -2.132 411 HD2 LYS 52 HD2 LYS 52 -3.418 11.242 -1.365 412 HD3 LYS 52 HD3 LYS 52 -4.946 11.642 -0.575 413 HE2 LYS 52 HE2 LYS 52 -4.284 11.725 -3.551 414 HE3 LYS 52 HE3 LYS 52 -5.381 10.609 -2.724 415 HZ1 LYS 52 HZ1 LYS 52 -5.819 13.504 -3.113 416 HZ2 LYS 52 HZ2 LYS 52 -6.836 12.479 -2.274 417 HZ3 LYS 52 HZ3 LYS 52 -6.550 12.271 -3.894 418 H THR 53 H THR 53 -3.194 16.710 -1.551 419 HA THR 53 HA THR 53 -0.959 16.287 -3.282 420 HB THR 53 HB THR 53 -3.141 17.158 -3.992 421 HG1 THR 53 HG1 THR 53 -1.168 17.794 -5.155 422 HG21 THR 53 HG21 THR 53 -2.389 19.667 -2.449 423 HG22 THR 53 HG22 THR 53 -3.784 18.606 -2.135 424 HG23 THR 53 HG23 THR 53 -3.691 19.566 -3.623 425 H ASN 54 H ASN 54 -1.325 18.115 -0.304 426 HA ASN 54 HA ASN 54 1.360 19.369 -0.695 427 HB2 ASN 54 HB2 ASN 54 -0.960 20.277 1.065 428 HB3 ASN 54 HB3 ASN 54 0.624 21.056 0.935 429 HD21 ASN 54 HD21 ASN 54 1.255 21.514 -1.469 430 HD22 ASN 54 HD22 ASN 54 -0.021 22.006 -2.572 431 H GLY 55 H GLY 55 -0.872 18.130 1.889 432 HA2 GLY 55 HA2 GLY 55 1.277 16.540 3.096 433 HA3 GLY 55 HA3 GLY 55 0.746 17.953 4.026 434 H GLY 56 H GLY 56 -0.008 14.753 2.990 435 HA2 GLY 56 HA2 GLY 56 -2.824 14.800 3.865 436 HA3 GLY 56 HA3 GLY 56 -2.006 13.548 2.921 437 H CYS 57 H CYS 57 -3.503 12.850 4.999 438 HA CYS 57 HA CYS 57 -2.345 12.628 7.553 439 HB2 CYS 57 HB2 CYS 57 -4.101 10.551 6.249 440 HB3 CYS 57 HB3 CYS 57 -4.038 11.019 7.933 441 HA PRO 58 HA PRO 58 0.900 9.683 6.862 442 HB2 PRO 58 HB2 PRO 58 0.805 7.956 9.021 443 HB3 PRO 58 HB3 PRO 58 1.404 9.623 9.087 444 HG2 PRO 58 HG2 PRO 58 -1.377 8.693 9.827 445 HG3 PRO 58 HG3 PRO 58 -0.270 9.777 10.732 446 HD2 PRO 58 HD2 PRO 58 -2.240 10.769 9.185 447 HD3 PRO 58 HD3 PRO 58 -0.629 11.545 9.209 448 H ILE 59 H ILE 59 -2.212 8.157 7.650 449 HA ILE 59 HA ILE 59 -1.909 5.669 6.512 450 HB ILE 59 HB ILE 59 -4.360 7.484 6.654 451 HG12 ILE 59 HG12 ILE 59 -3.342 5.269 8.480 452 HG13 ILE 59 HG13 ILE 59 -3.312 6.998 8.817 453 HG21 ILE 59 HG21 ILE 59 -5.731 5.360 6.462 454 HG22 ILE 59 HG22 ILE 59 -4.902 5.836 5.008 455 HG23 ILE 59 HG23 ILE 59 -4.248 4.504 5.996 456 HD11 ILE 59 HD11 ILE 59 -5.087 6.068 10.074 457 HD12 ILE 59 HD12 ILE 59 -5.809 7.037 8.770 458 HD13 ILE 59 HD13 ILE 59 -5.779 5.255 8.672 459 H CYS 60 H CYS 60 -2.677 8.750 4.855 460 HA CYS 60 HA CYS 60 -3.157 7.622 2.268 461 HB2 CYS 60 HB2 CYS 60 -2.435 10.472 3.079 462 HB3 CYS 60 HB3 CYS 60 -3.266 9.963 1.612 463 H LYS 61 H LYS 61 -0.298 8.869 3.963 464 HA LYS 61 HA LYS 61 1.370 9.154 1.569 465 HB2 LYS 61 HB2 LYS 61 1.855 10.361 3.696 466 HB3 LYS 61 HB3 LYS 61 2.225 8.820 4.490 467 HG2 LYS 61 HG2 LYS 61 4.092 8.418 2.932 468 HG3 LYS 61 HG3 LYS 61 3.626 9.833 1.983 469 HD2 LYS 61 HD2 LYS 61 5.517 10.445 3.258 470 HD3 LYS 61 HD3 LYS 61 4.133 11.285 3.954 471 HE2 LYS 61 HE2 LYS 61 4.050 9.592 5.777 472 HE3 LYS 61 HE3 LYS 61 5.423 8.735 5.052 473 HZ1 LYS 61 HZ1 LYS 61 6.063 10.309 6.867 474 HZ2 LYS 61 HZ2 LYS 61 5.530 11.552 5.946 475 HZ3 LYS 61 HZ3 LYS 61 6.799 10.660 5.461 476 H GLN 62 H GLN 62 1.077 6.694 4.166 477 HA GLN 62 HA GLN 62 2.878 4.867 2.902 478 HB2 GLN 62 HB2 GLN 62 0.586 4.194 4.793 479 HB3 GLN 62 HB3 GLN 62 1.989 3.216 4.398 480 HG2 GLN 62 HG2 GLN 62 1.802 5.645 6.156 481 HG3 GLN 62 HG3 GLN 62 2.431 4.071 6.548 482 HE21 GLN 62 HE21 GLN 62 3.653 6.714 6.949 483 HE22 GLN 62 HE22 GLN 62 5.218 6.524 6.239 484 H LEU 63 H LEU 63 -0.608 5.419 2.426 485 HA LEU 63 HA LEU 63 -1.228 3.006 1.212 486 HB2 LEU 63 HB2 LEU 63 -2.844 4.888 1.648 487 HB3 LEU 63 HB3 LEU 63 -2.210 5.753 0.268 488 HG LEU 63 HG LEU 63 -2.945 4.024 -1.279 489 HD11 LEU 63 HD11 LEU 63 -3.801 2.494 1.214 490 HD12 LEU 63 HD12 LEU 63 -2.620 1.967 -0.002 491 HD13 LEU 63 HD13 LEU 63 -4.318 2.090 -0.451 492 HD21 LEU 63 HD21 LEU 63 -5.267 4.421 0.633 493 HD22 LEU 63 HD22 LEU 63 -5.292 4.269 -1.138 494 HD23 LEU 63 HD23 LEU 63 -4.633 5.724 -0.391 495 H ILE 64 H ILE 64 0.115 5.907 -0.288 496 HA ILE 64 HA ILE 64 0.213 4.984 -2.964 497 HB ILE 64 HB ILE 64 1.605 7.159 -1.373 498 HG12 ILE 64 HG12 ILE 64 -0.510 7.222 -3.590 499 HG13 ILE 64 HG13 ILE 64 -0.851 7.188 -1.846 500 HG21 ILE 64 HG21 ILE 64 3.158 6.568 -3.190 501 HG22 ILE 64 HG22 ILE 64 1.852 6.710 -4.365 502 HG23 ILE 64 HG23 ILE 64 2.402 8.146 -3.469 503 HD11 ILE 64 HD11 ILE 64 -1.163 9.381 -2.563 504 HD12 ILE 64 HD12 ILE 64 0.260 9.307 -1.510 505 HD13 ILE 64 HD13 ILE 64 0.467 9.466 -3.277 506 H ALA 65 H ALA 65 2.424 4.481 -0.223 507 HA ALA 65 HA ALA 65 4.659 3.592 -1.768 508 HB1 ALA 65 HB1 ALA 65 3.956 2.626 1.040 509 HB2 ALA 65 HB2 ALA 65 5.550 2.823 0.287 510 HB3 ALA 65 HB3 ALA 65 4.588 4.251 0.707 511 H LEU 66 H LEU 66 1.983 1.781 -0.180 512 HA LEU 66 HA LEU 66 2.934 -0.737 -1.301 513 HB2 LEU 66 HB2 LEU 66 0.325 -0.007 0.074 514 HB3 LEU 66 HB3 LEU 66 0.595 -1.569 -0.672 515 HG LEU 66 HG LEU 66 1.918 -0.414 1.771 516 HD11 LEU 66 HD11 LEU 66 -0.164 -1.792 1.943 517 HD12 LEU 66 HD12 LEU 66 1.209 -2.556 2.750 518 HD13 LEU 66 HD13 LEU 66 0.675 -3.141 1.167 519 HD21 LEU 66 HD21 LEU 66 3.021 -2.738 0.133 520 HD22 LEU 66 HD22 LEU 66 3.429 -2.432 1.832 521 HD23 LEU 66 HD23 LEU 66 3.870 -1.244 0.602 522 H ALA 67 H ALA 67 0.349 1.608 -2.192 523 HA ALA 67 HA ALA 67 -0.818 0.158 -4.265 524 HB1 ALA 67 HB1 ALA 67 -1.796 2.222 -3.399 525 HB2 ALA 67 HB2 ALA 67 -0.436 3.165 -4.035 526 HB3 ALA 67 HB3 ALA 67 -1.550 2.368 -5.158 527 H ALA 68 H ALA 68 2.253 1.988 -4.373 528 HA ALA 68 HA ALA 68 2.604 2.086 -7.161 529 HB1 ALA 68 HB1 ALA 68 5.003 2.259 -6.614 530 HB2 ALA 68 HB2 ALA 68 4.046 3.203 -5.456 531 HB3 ALA 68 HB3 ALA 68 4.705 1.624 -4.982 532 H TYR 69 H TYR 69 3.097 -0.578 -4.884 533 HA TYR 69 HA TYR 69 4.463 -2.330 -6.799 534 HB2 TYR 69 HB2 TYR 69 3.022 -2.915 -4.214 535 HB3 TYR 69 HB3 TYR 69 3.828 -4.147 -5.188 536 HD1 TYR 69 HD1 TYR 69 4.474 -0.965 -3.357 537 HD2 TYR 69 HD2 TYR 69 6.051 -4.729 -4.705 538 HE1 TYR 69 HE1 TYR 69 6.651 -0.392 -2.334 539 HE2 TYR 69 HE2 TYR 69 8.223 -4.213 -3.632 540 HH TYR 69 HH TYR 69 8.815 -1.104 -1.976 541 H HIS 70 H HIS 70 1.049 -1.714 -5.879 542 HA HIS 70 HA HIS 70 0.062 -4.052 -7.300 543 HB2 HIS 70 HB2 HIS 70 -1.509 -3.337 -5.760 544 HB3 HIS 70 HB3 HIS 70 -1.181 -1.629 -6.030 545 HD1 HIS 70 HD1 HIS 70 -2.817 -4.547 -8.094 546 HD2 HIS 70 HD2 HIS 70 -2.761 -0.363 -7.593 547 HE1 HIS 70 HE1 HIS 70 -4.553 -3.625 -9.665 548 H ALA 71 H ALA 71 0.571 -0.587 -8.000 549 HA ALA 71 HA ALA 71 -0.509 -0.393 -10.500 550 HB1 ALA 71 HB1 ALA 71 1.034 1.531 -10.800 551 HB2 ALA 71 HB2 ALA 71 0.333 1.505 -9.170 552 HB3 ALA 71 HB3 ALA 71 2.008 0.980 -9.458 553 H LYS 72 H LYS 72 2.930 -1.366 -9.899 554 HA LYS 72 HA LYS 72 3.361 -1.760 -12.702 555 HB2 LYS 72 HB2 LYS 72 5.411 -2.850 -12.153 556 HB3 LYS 72 HB3 LYS 72 5.223 -1.415 -11.155 557 HG2 LYS 72 HG2 LYS 72 4.860 -2.660 -9.188 558 HG3 LYS 72 HG3 LYS 72 4.411 -4.122 -10.038 559 HD2 LYS 72 HD2 LYS 72 6.502 -4.862 -10.235 560 HD3 LYS 72 HD3 LYS 72 7.148 -3.309 -10.758 561 HE2 LYS 72 HE2 LYS 72 6.479 -3.942 -7.865 562 HE3 LYS 72 HE3 LYS 72 8.063 -4.256 -8.592 563 HZ1 LYS 72 HZ1 LYS 72 8.015 -2.109 -7.491 564 HZ2 LYS 72 HZ2 LYS 72 6.783 -1.590 -8.434 565 HZ3 LYS 72 HZ3 LYS 72 8.197 -1.868 -9.129 566 H HIS 73 H HIS 73 1.357 -3.688 -10.767 567 HA HIS 73 HA HIS 73 1.713 -6.026 -12.578 568 HB2 HIS 73 HB2 HIS 73 1.086 -5.997 -9.601 569 HB3 HIS 73 HB3 HIS 73 1.055 -7.425 -10.632 570 HD1 HIS 73 HD1 HIS 73 2.955 -7.155 -8.053 571 HD2 HIS 73 HD2 HIS 73 3.943 -6.675 -12.121 572 HE1 HIS 73 HE1 HIS 73 5.356 -7.839 -8.272 573 H CYS 74 H CYS 74 -0.211 -3.506 -12.394 574 HA CYS 74 HA CYS 74 -2.770 -4.748 -11.802 575 HB2 CYS 74 HB2 CYS 74 -2.079 -2.255 -11.604 576 HB3 CYS 74 HB3 CYS 74 -2.433 -2.182 -13.343 577 H GLN 75 H GLN 75 -4.441 -4.566 -13.390 578 HA GLN 75 HA GLN 75 -4.240 -6.472 -15.469 579 HB2 GLN 75 HB2 GLN 75 -6.308 -4.248 -15.107 580 HB3 GLN 75 HB3 GLN 75 -6.528 -5.685 -16.094 581 HG2 GLN 75 HG2 GLN 75 -6.640 -7.095 -14.126 582 HG3 GLN 75 HG3 GLN 75 -6.100 -5.769 -13.085 583 HE21 GLN 75 HE21 GLN 75 -8.918 -7.235 -14.546 584 HE22 GLN 75 HE22 GLN 75 -10.047 -6.021 -13.980 585 H GLU 76 H GLU 76 -4.647 -2.951 -15.658 586 HA GLU 76 HA GLU 76 -3.245 -2.629 -18.185 587 HB2 GLU 76 HB2 GLU 76 -6.107 -1.656 -17.785 588 HB3 GLU 76 HB3 GLU 76 -5.116 -1.502 -19.237 589 HG2 GLU 76 HG2 GLU 76 -5.249 -4.045 -19.439 590 HG3 GLU 76 HG3 GLU 76 -6.447 -4.013 -18.134 591 H ASN 77 H ASN 77 -3.593 0.000 -18.553 592 HA ASN 77 HA ASN 77 -2.785 1.241 -16.026 593 HB2 ASN 77 HB2 ASN 77 -2.815 2.046 -18.886 594 HB3 ASN 77 HB3 ASN 77 -3.110 3.359 -17.747 595 HD21 ASN 77 HD21 ASN 77 -1.503 3.785 -16.036 596 HD22 ASN 77 HD22 ASN 77 0.138 3.171 -16.234 597 H LYS 78 H LYS 78 -5.825 0.535 -17.316 598 HA LYS 78 HA LYS 78 -7.133 2.892 -16.104 599 HB2 LYS 78 HB2 LYS 78 -9.143 2.144 -17.200 600 HB3 LYS 78 HB3 LYS 78 -7.823 2.328 -18.322 601 HG2 LYS 78 HG2 LYS 78 -7.548 -0.089 -18.525 602 HG3 LYS 78 HG3 LYS 78 -8.726 -0.374 -17.238 603 HD2 LYS 78 HD2 LYS 78 -9.876 -0.776 -19.281 604 HD3 LYS 78 HD3 LYS 78 -10.467 0.783 -18.686 605 HE2 LYS 78 HE2 LYS 78 -8.768 1.883 -20.209 606 HE3 LYS 78 HE3 LYS 78 -8.361 0.284 -20.847 607 HZ1 LYS 78 HZ1 LYS 78 -11.027 1.566 -21.032 608 HZ2 LYS 78 HZ2 LYS 78 -10.605 0.082 -21.645 609 HZ3 LYS 78 HZ3 LYS 78 -9.919 1.460 -22.229 610 H CYS 79 H CYS 79 -5.857 1.643 -14.165 611 HA CYS 79 HA CYS 79 -6.886 -0.482 -12.806 612 HB2 CYS 79 HB2 CYS 79 -5.829 2.119 -11.615 613 HB3 CYS 79 HB3 CYS 79 -5.815 0.539 -10.838 614 HA PRO 80 HA PRO 80 -10.725 1.071 -11.061 615 HB2 PRO 80 HB2 PRO 80 -11.264 -0.837 -9.197 616 HB3 PRO 80 HB3 PRO 80 -11.266 -1.189 -10.952 617 HG2 PRO 80 HG2 PRO 80 -9.035 -1.693 -8.964 618 HG3 PRO 80 HG3 PRO 80 -9.722 -2.827 -10.171 619 HD2 PRO 80 HD2 PRO 80 -7.460 -1.367 -10.667 620 HD3 PRO 80 HD3 PRO 80 -8.647 -1.744 -11.953 621 H VAL 81 H VAL 81 -7.786 1.048 -9.302 622 HA VAL 81 HA VAL 81 -9.012 2.222 -6.892 623 HB VAL 81 HB VAL 81 -6.218 1.134 -7.319 624 HG11 VAL 81 HG11 VAL 81 -5.989 1.351 -4.874 625 HG12 VAL 81 HG12 VAL 81 -6.218 2.930 -5.623 626 HG13 VAL 81 HG13 VAL 81 -7.574 2.139 -4.773 627 HG21 VAL 81 HG21 VAL 81 -7.154 -0.558 -5.577 628 HG22 VAL 81 HG22 VAL 81 -8.753 0.036 -6.031 629 HG23 VAL 81 HG23 VAL 81 -7.704 -0.725 -7.249 630 HA PRO 82 HA PRO 82 -7.925 6.163 -8.689 631 HB2 PRO 82 HB2 PRO 82 -8.144 7.720 -6.363 632 HB3 PRO 82 HB3 PRO 82 -9.491 7.258 -7.434 633 HG2 PRO 82 HG2 PRO 82 -8.637 6.080 -4.808 634 HG3 PRO 82 HG3 PRO 82 -10.286 6.261 -5.458 635 HD2 PRO 82 HD2 PRO 82 -8.849 3.913 -5.454 636 HD3 PRO 82 HD3 PRO 82 -10.114 4.259 -6.650 637 H PHE 83 H PHE 83 -6.368 4.938 -5.768 638 HA PHE 83 HA PHE 83 -4.169 6.835 -5.833 639 HB2 PHE 83 HB2 PHE 83 -4.922 4.422 -4.190 640 HB3 PHE 83 HB3 PHE 83 -3.248 4.942 -4.223 641 HD1 PHE 83 HD1 PHE 83 -6.665 6.639 -3.880 642 HD2 PHE 83 HD2 PHE 83 -2.574 6.357 -2.618 643 HE1 PHE 83 HE1 PHE 83 -7.060 8.427 -2.230 644 HE2 PHE 83 HE2 PHE 83 -2.947 8.204 -0.971 645 HZ PHE 83 HZ PHE 83 -5.197 9.208 -0.751 646 H CYS 84 H CYS 84 -4.787 3.628 -7.273 647 HA CYS 84 HA CYS 84 -2.083 2.959 -7.840 648 HB2 CYS 84 HB2 CYS 84 -4.052 1.408 -8.000 649 HB3 CYS 84 HB3 CYS 84 -4.622 2.302 -9.426 650 H LEU 85 H LEU 85 -4.591 4.509 -9.866 651 HA LEU 85 HA LEU 85 -2.785 5.240 -11.932 652 HB2 LEU 85 HB2 LEU 85 -4.549 6.640 -12.853 653 HB3 LEU 85 HB3 LEU 85 -5.027 5.006 -12.464 654 HG LEU 85 HG LEU 85 -6.015 5.996 -10.263 655 HD11 LEU 85 HD11 LEU 85 -5.127 8.304 -10.454 656 HD12 LEU 85 HD12 LEU 85 -6.881 8.296 -10.562 657 HD13 LEU 85 HD13 LEU 85 -5.902 8.479 -12.041 658 HD21 LEU 85 HD21 LEU 85 -7.321 4.971 -12.046 659 HD22 LEU 85 HD22 LEU 85 -7.234 6.461 -13.006 660 HD23 LEU 85 HD23 LEU 85 -8.140 6.427 -11.472 661 H ASN 86 H ASN 86 -3.522 6.894 -8.926 662 HA ASN 86 HA ASN 86 -2.436 9.450 -9.578 663 HB2 ASN 86 HB2 ASN 86 -3.727 8.722 -7.444 664 HB3 ASN 86 HB3 ASN 86 -2.190 8.008 -6.913 665 HD21 ASN 86 HD21 ASN 86 -3.156 11.271 -8.377 666 HD22 ASN 86 HD22 ASN 86 -2.346 12.118 -7.092 667 H ILE 87 H ILE 87 -0.760 6.469 -8.536 668 HA ILE 87 HA ILE 87 1.807 7.677 -8.206 669 HB ILE 87 HB ILE 87 0.824 4.870 -8.823 670 HG12 ILE 87 HG12 ILE 87 2.567 4.511 -6.820 671 HG13 ILE 87 HG13 ILE 87 2.306 6.218 -6.548 672 HG21 ILE 87 HG21 ILE 87 3.073 3.990 -8.889 673 HG22 ILE 87 HG22 ILE 87 2.762 5.007 -10.273 674 HG23 ILE 87 HG23 ILE 87 3.743 5.642 -8.921 675 HD11 ILE 87 HD11 ILE 87 -0.041 5.801 -6.087 676 HD12 ILE 87 HD12 ILE 87 0.081 4.121 -6.706 677 HD13 ILE 87 HD13 ILE 87 0.903 4.579 -5.219 678 H LYS 88 H LYS 88 0.173 6.283 -11.111 679 HA LYS 88 HA LYS 88 2.353 6.888 -12.878 680 HB2 LYS 88 HB2 LYS 88 -0.589 6.396 -13.522 681 HB3 LYS 88 HB3 LYS 88 0.696 6.568 -14.696 682 HG2 LYS 88 HG2 LYS 88 0.622 4.361 -14.628 683 HG3 LYS 88 HG3 LYS 88 1.872 4.588 -13.410 684 HD2 LYS 88 HD2 LYS 88 0.314 4.047 -11.640 685 HD3 LYS 88 HD3 LYS 88 -1.073 4.299 -12.725 686 HE2 LYS 88 HE2 LYS 88 -0.073 2.385 -14.156 687 HE3 LYS 88 HE3 LYS 88 0.889 1.991 -12.740 688 HZ1 LYS 88 HZ1 LYS 88 -1.215 1.632 -11.529 689 HZ2 LYS 88 HZ2 LYS 88 -1.208 0.775 -12.956 690 HZ3 LYS 88 HZ3 LYS 88 -2.058 2.135 -12.837 691 H GLN 89 H GLN 89 -0.238 9.014 -11.680 692 HA GLN 89 HA GLN 89 -0.202 10.800 -13.935 693 HB2 GLN 89 HB2 GLN 89 -0.756 11.366 -10.996 694 HB3 GLN 89 HB3 GLN 89 -1.008 12.521 -12.308 695 HG2 GLN 89 HG2 GLN 89 -2.650 11.058 -13.360 696 HG3 GLN 89 HG3 GLN 89 -2.425 9.841 -12.111 697 HE21 GLN 89 HE21 GLN 89 -4.842 11.500 -12.926 698 HE22 GLN 89 HE22 GLN 89 -5.332 12.327 -11.444 699 H LYS 90 H LYS 90 2.032 10.202 -11.416 700 HA LYS 90 HA LYS 90 3.582 12.665 -11.609 701 HB2 LYS 90 HB2 LYS 90 4.266 10.000 -10.321 702 HB3 LYS 90 HB3 LYS 90 5.117 11.522 -10.072 703 HG2 LYS 90 HG2 LYS 90 3.264 12.520 -8.940 704 HG3 LYS 90 HG3 LYS 90 2.147 11.253 -9.469 705 HD2 LYS 90 HD2 LYS 90 3.299 9.576 -8.135 706 HD3 LYS 90 HD3 LYS 90 4.431 10.823 -7.549 707 HE2 LYS 90 HE2 LYS 90 2.405 12.116 -6.737 708 HE3 LYS 90 HE3 LYS 90 1.402 10.726 -7.214 709 HZ1 LYS 90 HZ1 LYS 90 2.151 10.853 -4.822 710 HZ2 LYS 90 HZ2 LYS 90 3.665 10.470 -5.335 711 HZ3 LYS 90 HZ3 LYS 90 2.401 9.413 -5.593 712 H GLY 91 H GLY 91 3.650 12.465 -13.986 713 HA2 GLY 91 HA2 GLY 91 5.530 12.553 -15.507 714 HA3 GLY 91 HA3 GLY 91 6.110 11.017 -14.902 715 H GLY 92 H GLY 92 2.828 10.522 -15.203 716 HA2 GLY 92 HA2 GLY 92 1.428 9.621 -16.696 717 HA3 GLY 92 HA3 GLY 92 2.356 10.360 -17.988 718 H SER 93 H SER 93 4.849 8.717 -17.133 719 HA SER 93 HA SER 93 4.031 6.155 -18.414 720 HB2 SER 93 HB2 SER 93 6.477 6.046 -18.955 721 HB3 SER 93 HB3 SER 93 5.627 7.435 -19.662 722 HG SER 93 HG SER 93 7.675 7.979 -18.655 723 H GLY 94 H GLY 94 5.093 7.375 -15.320 724 HA2 GLY 94 HA2 GLY 94 5.609 6.263 -13.354 725 HA3 GLY 94 HA3 GLY 94 4.990 4.769 -14.091 726 H GLY 95 H GLY 95 7.554 6.718 -15.568 727 HA2 GLY 95 HA2 GLY 95 9.807 6.393 -15.832 728 HA3 GLY 95 HA3 GLY 95 9.760 5.110 -14.614 729 H GLY 96 H GLY 96 7.439 3.916 -16.472 730 HA2 GLY 96 HA2 GLY 96 7.269 2.636 -18.412 731 HA3 GLY 96 HA3 GLY 96 8.940 2.997 -18.831 732 H THR 97 H THR 97 9.923 2.161 -16.107 733 HA THR 97 HA THR 97 10.932 0.351 -15.216 734 HB THR 97 HB THR 97 8.284 -1.090 -15.460 735 HG1 THR 97 HG1 THR 97 8.760 0.948 -13.546 736 HG21 THR 97 HG21 THR 97 10.026 -2.219 -14.101 737 HG22 THR 97 HG22 THR 97 8.699 -1.657 -13.087 738 HG23 THR 97 HG23 THR 97 10.235 -0.756 -13.127 739 H GLY 98 H GLY 98 11.150 0.411 -18.178 740 HA2 GLY 98 HA2 GLY 98 12.710 -1.276 -19.151 741 HA3 GLY 98 HA3 GLY 98 11.503 -2.502 -18.760 742 H GLY 99 H GLY 99 9.743 0.181 -19.634 743 HA2 GLY 99 HA2 GLY 99 8.677 0.905 -21.493 744 HA3 GLY 99 HA3 GLY 99 9.952 0.193 -22.480 745 H GLY 100 H GLY 100 9.322 -2.541 -21.284 746 HA2 GLY 100 HA2 GLY 100 7.417 -4.047 -21.257 747 HA3 GLY 100 HA3 GLY 100 6.674 -3.112 -22.555 748 H SER 101 H SER 101 9.859 -3.213 -23.473 749 HA SER 101 HA SER 101 9.956 -5.917 -24.608 750 HB2 SER 101 HB2 SER 101 8.744 -4.730 -26.381 751 HB3 SER 101 HB3 SER 101 9.818 -3.333 -26.234 752 HG SER 101 HG SER 101 10.379 -5.887 -27.362 753 H GLY 102 H GLY 102 12.085 -6.527 -24.492 754 HA2 GLY 102 HA2 GLY 102 14.367 -6.416 -24.134 755 HA3 GLY 102 HA3 GLY 102 14.333 -4.760 -24.792 756 H THR 103 H THR 103 13.098 -6.543 -21.907 757 HA THR 103 HA THR 103 13.152 -4.181 -20.245 758 HB THR 103 HB THR 103 12.698 -7.093 -19.492 759 HG1 THR 103 HG1 THR 103 10.948 -6.887 -20.580 760 HG21 THR 103 HG21 THR 103 12.026 -4.453 -18.128 761 HG22 THR 103 HG22 THR 103 13.041 -5.781 -17.531 762 HG23 THR 103 HG23 THR 103 11.308 -5.993 -17.657 763 H ILE 104 H ILE 104 15.432 -3.743 -20.784 764 HA ILE 104 HA ILE 104 17.618 -5.356 -19.883 765 HB ILE 104 HB ILE 104 17.395 -2.337 -20.246 766 HG12 ILE 104 HG12 ILE 104 16.848 -3.153 -22.368 767 HG13 ILE 104 HG13 ILE 104 18.540 -2.752 -22.476 768 HG21 ILE 104 HG21 ILE 104 19.449 -3.141 -18.963 769 HG22 ILE 104 HG22 ILE 104 19.974 -3.897 -20.475 770 HG23 ILE 104 HG23 ILE 104 19.706 -2.140 -20.377 771 HD11 ILE 104 HD11 ILE 104 18.121 -4.824 -23.647 772 HD12 ILE 104 HD12 ILE 104 19.107 -5.192 -22.219 773 HD13 ILE 104 HD13 ILE 104 17.365 -5.556 -22.228 774 H GLU 105 H GLU 105 15.848 -2.647 -18.450 775 HA GLU 105 HA GLU 105 16.924 -3.218 -15.741 776 HB2 GLU 105 HB2 GLU 105 16.559 -0.860 -15.239 777 HB3 GLU 105 HB3 GLU 105 17.674 -1.050 -16.592 778 HG2 GLU 105 HG2 GLU 105 15.857 -0.527 -18.199 779 HG3 GLU 105 HG3 GLU 105 14.710 -0.374 -16.866 780 H GLY 106 H GLY 106 14.936 -1.789 -14.292 781 HA2 GLY 106 HA2 GLY 106 12.500 -1.720 -14.209 782 HA3 GLY 106 HA3 GLY 106 12.441 -3.308 -14.960 783 H ARG 107 H ARG 107 14.986 -3.762 -13.049 784 HA ARG 107 HA ARG 107 13.507 -4.336 -10.543 785 HB2 ARG 107 HB2 ARG 107 13.809 -6.348 -12.060 786 HB3 ARG 107 HB3 ARG 107 15.557 -6.192 -11.843 787 HG2 ARG 107 HG2 ARG 107 15.376 -6.719 -9.490 788 HG3 ARG 107 HG3 ARG 107 13.642 -6.429 -9.492 789 HD2 ARG 107 HD2 ARG 107 14.040 -8.798 -9.363 790 HD3 ARG 107 HD3 ARG 107 13.317 -8.440 -10.926 791 HE ARG 107 HE ARG 107 16.231 -8.862 -10.405 792 HH11 ARG 107 HH11 ARG 107 13.547 -9.062 -12.745 793 HH12 ARG 107 HH12 ARG 107 14.587 -9.613 -14.027 794 HH21 ARG 107 HH21 ARG 107 17.431 -10.056 -11.925 795 HH22 ARG 107 HH22 ARG 107 16.818 -10.342 -13.502 796 H GLY 108 H GLY 108 15.500 -4.935 -8.800 797 HA2 GLY 108 HA2 GLY 108 17.461 -4.238 -7.817 798 HA3 GLY 108 HA3 GLY 108 17.809 -3.190 -9.215 799 H ASP 109 H ASP 109 15.241 -3.606 -6.766 800 HA ASP 109 HA ASP 109 14.615 -0.721 -6.747 801 HB2 ASP 109 HB2 ASP 109 12.706 -1.306 -5.449 802 HB3 ASP 109 HB3 ASP 109 12.827 -2.442 -6.788 803 H GLY 110 H GLY 110 17.054 -2.363 -5.305 804 HA2 GLY 110 HA2 GLY 110 18.522 -1.362 -3.756 805 HA3 GLY 110 HA3 GLY 110 17.189 -0.434 -3.055 806 H GLY 111 H GLY 111 15.836 -3.421 -3.313 807 HA2 GLY 111 HA2 GLY 111 15.944 -5.409 -2.005 808 HA3 GLY 111 HA3 GLY 111 17.167 -4.678 -0.970 809 H THR 112 H THR 112 14.045 -3.296 -2.027 810 HA THR 112 HA THR 112 12.446 -2.258 -0.937 811 HB THR 112 HB THR 112 11.140 -3.645 0.616 812 HG1 THR 112 HG1 THR 112 11.990 -5.144 1.523 813 HG21 THR 112 HG21 THR 112 11.991 -4.873 -2.013 814 HG22 THR 112 HG22 THR 112 10.662 -3.728 -1.715 815 HG23 THR 112 HG23 THR 112 10.570 -5.375 -1.069 816 H THR 113 H THR 113 14.971 -1.379 -0.016 817 HA THR 113 HA THR 113 15.173 -1.018 2.702 818 HB THR 113 HB THR 113 15.760 1.127 0.636 819 HG1 THR 113 HG1 THR 113 17.196 -1.248 1.250 820 HG21 THR 113 HG21 THR 113 17.737 1.589 2.031 821 HG22 THR 113 HG22 THR 113 17.242 0.325 3.180 822 HG23 THR 113 HG23 THR 113 16.255 1.788 2.971 823 H PHE 114 H PHE 114 12.921 0.555 0.515 824 HA PHE 114 HA PHE 114 11.994 2.719 1.919 825 HB2 PHE 114 HB2 PHE 114 10.292 2.812 0.437 826 HB3 PHE 114 HB3 PHE 114 11.323 1.698 -0.440 827 HD1 PHE 114 HD1 PHE 114 8.038 2.309 0.727 828 HD2 PHE 114 HD2 PHE 114 10.845 -0.925 0.228 829 HE1 PHE 114 HE1 PHE 114 6.176 0.660 0.805 830 HE2 PHE 114 HE2 PHE 114 8.991 -2.567 0.384 831 HZ PHE 114 HZ PHE 114 6.656 -1.784 0.635 832 H GLU 115 H GLU 115 11.577 -0.636 2.797 833 HA GLU 115 HA GLU 115 9.217 -0.535 4.306 834 HB2 GLU 115 HB2 GLU 115 11.765 -2.164 4.566 835 HB3 GLU 115 HB3 GLU 115 10.354 -2.405 5.602 836 HG2 GLU 115 HG2 GLU 115 8.946 -2.943 3.681 837 HG3 GLU 115 HG3 GLU 115 10.260 -2.623 2.564 838 H HIS 116 H HIS 116 12.400 0.878 4.942 839 HA HIS 116 HA HIS 116 12.226 1.060 7.747 840 HB2 HIS 116 HB2 HIS 116 13.979 2.499 7.694 841 HB3 HIS 116 HB3 HIS 116 14.201 1.708 6.142 842 HD1 HIS 116 HD1 HIS 116 13.348 5.073 7.727 843 HD2 HIS 116 HD2 HIS 116 13.615 3.291 3.912 844 HE1 HIS 116 HE1 HIS 116 13.392 6.974 6.048 845 H LEU 117 H LEU 117 10.284 2.767 5.339 846 HA LEU 117 HA LEU 117 9.635 5.009 7.042 847 HB2 LEU 117 HB2 LEU 117 8.474 3.854 4.521 848 HB3 LEU 117 HB3 LEU 117 7.475 4.944 5.483 849 HG LEU 117 HG LEU 117 9.639 6.492 5.437 850 HD11 LEU 117 HD11 LEU 117 11.021 6.205 3.453 851 HD12 LEU 117 HD12 LEU 117 10.046 4.807 2.915 852 HD13 LEU 117 HD13 LEU 117 11.048 4.703 4.366 853 HD21 LEU 117 HD21 LEU 117 8.116 6.192 2.835 854 HD22 LEU 117 HD22 LEU 117 8.872 7.649 3.492 855 HD23 LEU 117 HD23 LEU 117 7.431 6.976 4.280 856 H TRP 118 H TRP 118 8.667 1.629 7.099 857 HA TRP 118 HA TRP 118 6.195 2.025 8.492 858 HB2 TRP 118 HB2 TRP 118 8.008 -0.393 8.501 859 HB3 TRP 118 HB3 TRP 118 6.314 -0.347 8.955 860 HD1 TRP 118 HD1 TRP 118 8.254 -1.592 6.390 861 HE1 TRP 118 HE1 TRP 118 6.984 -1.873 4.112 862 HE3 TRP 118 HE3 TRP 118 4.281 1.390 7.363 863 HZ2 TRP 118 HZ2 TRP 118 4.698 -0.562 2.786 864 HZ3 TRP 118 HZ3 TRP 118 2.502 1.706 5.712 865 HH2 TRP 118 HH2 TRP 118 2.752 0.863 3.390 866 H SER 119 H SER 119 9.449 2.456 9.355 867 HA SER 119 HA SER 119 9.421 1.973 12.168 868 HB2 SER 119 HB2 SER 119 11.413 2.291 10.602 869 HB3 SER 119 HB3 SER 119 11.101 4.032 10.693 870 HG SER 119 HG SER 119 11.285 3.232 13.189 871 H SER 120 H SER 120 7.241 3.807 10.799 872 HA SER 120 HA SER 120 7.190 6.000 12.784 873 HB2 SER 120 HB2 SER 120 7.864 6.804 10.515 874 HB3 SER 120 HB3 SER 120 6.366 6.124 9.868 875 HG SER 120 HG SER 120 6.245 7.973 11.991 876 H LEU 121 H LEU 121 5.803 3.144 11.564 877 HA LEU 121 HA LEU 121 2.989 3.700 11.782 878 HB2 LEU 121 HB2 LEU 121 3.991 1.968 10.347 879 HB3 LEU 121 HB3 LEU 121 4.639 1.124 11.748 880 HG LEU 121 HG LEU 121 1.661 1.540 11.635 881 HD11 LEU 121 HD11 LEU 121 3.249 -0.483 9.984 882 HD12 LEU 121 HD12 LEU 121 2.166 0.793 9.367 883 HD13 LEU 121 HD13 LEU 121 1.508 -0.570 10.291 884 HD21 LEU 121 HD21 LEU 121 3.413 -0.803 12.531 885 HD22 LEU 121 HD22 LEU 121 1.649 -0.709 12.662 886 HD23 LEU 121 HD23 LEU 121 2.642 0.397 13.611 887 H GLU 122 H GLU 122 2.160 4.232 13.772 888 HA GLU 122 HA GLU 122 3.612 3.619 16.206 889 HB2 GLU 122 HB2 GLU 122 0.786 4.704 15.777 890 HB3 GLU 122 HB3 GLU 122 1.629 4.606 17.326 891 HG2 GLU 122 HG2 GLU 122 3.512 5.928 15.811 892 HG3 GLU 122 HG3 GLU 122 2.025 6.517 15.066 893 HA PRO 123 HA PRO 123 1.977 -0.350 16.876 894 HB2 PRO 123 HB2 PRO 123 1.787 -0.559 19.650 895 HB3 PRO 123 HB3 PRO 123 3.301 -0.616 18.698 896 HG2 PRO 123 HG2 PRO 123 2.032 1.777 20.050 897 HG3 PRO 123 HG3 PRO 123 3.744 1.242 20.138 898 HD2 PRO 123 HD2 PRO 123 2.981 3.207 18.445 899 HD3 PRO 123 HD3 PRO 123 4.154 1.979 17.899 900 H ASP 124 H ASP 124 -0.106 2.128 17.125 901 HA ASP 124 HA ASP 124 -2.380 1.024 18.479 902 HB2 ASP 124 HB2 ASP 124 -2.405 3.316 18.240 903 HB3 ASP 124 HB3 ASP 124 -1.803 3.285 16.584 904 H SER 125 H SER 125 -1.064 0.426 15.307 905 HA SER 125 HA SER 125 -1.820 -0.644 13.444 906 HB2 SER 125 HB2 SER 125 -2.364 -2.987 13.913 907 HB3 SER 125 HB3 SER 125 -1.015 -2.389 14.872 908 HG SER 125 HG SER 125 -2.115 -2.765 16.649 909 H THR 126 H THR 126 -4.057 1.261 14.363 910 HA THR 126 HA THR 126 -6.459 -0.169 13.962 911 HB THR 126 HB THR 126 -6.157 2.110 15.021 912 HG1 THR 126 HG1 THR 126 -8.193 2.706 14.532 913 HG21 THR 126 HG21 THR 126 -6.367 3.104 12.128 914 HG22 THR 126 HG22 THR 126 -4.989 3.323 13.245 915 HG23 THR 126 HG23 THR 126 -6.528 4.094 13.563 916 H TYR 127 H TYR 127 -4.343 1.395 11.579 917 HA TYR 127 HA TYR 127 -6.191 0.711 9.371 918 HB2 TYR 127 HB2 TYR 127 -4.832 2.245 8.051 919 HB3 TYR 127 HB3 TYR 127 -5.419 3.019 9.512 920 HD1 TYR 127 HD1 TYR 127 -2.522 2.357 7.487 921 HD2 TYR 127 HD2 TYR 127 -3.763 3.230 11.523 922 HE1 TYR 127 HE1 TYR 127 -0.207 2.870 8.084 923 HE2 TYR 127 HE2 TYR 127 -1.475 3.687 12.153 924 HH TYR 127 HH TYR 127 0.698 4.034 11.387 925 H PHE 128 H PHE 128 -2.726 0.226 10.292 926 HA PHE 128 HA PHE 128 -2.576 -2.012 8.319 927 HB2 PHE 128 HB2 PHE 128 -0.664 0.148 9.185 928 HB3 PHE 128 HB3 PHE 128 -0.017 -1.459 8.940 929 HD1 PHE 128 HD1 PHE 128 1.253 -1.305 6.992 930 HD2 PHE 128 HD2 PHE 128 -2.798 0.212 6.938 931 HE1 PHE 128 HE1 PHE 128 1.375 -1.035 4.604 932 HE2 PHE 128 HE2 PHE 128 -2.655 0.548 4.550 933 HZ PHE 128 HZ PHE 128 -0.580 0.026 3.297 934 H ASP 129 H ASP 129 -0.710 -3.522 9.007 935 HA ASP 129 HA ASP 129 -1.445 -4.471 11.691 936 HB2 ASP 129 HB2 ASP 129 -0.336 -6.518 11.068 937 HB3 ASP 129 HB3 ASP 129 -1.625 -6.075 9.960 938 H LEU 130 H LEU 130 0.080 -5.001 13.113 939 HA LEU 130 HA LEU 130 2.038 -2.986 13.679 940 HB2 LEU 130 HB2 LEU 130 0.714 -4.095 15.453 941 HB3 LEU 130 HB3 LEU 130 1.448 -5.650 15.047 942 HG LEU 130 HG LEU 130 3.650 -4.892 15.825 943 HD11 LEU 130 HD11 LEU 130 2.198 -2.278 16.319 944 HD12 LEU 130 HD12 LEU 130 3.559 -2.535 15.214 945 HD13 LEU 130 HD13 LEU 130 3.828 -2.644 16.956 946 HD21 LEU 130 HD21 LEU 130 1.486 -4.133 17.846 947 HD22 LEU 130 HD22 LEU 130 3.154 -4.643 18.199 948 HD23 LEU 130 HD23 LEU 130 2.016 -5.788 17.492 Start of MODEL 14 1 H1 ALA 1 H ALA 1 17.767 -23.581 -2.687 2 HA ALA 1 HA ALA 1 20.561 -22.863 -3.300 3 HB1 ALA 1 HB1 ALA 1 18.532 -21.408 -1.546 4 HB2 ALA 1 HB2 ALA 1 20.195 -20.884 -1.866 5 HB3 ALA 1 HB3 ALA 1 19.021 -20.934 -3.195 6 H THR 2 H THR 2 22.011 -22.674 -1.483 7 HA THR 2 HA THR 2 22.142 -24.986 0.080 8 HB THR 2 HB THR 2 23.967 -23.430 -0.717 9 HG1 THR 2 HG1 THR 2 25.288 -24.162 0.753 10 HG21 THR 2 HG21 THR 2 24.752 -21.640 0.731 11 HG22 THR 2 HG22 THR 2 23.384 -21.861 1.827 12 HG23 THR 2 HG23 THR 2 23.114 -21.271 0.166 13 H GLN 3 H GLN 3 20.402 -22.008 0.761 14 HA GLN 3 HA GLN 3 19.583 -23.108 3.334 15 HB2 GLN 3 HB2 GLN 3 19.748 -20.892 4.363 16 HB3 GLN 3 HB3 GLN 3 21.324 -21.524 3.914 17 HG2 GLN 3 HG2 GLN 3 21.422 -20.053 1.949 18 HG3 GLN 3 HG3 GLN 3 19.773 -19.493 2.232 19 HE21 GLN 3 HE21 GLN 3 22.874 -18.445 2.543 20 HE22 GLN 3 HE22 GLN 3 22.650 -17.404 3.937 21 H SER 4 H SER 4 17.501 -22.527 3.880 22 HA SER 4 HA SER 4 15.881 -20.876 1.991 23 HB2 SER 4 HB2 SER 4 15.119 -23.612 3.053 24 HB3 SER 4 HB3 SER 4 14.154 -22.589 1.991 25 HG SER 4 HG SER 4 15.434 -24.352 1.020 26 HA PRO 5 HA PRO 5 15.547 -20.030 6.595 27 HB2 PRO 5 HB2 PRO 5 16.267 -17.421 6.678 28 HB3 PRO 5 HB3 PRO 5 17.468 -18.734 6.541 29 HG2 PRO 5 HG2 PRO 5 16.266 -17.082 4.298 30 HG3 PRO 5 HG3 PRO 5 18.000 -17.381 4.630 31 HD2 PRO 5 HD2 PRO 5 16.624 -18.887 2.839 32 HD3 PRO 5 HD3 PRO 5 17.873 -19.598 3.911 33 H GLY 6 H GLY 6 13.850 -18.875 3.824 34 HA2 GLY 6 HA2 GLY 6 11.523 -18.496 3.861 35 HA3 GLY 6 HA3 GLY 6 11.613 -17.976 5.549 36 H ASP 7 H ASP 7 10.239 -16.514 3.694 37 HA ASP 7 HA ASP 7 11.704 -13.927 3.672 38 HB2 ASP 7 HB2 ASP 7 10.093 -15.038 1.322 39 HB3 ASP 7 HB3 ASP 7 10.801 -13.437 1.452 40 H SER 8 H SER 8 10.045 -14.526 5.736 41 HA SER 8 HA SER 8 7.300 -14.417 5.433 42 HB2 SER 8 HB2 SER 8 9.032 -13.237 7.632 43 HB3 SER 8 HB3 SER 8 7.269 -13.399 7.734 44 HG SER 8 HG SER 8 7.385 -15.509 7.637 45 H ARG 9 H ARG 9 9.424 -11.499 5.727 46 HA ARG 9 HA ARG 9 7.264 -9.666 5.543 47 HB2 ARG 9 HB2 ARG 9 10.178 -9.348 4.767 48 HB3 ARG 9 HB3 ARG 9 9.010 -8.009 4.846 49 HG2 ARG 9 HG2 ARG 9 8.505 -8.568 7.204 50 HG3 ARG 9 HG3 ARG 9 9.704 -9.864 7.169 51 HD2 ARG 9 HD2 ARG 9 10.074 -6.898 7.232 52 HD3 ARG 9 HD3 ARG 9 10.819 -8.129 8.256 53 HE ARG 9 HE ARG 9 11.651 -7.069 5.715 54 HH11 ARG 9 HH11 ARG 9 12.007 -10.070 7.684 55 HH12 ARG 9 HH12 ARG 9 13.355 -10.638 6.740 56 HH21 ARG 9 HH21 ARG 9 13.268 -7.940 4.495 57 HH22 ARG 9 HH22 ARG 9 14.146 -9.367 4.911 58 H ARG 10 H ARG 10 9.073 -11.294 2.881 59 HA ARG 10 HA ARG 10 7.933 -9.649 0.820 60 HB2 ARG 10 HB2 ARG 10 8.776 -12.587 0.703 61 HB3 ARG 10 HB3 ARG 10 8.316 -11.632 -0.694 62 HG2 ARG 10 HG2 ARG 10 10.689 -10.967 1.110 63 HG3 ARG 10 HG3 ARG 10 10.783 -11.850 -0.423 64 HD2 ARG 10 HD2 ARG 10 9.701 -9.907 -1.557 65 HD3 ARG 10 HD3 ARG 10 9.818 -8.981 -0.044 66 HE ARG 10 HE ARG 10 12.357 -9.617 -0.279 67 HH11 ARG 10 HH11 ARG 10 10.110 -8.411 -2.765 68 HH12 ARG 10 HH12 ARG 10 11.385 -7.822 -3.810 69 HH21 ARG 10 HH21 ARG 10 14.010 -8.685 -1.641 70 HH22 ARG 10 HH22 ARG 10 13.602 -7.885 -3.109 71 H LEU 11 H LEU 11 6.804 -12.637 2.438 72 HA LEU 11 HA LEU 11 4.381 -12.856 0.930 73 HB2 LEU 11 HB2 LEU 11 4.871 -13.751 3.802 74 HB3 LEU 11 HB3 LEU 11 3.548 -14.253 2.767 75 HG LEU 11 HG LEU 11 6.503 -14.878 2.340 76 HD11 LEU 11 HD11 LEU 11 5.416 -16.083 4.202 77 HD12 LEU 11 HD12 LEU 11 5.831 -17.171 2.870 78 HD13 LEU 11 HD13 LEU 11 4.139 -16.647 3.105 79 HD21 LEU 11 HD21 LEU 11 5.666 -16.394 0.536 80 HD22 LEU 11 HD22 LEU 11 5.450 -14.683 0.160 81 HD23 LEU 11 HD23 LEU 11 4.050 -15.636 0.708 82 H SER 12 H SER 12 5.048 -11.284 4.149 83 HA SER 12 HA SER 12 2.480 -10.363 4.636 84 HB2 SER 12 HB2 SER 12 5.090 -8.945 5.320 85 HB3 SER 12 HB3 SER 12 3.524 -8.740 6.123 86 HG SER 12 HG SER 12 4.617 -10.183 7.340 87 H ILE 13 H ILE 13 5.062 -8.698 2.722 88 HA ILE 13 HA ILE 13 3.598 -6.356 2.121 89 HB ILE 13 HB ILE 13 5.879 -7.831 0.733 90 HG12 ILE 13 HG12 ILE 13 5.974 -5.222 2.277 91 HG13 ILE 13 HG13 ILE 13 6.197 -6.764 3.066 92 HG21 ILE 13 HG21 ILE 13 4.692 -5.114 0.052 93 HG22 ILE 13 HG22 ILE 13 6.293 -5.626 -0.500 94 HG23 ILE 13 HG23 ILE 13 4.895 -6.530 -1.016 95 HD11 ILE 13 HD11 ILE 13 8.372 -5.789 2.530 96 HD12 ILE 13 HD12 ILE 13 8.133 -7.281 1.603 97 HD13 ILE 13 HD13 ILE 13 7.963 -5.706 0.809 98 H GLN 14 H GLN 14 4.064 -9.368 0.159 99 HA GLN 14 HA GLN 14 2.394 -8.572 -1.994 100 HB2 GLN 14 HB2 GLN 14 3.111 -11.330 -0.970 101 HB3 GLN 14 HB3 GLN 14 2.333 -11.023 -2.515 102 HG2 GLN 14 HG2 GLN 14 4.808 -9.408 -2.084 103 HG3 GLN 14 HG3 GLN 14 5.078 -11.136 -2.071 104 HE21 GLN 14 HE21 GLN 14 5.014 -12.280 -4.004 105 HE22 GLN 14 HE22 GLN 14 4.735 -11.532 -5.567 106 H ARG 15 H ARG 15 1.588 -10.488 0.902 107 HA ARG 15 HA ARG 15 -1.125 -10.942 0.274 108 HB2 ARG 15 HB2 ARG 15 0.405 -10.721 2.910 109 HB3 ARG 15 HB3 ARG 15 -1.294 -11.161 2.868 110 HG2 ARG 15 HG2 ARG 15 0.827 -12.732 1.336 111 HG3 ARG 15 HG3 ARG 15 0.403 -13.065 3.021 112 HD2 ARG 15 HD2 ARG 15 -1.974 -13.379 2.342 113 HD3 ARG 15 HD3 ARG 15 -1.529 -13.060 0.668 114 HE ARG 15 HE ARG 15 -0.775 -15.150 0.436 115 HH11 ARG 15 HH11 ARG 15 -1.020 -14.517 3.942 116 HH12 ARG 15 HH12 ARG 15 -0.784 -16.185 4.365 117 HH21 ARG 15 HH21 ARG 15 -0.785 -17.403 1.043 118 HH22 ARG 15 HH22 ARG 15 -0.958 -17.846 2.705 119 H ALA 16 H ALA 16 0.480 -8.237 1.990 120 HA ALA 16 HA ALA 16 -1.915 -6.882 2.758 121 HB1 ALA 16 HB1 ALA 16 0.894 -5.782 2.275 122 HB2 ALA 16 HB2 ALA 16 -0.441 -4.920 3.055 123 HB3 ALA 16 HB3 ALA 16 0.228 -6.359 3.815 124 H ILE 17 H ILE 17 0.310 -6.408 -0.042 125 HA ILE 17 HA ILE 17 -1.029 -4.391 -1.393 126 HB ILE 17 HB ILE 17 0.570 -6.776 -2.394 127 HG12 ILE 17 HG12 ILE 17 1.395 -3.849 -2.429 128 HG13 ILE 17 HG13 ILE 17 1.559 -4.811 -0.962 129 HG21 ILE 17 HG21 ILE 17 -0.837 -5.998 -4.301 130 HG22 ILE 17 HG22 ILE 17 -0.205 -4.357 -4.043 131 HG23 ILE 17 HG23 ILE 17 0.864 -5.678 -4.560 132 HD11 ILE 17 HD11 ILE 17 2.837 -5.515 -3.638 133 HD12 ILE 17 HD12 ILE 17 3.641 -4.813 -2.205 134 HD13 ILE 17 HD13 ILE 17 2.963 -6.462 -2.154 135 H GLN 18 H GLN 18 -1.537 -7.920 -1.780 136 HA GLN 18 HA GLN 18 -3.672 -7.773 -3.674 137 HB2 GLN 18 HB2 GLN 18 -2.791 -9.896 -1.683 138 HB3 GLN 18 HB3 GLN 18 -4.094 -10.133 -2.857 139 HG2 GLN 18 HG2 GLN 18 -2.594 -9.725 -4.729 140 HG3 GLN 18 HG3 GLN 18 -1.269 -9.319 -3.649 141 HE21 GLN 18 HE21 GLN 18 -3.078 -11.929 -5.082 142 HE22 GLN 18 HE22 GLN 18 -2.019 -13.192 -4.476 143 H SER 19 H SER 19 -3.711 -7.894 -0.065 144 HA SER 19 HA SER 19 -6.602 -8.056 0.044 145 HB2 SER 19 HB2 SER 19 -4.671 -6.998 2.149 146 HB3 SER 19 HB3 SER 19 -6.345 -7.532 2.398 147 HG SER 19 HG SER 19 -4.082 -9.080 1.622 148 H LEU 20 H LEU 20 -4.254 -5.371 -0.156 149 HA LEU 20 HA LEU 20 -6.125 -3.309 0.467 150 HB2 LEU 20 HB2 LEU 20 -3.409 -3.392 0.317 151 HB3 LEU 20 HB3 LEU 20 -3.713 -2.697 -1.248 152 HG LEU 20 HG LEU 20 -5.032 -1.588 1.256 153 HD11 LEU 20 HD11 LEU 20 -3.210 0.000 1.505 154 HD12 LEU 20 HD12 LEU 20 -2.322 -0.753 0.155 155 HD13 LEU 20 HD13 LEU 20 -2.602 -1.643 1.667 156 HD21 LEU 20 HD21 LEU 20 -5.266 0.418 0.035 157 HD22 LEU 20 HD22 LEU 20 -5.792 -0.835 -1.068 158 HD23 LEU 20 HD23 LEU 20 -4.182 -0.142 -1.277 159 H VAL 21 H VAL 21 -4.711 -4.383 -2.700 160 HA VAL 21 HA VAL 21 -6.248 -2.608 -4.250 161 HB VAL 21 HB VAL 21 -4.312 -3.803 -5.145 162 HG11 VAL 21 HG11 VAL 21 -4.776 -6.031 -4.108 163 HG12 VAL 21 HG12 VAL 21 -6.005 -6.328 -5.349 164 HG13 VAL 21 HG13 VAL 21 -4.308 -6.105 -5.809 165 HG21 VAL 21 HG21 VAL 21 -6.910 -4.251 -6.679 166 HG22 VAL 21 HG22 VAL 21 -5.759 -2.906 -6.831 167 HG23 VAL 21 HG23 VAL 21 -5.325 -4.534 -7.363 168 H HIS 22 H HIS 22 -7.079 -5.943 -3.078 169 HA HIS 22 HA HIS 22 -9.562 -5.995 -4.472 170 HB2 HIS 22 HB2 HIS 22 -8.639 -8.048 -3.660 171 HB3 HIS 22 HB3 HIS 22 -8.525 -7.438 -2.012 172 HD1 HIS 22 HD1 HIS 22 -11.643 -7.549 -4.395 173 HD2 HIS 22 HD2 HIS 22 -10.313 -8.429 -0.486 174 HE1 HIS 22 HE1 HIS 22 -13.701 -8.254 -3.064 175 H ALA 23 H ALA 23 -8.856 -5.140 -0.974 176 HA ALA 23 HA ALA 23 -11.488 -4.485 -0.302 177 HB1 ALA 23 HB1 ALA 23 -10.394 -3.120 1.532 178 HB2 ALA 23 HB2 ALA 23 -9.874 -4.810 1.397 179 HB3 ALA 23 HB3 ALA 23 -8.842 -3.512 0.778 180 H ALA 24 H ALA 24 -9.163 -2.558 -2.112 181 HA ALA 24 HA ALA 24 -10.441 -0.022 -1.707 182 HB1 ALA 24 HB1 ALA 24 -8.988 0.675 -3.618 183 HB2 ALA 24 HB2 ALA 24 -8.077 -0.231 -2.403 184 HB3 ALA 24 HB3 ALA 24 -8.581 -1.031 -3.905 185 H GLN 25 H GLN 25 -11.250 -2.714 -3.761 186 HA GLN 25 HA GLN 25 -13.279 -1.064 -5.175 187 HB2 GLN 25 HB2 GLN 25 -13.004 -2.501 -7.138 188 HB3 GLN 25 HB3 GLN 25 -11.504 -1.661 -6.746 189 HG2 GLN 25 HG2 GLN 25 -10.603 -3.659 -5.677 190 HG3 GLN 25 HG3 GLN 25 -12.088 -4.532 -5.886 191 HE21 GLN 25 HE21 GLN 25 -9.049 -4.261 -7.043 192 HE22 GLN 25 HE22 GLN 25 -9.287 -4.756 -8.732 193 H CYS 26 H CYS 26 -12.897 -3.259 -2.805 194 HA CYS 26 HA CYS 26 -14.628 -5.392 -3.373 195 HB2 CYS 26 HB2 CYS 26 -12.960 -5.356 -1.589 196 HB3 CYS 26 HB3 CYS 26 -13.914 -4.109 -0.729 197 H ARG 27 H ARG 27 -16.464 -4.975 -4.159 198 HA ARG 27 HA ARG 27 -18.487 -3.252 -2.808 199 HB2 ARG 27 HB2 ARG 27 -19.443 -2.810 -4.963 200 HB3 ARG 27 HB3 ARG 27 -17.715 -2.449 -5.001 201 HG2 ARG 27 HG2 ARG 27 -17.691 -5.046 -5.936 202 HG3 ARG 27 HG3 ARG 27 -19.294 -4.543 -6.437 203 HD2 ARG 27 HD2 ARG 27 -16.597 -3.541 -7.297 204 HD3 ARG 27 HD3 ARG 27 -17.939 -4.066 -8.302 205 HE ARG 27 HE ARG 27 -17.366 -1.433 -7.245 206 HH11 ARG 27 HH11 ARG 27 -20.091 -3.423 -8.419 207 HH12 ARG 27 HH12 ARG 27 -20.942 -2.033 -9.028 208 HH21 ARG 27 HH21 ARG 27 -18.597 0.356 -7.961 209 HH22 ARG 27 HH22 ARG 27 -20.213 0.149 -8.499 210 H ASN 28 H ASN 28 -17.614 -6.146 -2.411 211 HA ASN 28 HA ASN 28 -20.182 -7.534 -3.037 212 HB2 ASN 28 HB2 ASN 28 -17.336 -8.596 -2.832 213 HB3 ASN 28 HB3 ASN 28 -18.758 -9.612 -2.753 214 HD21 ASN 28 HD21 ASN 28 -19.230 -10.579 -4.704 215 HD22 ASN 28 HD22 ASN 28 -19.070 -9.791 -6.265 216 H ALA 29 H ALA 29 -21.288 -7.039 -1.172 217 HA ALA 29 HA ALA 29 -20.139 -6.920 1.432 218 HB1 ALA 29 HB1 ALA 29 -22.549 -7.013 2.157 219 HB2 ALA 29 HB2 ALA 29 -22.208 -5.785 0.915 220 HB3 ALA 29 HB3 ALA 29 -23.002 -7.298 0.471 221 H ASN 30 H ASN 30 -20.716 -9.654 -0.474 222 HA ASN 30 HA ASN 30 -21.473 -11.576 1.537 223 HB2 ASN 30 HB2 ASN 30 -21.990 -11.808 -0.858 224 HB3 ASN 30 HB3 ASN 30 -20.271 -11.818 -1.263 225 HD21 ASN 30 HD21 ASN 30 -22.925 -13.850 -0.732 226 HD22 ASN 30 HD22 ASN 30 -22.002 -15.327 -0.521 227 H CYS 31 H CYS 31 -18.293 -10.462 0.227 228 HA CYS 31 HA CYS 31 -16.859 -12.672 1.285 229 HB2 CYS 31 HB2 CYS 31 -14.938 -11.716 0.503 230 HB3 CYS 31 HB3 CYS 31 -16.147 -11.127 -0.607 231 H SER 32 H SER 32 -15.355 -12.730 2.994 232 HA SER 32 HA SER 32 -15.455 -10.695 5.128 233 HB2 SER 32 HB2 SER 32 -17.507 -12.206 5.331 234 HB3 SER 32 HB3 SER 32 -16.397 -13.560 5.579 235 HG SER 32 HG SER 32 -16.783 -13.022 7.538 236 H LEU 33 H LEU 33 -13.220 -10.475 5.066 237 HA LEU 33 HA LEU 33 -11.517 -12.766 5.836 238 HB2 LEU 33 HB2 LEU 33 -11.331 -11.170 3.334 239 HB3 LEU 33 HB3 LEU 33 -9.895 -11.046 4.316 240 HG LEU 33 HG LEU 33 -9.675 -13.530 4.317 241 HD11 LEU 33 HD11 LEU 33 -10.872 -14.778 2.497 242 HD12 LEU 33 HD12 LEU 33 -11.914 -13.362 2.237 243 HD13 LEU 33 HD13 LEU 33 -11.957 -14.244 3.775 244 HD21 LEU 33 HD21 LEU 33 -8.425 -12.028 2.769 245 HD22 LEU 33 HD22 LEU 33 -9.745 -12.157 1.590 246 HD23 LEU 33 HD23 LEU 33 -8.791 -13.594 2.011 247 HA PRO 34 HA PRO 34 -10.620 -9.578 8.812 248 HB2 PRO 34 HB2 PRO 34 -8.016 -10.231 9.586 249 HB3 PRO 34 HB3 PRO 34 -9.513 -11.005 10.191 250 HG2 PRO 34 HG2 PRO 34 -7.669 -11.926 7.983 251 HG3 PRO 34 HG3 PRO 34 -8.400 -12.902 9.294 252 HD2 PRO 34 HD2 PRO 34 -9.443 -12.888 6.799 253 HD3 PRO 34 HD3 PRO 34 -10.526 -12.881 8.229 254 H SER 35 H SER 35 -7.840 -10.191 6.501 255 HA SER 35 HA SER 35 -6.845 -7.559 6.704 256 HB2 SER 35 HB2 SER 35 -5.678 -8.071 4.589 257 HB3 SER 35 HB3 SER 35 -5.441 -9.271 5.853 258 HG SER 35 HG SER 35 -6.061 -9.820 3.502 259 H CYS 36 H CYS 36 -9.126 -8.998 4.360 260 HA CYS 36 HA CYS 36 -9.542 -6.819 2.667 261 HB2 CYS 36 HB2 CYS 36 -10.402 -9.141 2.350 262 HB3 CYS 36 HB3 CYS 36 -11.575 -8.868 3.644 263 H GLN 37 H GLN 37 -11.398 -7.699 5.579 264 HA GLN 37 HA GLN 37 -13.070 -5.432 5.632 265 HB2 GLN 37 HB2 GLN 37 -12.207 -7.376 7.788 266 HB3 GLN 37 HB3 GLN 37 -13.482 -6.159 8.023 267 HG2 GLN 37 HG2 GLN 37 -13.553 -8.211 5.750 268 HG3 GLN 37 HG3 GLN 37 -14.203 -8.472 7.346 269 HE21 GLN 37 HE21 GLN 37 -16.102 -7.243 7.975 270 HE22 GLN 37 HE22 GLN 37 -17.039 -6.301 6.846 271 H LYS 38 H LYS 38 -10.065 -6.015 7.556 272 HA LYS 38 HA LYS 38 -10.301 -3.399 8.762 273 HB2 LYS 38 HB2 LYS 38 -8.150 -3.603 9.681 274 HB3 LYS 38 HB3 LYS 38 -8.924 -5.183 9.741 275 HG2 LYS 38 HG2 LYS 38 -7.603 -5.715 7.591 276 HG3 LYS 38 HG3 LYS 38 -6.670 -4.262 7.916 277 HD2 LYS 38 HD2 LYS 38 -6.935 -6.706 9.728 278 HD3 LYS 38 HD3 LYS 38 -5.542 -6.272 8.727 279 HE2 LYS 38 HE2 LYS 38 -5.322 -4.148 10.005 280 HE3 LYS 38 HE3 LYS 38 -6.622 -4.651 11.082 281 HZ1 LYS 38 HZ1 LYS 38 -5.269 -6.361 11.956 282 HZ2 LYS 38 HZ2 LYS 38 -4.300 -5.045 11.880 283 HZ3 LYS 38 HZ3 LYS 38 -4.125 -6.235 10.777 284 H MET 39 H MET 39 -8.829 -4.421 5.665 285 HA MET 39 HA MET 39 -7.539 -1.968 5.129 286 HB2 MET 39 HB2 MET 39 -8.557 -4.164 3.324 287 HB3 MET 39 HB3 MET 39 -7.815 -2.690 2.699 288 HG2 MET 39 HG2 MET 39 -6.439 -4.678 4.543 289 HG3 MET 39 HG3 MET 39 -6.237 -4.515 2.807 290 HE1 MET 39 HE1 MET 39 -3.616 -4.650 3.820 291 HE2 MET 39 HE2 MET 39 -3.999 -3.938 2.242 292 HE3 MET 39 HE3 MET 39 -2.841 -3.128 3.317 293 H LYS 40 H LYS 40 -10.965 -2.994 4.754 294 HA LYS 40 HA LYS 40 -11.847 -0.965 3.111 295 HB2 LYS 40 HB2 LYS 40 -13.426 -1.763 5.574 296 HB3 LYS 40 HB3 LYS 40 -14.066 -1.102 4.084 297 HG2 LYS 40 HG2 LYS 40 -12.879 -3.836 4.463 298 HG3 LYS 40 HG3 LYS 40 -14.599 -3.474 4.399 299 HD2 LYS 40 HD2 LYS 40 -14.333 -2.810 2.010 300 HD3 LYS 40 HD3 LYS 40 -12.599 -3.135 2.161 301 HE2 LYS 40 HE2 LYS 40 -13.553 -5.040 1.110 302 HE3 LYS 40 HE3 LYS 40 -13.046 -5.500 2.729 303 HZ1 LYS 40 HZ1 LYS 40 -15.837 -4.818 2.034 304 HZ2 LYS 40 HZ2 LYS 40 -15.301 -5.599 3.417 305 HZ3 LYS 40 HZ3 LYS 40 -15.257 -6.320 1.949 306 H ARG 41 H ARG 41 -10.934 -0.803 6.483 307 HA ARG 41 HA ARG 41 -12.136 1.777 7.039 308 HB2 ARG 41 HB2 ARG 41 -9.867 0.353 8.541 309 HB3 ARG 41 HB3 ARG 41 -10.840 1.690 9.150 310 HG2 ARG 41 HG2 ARG 41 -12.851 0.316 9.138 311 HG3 ARG 41 HG3 ARG 41 -12.004 -1.028 8.364 312 HD2 ARG 41 HD2 ARG 41 -12.296 -1.484 10.730 313 HD3 ARG 41 HD3 ARG 41 -10.590 -1.361 10.298 314 HE ARG 41 HE ARG 41 -10.340 0.446 11.665 315 HH11 ARG 41 HH11 ARG 41 -13.851 0.081 11.189 316 HH12 ARG 41 HH12 ARG 41 -14.239 1.253 12.401 317 HH21 ARG 41 HH21 ARG 41 -10.826 1.959 13.096 318 HH22 ARG 41 HH22 ARG 41 -12.458 2.411 13.540 319 H VAL 42 H VAL 42 -8.702 0.820 6.360 320 HA VAL 42 HA VAL 42 -7.799 3.535 6.472 321 HB VAL 42 HB VAL 42 -6.154 1.940 6.717 322 HG11 VAL 42 HG11 VAL 42 -7.082 -0.028 5.741 323 HG12 VAL 42 HG12 VAL 42 -6.834 0.606 4.086 324 HG13 VAL 42 HG13 VAL 42 -5.461 0.216 5.137 325 HG21 VAL 42 HG21 VAL 42 -4.451 2.565 5.208 326 HG22 VAL 42 HG22 VAL 42 -5.610 2.865 3.890 327 HG23 VAL 42 HG23 VAL 42 -5.561 3.934 5.301 328 H VAL 43 H VAL 43 -8.920 1.483 3.724 329 HA VAL 43 HA VAL 43 -8.440 3.585 1.888 330 HB VAL 43 HB VAL 43 -8.626 1.135 1.421 331 HG11 VAL 43 HG11 VAL 43 -10.902 0.848 2.421 332 HG12 VAL 43 HG12 VAL 43 -11.584 1.716 1.036 333 HG13 VAL 43 HG13 VAL 43 -10.734 0.171 0.790 334 HG21 VAL 43 HG21 VAL 43 -10.046 3.032 -0.462 335 HG22 VAL 43 HG22 VAL 43 -8.295 2.899 -0.266 336 HG23 VAL 43 HG23 VAL 43 -9.208 1.529 -0.898 337 H GLN 44 H GLN 44 -11.273 2.920 3.958 338 HA GLN 44 HA GLN 44 -13.054 4.672 2.645 339 HB2 GLN 44 HB2 GLN 44 -13.787 3.180 4.507 340 HB3 GLN 44 HB3 GLN 44 -12.785 4.090 5.642 341 HG2 GLN 44 HG2 GLN 44 -14.232 6.140 4.962 342 HG3 GLN 44 HG3 GLN 44 -15.319 4.962 4.237 343 HE21 GLN 44 HE21 GLN 44 -14.811 6.776 6.956 344 HE22 GLN 44 HE22 GLN 44 -15.665 5.785 8.127 345 H HIS 45 H HIS 45 -10.583 5.191 5.157 346 HA HIS 45 HA HIS 45 -10.954 8.005 5.569 347 HB2 HIS 45 HB2 HIS 45 -9.948 6.654 7.225 348 HB3 HIS 45 HB3 HIS 45 -8.791 5.962 6.122 349 HD1 HIS 45 HD1 HIS 45 -9.313 9.108 8.210 350 HD2 HIS 45 HD2 HIS 45 -6.592 7.375 5.491 351 HE1 HIS 45 HE1 HIS 45 -7.186 10.457 8.357 352 H THR 46 H THR 46 -8.307 6.289 3.611 353 HA THR 46 HA THR 46 -7.389 8.694 2.534 354 HB THR 46 HB THR 46 -6.207 7.288 0.908 355 HG1 THR 46 HG1 THR 46 -7.456 5.647 0.380 356 HG21 THR 46 HG21 THR 46 -5.467 7.536 3.341 357 HG22 THR 46 HG22 THR 46 -4.864 6.106 2.525 358 HG23 THR 46 HG23 THR 46 -6.211 5.958 3.655 359 H LYS 47 H LYS 47 -10.117 6.761 1.273 360 HA LYS 47 HA LYS 47 -10.199 8.119 -1.266 361 HB2 LYS 47 HB2 LYS 47 -12.324 6.747 0.424 362 HB3 LYS 47 HB3 LYS 47 -12.677 7.452 -1.159 363 HG2 LYS 47 HG2 LYS 47 -11.153 5.994 -2.292 364 HG3 LYS 47 HG3 LYS 47 -10.460 5.415 -0.791 365 HD2 LYS 47 HD2 LYS 47 -11.946 3.709 -1.587 366 HD3 LYS 47 HD3 LYS 47 -12.651 4.425 -0.136 367 HE2 LYS 47 HE2 LYS 47 -14.337 4.011 -1.885 368 HE3 LYS 47 HE3 LYS 47 -14.217 5.741 -1.519 369 HZ1 LYS 47 HZ1 LYS 47 -14.278 5.165 -3.923 370 HZ2 LYS 47 HZ2 LYS 47 -12.799 4.466 -3.766 371 HZ3 LYS 47 HZ3 LYS 47 -13.027 6.095 -3.497 372 H GLY 48 H GLY 48 -11.338 8.988 1.957 373 HA2 GLY 48 HA2 GLY 48 -12.880 11.309 1.000 374 HA3 GLY 48 HA3 GLY 48 -12.744 10.668 2.638 375 H CYS 49 H CYS 49 -9.698 10.571 2.330 376 HA CYS 49 HA CYS 49 -8.990 12.999 3.522 377 HB2 CYS 49 HB2 CYS 49 -7.391 10.803 2.169 378 HB3 CYS 49 HB3 CYS 49 -6.616 12.156 2.909 379 H LYS 50 H LYS 50 -9.456 14.808 2.401 380 HA LYS 50 HA LYS 50 -8.129 15.234 -0.254 381 HB2 LYS 50 HB2 LYS 50 -10.670 16.392 0.920 382 HB3 LYS 50 HB3 LYS 50 -9.866 17.120 -0.473 383 HG2 LYS 50 HG2 LYS 50 -10.984 14.289 -0.372 384 HG3 LYS 50 HG3 LYS 50 -11.699 15.690 -1.183 385 HD2 LYS 50 HD2 LYS 50 -9.430 15.830 -2.482 386 HD3 LYS 50 HD3 LYS 50 -9.144 14.207 -1.845 387 HE2 LYS 50 HE2 LYS 50 -10.116 13.818 -3.957 388 HE3 LYS 50 HE3 LYS 50 -11.421 13.548 -2.805 389 HZ1 LYS 50 HZ1 LYS 50 -10.988 15.974 -4.443 390 HZ2 LYS 50 HZ2 LYS 50 -12.157 15.852 -3.308 391 HZ3 LYS 50 HZ3 LYS 50 -12.187 14.846 -4.617 392 H ARG 51 H ARG 51 -8.118 16.201 3.024 393 HA ARG 51 HA ARG 51 -7.151 18.866 2.592 394 HB2 ARG 51 HB2 ARG 51 -6.358 18.830 4.911 395 HB3 ARG 51 HB3 ARG 51 -8.029 18.288 4.752 396 HG2 ARG 51 HG2 ARG 51 -7.419 16.000 5.044 397 HG3 ARG 51 HG3 ARG 51 -5.675 16.353 5.002 398 HD2 ARG 51 HD2 ARG 51 -7.621 17.416 7.099 399 HD3 ARG 51 HD3 ARG 51 -6.617 15.962 7.304 400 HE ARG 51 HE ARG 51 -4.683 17.592 6.729 401 HH11 ARG 51 HH11 ARG 51 -7.387 18.278 8.949 402 HH12 ARG 51 HH12 ARG 51 -6.515 19.575 9.742 403 HH21 ARG 51 HH21 ARG 51 -3.522 19.020 7.950 404 HH22 ARG 51 HH22 ARG 51 -4.288 20.113 9.034 405 H LYS 52 H LYS 52 -5.659 15.990 1.861 406 HA LYS 52 HA LYS 52 -3.002 16.045 2.377 407 HB2 LYS 52 HB2 LYS 52 -4.121 15.448 -0.379 408 HB3 LYS 52 HB3 LYS 52 -2.663 14.782 0.339 409 HG2 LYS 52 HG2 LYS 52 -4.058 13.625 2.039 410 HG3 LYS 52 HG3 LYS 52 -5.524 14.218 1.247 411 HD2 LYS 52 HD2 LYS 52 -3.399 12.457 -0.003 412 HD3 LYS 52 HD3 LYS 52 -4.974 11.905 0.614 413 HE2 LYS 52 HE2 LYS 52 -6.175 13.058 -1.089 414 HE3 LYS 52 HE3 LYS 52 -4.735 13.963 -1.613 415 HZ1 LYS 52 HZ1 LYS 52 -5.334 11.129 -2.018 416 HZ2 LYS 52 HZ2 LYS 52 -3.803 11.779 -2.262 417 HZ3 LYS 52 HZ3 LYS 52 -5.082 12.275 -3.157 418 H THR 53 H THR 53 -4.559 17.856 -0.166 419 HA THR 53 HA THR 53 -2.384 18.953 -1.458 420 HB THR 53 HB THR 53 -4.710 18.959 -2.171 421 HG1 THR 53 HG1 THR 53 -3.939 21.651 -2.038 422 HG21 THR 53 HG21 THR 53 -6.326 20.602 -1.382 423 HG22 THR 53 HG22 THR 53 -5.185 21.167 -0.146 424 HG23 THR 53 HG23 THR 53 -5.846 19.542 -0.062 425 H ASN 54 H ASN 54 -3.382 19.785 1.790 426 HA ASN 54 HA ASN 54 -1.498 22.138 1.818 427 HB2 ASN 54 HB2 ASN 54 -3.733 22.892 2.401 428 HB3 ASN 54 HB3 ASN 54 -3.952 21.488 3.477 429 HD21 ASN 54 HD21 ASN 54 -3.938 22.176 5.621 430 HD22 ASN 54 HD22 ASN 54 -2.700 23.225 6.255 431 H GLY 55 H GLY 55 -2.979 19.577 3.897 432 HA2 GLY 55 HA2 GLY 55 -0.342 18.679 4.818 433 HA3 GLY 55 HA3 GLY 55 -1.426 19.427 5.996 434 H GLY 56 H GLY 56 -0.715 16.698 4.150 435 HA2 GLY 56 HA2 GLY 56 -3.260 15.249 4.757 436 HA3 GLY 56 HA3 GLY 56 -2.004 14.736 3.606 437 H CYS 57 H CYS 57 -3.117 13.232 5.742 438 HA CYS 57 HA CYS 57 -1.251 13.014 7.921 439 HB2 CYS 57 HB2 CYS 57 -2.645 11.033 8.467 440 HB3 CYS 57 HB3 CYS 57 -3.612 12.437 8.160 441 HA PRO 58 HA PRO 58 1.690 10.227 6.113 442 HB2 PRO 58 HB2 PRO 58 2.301 8.438 8.074 443 HB3 PRO 58 HB3 PRO 58 2.737 10.164 8.185 444 HG2 PRO 58 HG2 PRO 58 0.264 8.811 9.347 445 HG3 PRO 58 HG3 PRO 58 1.452 9.855 10.189 446 HD2 PRO 58 HD2 PRO 58 -0.793 10.948 9.265 447 HD3 PRO 58 HD3 PRO 58 0.753 11.786 9.006 448 H ILE 59 H ILE 59 -1.405 8.963 7.192 449 HA ILE 59 HA ILE 59 -1.127 6.243 6.359 450 HB ILE 59 HB ILE 59 -3.626 7.967 6.536 451 HG12 ILE 59 HG12 ILE 59 -2.140 6.189 8.506 452 HG13 ILE 59 HG13 ILE 59 -2.529 7.895 8.673 453 HG21 ILE 59 HG21 ILE 59 -3.354 4.934 6.417 454 HG22 ILE 59 HG22 ILE 59 -4.870 5.855 6.577 455 HG23 ILE 59 HG23 ILE 59 -3.941 5.950 5.086 456 HD11 ILE 59 HD11 ILE 59 -3.964 6.651 10.122 457 HD12 ILE 59 HD12 ILE 59 -4.966 7.277 8.787 458 HD13 ILE 59 HD13 ILE 59 -4.482 5.572 8.832 459 H CYS 60 H CYS 60 -2.466 9.150 4.656 460 HA CYS 60 HA CYS 60 -2.893 7.865 2.196 461 HB2 CYS 60 HB2 CYS 60 -2.179 10.783 2.754 462 HB3 CYS 60 HB3 CYS 60 -2.890 10.145 1.260 463 H LYS 61 H LYS 61 0.091 8.988 3.632 464 HA LYS 61 HA LYS 61 1.711 8.913 1.173 465 HB2 LYS 61 HB2 LYS 61 2.469 10.451 2.811 466 HB3 LYS 61 HB3 LYS 61 2.289 9.293 4.117 467 HG2 LYS 61 HG2 LYS 61 4.223 8.004 3.284 468 HG3 LYS 61 HG3 LYS 61 4.451 9.180 1.973 469 HD2 LYS 61 HD2 LYS 61 5.140 10.881 3.476 470 HD3 LYS 61 HD3 LYS 61 4.272 10.168 4.822 471 HE2 LYS 61 HE2 LYS 61 6.477 9.832 5.371 472 HE3 LYS 61 HE3 LYS 61 5.877 8.257 4.884 473 HZ1 LYS 61 HZ1 LYS 61 8.083 8.783 4.140 474 HZ2 LYS 61 HZ2 LYS 61 7.568 10.043 3.243 475 HZ3 LYS 61 HZ3 LYS 61 7.109 8.495 2.837 476 H GLN 62 H GLN 62 1.349 6.799 4.106 477 HA GLN 62 HA GLN 62 3.135 4.788 3.222 478 HB2 GLN 62 HB2 GLN 62 2.599 3.777 5.146 479 HB3 GLN 62 HB3 GLN 62 1.782 5.262 5.539 480 HG2 GLN 62 HG2 GLN 62 -0.368 4.214 4.646 481 HG3 GLN 62 HG3 GLN 62 0.525 2.692 4.473 482 HE21 GLN 62 HE21 GLN 62 -0.031 1.317 6.194 483 HE22 GLN 62 HE22 GLN 62 -0.274 1.928 7.812 484 H LEU 63 H LEU 63 -0.338 5.313 2.687 485 HA LEU 63 HA LEU 63 -0.927 2.863 1.427 486 HB2 LEU 63 HB2 LEU 63 -2.682 4.403 2.150 487 HB3 LEU 63 HB3 LEU 63 -2.120 5.638 1.016 488 HG LEU 63 HG LEU 63 -2.728 4.209 -0.903 489 HD11 LEU 63 HD11 LEU 63 -3.784 2.251 1.183 490 HD12 LEU 63 HD12 LEU 63 -2.448 1.945 0.036 491 HD13 LEU 63 HD13 LEU 63 -4.082 2.183 -0.576 492 HD21 LEU 63 HD21 LEU 63 -5.127 4.382 -0.687 493 HD22 LEU 63 HD22 LEU 63 -4.402 5.741 0.187 494 HD23 LEU 63 HD23 LEU 63 -5.013 4.336 1.089 495 H ILE 64 H ILE 64 0.184 6.000 0.032 496 HA ILE 64 HA ILE 64 0.327 5.030 -2.616 497 HB ILE 64 HB ILE 64 1.479 7.402 -1.157 498 HG12 ILE 64 HG12 ILE 64 -0.403 7.139 -3.559 499 HG13 ILE 64 HG13 ILE 64 -0.913 7.168 -1.864 500 HG21 ILE 64 HG21 ILE 64 3.255 6.930 -2.726 501 HG22 ILE 64 HG22 ILE 64 2.101 6.642 -4.029 502 HG23 ILE 64 HG23 ILE 64 2.324 8.280 -3.361 503 HD11 ILE 64 HD11 ILE 64 -1.286 9.322 -2.721 504 HD12 ILE 64 HD12 ILE 64 0.077 9.422 -1.589 505 HD13 ILE 64 HD13 ILE 64 0.368 9.455 -3.352 506 H ALA 65 H ALA 65 2.620 4.701 0.091 507 HA ALA 65 HA ALA 65 4.894 3.948 -1.471 508 HB1 ALA 65 HB1 ALA 65 5.835 3.094 0.578 509 HB2 ALA 65 HB2 ALA 65 4.964 4.582 0.985 510 HB3 ALA 65 HB3 ALA 65 4.275 2.983 1.361 511 H LEU 66 H LEU 66 2.382 1.968 0.153 512 HA LEU 66 HA LEU 66 3.447 -0.498 -0.934 513 HB2 LEU 66 HB2 LEU 66 2.159 -0.217 1.255 514 HB3 LEU 66 HB3 LEU 66 0.703 -0.025 0.281 515 HG LEU 66 HG LEU 66 1.175 -2.310 -0.724 516 HD11 LEU 66 HD11 LEU 66 3.564 -2.589 -0.306 517 HD12 LEU 66 HD12 LEU 66 2.714 -3.799 0.661 518 HD13 LEU 66 HD13 LEU 66 3.327 -2.349 1.443 519 HD21 LEU 66 HD21 LEU 66 0.363 -3.558 1.186 520 HD22 LEU 66 HD22 LEU 66 -0.422 -1.978 1.118 521 HD23 LEU 66 HD23 LEU 66 0.874 -2.267 2.298 522 H ALA 67 H ALA 67 0.709 1.648 -1.788 523 HA ALA 67 HA ALA 67 -0.558 0.045 -3.696 524 HB1 ALA 67 HB1 ALA 67 -1.459 2.287 -4.533 525 HB2 ALA 67 HB2 ALA 67 -1.538 2.088 -2.776 526 HB3 ALA 67 HB3 ALA 67 -0.256 3.073 -3.506 527 H ALA 68 H ALA 68 2.433 1.886 -3.978 528 HA ALA 68 HA ALA 68 2.579 2.030 -6.811 529 HB1 ALA 68 HB1 ALA 68 5.009 2.324 -6.407 530 HB2 ALA 68 HB2 ALA 68 4.025 3.329 -5.321 531 HB3 ALA 68 HB3 ALA 68 4.791 1.838 -4.719 532 H TYR 69 H TYR 69 3.104 -0.675 -4.581 533 HA TYR 69 HA TYR 69 4.624 -2.258 -6.468 534 HB2 TYR 69 HB2 TYR 69 3.255 -2.920 -3.852 535 HB3 TYR 69 HB3 TYR 69 3.916 -4.129 -4.932 536 HD1 TYR 69 HD1 TYR 69 5.620 -0.804 -4.292 537 HD2 TYR 69 HD2 TYR 69 5.557 -5.071 -3.482 538 HE1 TYR 69 HE1 TYR 69 7.926 -0.707 -3.484 539 HE2 TYR 69 HE2 TYR 69 7.830 -4.932 -2.647 540 HH TYR 69 HH TYR 69 9.741 -3.701 -2.723 541 H HIS 70 H HIS 70 1.086 -2.211 -5.441 542 HA HIS 70 HA HIS 70 0.371 -4.240 -7.324 543 HB2 HIS 70 HB2 HIS 70 -1.337 -3.749 -5.770 544 HB3 HIS 70 HB3 HIS 70 -1.179 -2.012 -6.007 545 HD1 HIS 70 HD1 HIS 70 -2.492 -5.048 -8.187 546 HD2 HIS 70 HD2 HIS 70 -2.687 -0.903 -7.649 547 HE1 HIS 70 HE1 HIS 70 -4.216 -4.167 -9.836 548 H ALA 71 H ALA 71 0.833 -0.694 -7.721 549 HA ALA 71 HA ALA 71 -0.215 -0.512 -10.317 550 HB1 ALA 71 HB1 ALA 71 1.005 1.576 -10.489 551 HB2 ALA 71 HB2 ALA 71 0.319 1.399 -8.864 552 HB3 ALA 71 HB3 ALA 71 2.063 1.116 -9.131 553 H LYS 72 H LYS 72 2.906 -1.894 -9.364 554 HA LYS 72 HA LYS 72 3.754 -1.977 -12.199 555 HB2 LYS 72 HB2 LYS 72 5.864 -2.924 -11.399 556 HB3 LYS 72 HB3 LYS 72 5.513 -1.342 -10.725 557 HG2 LYS 72 HG2 LYS 72 4.980 -2.188 -8.615 558 HG3 LYS 72 HG3 LYS 72 4.907 -3.871 -9.182 559 HD2 LYS 72 HD2 LYS 72 7.124 -4.182 -8.991 560 HD3 LYS 72 HD3 LYS 72 7.527 -2.587 -9.669 561 HE2 LYS 72 HE2 LYS 72 6.996 -1.489 -7.541 562 HE3 LYS 72 HE3 LYS 72 6.545 -3.047 -6.813 563 HZ1 LYS 72 HZ1 LYS 72 8.787 -3.760 -6.937 564 HZ2 LYS 72 HZ2 LYS 72 8.843 -2.218 -6.348 565 HZ3 LYS 72 HZ3 LYS 72 9.222 -2.487 -7.901 566 H HIS 73 H HIS 73 1.585 -3.740 -10.556 567 HA HIS 73 HA HIS 73 2.336 -6.318 -11.874 568 HB2 HIS 73 HB2 HIS 73 0.619 -5.879 -9.412 569 HB3 HIS 73 HB3 HIS 73 1.047 -7.431 -10.120 570 HD1 HIS 73 HD1 HIS 73 1.673 -6.326 -7.108 571 HD2 HIS 73 HD2 HIS 73 4.256 -6.670 -10.392 572 HE1 HIS 73 HE1 HIS 73 4.079 -6.302 -6.145 573 H CYS 74 H CYS 74 -0.087 -3.836 -11.334 574 HA CYS 74 HA CYS 74 -2.462 -5.019 -12.094 575 HB2 CYS 74 HB2 CYS 74 -1.793 -2.626 -11.192 576 HB3 CYS 74 HB3 CYS 74 -1.720 -2.216 -12.922 577 H GLN 75 H GLN 75 -3.334 -5.663 -13.957 578 HA GLN 75 HA GLN 75 -1.660 -5.870 -16.335 579 HB2 GLN 75 HB2 GLN 75 -3.028 -7.743 -15.545 580 HB3 GLN 75 HB3 GLN 75 -4.501 -6.788 -15.748 581 HG2 GLN 75 HG2 GLN 75 -4.202 -8.372 -17.598 582 HG3 GLN 75 HG3 GLN 75 -4.145 -6.718 -18.190 583 HE21 GLN 75 HE21 GLN 75 -2.134 -5.880 -19.003 584 HE22 GLN 75 HE22 GLN 75 -0.789 -6.935 -19.375 585 H GLU 76 H GLU 76 -4.678 -4.135 -15.454 586 HA GLU 76 HA GLU 76 -4.942 -2.989 -18.141 587 HB2 GLU 76 HB2 GLU 76 -6.946 -1.938 -17.298 588 HB3 GLU 76 HB3 GLU 76 -6.917 -3.642 -16.864 589 HG2 GLU 76 HG2 GLU 76 -5.798 -2.465 -14.604 590 HG3 GLU 76 HG3 GLU 76 -6.927 -1.228 -15.136 591 H ASN 77 H ASN 77 -5.263 -0.494 -18.196 592 HA ASN 77 HA ASN 77 -3.018 0.814 -16.727 593 HB2 ASN 77 HB2 ASN 77 -4.031 1.424 -19.518 594 HB3 ASN 77 HB3 ASN 77 -2.731 2.255 -18.667 595 HD21 ASN 77 HD21 ASN 77 -3.227 -0.102 -20.997 596 HD22 ASN 77 HD22 ASN 77 -1.916 -1.199 -20.562 597 H LYS 78 H LYS 78 -6.135 0.517 -16.412 598 HA LYS 78 HA LYS 78 -6.612 3.270 -15.458 599 HB2 LYS 78 HB2 LYS 78 -7.765 3.072 -17.690 600 HB3 LYS 78 HB3 LYS 78 -8.655 1.672 -17.084 601 HG2 LYS 78 HG2 LYS 78 -9.600 3.102 -15.236 602 HG3 LYS 78 HG3 LYS 78 -8.734 4.495 -15.883 603 HD2 LYS 78 HD2 LYS 78 -10.756 2.876 -17.489 604 HD3 LYS 78 HD3 LYS 78 -11.205 4.260 -16.477 605 HE2 LYS 78 HE2 LYS 78 -9.751 5.753 -17.734 606 HE3 LYS 78 HE3 LYS 78 -9.146 4.407 -18.719 607 HZ1 LYS 78 HZ1 LYS 78 -10.935 5.689 -19.806 608 HZ2 LYS 78 HZ2 LYS 78 -11.980 5.244 -18.628 609 HZ3 LYS 78 HZ3 LYS 78 -11.315 4.110 -19.627 610 H CYS 79 H CYS 79 -5.690 1.861 -13.679 611 HA CYS 79 HA CYS 79 -6.825 -0.453 -12.694 612 HB2 CYS 79 HB2 CYS 79 -5.691 1.898 -11.142 613 HB3 CYS 79 HB3 CYS 79 -5.705 0.209 -10.613 614 HA PRO 80 HA PRO 80 -10.722 1.012 -11.109 615 HB2 PRO 80 HB2 PRO 80 -11.341 -0.837 -9.184 616 HB3 PRO 80 HB3 PRO 80 -11.347 -1.226 -10.934 617 HG2 PRO 80 HG2 PRO 80 -9.110 -1.692 -8.934 618 HG3 PRO 80 HG3 PRO 80 -9.814 -2.858 -10.084 619 HD2 PRO 80 HD2 PRO 80 -7.531 -1.503 -10.675 620 HD3 PRO 80 HD3 PRO 80 -8.754 -1.786 -11.946 621 H VAL 81 H VAL 81 -7.892 0.591 -9.174 622 HA VAL 81 HA VAL 81 -8.845 1.941 -6.796 623 HB VAL 81 HB VAL 81 -6.068 1.014 -7.625 624 HG11 VAL 81 HG11 VAL 81 -5.637 1.080 -5.170 625 HG12 VAL 81 HG12 VAL 81 -5.990 2.677 -5.818 626 HG13 VAL 81 HG13 VAL 81 -7.252 1.798 -4.934 627 HG21 VAL 81 HG21 VAL 81 -6.591 -0.892 -5.984 628 HG22 VAL 81 HG22 VAL 81 -8.298 -0.433 -6.174 629 HG23 VAL 81 HG23 VAL 81 -7.340 -0.975 -7.572 630 HA PRO 82 HA PRO 82 -7.831 5.845 -8.819 631 HB2 PRO 82 HB2 PRO 82 -8.211 7.581 -6.708 632 HB3 PRO 82 HB3 PRO 82 -9.539 6.808 -7.619 633 HG2 PRO 82 HG2 PRO 82 -8.343 5.965 -4.976 634 HG3 PRO 82 HG3 PRO 82 -10.072 6.073 -5.419 635 HD2 PRO 82 HD2 PRO 82 -8.668 3.723 -5.455 636 HD3 PRO 82 HD3 PRO 82 -9.971 4.018 -6.623 637 H PHE 83 H PHE 83 -6.218 4.831 -5.811 638 HA PHE 83 HA PHE 83 -4.142 6.867 -6.047 639 HB2 PHE 83 HB2 PHE 83 -4.695 4.555 -4.217 640 HB3 PHE 83 HB3 PHE 83 -3.044 5.137 -4.359 641 HD1 PHE 83 HD1 PHE 83 -6.161 7.335 -4.458 642 HD2 PHE 83 HD2 PHE 83 -2.678 6.036 -2.255 643 HE1 PHE 83 HE1 PHE 83 -6.529 9.132 -2.804 644 HE2 PHE 83 HE2 PHE 83 -3.053 7.863 -0.605 645 HZ PHE 83 HZ PHE 83 -4.987 9.388 -0.852 646 H CYS 84 H CYS 84 -4.584 3.568 -7.239 647 HA CYS 84 HA CYS 84 -1.893 2.964 -7.878 648 HB2 CYS 84 HB2 CYS 84 -4.026 1.448 -7.842 649 HB3 CYS 84 HB3 CYS 84 -4.390 2.125 -9.427 650 H LEU 85 H LEU 85 -4.513 4.174 -10.022 651 HA LEU 85 HA LEU 85 -2.784 4.756 -12.190 652 HB2 LEU 85 HB2 LEU 85 -4.593 5.990 -13.197 653 HB3 LEU 85 HB3 LEU 85 -5.181 4.506 -12.466 654 HG LEU 85 HG LEU 85 -5.709 6.103 -10.407 655 HD11 LEU 85 HD11 LEU 85 -6.202 8.343 -10.839 656 HD12 LEU 85 HD12 LEU 85 -6.258 8.097 -12.615 657 HD13 LEU 85 HD13 LEU 85 -4.724 8.152 -11.781 658 HD21 LEU 85 HD21 LEU 85 -7.447 5.961 -12.882 659 HD22 LEU 85 HD22 LEU 85 -7.992 6.418 -11.247 660 HD23 LEU 85 HD23 LEU 85 -7.373 4.780 -11.557 661 H ASN 86 H ASN 86 -3.818 6.807 -9.430 662 HA ASN 86 HA ASN 86 -2.685 9.215 -10.227 663 HB2 ASN 86 HB2 ASN 86 -4.083 8.945 -8.218 664 HB3 ASN 86 HB3 ASN 86 -2.764 8.066 -7.413 665 HD21 ASN 86 HD21 ASN 86 -2.663 9.608 -5.682 666 HD22 ASN 86 HD22 ASN 86 -2.178 11.269 -5.927 667 H ILE 87 H ILE 87 -1.045 6.512 -8.497 668 HA ILE 87 HA ILE 87 1.534 7.712 -8.363 669 HB ILE 87 HB ILE 87 0.468 4.868 -8.342 670 HG12 ILE 87 HG12 ILE 87 1.871 6.373 -6.128 671 HG13 ILE 87 HG13 ILE 87 0.158 6.645 -6.432 672 HG21 ILE 87 HG21 ILE 87 3.374 5.720 -8.096 673 HG22 ILE 87 HG22 ILE 87 2.751 4.149 -7.539 674 HG23 ILE 87 HG23 ILE 87 2.655 4.557 -9.241 675 HD11 ILE 87 HD11 ILE 87 -0.240 4.158 -6.242 676 HD12 ILE 87 HD12 ILE 87 1.432 4.017 -5.636 677 HD13 ILE 87 HD13 ILE 87 0.232 4.995 -4.759 678 H LYS 88 H LYS 88 0.021 5.570 -10.874 679 HA LYS 88 HA LYS 88 2.380 5.292 -12.388 680 HB2 LYS 88 HB2 LYS 88 -0.011 4.072 -12.521 681 HB3 LYS 88 HB3 LYS 88 -0.332 5.315 -13.719 682 HG2 LYS 88 HG2 LYS 88 0.610 3.566 -15.007 683 HG3 LYS 88 HG3 LYS 88 1.978 4.640 -14.749 684 HD2 LYS 88 HD2 LYS 88 2.364 3.134 -12.566 685 HD3 LYS 88 HD3 LYS 88 1.272 2.025 -13.390 686 HE2 LYS 88 HE2 LYS 88 3.449 1.346 -13.948 687 HE3 LYS 88 HE3 LYS 88 2.800 2.101 -15.409 688 HZ1 LYS 88 HZ1 LYS 88 5.142 2.669 -14.776 689 HZ2 LYS 88 HZ2 LYS 88 4.590 3.491 -13.484 690 HZ3 LYS 88 HZ3 LYS 88 4.220 3.966 -15.034 691 H GLN 89 H GLN 89 -0.292 7.620 -12.841 692 HA GLN 89 HA GLN 89 0.821 8.805 -15.107 693 HB2 GLN 89 HB2 GLN 89 -0.573 10.777 -14.769 694 HB3 GLN 89 HB3 GLN 89 -1.406 9.223 -14.744 695 HG2 GLN 89 HG2 GLN 89 -1.363 9.272 -12.293 696 HG3 GLN 89 HG3 GLN 89 -0.635 10.859 -12.322 697 HE21 GLN 89 HE21 GLN 89 -1.973 12.593 -12.749 698 HE22 GLN 89 HE22 GLN 89 -3.649 12.447 -13.181 699 H LYS 90 H LYS 90 1.588 9.593 -11.744 700 HA LYS 90 HA LYS 90 3.423 11.732 -12.642 701 HB2 LYS 90 HB2 LYS 90 3.710 12.233 -10.333 702 HB3 LYS 90 HB3 LYS 90 1.995 11.993 -10.642 703 HG2 LYS 90 HG2 LYS 90 2.283 9.601 -9.757 704 HG3 LYS 90 HG3 LYS 90 3.918 10.066 -9.283 705 HD2 LYS 90 HD2 LYS 90 2.724 10.398 -7.310 706 HD3 LYS 90 HD3 LYS 90 2.809 12.023 -8.016 707 HE2 LYS 90 HE2 LYS 90 0.540 11.305 -9.172 708 HE3 LYS 90 HE3 LYS 90 0.479 10.091 -7.902 709 HZ1 LYS 90 HZ1 LYS 90 0.587 11.952 -6.291 710 HZ2 LYS 90 HZ2 LYS 90 -0.690 12.080 -7.323 711 HZ3 LYS 90 HZ3 LYS 90 0.632 13.008 -7.572 712 H GLY 91 H GLY 91 3.736 8.378 -12.383 713 HA2 GLY 91 HA2 GLY 91 5.487 6.943 -12.429 714 HA3 GLY 91 HA3 GLY 91 6.481 8.318 -12.897 715 H GLY 92 H GLY 92 5.220 9.046 -9.889 716 HA2 GLY 92 HA2 GLY 92 6.001 8.843 -7.694 717 HA3 GLY 92 HA3 GLY 92 7.062 7.523 -8.212 718 H SER 93 H SER 93 6.923 10.822 -9.681 719 HA SER 93 HA SER 93 9.682 11.147 -9.804 720 HB2 SER 93 HB2 SER 93 9.188 13.489 -10.306 721 HB3 SER 93 HB3 SER 93 8.030 12.433 -11.130 722 HG SER 93 HG SER 93 7.658 14.021 -8.809 723 H GLY 94 H GLY 94 11.127 12.600 -8.693 724 HA2 GLY 94 HA2 GLY 94 10.824 14.220 -6.570 725 HA3 GLY 94 HA3 GLY 94 10.658 12.640 -5.802 726 H GLY 95 H GLY 95 12.741 11.688 -8.032 727 HA2 GLY 95 HA2 GLY 95 15.040 11.907 -8.363 728 HA3 GLY 95 HA3 GLY 95 15.220 12.852 -6.873 729 H GLY 96 H GLY 96 13.760 11.251 -5.049 730 HA2 GLY 96 HA2 GLY 96 13.677 9.287 -3.917 731 HA3 GLY 96 HA3 GLY 96 14.496 8.460 -5.238 732 H THR 97 H THR 97 16.377 11.208 -4.092 733 HA THR 97 HA THR 97 18.356 9.342 -3.138 734 HB THR 97 HB THR 97 19.633 11.282 -2.392 735 HG1 THR 97 HG1 THR 97 17.415 12.816 -3.270 736 HG21 THR 97 HG21 THR 97 19.737 10.584 -4.770 737 HG22 THR 97 HG22 THR 97 20.013 12.322 -4.554 738 HG23 THR 97 HG23 THR 97 18.445 11.746 -5.152 739 H GLY 98 H GLY 98 18.903 8.740 -1.058 740 HA2 GLY 98 HA2 GLY 98 18.355 9.592 1.388 741 HA3 GLY 98 HA3 GLY 98 16.764 8.923 0.955 742 H GLY 99 H GLY 99 17.334 6.769 -0.527 743 HA2 GLY 99 HA2 GLY 99 17.576 4.528 -0.303 744 HA3 GLY 99 HA3 GLY 99 19.272 4.966 -0.121 745 H GLY 100 H GLY 100 16.286 4.816 1.939 746 HA2 GLY 100 HA2 GLY 100 15.972 3.547 3.884 747 HA3 GLY 100 HA3 GLY 100 17.628 2.948 3.764 748 H SER 101 H SER 101 16.725 6.394 3.785 749 HA SER 101 HA SER 101 18.616 7.191 5.624 750 HB2 SER 101 HB2 SER 101 17.246 9.260 5.793 751 HB3 SER 101 HB3 SER 101 17.527 8.714 4.125 752 HG SER 101 HG SER 101 15.193 8.091 5.623 753 H GLY 102 H GLY 102 18.849 6.603 7.696 754 HA2 GLY 102 HA2 GLY 102 17.521 7.169 9.893 755 HA3 GLY 102 HA3 GLY 102 16.478 5.857 9.337 756 H THR 103 H THR 103 19.265 4.719 8.180 757 HA THR 103 HA THR 103 20.462 3.772 10.704 758 HB THR 103 HB THR 103 18.730 2.136 10.139 759 HG1 THR 103 HG1 THR 103 20.011 0.356 10.090 760 HG21 THR 103 HG21 THR 103 18.781 0.825 8.059 761 HG22 THR 103 HG22 THR 103 20.109 1.825 7.438 762 HG23 THR 103 HG23 THR 103 18.520 2.542 7.720 763 H ILE 104 H ILE 104 22.375 2.344 10.021 764 HA ILE 104 HA ILE 104 24.044 3.926 8.147 765 HB ILE 104 HB ILE 104 24.759 3.531 10.500 766 HG12 ILE 104 HG12 ILE 104 26.664 2.306 8.466 767 HG13 ILE 104 HG13 ILE 104 26.320 4.031 8.615 768 HG21 ILE 104 HG21 ILE 104 25.196 0.620 9.702 769 HG22 ILE 104 HG22 ILE 104 25.566 1.375 11.260 770 HG23 ILE 104 HG23 ILE 104 23.888 1.193 10.763 771 HD11 ILE 104 HD11 ILE 104 27.636 2.249 10.697 772 HD12 ILE 104 HD12 ILE 104 28.338 3.606 9.804 773 HD13 ILE 104 HD13 ILE 104 27.092 3.919 11.022 774 H GLU 105 H GLU 105 22.118 1.167 8.326 775 HA GLU 105 HA GLU 105 23.453 -0.519 6.313 776 HB2 GLU 105 HB2 GLU 105 20.977 -0.880 8.055 777 HB3 GLU 105 HB3 GLU 105 21.745 -2.132 7.073 778 HG2 GLU 105 HG2 GLU 105 23.772 -2.040 8.458 779 HG3 GLU 105 HG3 GLU 105 23.130 -0.711 9.406 780 H GLY 106 H GLY 106 20.681 -1.427 5.419 781 HA2 GLY 106 HA2 GLY 106 18.979 -0.770 4.037 782 HA3 GLY 106 HA3 GLY 106 19.473 0.919 4.180 783 H ARG 107 H ARG 107 22.064 -1.188 3.353 784 HA ARG 107 HA ARG 107 22.304 0.050 0.742 785 HB2 ARG 107 HB2 ARG 107 24.097 -0.494 2.599 786 HB3 ARG 107 HB3 ARG 107 24.214 -2.042 1.764 787 HG2 ARG 107 HG2 ARG 107 24.735 -0.826 -0.360 788 HG3 ARG 107 HG3 ARG 107 24.552 0.724 0.473 789 HD2 ARG 107 HD2 ARG 107 26.546 -1.436 1.199 790 HD3 ARG 107 HD3 ARG 107 26.934 -0.037 0.195 791 HE ARG 107 HE ARG 107 26.280 1.394 2.157 792 HH11 ARG 107 HH11 ARG 107 27.682 -1.849 2.746 793 HH12 ARG 107 HH12 ARG 107 27.897 -1.553 4.443 794 HH21 ARG 107 HH21 ARG 107 26.784 1.817 4.252 795 HH22 ARG 107 HH22 ARG 107 27.600 0.658 5.265 796 H GLY 108 H GLY 108 20.182 -2.264 1.239 797 HA2 GLY 108 HA2 GLY 108 19.251 -3.257 -0.749 798 HA3 GLY 108 HA3 GLY 108 20.853 -3.707 -1.290 799 H ASP 109 H ASP 109 20.176 -4.258 2.124 800 HA ASP 109 HA ASP 109 20.621 -7.099 1.842 801 HB2 ASP 109 HB2 ASP 109 21.273 -6.015 3.891 802 HB3 ASP 109 HB3 ASP 109 19.614 -5.466 4.199 803 H GLY 110 H GLY 110 19.167 -8.265 0.729 804 HA2 GLY 110 HA2 GLY 110 17.236 -9.571 0.648 805 HA3 GLY 110 HA3 GLY 110 16.401 -8.471 1.739 806 H GLY 111 H GLY 111 17.162 -6.051 0.153 807 HA2 GLY 111 HA2 GLY 111 16.751 -4.921 -1.827 808 HA3 GLY 111 HA3 GLY 111 16.008 -6.362 -2.519 809 H THR 112 H THR 112 15.210 -4.785 0.595 810 HA THR 112 HA THR 112 12.576 -3.850 -0.438 811 HB THR 112 HB THR 112 11.641 -4.803 1.792 812 HG1 THR 112 HG1 THR 112 13.824 -5.372 2.599 813 HG21 THR 112 HG21 THR 112 12.496 -6.739 -0.342 814 HG22 THR 112 HG22 THR 112 11.101 -5.649 -0.453 815 HG23 THR 112 HG23 THR 112 11.137 -6.923 0.785 816 H THR 113 H THR 113 15.176 -2.385 0.415 817 HA THR 113 HA THR 113 15.087 -1.253 2.840 818 HB THR 113 HB THR 113 15.450 0.496 0.411 819 HG1 THR 113 HG1 THR 113 17.333 -0.415 -0.052 820 HG21 THR 113 HG21 THR 113 17.085 0.144 2.978 821 HG22 THR 113 HG22 THR 113 15.953 1.457 2.648 822 HG23 THR 113 HG23 THR 113 17.421 1.313 1.685 823 H PHE 114 H PHE 114 12.636 -0.538 0.364 824 HA PHE 114 HA PHE 114 11.647 1.912 1.327 825 HB2 PHE 114 HB2 PHE 114 9.868 1.640 -0.052 826 HB3 PHE 114 HB3 PHE 114 11.020 0.549 -0.816 827 HD1 PHE 114 HD1 PHE 114 7.676 0.887 0.151 828 HD2 PHE 114 HD2 PHE 114 10.879 -2.002 0.234 829 HE1 PHE 114 HE1 PHE 114 6.026 -0.954 0.385 830 HE2 PHE 114 HE2 PHE 114 9.245 -3.814 0.544 831 HZ PHE 114 HZ PHE 114 6.807 -3.305 0.618 832 H GLU 115 H GLU 115 11.448 -1.255 2.837 833 HA GLU 115 HA GLU 115 9.112 -0.986 4.403 834 HB2 GLU 115 HB2 GLU 115 11.724 -2.511 4.810 835 HB3 GLU 115 HB3 GLU 115 10.386 -2.554 5.962 836 HG2 GLU 115 HG2 GLU 115 8.875 -3.256 4.020 837 HG3 GLU 115 HG3 GLU 115 10.330 -3.533 3.079 838 H HIS 116 H HIS 116 12.241 0.651 4.647 839 HA HIS 116 HA HIS 116 12.184 1.304 7.390 840 HB2 HIS 116 HB2 HIS 116 13.902 2.666 6.993 841 HB3 HIS 116 HB3 HIS 116 14.007 1.666 5.543 842 HD1 HIS 116 HD1 HIS 116 13.553 5.205 6.732 843 HD2 HIS 116 HD2 HIS 116 13.142 3.013 3.172 844 HE1 HIS 116 HE1 HIS 116 13.586 6.870 4.825 845 H LEU 117 H LEU 117 10.120 2.550 4.801 846 HA LEU 117 HA LEU 117 9.381 4.998 6.075 847 HB2 LEU 117 HB2 LEU 117 8.030 3.261 4.015 848 HB3 LEU 117 HB3 LEU 117 7.216 4.635 4.740 849 HG LEU 117 HG LEU 117 9.201 6.068 3.980 850 HD11 LEU 117 HD11 LEU 117 10.711 4.156 3.379 851 HD12 LEU 117 HD12 LEU 117 10.479 5.323 2.085 852 HD13 LEU 117 HD13 LEU 117 9.621 3.763 2.031 853 HD21 LEU 117 HD21 LEU 117 8.210 6.360 1.744 854 HD22 LEU 117 HD22 LEU 117 6.938 6.123 2.966 855 HD23 LEU 117 HD23 LEU 117 7.387 4.785 1.887 856 H TRP 118 H TRP 118 8.484 1.630 6.785 857 HA TRP 118 HA TRP 118 6.053 2.282 8.214 858 HB2 TRP 118 HB2 TRP 118 7.877 -0.135 8.525 859 HB3 TRP 118 HB3 TRP 118 6.207 -0.016 9.004 860 HD1 TRP 118 HD1 TRP 118 7.966 -1.793 6.622 861 HE1 TRP 118 HE1 TRP 118 6.571 -2.352 4.523 862 HE3 TRP 118 HE3 TRP 118 4.102 1.437 7.258 863 HZ2 TRP 118 HZ2 TRP 118 4.509 -0.993 2.946 864 HZ3 TRP 118 HZ3 TRP 118 2.326 1.619 5.560 865 HH2 TRP 118 HH2 TRP 118 2.558 0.503 3.356 866 H SER 119 H SER 119 9.496 2.435 8.965 867 HA SER 119 HA SER 119 9.190 2.402 11.835 868 HB2 SER 119 HB2 SER 119 11.562 3.202 10.111 869 HB3 SER 119 HB3 SER 119 11.586 2.696 11.801 870 HG SER 119 HG SER 119 10.637 0.685 11.069 871 H SER 120 H SER 120 8.150 4.674 9.776 872 HA SER 120 HA SER 120 8.556 6.927 11.643 873 HB2 SER 120 HB2 SER 120 8.895 6.989 8.616 874 HB3 SER 120 HB3 SER 120 8.701 8.431 9.631 875 HG SER 120 HG SER 120 10.881 7.992 9.248 876 H LEU 121 H LEU 121 6.420 4.953 11.437 877 HA LEU 121 HA LEU 121 4.127 6.611 10.642 878 HB2 LEU 121 HB2 LEU 121 4.710 4.811 8.894 879 HB3 LEU 121 HB3 LEU 121 4.529 3.624 10.175 880 HG LEU 121 HG LEU 121 2.063 4.349 10.361 881 HD11 LEU 121 HD11 LEU 121 2.472 6.605 9.323 882 HD12 LEU 121 HD12 LEU 121 1.122 5.742 8.672 883 HD13 LEU 121 HD13 LEU 121 2.653 5.774 7.752 884 HD21 LEU 121 HD21 LEU 121 2.753 3.304 7.656 885 HD22 LEU 121 HD22 LEU 121 1.402 2.914 8.770 886 HD23 LEU 121 HD23 LEU 121 3.002 2.354 9.146 887 H GLU 122 H GLU 122 2.119 5.658 11.793 888 HA GLU 122 HA GLU 122 2.378 5.559 14.537 889 HB2 GLU 122 HB2 GLU 122 0.263 4.416 12.647 890 HB3 GLU 122 HB3 GLU 122 0.100 4.407 14.389 891 HG2 GLU 122 HG2 GLU 122 -1.052 6.298 14.014 892 HG3 GLU 122 HG3 GLU 122 0.543 7.017 14.158 893 HA PRO 123 HA PRO 123 4.085 1.318 14.732 894 HB2 PRO 123 HB2 PRO 123 4.707 1.213 17.384 895 HB3 PRO 123 HB3 PRO 123 5.660 2.143 16.192 896 HG2 PRO 123 HG2 PRO 123 3.420 3.171 17.981 897 HG3 PRO 123 HG3 PRO 123 5.084 3.827 17.809 898 HD2 PRO 123 HD2 PRO 123 3.099 4.921 16.409 899 HD3 PRO 123 HD3 PRO 123 4.659 4.607 15.618 900 H ASP 124 H ASP 124 1.169 2.486 15.949 901 HA ASP 124 HA ASP 124 0.326 0.088 17.467 902 HB2 ASP 124 HB2 ASP 124 -1.029 2.652 16.559 903 HB3 ASP 124 HB3 ASP 124 -1.965 1.293 17.160 904 H SER 125 H SER 125 0.236 1.397 14.190 905 HA SER 125 HA SER 125 -0.821 0.813 12.271 906 HB2 SER 125 HB2 SER 125 1.092 -0.903 12.898 907 HB3 SER 125 HB3 SER 125 -0.258 -2.049 13.006 908 HG SER 125 HG SER 125 0.506 -2.063 10.911 909 H THR 126 H THR 126 -2.718 1.074 14.412 910 HA THR 126 HA THR 126 -4.571 -1.014 14.534 911 HB THR 126 HB THR 126 -4.162 0.889 16.085 912 HG1 THR 126 HG1 THR 126 -6.169 -0.494 15.947 913 HG21 THR 126 HG21 THR 126 -5.324 3.004 15.823 914 HG22 THR 126 HG22 THR 126 -6.010 2.490 14.265 915 HG23 THR 126 HG23 THR 126 -4.266 2.747 14.439 916 H TYR 127 H TYR 127 -3.974 0.579 11.748 917 HA TYR 127 HA TYR 127 -6.707 0.103 10.630 918 HB2 TYR 127 HB2 TYR 127 -6.364 2.108 9.218 919 HB3 TYR 127 HB3 TYR 127 -6.445 2.475 10.944 920 HD1 TYR 127 HD1 TYR 127 -4.254 2.396 7.950 921 HD2 TYR 127 HD2 TYR 127 -4.420 3.233 12.200 922 HE1 TYR 127 HE1 TYR 127 -2.114 3.388 7.834 923 HE2 TYR 127 HE2 TYR 127 -2.135 4.188 12.080 924 HH TYR 127 HH TYR 127 -0.383 4.467 8.975 925 H PHE 128 H PHE 128 -3.503 -0.810 10.556 926 HA PHE 128 HA PHE 128 -3.569 -1.954 7.862 927 HB2 PHE 128 HB2 PHE 128 -1.745 0.085 8.931 928 HB3 PHE 128 HB3 PHE 128 -0.870 -1.408 8.744 929 HD1 PHE 128 HD1 PHE 128 0.388 -1.427 6.774 930 HD2 PHE 128 HD2 PHE 128 -3.539 0.321 6.802 931 HE1 PHE 128 HE1 PHE 128 0.609 -0.949 4.354 932 HE2 PHE 128 HE2 PHE 128 -3.326 0.786 4.319 933 HZ PHE 128 HZ PHE 128 -1.242 0.165 3.123 934 H ASP 129 H ASP 129 -1.197 -3.480 8.341 935 HA ASP 129 HA ASP 129 -2.169 -5.170 10.595 936 HB2 ASP 129 HB2 ASP 129 -1.894 -6.066 8.095 937 HB3 ASP 129 HB3 ASP 129 -0.204 -6.238 8.588 938 H LEU 130 H LEU 130 -0.705 -5.563 12.268 939 HA LEU 130 HA LEU 130 1.285 -3.463 12.548 940 HB2 LEU 130 HB2 LEU 130 -0.296 -4.388 14.346 941 HB3 LEU 130 HB3 LEU 130 0.834 -5.743 14.492 942 HG LEU 130 HG LEU 130 1.656 -2.794 14.701 943 HD11 LEU 130 HD11 LEU 130 1.575 -3.015 17.127 944 HD12 LEU 130 HD12 LEU 130 0.913 -4.658 16.986 945 HD13 LEU 130 HD13 LEU 130 -0.017 -3.263 16.423 946 HD21 LEU 130 HD21 LEU 130 3.022 -5.438 15.218 947 HD22 LEU 130 HD22 LEU 130 3.520 -3.980 16.104 948 HD23 LEU 130 HD23 LEU 130 3.608 -3.990 14.367 Start of MODEL 15 1 H1 ALA 1 H ALA 1 -2.107 -17.472 -2.617 2 HA ALA 1 HA ALA 1 -3.074 -19.831 -1.139 3 HB1 ALA 1 HB1 ALA 1 -4.731 -19.047 -2.763 4 HB2 ALA 1 HB2 ALA 1 -3.542 -19.162 -4.071 5 HB3 ALA 1 HB3 ALA 1 -4.072 -20.629 -3.223 6 H THR 2 H THR 2 -1.377 -19.438 -4.371 7 HA THR 2 HA THR 2 0.200 -21.724 -3.983 8 HB THR 2 HB THR 2 1.020 -19.371 -5.720 9 HG1 THR 2 HG1 THR 2 -0.532 -19.999 -7.221 10 HG21 THR 2 HG21 THR 2 1.506 -21.154 -7.353 11 HG22 THR 2 HG22 THR 2 0.846 -22.375 -6.246 12 HG23 THR 2 HG23 THR 2 2.328 -21.485 -5.820 13 H GLN 3 H GLN 3 1.727 -21.912 -2.369 14 HA GLN 3 HA GLN 3 2.987 -19.502 -1.225 15 HB2 GLN 3 HB2 GLN 3 3.821 -21.020 0.469 16 HB3 GLN 3 HB3 GLN 3 2.091 -21.122 0.338 17 HG2 GLN 3 HG2 GLN 3 3.973 -23.161 -0.937 18 HG3 GLN 3 HG3 GLN 3 3.418 -23.262 0.724 19 HE21 GLN 3 HE21 GLN 3 2.842 -25.469 -0.741 20 HE22 GLN 3 HE22 GLN 3 1.115 -25.494 -0.973 21 H SER 4 H SER 4 5.399 -19.359 -0.944 22 HA SER 4 HA SER 4 7.077 -21.120 -2.425 23 HB2 SER 4 HB2 SER 4 7.828 -19.509 -4.129 24 HB3 SER 4 HB3 SER 4 6.134 -19.918 -4.368 25 HG SER 4 HG SER 4 5.520 -17.932 -3.751 26 HA PRO 5 HA PRO 5 9.856 -19.105 0.409 27 HB2 PRO 5 HB2 PRO 5 12.329 -19.650 -0.594 28 HB3 PRO 5 HB3 PRO 5 11.256 -20.936 0.053 29 HG2 PRO 5 HG2 PRO 5 11.657 -20.121 -2.841 30 HG3 PRO 5 HG3 PRO 5 11.669 -21.773 -2.146 31 HD2 PRO 5 HD2 PRO 5 9.463 -20.683 -3.351 32 HD3 PRO 5 HD3 PRO 5 9.327 -21.813 -1.970 33 H GLY 6 H GLY 6 10.912 -17.113 0.679 34 HA2 GLY 6 HA2 GLY 6 11.972 -15.508 -1.490 35 HA3 GLY 6 HA3 GLY 6 10.390 -14.937 -0.914 36 H ASP 7 H ASP 7 10.229 -14.046 1.232 37 HA ASP 7 HA ASP 7 12.279 -14.273 3.221 38 HB2 ASP 7 HB2 ASP 7 13.236 -12.531 1.572 39 HB3 ASP 7 HB3 ASP 7 11.852 -11.532 2.001 40 H SER 8 H SER 8 11.371 -13.321 5.208 41 HA SER 8 HA SER 8 8.583 -13.564 5.471 42 HB2 SER 8 HB2 SER 8 10.415 -13.832 7.195 43 HB3 SER 8 HB3 SER 8 10.479 -12.062 7.313 44 HG SER 8 HG SER 8 8.307 -13.811 7.831 45 H ARG 9 H ARG 9 10.556 -10.520 5.495 46 HA ARG 9 HA ARG 9 8.323 -8.777 5.640 47 HB2 ARG 9 HB2 ARG 9 9.841 -7.082 4.470 48 HB3 ARG 9 HB3 ARG 9 10.356 -7.688 6.035 49 HG2 ARG 9 HG2 ARG 9 12.051 -8.992 5.169 50 HG3 ARG 9 HG3 ARG 9 11.385 -9.051 3.533 51 HD2 ARG 9 HD2 ARG 9 12.018 -6.779 3.088 52 HD3 ARG 9 HD3 ARG 9 12.549 -6.525 4.756 53 HE ARG 9 HE ARG 9 13.942 -7.865 2.578 54 HH11 ARG 9 HH11 ARG 9 13.804 -7.479 6.082 55 HH12 ARG 9 HH12 ARG 9 15.143 -8.504 6.441 56 HH21 ARG 9 HH21 ARG 9 15.944 -9.026 3.014 57 HH22 ARG 9 HH22 ARG 9 16.487 -9.214 4.648 58 H ARG 10 H ARG 10 9.874 -10.204 2.787 59 HA ARG 10 HA ARG 10 8.430 -8.731 0.826 60 HB2 ARG 10 HB2 ARG 10 9.568 -11.548 0.664 61 HB3 ARG 10 HB3 ARG 10 9.010 -10.626 -0.713 62 HG2 ARG 10 HG2 ARG 10 11.254 -9.659 1.132 63 HG3 ARG 10 HG3 ARG 10 11.539 -10.687 -0.255 64 HD2 ARG 10 HD2 ARG 10 10.533 -7.840 -0.167 65 HD3 ARG 10 HD3 ARG 10 12.066 -8.409 -0.814 66 HE ARG 10 HE ARG 10 9.563 -8.180 -2.149 67 HH11 ARG 10 HH11 ARG 10 12.360 -10.458 -2.084 68 HH12 ARG 10 HH12 ARG 10 11.909 -11.203 -3.564 69 HH21 ARG 10 HH21 ARG 10 9.371 -8.919 -4.377 70 HH22 ARG 10 HH22 ARG 10 10.035 -10.482 -4.751 71 H LEU 11 H LEU 11 7.708 -12.005 2.217 72 HA LEU 11 HA LEU 11 5.218 -12.345 0.984 73 HB2 LEU 11 HB2 LEU 11 6.539 -13.404 3.493 74 HB3 LEU 11 HB3 LEU 11 4.801 -13.610 3.323 75 HG LEU 11 HG LEU 11 5.132 -14.680 1.103 76 HD11 LEU 11 HD11 LEU 11 8.069 -14.805 1.888 77 HD12 LEU 11 HD12 LEU 11 7.395 -13.883 0.521 78 HD13 LEU 11 HD13 LEU 11 7.307 -15.645 0.528 79 HD21 LEU 11 HD21 LEU 11 4.721 -15.993 3.121 80 HD22 LEU 11 HD22 LEU 11 6.428 -15.937 3.564 81 HD23 LEU 11 HD23 LEU 11 5.910 -16.842 2.123 82 H SER 12 H SER 12 5.972 -10.766 4.115 83 HA SER 12 HA SER 12 3.326 -10.291 4.977 84 HB2 SER 12 HB2 SER 12 5.361 -10.178 6.361 85 HB3 SER 12 HB3 SER 12 5.940 -8.782 5.446 86 HG SER 12 HG SER 12 3.523 -8.806 6.973 87 H ILE 13 H ILE 13 5.543 -8.099 3.179 88 HA ILE 13 HA ILE 13 3.762 -6.031 2.660 89 HB ILE 13 HB ILE 13 6.250 -7.102 1.313 90 HG12 ILE 13 HG12 ILE 13 5.579 -4.522 2.795 91 HG13 ILE 13 HG13 ILE 13 6.213 -5.986 3.551 92 HG21 ILE 13 HG21 ILE 13 4.605 -4.764 0.355 93 HG22 ILE 13 HG22 ILE 13 6.311 -5.009 -0.079 94 HG23 ILE 13 HG23 ILE 13 5.127 -6.200 -0.566 95 HD11 ILE 13 HD11 ILE 13 7.702 -4.333 1.469 96 HD12 ILE 13 HD12 ILE 13 7.981 -4.387 3.217 97 HD13 ILE 13 HD13 ILE 13 8.279 -5.831 2.241 98 H GLN 14 H GLN 14 4.452 -8.927 0.693 99 HA GLN 14 HA GLN 14 2.693 -8.394 -1.466 100 HB2 GLN 14 HB2 GLN 14 3.717 -10.999 -0.314 101 HB3 GLN 14 HB3 GLN 14 2.689 -10.943 -1.742 102 HG2 GLN 14 HG2 GLN 14 4.273 -9.603 -2.966 103 HG3 GLN 14 HG3 GLN 14 5.215 -9.257 -1.539 104 HE21 GLN 14 HE21 GLN 14 4.816 -11.526 -4.174 105 HE22 GLN 14 HE22 GLN 14 6.142 -12.554 -3.654 106 H ARG 15 H ARG 15 1.970 -10.014 1.677 107 HA ARG 15 HA ARG 15 -0.719 -10.722 0.902 108 HB2 ARG 15 HB2 ARG 15 0.587 -10.287 3.596 109 HB3 ARG 15 HB3 ARG 15 -1.115 -10.747 3.399 110 HG2 ARG 15 HG2 ARG 15 -0.402 -12.788 2.125 111 HG3 ARG 15 HG3 ARG 15 1.286 -12.401 2.523 112 HD2 ARG 15 HD2 ARG 15 -0.989 -12.968 4.458 113 HD3 ARG 15 HD3 ARG 15 0.402 -14.010 4.151 114 HE ARG 15 HE ARG 15 0.311 -11.380 5.540 115 HH11 ARG 15 HH11 ARG 15 1.972 -14.455 5.136 116 HH12 ARG 15 HH12 ARG 15 3.153 -14.147 6.350 117 HH21 ARG 15 HH21 ARG 15 1.950 -10.855 6.992 118 HH22 ARG 15 HH22 ARG 15 3.182 -11.976 7.441 119 H ALA 16 H ALA 16 0.662 -7.972 2.784 120 HA ALA 16 HA ALA 16 -1.728 -6.591 3.246 121 HB1 ALA 16 HB1 ALA 16 0.329 -6.012 4.363 122 HB2 ALA 16 HB2 ALA 16 1.074 -5.484 2.826 123 HB3 ALA 16 HB3 ALA 16 -0.310 -4.590 3.515 124 H ILE 17 H ILE 17 0.486 -6.262 0.439 125 HA ILE 17 HA ILE 17 -0.843 -4.208 -0.914 126 HB ILE 17 HB ILE 17 0.719 -6.630 -1.917 127 HG12 ILE 17 HG12 ILE 17 1.560 -3.712 -2.035 128 HG13 ILE 17 HG13 ILE 17 1.754 -4.646 -0.551 129 HG21 ILE 17 HG21 ILE 17 -0.257 -4.234 -3.487 130 HG22 ILE 17 HG22 ILE 17 0.995 -5.349 -4.083 131 HG23 ILE 17 HG23 ILE 17 -0.668 -5.933 -3.806 132 HD11 ILE 17 HD11 ILE 17 3.177 -6.268 -1.708 133 HD12 ILE 17 HD12 ILE 17 2.963 -5.429 -3.240 134 HD13 ILE 17 HD13 ILE 17 3.794 -4.611 -1.906 135 H GLN 18 H GLN 18 -1.395 -7.743 -1.162 136 HA GLN 18 HA GLN 18 -3.557 -7.557 -3.008 137 HB2 GLN 18 HB2 GLN 18 -2.613 -9.711 -1.134 138 HB3 GLN 18 HB3 GLN 18 -4.002 -9.912 -2.206 139 HG2 GLN 18 HG2 GLN 18 -1.169 -9.228 -3.076 140 HG3 GLN 18 HG3 GLN 18 -1.983 -10.781 -3.258 141 HE21 GLN 18 HE21 GLN 18 -4.262 -10.576 -4.455 142 HE22 GLN 18 HE22 GLN 18 -4.277 -9.483 -5.817 143 H SER 19 H SER 19 -3.417 -7.439 0.525 144 HA SER 19 HA SER 19 -6.215 -7.859 0.947 145 HB2 SER 19 HB2 SER 19 -4.238 -8.135 2.599 146 HB3 SER 19 HB3 SER 19 -4.199 -6.368 2.717 147 HG SER 19 HG SER 19 -6.193 -8.192 3.466 148 H LEU 20 H LEU 20 -4.111 -5.005 0.466 149 HA LEU 20 HA LEU 20 -6.155 -3.093 1.090 150 HB2 LEU 20 HB2 LEU 20 -3.421 -3.045 0.983 151 HB3 LEU 20 HB3 LEU 20 -3.779 -2.270 -0.549 152 HG LEU 20 HG LEU 20 -5.107 -1.443 2.073 153 HD11 LEU 20 HD11 LEU 20 -2.662 -1.297 2.381 154 HD12 LEU 20 HD12 LEU 20 -3.438 0.293 2.356 155 HD13 LEU 20 HD13 LEU 20 -2.538 -0.270 0.943 156 HD21 LEU 20 HD21 LEU 20 -5.447 0.691 0.926 157 HD22 LEU 20 HD22 LEU 20 -6.169 -0.635 0.011 158 HD23 LEU 20 HD23 LEU 20 -4.637 0.036 -0.529 159 H VAL 21 H VAL 21 -4.643 -4.198 -2.004 160 HA VAL 21 HA VAL 21 -6.309 -2.628 -3.644 161 HB VAL 21 HB VAL 21 -4.211 -3.764 -4.359 162 HG11 VAL 21 HG11 VAL 21 -4.105 -6.027 -5.004 163 HG12 VAL 21 HG12 VAL 21 -4.829 -5.990 -3.388 164 HG13 VAL 21 HG13 VAL 21 -5.858 -6.262 -4.800 165 HG21 VAL 21 HG21 VAL 21 -6.692 -4.133 -6.080 166 HG22 VAL 21 HG22 VAL 21 -5.522 -2.795 -6.102 167 HG23 VAL 21 HG23 VAL 21 -5.051 -4.395 -6.659 168 H HIS 22 H HIS 22 -6.868 -5.988 -2.311 169 HA HIS 22 HA HIS 22 -9.239 -6.447 -3.767 170 HB2 HIS 22 HB2 HIS 22 -8.226 -8.253 -2.607 171 HB3 HIS 22 HB3 HIS 22 -8.230 -7.382 -1.064 172 HD1 HIS 22 HD1 HIS 22 -10.827 -8.998 -3.458 173 HD2 HIS 22 HD2 HIS 22 -10.301 -7.608 0.486 174 HE1 HIS 22 HE1 HIS 22 -13.014 -9.442 -2.195 175 H ALA 23 H ALA 23 -8.869 -5.125 -0.398 176 HA ALA 23 HA ALA 23 -11.623 -4.656 -0.042 177 HB1 ALA 23 HB1 ALA 23 -10.761 -3.024 1.752 178 HB2 ALA 23 HB2 ALA 23 -10.335 -4.737 1.885 179 HB3 ALA 23 HB3 ALA 23 -9.143 -3.582 1.277 180 H ALA 24 H ALA 24 -9.198 -2.679 -1.706 181 HA ALA 24 HA ALA 24 -10.719 -0.275 -1.738 182 HB1 ALA 24 HB1 ALA 24 -9.171 0.372 -3.609 183 HB2 ALA 24 HB2 ALA 24 -8.310 -0.251 -2.178 184 HB3 ALA 24 HB3 ALA 24 -8.544 -1.295 -3.590 185 H GLN 25 H GLN 25 -11.166 -3.173 -3.594 186 HA GLN 25 HA GLN 25 -13.174 -1.677 -5.239 187 HB2 GLN 25 HB2 GLN 25 -12.777 -3.299 -7.014 188 HB3 GLN 25 HB3 GLN 25 -11.361 -2.312 -6.671 189 HG2 GLN 25 HG2 GLN 25 -10.259 -4.113 -5.528 190 HG3 GLN 25 HG3 GLN 25 -11.698 -5.113 -5.499 191 HE21 GLN 25 HE21 GLN 25 -8.777 -5.024 -6.927 192 HE22 GLN 25 HE22 GLN 25 -9.131 -5.632 -8.511 193 H CYS 26 H CYS 26 -12.765 -3.993 -2.852 194 HA CYS 26 HA CYS 26 -14.612 -5.998 -3.471 195 HB2 CYS 26 HB2 CYS 26 -12.973 -6.236 -1.744 196 HB3 CYS 26 HB3 CYS 26 -13.687 -4.932 -0.802 197 H ARG 27 H ARG 27 -16.541 -5.739 -4.058 198 HA ARG 27 HA ARG 27 -18.408 -3.799 -2.736 199 HB2 ARG 27 HB2 ARG 27 -19.641 -3.866 -4.907 200 HB3 ARG 27 HB3 ARG 27 -18.016 -3.187 -5.045 201 HG2 ARG 27 HG2 ARG 27 -17.177 -5.267 -6.042 202 HG3 ARG 27 HG3 ARG 27 -18.741 -6.054 -5.810 203 HD2 ARG 27 HD2 ARG 27 -18.692 -5.436 -8.073 204 HD3 ARG 27 HD3 ARG 27 -19.720 -4.220 -7.311 205 HE ARG 27 HE ARG 27 -17.976 -2.624 -7.397 206 HH11 ARG 27 HH11 ARG 27 -17.255 -5.558 -9.345 207 HH12 ARG 27 HH12 ARG 27 -16.052 -4.791 -10.278 208 HH21 ARG 27 HH21 ARG 27 -16.203 -1.645 -8.606 209 HH22 ARG 27 HH22 ARG 27 -15.551 -2.539 -9.930 210 H ASN 28 H ASN 28 -17.833 -7.156 -3.627 211 HA ASN 28 HA ASN 28 -20.470 -8.092 -3.359 212 HB2 ASN 28 HB2 ASN 28 -17.849 -9.563 -2.822 213 HB3 ASN 28 HB3 ASN 28 -19.427 -10.331 -2.951 214 HD21 ASN 28 HD21 ASN 28 -20.715 -9.586 -5.108 215 HD22 ASN 28 HD22 ASN 28 -19.699 -9.286 -6.506 216 H ALA 29 H ALA 29 -21.781 -7.871 -1.632 217 HA ALA 29 HA ALA 29 -20.893 -7.318 0.999 218 HB1 ALA 29 HB1 ALA 29 -23.582 -8.317 -0.010 219 HB2 ALA 29 HB2 ALA 29 -23.273 -7.528 1.558 220 HB3 ALA 29 HB3 ALA 29 -23.063 -6.618 0.067 221 H ASN 30 H ASN 30 -20.658 -10.245 -0.554 222 HA ASN 30 HA ASN 30 -21.354 -12.044 1.667 223 HB2 ASN 30 HB2 ASN 30 -21.609 -12.818 -0.692 224 HB3 ASN 30 HB3 ASN 30 -19.899 -12.504 -0.985 225 HD21 ASN 30 HD21 ASN 30 -22.166 -14.514 1.027 226 HD22 ASN 30 HD22 ASN 30 -20.983 -15.808 1.193 227 H CYS 31 H CYS 31 -18.483 -10.445 0.321 228 HA CYS 31 HA CYS 31 -16.459 -12.060 1.363 229 HB2 CYS 31 HB2 CYS 31 -16.147 -10.230 -0.291 230 HB3 CYS 31 HB3 CYS 31 -16.461 -9.042 0.996 231 H SER 32 H SER 32 -15.896 -12.550 3.329 232 HA SER 32 HA SER 32 -16.240 -10.663 5.606 233 HB2 SER 32 HB2 SER 32 -16.928 -13.627 5.489 234 HB3 SER 32 HB3 SER 32 -16.725 -12.709 6.983 235 HG SER 32 HG SER 32 -18.825 -12.792 6.560 236 H LEU 33 H LEU 33 -14.123 -10.106 5.698 237 HA LEU 33 HA LEU 33 -12.158 -12.147 6.491 238 HB2 LEU 33 HB2 LEU 33 -12.065 -10.594 3.962 239 HB3 LEU 33 HB3 LEU 33 -10.740 -10.186 5.031 240 HG LEU 33 HG LEU 33 -10.325 -12.763 5.213 241 HD11 LEU 33 HD11 LEU 33 -12.335 -13.519 4.005 242 HD12 LEU 33 HD12 LEU 33 -10.900 -13.945 3.079 243 HD13 LEU 33 HD13 LEU 33 -11.894 -12.539 2.600 244 HD21 LEU 33 HD21 LEU 33 -8.903 -12.603 3.159 245 HD22 LEU 33 HD22 LEU 33 -8.763 -11.206 4.219 246 HD23 LEU 33 HD23 LEU 33 -9.737 -11.074 2.741 247 HA PRO 34 HA PRO 34 -12.008 -8.744 9.414 248 HB2 PRO 34 HB2 PRO 34 -9.612 -9.207 10.725 249 HB3 PRO 34 HB3 PRO 34 -11.119 -10.125 11.024 250 HG2 PRO 34 HG2 PRO 34 -8.803 -10.884 9.215 251 HG3 PRO 34 HG3 PRO 34 -9.635 -11.902 10.427 252 HD2 PRO 34 HD2 PRO 34 -10.276 -12.051 7.790 253 HD3 PRO 34 HD3 PRO 34 -11.564 -12.121 9.031 254 H SER 35 H SER 35 -8.952 -9.494 7.667 255 HA SER 35 HA SER 35 -7.867 -6.937 7.669 256 HB2 SER 35 HB2 SER 35 -7.561 -9.064 5.593 257 HB3 SER 35 HB3 SER 35 -6.440 -7.740 5.920 258 HG SER 35 HG SER 35 -6.116 -9.970 6.966 259 H CYS 36 H CYS 36 -10.289 -8.396 5.459 260 HA CYS 36 HA CYS 36 -10.260 -6.313 3.499 261 HB2 CYS 36 HB2 CYS 36 -11.247 -8.555 3.071 262 HB3 CYS 36 HB3 CYS 36 -12.460 -8.249 4.319 263 H GLN 37 H GLN 37 -12.450 -6.925 6.289 264 HA GLN 37 HA GLN 37 -13.898 -4.539 6.099 265 HB2 GLN 37 HB2 GLN 37 -13.190 -6.174 8.580 266 HB3 GLN 37 HB3 GLN 37 -14.325 -4.829 8.531 267 HG2 GLN 37 HG2 GLN 37 -15.295 -6.248 6.461 268 HG3 GLN 37 HG3 GLN 37 -14.609 -7.586 7.380 269 HE21 GLN 37 HE21 GLN 37 -17.488 -7.248 6.920 270 HE22 GLN 37 HE22 GLN 37 -18.171 -6.998 8.524 271 H LYS 38 H LYS 38 -10.853 -5.059 7.886 272 HA LYS 38 HA LYS 38 -10.915 -2.332 8.917 273 HB2 LYS 38 HB2 LYS 38 -8.653 -2.585 9.692 274 HB3 LYS 38 HB3 LYS 38 -9.664 -3.964 10.146 275 HG2 LYS 38 HG2 LYS 38 -8.710 -5.196 8.220 276 HG3 LYS 38 HG3 LYS 38 -7.547 -3.901 7.954 277 HD2 LYS 38 HD2 LYS 38 -7.799 -5.457 10.568 278 HD3 LYS 38 HD3 LYS 38 -6.711 -5.916 9.236 279 HE2 LYS 38 HE2 LYS 38 -5.543 -3.764 9.402 280 HE3 LYS 38 HE3 LYS 38 -6.685 -3.159 10.604 281 HZ1 LYS 38 HZ1 LYS 38 -4.455 -4.027 11.364 282 HZ2 LYS 38 HZ2 LYS 38 -5.025 -5.540 11.157 283 HZ3 LYS 38 HZ3 LYS 38 -5.734 -4.469 12.240 284 H MET 39 H MET 39 -9.133 -3.800 6.105 285 HA MET 39 HA MET 39 -7.896 -1.421 5.267 286 HB2 MET 39 HB2 MET 39 -8.750 -3.897 3.734 287 HB3 MET 39 HB3 MET 39 -7.842 -2.564 3.014 288 HG2 MET 39 HG2 MET 39 -6.859 -4.253 5.337 289 HG3 MET 39 HG3 MET 39 -6.396 -4.416 3.648 290 HE1 MET 39 HE1 MET 39 -4.096 -3.725 3.032 291 HE2 MET 39 HE2 MET 39 -3.039 -2.911 4.200 292 HE3 MET 39 HE3 MET 39 -3.874 -4.414 4.656 293 H LYS 40 H LYS 40 -11.174 -2.655 4.737 294 HA LYS 40 HA LYS 40 -12.063 -1.063 2.709 295 HB2 LYS 40 HB2 LYS 40 -13.287 -2.685 4.738 296 HB3 LYS 40 HB3 LYS 40 -14.075 -1.141 4.857 297 HG2 LYS 40 HG2 LYS 40 -15.438 -2.167 3.372 298 HG3 LYS 40 HG3 LYS 40 -14.344 -1.376 2.218 299 HD2 LYS 40 HD2 LYS 40 -13.045 -3.491 2.029 300 HD3 LYS 40 HD3 LYS 40 -14.078 -4.261 3.233 301 HE2 LYS 40 HE2 LYS 40 -14.950 -3.293 0.476 302 HE3 LYS 40 HE3 LYS 40 -14.668 -4.965 0.986 303 HZ1 LYS 40 HZ1 LYS 40 -16.957 -4.578 1.062 304 HZ2 LYS 40 HZ2 LYS 40 -16.809 -3.181 1.929 305 HZ3 LYS 40 HZ3 LYS 40 -16.474 -4.647 2.622 306 H ARG 41 H ARG 41 -11.641 -0.125 6.145 307 HA ARG 41 HA ARG 41 -12.913 2.507 5.758 308 HB2 ARG 41 HB2 ARG 41 -11.082 1.393 7.937 309 HB3 ARG 41 HB3 ARG 41 -11.838 2.965 7.992 310 HG2 ARG 41 HG2 ARG 41 -13.412 0.338 7.849 311 HG3 ARG 41 HG3 ARG 41 -12.985 1.184 9.345 312 HD2 ARG 41 HD2 ARG 41 -14.759 2.500 9.172 313 HD3 ARG 41 HD3 ARG 41 -14.101 3.157 7.671 314 HE ARG 41 HE ARG 41 -15.625 0.655 7.437 315 HH11 ARG 41 HH11 ARG 41 -15.843 4.211 7.483 316 HH12 ARG 41 HH12 ARG 41 -17.165 4.297 6.364 317 HH21 ARG 41 HH21 ARG 41 -17.561 0.745 6.186 318 HH22 ARG 41 HH22 ARG 41 -18.309 2.261 5.816 319 H VAL 42 H VAL 42 -9.535 1.257 5.858 320 HA VAL 42 HA VAL 42 -8.185 3.659 5.727 321 HB VAL 42 HB VAL 42 -7.347 1.101 4.288 322 HG11 VAL 42 HG11 VAL 42 -5.093 1.785 4.796 323 HG12 VAL 42 HG12 VAL 42 -5.887 3.145 3.986 324 HG13 VAL 42 HG13 VAL 42 -5.684 3.148 5.758 325 HG21 VAL 42 HG21 VAL 42 -7.992 0.399 6.511 326 HG22 VAL 42 HG22 VAL 42 -6.247 0.524 6.464 327 HG23 VAL 42 HG23 VAL 42 -7.217 1.804 7.245 328 H VAL 43 H VAL 43 -9.321 1.648 2.901 329 HA VAL 43 HA VAL 43 -8.323 3.519 1.030 330 HB VAL 43 HB VAL 43 -8.789 1.294 0.349 331 HG11 VAL 43 HG11 VAL 43 -10.955 0.258 0.200 332 HG12 VAL 43 HG12 VAL 43 -10.806 0.866 1.817 333 HG13 VAL 43 HG13 VAL 43 -11.797 1.747 0.630 334 HG21 VAL 43 HG21 VAL 43 -8.898 3.083 -1.341 335 HG22 VAL 43 HG22 VAL 43 -9.970 1.748 -1.769 336 HG23 VAL 43 HG23 VAL 43 -10.649 3.220 -1.092 337 H GLN 44 H GLN 44 -11.596 3.158 2.449 338 HA GLN 44 HA GLN 44 -12.728 5.280 1.013 339 HB2 GLN 44 HB2 GLN 44 -13.454 4.039 3.698 340 HB3 GLN 44 HB3 GLN 44 -14.422 5.285 2.955 341 HG2 GLN 44 HG2 GLN 44 -13.949 2.494 1.929 342 HG3 GLN 44 HG3 GLN 44 -15.476 3.268 2.363 343 HE21 GLN 44 HE21 GLN 44 -16.189 5.148 0.789 344 HE22 GLN 44 HE22 GLN 44 -15.673 4.952 -0.862 345 H HIS 45 H HIS 45 -10.893 5.314 4.018 346 HA HIS 45 HA HIS 45 -11.279 8.034 4.696 347 HB2 HIS 45 HB2 HIS 45 -10.376 6.522 6.329 348 HB3 HIS 45 HB3 HIS 45 -9.083 6.010 5.268 349 HD1 HIS 45 HD1 HIS 45 -10.024 8.921 7.551 350 HD2 HIS 45 HD2 HIS 45 -6.904 7.495 5.081 351 HE1 HIS 45 HE1 HIS 45 -8.014 10.441 7.952 352 H THR 46 H THR 46 -8.572 6.442 2.870 353 HA THR 46 HA THR 46 -7.262 8.853 2.211 354 HB THR 46 HB THR 46 -6.097 7.489 0.496 355 HG1 THR 46 HG1 THR 46 -8.240 5.804 0.933 356 HG21 THR 46 HG21 THR 46 -5.416 7.564 2.905 357 HG22 THR 46 HG22 THR 46 -4.995 6.044 2.114 358 HG23 THR 46 HG23 THR 46 -6.391 6.099 3.192 359 H LYS 47 H LYS 47 -9.889 7.209 0.433 360 HA LYS 47 HA LYS 47 -9.790 8.670 -1.967 361 HB2 LYS 47 HB2 LYS 47 -12.027 7.385 -0.370 362 HB3 LYS 47 HB3 LYS 47 -12.336 8.174 -1.893 363 HG2 LYS 47 HG2 LYS 47 -10.960 6.647 -3.131 364 HG3 LYS 47 HG3 LYS 47 -10.405 5.850 -1.648 365 HD2 LYS 47 HD2 LYS 47 -12.609 5.118 -1.112 366 HD3 LYS 47 HD3 LYS 47 -13.363 6.123 -2.351 367 HE2 LYS 47 HE2 LYS 47 -12.232 4.793 -4.115 368 HE3 LYS 47 HE3 LYS 47 -11.530 3.747 -2.865 369 HZ1 LYS 47 HZ1 LYS 47 -14.436 4.107 -3.268 370 HZ2 LYS 47 HZ2 LYS 47 -13.718 3.039 -2.267 371 HZ3 LYS 47 HZ3 LYS 47 -13.564 2.877 -3.921 372 H GLY 48 H GLY 48 -10.795 9.792 1.172 373 HA2 GLY 48 HA2 GLY 48 -11.970 12.280 -0.034 374 HA3 GLY 48 HA3 GLY 48 -12.482 11.573 1.489 375 H CYS 49 H CYS 49 -8.998 11.323 1.149 376 HA CYS 49 HA CYS 49 -8.800 13.411 3.204 377 HB2 CYS 49 HB2 CYS 49 -7.415 10.936 2.548 378 HB3 CYS 49 HB3 CYS 49 -6.285 12.247 2.599 379 H LYS 50 H LYS 50 -9.057 15.293 2.177 380 HA LYS 50 HA LYS 50 -7.215 16.006 -0.059 381 HB2 LYS 50 HB2 LYS 50 -9.443 17.596 1.227 382 HB3 LYS 50 HB3 LYS 50 -8.589 18.001 -0.270 383 HG2 LYS 50 HG2 LYS 50 -10.323 15.498 0.125 384 HG3 LYS 50 HG3 LYS 50 -10.850 16.956 -0.673 385 HD2 LYS 50 HD2 LYS 50 -9.124 16.660 -2.421 386 HD3 LYS 50 HD3 LYS 50 -8.587 15.154 -1.628 387 HE2 LYS 50 HE2 LYS 50 -10.812 14.163 -1.885 388 HE3 LYS 50 HE3 LYS 50 -11.450 15.677 -2.512 389 HZ1 LYS 50 HZ1 LYS 50 -9.394 14.066 -3.890 390 HZ2 LYS 50 HZ2 LYS 50 -10.094 15.433 -4.458 391 HZ3 LYS 50 HZ3 LYS 50 -11.014 14.103 -4.251 392 H ARG 51 H ARG 51 -7.139 16.017 3.256 393 HA ARG 51 HA ARG 51 -5.767 18.504 3.773 394 HB2 ARG 51 HB2 ARG 51 -6.912 17.146 5.542 395 HB3 ARG 51 HB3 ARG 51 -5.660 15.909 5.391 396 HG2 ARG 51 HG2 ARG 51 -3.951 17.463 6.159 397 HG3 ARG 51 HG3 ARG 51 -5.087 18.814 6.111 398 HD2 ARG 51 HD2 ARG 51 -4.726 18.217 8.362 399 HD3 ARG 51 HD3 ARG 51 -6.363 17.676 7.971 400 HE ARG 51 HE ARG 51 -3.966 16.138 8.621 401 HH11 ARG 51 HH11 ARG 51 -7.330 15.951 7.422 402 HH12 ARG 51 HH12 ARG 51 -7.530 14.279 7.822 403 HH21 ARG 51 HH21 ARG 51 -4.359 14.090 9.444 404 HH22 ARG 51 HH22 ARG 51 -5.818 13.198 9.121 405 H LYS 52 H LYS 52 -4.735 15.630 2.175 406 HA LYS 52 HA LYS 52 -2.113 15.302 2.834 407 HB2 LYS 52 HB2 LYS 52 -3.585 15.098 0.190 408 HB3 LYS 52 HB3 LYS 52 -1.834 14.821 0.231 409 HG2 LYS 52 HG2 LYS 52 -1.973 12.981 1.611 410 HG3 LYS 52 HG3 LYS 52 -3.540 13.443 2.271 411 HD2 LYS 52 HD2 LYS 52 -4.039 11.572 0.959 412 HD3 LYS 52 HD3 LYS 52 -4.608 12.955 0.067 413 HE2 LYS 52 HE2 LYS 52 -3.670 11.304 -1.369 414 HE3 LYS 52 HE3 LYS 52 -2.802 12.844 -1.483 415 HZ1 LYS 52 HZ1 LYS 52 -1.083 11.879 -0.023 416 HZ2 LYS 52 HZ2 LYS 52 -1.225 11.128 -1.460 417 HZ3 LYS 52 HZ3 LYS 52 -1.815 10.403 -0.094 418 H THR 53 H THR 53 -3.365 18.045 0.873 419 HA THR 53 HA THR 53 -0.916 19.144 0.094 420 HB THR 53 HB THR 53 -3.507 20.569 0.833 421 HG1 THR 53 HG1 THR 53 -2.897 19.351 -1.628 422 HG21 THR 53 HG21 THR 53 -1.432 21.175 -1.313 423 HG22 THR 53 HG22 THR 53 -1.718 22.111 0.171 424 HG23 THR 53 HG23 THR 53 -2.975 22.040 -1.076 425 H ASN 54 H ASN 54 -2.950 19.909 2.965 426 HA ASN 54 HA ASN 54 -1.031 21.775 4.092 427 HB2 ASN 54 HB2 ASN 54 -3.729 20.686 4.980 428 HB3 ASN 54 HB3 ASN 54 -2.732 21.665 6.046 429 HD21 ASN 54 HD21 ASN 54 -5.189 21.969 3.621 430 HD22 ASN 54 HD22 ASN 54 -4.776 23.621 3.195 431 H GLY 55 H GLY 55 -1.470 18.360 4.397 432 HA2 GLY 55 HA2 GLY 55 0.678 17.385 5.468 433 HA3 GLY 55 HA3 GLY 55 0.156 18.280 6.911 434 H GLY 56 H GLY 56 -0.783 15.824 4.554 435 HA2 GLY 56 HA2 GLY 56 -3.258 15.098 5.927 436 HA3 GLY 56 HA3 GLY 56 -2.457 14.209 4.607 437 H CYS 57 H CYS 57 -3.541 13.057 6.751 438 HA CYS 57 HA CYS 57 -1.864 12.292 8.908 439 HB2 CYS 57 HB2 CYS 57 -3.329 10.355 9.133 440 HB3 CYS 57 HB3 CYS 57 -4.250 11.762 8.731 441 HA PRO 58 HA PRO 58 1.245 9.660 7.216 442 HB2 PRO 58 HB2 PRO 58 1.452 7.407 8.729 443 HB3 PRO 58 HB3 PRO 58 1.950 9.023 9.290 444 HG2 PRO 58 HG2 PRO 58 -0.679 7.593 9.824 445 HG3 PRO 58 HG3 PRO 58 0.376 8.415 11.008 446 HD2 PRO 58 HD2 PRO 58 -1.757 9.647 9.976 447 HD3 PRO 58 HD3 PRO 58 -0.252 10.553 10.228 448 H ILE 59 H ILE 59 -1.849 7.953 7.776 449 HA ILE 59 HA ILE 59 -1.548 5.730 6.143 450 HB ILE 59 HB ILE 59 -4.065 7.409 6.511 451 HG12 ILE 59 HG12 ILE 59 -2.897 5.147 8.196 452 HG13 ILE 59 HG13 ILE 59 -3.119 6.829 8.689 453 HG21 ILE 59 HG21 ILE 59 -5.330 5.427 5.974 454 HG22 ILE 59 HG22 ILE 59 -4.183 5.679 4.666 455 HG23 ILE 59 HG23 ILE 59 -3.836 4.449 5.887 456 HD11 ILE 59 HD11 ILE 59 -5.621 6.510 8.395 457 HD12 ILE 59 HD12 ILE 59 -5.293 4.767 8.218 458 HD13 ILE 59 HD13 ILE 59 -4.859 5.599 9.717 459 H CYS 60 H CYS 60 -2.615 9.035 5.209 460 HA CYS 60 HA CYS 60 -3.095 8.614 2.517 461 HB2 CYS 60 HB2 CYS 60 -2.118 10.972 4.155 462 HB3 CYS 60 HB3 CYS 60 -2.361 11.089 2.412 463 H LYS 61 H LYS 61 0.096 9.060 4.030 464 HA LYS 61 HA LYS 61 1.354 9.246 1.332 465 HB2 LYS 61 HB2 LYS 61 3.451 9.638 2.318 466 HB3 LYS 61 HB3 LYS 61 2.293 10.805 2.930 467 HG2 LYS 61 HG2 LYS 61 2.176 9.659 5.070 468 HG3 LYS 61 HG3 LYS 61 3.229 8.358 4.501 469 HD2 LYS 61 HD2 LYS 61 4.062 11.274 4.739 470 HD3 LYS 61 HD3 LYS 61 4.371 10.002 5.935 471 HE2 LYS 61 HE2 LYS 61 5.673 8.713 4.294 472 HE3 LYS 61 HE3 LYS 61 5.394 9.961 3.067 473 HZ1 LYS 61 HZ1 LYS 61 6.862 10.366 5.600 474 HZ2 LYS 61 HZ2 LYS 61 6.614 11.506 4.433 475 HZ3 LYS 61 HZ3 LYS 61 7.529 10.175 4.099 476 H GLN 62 H GLN 62 1.205 7.122 4.199 477 HA GLN 62 HA GLN 62 2.906 5.065 3.417 478 HB2 GLN 62 HB2 GLN 62 0.306 5.110 4.945 479 HB3 GLN 62 HB3 GLN 62 1.253 3.645 4.788 480 HG2 GLN 62 HG2 GLN 62 3.037 4.497 6.134 481 HG3 GLN 62 HG3 GLN 62 2.364 6.133 6.140 482 HE21 GLN 62 HE21 GLN 62 2.643 5.340 8.823 483 HE22 GLN 62 HE22 GLN 62 1.136 4.622 9.340 484 H LEU 63 H LEU 63 -0.630 5.404 2.672 485 HA LEU 63 HA LEU 63 -1.125 3.037 1.458 486 HB2 LEU 63 HB2 LEU 63 -2.845 4.672 1.812 487 HB3 LEU 63 HB3 LEU 63 -2.132 5.764 0.617 488 HG LEU 63 HG LEU 63 -2.644 4.194 -1.210 489 HD11 LEU 63 HD11 LEU 63 -3.748 2.417 1.013 490 HD12 LEU 63 HD12 LEU 63 -2.486 1.999 -0.167 491 HD13 LEU 63 HD13 LEU 63 -4.158 2.220 -0.705 492 HD21 LEU 63 HD21 LEU 63 -4.422 5.805 -0.346 493 HD22 LEU 63 HD22 LEU 63 -5.136 4.424 0.497 494 HD23 LEU 63 HD23 LEU 63 -5.017 4.420 -1.268 495 H ILE 64 H ILE 64 0.345 5.829 -0.155 496 HA ILE 64 HA ILE 64 0.423 4.777 -2.744 497 HB ILE 64 HB ILE 64 1.819 7.023 -1.314 498 HG12 ILE 64 HG12 ILE 64 0.051 7.007 -3.816 499 HG13 ILE 64 HG13 ILE 64 -0.576 6.941 -2.158 500 HG21 ILE 64 HG21 ILE 64 3.606 6.420 -2.777 501 HG22 ILE 64 HG22 ILE 64 2.507 6.163 -4.140 502 HG23 ILE 64 HG23 ILE 64 2.791 7.793 -3.506 503 HD11 ILE 64 HD11 ILE 64 -0.750 9.157 -2.872 504 HD12 ILE 64 HD12 ILE 64 0.465 9.071 -1.588 505 HD13 ILE 64 HD13 ILE 64 0.979 9.251 -3.286 506 H ALA 65 H ALA 65 2.633 4.220 -0.024 507 HA ALA 65 HA ALA 65 4.891 3.291 -1.429 508 HB1 ALA 65 HB1 ALA 65 4.776 3.812 1.018 509 HB2 ALA 65 HB2 ALA 65 3.838 2.314 1.262 510 HB3 ALA 65 HB3 ALA 65 5.482 2.229 0.670 511 H LEU 66 H LEU 66 2.123 1.402 -0.124 512 HA LEU 66 HA LEU 66 3.095 -1.044 -1.424 513 HB2 LEU 66 HB2 LEU 66 0.435 -0.535 -0.040 514 HB3 LEU 66 HB3 LEU 66 0.939 -2.066 -0.694 515 HG LEU 66 HG LEU 66 2.297 -0.594 1.573 516 HD11 LEU 66 HD11 LEU 66 1.432 -2.420 2.942 517 HD12 LEU 66 HD12 LEU 66 0.687 -3.181 1.518 518 HD13 LEU 66 HD13 LEU 66 0.102 -1.609 2.116 519 HD21 LEU 66 HD21 LEU 66 3.575 -2.747 1.884 520 HD22 LEU 66 HD22 LEU 66 4.051 -1.779 0.480 521 HD23 LEU 66 HD23 LEU 66 3.039 -3.206 0.263 522 H ALA 67 H ALA 67 0.572 1.401 -2.131 523 HA ALA 67 HA ALA 67 -0.718 0.030 -4.196 524 HB1 ALA 67 HB1 ALA 67 -1.537 2.129 -3.230 525 HB2 ALA 67 HB2 ALA 67 -0.166 3.001 -3.922 526 HB3 ALA 67 HB3 ALA 67 -1.392 2.275 -5.001 527 H ALA 68 H ALA 68 2.349 1.883 -4.323 528 HA ALA 68 HA ALA 68 2.703 1.838 -7.134 529 HB1 ALA 68 HB1 ALA 68 4.810 1.724 -4.918 530 HB2 ALA 68 HB2 ALA 68 5.097 2.187 -6.603 531 HB3 ALA 68 HB3 ALA 68 4.065 3.206 -5.586 532 H TYR 69 H TYR 69 3.248 -0.677 -4.700 533 HA TYR 69 HA TYR 69 4.836 -2.402 -6.442 534 HB2 TYR 69 HB2 TYR 69 3.692 -2.562 -3.647 535 HB3 TYR 69 HB3 TYR 69 4.057 -4.037 -4.515 536 HD1 TYR 69 HD1 TYR 69 6.110 -0.963 -5.014 537 HD2 TYR 69 HD2 TYR 69 5.703 -4.759 -3.021 538 HE1 TYR 69 HE1 TYR 69 8.479 -0.859 -4.423 539 HE2 TYR 69 HE2 TYR 69 8.123 -4.650 -2.363 540 HH TYR 69 HH TYR 69 10.289 -1.944 -3.324 541 H HIS 70 H HIS 70 1.403 -1.922 -5.679 542 HA HIS 70 HA HIS 70 0.625 -4.435 -6.982 543 HB2 HIS 70 HB2 HIS 70 -1.015 -3.899 -5.472 544 HB3 HIS 70 HB3 HIS 70 -0.783 -2.152 -5.644 545 HD1 HIS 70 HD1 HIS 70 -2.363 -5.110 -7.647 546 HD2 HIS 70 HD2 HIS 70 -2.208 -0.916 -7.373 547 HE1 HIS 70 HE1 HIS 70 -4.088 -4.223 -9.285 548 H ALA 71 H ALA 71 0.812 -0.920 -7.764 549 HA ALA 71 HA ALA 71 -0.352 -0.884 -10.249 550 HB1 ALA 71 HB1 ALA 71 2.125 0.655 -9.310 551 HB2 ALA 71 HB2 ALA 71 1.100 1.102 -10.673 552 HB3 ALA 71 HB3 ALA 71 0.437 1.135 -9.034 553 H LYS 72 H LYS 72 3.133 -1.614 -9.668 554 HA LYS 72 HA LYS 72 3.579 -2.059 -12.444 555 HB2 LYS 72 HB2 LYS 72 5.690 -3.085 -11.844 556 HB3 LYS 72 HB3 LYS 72 5.443 -1.556 -11.007 557 HG2 LYS 72 HG2 LYS 72 5.139 -2.600 -8.911 558 HG3 LYS 72 HG3 LYS 72 4.795 -4.182 -9.605 559 HD2 LYS 72 HD2 LYS 72 7.001 -4.630 -10.145 560 HD3 LYS 72 HD3 LYS 72 7.482 -2.947 -10.174 561 HE2 LYS 72 HE2 LYS 72 6.674 -4.265 -7.565 562 HE3 LYS 72 HE3 LYS 72 8.285 -4.472 -8.252 563 HZ1 LYS 72 HZ1 LYS 72 7.122 -1.883 -7.446 564 HZ2 LYS 72 HZ2 LYS 72 8.493 -2.042 -8.334 565 HZ3 LYS 72 HZ3 LYS 72 8.427 -2.684 -6.818 566 H HIS 73 H HIS 73 1.773 -4.032 -10.367 567 HA HIS 73 HA HIS 73 2.076 -6.410 -12.118 568 HB2 HIS 73 HB2 HIS 73 1.657 -6.361 -9.100 569 HB3 HIS 73 HB3 HIS 73 1.679 -7.787 -10.136 570 HD1 HIS 73 HD1 HIS 73 3.732 -7.386 -7.683 571 HD2 HIS 73 HD2 HIS 73 4.431 -6.727 -11.778 572 HE1 HIS 73 HE1 HIS 73 6.263 -7.523 -8.031 573 H CYS 74 H CYS 74 0.171 -4.090 -12.215 574 HA CYS 74 HA CYS 74 -2.312 -5.094 -11.080 575 HB2 CYS 74 HB2 CYS 74 -1.698 -2.638 -11.525 576 HB3 CYS 74 HB3 CYS 74 -2.190 -2.926 -13.190 577 H GLN 75 H GLN 75 -4.196 -5.511 -12.511 578 HA GLN 75 HA GLN 75 -3.503 -7.693 -14.338 579 HB2 GLN 75 HB2 GLN 75 -5.446 -7.719 -12.733 580 HB3 GLN 75 HB3 GLN 75 -6.254 -6.512 -13.742 581 HG2 GLN 75 HG2 GLN 75 -6.282 -8.055 -15.619 582 HG3 GLN 75 HG3 GLN 75 -5.328 -9.245 -14.726 583 HE21 GLN 75 HE21 GLN 75 -8.495 -8.507 -15.632 584 HE22 GLN 75 HE22 GLN 75 -9.351 -9.356 -14.369 585 H GLU 76 H GLU 76 -4.458 -4.320 -14.656 586 HA GLU 76 HA GLU 76 -3.961 -4.395 -17.539 587 HB2 GLU 76 HB2 GLU 76 -6.599 -3.723 -16.172 588 HB3 GLU 76 HB3 GLU 76 -6.159 -2.817 -17.617 589 HG2 GLU 76 HG2 GLU 76 -6.539 -5.802 -17.417 590 HG3 GLU 76 HG3 GLU 76 -7.550 -4.641 -18.297 591 H ASN 77 H ASN 77 -4.556 -1.904 -18.223 592 HA ASN 77 HA ASN 77 -2.435 -0.372 -16.838 593 HB2 ASN 77 HB2 ASN 77 -2.514 1.090 -18.721 594 HB3 ASN 77 HB3 ASN 77 -2.389 -0.558 -19.322 595 HD21 ASN 77 HD21 ASN 77 -3.259 1.588 -20.956 596 HD22 ASN 77 HD22 ASN 77 -4.899 1.308 -21.387 597 H LYS 78 H LYS 78 -5.917 -0.498 -17.181 598 HA LYS 78 HA LYS 78 -6.263 2.156 -15.866 599 HB2 LYS 78 HB2 LYS 78 -7.341 1.806 -18.038 600 HB3 LYS 78 HB3 LYS 78 -8.155 0.375 -17.438 601 HG2 LYS 78 HG2 LYS 78 -9.390 1.885 -15.774 602 HG3 LYS 78 HG3 LYS 78 -8.594 3.260 -16.554 603 HD2 LYS 78 HD2 LYS 78 -10.775 3.063 -17.538 604 HD3 LYS 78 HD3 LYS 78 -9.615 2.509 -18.755 605 HE2 LYS 78 HE2 LYS 78 -10.093 0.117 -17.983 606 HE3 LYS 78 HE3 LYS 78 -11.346 0.779 -16.925 607 HZ1 LYS 78 HZ1 LYS 78 -11.300 0.827 -19.877 608 HZ2 LYS 78 HZ2 LYS 78 -12.401 1.675 -18.966 609 HZ3 LYS 78 HZ3 LYS 78 -12.368 0.056 -18.898 610 H CYS 79 H CYS 79 -5.265 1.047 -14.028 611 HA CYS 79 HA CYS 79 -6.064 -1.101 -12.626 612 HB2 CYS 79 HB2 CYS 79 -5.135 1.639 -11.683 613 HB3 CYS 79 HB3 CYS 79 -5.093 0.217 -10.679 614 HA PRO 80 HA PRO 80 -10.134 0.012 -11.177 615 HB2 PRO 80 HB2 PRO 80 -10.402 -1.895 -9.116 616 HB3 PRO 80 HB3 PRO 80 -10.725 -2.159 -10.865 617 HG2 PRO 80 HG2 PRO 80 -8.238 -2.811 -9.290 618 HG3 PRO 80 HG3 PRO 80 -9.088 -3.809 -10.514 619 HD2 PRO 80 HD2 PRO 80 -6.894 -2.393 -11.192 620 HD3 PRO 80 HD3 PRO 80 -8.281 -2.478 -12.298 621 H VAL 81 H VAL 81 -7.322 0.099 -9.042 622 HA VAL 81 HA VAL 81 -8.811 1.528 -6.949 623 HB VAL 81 HB VAL 81 -5.901 0.631 -7.146 624 HG11 VAL 81 HG11 VAL 81 -5.773 1.080 -4.732 625 HG12 VAL 81 HG12 VAL 81 -6.078 2.566 -5.625 626 HG13 VAL 81 HG13 VAL 81 -7.408 1.763 -4.744 627 HG21 VAL 81 HG21 VAL 81 -7.329 -1.311 -6.955 628 HG22 VAL 81 HG22 VAL 81 -6.721 -0.991 -5.333 629 HG23 VAL 81 HG23 VAL 81 -8.371 -0.514 -5.777 630 HA PRO 82 HA PRO 82 -7.799 5.415 -8.907 631 HB2 PRO 82 HB2 PRO 82 -8.183 7.147 -6.761 632 HB3 PRO 82 HB3 PRO 82 -9.480 6.477 -7.805 633 HG2 PRO 82 HG2 PRO 82 -8.572 5.586 -5.072 634 HG3 PRO 82 HG3 PRO 82 -10.238 5.648 -5.736 635 HD2 PRO 82 HD2 PRO 82 -8.765 3.348 -5.553 636 HD3 PRO 82 HD3 PRO 82 -9.963 3.579 -6.831 637 H PHE 83 H PHE 83 -6.164 4.669 -5.829 638 HA PHE 83 HA PHE 83 -4.174 6.770 -6.153 639 HB2 PHE 83 HB2 PHE 83 -4.730 4.541 -4.228 640 HB3 PHE 83 HB3 PHE 83 -3.057 5.021 -4.414 641 HD1 PHE 83 HD1 PHE 83 -6.272 7.077 -4.336 642 HD2 PHE 83 HD2 PHE 83 -2.421 6.221 -2.628 643 HE1 PHE 83 HE1 PHE 83 -6.610 8.873 -2.634 644 HE2 PHE 83 HE2 PHE 83 -2.698 8.100 -1.006 645 HZ PHE 83 HZ PHE 83 -4.807 9.447 -1.009 646 H CYS 84 H CYS 84 -4.419 3.341 -7.039 647 HA CYS 84 HA CYS 84 -1.727 2.781 -7.640 648 HB2 CYS 84 HB2 CYS 84 -3.517 1.098 -7.426 649 HB3 CYS 84 HB3 CYS 84 -4.366 1.769 -8.842 650 H LEU 85 H LEU 85 -4.368 3.688 -9.892 651 HA LEU 85 HA LEU 85 -2.649 4.129 -12.080 652 HB2 LEU 85 HB2 LEU 85 -4.503 5.247 -13.203 653 HB3 LEU 85 HB3 LEU 85 -4.947 3.734 -12.449 654 HG LEU 85 HG LEU 85 -5.808 5.274 -10.470 655 HD11 LEU 85 HD11 LEU 85 -5.973 7.179 -12.853 656 HD12 LEU 85 HD12 LEU 85 -4.992 7.448 -11.414 657 HD13 LEU 85 HD13 LEU 85 -6.742 7.399 -11.263 658 HD21 LEU 85 HD21 LEU 85 -7.250 3.838 -11.750 659 HD22 LEU 85 HD22 LEU 85 -7.234 4.944 -13.134 660 HD23 LEU 85 HD23 LEU 85 -8.024 5.419 -11.613 661 H ASN 86 H ASN 86 -3.509 6.357 -9.460 662 HA ASN 86 HA ASN 86 -2.512 8.695 -10.767 663 HB2 ASN 86 HB2 ASN 86 -3.913 8.766 -8.661 664 HB3 ASN 86 HB3 ASN 86 -2.492 8.201 -7.765 665 HD21 ASN 86 HD21 ASN 86 -3.344 10.743 -10.237 666 HD22 ASN 86 HD22 ASN 86 -2.108 11.837 -9.720 667 H ILE 87 H ILE 87 -0.849 6.211 -8.708 668 HA ILE 87 HA ILE 87 1.656 7.565 -8.592 669 HB ILE 87 HB ILE 87 0.824 4.645 -8.478 670 HG12 ILE 87 HG12 ILE 87 1.870 6.421 -6.244 671 HG13 ILE 87 HG13 ILE 87 0.167 6.457 -6.688 672 HG21 ILE 87 HG21 ILE 87 3.082 4.198 -7.501 673 HG22 ILE 87 HG22 ILE 87 3.129 4.603 -9.212 674 HG23 ILE 87 HG23 ILE 87 3.577 5.827 -7.995 675 HD11 ILE 87 HD11 ILE 87 1.660 4.040 -5.668 676 HD12 ILE 87 HD12 ILE 87 0.331 4.942 -4.911 677 HD13 ILE 87 HD13 ILE 87 0.015 3.985 -6.361 678 H LYS 88 H LYS 88 0.276 5.215 -10.982 679 HA LYS 88 HA LYS 88 2.627 5.191 -12.553 680 HB2 LYS 88 HB2 LYS 88 0.308 3.745 -12.582 681 HB3 LYS 88 HB3 LYS 88 0.022 4.808 -13.963 682 HG2 LYS 88 HG2 LYS 88 1.082 2.906 -14.842 683 HG3 LYS 88 HG3 LYS 88 2.348 4.138 -14.810 684 HD2 LYS 88 HD2 LYS 88 3.207 3.131 -12.646 685 HD3 LYS 88 HD3 LYS 88 1.946 1.910 -12.748 686 HE2 LYS 88 HE2 LYS 88 4.215 2.352 -14.742 687 HE3 LYS 88 HE3 LYS 88 4.082 1.024 -13.581 688 HZ1 LYS 88 HZ1 LYS 88 2.326 1.504 -15.903 689 HZ2 LYS 88 HZ2 LYS 88 2.013 0.368 -14.775 690 HZ3 LYS 88 HZ3 LYS 88 3.360 0.251 -15.707 691 H GLN 89 H GLN 89 -0.100 7.516 -12.628 692 HA GLN 89 HA GLN 89 0.700 8.826 -15.040 693 HB2 GLN 89 HB2 GLN 89 -0.665 9.928 -12.529 694 HB3 GLN 89 HB3 GLN 89 -0.417 10.871 -13.985 695 HG2 GLN 89 HG2 GLN 89 -2.040 8.304 -13.913 696 HG3 GLN 89 HG3 GLN 89 -2.702 9.915 -13.751 697 HE21 GLN 89 HE21 GLN 89 -1.568 7.550 -16.044 698 HE22 GLN 89 HE22 GLN 89 -1.543 8.584 -17.465 699 H LYS 90 H LYS 90 1.982 8.967 -11.754 700 HA LYS 90 HA LYS 90 3.688 11.288 -12.319 701 HB2 LYS 90 HB2 LYS 90 3.464 9.454 -9.907 702 HB3 LYS 90 HB3 LYS 90 4.520 10.862 -10.007 703 HG2 LYS 90 HG2 LYS 90 2.601 12.344 -10.392 704 HG3 LYS 90 HG3 LYS 90 1.476 10.978 -10.324 705 HD2 LYS 90 HD2 LYS 90 3.268 11.906 -8.043 706 HD3 LYS 90 HD3 LYS 90 1.544 12.276 -8.238 707 HE2 LYS 90 HE2 LYS 90 0.973 9.891 -8.134 708 HE3 LYS 90 HE3 LYS 90 2.690 9.455 -7.948 709 HZ1 LYS 90 HZ1 LYS 90 2.738 10.424 -5.832 710 HZ2 LYS 90 HZ2 LYS 90 1.302 9.631 -5.885 711 HZ3 LYS 90 HZ3 LYS 90 1.320 11.257 -6.071 712 H GLY 91 H GLY 91 3.828 7.881 -12.741 713 HA2 GLY 91 HA2 GLY 91 5.439 6.744 -13.939 714 HA3 GLY 91 HA3 GLY 91 6.660 7.951 -13.536 715 H GLY 92 H GLY 92 5.538 7.666 -10.589 716 HA2 GLY 92 HA2 GLY 92 6.155 6.588 -8.672 717 HA3 GLY 92 HA3 GLY 92 6.009 5.093 -9.606 718 H SER 93 H SER 93 8.444 7.063 -10.986 719 HA SER 93 HA SER 93 10.558 5.348 -10.380 720 HB2 SER 93 HB2 SER 93 11.755 7.318 -11.638 721 HB3 SER 93 HB3 SER 93 10.598 6.257 -12.451 722 HG SER 93 HG SER 93 9.619 8.007 -12.960 723 H GLY 94 H GLY 94 9.388 7.558 -8.149 724 HA2 GLY 94 HA2 GLY 94 10.240 8.160 -6.127 725 HA3 GLY 94 HA3 GLY 94 11.782 7.400 -6.547 726 H GLY 95 H GLY 95 12.316 8.997 -8.927 727 HA2 GLY 95 HA2 GLY 95 12.506 11.389 -9.487 728 HA3 GLY 95 HA3 GLY 95 12.643 11.755 -7.772 729 H GLY 96 H GLY 96 14.314 9.672 -10.217 730 HA2 GLY 96 HA2 GLY 96 16.479 9.357 -10.710 731 HA3 GLY 96 HA3 GLY 96 16.847 10.858 -9.876 732 H THR 97 H THR 97 15.820 9.615 -7.221 733 HA THR 97 HA THR 97 18.291 8.607 -6.265 734 HB THR 97 HB THR 97 16.783 7.978 -4.267 735 HG1 THR 97 HG1 THR 97 14.766 9.588 -5.077 736 HG21 THR 97 HG21 THR 97 16.403 10.326 -3.620 737 HG22 THR 97 HG22 THR 97 16.666 10.858 -5.303 738 HG23 THR 97 HG23 THR 97 17.987 10.136 -4.362 739 H GLY 98 H GLY 98 15.191 6.897 -6.694 740 HA2 GLY 98 HA2 GLY 98 14.728 4.756 -7.457 741 HA3 GLY 98 HA3 GLY 98 16.415 4.570 -7.936 742 H GLY 99 H GLY 99 14.955 5.334 -4.744 743 HA2 GLY 99 HA2 GLY 99 14.768 4.095 -2.850 744 HA3 GLY 99 HA3 GLY 99 15.548 2.720 -3.631 745 H GLY 100 H GLY 100 17.984 3.116 -4.109 746 HA2 GLY 100 HA2 GLY 100 20.045 4.219 -3.380 747 HA3 GLY 100 HA3 GLY 100 19.294 4.550 -1.816 748 H SER 101 H SER 101 18.565 1.489 -3.251 749 HA SER 101 HA SER 101 19.501 -0.096 -1.132 750 HB2 SER 101 HB2 SER 101 18.935 -1.159 -3.904 751 HB3 SER 101 HB3 SER 101 18.517 -1.848 -2.339 752 HG SER 101 HG SER 101 16.960 -0.485 -3.935 753 H GLY 102 H GLY 102 20.672 -0.100 -4.587 754 HA2 GLY 102 HA2 GLY 102 22.828 -0.352 -5.407 755 HA3 GLY 102 HA3 GLY 102 23.465 -0.044 -3.782 756 H THR 103 H THR 103 21.059 -2.565 -4.154 757 HA THR 103 HA THR 103 22.166 -4.589 -2.910 758 HB THR 103 HB THR 103 20.729 -5.367 -5.401 759 HG1 THR 103 HG1 THR 103 18.816 -4.507 -4.793 760 HG21 THR 103 HG21 THR 103 20.231 -5.846 -2.453 761 HG22 THR 103 HG22 THR 103 21.095 -6.936 -3.556 762 HG23 THR 103 HG23 THR 103 19.364 -6.636 -3.789 763 H ILE 104 H ILE 104 22.953 -3.800 -6.268 764 HA ILE 104 HA ILE 104 24.205 -6.139 -7.120 765 HB ILE 104 HB ILE 104 23.538 -4.408 -8.626 766 HG12 ILE 104 HG12 ILE 104 25.557 -3.991 -9.982 767 HG13 ILE 104 HG13 ILE 104 26.591 -4.539 -8.664 768 HG21 ILE 104 HG21 ILE 104 23.767 -2.384 -7.266 769 HG22 ILE 104 HG22 ILE 104 25.538 -2.545 -7.290 770 HG23 ILE 104 HG23 ILE 104 24.644 -2.194 -8.776 771 HD11 ILE 104 HD11 ILE 104 26.228 -6.263 -10.393 772 HD12 ILE 104 HD12 ILE 104 25.562 -6.805 -8.844 773 HD13 ILE 104 HD13 ILE 104 24.476 -6.188 -10.111 774 H GLU 105 H GLU 105 25.481 -3.612 -4.969 775 HA GLU 105 HA GLU 105 28.205 -4.643 -5.130 776 HB2 GLU 105 HB2 GLU 105 26.842 -2.570 -3.372 777 HB3 GLU 105 HB3 GLU 105 28.573 -2.937 -3.255 778 HG2 GLU 105 HG2 GLU 105 29.007 -2.167 -5.478 779 HG3 GLU 105 HG3 GLU 105 27.288 -2.026 -5.846 780 H GLY 106 H GLY 106 25.766 -6.189 -4.033 781 HA2 GLY 106 HA2 GLY 106 25.633 -8.064 -2.617 782 HA3 GLY 106 HA3 GLY 106 27.283 -7.731 -2.051 783 H ARG 107 H ARG 107 24.901 -5.164 -2.006 784 HA ARG 107 HA ARG 107 25.220 -4.629 0.780 785 HB2 ARG 107 HB2 ARG 107 23.037 -3.718 -1.104 786 HB3 ARG 107 HB3 ARG 107 23.376 -2.995 0.462 787 HG2 ARG 107 HG2 ARG 107 25.269 -3.030 -1.918 788 HG3 ARG 107 HG3 ARG 107 24.200 -1.704 -1.484 789 HD2 ARG 107 HD2 ARG 107 25.423 -1.581 0.745 790 HD3 ARG 107 HD3 ARG 107 26.603 -2.701 0.064 791 HE ARG 107 HE ARG 107 27.129 -1.036 -1.696 792 HH11 ARG 107 HH11 ARG 107 25.040 0.376 0.861 793 HH12 ARG 107 HH12 ARG 107 25.832 1.924 0.704 794 HH21 ARG 107 HH21 ARG 107 27.714 1.013 -2.074 795 HH22 ARG 107 HH22 ARG 107 27.232 2.336 -1.031 796 H GLY 108 H GLY 108 23.339 -7.062 -0.663 797 HA2 GLY 108 HA2 GLY 108 21.807 -8.549 0.118 798 HA3 GLY 108 HA3 GLY 108 22.446 -8.155 1.707 799 H ASP 109 H ASP 109 20.785 -5.498 0.078 800 HA ASP 109 HA ASP 109 18.768 -5.493 2.140 801 HB2 ASP 109 HB2 ASP 109 18.217 -3.868 -0.255 802 HB3 ASP 109 HB3 ASP 109 18.294 -3.388 1.434 803 H GLY 110 H GLY 110 18.592 -5.670 -1.379 804 HA2 GLY 110 HA2 GLY 110 17.425 -7.680 -2.404 805 HA3 GLY 110 HA3 GLY 110 16.077 -7.296 -1.313 806 H GLY 111 H GLY 111 16.784 -4.262 -1.726 807 HA2 GLY 111 HA2 GLY 111 16.698 -2.739 -3.579 808 HA3 GLY 111 HA3 GLY 111 15.801 -3.927 -4.519 809 H THR 112 H THR 112 14.727 -3.828 -1.243 810 HA THR 112 HA THR 112 12.221 -2.479 -1.942 811 HB THR 112 HB THR 112 11.607 -3.632 0.230 812 HG1 THR 112 HG1 THR 112 13.096 -4.484 1.283 813 HG21 THR 112 HG21 THR 112 12.532 -5.374 -2.091 814 HG22 THR 112 HG22 THR 112 10.914 -4.646 -1.822 815 HG23 THR 112 HG23 THR 112 11.508 -5.901 -0.731 816 H THR 113 H THR 113 14.616 -0.787 -1.529 817 HA THR 113 HA THR 113 14.874 0.112 1.088 818 HB THR 113 HB THR 113 15.236 1.711 -1.465 819 HG1 THR 113 HG1 THR 113 16.863 0.353 -1.551 820 HG21 THR 113 HG21 THR 113 16.891 2.982 -0.009 821 HG22 THR 113 HG22 THR 113 16.137 2.226 1.414 822 HG23 THR 113 HG23 THR 113 15.194 3.319 0.368 823 H PHE 114 H PHE 114 12.175 0.815 -0.990 824 HA PHE 114 HA PHE 114 11.083 3.023 0.273 825 HB2 PHE 114 HB2 PHE 114 9.159 2.586 -0.857 826 HB3 PHE 114 HB3 PHE 114 10.292 1.674 -1.830 827 HD1 PHE 114 HD1 PHE 114 7.136 1.599 -0.506 828 HD2 PHE 114 HD2 PHE 114 10.590 -0.942 -0.751 829 HE1 PHE 114 HE1 PHE 114 5.702 -0.387 -0.118 830 HE2 PHE 114 HE2 PHE 114 9.181 -2.917 -0.294 831 HZ PHE 114 HZ PHE 114 6.743 -2.667 -0.015 832 H GLU 115 H GLU 115 11.417 -0.243 1.585 833 HA GLU 115 HA GLU 115 9.364 -0.304 3.530 834 HB2 GLU 115 HB2 GLU 115 12.206 -1.414 3.487 835 HB3 GLU 115 HB3 GLU 115 11.005 -1.793 4.737 836 HG2 GLU 115 HG2 GLU 115 9.485 -2.727 3.083 837 HG3 GLU 115 HG3 GLU 115 10.596 -2.389 1.778 838 H HIS 116 H HIS 116 12.370 1.581 3.368 839 HA HIS 116 HA HIS 116 12.630 2.107 6.110 840 HB2 HIS 116 HB2 HIS 116 14.272 3.517 5.550 841 HB3 HIS 116 HB3 HIS 116 14.154 2.700 4.010 842 HD1 HIS 116 HD1 HIS 116 13.700 6.024 5.687 843 HD2 HIS 116 HD2 HIS 116 12.955 4.231 1.935 844 HE1 HIS 116 HE1 HIS 116 13.170 7.928 4.048 845 H LEU 117 H LEU 117 10.253 3.382 3.812 846 HA LEU 117 HA LEU 117 9.414 5.676 5.268 847 HB2 LEU 117 HB2 LEU 117 7.966 3.883 3.275 848 HB3 LEU 117 HB3 LEU 117 7.149 5.171 4.106 849 HG LEU 117 HG LEU 117 9.009 6.738 3.199 850 HD11 LEU 117 HD11 LEU 117 9.152 4.517 1.109 851 HD12 LEU 117 HD12 LEU 117 10.453 4.920 2.249 852 HD13 LEU 117 HD13 LEU 117 9.955 6.104 1.040 853 HD21 LEU 117 HD21 LEU 117 6.653 6.857 2.538 854 HD22 LEU 117 HD22 LEU 117 6.864 5.491 1.423 855 HD23 LEU 117 HD23 LEU 117 7.676 7.034 1.091 856 H TRP 118 H TRP 118 8.922 2.264 6.035 857 HA TRP 118 HA TRP 118 6.475 2.630 7.516 858 HB2 TRP 118 HB2 TRP 118 8.591 0.484 7.817 859 HB3 TRP 118 HB3 TRP 118 6.970 0.444 8.488 860 HD1 TRP 118 HD1 TRP 118 8.727 -0.908 5.923 861 HE1 TRP 118 HE1 TRP 118 7.166 -1.836 3.965 862 HE3 TRP 118 HE3 TRP 118 4.570 1.780 6.925 863 HZ2 TRP 118 HZ2 TRP 118 4.703 -0.859 2.713 864 HZ3 TRP 118 HZ3 TRP 118 2.678 1.875 5.346 865 HH2 TRP 118 HH2 TRP 118 2.748 0.630 3.230 866 H SER 119 H SER 119 9.497 3.759 8.009 867 HA SER 119 HA SER 119 9.827 3.684 10.848 868 HB2 SER 119 HB2 SER 119 11.219 5.689 10.608 869 HB3 SER 119 HB3 SER 119 11.556 4.541 9.324 870 HG SER 119 HG SER 119 11.379 6.629 8.494 871 H SER 120 H SER 120 7.533 5.376 8.889 872 HA SER 120 HA SER 120 6.594 7.135 11.089 873 HB2 SER 120 HB2 SER 120 5.908 7.174 8.139 874 HB3 SER 120 HB3 SER 120 5.490 8.402 9.344 875 HG SER 120 HG SER 120 8.177 7.664 8.843 876 H LEU 121 H LEU 121 6.057 4.113 10.970 877 HA LEU 121 HA LEU 121 3.106 4.233 10.966 878 HB2 LEU 121 HB2 LEU 121 3.870 3.151 8.879 879 HB3 LEU 121 HB3 LEU 121 4.797 1.976 9.794 880 HG LEU 121 HG LEU 121 1.860 2.333 10.418 881 HD11 LEU 121 HD11 LEU 121 1.188 0.746 8.717 882 HD12 LEU 121 HD12 LEU 121 2.858 0.566 8.144 883 HD13 LEU 121 HD13 LEU 121 1.982 2.104 7.923 884 HD21 LEU 121 HD21 LEU 121 1.998 -0.151 10.755 885 HD22 LEU 121 HD22 LEU 121 3.047 0.741 11.839 886 HD23 LEU 121 HD23 LEU 121 3.759 -0.038 10.412 887 H GLU 122 H GLU 122 2.849 4.294 13.119 888 HA GLU 122 HA GLU 122 4.633 3.101 15.009 889 HB2 GLU 122 HB2 GLU 122 2.871 3.719 16.626 890 HB3 GLU 122 HB3 GLU 122 3.341 5.069 15.614 891 HG2 GLU 122 HG2 GLU 122 0.801 3.397 15.224 892 HG3 GLU 122 HG3 GLU 122 0.897 4.886 16.136 893 HA PRO 123 HA PRO 123 2.907 -1.014 14.870 894 HB2 PRO 123 HB2 PRO 123 3.348 -1.960 17.425 895 HB3 PRO 123 HB3 PRO 123 4.637 -1.701 16.221 896 HG2 PRO 123 HG2 PRO 123 3.753 0.184 18.429 897 HG3 PRO 123 HG3 PRO 123 5.418 -0.343 18.018 898 HD2 PRO 123 HD2 PRO 123 4.437 2.029 17.105 899 HD3 PRO 123 HD3 PRO 123 5.447 1.005 16.049 900 H ASP 124 H ASP 124 1.389 1.467 16.465 901 HA ASP 124 HA ASP 124 -0.825 -0.092 17.688 902 HB2 ASP 124 HB2 ASP 124 0.298 1.863 18.864 903 HB3 ASP 124 HB3 ASP 124 -0.372 2.921 17.608 904 H SER 125 H SER 125 -0.017 0.372 14.734 905 HA SER 125 HA SER 125 -1.729 1.844 13.197 906 HB2 SER 125 HB2 SER 125 -0.889 0.062 11.502 907 HB3 SER 125 HB3 SER 125 0.308 1.051 12.329 908 HG SER 125 HG SER 125 0.268 -1.543 12.292 909 H THR 126 H THR 126 -3.750 1.298 14.512 910 HA THR 126 HA THR 126 -5.182 -1.064 14.333 911 HB THR 126 HB THR 126 -5.768 0.831 15.717 912 HG1 THR 126 HG1 THR 126 -7.405 -0.482 15.355 913 HG21 THR 126 HG21 THR 126 -5.259 2.758 14.335 914 HG22 THR 126 HG22 THR 126 -6.933 2.832 14.872 915 HG23 THR 126 HG23 THR 126 -6.568 2.346 13.208 916 H TYR 127 H TYR 127 -4.491 1.118 11.765 917 HA TYR 127 HA TYR 127 -6.570 0.208 9.935 918 HB2 TYR 127 HB2 TYR 127 -5.400 1.919 8.483 919 HB3 TYR 127 HB3 TYR 127 -6.053 2.531 9.992 920 HD1 TYR 127 HD1 TYR 127 -2.985 1.758 8.104 921 HD2 TYR 127 HD2 TYR 127 -4.545 3.370 11.780 922 HE1 TYR 127 HE1 TYR 127 -0.761 2.578 8.645 923 HE2 TYR 127 HE2 TYR 127 -2.300 4.244 12.346 924 HH TYR 127 HH TYR 127 -0.065 4.322 11.771 925 H PHE 128 H PHE 128 -3.205 -0.800 10.604 926 HA PHE 128 HA PHE 128 -3.186 -2.170 7.940 927 HB2 PHE 128 HB2 PHE 128 -1.188 -0.443 9.279 928 HB3 PHE 128 HB3 PHE 128 -0.550 -2.002 8.817 929 HD1 PHE 128 HD1 PHE 128 0.953 -1.283 7.094 930 HD2 PHE 128 HD2 PHE 128 -3.195 -0.065 6.884 931 HE1 PHE 128 HE1 PHE 128 1.236 -0.561 4.724 932 HE2 PHE 128 HE2 PHE 128 -2.860 0.700 4.610 933 HZ PHE 128 HZ PHE 128 -0.665 0.430 3.486 934 H ASP 129 H ASP 129 -1.633 -4.035 7.861 935 HA ASP 129 HA ASP 129 -2.567 -5.946 9.770 936 HB2 ASP 129 HB2 ASP 129 -2.062 -6.399 7.317 937 HB3 ASP 129 HB3 ASP 129 -0.355 -6.372 7.731 938 H LEU 130 H LEU 130 -1.685 -6.569 11.594 939 HA LEU 130 HA LEU 130 0.817 -5.470 12.613 940 HB2 LEU 130 HB2 LEU 130 -1.137 -7.496 13.784 941 HB3 LEU 130 HB3 LEU 130 0.377 -7.044 14.544 942 HG LEU 130 HG LEU 130 -0.355 -4.653 14.601 943 HD11 LEU 130 HD11 LEU 130 -2.061 -4.507 12.906 944 HD12 LEU 130 HD12 LEU 130 -2.867 -4.274 14.440 945 HD13 LEU 130 HD13 LEU 130 -3.002 -5.845 13.628 946 HD21 LEU 130 HD21 LEU 130 -1.887 -4.982 16.483 947 HD22 LEU 130 HD22 LEU 130 -0.567 -6.159 16.542 948 HD23 LEU 130 HD23 LEU 130 -2.176 -6.675 15.965 Start of MODEL 16 1 H1 ALA 1 H ALA 1 9.386 -21.455 -6.696 2 HA ALA 1 HA ALA 1 8.259 -23.830 -5.358 3 HB1 ALA 1 HB1 ALA 1 8.067 -23.149 -8.318 4 HB2 ALA 1 HB2 ALA 1 7.455 -24.607 -7.522 5 HB3 ALA 1 HB3 ALA 1 6.738 -23.029 -7.136 6 H THR 2 H THR 2 10.640 -22.733 -7.940 7 HA THR 2 HA THR 2 11.958 -25.308 -7.926 8 HB THR 2 HB THR 2 13.535 -24.025 -9.410 9 HG1 THR 2 HG1 THR 2 13.261 -22.007 -8.624 10 HG21 THR 2 HG21 THR 2 10.585 -23.811 -10.151 11 HG22 THR 2 HG22 THR 2 11.629 -25.225 -10.393 12 HG23 THR 2 HG23 THR 2 11.958 -23.721 -11.271 13 H GLN 3 H GLN 3 12.163 -25.215 -5.471 14 HA GLN 3 HA GLN 3 13.347 -24.890 -3.521 15 HB2 GLN 3 HB2 GLN 3 15.631 -24.958 -5.514 16 HB3 GLN 3 HB3 GLN 3 15.791 -25.208 -3.768 17 HG2 GLN 3 HG2 GLN 3 14.423 -27.221 -3.861 18 HG3 GLN 3 HG3 GLN 3 14.042 -26.952 -5.554 19 HE21 GLN 3 HE21 GLN 3 14.873 -29.291 -5.392 20 HE22 GLN 3 HE22 GLN 3 16.515 -29.475 -5.967 21 H SER 4 H SER 4 12.266 -22.524 -4.644 22 HA SER 4 HA SER 4 13.961 -20.307 -4.750 23 HB2 SER 4 HB2 SER 4 11.020 -20.429 -3.957 24 HB3 SER 4 HB3 SER 4 11.856 -19.077 -4.725 25 HG SER 4 HG SER 4 11.965 -20.129 -6.582 26 HA PRO 5 HA PRO 5 14.658 -19.224 -0.525 27 HB2 PRO 5 HB2 PRO 5 14.524 -16.446 -0.596 28 HB3 PRO 5 HB3 PRO 5 15.925 -17.406 -1.144 29 HG2 PRO 5 HG2 PRO 5 13.666 -16.246 -2.793 30 HG3 PRO 5 HG3 PRO 5 15.427 -16.227 -3.148 31 HD2 PRO 5 HD2 PRO 5 13.787 -18.039 -4.301 32 HD3 PRO 5 HD3 PRO 5 15.412 -18.529 -3.745 33 H GLY 6 H GLY 6 13.611 -18.605 1.398 34 HA2 GLY 6 HA2 GLY 6 10.710 -17.957 1.186 35 HA3 GLY 6 HA3 GLY 6 11.437 -19.047 2.377 36 H ASP 7 H ASP 7 10.175 -16.044 2.121 37 HA ASP 7 HA ASP 7 11.593 -15.063 4.467 38 HB2 ASP 7 HB2 ASP 7 13.041 -14.158 2.741 39 HB3 ASP 7 HB3 ASP 7 11.642 -13.545 1.845 40 H SER 8 H SER 8 9.905 -14.701 5.758 41 HA SER 8 HA SER 8 7.287 -14.276 4.933 42 HB2 SER 8 HB2 SER 8 8.537 -13.405 7.549 43 HB3 SER 8 HB3 SER 8 6.840 -13.772 7.237 44 HG SER 8 HG SER 8 7.493 -15.621 7.965 45 H ARG 9 H ARG 9 9.903 -11.851 5.234 46 HA ARG 9 HA ARG 9 8.195 -9.558 5.515 47 HB2 ARG 9 HB2 ARG 9 10.923 -9.869 4.200 48 HB3 ARG 9 HB3 ARG 9 10.155 -8.320 4.494 49 HG2 ARG 9 HG2 ARG 9 10.763 -10.295 6.731 50 HG3 ARG 9 HG3 ARG 9 11.929 -9.087 6.179 51 HD2 ARG 9 HD2 ARG 9 10.572 -7.268 6.816 52 HD3 ARG 9 HD3 ARG 9 9.124 -8.281 7.022 53 HE ARG 9 HE ARG 9 11.151 -9.171 8.794 54 HH11 ARG 9 HH11 ARG 9 8.966 -6.402 8.368 55 HH12 ARG 9 HH12 ARG 9 8.569 -6.273 10.059 56 HH21 ARG 9 HH21 ARG 9 10.877 -8.792 11.070 57 HH22 ARG 9 HH22 ARG 9 9.927 -7.476 11.607 58 H ARG 10 H ARG 10 9.076 -11.583 2.740 59 HA ARG 10 HA ARG 10 8.055 -9.706 0.742 60 HB2 ARG 10 HB2 ARG 10 8.606 -12.707 0.556 61 HB3 ARG 10 HB3 ARG 10 8.347 -11.634 -0.809 62 HG2 ARG 10 HG2 ARG 10 10.636 -11.283 1.173 63 HG3 ARG 10 HG3 ARG 10 10.761 -12.244 -0.297 64 HD2 ARG 10 HD2 ARG 10 10.470 -10.303 -1.671 65 HD3 ARG 10 HD3 ARG 10 9.968 -9.311 -0.305 66 HE ARG 10 HE ARG 10 12.685 -10.029 -1.067 67 HH11 ARG 10 HH11 ARG 10 10.790 -9.234 1.840 68 HH12 ARG 10 HH12 ARG 10 12.103 -8.355 2.578 69 HH21 ARG 10 HH21 ARG 10 14.321 -8.883 -0.067 70 HH22 ARG 10 HH22 ARG 10 13.956 -7.947 1.372 71 H LEU 11 H LEU 11 6.882 -12.636 2.362 72 HA LEU 11 HA LEU 11 4.381 -12.888 1.075 73 HB2 LEU 11 HB2 LEU 11 5.370 -13.727 3.832 74 HB3 LEU 11 HB3 LEU 11 3.715 -13.976 3.322 75 HG LEU 11 HG LEU 11 4.381 -15.374 1.462 76 HD11 LEU 11 HD11 LEU 11 6.600 -16.232 1.172 77 HD12 LEU 11 HD12 LEU 11 7.218 -15.213 2.506 78 HD13 LEU 11 HD13 LEU 11 6.640 -14.491 0.992 79 HD21 LEU 11 HD21 LEU 11 5.567 -16.216 4.151 80 HD22 LEU 11 HD22 LEU 11 5.128 -17.314 2.820 81 HD23 LEU 11 HD23 LEU 11 3.877 -16.386 3.655 82 H SER 12 H SER 12 5.159 -11.283 4.180 83 HA SER 12 HA SER 12 2.570 -10.421 4.812 84 HB2 SER 12 HB2 SER 12 3.834 -8.702 6.228 85 HB3 SER 12 HB3 SER 12 4.164 -10.408 6.507 86 HG SER 12 HG SER 12 6.082 -10.266 5.550 87 H ILE 13 H ILE 13 5.103 -8.688 3.008 88 HA ILE 13 HA ILE 13 3.593 -6.338 2.483 89 HB ILE 13 HB ILE 13 5.905 -7.639 0.983 90 HG12 ILE 13 HG12 ILE 13 5.717 -5.161 2.778 91 HG13 ILE 13 HG13 ILE 13 6.238 -6.751 3.299 92 HG21 ILE 13 HG21 ILE 13 4.630 -4.910 0.427 93 HG22 ILE 13 HG22 ILE 13 6.185 -5.468 -0.234 94 HG23 ILE 13 HG23 ILE 13 4.720 -6.303 -0.679 95 HD11 ILE 13 HD11 ILE 13 8.214 -5.442 2.931 96 HD12 ILE 13 HD12 ILE 13 8.132 -6.648 1.628 97 HD13 ILE 13 HD13 ILE 13 7.681 -4.956 1.314 98 H GLN 14 H GLN 14 3.925 -9.348 0.508 99 HA GLN 14 HA GLN 14 2.165 -8.471 -1.569 100 HB2 GLN 14 HB2 GLN 14 2.845 -11.302 -0.661 101 HB3 GLN 14 HB3 GLN 14 1.716 -10.939 -1.970 102 HG2 GLN 14 HG2 GLN 14 3.748 -9.411 -2.837 103 HG3 GLN 14 HG3 GLN 14 4.689 -10.558 -1.899 104 HE21 GLN 14 HE21 GLN 14 5.303 -12.434 -3.031 105 HE22 GLN 14 HE22 GLN 14 4.528 -12.942 -4.531 106 H ARG 15 H ARG 15 1.338 -10.349 1.411 107 HA ARG 15 HA ARG 15 -1.437 -10.481 0.776 108 HB2 ARG 15 HB2 ARG 15 0.045 -10.596 3.435 109 HB3 ARG 15 HB3 ARG 15 -1.726 -10.734 3.309 110 HG2 ARG 15 HG2 ARG 15 -1.323 -12.524 1.515 111 HG3 ARG 15 HG3 ARG 15 0.367 -12.560 2.054 112 HD2 ARG 15 HD2 ARG 15 -0.330 -13.267 4.272 113 HD3 ARG 15 HD3 ARG 15 -2.031 -12.968 3.884 114 HE ARG 15 HE ARG 15 -2.145 -14.846 2.540 115 HH11 ARG 15 HH11 ARG 15 1.204 -14.536 3.805 116 HH12 ARG 15 HH12 ARG 15 1.705 -16.004 3.021 117 HH21 ARG 15 HH21 ARG 15 -1.446 -16.839 1.700 118 HH22 ARG 15 HH22 ARG 15 0.110 -17.456 2.145 119 H ALA 16 H ALA 16 0.401 -7.881 2.341 120 HA ALA 16 HA ALA 16 -1.877 -6.353 3.153 121 HB1 ALA 16 HB1 ALA 16 0.895 -5.364 2.314 122 HB2 ALA 16 HB2 ALA 16 -0.333 -4.438 3.172 123 HB3 ALA 16 HB3 ALA 16 0.415 -5.838 3.952 124 H ILE 17 H ILE 17 0.166 -6.162 0.191 125 HA ILE 17 HA ILE 17 -1.285 -4.231 -1.219 126 HB ILE 17 HB ILE 17 0.349 -6.598 -2.222 127 HG12 ILE 17 HG12 ILE 17 1.224 -3.694 -2.175 128 HG13 ILE 17 HG13 ILE 17 1.375 -4.684 -0.730 129 HG21 ILE 17 HG21 ILE 17 0.656 -5.298 -4.332 130 HG22 ILE 17 HG22 ILE 17 -1.028 -5.798 -4.101 131 HG23 ILE 17 HG23 ILE 17 -0.552 -4.122 -3.755 132 HD11 ILE 17 HD11 ILE 17 3.448 -4.671 -1.976 133 HD12 ILE 17 HD12 ILE 17 2.764 -6.312 -1.918 134 HD13 ILE 17 HD13 ILE 17 2.639 -5.366 -3.401 135 H GLN 18 H GLN 18 -1.653 -7.807 -1.418 136 HA GLN 18 HA GLN 18 -3.779 -7.836 -3.280 137 HB2 GLN 18 HB2 GLN 18 -3.051 -9.811 -1.067 138 HB3 GLN 18 HB3 GLN 18 -4.266 -10.103 -2.318 139 HG2 GLN 18 HG2 GLN 18 -2.482 -9.676 -4.053 140 HG3 GLN 18 HG3 GLN 18 -1.288 -9.683 -2.779 141 HE21 GLN 18 HE21 GLN 18 -3.430 -11.625 -4.718 142 HE22 GLN 18 HE22 GLN 18 -2.867 -13.199 -4.174 143 H SER 19 H SER 19 -3.870 -7.717 0.306 144 HA SER 19 HA SER 19 -6.733 -7.825 0.490 145 HB2 SER 19 HB2 SER 19 -4.663 -6.636 2.404 146 HB3 SER 19 HB3 SER 19 -6.364 -6.955 2.789 147 HG SER 19 HG SER 19 -4.262 -8.738 2.241 148 H LEU 20 H LEU 20 -4.422 -5.125 0.056 149 HA LEU 20 HA LEU 20 -6.367 -3.100 0.567 150 HB2 LEU 20 HB2 LEU 20 -3.639 -3.108 0.354 151 HB3 LEU 20 HB3 LEU 20 -4.042 -2.431 -1.205 152 HG LEU 20 HG LEU 20 -5.242 -1.414 1.416 153 HD11 LEU 20 HD11 LEU 20 -2.752 -0.382 0.011 154 HD12 LEU 20 HD12 LEU 20 -2.805 -1.284 1.541 155 HD13 LEU 20 HD13 LEU 20 -3.533 0.310 1.466 156 HD21 LEU 20 HD21 LEU 20 -5.017 -0.159 -1.349 157 HD22 LEU 20 HD22 LEU 20 -5.646 0.647 0.111 158 HD23 LEU 20 HD23 LEU 20 -6.503 -0.721 -0.549 159 H VAL 21 H VAL 21 -4.980 -4.329 -2.584 160 HA VAL 21 HA VAL 21 -6.714 -2.709 -4.116 161 HB VAL 21 HB VAL 21 -6.264 -4.056 -6.023 162 HG11 VAL 21 HG11 VAL 21 -3.667 -4.007 -4.464 163 HG12 VAL 21 HG12 VAL 21 -3.964 -3.688 -6.186 164 HG13 VAL 21 HG13 VAL 21 -4.500 -2.523 -4.968 165 HG21 VAL 21 HG21 VAL 21 -4.978 -6.107 -4.181 166 HG22 VAL 21 HG22 VAL 21 -6.446 -6.330 -5.162 167 HG23 VAL 21 HG23 VAL 21 -4.888 -6.099 -5.957 168 H HIS 22 H HIS 22 -7.230 -6.028 -2.812 169 HA HIS 22 HA HIS 22 -9.761 -6.379 -4.002 170 HB2 HIS 22 HB2 HIS 22 -8.669 -8.281 -2.998 171 HB3 HIS 22 HB3 HIS 22 -8.547 -7.475 -1.437 172 HD1 HIS 22 HD1 HIS 22 -11.795 -7.813 -3.557 173 HD2 HIS 22 HD2 HIS 22 -10.095 -8.728 0.198 174 HE1 HIS 22 HE1 HIS 22 -13.677 -8.708 -2.115 175 H ALA 23 H ALA 23 -9.004 -5.115 -0.662 176 HA ALA 23 HA ALA 23 -11.638 -4.594 0.080 177 HB1 ALA 23 HB1 ALA 23 -9.022 -3.260 0.810 178 HB2 ALA 23 HB2 ALA 23 -10.542 -2.887 1.636 179 HB3 ALA 23 HB3 ALA 23 -9.904 -4.542 1.696 180 H ALA 24 H ALA 24 -9.519 -2.695 -2.020 181 HA ALA 24 HA ALA 24 -11.023 -0.267 -1.845 182 HB1 ALA 24 HB1 ALA 24 -9.038 -1.299 -3.888 183 HB2 ALA 24 HB2 ALA 24 -9.654 0.366 -3.847 184 HB3 ALA 24 HB3 ALA 24 -8.661 -0.238 -2.510 185 H GLN 25 H GLN 25 -11.543 -3.231 -3.688 186 HA GLN 25 HA GLN 25 -13.902 -1.920 -4.972 187 HB2 GLN 25 HB2 GLN 25 -13.658 -3.397 -6.878 188 HB3 GLN 25 HB3 GLN 25 -12.243 -2.384 -6.686 189 HG2 GLN 25 HG2 GLN 25 -10.908 -4.211 -5.895 190 HG3 GLN 25 HG3 GLN 25 -12.293 -5.207 -5.580 191 HE21 GLN 25 HE21 GLN 25 -11.327 -6.901 -6.944 192 HE22 GLN 25 HE22 GLN 25 -11.139 -6.691 -8.677 193 H CYS 26 H CYS 26 -13.282 -3.782 -2.504 194 HA CYS 26 HA CYS 26 -14.811 -6.157 -2.899 195 HB2 CYS 26 HB2 CYS 26 -13.091 -6.041 -1.274 196 HB3 CYS 26 HB3 CYS 26 -13.875 -4.711 -0.450 197 H ARG 27 H ARG 27 -16.697 -5.615 -3.858 198 HA ARG 27 HA ARG 27 -18.815 -4.216 -2.262 199 HB2 ARG 27 HB2 ARG 27 -18.267 -3.688 -4.765 200 HB3 ARG 27 HB3 ARG 27 -18.983 -5.273 -5.101 201 HG2 ARG 27 HG2 ARG 27 -21.065 -4.382 -3.801 202 HG3 ARG 27 HG3 ARG 27 -20.286 -2.797 -3.979 203 HD2 ARG 27 HD2 ARG 27 -20.238 -3.052 -6.401 204 HD3 ARG 27 HD3 ARG 27 -20.881 -4.696 -6.287 205 HE ARG 27 HE ARG 27 -22.310 -2.157 -5.968 206 HH11 ARG 27 HH11 ARG 27 -22.607 -5.604 -5.073 207 HH12 ARG 27 HH12 ARG 27 -24.303 -5.667 -5.388 208 HH21 ARG 27 HH21 ARG 27 -24.542 -2.252 -6.332 209 HH22 ARG 27 HH22 ARG 27 -25.435 -3.621 -5.756 210 H ASN 28 H ASN 28 -17.544 -7.268 -3.164 211 HA ASN 28 HA ASN 28 -19.916 -8.869 -3.101 212 HB2 ASN 28 HB2 ASN 28 -18.291 -10.759 -3.058 213 HB3 ASN 28 HB3 ASN 28 -18.141 -9.657 -4.417 214 HD21 ASN 28 HD21 ASN 28 -16.199 -11.541 -2.587 215 HD22 ASN 28 HD22 ASN 28 -14.761 -10.588 -2.705 216 H ALA 29 H ALA 29 -20.947 -8.389 -1.244 217 HA ALA 29 HA ALA 29 -19.969 -8.337 1.382 218 HB1 ALA 29 HB1 ALA 29 -22.351 -8.630 1.992 219 HB2 ALA 29 HB2 ALA 29 -22.154 -7.467 0.666 220 HB3 ALA 29 HB3 ALA 29 -22.693 -9.129 0.322 221 H ASN 30 H ASN 30 -19.688 -10.882 -0.516 222 HA ASN 30 HA ASN 30 -20.528 -13.183 1.128 223 HB2 ASN 30 HB2 ASN 30 -20.551 -13.350 -1.336 224 HB3 ASN 30 HB3 ASN 30 -18.833 -12.920 -1.410 225 HD21 ASN 30 HD21 ASN 30 -21.117 -15.378 -0.162 226 HD22 ASN 30 HD22 ASN 30 -19.944 -16.659 -0.005 227 H CYS 31 H CYS 31 -17.582 -11.393 0.205 228 HA CYS 31 HA CYS 31 -15.603 -12.960 1.408 229 HB2 CYS 31 HB2 CYS 31 -15.155 -11.170 -0.194 230 HB3 CYS 31 HB3 CYS 31 -15.883 -9.962 0.880 231 H SER 32 H SER 32 -14.666 -12.989 3.403 232 HA SER 32 HA SER 32 -15.355 -11.126 5.487 233 HB2 SER 32 HB2 SER 32 -16.070 -12.672 7.146 234 HB3 SER 32 HB3 SER 32 -17.222 -12.639 5.823 235 HG SER 32 HG SER 32 -16.709 -14.679 5.296 236 H LEU 33 H LEU 33 -13.292 -10.534 5.764 237 HA LEU 33 HA LEU 33 -11.317 -12.521 6.572 238 HB2 LEU 33 HB2 LEU 33 -10.933 -10.617 4.246 239 HB3 LEU 33 HB3 LEU 33 -9.579 -11.292 5.133 240 HG LEU 33 HG LEU 33 -11.629 -12.916 3.564 241 HD11 LEU 33 HD11 LEU 33 -10.187 -11.487 2.153 242 HD12 LEU 33 HD12 LEU 33 -9.807 -13.195 1.939 243 HD13 LEU 33 HD13 LEU 33 -8.740 -12.160 2.919 244 HD21 LEU 33 HD21 LEU 33 -10.046 -14.795 3.852 245 HD22 LEU 33 HD22 LEU 33 -10.629 -14.248 5.412 246 HD23 LEU 33 HD23 LEU 33 -8.999 -13.780 4.882 247 HA PRO 34 HA PRO 34 -10.967 -9.095 9.421 248 HB2 PRO 34 HB2 PRO 34 -8.478 -9.589 10.526 249 HB3 PRO 34 HB3 PRO 34 -9.979 -10.433 10.982 250 HG2 PRO 34 HG2 PRO 34 -7.865 -11.331 9.032 251 HG3 PRO 34 HG3 PRO 34 -8.663 -12.296 10.320 252 HD2 PRO 34 HD2 PRO 34 -9.482 -12.479 7.752 253 HD3 PRO 34 HD3 PRO 34 -10.687 -12.433 9.071 254 H SER 35 H SER 35 -8.271 -9.877 7.137 255 HA SER 35 HA SER 35 -7.165 -7.231 7.319 256 HB2 SER 35 HB2 SER 35 -6.846 -9.059 4.989 257 HB3 SER 35 HB3 SER 35 -5.780 -7.799 5.513 258 HG SER 35 HG SER 35 -6.266 -10.344 6.670 259 H CYS 36 H CYS 36 -9.898 -8.545 5.547 260 HA CYS 36 HA CYS 36 -9.826 -6.514 3.445 261 HB2 CYS 36 HB2 CYS 36 -10.830 -8.798 3.134 262 HB3 CYS 36 HB3 CYS 36 -12.106 -8.367 4.282 263 H GLN 37 H GLN 37 -11.905 -7.173 6.310 264 HA GLN 37 HA GLN 37 -13.395 -4.853 6.219 265 HB2 GLN 37 HB2 GLN 37 -13.930 -5.107 8.563 266 HB3 GLN 37 HB3 GLN 37 -14.088 -6.587 7.628 267 HG2 GLN 37 HG2 GLN 37 -11.891 -7.335 8.524 268 HG3 GLN 37 HG3 GLN 37 -11.843 -5.915 9.577 269 HE21 GLN 37 HE21 GLN 37 -13.105 -5.971 11.529 270 HE22 GLN 37 HE22 GLN 37 -14.056 -7.369 11.966 271 H LYS 38 H LYS 38 -10.195 -5.104 8.028 272 HA LYS 38 HA LYS 38 -10.336 -2.430 8.923 273 HB2 LYS 38 HB2 LYS 38 -8.029 -2.696 9.472 274 HB3 LYS 38 HB3 LYS 38 -8.793 -4.283 9.689 275 HG2 LYS 38 HG2 LYS 38 -7.963 -4.851 7.330 276 HG3 LYS 38 HG3 LYS 38 -7.019 -3.347 7.409 277 HD2 LYS 38 HD2 LYS 38 -6.310 -4.512 9.738 278 HD3 LYS 38 HD3 LYS 38 -6.591 -5.961 8.763 279 HE2 LYS 38 HE2 LYS 38 -4.889 -3.586 7.857 280 HE3 LYS 38 HE3 LYS 38 -4.236 -5.002 8.685 281 HZ1 LYS 38 HZ1 LYS 38 -4.798 -6.368 6.917 282 HZ2 LYS 38 HZ2 LYS 38 -4.020 -5.110 6.277 283 HZ3 LYS 38 HZ3 LYS 38 -5.670 -5.204 6.111 284 H MET 39 H MET 39 -9.093 -3.764 5.843 285 HA MET 39 HA MET 39 -7.847 -1.398 4.951 286 HB2 MET 39 HB2 MET 39 -8.826 -3.850 3.513 287 HB3 MET 39 HB3 MET 39 -8.035 -2.487 2.689 288 HG2 MET 39 HG2 MET 39 -6.792 -4.168 4.879 289 HG3 MET 39 HG3 MET 39 -6.489 -4.320 3.172 290 HE1 MET 39 HE1 MET 39 -3.999 -4.363 3.954 291 HE2 MET 39 HE2 MET 39 -4.220 -3.578 2.393 292 HE3 MET 39 HE3 MET 39 -3.100 -2.872 3.579 293 H LYS 40 H LYS 40 -11.247 -2.441 4.890 294 HA LYS 40 HA LYS 40 -12.165 -0.663 2.927 295 HB2 LYS 40 HB2 LYS 40 -13.675 -1.239 5.518 296 HB3 LYS 40 HB3 LYS 40 -14.350 -0.686 3.996 297 HG2 LYS 40 HG2 LYS 40 -13.309 -3.420 4.681 298 HG3 LYS 40 HG3 LYS 40 -14.927 -2.945 4.149 299 HD2 LYS 40 HD2 LYS 40 -13.667 -2.275 1.921 300 HD3 LYS 40 HD3 LYS 40 -12.356 -3.242 2.615 301 HE2 LYS 40 HE2 LYS 40 -13.393 -4.876 1.448 302 HE3 LYS 40 HE3 LYS 40 -14.212 -5.062 2.996 303 HZ1 LYS 40 HZ1 LYS 40 -15.569 -4.950 0.880 304 HZ2 LYS 40 HZ2 LYS 40 -15.298 -3.342 0.840 305 HZ3 LYS 40 HZ3 LYS 40 -16.122 -4.009 2.113 306 H ARG 41 H ARG 41 -11.263 -0.063 6.271 307 HA ARG 41 HA ARG 41 -12.396 2.581 6.461 308 HB2 ARG 41 HB2 ARG 41 -10.065 1.431 8.073 309 HB3 ARG 41 HB3 ARG 41 -11.094 2.799 8.504 310 HG2 ARG 41 HG2 ARG 41 -13.048 1.285 8.725 311 HG3 ARG 41 HG3 ARG 41 -12.032 -0.101 8.265 312 HD2 ARG 41 HD2 ARG 41 -10.541 0.346 10.202 313 HD3 ARG 41 HD3 ARG 41 -11.605 1.690 10.676 314 HE ARG 41 HE ARG 41 -12.950 -0.890 10.378 315 HH11 ARG 41 HH11 ARG 41 -11.009 1.039 12.646 316 HH12 ARG 41 HH12 ARG 41 -11.718 0.326 14.061 317 HH21 ARG 41 HH21 ARG 41 -13.881 -1.790 12.172 318 HH22 ARG 41 HH22 ARG 41 -13.381 -1.405 13.787 319 H VAL 42 H VAL 42 -8.966 1.477 5.930 320 HA VAL 42 HA VAL 42 -8.075 4.160 5.579 321 HB VAL 42 HB VAL 42 -6.047 3.072 4.483 322 HG11 VAL 42 HG11 VAL 42 -6.227 3.797 6.818 323 HG12 VAL 42 HG12 VAL 42 -6.876 2.207 7.272 324 HG13 VAL 42 HG13 VAL 42 -5.218 2.356 6.646 325 HG21 VAL 42 HG21 VAL 42 -7.134 0.884 3.828 326 HG22 VAL 42 HG22 VAL 42 -5.708 0.685 4.846 327 HG23 VAL 42 HG23 VAL 42 -7.305 0.516 5.570 328 H VAL 43 H VAL 43 -9.311 1.796 3.110 329 HA VAL 43 HA VAL 43 -8.568 3.603 1.041 330 HB VAL 43 HB VAL 43 -9.035 1.198 0.693 331 HG11 VAL 43 HG11 VAL 43 -11.989 1.971 0.683 332 HG12 VAL 43 HG12 VAL 43 -11.284 0.379 0.329 333 HG13 VAL 43 HG13 VAL 43 -11.166 1.040 1.959 334 HG21 VAL 43 HG21 VAL 43 -8.817 2.798 -1.143 335 HG22 VAL 43 HG22 VAL 43 -10.016 1.576 -1.552 336 HG23 VAL 43 HG23 VAL 43 -10.548 3.178 -1.055 337 H GLN 44 H GLN 44 -11.552 3.300 3.008 338 HA GLN 44 HA GLN 44 -13.077 5.271 1.703 339 HB2 GLN 44 HB2 GLN 44 -14.094 3.784 3.202 340 HB3 GLN 44 HB3 GLN 44 -12.975 4.144 4.521 341 HG2 GLN 44 HG2 GLN 44 -14.015 6.187 5.038 342 HG3 GLN 44 HG3 GLN 44 -14.872 6.253 3.489 343 HE21 GLN 44 HE21 GLN 44 -17.041 5.724 3.717 344 HE22 GLN 44 HE22 GLN 44 -17.640 4.501 4.807 345 H HIS 45 H HIS 45 -10.661 5.561 4.341 346 HA HIS 45 HA HIS 45 -10.987 8.350 4.844 347 HB2 HIS 45 HB2 HIS 45 -9.906 6.854 6.392 348 HB3 HIS 45 HB3 HIS 45 -8.724 6.349 5.199 349 HD1 HIS 45 HD1 HIS 45 -9.422 9.239 7.606 350 HD2 HIS 45 HD2 HIS 45 -6.563 7.822 4.831 351 HE1 HIS 45 HE1 HIS 45 -7.351 10.663 7.907 352 H THR 46 H THR 46 -8.491 6.625 2.872 353 HA THR 46 HA THR 46 -7.386 8.931 1.729 354 HB THR 46 HB THR 46 -6.338 7.373 0.132 355 HG1 THR 46 HG1 THR 46 -7.860 5.422 1.528 356 HG21 THR 46 HG21 THR 46 -6.345 6.263 2.980 357 HG22 THR 46 HG22 THR 46 -5.437 7.707 2.470 358 HG23 THR 46 HG23 THR 46 -5.066 6.123 1.783 359 H LYS 47 H LYS 47 -10.203 7.123 0.449 360 HA LYS 47 HA LYS 47 -10.226 8.278 -2.142 361 HB2 LYS 47 HB2 LYS 47 -12.432 7.268 -0.317 362 HB3 LYS 47 HB3 LYS 47 -12.812 7.949 -1.906 363 HG2 LYS 47 HG2 LYS 47 -11.694 6.238 -3.091 364 HG3 LYS 47 HG3 LYS 47 -10.793 5.724 -1.669 365 HD2 LYS 47 HD2 LYS 47 -12.431 4.051 -1.966 366 HD3 LYS 47 HD3 LYS 47 -12.942 5.019 -0.600 367 HE2 LYS 47 HE2 LYS 47 -14.894 4.574 -1.789 368 HE3 LYS 47 HE3 LYS 47 -14.527 6.249 -2.224 369 HZ1 LYS 47 HZ1 LYS 47 -13.987 5.570 -4.364 370 HZ2 LYS 47 HZ2 LYS 47 -15.161 4.462 -3.999 371 HZ3 LYS 47 HZ3 LYS 47 -13.589 4.042 -3.932 372 H GLY 48 H GLY 48 -11.292 9.683 0.919 373 HA2 GLY 48 HA2 GLY 48 -12.267 12.130 -0.503 374 HA3 GLY 48 HA3 GLY 48 -12.773 11.575 1.089 375 H CYS 49 H CYS 49 -9.458 11.138 0.999 376 HA CYS 49 HA CYS 49 -8.983 13.254 2.874 377 HB2 CYS 49 HB2 CYS 49 -7.567 10.981 1.738 378 HB3 CYS 49 HB3 CYS 49 -6.499 12.364 1.914 379 H LYS 50 H LYS 50 -9.474 15.201 1.952 380 HA LYS 50 HA LYS 50 -7.978 16.085 -0.472 381 HB2 LYS 50 HB2 LYS 50 -10.402 16.347 -0.317 382 HB3 LYS 50 HB3 LYS 50 -10.227 17.420 1.047 383 HG2 LYS 50 HG2 LYS 50 -8.829 18.100 -1.542 384 HG3 LYS 50 HG3 LYS 50 -10.585 18.259 -1.460 385 HD2 LYS 50 HD2 LYS 50 -8.686 19.603 0.463 386 HD3 LYS 50 HD3 LYS 50 -9.326 20.376 -0.968 387 HE2 LYS 50 HE2 LYS 50 -11.165 19.236 1.176 388 HE3 LYS 50 HE3 LYS 50 -10.456 20.834 1.311 389 HZ1 LYS 50 HZ1 LYS 50 -11.454 21.315 -0.914 390 HZ2 LYS 50 HZ2 LYS 50 -12.537 21.103 0.311 391 HZ3 LYS 50 HZ3 LYS 50 -12.292 19.913 -0.782 392 H ARG 51 H ARG 51 -7.787 16.254 2.960 393 HA ARG 51 HA ARG 51 -6.366 18.628 3.368 394 HB2 ARG 51 HB2 ARG 51 -7.376 17.193 5.080 395 HB3 ARG 51 HB3 ARG 51 -6.171 15.945 4.800 396 HG2 ARG 51 HG2 ARG 51 -4.388 17.496 5.574 397 HG3 ARG 51 HG3 ARG 51 -5.621 18.729 5.918 398 HD2 ARG 51 HD2 ARG 51 -5.440 15.942 7.150 399 HD3 ARG 51 HD3 ARG 51 -4.942 17.427 7.949 400 HE ARG 51 HE ARG 51 -7.696 16.482 7.377 401 HH11 ARG 51 HH11 ARG 51 -5.712 19.083 8.827 402 HH12 ARG 51 HH12 ARG 51 -7.048 19.800 9.644 403 HH21 ARG 51 HH21 ARG 51 -9.408 17.476 8.302 404 HH22 ARG 51 HH22 ARG 51 -9.254 18.952 9.232 405 H LYS 52 H LYS 52 -5.243 15.599 2.008 406 HA LYS 52 HA LYS 52 -2.493 15.836 2.288 407 HB2 LYS 52 HB2 LYS 52 -2.271 14.216 0.558 408 HB3 LYS 52 HB3 LYS 52 -3.724 13.835 1.480 409 HG2 LYS 52 HG2 LYS 52 -5.041 15.089 -0.363 410 HG3 LYS 52 HG3 LYS 52 -3.537 15.079 -1.289 411 HD2 LYS 52 HD2 LYS 52 -3.457 12.564 -1.001 412 HD3 LYS 52 HD3 LYS 52 -5.061 12.636 -0.263 413 HE2 LYS 52 HE2 LYS 52 -4.301 13.486 -3.095 414 HE3 LYS 52 HE3 LYS 52 -5.180 12.011 -2.626 415 HZ1 LYS 52 HZ1 LYS 52 -7.058 13.191 -2.158 416 HZ2 LYS 52 HZ2 LYS 52 -6.493 14.040 -3.462 417 HZ3 LYS 52 HZ3 LYS 52 -6.323 14.624 -1.953 418 H THR 53 H THR 53 -4.429 17.972 0.294 419 HA THR 53 HA THR 53 -2.510 18.490 -1.679 420 HB THR 53 HB THR 53 -3.747 20.696 -1.868 421 HG1 THR 53 HG1 THR 53 -5.727 20.726 -0.681 422 HG21 THR 53 HG21 THR 53 -5.781 19.646 -2.725 423 HG22 THR 53 HG22 THR 53 -5.474 18.175 -1.785 424 HG23 THR 53 HG23 THR 53 -4.384 18.630 -3.113 425 H ASN 54 H ASN 54 -2.534 19.452 1.672 426 HA ASN 54 HA ASN 54 -0.099 21.144 1.185 427 HB2 ASN 54 HB2 ASN 54 -2.028 22.421 2.026 428 HB3 ASN 54 HB3 ASN 54 -2.144 21.344 3.424 429 HD21 ASN 54 HD21 ASN 54 -0.789 24.247 2.278 430 HD22 ASN 54 HD22 ASN 54 0.220 24.489 3.701 431 H GLY 55 H GLY 55 -1.679 19.016 3.658 432 HA2 GLY 55 HA2 GLY 55 0.779 17.573 4.145 433 HA3 GLY 55 HA3 GLY 55 0.326 18.688 5.458 434 H GLY 56 H GLY 56 -0.449 15.788 3.751 435 HA2 GLY 56 HA2 GLY 56 -3.054 15.337 5.094 436 HA3 GLY 56 HA3 GLY 56 -2.306 14.330 3.846 437 H CYS 57 H CYS 57 -3.423 13.177 6.024 438 HA CYS 57 HA CYS 57 -1.825 12.652 8.260 439 HB2 CYS 57 HB2 CYS 57 -3.453 10.411 7.153 440 HB3 CYS 57 HB3 CYS 57 -3.443 11.120 8.759 441 HA PRO 58 HA PRO 58 1.336 9.975 6.742 442 HB2 PRO 58 HB2 PRO 58 1.377 7.731 8.392 443 HB3 PRO 58 HB3 PRO 58 2.063 9.330 8.798 444 HG2 PRO 58 HG2 PRO 58 -0.625 8.185 9.579 445 HG3 PRO 58 HG3 PRO 58 0.531 9.112 10.587 446 HD2 PRO 58 HD2 PRO 58 -1.649 10.271 9.470 447 HD3 PRO 58 HD3 PRO 58 -0.114 11.164 9.592 448 H ILE 59 H ILE 59 -1.715 8.271 7.344 449 HA ILE 59 HA ILE 59 -1.485 6.026 5.758 450 HB ILE 59 HB ILE 59 -3.999 7.732 6.045 451 HG12 ILE 59 HG12 ILE 59 -2.823 5.665 7.937 452 HG13 ILE 59 HG13 ILE 59 -2.997 7.382 8.262 453 HG21 ILE 59 HG21 ILE 59 -3.703 4.714 5.681 454 HG22 ILE 59 HG22 ILE 59 -5.223 5.636 5.735 455 HG23 ILE 59 HG23 ILE 59 -4.133 5.825 4.379 456 HD11 ILE 59 HD11 ILE 59 -4.687 6.208 9.451 457 HD12 ILE 59 HD12 ILE 59 -5.462 7.173 8.169 458 HD13 ILE 59 HD13 ILE 59 -5.273 5.407 7.999 459 H CYS 60 H CYS 60 -2.433 9.352 4.685 460 HA CYS 60 HA CYS 60 -3.180 8.772 2.083 461 HB2 CYS 60 HB2 CYS 60 -1.676 11.208 3.151 462 HB3 CYS 60 HB3 CYS 60 -2.700 11.185 1.725 463 H LYS 61 H LYS 61 0.044 9.380 3.398 464 HA LYS 61 HA LYS 61 1.383 9.100 0.795 465 HB2 LYS 61 HB2 LYS 61 2.399 9.482 3.642 466 HB3 LYS 61 HB3 LYS 61 3.470 9.243 2.253 467 HG2 LYS 61 HG2 LYS 61 2.539 11.201 1.118 468 HG3 LYS 61 HG3 LYS 61 1.354 11.439 2.404 469 HD2 LYS 61 HD2 LYS 61 3.141 13.039 2.599 470 HD3 LYS 61 HD3 LYS 61 3.119 11.970 4.011 471 HE2 LYS 61 HE2 LYS 61 5.065 10.785 3.273 472 HE3 LYS 61 HE3 LYS 61 4.952 11.455 1.637 473 HZ1 LYS 61 HZ1 LYS 61 5.413 13.192 3.970 474 HZ2 LYS 61 HZ2 LYS 61 5.645 13.537 2.397 475 HZ3 LYS 61 HZ3 LYS 61 6.666 12.485 3.128 476 H GLN 62 H GLN 62 0.956 7.071 3.742 477 HA GLN 62 HA GLN 62 2.691 4.993 2.852 478 HB2 GLN 62 HB2 GLN 62 0.281 4.838 4.689 479 HB3 GLN 62 HB3 GLN 62 1.494 3.578 4.475 480 HG2 GLN 62 HG2 GLN 62 1.545 5.967 6.170 481 HG3 GLN 62 HG3 GLN 62 2.362 4.439 6.350 482 HE21 GLN 62 HE21 GLN 62 3.062 7.619 6.186 483 HE22 GLN 62 HE22 GLN 62 4.661 7.497 5.460 484 H LEU 63 H LEU 63 -0.797 5.514 2.254 485 HA LEU 63 HA LEU 63 -1.286 3.003 1.035 486 HB2 LEU 63 HB2 LEU 63 -3.129 4.527 1.510 487 HB3 LEU 63 HB3 LEU 63 -2.479 5.736 0.397 488 HG LEU 63 HG LEU 63 -2.906 4.246 -1.540 489 HD11 LEU 63 HD11 LEU 63 -4.391 2.192 -1.159 490 HD12 LEU 63 HD12 LEU 63 -3.924 2.316 0.567 491 HD13 LEU 63 HD13 LEU 63 -2.699 2.008 -0.670 492 HD21 LEU 63 HD21 LEU 63 -5.342 4.448 0.242 493 HD22 LEU 63 HD22 LEU 63 -5.335 4.322 -1.526 494 HD23 LEU 63 HD23 LEU 63 -4.686 5.769 -0.727 495 H ILE 64 H ILE 64 0.078 6.027 -0.332 496 HA ILE 64 HA ILE 64 0.284 4.997 -3.002 497 HB ILE 64 HB ILE 64 1.414 7.384 -1.511 498 HG12 ILE 64 HG12 ILE 64 -0.348 7.052 -4.000 499 HG13 ILE 64 HG13 ILE 64 -0.934 7.166 -2.326 500 HG21 ILE 64 HG21 ILE 64 2.424 8.169 -3.699 501 HG22 ILE 64 HG22 ILE 64 3.284 6.826 -2.955 502 HG23 ILE 64 HG23 ILE 64 2.226 6.501 -4.307 503 HD11 ILE 64 HD11 ILE 64 0.456 9.359 -3.813 504 HD12 ILE 64 HD12 ILE 64 -1.236 9.288 -3.256 505 HD13 ILE 64 HD13 ILE 64 0.073 9.391 -2.068 506 H ALA 65 H ALA 65 2.515 5.018 -0.190 507 HA ALA 65 HA ALA 65 4.812 4.100 -1.531 508 HB1 ALA 65 HB1 ALA 65 5.608 3.380 0.668 509 HB2 ALA 65 HB2 ALA 65 4.795 4.944 0.824 510 HB3 ALA 65 HB3 ALA 65 3.980 3.443 1.338 511 H LEU 66 H LEU 66 2.172 2.245 0.020 512 HA LEU 66 HA LEU 66 3.345 -0.295 -0.764 513 HB2 LEU 66 HB2 LEU 66 1.931 0.095 1.297 514 HB3 LEU 66 HB3 LEU 66 0.528 0.265 0.233 515 HG LEU 66 HG LEU 66 0.913 -2.048 -0.619 516 HD11 LEU 66 HD11 LEU 66 3.290 -2.436 -0.344 517 HD12 LEU 66 HD12 LEU 66 2.494 -3.527 0.792 518 HD13 LEU 66 HD13 LEU 66 3.219 -2.032 1.390 519 HD21 LEU 66 HD21 LEU 66 -0.555 -1.554 1.333 520 HD22 LEU 66 HD22 LEU 66 0.790 -1.968 2.419 521 HD23 LEU 66 HD23 LEU 66 0.100 -3.186 1.310 522 H ALA 67 H ALA 67 0.586 1.697 -1.977 523 HA ALA 67 HA ALA 67 -0.324 -0.082 -3.929 524 HB1 ALA 67 HB1 ALA 67 -1.223 1.988 -5.109 525 HB2 ALA 67 HB2 ALA 67 -1.649 1.869 -3.390 526 HB3 ALA 67 HB3 ALA 67 -0.357 2.965 -3.911 527 H ALA 68 H ALA 68 2.568 1.905 -3.919 528 HA ALA 68 HA ALA 68 3.214 2.104 -6.619 529 HB1 ALA 68 HB1 ALA 68 4.502 3.002 -4.567 530 HB2 ALA 68 HB2 ALA 68 5.226 1.360 -4.442 531 HB3 ALA 68 HB3 ALA 68 5.473 2.323 -5.892 532 H TYR 69 H TYR 69 3.555 -0.696 -4.401 533 HA TYR 69 HA TYR 69 5.102 -2.295 -6.197 534 HB2 TYR 69 HB2 TYR 69 3.555 -2.803 -3.666 535 HB3 TYR 69 HB3 TYR 69 3.931 -4.161 -4.720 536 HD1 TYR 69 HD1 TYR 69 6.238 -1.224 -4.367 537 HD2 TYR 69 HD2 TYR 69 5.346 -5.298 -3.209 538 HE1 TYR 69 HE1 TYR 69 8.544 -1.512 -3.770 539 HE2 TYR 69 HE2 TYR 69 7.695 -5.599 -2.510 540 HH TYR 69 HH TYR 69 10.232 -3.304 -3.471 541 H HIS 70 H HIS 70 1.603 -1.799 -5.838 542 HA HIS 70 HA HIS 70 0.955 -4.018 -7.637 543 HB2 HIS 70 HB2 HIS 70 -0.711 -3.577 -6.035 544 HB3 HIS 70 HB3 HIS 70 -0.553 -1.834 -6.195 545 HD1 HIS 70 HD1 HIS 70 -2.050 -4.825 -8.159 546 HD2 HIS 70 HD2 HIS 70 -1.763 -0.610 -8.201 547 HE1 HIS 70 HE1 HIS 70 -3.603 -4.003 -9.990 548 H ALA 71 H ALA 71 1.189 -0.427 -7.743 549 HA ALA 71 HA ALA 71 0.335 0.011 -10.333 550 HB1 ALA 71 HB1 ALA 71 1.592 2.109 -10.186 551 HB2 ALA 71 HB2 ALA 71 0.783 1.761 -8.661 552 HB3 ALA 71 HB3 ALA 71 2.535 1.479 -8.818 553 H LYS 72 H LYS 72 3.707 -0.845 -9.347 554 HA LYS 72 HA LYS 72 4.739 -0.723 -12.013 555 HB2 LYS 72 HB2 LYS 72 6.660 -1.975 -11.189 556 HB3 LYS 72 HB3 LYS 72 6.235 -0.663 -10.101 557 HG2 LYS 72 HG2 LYS 72 5.336 -2.156 -8.472 558 HG3 LYS 72 HG3 LYS 72 5.288 -3.504 -9.601 559 HD2 LYS 72 HD2 LYS 72 7.663 -3.738 -9.599 560 HD3 LYS 72 HD3 LYS 72 7.897 -2.177 -8.794 561 HE2 LYS 72 HE2 LYS 72 8.223 -4.213 -7.329 562 HE3 LYS 72 HE3 LYS 72 7.097 -3.001 -6.697 563 HZ1 LYS 72 HZ1 LYS 72 6.393 -5.353 -6.528 564 HZ2 LYS 72 HZ2 LYS 72 6.285 -5.405 -8.167 565 HZ3 LYS 72 HZ3 LYS 72 5.288 -4.403 -7.358 566 H HIS 73 H HIS 73 2.482 -2.987 -10.893 567 HA HIS 73 HA HIS 73 3.336 -5.045 -12.869 568 HB2 HIS 73 HB2 HIS 73 1.699 -5.322 -10.325 569 HB3 HIS 73 HB3 HIS 73 1.970 -6.595 -11.500 570 HD1 HIS 73 HD1 HIS 73 2.880 -7.124 -8.559 571 HD2 HIS 73 HD2 HIS 73 5.312 -5.464 -11.593 572 HE1 HIS 73 HE1 HIS 73 5.306 -7.414 -7.833 573 H CYS 74 H CYS 74 1.049 -2.583 -12.086 574 HA CYS 74 HA CYS 74 -1.223 -3.841 -13.381 575 HB2 CYS 74 HB2 CYS 74 -1.341 -2.127 -11.519 576 HB3 CYS 74 HB3 CYS 74 -0.736 -0.920 -12.667 577 H GLN 75 H GLN 75 -1.588 -3.822 -15.478 578 HA GLN 75 HA GLN 75 -0.227 -1.910 -17.331 579 HB2 GLN 75 HB2 GLN 75 -0.627 -4.880 -17.716 580 HB3 GLN 75 HB3 GLN 75 0.100 -3.748 -18.886 581 HG2 GLN 75 HG2 GLN 75 1.720 -3.188 -16.884 582 HG3 GLN 75 HG3 GLN 75 1.169 -4.738 -16.241 583 HE21 GLN 75 HE21 GLN 75 3.736 -5.147 -16.526 584 HE22 GLN 75 HE22 GLN 75 4.295 -5.450 -18.156 585 H GLU 76 H GLU 76 -2.874 -2.816 -16.137 586 HA GLU 76 HA GLU 76 -4.724 -3.236 -18.377 587 HB2 GLU 76 HB2 GLU 76 -5.518 -2.212 -15.613 588 HB3 GLU 76 HB3 GLU 76 -6.541 -3.040 -16.781 589 HG2 GLU 76 HG2 GLU 76 -4.254 -4.240 -15.221 590 HG3 GLU 76 HG3 GLU 76 -5.972 -4.506 -14.931 591 H ASN 77 H ASN 77 -6.672 -1.719 -18.642 592 HA ASN 77 HA ASN 77 -5.748 0.762 -19.688 593 HB2 ASN 77 HB2 ASN 77 -8.605 -0.097 -19.006 594 HB3 ASN 77 HB3 ASN 77 -8.189 1.348 -19.908 595 HD21 ASN 77 HD21 ASN 77 -6.381 0.597 -21.866 596 HD22 ASN 77 HD22 ASN 77 -7.175 -0.598 -22.840 597 H LYS 78 H LYS 78 -8.029 0.319 -16.914 598 HA LYS 78 HA LYS 78 -6.654 2.434 -15.414 599 HB2 LYS 78 HB2 LYS 78 -9.608 2.654 -16.137 600 HB3 LYS 78 HB3 LYS 78 -8.795 3.624 -14.912 601 HG2 LYS 78 HG2 LYS 78 -8.107 3.645 -17.876 602 HG3 LYS 78 HG3 LYS 78 -9.153 4.798 -17.063 603 HD2 LYS 78 HD2 LYS 78 -7.370 5.738 -15.783 604 HD3 LYS 78 HD3 LYS 78 -6.273 4.421 -16.186 605 HE2 LYS 78 HE2 LYS 78 -5.665 6.382 -17.457 606 HE3 LYS 78 HE3 LYS 78 -6.208 5.086 -18.523 607 HZ1 LYS 78 HZ1 LYS 78 -7.035 7.298 -19.091 608 HZ2 LYS 78 HZ2 LYS 78 -7.879 7.379 -17.709 609 HZ3 LYS 78 HZ3 LYS 78 -8.262 6.230 -18.861 610 H CYS 79 H CYS 79 -6.089 1.021 -13.953 611 HA CYS 79 HA CYS 79 -7.365 -1.202 -12.955 612 HB2 CYS 79 HB2 CYS 79 -5.000 -0.026 -12.568 613 HB3 CYS 79 HB3 CYS 79 -5.795 0.628 -11.115 614 HA PRO 80 HA PRO 80 -10.848 0.361 -10.592 615 HB2 PRO 80 HB2 PRO 80 -11.032 -1.452 -8.514 616 HB3 PRO 80 HB3 PRO 80 -11.516 -1.815 -10.196 617 HG2 PRO 80 HG2 PRO 80 -8.788 -2.343 -8.917 618 HG3 PRO 80 HG3 PRO 80 -9.824 -3.533 -9.747 619 HD2 PRO 80 HD2 PRO 80 -7.954 -2.420 -11.162 620 HD3 PRO 80 HD3 PRO 80 -9.570 -2.358 -11.862 621 H VAL 81 H VAL 81 -7.670 0.023 -9.133 622 HA VAL 81 HA VAL 81 -8.409 1.454 -6.704 623 HB VAL 81 HB VAL 81 -5.631 0.709 -7.707 624 HG11 VAL 81 HG11 VAL 81 -5.645 2.508 -6.031 625 HG12 VAL 81 HG12 VAL 81 -6.780 1.597 -5.025 626 HG13 VAL 81 HG13 VAL 81 -5.114 1.014 -5.241 627 HG21 VAL 81 HG21 VAL 81 -6.990 -1.345 -7.351 628 HG22 VAL 81 HG22 VAL 81 -5.736 -1.158 -6.128 629 HG23 VAL 81 HG23 VAL 81 -7.420 -0.758 -5.727 630 HA PRO 82 HA PRO 82 -7.895 5.162 -9.266 631 HB2 PRO 82 HB2 PRO 82 -8.399 7.059 -7.290 632 HB3 PRO 82 HB3 PRO 82 -9.652 6.183 -8.220 633 HG2 PRO 82 HG2 PRO 82 -8.647 5.709 -5.437 634 HG3 PRO 82 HG3 PRO 82 -10.305 5.495 -6.081 635 HD2 PRO 82 HD2 PRO 82 -8.464 3.436 -5.659 636 HD3 PRO 82 HD3 PRO 82 -9.792 3.312 -6.806 637 H PHE 83 H PHE 83 -6.151 4.463 -6.274 638 HA PHE 83 HA PHE 83 -4.262 6.649 -6.585 639 HB2 PHE 83 HB2 PHE 83 -4.588 4.349 -4.692 640 HB3 PHE 83 HB3 PHE 83 -3.015 5.097 -4.869 641 HD1 PHE 83 HD1 PHE 83 -6.421 6.845 -4.932 642 HD2 PHE 83 HD2 PHE 83 -2.670 6.199 -2.902 643 HE1 PHE 83 HE1 PHE 83 -6.941 8.694 -3.382 644 HE2 PHE 83 HE2 PHE 83 -3.180 8.109 -1.367 645 HZ PHE 83 HZ PHE 83 -5.326 9.333 -1.590 646 H CYS 84 H CYS 84 -4.455 3.322 -7.769 647 HA CYS 84 HA CYS 84 -1.730 2.844 -8.332 648 HB2 CYS 84 HB2 CYS 84 -3.449 1.102 -8.408 649 HB3 CYS 84 HB3 CYS 84 -4.359 1.966 -9.645 650 H LEU 85 H LEU 85 -4.261 3.934 -10.618 651 HA LEU 85 HA LEU 85 -2.431 4.793 -12.588 652 HB2 LEU 85 HB2 LEU 85 -4.298 5.819 -13.730 653 HB3 LEU 85 HB3 LEU 85 -4.729 4.251 -13.084 654 HG LEU 85 HG LEU 85 -5.579 5.855 -11.022 655 HD11 LEU 85 HD11 LEU 85 -6.763 7.795 -11.933 656 HD12 LEU 85 HD12 LEU 85 -6.125 7.460 -13.554 657 HD13 LEU 85 HD13 LEU 85 -5.032 7.959 -12.256 658 HD21 LEU 85 HD21 LEU 85 -7.190 5.112 -13.481 659 HD22 LEU 85 HD22 LEU 85 -7.848 5.557 -11.895 660 HD23 LEU 85 HD23 LEU 85 -6.891 4.083 -12.064 661 H ASN 86 H ASN 86 -3.693 6.515 -9.797 662 HA ASN 86 HA ASN 86 -2.871 9.139 -10.579 663 HB2 ASN 86 HB2 ASN 86 -4.409 8.468 -8.681 664 HB3 ASN 86 HB3 ASN 86 -2.959 8.054 -7.761 665 HD21 ASN 86 HD21 ASN 86 -2.711 9.695 -6.276 666 HD22 ASN 86 HD22 ASN 86 -3.031 11.407 -6.591 667 H ILE 87 H ILE 87 -1.035 6.467 -8.948 668 HA ILE 87 HA ILE 87 1.258 7.989 -8.254 669 HB ILE 87 HB ILE 87 0.772 5.064 -8.938 670 HG12 ILE 87 HG12 ILE 87 1.588 6.361 -6.316 671 HG13 ILE 87 HG13 ILE 87 -0.084 6.275 -6.779 672 HG21 ILE 87 HG21 ILE 87 3.355 6.213 -7.828 673 HG22 ILE 87 HG22 ILE 87 2.964 4.512 -8.085 674 HG23 ILE 87 HG23 ILE 87 3.148 5.567 -9.480 675 HD11 ILE 87 HD11 ILE 87 1.689 3.871 -6.323 676 HD12 ILE 87 HD12 ILE 87 0.381 4.477 -5.297 677 HD13 ILE 87 HD13 ILE 87 -0.000 3.815 -6.897 678 H LYS 88 H LYS 88 0.333 6.337 -11.346 679 HA LYS 88 HA LYS 88 2.728 6.973 -12.732 680 HB2 LYS 88 HB2 LYS 88 -0.072 6.688 -13.910 681 HB3 LYS 88 HB3 LYS 88 1.436 6.566 -14.796 682 HG2 LYS 88 HG2 LYS 88 0.620 4.677 -12.545 683 HG3 LYS 88 HG3 LYS 88 0.313 4.377 -14.243 684 HD2 LYS 88 HD2 LYS 88 3.134 4.808 -13.157 685 HD3 LYS 88 HD3 LYS 88 2.321 3.248 -13.218 686 HE2 LYS 88 HE2 LYS 88 1.926 3.770 -15.736 687 HE3 LYS 88 HE3 LYS 88 3.205 4.987 -15.545 688 HZ1 LYS 88 HZ1 LYS 88 4.000 2.768 -16.273 689 HZ2 LYS 88 HZ2 LYS 88 3.437 2.107 -14.920 690 HZ3 LYS 88 HZ3 LYS 88 4.686 3.170 -14.824 691 H GLN 89 H GLN 89 -0.044 9.056 -11.956 692 HA GLN 89 HA GLN 89 0.492 10.953 -14.062 693 HB2 GLN 89 HB2 GLN 89 -0.883 11.375 -11.366 694 HB3 GLN 89 HB3 GLN 89 -0.832 12.530 -12.670 695 HG2 GLN 89 HG2 GLN 89 -2.204 9.822 -12.723 696 HG3 GLN 89 HG3 GLN 89 -2.979 11.402 -12.700 697 HE21 GLN 89 HE21 GLN 89 -1.867 12.900 -14.670 698 HE22 GLN 89 HE22 GLN 89 -1.796 12.046 -16.199 699 H LYS 90 H LYS 90 1.827 10.401 -10.883 700 HA LYS 90 HA LYS 90 3.288 12.981 -10.903 701 HB2 LYS 90 HB2 LYS 90 3.168 10.691 -8.921 702 HB3 LYS 90 HB3 LYS 90 4.171 12.129 -8.689 703 HG2 LYS 90 HG2 LYS 90 2.255 13.573 -8.610 704 HG3 LYS 90 HG3 LYS 90 1.156 12.273 -9.099 705 HD2 LYS 90 HD2 LYS 90 2.871 12.139 -6.576 706 HD3 LYS 90 HD3 LYS 90 1.250 12.821 -6.582 707 HE2 LYS 90 HE2 LYS 90 1.922 9.965 -7.412 708 HE3 LYS 90 HE3 LYS 90 1.317 10.468 -5.824 709 HZ1 LYS 90 HZ1 LYS 90 -0.582 9.890 -6.931 710 HZ2 LYS 90 HZ2 LYS 90 -0.082 10.456 -8.391 711 HZ3 LYS 90 HZ3 LYS 90 -0.561 11.516 -7.250 712 H GLY 91 H GLY 91 4.097 9.470 -10.955 713 HA2 GLY 91 HA2 GLY 91 5.930 8.465 -11.956 714 HA3 GLY 91 HA3 GLY 91 6.611 10.052 -12.328 715 H GLY 92 H GLY 92 6.090 10.574 -9.196 716 HA2 GLY 92 HA2 GLY 92 7.126 9.877 -7.169 717 HA3 GLY 92 HA3 GLY 92 8.351 8.995 -8.081 718 H SER 93 H SER 93 7.590 12.262 -9.149 719 HA SER 93 HA SER 93 10.132 13.242 -9.107 720 HB2 SER 93 HB2 SER 93 8.905 15.501 -9.129 721 HB3 SER 93 HB3 SER 93 8.454 14.320 -10.363 722 HG SER 93 HG SER 93 7.044 14.959 -7.977 723 H GLY 94 H GLY 94 11.436 14.372 -7.708 724 HA2 GLY 94 HA2 GLY 94 11.252 15.858 -5.589 725 HA3 GLY 94 HA3 GLY 94 10.687 14.372 -4.830 726 H GLY 95 H GLY 95 13.260 14.483 -7.352 727 HA2 GLY 95 HA2 GLY 95 15.475 13.926 -7.248 728 HA3 GLY 95 HA3 GLY 95 15.464 14.529 -5.594 729 H GLY 96 H GLY 96 13.319 11.885 -6.366 730 HA2 GLY 96 HA2 GLY 96 13.289 9.671 -5.778 731 HA3 GLY 96 HA3 GLY 96 15.050 9.673 -5.929 732 H THR 97 H THR 97 12.693 11.255 -3.640 733 HA THR 97 HA THR 97 14.328 11.097 -1.356 734 HB THR 97 HB THR 97 11.778 11.127 -0.349 735 HG1 THR 97 HG1 THR 97 10.907 10.792 -2.484 736 HG21 THR 97 HG21 THR 97 13.158 13.430 -1.763 737 HG22 THR 97 HG22 THR 97 13.425 12.920 -0.089 738 HG23 THR 97 HG23 THR 97 11.855 13.585 -0.556 739 H GLY 98 H GLY 98 13.794 9.791 0.677 740 HA2 GLY 98 HA2 GLY 98 13.360 7.813 1.764 741 HA3 GLY 98 HA3 GLY 98 12.449 7.241 0.359 742 H GLY 99 H GLY 99 15.821 8.361 0.764 743 HA2 GLY 99 HA2 GLY 99 17.850 7.485 0.204 744 HA3 GLY 99 HA3 GLY 99 17.134 5.917 0.576 745 H GLY 100 H GLY 100 15.313 7.043 -1.973 746 HA2 GLY 100 HA2 GLY 100 15.437 6.876 -4.287 747 HA3 GLY 100 HA3 GLY 100 17.159 6.467 -4.176 748 H SER 101 H SER 101 14.626 4.833 -2.269 749 HA SER 101 HA SER 101 15.470 2.225 -2.982 750 HB2 SER 101 HB2 SER 101 13.578 1.527 -1.630 751 HB3 SER 101 HB3 SER 101 14.369 2.911 -0.855 752 HG SER 101 HG SER 101 12.438 3.685 -0.841 753 H GLY 102 H GLY 102 13.582 0.577 -3.673 754 HA2 GLY 102 HA2 GLY 102 11.621 0.336 -5.098 755 HA3 GLY 102 HA3 GLY 102 12.247 1.614 -6.136 756 H THR 103 H THR 103 14.778 -0.515 -5.034 757 HA THR 103 HA THR 103 15.269 -1.449 -7.701 758 HB THR 103 HB THR 103 16.358 -2.273 -4.966 759 HG1 THR 103 HG1 THR 103 18.023 -0.888 -5.538 760 HG21 THR 103 HG21 THR 103 16.771 -4.081 -6.594 761 HG22 THR 103 HG22 THR 103 18.263 -3.240 -6.215 762 HG23 THR 103 HG23 THR 103 17.440 -2.905 -7.755 763 H ILE 104 H ILE 104 14.531 -3.330 -8.663 764 HA ILE 104 HA ILE 104 12.332 -4.756 -7.402 765 HB ILE 104 HB ILE 104 13.908 -5.195 -9.982 766 HG12 ILE 104 HG12 ILE 104 11.071 -4.171 -9.478 767 HG13 ILE 104 HG13 ILE 104 12.469 -3.161 -9.822 768 HG21 ILE 104 HG21 ILE 104 11.379 -6.675 -9.119 769 HG22 ILE 104 HG22 ILE 104 12.221 -6.837 -10.669 770 HG23 ILE 104 HG23 ILE 104 13.001 -7.386 -9.209 771 HD11 ILE 104 HD11 ILE 104 11.184 -5.140 -11.725 772 HD12 ILE 104 HD12 ILE 104 11.209 -3.378 -11.843 773 HD13 ILE 104 HD13 ILE 104 12.722 -4.292 -12.038 774 H GLU 105 H GLU 105 15.553 -5.851 -8.583 775 HA GLU 105 HA GLU 105 16.122 -7.345 -6.109 776 HB2 GLU 105 HB2 GLU 105 15.947 -8.480 -8.922 777 HB3 GLU 105 HB3 GLU 105 16.743 -9.319 -7.617 778 HG2 GLU 105 HG2 GLU 105 14.704 -9.696 -6.430 779 HG3 GLU 105 HG3 GLU 105 13.791 -8.607 -7.476 780 H GLY 106 H GLY 106 18.420 -8.250 -6.411 781 HA2 GLY 106 HA2 GLY 106 20.534 -8.291 -7.440 782 HA3 GLY 106 HA3 GLY 106 20.188 -6.805 -8.301 783 H ARG 107 H ARG 107 19.211 -5.688 -5.462 784 HA ARG 107 HA ARG 107 21.481 -5.558 -3.786 785 HB2 ARG 107 HB2 ARG 107 22.324 -3.375 -4.205 786 HB3 ARG 107 HB3 ARG 107 22.493 -4.324 -5.663 787 HG2 ARG 107 HG2 ARG 107 20.703 -3.189 -6.776 788 HG3 ARG 107 HG3 ARG 107 20.162 -2.409 -5.269 789 HD2 ARG 107 HD2 ARG 107 22.337 -1.288 -5.066 790 HD3 ARG 107 HD3 ARG 107 22.827 -1.945 -6.634 791 HE ARG 107 HE ARG 107 20.710 0.050 -6.016 792 HH11 ARG 107 HH11 ARG 107 22.430 -1.764 -8.604 793 HH12 ARG 107 HH12 ARG 107 21.772 -0.833 -9.879 794 HH21 ARG 107 HH21 ARG 107 19.975 1.388 -7.735 795 HH22 ARG 107 HH22 ARG 107 20.420 1.045 -9.382 796 H GLY 108 H GLY 108 21.150 -3.054 -2.584 797 HA2 GLY 108 HA2 GLY 108 19.857 -1.804 -1.275 798 HA3 GLY 108 HA3 GLY 108 18.470 -2.158 -2.319 799 H ASP 109 H ASP 109 20.564 -4.074 -0.176 800 HA ASP 109 HA ASP 109 20.243 -5.775 1.235 801 HB2 ASP 109 HB2 ASP 109 18.469 -3.579 2.328 802 HB3 ASP 109 HB3 ASP 109 18.942 -5.001 3.248 803 H GLY 110 H GLY 110 17.873 -5.581 -0.902 804 HA2 GLY 110 HA2 GLY 110 16.821 -8.097 -0.867 805 HA3 GLY 110 HA3 GLY 110 15.900 -7.290 0.405 806 H GLY 111 H GLY 111 16.579 -4.809 -1.679 807 HA2 GLY 111 HA2 GLY 111 15.577 -3.865 -3.529 808 HA3 GLY 111 HA3 GLY 111 14.526 -5.281 -3.730 809 H THR 112 H THR 112 13.472 -5.527 -1.195 810 HA THR 112 HA THR 112 11.335 -3.761 -0.987 811 HB THR 112 HB THR 112 11.127 -5.033 1.275 812 HG1 THR 112 HG1 THR 112 13.333 -5.512 1.545 813 HG21 THR 112 HG21 THR 112 11.418 -6.727 -1.225 814 HG22 THR 112 HG22 THR 112 10.002 -5.743 -0.801 815 HG23 THR 112 HG23 THR 112 10.473 -7.100 0.219 816 H THR 113 H THR 113 14.423 -2.787 -0.250 817 HA THR 113 HA THR 113 14.403 -1.868 2.314 818 HB THR 113 HB THR 113 16.293 -1.815 0.721 819 HG1 THR 113 HG1 THR 113 15.614 0.400 2.287 820 HG21 THR 113 HG21 THR 113 16.657 0.081 -0.744 821 HG22 THR 113 HG22 THR 113 15.186 0.870 -0.157 822 HG23 THR 113 HG23 THR 113 15.082 -0.606 -1.159 823 H PHE 114 H PHE 114 12.183 -0.709 -0.070 824 HA PHE 114 HA PHE 114 11.772 1.966 0.831 825 HB2 PHE 114 HB2 PHE 114 9.782 1.953 -0.373 826 HB3 PHE 114 HB3 PHE 114 10.769 0.809 -1.269 827 HD1 PHE 114 HD1 PHE 114 7.703 1.327 0.638 828 HD2 PHE 114 HD2 PHE 114 10.362 -1.714 -0.877 829 HE1 PHE 114 HE1 PHE 114 5.987 -0.396 1.076 830 HE2 PHE 114 HE2 PHE 114 8.674 -3.443 -0.354 831 HZ PHE 114 HZ PHE 114 6.487 -2.808 0.611 832 H GLU 115 H GLU 115 10.984 -1.197 2.163 833 HA GLU 115 HA GLU 115 8.957 -0.698 3.926 834 HB2 GLU 115 HB2 GLU 115 9.627 -2.642 5.090 835 HB3 GLU 115 HB3 GLU 115 10.026 -2.927 3.408 836 HG2 GLU 115 HG2 GLU 115 12.427 -2.524 3.889 837 HG3 GLU 115 HG3 GLU 115 12.043 -2.041 5.542 838 H HIS 116 H HIS 116 12.203 0.581 4.098 839 HA HIS 116 HA HIS 116 12.483 0.973 6.854 840 HB2 HIS 116 HB2 HIS 116 14.182 2.406 6.366 841 HB3 HIS 116 HB3 HIS 116 14.155 1.451 4.908 842 HD1 HIS 116 HD1 HIS 116 13.990 4.998 6.154 843 HD2 HIS 116 HD2 HIS 116 12.970 2.830 2.675 844 HE1 HIS 116 HE1 HIS 116 13.727 6.686 4.298 845 H LEU 117 H LEU 117 10.256 2.575 4.620 846 HA LEU 117 HA LEU 117 9.772 4.973 6.092 847 HB2 LEU 117 HB2 LEU 117 8.148 3.329 4.122 848 HB3 LEU 117 HB3 LEU 117 7.361 4.563 5.094 849 HG LEU 117 HG LEU 117 9.147 6.204 4.283 850 HD11 LEU 117 HD11 LEU 117 10.115 5.774 2.087 851 HD12 LEU 117 HD12 LEU 117 9.382 4.158 2.048 852 HD13 LEU 117 HD13 LEU 117 10.642 4.528 3.234 853 HD21 LEU 117 HD21 LEU 117 7.060 5.109 2.354 854 HD22 LEU 117 HD22 LEU 117 7.817 6.710 2.248 855 HD23 LEU 117 HD23 LEU 117 6.779 6.309 3.623 856 H TRP 118 H TRP 118 8.451 1.643 6.449 857 HA TRP 118 HA TRP 118 6.467 2.233 8.339 858 HB2 TRP 118 HB2 TRP 118 8.119 -0.302 8.235 859 HB3 TRP 118 HB3 TRP 118 6.498 -0.120 8.859 860 HD1 TRP 118 HD1 TRP 118 8.072 -1.663 6.195 861 HE1 TRP 118 HE1 TRP 118 6.603 -1.950 4.064 862 HE3 TRP 118 HE3 TRP 118 4.255 1.478 7.378 863 HZ2 TRP 118 HZ2 TRP 118 4.334 -0.618 2.873 864 HZ3 TRP 118 HZ3 TRP 118 2.434 1.927 5.762 865 HH2 TRP 118 HH2 TRP 118 2.472 0.921 3.495 866 H SER 119 H SER 119 9.950 2.332 8.804 867 HA SER 119 HA SER 119 9.900 1.799 11.653 868 HB2 SER 119 HB2 SER 119 11.902 3.329 9.951 869 HB3 SER 119 HB3 SER 119 12.153 2.819 11.625 870 HG SER 119 HG SER 119 12.344 0.813 11.079 871 H SER 120 H SER 120 8.873 4.537 9.723 872 HA SER 120 HA SER 120 9.216 6.465 11.920 873 HB2 SER 120 HB2 SER 120 7.914 6.766 9.192 874 HB3 SER 120 HB3 SER 120 8.362 8.071 10.302 875 HG SER 120 HG SER 120 10.564 7.436 10.023 876 H LEU 121 H LEU 121 7.115 3.957 11.440 877 HA LEU 121 HA LEU 121 4.668 5.407 12.330 878 HB2 LEU 121 HB2 LEU 121 5.169 3.114 10.460 879 HB3 LEU 121 HB3 LEU 121 3.879 2.856 11.612 880 HG LEU 121 HG LEU 121 2.752 4.908 10.923 881 HD11 LEU 121 HD11 LEU 121 4.556 6.334 10.179 882 HD12 LEU 121 HD12 LEU 121 3.465 6.069 8.819 883 HD13 LEU 121 HD13 LEU 121 5.012 5.177 8.897 884 HD21 LEU 121 HD21 LEU 121 3.497 3.066 8.626 885 HD22 LEU 121 HD22 LEU 121 2.085 4.142 8.677 886 HD23 LEU 121 HD23 LEU 121 2.208 2.804 9.837 887 H GLU 122 H GLU 122 3.328 3.560 13.645 888 HA GLU 122 HA GLU 122 5.172 2.547 15.751 889 HB2 GLU 122 HB2 GLU 122 2.528 4.009 15.974 890 HB3 GLU 122 HB3 GLU 122 3.170 3.046 17.290 891 HG2 GLU 122 HG2 GLU 122 4.683 5.353 15.992 892 HG3 GLU 122 HG3 GLU 122 3.632 5.523 17.390 893 HA PRO 123 HA PRO 123 3.290 -1.271 14.688 894 HB2 PRO 123 HB2 PRO 123 3.529 -2.744 17.008 895 HB3 PRO 123 HB3 PRO 123 4.874 -2.360 15.895 896 HG2 PRO 123 HG2 PRO 123 4.122 -0.923 18.442 897 HG3 PRO 123 HG3 PRO 123 5.742 -1.464 17.893 898 HD2 PRO 123 HD2 PRO 123 4.894 1.087 17.563 899 HD3 PRO 123 HD3 PRO 123 5.889 0.282 16.308 900 H ASP 124 H ASP 124 1.879 0.534 17.420 901 HA ASP 124 HA ASP 124 -0.418 -1.193 17.618 902 HB2 ASP 124 HB2 ASP 124 0.136 1.596 18.683 903 HB3 ASP 124 HB3 ASP 124 -1.367 0.742 18.993 904 H SER 125 H SER 125 0.257 0.275 14.938 905 HA SER 125 HA SER 125 -1.463 2.072 13.966 906 HB2 SER 125 HB2 SER 125 0.345 1.010 12.791 907 HB3 SER 125 HB3 SER 125 -0.569 -0.508 12.649 908 HG SER 125 HG SER 125 -0.568 0.910 10.798 909 H THR 126 H THR 126 -3.489 2.203 14.786 910 HA THR 126 HA THR 126 -5.408 0.106 14.836 911 HB THR 126 HB THR 126 -5.339 2.079 16.298 912 HG1 THR 126 HG1 THR 126 -7.314 1.010 15.916 913 HG21 THR 126 HG21 THR 126 -4.636 3.860 14.781 914 HG22 THR 126 HG22 THR 126 -6.179 4.287 15.507 915 HG23 THR 126 HG23 THR 126 -6.130 3.702 13.837 916 H TYR 127 H TYR 127 -4.153 1.568 12.138 917 HA TYR 127 HA TYR 127 -6.687 1.324 10.566 918 HB2 TYR 127 HB2 TYR 127 -5.731 3.064 9.151 919 HB3 TYR 127 HB3 TYR 127 -5.905 3.590 10.811 920 HD1 TYR 127 HD1 TYR 127 -3.469 2.679 8.150 921 HD2 TYR 127 HD2 TYR 127 -3.904 4.046 12.240 922 HE1 TYR 127 HE1 TYR 127 -1.179 3.431 8.142 923 HE2 TYR 127 HE2 TYR 127 -1.510 4.667 12.272 924 HH TYR 127 HH TYR 127 0.331 5.238 10.848 925 H PHE 128 H PHE 128 -3.418 0.023 10.799 926 HA PHE 128 HA PHE 128 -3.856 -1.396 8.223 927 HB2 PHE 128 HB2 PHE 128 -1.693 0.330 9.134 928 HB3 PHE 128 HB3 PHE 128 -1.085 -1.289 8.907 929 HD1 PHE 128 HD1 PHE 128 0.298 -0.827 7.051 930 HD2 PHE 128 HD2 PHE 128 -3.783 0.477 6.919 931 HE1 PHE 128 HE1 PHE 128 0.550 -0.336 4.634 932 HE2 PHE 128 HE2 PHE 128 -3.510 1.068 4.507 933 HZ PHE 128 HZ PHE 128 -1.376 0.578 3.340 934 H ASP 129 H ASP 129 -1.723 -3.202 8.518 935 HA ASP 129 HA ASP 129 -3.009 -5.137 10.370 936 HB2 ASP 129 HB2 ASP 129 -2.454 -5.800 8.031 937 HB3 ASP 129 HB3 ASP 129 -0.753 -5.454 8.340 938 H LEU 130 H LEU 130 -2.119 -5.428 12.321 939 HA LEU 130 HA LEU 130 0.039 -3.823 13.314 940 HB2 LEU 130 HB2 LEU 130 -0.984 -6.409 14.521 941 HB3 LEU 130 HB3 LEU 130 -0.024 -5.173 15.319 942 HG LEU 130 HG LEU 130 -2.899 -4.907 14.353 943 HD11 LEU 130 HD11 LEU 130 -3.402 -4.765 16.785 944 HD12 LEU 130 HD12 LEU 130 -1.689 -5.025 17.155 945 HD13 LEU 130 HD13 LEU 130 -2.631 -6.301 16.368 946 HD21 LEU 130 HD21 LEU 130 -1.242 -2.870 15.893 947 HD22 LEU 130 HD22 LEU 130 -2.955 -2.721 15.461 948 HD23 LEU 130 HD23 LEU 130 -1.726 -2.714 14.195 Start of MODEL 17 1 H1 ALA 1 H ALA 1 20.828 -12.174 -11.876 2 HA ALA 1 HA ALA 1 22.352 -14.131 -10.265 3 HB1 ALA 1 HB1 ALA 1 20.741 -11.696 -9.382 4 HB2 ALA 1 HB2 ALA 1 21.534 -12.853 -8.294 5 HB3 ALA 1 HB3 ALA 1 22.512 -11.844 -9.371 6 H THR 2 H THR 2 21.010 -15.282 -8.595 7 HA THR 2 HA THR 2 18.275 -15.862 -9.622 8 HB THR 2 HB THR 2 20.071 -17.548 -10.083 9 HG1 THR 2 HG1 THR 2 18.728 -19.124 -9.802 10 HG21 THR 2 HG21 THR 2 19.857 -18.237 -7.129 11 HG22 THR 2 HG22 THR 2 21.265 -17.458 -7.854 12 HG23 THR 2 HG23 THR 2 20.795 -19.082 -8.365 13 H GLN 3 H GLN 3 17.180 -17.236 -7.747 14 HA GLN 3 HA GLN 3 16.721 -15.261 -5.579 15 HB2 GLN 3 HB2 GLN 3 15.267 -17.836 -6.378 16 HB3 GLN 3 HB3 GLN 3 14.785 -16.782 -5.047 17 HG2 GLN 3 HG2 GLN 3 14.878 -15.976 -7.991 18 HG3 GLN 3 HG3 GLN 3 13.436 -16.312 -7.033 19 HE21 GLN 3 HE21 GLN 3 15.478 -13.753 -8.090 20 HE22 GLN 3 HE22 GLN 3 14.953 -12.598 -6.867 21 H SER 4 H SER 4 16.249 -16.454 -3.257 22 HA SER 4 HA SER 4 18.057 -18.668 -2.784 23 HB2 SER 4 HB2 SER 4 19.467 -17.300 -1.153 24 HB3 SER 4 HB3 SER 4 19.739 -16.980 -2.865 25 HG SER 4 HG SER 4 18.240 -15.170 -2.585 26 HA PRO 5 HA PRO 5 15.251 -19.192 0.557 27 HB2 PRO 5 HB2 PRO 5 16.678 -20.469 2.511 28 HB3 PRO 5 HB3 PRO 5 16.215 -21.234 0.962 29 HG2 PRO 5 HG2 PRO 5 18.872 -20.001 1.691 30 HG3 PRO 5 HG3 PRO 5 18.554 -21.544 0.845 31 HD2 PRO 5 HD2 PRO 5 19.196 -19.238 -0.467 32 HD3 PRO 5 HD3 PRO 5 18.100 -20.456 -1.174 33 H GLY 6 H GLY 6 14.610 -17.205 1.206 34 HA2 GLY 6 HA2 GLY 6 14.748 -16.164 3.653 35 HA3 GLY 6 HA3 GLY 6 16.259 -15.526 2.975 36 H ASP 7 H ASP 7 12.774 -15.893 2.031 37 HA ASP 7 HA ASP 7 12.833 -13.114 0.989 38 HB2 ASP 7 HB2 ASP 7 11.890 -13.578 -0.980 39 HB3 ASP 7 HB3 ASP 7 12.889 -15.020 -0.799 40 H SER 8 H SER 8 11.778 -14.601 3.505 41 HA SER 8 HA SER 8 8.997 -14.495 3.591 42 HB2 SER 8 HB2 SER 8 10.261 -15.365 5.425 43 HB3 SER 8 HB3 SER 8 10.943 -13.769 5.811 44 HG SER 8 HG SER 8 8.936 -14.664 6.986 45 H ARG 9 H ARG 9 11.222 -11.657 3.827 46 HA ARG 9 HA ARG 9 9.177 -9.786 4.475 47 HB2 ARG 9 HB2 ARG 9 11.614 -9.244 2.699 48 HB3 ARG 9 HB3 ARG 9 10.624 -8.029 3.503 49 HG2 ARG 9 HG2 ARG 9 12.359 -10.118 4.877 50 HG3 ARG 9 HG3 ARG 9 12.781 -8.420 4.657 51 HD2 ARG 9 HD2 ARG 9 10.318 -9.302 6.192 52 HD3 ARG 9 HD3 ARG 9 11.907 -9.151 6.950 53 HE ARG 9 HE ARG 9 10.857 -6.813 5.486 54 HH11 ARG 9 HH11 ARG 9 10.877 -8.395 8.686 55 HH12 ARG 9 HH12 ARG 9 10.001 -7.092 9.412 56 HH21 ARG 9 HH21 ARG 9 9.826 -5.248 6.436 57 HH22 ARG 9 HH22 ARG 9 9.452 -5.151 8.112 58 H ARG 10 H ARG 10 10.336 -10.865 1.272 59 HA ARG 10 HA ARG 10 8.571 -9.302 -0.308 60 HB2 ARG 10 HB2 ARG 10 9.728 -12.086 -0.818 61 HB3 ARG 10 HB3 ARG 10 8.858 -11.154 -2.006 62 HG2 ARG 10 HG2 ARG 10 11.400 -10.092 -0.686 63 HG3 ARG 10 HG3 ARG 10 11.405 -11.078 -2.163 64 HD2 ARG 10 HD2 ARG 10 9.928 -9.499 -3.290 65 HD3 ARG 10 HD3 ARG 10 9.824 -8.500 -1.829 66 HE ARG 10 HE ARG 10 12.564 -8.766 -2.636 67 HH11 ARG 10 HH11 ARG 10 9.510 -7.232 -3.621 68 HH12 ARG 10 HH12 ARG 10 10.288 -5.985 -4.535 69 HH21 ARG 10 HH21 ARG 10 13.551 -7.053 -3.657 70 HH22 ARG 10 HH22 ARG 10 12.681 -5.772 -4.443 71 H LEU 11 H LEU 11 8.105 -12.523 1.191 72 HA LEU 11 HA LEU 11 5.533 -12.972 0.015 73 HB2 LEU 11 HB2 LEU 11 6.681 -13.999 2.638 74 HB3 LEU 11 HB3 LEU 11 5.173 -14.549 1.921 75 HG LEU 11 HG LEU 11 7.907 -14.788 0.582 76 HD11 LEU 11 HD11 LEU 11 7.692 -17.185 1.108 77 HD12 LEU 11 HD12 LEU 11 6.202 -16.858 2.027 78 HD13 LEU 11 HD13 LEU 11 7.756 -16.180 2.568 79 HD21 LEU 11 HD21 LEU 11 5.186 -15.940 -0.200 80 HD22 LEU 11 HD22 LEU 11 6.744 -16.378 -0.939 81 HD23 LEU 11 HD23 LEU 11 6.138 -14.737 -1.113 82 H SER 12 H SER 12 6.384 -11.570 3.253 83 HA SER 12 HA SER 12 3.766 -11.012 4.051 84 HB2 SER 12 HB2 SER 12 6.270 -9.398 4.639 85 HB3 SER 12 HB3 SER 12 4.780 -9.423 5.604 86 HG SER 12 HG SER 12 6.452 -10.754 6.386 87 H ILE 13 H ILE 13 6.028 -8.846 2.272 88 HA ILE 13 HA ILE 13 4.381 -6.599 2.058 89 HB ILE 13 HB ILE 13 6.424 -7.735 0.099 90 HG12 ILE 13 HG12 ILE 13 6.821 -5.346 1.912 91 HG13 ILE 13 HG13 ILE 13 7.094 -6.968 2.528 92 HG21 ILE 13 HG21 ILE 13 6.557 -5.240 -0.661 93 HG22 ILE 13 HG22 ILE 13 5.232 -6.232 -1.210 94 HG23 ILE 13 HG23 ILE 13 4.984 -5.054 0.125 95 HD11 ILE 13 HD11 ILE 13 8.481 -5.876 0.057 96 HD12 ILE 13 HD12 ILE 13 9.170 -5.931 1.709 97 HD13 ILE 13 HD13 ILE 13 8.767 -7.425 0.858 98 H GLN 14 H GLN 14 4.504 -9.480 -0.071 99 HA GLN 14 HA GLN 14 2.544 -8.586 -1.932 100 HB2 GLN 14 HB2 GLN 14 3.427 -11.377 -1.113 101 HB3 GLN 14 HB3 GLN 14 2.272 -11.067 -2.407 102 HG2 GLN 14 HG2 GLN 14 3.853 -9.822 -3.677 103 HG3 GLN 14 HG3 GLN 14 5.021 -9.745 -2.373 104 HE21 GLN 14 HE21 GLN 14 6.161 -11.635 -1.812 105 HE22 GLN 14 HE22 GLN 14 6.446 -12.945 -2.940 106 H ARG 15 H ARG 15 2.164 -10.419 1.131 107 HA ARG 15 HA ARG 15 -0.638 -10.928 0.810 108 HB2 ARG 15 HB2 ARG 15 0.989 -10.532 3.359 109 HB3 ARG 15 HB3 ARG 15 -0.624 -11.224 3.311 110 HG2 ARG 15 HG2 ARG 15 1.794 -12.425 1.904 111 HG3 ARG 15 HG3 ARG 15 1.326 -12.863 3.529 112 HD2 ARG 15 HD2 ARG 15 -0.708 -12.986 1.344 113 HD3 ARG 15 HD3 ARG 15 0.561 -14.232 1.390 114 HE ARG 15 HE ARG 15 -0.267 -14.334 3.917 115 HH11 ARG 15 HH11 ARG 15 -2.085 -14.423 0.855 116 HH12 ARG 15 HH12 ARG 15 -3.449 -15.258 1.557 117 HH21 ARG 15 HH21 ARG 15 -1.822 -15.750 4.674 118 HH22 ARG 15 HH22 ARG 15 -3.208 -16.230 3.733 119 H ALA 16 H ALA 16 1.104 -8.255 2.465 120 HA ALA 16 HA ALA 16 -1.182 -6.807 3.223 121 HB1 ALA 16 HB1 ALA 16 1.531 -5.654 2.427 122 HB2 ALA 16 HB2 ALA 16 0.302 -4.904 3.478 123 HB3 ALA 16 HB3 ALA 16 1.147 -6.368 4.006 124 H ILE 17 H ILE 17 0.815 -6.412 0.243 125 HA ILE 17 HA ILE 17 -0.695 -4.380 -0.972 126 HB ILE 17 HB ILE 17 0.855 -6.671 -2.251 127 HG12 ILE 17 HG12 ILE 17 1.756 -3.770 -2.118 128 HG13 ILE 17 HG13 ILE 17 2.036 -4.844 -0.758 129 HG21 ILE 17 HG21 ILE 17 -0.641 -5.745 -3.970 130 HG22 ILE 17 HG22 ILE 17 -0.168 -4.095 -3.521 131 HG23 ILE 17 HG23 ILE 17 1.000 -5.179 -4.295 132 HD11 ILE 17 HD11 ILE 17 3.964 -4.770 -2.293 133 HD12 ILE 17 HD12 ILE 17 3.280 -6.414 -2.154 134 HD13 ILE 17 HD13 ILE 17 2.976 -5.459 -3.586 135 H GLN 18 H GLN 18 -1.127 -7.955 -1.305 136 HA GLN 18 HA GLN 18 -3.254 -7.837 -3.161 137 HB2 GLN 18 HB2 GLN 18 -2.376 -9.930 -1.135 138 HB3 GLN 18 HB3 GLN 18 -3.757 -10.176 -2.212 139 HG2 GLN 18 HG2 GLN 18 -2.396 -9.918 -4.186 140 HG3 GLN 18 HG3 GLN 18 -0.975 -9.485 -3.239 141 HE21 GLN 18 HE21 GLN 18 0.279 -11.268 -4.048 142 HE22 GLN 18 HE22 GLN 18 -0.198 -12.923 -3.807 143 H SER 19 H SER 19 -3.376 -7.705 0.445 144 HA SER 19 HA SER 19 -6.298 -7.856 0.361 145 HB2 SER 19 HB2 SER 19 -4.693 -8.659 2.232 146 HB3 SER 19 HB3 SER 19 -4.665 -6.963 2.745 147 HG SER 19 HG SER 19 -7.046 -8.515 2.307 148 H LEU 20 H LEU 20 -3.826 -5.286 0.514 149 HA LEU 20 HA LEU 20 -5.466 -3.121 1.161 150 HB2 LEU 20 HB2 LEU 20 -2.906 -3.258 0.997 151 HB3 LEU 20 HB3 LEU 20 -3.081 -3.169 -0.734 152 HG LEU 20 HG LEU 20 -4.509 -0.936 -0.013 153 HD11 LEU 20 HD11 LEU 20 -2.529 -1.340 2.193 154 HD12 LEU 20 HD12 LEU 20 -4.288 -1.112 2.299 155 HD13 LEU 20 HD13 LEU 20 -3.266 0.221 1.764 156 HD21 LEU 20 HD21 LEU 20 -1.478 -1.188 -0.317 157 HD22 LEU 20 HD22 LEU 20 -2.425 0.287 -0.606 158 HD23 LEU 20 HD23 LEU 20 -2.653 -1.102 -1.647 159 H VAL 21 H VAL 21 -4.479 -4.208 -2.178 160 HA VAL 21 HA VAL 21 -6.097 -2.342 -3.571 161 HB VAL 21 HB VAL 21 -4.270 -3.403 -4.709 162 HG11 VAL 21 HG11 VAL 21 -3.828 -5.645 -4.957 163 HG12 VAL 21 HG12 VAL 21 -4.614 -5.725 -3.388 164 HG13 VAL 21 HG13 VAL 21 -5.532 -6.136 -4.816 165 HG21 VAL 21 HG21 VAL 21 -5.403 -4.339 -6.725 166 HG22 VAL 21 HG22 VAL 21 -6.885 -4.528 -5.848 167 HG23 VAL 21 HG23 VAL 21 -6.252 -2.899 -6.140 168 H HIS 22 H HIS 22 -6.659 -5.774 -2.618 169 HA HIS 22 HA HIS 22 -9.125 -6.087 -3.895 170 HB2 HIS 22 HB2 HIS 22 -7.970 -7.971 -2.973 171 HB3 HIS 22 HB3 HIS 22 -7.997 -7.277 -1.339 172 HD1 HIS 22 HD1 HIS 22 -10.718 -8.242 -3.959 173 HD2 HIS 22 HD2 HIS 22 -9.960 -7.964 0.187 174 HE1 HIS 22 HE1 HIS 22 -12.876 -8.870 -2.784 175 H ALA 23 H ALA 23 -8.532 -5.008 -0.481 176 HA ALA 23 HA ALA 23 -11.197 -4.511 0.157 177 HB1 ALA 23 HB1 ALA 23 -9.411 -4.649 1.769 178 HB2 ALA 23 HB2 ALA 23 -8.628 -3.198 1.089 179 HB3 ALA 23 HB3 ALA 23 -10.182 -3.057 1.927 180 H ALA 24 H ALA 24 -8.969 -2.471 -1.698 181 HA ALA 24 HA ALA 24 -10.408 -0.017 -1.399 182 HB1 ALA 24 HB1 ALA 24 -8.953 0.754 -3.229 183 HB2 ALA 24 HB2 ALA 24 -8.002 -0.195 -2.050 184 HB3 ALA 24 HB3 ALA 24 -8.498 -0.928 -3.575 185 H GLN 25 H GLN 25 -10.964 -2.823 -3.382 186 HA GLN 25 HA GLN 25 -13.001 -1.319 -4.956 187 HB2 GLN 25 HB2 GLN 25 -12.597 -2.864 -6.802 188 HB3 GLN 25 HB3 GLN 25 -11.153 -1.938 -6.396 189 HG2 GLN 25 HG2 GLN 25 -10.204 -3.860 -5.214 190 HG3 GLN 25 HG3 GLN 25 -11.662 -4.787 -5.444 191 HE21 GLN 25 HE21 GLN 25 -8.574 -4.100 -6.698 192 HE22 GLN 25 HE22 GLN 25 -8.776 -4.708 -8.325 193 H CYS 26 H CYS 26 -12.556 -3.646 -2.589 194 HA CYS 26 HA CYS 26 -14.528 -5.568 -3.226 195 HB2 CYS 26 HB2 CYS 26 -12.677 -5.922 -1.671 196 HB3 CYS 26 HB3 CYS 26 -13.416 -4.778 -0.545 197 H ARG 27 H ARG 27 -16.116 -4.287 -3.998 198 HA ARG 27 HA ARG 27 -18.028 -2.868 -2.227 199 HB2 ARG 27 HB2 ARG 27 -19.167 -2.362 -4.342 200 HB3 ARG 27 HB3 ARG 27 -17.468 -1.976 -4.507 201 HG2 ARG 27 HG2 ARG 27 -17.045 -4.007 -5.794 202 HG3 ARG 27 HG3 ARG 27 -18.665 -4.627 -5.506 203 HD2 ARG 27 HD2 ARG 27 -18.129 -2.068 -7.037 204 HD3 ARG 27 HD3 ARG 27 -18.219 -3.675 -7.772 205 HE ARG 27 HE ARG 27 -20.554 -3.123 -6.154 206 HH11 ARG 27 HH11 ARG 27 -19.152 -2.772 -9.392 207 HH12 ARG 27 HH12 ARG 27 -20.557 -2.070 -10.111 208 HH21 ARG 27 HH21 ARG 27 -22.580 -2.597 -7.211 209 HH22 ARG 27 HH22 ARG 27 -22.526 -1.943 -8.818 210 H ASN 28 H ASN 28 -17.256 -5.970 -2.943 211 HA ASN 28 HA ASN 28 -19.744 -7.190 -3.683 212 HB2 ASN 28 HB2 ASN 28 -17.083 -8.303 -2.732 213 HB3 ASN 28 HB3 ASN 28 -18.455 -9.305 -3.218 214 HD21 ASN 28 HD21 ASN 28 -15.672 -8.923 -4.573 215 HD22 ASN 28 HD22 ASN 28 -16.138 -8.571 -6.197 216 H ALA 29 H ALA 29 -20.676 -8.894 -2.398 217 HA ALA 29 HA ALA 29 -21.166 -8.007 0.401 218 HB1 ALA 29 HB1 ALA 29 -23.266 -9.252 0.154 219 HB2 ALA 29 HB2 ALA 29 -23.102 -8.033 -1.106 220 HB3 ALA 29 HB3 ALA 29 -22.816 -9.751 -1.488 221 H ASN 30 H ASN 30 -20.417 -10.759 -1.656 222 HA ASN 30 HA ASN 30 -20.432 -12.902 0.102 223 HB2 ASN 30 HB2 ASN 30 -20.429 -13.217 -2.266 224 HB3 ASN 30 HB3 ASN 30 -18.908 -12.344 -2.449 225 HD21 ASN 30 HD21 ASN 30 -20.338 -15.489 -1.535 226 HD22 ASN 30 HD22 ASN 30 -18.816 -16.318 -1.576 227 H CYS 31 H CYS 31 -17.520 -11.036 -0.846 228 HA CYS 31 HA CYS 31 -15.641 -12.576 0.479 229 HB2 CYS 31 HB2 CYS 31 -15.287 -10.668 -1.184 230 HB3 CYS 31 HB3 CYS 31 -15.509 -9.555 0.155 231 H SER 32 H SER 32 -14.842 -12.744 2.518 232 HA SER 32 HA SER 32 -15.441 -10.793 4.606 233 HB2 SER 32 HB2 SER 32 -17.505 -12.211 4.472 234 HB3 SER 32 HB3 SER 32 -16.527 -13.630 4.882 235 HG SER 32 HG SER 32 -17.670 -11.887 6.479 236 H LEU 33 H LEU 33 -13.343 -10.510 5.094 237 HA LEU 33 HA LEU 33 -11.750 -12.734 6.129 238 HB2 LEU 33 HB2 LEU 33 -11.083 -11.214 3.632 239 HB3 LEU 33 HB3 LEU 33 -9.856 -11.104 4.876 240 HG LEU 33 HG LEU 33 -10.066 -13.727 4.999 241 HD11 LEU 33 HD11 LEU 33 -10.890 -13.207 2.104 242 HD12 LEU 33 HD12 LEU 33 -11.982 -13.805 3.352 243 HD13 LEU 33 HD13 LEU 33 -10.584 -14.781 2.869 244 HD21 LEU 33 HD21 LEU 33 -8.033 -12.519 4.339 245 HD22 LEU 33 HD22 LEU 33 -8.674 -12.304 2.695 246 HD23 LEU 33 HD23 LEU 33 -8.293 -13.934 3.308 247 HA PRO 34 HA PRO 34 -11.252 -9.516 9.147 248 HB2 PRO 34 HB2 PRO 34 -8.812 -10.116 10.290 249 HB3 PRO 34 HB3 PRO 34 -10.336 -10.990 10.612 250 HG2 PRO 34 HG2 PRO 34 -8.128 -11.721 8.677 251 HG3 PRO 34 HG3 PRO 34 -8.971 -12.784 9.849 252 HD2 PRO 34 HD2 PRO 34 -9.688 -12.726 7.230 253 HD3 PRO 34 HD3 PRO 34 -10.932 -12.842 8.509 254 H SER 35 H SER 35 -8.375 -10.076 6.998 255 HA SER 35 HA SER 35 -7.323 -7.440 7.361 256 HB2 SER 35 HB2 SER 35 -5.973 -8.040 5.343 257 HB3 SER 35 HB3 SER 35 -5.878 -9.188 6.678 258 HG SER 35 HG SER 35 -6.906 -9.470 4.159 259 H CYS 36 H CYS 36 -9.435 -8.916 4.889 260 HA CYS 36 HA CYS 36 -9.739 -6.773 3.137 261 HB2 CYS 36 HB2 CYS 36 -10.588 -9.054 2.739 262 HB3 CYS 36 HB3 CYS 36 -11.787 -8.856 4.035 263 H GLN 37 H GLN 37 -11.828 -7.542 5.963 264 HA GLN 37 HA GLN 37 -13.379 -5.204 5.737 265 HB2 GLN 37 HB2 GLN 37 -14.319 -5.695 7.869 266 HB3 GLN 37 HB3 GLN 37 -14.135 -7.164 6.921 267 HG2 GLN 37 HG2 GLN 37 -12.157 -7.777 8.212 268 HG3 GLN 37 HG3 GLN 37 -12.252 -6.285 9.164 269 HE21 GLN 37 HE21 GLN 37 -13.055 -6.649 11.128 270 HE22 GLN 37 HE22 GLN 37 -14.463 -7.667 11.451 271 H LYS 38 H LYS 38 -10.365 -5.665 7.798 272 HA LYS 38 HA LYS 38 -10.764 -3.069 8.967 273 HB2 LYS 38 HB2 LYS 38 -8.791 -3.402 10.089 274 HB3 LYS 38 HB3 LYS 38 -9.486 -4.998 9.911 275 HG2 LYS 38 HG2 LYS 38 -7.830 -5.169 7.813 276 HG3 LYS 38 HG3 LYS 38 -6.995 -3.841 8.606 277 HD2 LYS 38 HD2 LYS 38 -7.279 -5.380 10.752 278 HD3 LYS 38 HD3 LYS 38 -7.570 -6.651 9.560 279 HE2 LYS 38 HE2 LYS 38 -5.392 -6.317 8.560 280 HE3 LYS 38 HE3 LYS 38 -5.057 -4.932 9.603 281 HZ1 LYS 38 HZ1 LYS 38 -5.590 -7.643 10.649 282 HZ2 LYS 38 HZ2 LYS 38 -4.994 -6.387 11.486 283 HZ3 LYS 38 HZ3 LYS 38 -4.083 -7.126 10.314 284 H MET 39 H MET 39 -9.033 -4.222 6.068 285 HA MET 39 HA MET 39 -7.693 -1.828 5.477 286 HB2 MET 39 HB2 MET 39 -8.593 -4.173 3.787 287 HB3 MET 39 HB3 MET 39 -7.741 -2.771 3.105 288 HG2 MET 39 HG2 MET 39 -6.634 -4.578 5.276 289 HG3 MET 39 HG3 MET 39 -6.240 -4.629 3.562 290 HE1 MET 39 HE1 MET 39 -3.701 -4.561 4.318 291 HE2 MET 39 HE2 MET 39 -4.098 -3.739 2.790 292 HE3 MET 39 HE3 MET 39 -2.959 -2.989 3.912 293 H LYS 40 H LYS 40 -11.105 -2.733 5.073 294 HA LYS 40 HA LYS 40 -11.775 -0.883 3.077 295 HB2 LYS 40 HB2 LYS 40 -13.547 -1.423 5.491 296 HB3 LYS 40 HB3 LYS 40 -14.047 -0.760 3.945 297 HG2 LYS 40 HG2 LYS 40 -13.182 -3.573 4.542 298 HG3 LYS 40 HG3 LYS 40 -14.794 -3.031 4.088 299 HD2 LYS 40 HD2 LYS 40 -13.930 -2.497 1.795 300 HD3 LYS 40 HD3 LYS 40 -12.321 -2.985 2.349 301 HE2 LYS 40 HE2 LYS 40 -12.918 -4.907 1.328 302 HE3 LYS 40 HE3 LYS 40 -13.379 -5.263 2.975 303 HZ1 LYS 40 HZ1 LYS 40 -15.330 -4.268 0.961 304 HZ2 LYS 40 HZ2 LYS 40 -15.629 -5.048 2.417 305 HZ3 LYS 40 HZ3 LYS 40 -14.970 -5.819 1.145 306 H ARG 41 H ARG 41 -10.962 -0.299 6.486 307 HA ARG 41 HA ARG 41 -12.045 2.356 6.662 308 HB2 ARG 41 HB2 ARG 41 -9.642 1.105 8.098 309 HB3 ARG 41 HB3 ARG 41 -10.362 2.655 8.501 310 HG2 ARG 41 HG2 ARG 41 -11.732 -0.049 8.749 311 HG3 ARG 41 HG3 ARG 41 -11.112 0.967 10.059 312 HD2 ARG 41 HD2 ARG 41 -12.693 2.805 9.246 313 HD3 ARG 41 HD3 ARG 41 -13.445 1.600 8.197 314 HE ARG 41 HE ARG 41 -13.725 1.977 11.026 315 HH11 ARG 41 HH11 ARG 41 -13.948 -0.500 8.499 316 HH12 ARG 41 HH12 ARG 41 -15.048 -1.522 9.379 317 HH21 ARG 41 HH21 ARG 41 -15.129 0.601 12.208 318 HH22 ARG 41 HH22 ARG 41 -15.802 -0.846 11.508 319 H VAL 42 H VAL 42 -8.853 1.146 5.545 320 HA VAL 42 HA VAL 42 -7.644 3.646 5.242 321 HB VAL 42 HB VAL 42 -7.190 1.222 3.458 322 HG11 VAL 42 HG11 VAL 42 -6.015 3.274 2.743 323 HG12 VAL 42 HG12 VAL 42 -5.314 3.440 4.364 324 HG13 VAL 42 HG13 VAL 42 -4.890 2.045 3.338 325 HG21 VAL 42 HG21 VAL 42 -7.090 0.468 5.823 326 HG22 VAL 42 HG22 VAL 42 -5.504 0.477 5.081 327 HG23 VAL 42 HG23 VAL 42 -5.965 1.789 6.191 328 H VAL 43 H VAL 43 -9.518 1.767 2.715 329 HA VAL 43 HA VAL 43 -9.279 3.934 0.870 330 HB VAL 43 HB VAL 43 -9.622 1.722 0.082 331 HG11 VAL 43 HG11 VAL 43 -11.803 0.525 0.274 332 HG12 VAL 43 HG12 VAL 43 -10.943 0.688 1.806 333 HG13 VAL 43 HG13 VAL 43 -12.339 1.732 1.451 334 HG21 VAL 43 HG21 VAL 43 -10.472 3.607 -1.295 335 HG22 VAL 43 HG22 VAL 43 -11.321 2.085 -1.604 336 HG23 VAL 43 HG23 VAL 43 -12.092 3.334 -0.615 337 H GLN 44 H GLN 44 -11.680 3.238 3.416 338 HA GLN 44 HA GLN 44 -13.584 5.193 2.583 339 HB2 GLN 44 HB2 GLN 44 -14.271 3.475 4.100 340 HB3 GLN 44 HB3 GLN 44 -12.920 3.771 5.187 341 HG2 GLN 44 HG2 GLN 44 -13.896 5.814 6.016 342 HG3 GLN 44 HG3 GLN 44 -15.222 5.704 4.854 343 HE21 GLN 44 HE21 GLN 44 -17.060 4.517 5.465 344 HE22 GLN 44 HE22 GLN 44 -17.117 3.543 6.928 345 H HIS 45 H HIS 45 -10.647 5.366 4.499 346 HA HIS 45 HA HIS 45 -10.908 8.068 5.390 347 HB2 HIS 45 HB2 HIS 45 -9.641 6.428 6.620 348 HB3 HIS 45 HB3 HIS 45 -8.637 6.048 5.242 349 HD1 HIS 45 HD1 HIS 45 -9.071 8.746 7.903 350 HD2 HIS 45 HD2 HIS 45 -6.482 7.490 4.813 351 HE1 HIS 45 HE1 HIS 45 -6.932 10.097 8.148 352 H THR 46 H THR 46 -8.867 6.490 2.776 353 HA THR 46 HA THR 46 -7.731 8.774 1.783 354 HB THR 46 HB THR 46 -7.241 7.555 -0.253 355 HG1 THR 46 HG1 THR 46 -8.296 5.535 -0.624 356 HG21 THR 46 HG21 THR 46 -5.802 6.463 0.967 357 HG22 THR 46 HG22 THR 46 -6.994 5.146 1.152 358 HG23 THR 46 HG23 THR 46 -6.840 6.405 2.369 359 H LYS 47 H LYS 47 -10.958 7.545 1.025 360 HA LYS 47 HA LYS 47 -11.685 9.292 -1.103 361 HB2 LYS 47 HB2 LYS 47 -13.242 7.879 1.095 362 HB3 LYS 47 HB3 LYS 47 -14.066 8.907 -0.072 363 HG2 LYS 47 HG2 LYS 47 -13.359 7.567 -1.927 364 HG3 LYS 47 HG3 LYS 47 -12.245 6.625 -0.931 365 HD2 LYS 47 HD2 LYS 47 -14.136 5.679 0.338 366 HD3 LYS 47 HD3 LYS 47 -15.281 6.640 -0.630 367 HE2 LYS 47 HE2 LYS 47 -14.309 5.522 -2.705 368 HE3 LYS 47 HE3 LYS 47 -13.352 4.497 -1.632 369 HZ1 LYS 47 HZ1 LYS 47 -16.257 4.505 -2.026 370 HZ2 LYS 47 HZ2 LYS 47 -15.603 3.796 -0.688 371 HZ3 LYS 47 HZ3 LYS 47 -15.184 3.276 -2.198 372 H GLY 48 H GLY 48 -11.453 9.903 2.358 373 HA2 GLY 48 HA2 GLY 48 -12.743 12.567 2.119 374 HA3 GLY 48 HA3 GLY 48 -12.270 11.702 3.585 375 H CYS 49 H CYS 49 -9.466 11.253 2.336 376 HA CYS 49 HA CYS 49 -8.191 13.388 3.616 377 HB2 CYS 49 HB2 CYS 49 -7.144 11.320 1.661 378 HB3 CYS 49 HB3 CYS 49 -6.121 12.371 2.641 379 H LYS 50 H LYS 50 -9.478 15.118 2.244 380 HA LYS 50 HA LYS 50 -7.964 15.949 -0.145 381 HB2 LYS 50 HB2 LYS 50 -10.074 17.445 1.484 382 HB3 LYS 50 HB3 LYS 50 -9.412 17.986 -0.056 383 HG2 LYS 50 HG2 LYS 50 -11.063 15.456 0.386 384 HG3 LYS 50 HG3 LYS 50 -11.602 16.960 -0.370 385 HD2 LYS 50 HD2 LYS 50 -9.869 16.644 -2.170 386 HD3 LYS 50 HD3 LYS 50 -9.425 15.103 -1.432 387 HE2 LYS 50 HE2 LYS 50 -10.838 14.653 -3.275 388 HE3 LYS 50 HE3 LYS 50 -11.697 14.221 -1.799 389 HZ1 LYS 50 HZ1 LYS 50 -12.908 15.439 -3.563 390 HZ2 LYS 50 HZ2 LYS 50 -12.104 16.817 -3.150 391 HZ3 LYS 50 HZ3 LYS 50 -13.117 16.053 -2.069 392 H ARG 51 H ARG 51 -7.714 16.536 3.254 393 HA ARG 51 HA ARG 51 -6.207 18.857 3.369 394 HB2 ARG 51 HB2 ARG 51 -5.260 17.832 5.508 395 HB3 ARG 51 HB3 ARG 51 -7.005 18.004 5.393 396 HG2 ARG 51 HG2 ARG 51 -7.361 15.669 5.053 397 HG3 ARG 51 HG3 ARG 51 -5.656 15.369 4.719 398 HD2 ARG 51 HD2 ARG 51 -6.277 14.578 6.958 399 HD3 ARG 51 HD3 ARG 51 -5.064 15.849 7.040 400 HE ARG 51 HE ARG 51 -6.485 17.194 8.151 401 HH11 ARG 51 HH11 ARG 51 -8.507 14.432 6.994 402 HH12 ARG 51 HH12 ARG 51 -9.734 14.751 8.171 403 HH21 ARG 51 HH21 ARG 51 -8.151 17.591 9.576 404 HH22 ARG 51 HH22 ARG 51 -9.604 16.673 9.539 405 H LYS 52 H LYS 52 -5.163 15.863 2.065 406 HA LYS 52 HA LYS 52 -2.398 15.914 2.511 407 HB2 LYS 52 HB2 LYS 52 -2.258 14.309 0.739 408 HB3 LYS 52 HB3 LYS 52 -3.738 14.023 1.659 409 HG2 LYS 52 HG2 LYS 52 -4.995 15.364 -0.090 410 HG3 LYS 52 HG3 LYS 52 -3.505 15.409 -1.044 411 HD2 LYS 52 HD2 LYS 52 -3.508 12.946 -1.183 412 HD3 LYS 52 HD3 LYS 52 -4.931 12.875 -0.117 413 HE2 LYS 52 HE2 LYS 52 -5.510 12.570 -2.507 414 HE3 LYS 52 HE3 LYS 52 -6.348 13.908 -1.733 415 HZ1 LYS 52 HZ1 LYS 52 -3.902 14.323 -3.360 416 HZ2 LYS 52 HZ2 LYS 52 -5.014 15.461 -2.862 417 HZ3 LYS 52 HZ3 LYS 52 -5.389 14.309 -4.002 418 H THR 53 H THR 53 -4.110 18.222 0.512 419 HA THR 53 HA THR 53 -2.065 18.744 -1.371 420 HB THR 53 HB THR 53 -3.772 20.907 -0.100 421 HG1 THR 53 HG1 THR 53 -5.533 20.189 -0.865 422 HG21 THR 53 HG21 THR 53 -2.986 20.312 -2.988 423 HG22 THR 53 HG22 THR 53 -2.343 21.608 -1.957 424 HG23 THR 53 HG23 THR 53 -4.035 21.642 -2.472 425 H ASN 54 H ASN 54 -2.468 19.653 2.039 426 HA ASN 54 HA ASN 54 0.103 21.190 1.971 427 HB2 ASN 54 HB2 ASN 54 -2.478 21.700 3.478 428 HB3 ASN 54 HB3 ASN 54 -0.930 22.381 3.973 429 HD21 ASN 54 HD21 ASN 54 -0.405 24.339 3.115 430 HD22 ASN 54 HD22 ASN 54 -1.143 25.057 1.698 431 H GLY 55 H GLY 55 -2.089 19.326 4.204 432 HA2 GLY 55 HA2 GLY 55 0.266 17.895 5.253 433 HA3 GLY 55 HA3 GLY 55 -0.642 18.948 6.354 434 H GLY 56 H GLY 56 -0.823 16.079 4.283 435 HA2 GLY 56 HA2 GLY 56 -3.489 15.319 5.268 436 HA3 GLY 56 HA3 GLY 56 -2.502 14.479 4.048 437 H CYS 57 H CYS 57 -3.708 13.042 6.004 438 HA CYS 57 HA CYS 57 -2.267 12.569 8.377 439 HB2 CYS 57 HB2 CYS 57 -3.663 10.314 6.987 440 HB3 CYS 57 HB3 CYS 57 -3.814 10.863 8.643 441 HA PRO 58 HA PRO 58 1.220 10.247 6.766 442 HB2 PRO 58 HB2 PRO 58 1.535 8.138 8.512 443 HB3 PRO 58 HB3 PRO 58 1.991 9.820 8.888 444 HG2 PRO 58 HG2 PRO 58 -0.539 8.345 9.667 445 HG3 PRO 58 HG3 PRO 58 0.490 9.401 10.685 446 HD2 PRO 58 HD2 PRO 58 -1.803 10.305 9.516 447 HD3 PRO 58 HD3 PRO 58 -0.371 11.363 9.685 448 H ILE 59 H ILE 59 -1.768 8.500 7.494 449 HA ILE 59 HA ILE 59 -1.487 6.141 6.123 450 HB ILE 59 HB ILE 59 -4.058 7.655 6.076 451 HG12 ILE 59 HG12 ILE 59 -2.759 6.193 8.405 452 HG13 ILE 59 HG13 ILE 59 -3.254 7.883 8.358 453 HG21 ILE 59 HG21 ILE 59 -3.742 4.676 6.574 454 HG22 ILE 59 HG22 ILE 59 -5.103 5.578 5.840 455 HG23 ILE 59 HG23 ILE 59 -3.639 5.270 4.930 456 HD11 ILE 59 HD11 ILE 59 -4.805 6.634 9.705 457 HD12 ILE 59 HD12 ILE 59 -5.622 7.205 8.243 458 HD13 ILE 59 HD13 ILE 59 -5.144 5.507 8.382 459 H CYS 60 H CYS 60 -2.334 9.396 4.811 460 HA CYS 60 HA CYS 60 -2.968 8.685 2.177 461 HB2 CYS 60 HB2 CYS 60 -1.602 11.238 3.126 462 HB3 CYS 60 HB3 CYS 60 -2.683 11.058 1.753 463 H LYS 61 H LYS 61 0.154 9.535 3.627 464 HA LYS 61 HA LYS 61 1.665 9.407 1.153 465 HB2 LYS 61 HB2 LYS 61 2.624 9.188 4.048 466 HB3 LYS 61 HB3 LYS 61 3.637 9.415 2.621 467 HG2 LYS 61 HG2 LYS 61 2.424 11.594 2.185 468 HG3 LYS 61 HG3 LYS 61 1.545 11.360 3.704 469 HD2 LYS 61 HD2 LYS 61 3.398 12.865 4.076 470 HD3 LYS 61 HD3 LYS 61 3.709 11.358 4.950 471 HE2 LYS 61 HE2 LYS 61 5.299 10.615 3.339 472 HE3 LYS 61 HE3 LYS 61 4.775 11.817 2.140 473 HZ1 LYS 61 HZ1 LYS 61 6.147 12.500 4.660 474 HZ2 LYS 61 HZ2 LYS 61 5.734 13.540 3.454 475 HZ3 LYS 61 HZ3 LYS 61 6.872 12.396 3.177 476 H GLN 62 H GLN 62 1.297 7.129 3.945 477 HA GLN 62 HA GLN 62 2.972 5.156 2.750 478 HB2 GLN 62 HB2 GLN 62 2.080 3.587 4.339 479 HB3 GLN 62 HB3 GLN 62 2.442 5.113 5.162 480 HG2 GLN 62 HG2 GLN 62 0.211 5.731 5.203 481 HG3 GLN 62 HG3 GLN 62 -0.349 4.378 4.225 482 HE21 GLN 62 HE21 GLN 62 0.359 2.096 5.173 483 HE22 GLN 62 HE22 GLN 62 0.084 1.936 6.889 484 H LEU 63 H LEU 63 -0.588 5.841 2.160 485 HA LEU 63 HA LEU 63 -1.086 3.289 1.173 486 HB2 LEU 63 HB2 LEU 63 -2.858 5.017 1.541 487 HB3 LEU 63 HB3 LEU 63 -2.252 5.911 0.140 488 HG LEU 63 HG LEU 63 -2.716 3.908 -1.299 489 HD11 LEU 63 HD11 LEU 63 -2.600 2.126 0.461 490 HD12 LEU 63 HD12 LEU 63 -4.151 2.082 -0.373 491 HD13 LEU 63 HD13 LEU 63 -4.028 2.810 1.244 492 HD21 LEU 63 HD21 LEU 63 -4.540 5.752 -0.696 493 HD22 LEU 63 HD22 LEU 63 -5.316 4.380 0.101 494 HD23 LEU 63 HD23 LEU 63 -4.933 4.286 -1.617 495 H ILE 64 H ILE 64 0.332 6.112 -0.454 496 HA ILE 64 HA ILE 64 0.613 4.876 -2.984 497 HB ILE 64 HB ILE 64 1.868 7.279 -1.632 498 HG12 ILE 64 HG12 ILE 64 -0.083 7.020 -3.988 499 HG13 ILE 64 HG13 ILE 64 -0.577 7.065 -2.287 500 HG21 ILE 64 HG21 ILE 64 2.387 6.325 -4.468 501 HG22 ILE 64 HG22 ILE 64 2.671 7.995 -3.913 502 HG23 ILE 64 HG23 ILE 64 3.581 6.657 -3.206 503 HD11 ILE 64 HD11 ILE 64 0.546 9.262 -2.018 504 HD12 ILE 64 HD12 ILE 64 0.632 9.308 -3.807 505 HD13 ILE 64 HD13 ILE 64 -0.937 9.164 -2.971 506 H ALA 65 H ALA 65 2.676 4.787 -0.084 507 HA ALA 65 HA ALA 65 5.042 3.825 -1.314 508 HB1 ALA 65 HB1 ALA 65 5.695 2.997 0.878 509 HB2 ALA 65 HB2 ALA 65 4.910 4.576 1.083 510 HB3 ALA 65 HB3 ALA 65 4.043 3.069 1.475 511 H LEU 66 H LEU 66 2.278 2.050 0.104 512 HA LEU 66 HA LEU 66 3.358 -0.516 -0.777 513 HB2 LEU 66 HB2 LEU 66 2.015 -0.040 1.359 514 HB3 LEU 66 HB3 LEU 66 0.584 0.040 0.333 515 HG LEU 66 HG LEU 66 1.006 -2.315 -0.400 516 HD11 LEU 66 HD11 LEU 66 3.392 -2.100 1.498 517 HD12 LEU 66 HD12 LEU 66 3.408 -2.595 -0.207 518 HD13 LEU 66 HD13 LEU 66 2.700 -3.648 1.020 519 HD21 LEU 66 HD21 LEU 66 -0.406 -1.809 1.584 520 HD22 LEU 66 HD22 LEU 66 1.006 -1.991 2.633 521 HD23 LEU 66 HD23 LEU 66 0.388 -3.376 1.701 522 H ALA 67 H ALA 67 0.671 1.639 -1.847 523 HA ALA 67 HA ALA 67 -0.453 -0.091 -3.745 524 HB1 ALA 67 HB1 ALA 67 -0.387 2.949 -3.642 525 HB2 ALA 67 HB2 ALA 67 -1.475 2.028 -4.674 526 HB3 ALA 67 HB3 ALA 67 -1.623 1.884 -2.930 527 H ALA 68 H ALA 68 2.465 1.930 -4.012 528 HA ALA 68 HA ALA 68 2.656 1.951 -6.822 529 HB1 ALA 68 HB1 ALA 68 4.104 3.317 -5.399 530 HB2 ALA 68 HB2 ALA 68 4.899 1.850 -4.758 531 HB3 ALA 68 HB3 ALA 68 5.077 2.297 -6.471 532 H TYR 69 H TYR 69 3.300 -0.729 -4.562 533 HA TYR 69 HA TYR 69 4.797 -2.270 -6.500 534 HB2 TYR 69 HB2 TYR 69 3.430 -2.948 -3.891 535 HB3 TYR 69 HB3 TYR 69 4.009 -4.197 -4.999 536 HD1 TYR 69 HD1 TYR 69 5.493 -0.909 -3.851 537 HD2 TYR 69 HD2 TYR 69 5.956 -5.186 -4.203 538 HE1 TYR 69 HE1 TYR 69 7.842 -0.702 -3.190 539 HE2 TYR 69 HE2 TYR 69 8.318 -4.984 -3.589 540 HH TYR 69 HH TYR 69 10.142 -3.425 -3.339 541 H HIS 70 H HIS 70 1.291 -2.262 -5.467 542 HA HIS 70 HA HIS 70 0.599 -4.261 -7.412 543 HB2 HIS 70 HB2 HIS 70 -0.998 -3.952 -5.743 544 HB3 HIS 70 HB3 HIS 70 -0.971 -2.203 -5.872 545 HD1 HIS 70 HD1 HIS 70 -2.933 -5.193 -7.350 546 HD2 HIS 70 HD2 HIS 70 -2.079 -1.135 -8.079 547 HE1 HIS 70 HE1 HIS 70 -4.650 -4.366 -8.972 548 H ALA 71 H ALA 71 1.131 -0.740 -7.711 549 HA ALA 71 HA ALA 71 -0.126 -0.407 -10.217 550 HB1 ALA 71 HB1 ALA 71 1.142 1.632 -10.407 551 HB2 ALA 71 HB2 ALA 71 0.645 1.430 -8.731 552 HB3 ALA 71 HB3 ALA 71 2.328 1.085 -9.224 553 H LYS 72 H LYS 72 2.829 -2.118 -9.507 554 HA LYS 72 HA LYS 72 3.567 -2.184 -12.385 555 HB2 LYS 72 HB2 LYS 72 5.704 -3.139 -11.694 556 HB3 LYS 72 HB3 LYS 72 5.415 -1.521 -11.076 557 HG2 LYS 72 HG2 LYS 72 5.083 -2.284 -8.847 558 HG3 LYS 72 HG3 LYS 72 4.940 -3.991 -9.377 559 HD2 LYS 72 HD2 LYS 72 7.213 -4.081 -10.030 560 HD3 LYS 72 HD3 LYS 72 7.427 -2.315 -9.800 561 HE2 LYS 72 HE2 LYS 72 7.019 -2.686 -7.346 562 HE3 LYS 72 HE3 LYS 72 7.046 -4.435 -7.679 563 HZ1 LYS 72 HZ1 LYS 72 9.264 -3.870 -8.823 564 HZ2 LYS 72 HZ2 LYS 72 9.232 -3.915 -7.164 565 HZ3 LYS 72 HZ3 LYS 72 9.217 -2.473 -7.950 566 H HIS 73 H HIS 73 1.459 -3.777 -10.573 567 HA HIS 73 HA HIS 73 2.072 -6.407 -11.791 568 HB2 HIS 73 HB2 HIS 73 0.784 -6.043 -9.083 569 HB3 HIS 73 HB3 HIS 73 1.215 -7.550 -9.876 570 HD1 HIS 73 HD1 HIS 73 2.343 -6.326 -6.962 571 HD2 HIS 73 HD2 HIS 73 4.317 -6.791 -10.637 572 HE1 HIS 73 HE1 HIS 73 4.843 -6.205 -6.473 573 H CYS 74 H CYS 74 -0.143 -3.804 -11.431 574 HA CYS 74 HA CYS 74 -2.526 -5.323 -12.016 575 HB2 CYS 74 HB2 CYS 74 -2.141 -2.925 -10.907 576 HB3 CYS 74 HB3 CYS 74 -2.325 -2.386 -12.605 577 H GLN 75 H GLN 75 -2.684 -6.316 -13.865 578 HA GLN 75 HA GLN 75 -1.212 -5.783 -16.277 579 HB2 GLN 75 HB2 GLN 75 -2.004 -7.996 -15.463 580 HB3 GLN 75 HB3 GLN 75 -3.671 -7.453 -15.600 581 HG2 GLN 75 HG2 GLN 75 -3.159 -8.919 -17.427 582 HG3 GLN 75 HG3 GLN 75 -3.454 -7.300 -18.039 583 HE21 GLN 75 HE21 GLN 75 -0.724 -9.508 -17.056 584 HE22 GLN 75 HE22 GLN 75 0.311 -9.002 -18.377 585 H GLU 76 H GLU 76 -4.137 -4.523 -14.926 586 HA GLU 76 HA GLU 76 -5.396 -3.737 -17.435 587 HB2 GLU 76 HB2 GLU 76 -5.983 -3.032 -14.510 588 HB3 GLU 76 HB3 GLU 76 -7.027 -2.645 -15.874 589 HG2 GLU 76 HG2 GLU 76 -6.346 -5.426 -14.816 590 HG3 GLU 76 HG3 GLU 76 -7.900 -4.593 -14.751 591 H ASN 77 H ASN 77 -5.827 -1.609 -18.066 592 HA ASN 77 HA ASN 77 -3.838 0.439 -17.235 593 HB2 ASN 77 HB2 ASN 77 -5.295 0.060 -19.837 594 HB3 ASN 77 HB3 ASN 77 -4.296 1.441 -19.436 595 HD21 ASN 77 HD21 ASN 77 -3.811 -0.367 -21.611 596 HD22 ASN 77 HD22 ASN 77 -2.279 -1.176 -21.298 597 H LYS 78 H LYS 78 -6.796 -0.478 -16.432 598 HA LYS 78 HA LYS 78 -7.806 2.197 -15.826 599 HB2 LYS 78 HB2 LYS 78 -10.126 1.528 -16.491 600 HB3 LYS 78 HB3 LYS 78 -8.989 1.919 -17.772 601 HG2 LYS 78 HG2 LYS 78 -8.660 -0.542 -18.211 602 HG3 LYS 78 HG3 LYS 78 -9.860 -0.895 -16.967 603 HD2 LYS 78 HD2 LYS 78 -10.860 -1.016 -19.191 604 HD3 LYS 78 HD3 LYS 78 -11.576 0.322 -18.276 605 HE2 LYS 78 HE2 LYS 78 -10.111 1.925 -19.438 606 HE3 LYS 78 HE3 LYS 78 -9.297 0.611 -20.304 607 HZ1 LYS 78 HZ1 LYS 78 -12.186 1.164 -20.558 608 HZ2 LYS 78 HZ2 LYS 78 -11.244 0.226 -21.534 609 HZ3 LYS 78 HZ3 LYS 78 -11.043 1.845 -21.534 610 H CYS 79 H CYS 79 -6.632 1.253 -13.938 611 HA CYS 79 HA CYS 79 -7.541 -1.002 -12.528 612 HB2 CYS 79 HB2 CYS 79 -6.260 1.555 -11.453 613 HB3 CYS 79 HB3 CYS 79 -6.386 0.033 -10.574 614 HA PRO 80 HA PRO 80 -11.220 0.696 -10.570 615 HB2 PRO 80 HB2 PRO 80 -11.745 -1.259 -8.754 616 HB3 PRO 80 HB3 PRO 80 -11.743 -1.616 -10.501 617 HG2 PRO 80 HG2 PRO 80 -9.471 -2.047 -8.556 618 HG3 PRO 80 HG3 PRO 80 -10.179 -3.217 -9.729 619 HD2 PRO 80 HD2 PRO 80 -7.957 -1.763 -10.306 620 HD3 PRO 80 HD3 PRO 80 -9.182 -2.172 -11.546 621 H VAL 81 H VAL 81 -8.189 0.926 -9.228 622 HA VAL 81 HA VAL 81 -9.123 1.938 -6.603 623 HB VAL 81 HB VAL 81 -6.435 0.808 -7.392 624 HG11 VAL 81 HG11 VAL 81 -7.362 1.898 -4.692 625 HG12 VAL 81 HG12 VAL 81 -5.820 1.066 -5.012 626 HG13 VAL 81 HG13 VAL 81 -6.130 2.614 -5.760 627 HG21 VAL 81 HG21 VAL 81 -7.113 -0.873 -5.492 628 HG22 VAL 81 HG22 VAL 81 -8.763 -0.268 -5.746 629 HG23 VAL 81 HG23 VAL 81 -7.881 -1.051 -7.070 630 HA PRO 82 HA PRO 82 -8.047 5.753 -8.674 631 HB2 PRO 82 HB2 PRO 82 -8.226 7.475 -6.483 632 HB3 PRO 82 HB3 PRO 82 -9.596 6.905 -7.489 633 HG2 PRO 82 HG2 PRO 82 -8.708 5.975 -4.780 634 HG3 PRO 82 HG3 PRO 82 -10.358 6.040 -5.476 635 HD2 PRO 82 HD2 PRO 82 -8.816 3.753 -5.240 636 HD3 PRO 82 HD3 PRO 82 -10.164 3.932 -6.379 637 H PHE 83 H PHE 83 -6.310 4.531 -5.872 638 HA PHE 83 HA PHE 83 -4.176 6.513 -6.095 639 HB2 PHE 83 HB2 PHE 83 -4.758 4.212 -4.279 640 HB3 PHE 83 HB3 PHE 83 -3.086 4.719 -4.489 641 HD1 PHE 83 HD1 PHE 83 -6.423 6.587 -4.136 642 HD2 PHE 83 HD2 PHE 83 -2.315 6.135 -2.905 643 HE1 PHE 83 HE1 PHE 83 -6.687 8.473 -2.574 644 HE2 PHE 83 HE2 PHE 83 -2.578 8.089 -1.354 645 HZ PHE 83 HZ PHE 83 -4.781 9.221 -1.161 646 H CYS 84 H CYS 84 -4.738 3.215 -7.309 647 HA CYS 84 HA CYS 84 -2.086 2.671 -8.137 648 HB2 CYS 84 HB2 CYS 84 -4.116 1.057 -8.032 649 HB3 CYS 84 HB3 CYS 84 -4.668 1.801 -9.529 650 H LEU 85 H LEU 85 -4.830 3.980 -10.014 651 HA LEU 85 HA LEU 85 -3.358 4.645 -12.307 652 HB2 LEU 85 HB2 LEU 85 -5.243 6.034 -12.984 653 HB3 LEU 85 HB3 LEU 85 -5.658 4.445 -12.362 654 HG LEU 85 HG LEU 85 -6.245 5.627 -10.147 655 HD11 LEU 85 HD11 LEU 85 -7.213 7.896 -10.449 656 HD12 LEU 85 HD12 LEU 85 -6.501 7.976 -12.085 657 HD13 LEU 85 HD13 LEU 85 -5.480 7.938 -10.653 658 HD21 LEU 85 HD21 LEU 85 -7.992 5.946 -12.619 659 HD22 LEU 85 HD22 LEU 85 -8.555 5.987 -10.937 660 HD23 LEU 85 HD23 LEU 85 -7.873 4.500 -11.571 661 H ASN 86 H ASN 86 -3.988 6.683 -9.457 662 HA ASN 86 HA ASN 86 -2.814 9.071 -10.302 663 HB2 ASN 86 HB2 ASN 86 -3.971 9.042 -8.254 664 HB3 ASN 86 HB3 ASN 86 -3.093 7.619 -7.673 665 HD21 ASN 86 HD21 ASN 86 -1.837 8.021 -6.037 666 HD22 ASN 86 HD22 ASN 86 -1.434 9.660 -5.588 667 H ILE 87 H ILE 87 -1.224 6.229 -8.817 668 HA ILE 87 HA ILE 87 1.374 7.376 -8.718 669 HB ILE 87 HB ILE 87 0.314 4.533 -8.755 670 HG12 ILE 87 HG12 ILE 87 1.645 6.099 -6.512 671 HG13 ILE 87 HG13 ILE 87 -0.073 6.259 -6.807 672 HG21 ILE 87 HG21 ILE 87 2.520 3.769 -8.030 673 HG22 ILE 87 HG22 ILE 87 2.608 4.465 -9.641 674 HG23 ILE 87 HG23 ILE 87 3.181 5.402 -8.241 675 HD11 ILE 87 HD11 ILE 87 0.118 4.649 -5.119 676 HD12 ILE 87 HD12 ILE 87 -0.308 3.752 -6.585 677 HD13 ILE 87 HD13 ILE 87 1.372 3.744 -5.987 678 H LYS 88 H LYS 88 -0.227 5.370 -11.303 679 HA LYS 88 HA LYS 88 2.047 5.407 -13.041 680 HB2 LYS 88 HB2 LYS 88 -0.873 5.293 -13.895 681 HB3 LYS 88 HB3 LYS 88 0.523 4.731 -14.800 682 HG2 LYS 88 HG2 LYS 88 -0.580 3.516 -12.239 683 HG3 LYS 88 HG3 LYS 88 -0.790 2.898 -13.856 684 HD2 LYS 88 HD2 LYS 88 1.839 3.025 -12.305 685 HD3 LYS 88 HD3 LYS 88 0.827 1.610 -12.644 686 HE2 LYS 88 HE2 LYS 88 1.192 2.409 -15.164 687 HE3 LYS 88 HE3 LYS 88 2.660 3.116 -14.491 688 HZ1 LYS 88 HZ1 LYS 88 1.843 0.266 -14.328 689 HZ2 LYS 88 HZ2 LYS 88 3.229 0.914 -13.683 690 HZ3 LYS 88 HZ3 LYS 88 2.986 0.889 -15.316 691 H GLN 89 H GLN 89 -0.669 7.715 -12.694 692 HA GLN 89 HA GLN 89 -0.169 9.238 -15.036 693 HB2 GLN 89 HB2 GLN 89 -1.402 9.949 -12.335 694 HB3 GLN 89 HB3 GLN 89 -1.345 11.073 -13.693 695 HG2 GLN 89 HG2 GLN 89 -2.657 9.592 -15.085 696 HG3 GLN 89 HG3 GLN 89 -2.637 8.321 -13.894 697 HE21 GLN 89 HE21 GLN 89 -4.398 10.980 -15.044 698 HE22 GLN 89 HE22 GLN 89 -5.604 11.007 -13.757 699 H LYS 90 H LYS 90 1.204 9.422 -11.772 700 HA LYS 90 HA LYS 90 2.848 11.767 -12.446 701 HB2 LYS 90 HB2 LYS 90 2.739 9.921 -10.024 702 HB3 LYS 90 HB3 LYS 90 3.716 11.388 -10.115 703 HG2 LYS 90 HG2 LYS 90 1.681 12.750 -10.437 704 HG3 LYS 90 HG3 LYS 90 0.667 11.300 -10.346 705 HD2 LYS 90 HD2 LYS 90 2.511 12.285 -8.116 706 HD3 LYS 90 HD3 LYS 90 0.765 12.589 -8.214 707 HE2 LYS 90 HE2 LYS 90 0.364 10.137 -8.250 708 HE3 LYS 90 HE3 LYS 90 2.088 9.849 -7.995 709 HZ1 LYS 90 HZ1 LYS 90 0.623 9.859 -5.977 710 HZ2 LYS 90 HZ2 LYS 90 0.484 11.479 -6.115 711 HZ3 LYS 90 HZ3 LYS 90 1.965 10.805 -5.867 712 H GLY 91 H GLY 91 3.279 8.256 -12.326 713 HA2 GLY 91 HA2 GLY 91 4.977 6.941 -13.145 714 HA3 GLY 91 HA3 GLY 91 5.933 8.376 -13.556 715 H GLY 92 H GLY 92 6.797 9.630 -11.657 716 HA2 GLY 92 HA2 GLY 92 7.762 9.936 -9.578 717 HA3 GLY 92 HA3 GLY 92 6.776 8.611 -8.942 718 H SER 93 H SER 93 9.534 9.209 -11.149 719 HA SER 93 HA SER 93 10.706 6.781 -11.369 720 HB2 SER 93 HB2 SER 93 11.987 9.478 -10.990 721 HB3 SER 93 HB3 SER 93 12.772 8.110 -11.777 722 HG SER 93 HG SER 93 11.378 8.260 -13.445 723 H GLY 94 H GLY 94 11.135 9.016 -8.539 724 HA2 GLY 94 HA2 GLY 94 11.580 8.268 -6.383 725 HA3 GLY 94 HA3 GLY 94 12.241 6.751 -6.990 726 H GLY 95 H GLY 95 13.145 9.972 -8.269 727 HA2 GLY 95 HA2 GLY 95 15.108 11.058 -8.472 728 HA3 GLY 95 HA3 GLY 95 15.344 10.642 -6.796 729 H GLY 96 H GLY 96 15.416 7.725 -8.574 730 HA2 GLY 96 HA2 GLY 96 17.173 6.684 -9.784 731 HA3 GLY 96 HA3 GLY 96 18.301 7.924 -9.250 732 H THR 97 H THR 97 16.355 6.821 -6.678 733 HA THR 97 HA THR 97 18.290 5.867 -5.055 734 HB THR 97 HB THR 97 16.024 6.781 -4.639 735 HG1 THR 97 HG1 THR 97 16.950 4.608 -3.137 736 HG21 THR 97 HG21 THR 97 15.038 3.918 -4.705 737 HG22 THR 97 HG22 THR 97 14.718 5.113 -5.982 738 HG23 THR 97 HG23 THR 97 14.129 5.399 -4.341 739 H GLY 98 H GLY 98 18.154 4.025 -7.625 740 HA2 GLY 98 HA2 GLY 98 19.009 1.913 -7.967 741 HA3 GLY 98 HA3 GLY 98 18.930 1.602 -6.241 742 H GLY 99 H GLY 99 15.838 2.375 -6.647 743 HA2 GLY 99 HA2 GLY 99 13.883 1.196 -6.821 744 HA3 GLY 99 HA3 GLY 99 14.592 0.492 -8.271 745 H GLY 100 H GLY 100 16.020 -0.178 -5.055 746 HA2 GLY 100 HA2 GLY 100 15.765 -2.012 -3.673 747 HA3 GLY 100 HA3 GLY 100 14.560 -2.706 -4.750 748 H SER 101 H SER 101 17.736 -1.620 -5.949 749 HA SER 101 HA SER 101 18.257 -4.181 -7.126 750 HB2 SER 101 HB2 SER 101 19.077 -1.972 -7.996 751 HB3 SER 101 HB3 SER 101 20.183 -1.888 -6.632 752 HG SER 101 HG SER 101 20.105 -4.041 -8.507 753 H GLY 102 H GLY 102 19.561 -2.483 -4.215 754 HA2 GLY 102 HA2 GLY 102 20.353 -3.389 -2.226 755 HA3 GLY 102 HA3 GLY 102 19.950 -5.021 -2.807 756 H THR 103 H THR 103 22.039 -2.414 -4.197 757 HA THR 103 HA THR 103 24.103 -4.190 -5.095 758 HB THR 103 HB THR 103 25.141 -1.783 -5.489 759 HG1 THR 103 HG1 THR 103 23.932 -0.181 -4.672 760 HG21 THR 103 HG21 THR 103 23.572 -1.414 -7.351 761 HG22 THR 103 HG22 THR 103 22.434 -2.543 -6.599 762 HG23 THR 103 HG23 THR 103 23.993 -3.132 -7.222 763 H ILE 104 H ILE 104 23.656 -1.892 -2.458 764 HA ILE 104 HA ILE 104 26.041 -2.952 -1.030 765 HB ILE 104 HB ILE 104 25.405 -0.018 -1.642 766 HG12 ILE 104 HG12 ILE 104 27.713 -1.854 -2.399 767 HG13 ILE 104 HG13 ILE 104 26.529 -1.126 -3.485 768 HG21 ILE 104 HG21 ILE 104 27.375 0.565 -0.248 769 HG22 ILE 104 HG22 ILE 104 26.098 -0.177 0.693 770 HG23 ILE 104 HG23 ILE 104 27.516 -1.148 0.236 771 HD11 ILE 104 HD11 ILE 104 27.432 1.130 -2.920 772 HD12 ILE 104 HD12 ILE 104 28.746 0.295 -2.039 773 HD13 ILE 104 HD13 ILE 104 28.555 0.043 -3.769 774 H GLU 105 H GLU 105 22.930 -1.136 -1.020 775 HA GLU 105 HA GLU 105 22.915 -1.276 1.939 776 HB2 GLU 105 HB2 GLU 105 20.795 -0.286 0.003 777 HB3 GLU 105 HB3 GLU 105 20.663 -0.218 1.755 778 HG2 GLU 105 HG2 GLU 105 22.955 1.107 0.260 779 HG3 GLU 105 HG3 GLU 105 21.416 1.908 0.550 780 H GLY 106 H GLY 106 21.029 -2.261 3.033 781 HA2 GLY 106 HA2 GLY 106 19.690 -4.015 3.532 782 HA3 GLY 106 HA3 GLY 106 19.642 -4.446 1.810 783 H ARG 107 H ARG 107 22.546 -4.684 1.597 784 HA ARG 107 HA ARG 107 24.096 -6.367 1.557 785 HB2 ARG 107 HB2 ARG 107 23.593 -6.164 4.519 786 HB3 ARG 107 HB3 ARG 107 25.030 -6.871 3.769 787 HG2 ARG 107 HG2 ARG 107 25.790 -4.777 2.949 788 HG3 ARG 107 HG3 ARG 107 24.268 -3.953 3.308 789 HD2 ARG 107 HD2 ARG 107 25.849 -5.256 5.535 790 HD3 ARG 107 HD3 ARG 107 26.286 -3.663 4.915 791 HE ARG 107 HE ARG 107 24.332 -2.708 5.652 792 HH11 ARG 107 HH11 ARG 107 24.120 -6.219 6.434 793 HH12 ARG 107 HH12 ARG 107 23.029 -5.976 7.738 794 HH21 ARG 107 HH21 ARG 107 23.030 -2.453 7.607 795 HH22 ARG 107 HH22 ARG 107 22.213 -3.871 8.201 796 H GLY 108 H GLY 108 21.967 -7.474 0.628 797 HA2 GLY 108 HA2 GLY 108 21.187 -9.634 0.200 798 HA3 GLY 108 HA3 GLY 108 21.938 -10.211 1.701 799 H ASP 109 H ASP 109 19.480 -7.770 0.778 800 HA ASP 109 HA ASP 109 17.736 -8.589 3.072 801 HB2 ASP 109 HB2 ASP 109 16.768 -6.447 3.035 802 HB3 ASP 109 HB3 ASP 109 18.493 -6.168 2.951 803 H GLY 110 H GLY 110 18.003 -8.615 -0.380 804 HA2 GLY 110 HA2 GLY 110 16.519 -9.812 -1.786 805 HA3 GLY 110 HA3 GLY 110 15.218 -9.630 -0.612 806 H GLY 111 H GLY 111 16.752 -6.596 -0.904 807 HA2 GLY 111 HA2 GLY 111 16.472 -4.756 -2.260 808 HA3 GLY 111 HA3 GLY 111 15.437 -5.683 -3.338 809 H THR 112 H THR 112 14.716 -5.580 0.142 810 HA THR 112 HA THR 112 12.252 -4.039 -0.438 811 HB THR 112 HB THR 112 11.504 -5.225 1.707 812 HG1 THR 112 HG1 THR 112 13.556 -5.956 2.419 813 HG21 THR 112 HG21 THR 112 10.787 -5.862 -0.534 814 HG22 THR 112 HG22 THR 112 11.048 -7.308 0.481 815 HG23 THR 112 HG23 THR 112 12.253 -6.864 -0.738 816 H THR 113 H THR 113 14.974 -2.763 0.267 817 HA THR 113 HA THR 113 14.800 -1.907 2.874 818 HB THR 113 HB THR 113 16.729 -1.616 1.265 819 HG1 THR 113 HG1 THR 113 16.290 -0.625 3.463 820 HG21 THR 113 HG21 THR 113 17.001 0.530 0.140 821 HG22 THR 113 HG22 THR 113 15.359 1.012 0.592 822 HG23 THR 113 HG23 THR 113 15.608 -0.349 -0.525 823 H PHE 114 H PHE 114 12.660 -0.793 0.348 824 HA PHE 114 HA PHE 114 11.951 1.709 1.412 825 HB2 PHE 114 HB2 PHE 114 10.026 1.646 0.148 826 HB3 PHE 114 HB3 PHE 114 11.081 0.555 -0.741 827 HD1 PHE 114 HD1 PHE 114 8.014 0.888 1.268 828 HD2 PHE 114 HD2 PHE 114 10.764 -1.968 -0.420 829 HE1 PHE 114 HE1 PHE 114 6.304 -0.912 1.494 830 HE2 PHE 114 HE2 PHE 114 9.058 -3.741 -0.206 831 HZ PHE 114 HZ PHE 114 6.824 -3.220 0.741 832 H GLU 115 H GLU 115 11.333 -1.484 2.764 833 HA GLU 115 HA GLU 115 9.089 -0.884 4.367 834 HB2 GLU 115 HB2 GLU 115 11.303 -2.925 4.783 835 HB3 GLU 115 HB3 GLU 115 9.827 -2.810 5.752 836 HG2 GLU 115 HG2 GLU 115 8.679 -2.753 3.296 837 HG3 GLU 115 HG3 GLU 115 10.127 -3.648 2.869 838 H HIS 116 H HIS 116 12.334 0.340 4.691 839 HA HIS 116 HA HIS 116 12.499 0.840 7.444 840 HB2 HIS 116 HB2 HIS 116 14.120 2.409 6.955 841 HB3 HIS 116 HB3 HIS 116 14.190 1.394 5.525 842 HD1 HIS 116 HD1 HIS 116 13.153 4.932 6.671 843 HD2 HIS 116 HD2 HIS 116 13.344 2.591 3.164 844 HE1 HIS 116 HE1 HIS 116 12.701 6.485 4.731 845 H LEU 117 H LEU 117 10.409 2.377 5.026 846 HA LEU 117 HA LEU 117 9.712 4.752 6.407 847 HB2 LEU 117 HB2 LEU 117 8.295 3.020 4.349 848 HB3 LEU 117 HB3 LEU 117 7.458 4.331 5.153 849 HG LEU 117 HG LEU 117 9.597 5.755 4.372 850 HD11 LEU 117 HD11 LEU 117 10.274 5.117 2.112 851 HD12 LEU 117 HD12 LEU 117 9.228 3.682 2.156 852 HD13 LEU 117 HD13 LEU 117 10.632 3.797 3.223 853 HD21 LEU 117 HD21 LEU 117 8.228 6.459 2.424 854 HD22 LEU 117 HD22 LEU 117 7.274 6.302 3.896 855 HD23 LEU 117 HD23 LEU 117 7.190 5.028 2.647 856 H TRP 118 H TRP 118 8.638 1.363 6.981 857 HA TRP 118 HA TRP 118 6.285 2.063 8.443 858 HB2 TRP 118 HB2 TRP 118 8.039 -0.404 8.666 859 HB3 TRP 118 HB3 TRP 118 6.360 -0.255 9.161 860 HD1 TRP 118 HD1 TRP 118 7.955 -2.047 6.766 861 HE1 TRP 118 HE1 TRP 118 6.607 -2.399 4.588 862 HE3 TRP 118 HE3 TRP 118 4.568 1.718 7.294 863 HZ2 TRP 118 HZ2 TRP 118 4.570 -0.983 3.111 864 HZ3 TRP 118 HZ3 TRP 118 2.865 2.114 5.578 865 HH2 TRP 118 HH2 TRP 118 2.852 0.816 3.460 866 H SER 119 H SER 119 9.695 1.901 9.313 867 HA SER 119 HA SER 119 9.390 1.919 12.126 868 HB2 SER 119 HB2 SER 119 11.461 1.604 10.454 869 HB3 SER 119 HB3 SER 119 11.660 3.333 10.704 870 HG SER 119 HG SER 119 11.455 2.532 13.110 871 H SER 120 H SER 120 8.848 4.388 9.721 872 HA SER 120 HA SER 120 8.976 6.623 11.635 873 HB2 SER 120 HB2 SER 120 8.288 6.764 8.700 874 HB3 SER 120 HB3 SER 120 9.039 7.997 9.720 875 HG SER 120 HG SER 120 10.821 6.264 9.829 876 H LEU 121 H LEU 121 6.640 4.333 10.690 877 HA LEU 121 HA LEU 121 4.364 6.201 10.585 878 HB2 LEU 121 HB2 LEU 121 4.788 4.193 8.964 879 HB3 LEU 121 HB3 LEU 121 4.406 3.172 10.336 880 HG LEU 121 HG LEU 121 2.056 4.295 10.379 881 HD11 LEU 121 HD11 LEU 121 2.917 5.346 7.652 882 HD12 LEU 121 HD12 LEU 121 2.925 6.362 9.101 883 HD13 LEU 121 HD13 LEU 121 1.417 5.676 8.557 884 HD21 LEU 121 HD21 LEU 121 2.665 2.079 9.314 885 HD22 LEU 121 HD22 LEU 121 2.706 2.955 7.763 886 HD23 LEU 121 HD23 LEU 121 1.226 2.885 8.743 887 H GLU 122 H GLU 122 2.359 5.226 11.862 888 HA GLU 122 HA GLU 122 3.021 5.339 14.632 889 HB2 GLU 122 HB2 GLU 122 0.836 6.054 13.358 890 HB3 GLU 122 HB3 GLU 122 0.412 4.353 13.382 891 HG2 GLU 122 HG2 GLU 122 -0.662 5.376 15.266 892 HG3 GLU 122 HG3 GLU 122 0.635 4.375 15.898 893 HA PRO 123 HA PRO 123 3.730 0.827 14.773 894 HB2 PRO 123 HB2 PRO 123 4.144 0.456 17.432 895 HB3 PRO 123 HB3 PRO 123 5.316 1.359 16.424 896 HG2 PRO 123 HG2 PRO 123 3.121 2.491 18.199 897 HG3 PRO 123 HG3 PRO 123 4.845 2.975 18.133 898 HD2 PRO 123 HD2 PRO 123 2.872 4.308 16.759 899 HD3 PRO 123 HD3 PRO 123 4.534 4.154 16.120 900 H ASP 124 H ASP 124 1.178 2.589 16.209 901 HA ASP 124 HA ASP 124 -0.467 0.231 16.893 902 HB2 ASP 124 HB2 ASP 124 -0.037 2.936 18.065 903 HB3 ASP 124 HB3 ASP 124 -1.703 2.454 17.983 904 H SER 125 H SER 125 -0.096 1.285 14.103 905 HA SER 125 HA SER 125 -2.158 2.870 13.145 906 HB2 SER 125 HB2 SER 125 -1.687 1.551 11.009 907 HB3 SER 125 HB3 SER 125 -0.333 2.400 11.773 908 HG SER 125 HG SER 125 -0.873 -0.332 12.349 909 H THR 126 H THR 126 -4.043 2.288 14.395 910 HA THR 126 HA THR 126 -5.487 -0.049 14.412 911 HB THR 126 HB THR 126 -5.805 1.921 15.830 912 HG1 THR 126 HG1 THR 126 -7.694 1.192 16.207 913 HG21 THR 126 HG21 THR 126 -7.144 3.852 15.091 914 HG22 THR 126 HG22 THR 126 -7.086 3.258 13.421 915 HG23 THR 126 HG23 THR 126 -5.599 3.761 14.247 916 H TYR 127 H TYR 127 -4.867 1.602 11.607 917 HA TYR 127 HA TYR 127 -7.312 0.813 10.121 918 HB2 TYR 127 HB2 TYR 127 -6.403 2.479 8.486 919 HB3 TYR 127 HB3 TYR 127 -6.773 3.176 10.057 920 HD1 TYR 127 HD1 TYR 127 -4.015 2.077 7.815 921 HD2 TYR 127 HD2 TYR 127 -4.989 4.086 11.514 922 HE1 TYR 127 HE1 TYR 127 -1.658 2.844 8.032 923 HE2 TYR 127 HE2 TYR 127 -2.620 4.915 11.652 924 HH TYR 127 HH TYR 127 -0.381 4.478 8.975 925 H PHE 128 H PHE 128 -3.931 -0.063 10.604 926 HA PHE 128 HA PHE 128 -3.924 -1.673 8.110 927 HB2 PHE 128 HB2 PHE 128 -2.120 0.357 9.117 928 HB3 PHE 128 HB3 PHE 128 -1.301 -1.176 9.227 929 HD1 PHE 128 HD1 PHE 128 0.240 -1.247 7.423 930 HD2 PHE 128 HD2 PHE 128 -3.786 0.132 6.698 931 HE1 PHE 128 HE1 PHE 128 0.730 -1.070 5.017 932 HE2 PHE 128 HE2 PHE 128 -3.284 0.285 4.245 933 HZ PHE 128 HZ PHE 128 -1.023 -0.322 3.430 934 H ASP 129 H ASP 129 -1.811 -3.222 8.488 935 HA ASP 129 HA ASP 129 -2.860 -5.242 10.297 936 HB2 ASP 129 HB2 ASP 129 -1.816 -5.538 7.896 937 HB3 ASP 129 HB3 ASP 129 -0.276 -5.464 8.743 938 H LEU 130 H LEU 130 -2.063 -5.684 12.212 939 HA LEU 130 HA LEU 130 -0.101 -3.893 13.515 940 HB2 LEU 130 HB2 LEU 130 -0.863 -4.934 15.576 941 HB3 LEU 130 HB3 LEU 130 -2.173 -4.215 14.672 942 HG LEU 130 HG LEU 130 -2.511 -6.723 13.757 943 HD11 LEU 130 HD11 LEU 130 -0.579 -7.727 14.897 944 HD12 LEU 130 HD12 LEU 130 -2.083 -8.371 15.552 945 HD13 LEU 130 HD13 LEU 130 -1.177 -7.153 16.469 946 HD21 LEU 130 HD21 LEU 130 -4.183 -5.411 14.973 947 HD22 LEU 130 HD22 LEU 130 -3.382 -5.802 16.511 948 HD23 LEU 130 HD23 LEU 130 -4.133 -7.095 15.528 Start of MODEL 18 1 H1 ALA 1 H ALA 1 6.578 -13.000 -6.766 2 HA ALA 1 HA ALA 1 6.278 -14.392 -8.762 3 HB1 ALA 1 HB1 ALA 1 8.536 -12.370 -9.072 4 HB2 ALA 1 HB2 ALA 1 7.561 -13.070 -10.377 5 HB3 ALA 1 HB3 ALA 1 6.797 -12.036 -9.166 6 H THR 2 H THR 2 9.852 -13.929 -8.439 7 HA THR 2 HA THR 2 10.185 -16.847 -8.926 8 HB THR 2 HB THR 2 11.982 -14.728 -10.142 9 HG1 THR 2 HG1 THR 2 9.964 -15.859 -11.690 10 HG21 THR 2 HG21 THR 2 11.410 -17.613 -10.905 11 HG22 THR 2 HG22 THR 2 12.879 -16.980 -10.145 12 HG23 THR 2 HG23 THR 2 12.461 -16.492 -11.797 13 H GLN 3 H GLN 3 12.209 -13.916 -8.325 14 HA GLN 3 HA GLN 3 13.957 -15.357 -6.566 15 HB2 GLN 3 HB2 GLN 3 14.771 -13.641 -8.103 16 HB3 GLN 3 HB3 GLN 3 13.714 -12.438 -7.389 17 HG2 GLN 3 HG2 GLN 3 16.194 -12.353 -6.746 18 HG3 GLN 3 HG3 GLN 3 15.000 -12.215 -5.462 19 HE21 GLN 3 HE21 GLN 3 16.436 -15.135 -7.154 20 HE22 GLN 3 HE22 GLN 3 16.836 -15.927 -5.653 21 H SER 4 H SER 4 13.215 -15.939 -4.628 22 HA SER 4 HA SER 4 13.003 -14.321 -2.512 23 HB2 SER 4 HB2 SER 4 10.922 -13.312 -3.225 24 HB3 SER 4 HB3 SER 4 10.172 -14.911 -3.434 25 HG SER 4 HG SER 4 11.334 -14.255 -0.957 26 HA PRO 5 HA PRO 5 13.130 -18.918 -1.956 27 HB2 PRO 5 HB2 PRO 5 15.663 -19.246 -1.068 28 HB3 PRO 5 HB3 PRO 5 15.314 -18.940 -2.800 29 HG2 PRO 5 HG2 PRO 5 16.170 -16.951 -0.691 30 HG3 PRO 5 HG3 PRO 5 16.836 -17.183 -2.348 31 HD2 PRO 5 HD2 PRO 5 14.944 -15.268 -1.763 32 HD3 PRO 5 HD3 PRO 5 15.048 -16.115 -3.342 33 H GLY 6 H GLY 6 13.163 -16.247 0.222 34 HA2 GLY 6 HA2 GLY 6 12.033 -17.458 2.406 35 HA3 GLY 6 HA3 GLY 6 13.777 -17.647 2.693 36 H ASP 7 H ASP 7 11.133 -15.393 2.454 37 HA ASP 7 HA ASP 7 12.767 -13.209 3.454 38 HB2 ASP 7 HB2 ASP 7 11.254 -12.647 0.891 39 HB3 ASP 7 HB3 ASP 7 12.485 -11.657 1.663 40 H SER 8 H SER 8 11.293 -13.623 5.242 41 HA SER 8 HA SER 8 8.530 -13.822 5.154 42 HB2 SER 8 HB2 SER 8 8.668 -12.803 7.508 43 HB3 SER 8 HB3 SER 8 9.611 -14.272 7.182 44 HG SER 8 HG SER 8 11.261 -13.209 7.798 45 H ARG 9 H ARG 9 10.449 -10.828 5.128 46 HA ARG 9 HA ARG 9 8.407 -8.937 5.344 47 HB2 ARG 9 HB2 ARG 9 9.903 -7.395 4.170 48 HB3 ARG 9 HB3 ARG 9 10.755 -8.332 5.390 49 HG2 ARG 9 HG2 ARG 9 11.275 -9.845 3.164 50 HG3 ARG 9 HG3 ARG 9 11.112 -8.255 2.423 51 HD2 ARG 9 HD2 ARG 9 12.980 -9.039 4.700 52 HD3 ARG 9 HD3 ARG 9 13.429 -8.870 2.997 53 HE ARG 9 HE ARG 9 12.268 -6.439 4.113 54 HH11 ARG 9 HH11 ARG 9 15.355 -8.303 4.043 55 HH12 ARG 9 HH12 ARG 9 16.302 -6.851 4.251 56 HH21 ARG 9 HH21 ARG 9 13.599 -4.672 4.059 57 HH22 ARG 9 HH22 ARG 9 15.345 -4.807 4.340 58 H ARG 10 H ARG 10 9.614 -10.489 2.368 59 HA ARG 10 HA ARG 10 7.842 -9.200 0.571 60 HB2 ARG 10 HB2 ARG 10 9.065 -11.985 0.295 61 HB3 ARG 10 HB3 ARG 10 8.456 -10.989 -1.018 62 HG2 ARG 10 HG2 ARG 10 10.769 -10.081 0.765 63 HG3 ARG 10 HG3 ARG 10 10.997 -11.087 -0.642 64 HD2 ARG 10 HD2 ARG 10 9.438 -8.530 -0.953 65 HD3 ARG 10 HD3 ARG 10 11.187 -8.437 -0.787 66 HE ARG 10 HE ARG 10 9.691 -9.406 -3.072 67 HH11 ARG 10 HH11 ARG 10 12.838 -9.687 -1.420 68 HH12 ARG 10 HH12 ARG 10 13.565 -10.635 -2.675 69 HH21 ARG 10 HH21 ARG 10 10.639 -10.391 -4.727 70 HH22 ARG 10 HH22 ARG 10 12.273 -11.019 -4.685 71 H LEU 11 H LEU 11 7.455 -12.298 2.455 72 HA LEU 11 HA LEU 11 5.041 -13.107 1.196 73 HB2 LEU 11 HB2 LEU 11 6.413 -13.668 3.840 74 HB3 LEU 11 HB3 LEU 11 4.740 -14.154 3.624 75 HG LEU 11 HG LEU 11 5.294 -15.424 1.641 76 HD11 LEU 11 HD11 LEU 11 8.151 -14.587 2.100 77 HD12 LEU 11 HD12 LEU 11 7.153 -14.297 0.672 78 HD13 LEU 11 HD13 LEU 11 7.661 -15.940 1.043 79 HD21 LEU 11 HD21 LEU 11 5.342 -16.529 3.815 80 HD22 LEU 11 HD22 LEU 11 7.039 -16.093 4.049 81 HD23 LEU 11 HD23 LEU 11 6.572 -17.248 2.768 82 H SER 12 H SER 12 5.668 -10.982 4.000 83 HA SER 12 HA SER 12 2.920 -10.576 4.661 84 HB2 SER 12 HB2 SER 12 4.932 -10.266 6.135 85 HB3 SER 12 HB3 SER 12 5.347 -8.805 5.225 86 HG SER 12 HG SER 12 3.967 -8.829 7.284 87 H ILE 13 H ILE 13 5.269 -8.435 2.931 88 HA ILE 13 HA ILE 13 3.528 -6.437 2.154 89 HB ILE 13 HB ILE 13 5.991 -7.561 0.763 90 HG12 ILE 13 HG12 ILE 13 5.710 -4.978 2.360 91 HG13 ILE 13 HG13 ILE 13 6.123 -6.510 3.116 92 HG21 ILE 13 HG21 ILE 13 4.499 -4.970 0.153 93 HG22 ILE 13 HG22 ILE 13 6.130 -5.351 -0.449 94 HG23 ILE 13 HG23 ILE 13 4.784 -6.352 -0.942 95 HD11 ILE 13 HD11 ILE 13 8.130 -6.699 1.635 96 HD12 ILE 13 HD12 ILE 13 7.760 -5.089 0.973 97 HD13 ILE 13 HD13 ILE 13 8.163 -5.276 2.689 98 H GLN 14 H GLN 14 4.235 -9.458 0.354 99 HA GLN 14 HA GLN 14 2.632 -8.970 -1.917 100 HB2 GLN 14 HB2 GLN 14 3.519 -11.495 -0.482 101 HB3 GLN 14 HB3 GLN 14 2.485 -11.595 -1.894 102 HG2 GLN 14 HG2 GLN 14 4.067 -10.363 -3.258 103 HG3 GLN 14 HG3 GLN 14 5.133 -10.081 -1.900 104 HE21 GLN 14 HE21 GLN 14 5.792 -12.139 -0.711 105 HE22 GLN 14 HE22 GLN 14 6.379 -13.476 -1.704 106 H ARG 15 H ARG 15 1.684 -10.612 1.156 107 HA ARG 15 HA ARG 15 -1.051 -11.045 0.315 108 HB2 ARG 15 HB2 ARG 15 0.288 -10.907 3.053 109 HB3 ARG 15 HB3 ARG 15 -1.430 -11.279 2.823 110 HG2 ARG 15 HG2 ARG 15 -0.946 -13.253 1.540 111 HG3 ARG 15 HG3 ARG 15 0.766 -12.845 1.438 112 HD2 ARG 15 HD2 ARG 15 0.988 -13.110 3.915 113 HD3 ARG 15 HD3 ARG 15 -0.738 -13.498 4.001 114 HE ARG 15 HE ARG 15 -0.261 -15.613 3.518 115 HH11 ARG 15 HH11 ARG 15 2.451 -13.708 2.264 116 HH12 ARG 15 HH12 ARG 15 3.174 -15.035 1.385 117 HH21 ARG 15 HH21 ARG 15 0.845 -17.439 2.538 118 HH22 ARG 15 HH22 ARG 15 2.391 -17.196 1.790 119 H ALA 16 H ALA 16 0.530 -8.438 2.217 120 HA ALA 16 HA ALA 16 -1.759 -6.970 2.842 121 HB1 ALA 16 HB1 ALA 16 0.534 -6.573 3.746 122 HB2 ALA 16 HB2 ALA 16 1.008 -5.857 2.191 123 HB3 ALA 16 HB3 ALA 16 -0.251 -5.090 3.173 124 H ILE 17 H ILE 17 0.358 -6.607 -0.059 125 HA ILE 17 HA ILE 17 -1.041 -4.544 -1.341 126 HB ILE 17 HB ILE 17 0.524 -6.883 -2.475 127 HG12 ILE 17 HG12 ILE 17 1.352 -3.954 -2.423 128 HG13 ILE 17 HG13 ILE 17 1.556 -4.964 -0.999 129 HG21 ILE 17 HG21 ILE 17 -0.860 -6.176 -4.334 130 HG22 ILE 17 HG22 ILE 17 -0.588 -4.473 -3.972 131 HG23 ILE 17 HG23 ILE 17 0.746 -5.468 -4.591 132 HD11 ILE 17 HD11 ILE 17 2.752 -5.590 -3.723 133 HD12 ILE 17 HD12 ILE 17 3.573 -4.913 -2.300 134 HD13 ILE 17 HD13 ILE 17 2.919 -6.568 -2.265 135 H GLN 18 H GLN 18 -1.569 -8.074 -1.720 136 HA GLN 18 HA GLN 18 -3.688 -7.919 -3.585 137 HB2 GLN 18 HB2 GLN 18 -2.953 -9.980 -1.508 138 HB3 GLN 18 HB3 GLN 18 -4.310 -10.199 -2.617 139 HG2 GLN 18 HG2 GLN 18 -1.722 -9.349 -3.899 140 HG3 GLN 18 HG3 GLN 18 -1.749 -10.915 -3.123 141 HE21 GLN 18 HE21 GLN 18 -2.939 -9.102 -5.933 142 HE22 GLN 18 HE22 GLN 18 -3.528 -10.519 -6.746 143 H SER 19 H SER 19 -3.809 -8.088 0.021 144 HA SER 19 HA SER 19 -6.637 -7.932 0.144 145 HB2 SER 19 HB2 SER 19 -5.048 -8.636 1.990 146 HB3 SER 19 HB3 SER 19 -4.693 -6.914 2.248 147 HG SER 19 HG SER 19 -7.155 -6.787 2.335 148 H LEU 20 H LEU 20 -4.187 -5.374 -0.213 149 HA LEU 20 HA LEU 20 -5.896 -3.204 0.563 150 HB2 LEU 20 HB2 LEU 20 -3.172 -3.494 -0.159 151 HB3 LEU 20 HB3 LEU 20 -3.813 -2.559 -1.442 152 HG LEU 20 HG LEU 20 -3.571 -1.816 1.457 153 HD11 LEU 20 HD11 LEU 20 -2.899 -0.275 -1.062 154 HD12 LEU 20 HD12 LEU 20 -1.762 -1.315 -0.205 155 HD13 LEU 20 HD13 LEU 20 -2.431 0.093 0.607 156 HD21 LEU 20 HD21 LEU 20 -5.867 -1.152 1.037 157 HD22 LEU 20 HD22 LEU 20 -5.391 -0.407 -0.509 158 HD23 LEU 20 HD23 LEU 20 -4.847 0.258 1.048 159 H VAL 21 H VAL 21 -4.820 -4.456 -2.661 160 HA VAL 21 HA VAL 21 -6.529 -2.677 -4.103 161 HB VAL 21 HB VAL 21 -6.107 -4.051 -6.066 162 HG11 VAL 21 HG11 VAL 21 -3.733 -3.397 -4.278 163 HG12 VAL 21 HG12 VAL 21 -3.586 -3.888 -5.936 164 HG13 VAL 21 HG13 VAL 21 -4.491 -2.404 -5.583 165 HG21 VAL 21 HG21 VAL 21 -6.080 -6.335 -5.105 166 HG22 VAL 21 HG22 VAL 21 -4.643 -5.978 -6.029 167 HG23 VAL 21 HG23 VAL 21 -4.560 -5.953 -4.268 168 H HIS 22 H HIS 22 -6.956 -6.026 -2.962 169 HA HIS 22 HA HIS 22 -9.444 -6.513 -4.134 170 HB2 HIS 22 HB2 HIS 22 -8.256 -8.333 -3.071 171 HB3 HIS 22 HB3 HIS 22 -8.230 -7.481 -1.516 172 HD1 HIS 22 HD1 HIS 22 -11.092 -8.678 -3.873 173 HD2 HIS 22 HD2 HIS 22 -10.011 -8.139 0.168 174 HE1 HIS 22 HE1 HIS 22 -13.123 -9.356 -2.465 175 H ALA 23 H ALA 23 -8.765 -5.135 -0.822 176 HA ALA 23 HA ALA 23 -11.434 -4.691 -0.126 177 HB1 ALA 23 HB1 ALA 23 -10.374 -2.837 1.315 178 HB2 ALA 23 HB2 ALA 23 -9.851 -4.516 1.572 179 HB3 ALA 23 HB3 ALA 23 -8.830 -3.360 0.650 180 H ALA 24 H ALA 24 -9.284 -2.674 -2.124 181 HA ALA 24 HA ALA 24 -10.864 -0.327 -2.028 182 HB1 ALA 24 HB1 ALA 24 -8.525 -0.260 -2.689 183 HB2 ALA 24 HB2 ALA 24 -8.851 -1.321 -4.066 184 HB3 ALA 24 HB3 ALA 24 -9.509 0.340 -4.022 185 H GLN 25 H GLN 25 -11.203 -3.233 -4.007 186 HA GLN 25 HA GLN 25 -13.572 -2.010 -5.338 187 HB2 GLN 25 HB2 GLN 25 -13.277 -3.705 -7.069 188 HB3 GLN 25 HB3 GLN 25 -11.895 -2.622 -6.927 189 HG2 GLN 25 HG2 GLN 25 -10.560 -4.314 -5.868 190 HG3 GLN 25 HG3 GLN 25 -11.947 -5.372 -5.624 191 HE21 GLN 25 HE21 GLN 25 -10.545 -7.037 -6.759 192 HE22 GLN 25 HE22 GLN 25 -10.456 -7.022 -8.497 193 H CYS 26 H CYS 26 -12.794 -4.166 -2.890 194 HA CYS 26 HA CYS 26 -14.648 -6.231 -3.172 195 HB2 CYS 26 HB2 CYS 26 -12.786 -6.289 -1.603 196 HB3 CYS 26 HB3 CYS 26 -13.515 -4.974 -0.664 197 H ARG 27 H ARG 27 -16.640 -6.001 -3.501 198 HA ARG 27 HA ARG 27 -18.353 -4.214 -1.830 199 HB2 ARG 27 HB2 ARG 27 -18.628 -5.018 -4.746 200 HB3 ARG 27 HB3 ARG 27 -19.946 -4.258 -3.837 201 HG2 ARG 27 HG2 ARG 27 -17.178 -3.050 -4.162 202 HG3 ARG 27 HG3 ARG 27 -18.523 -2.694 -5.254 203 HD2 ARG 27 HD2 ARG 27 -19.806 -1.675 -3.499 204 HD3 ARG 27 HD3 ARG 27 -18.725 -2.278 -2.241 205 HE ARG 27 HE ARG 27 -17.182 -0.681 -3.981 206 HH11 ARG 27 HH11 ARG 27 -19.592 -0.483 -1.361 207 HH12 ARG 27 HH12 ARG 27 -19.257 1.148 -0.979 208 HH21 ARG 27 HH21 ARG 27 -16.636 1.440 -3.398 209 HH22 ARG 27 HH22 ARG 27 -17.612 2.310 -2.239 210 H ASN 28 H ASN 28 -17.447 -7.311 -2.425 211 HA ASN 28 HA ASN 28 -19.985 -8.700 -2.088 212 HB2 ASN 28 HB2 ASN 28 -17.097 -9.630 -1.805 213 HB3 ASN 28 HB3 ASN 28 -18.498 -10.668 -1.551 214 HD21 ASN 28 HD21 ASN 28 -19.967 -11.146 -3.470 215 HD22 ASN 28 HD22 ASN 28 -19.398 -10.826 -5.057 216 H ALA 29 H ALA 29 -21.014 -7.903 -0.238 217 HA ALA 29 HA ALA 29 -19.718 -7.182 2.185 218 HB1 ALA 29 HB1 ALA 29 -21.989 -6.448 1.706 219 HB2 ALA 29 HB2 ALA 29 -22.558 -8.125 1.640 220 HB3 ALA 29 HB3 ALA 29 -22.017 -7.434 3.180 221 H ASN 30 H ASN 30 -20.536 -10.337 0.955 222 HA ASN 30 HA ASN 30 -20.632 -11.786 3.421 223 HB2 ASN 30 HB2 ASN 30 -21.459 -12.812 1.396 224 HB3 ASN 30 HB3 ASN 30 -19.921 -12.567 0.569 225 HD21 ASN 30 HD21 ASN 30 -21.302 -14.304 3.463 226 HD22 ASN 30 HD22 ASN 30 -20.190 -15.628 3.358 227 H CYS 31 H CYS 31 -17.954 -10.858 1.250 228 HA CYS 31 HA CYS 31 -15.855 -12.291 2.323 229 HB2 CYS 31 HB2 CYS 31 -15.754 -10.969 0.212 230 HB3 CYS 31 HB3 CYS 31 -15.837 -9.480 1.165 231 H SER 32 H SER 32 -15.238 -12.423 4.351 232 HA SER 32 HA SER 32 -14.874 -9.958 5.982 233 HB2 SER 32 HB2 SER 32 -16.192 -12.537 6.929 234 HB3 SER 32 HB3 SER 32 -15.873 -11.079 7.894 235 HG SER 32 HG SER 32 -17.614 -11.366 5.655 236 H LEU 33 H LEU 33 -12.729 -9.950 5.899 237 HA LEU 33 HA LEU 33 -11.107 -12.179 6.970 238 HB2 LEU 33 HB2 LEU 33 -10.671 -10.574 4.412 239 HB3 LEU 33 HB3 LEU 33 -9.315 -11.125 5.374 240 HG LEU 33 HG LEU 33 -10.040 -13.489 5.052 241 HD11 LEU 33 HD11 LEU 33 -11.525 -13.930 3.050 242 HD12 LEU 33 HD12 LEU 33 -12.033 -12.228 3.117 243 HD13 LEU 33 HD13 LEU 33 -12.384 -13.333 4.462 244 HD21 LEU 33 HD21 LEU 33 -8.303 -12.345 3.661 245 HD22 LEU 33 HD22 LEU 33 -9.563 -11.860 2.509 246 HD23 LEU 33 HD23 LEU 33 -9.185 -13.579 2.751 247 HA PRO 34 HA PRO 34 -10.073 -8.661 9.494 248 HB2 PRO 34 HB2 PRO 34 -7.420 -9.019 10.161 249 HB3 PRO 34 HB3 PRO 34 -8.815 -9.890 10.864 250 HG2 PRO 34 HG2 PRO 34 -7.008 -10.807 8.599 251 HG3 PRO 34 HG3 PRO 34 -7.495 -11.717 10.060 252 HD2 PRO 34 HD2 PRO 34 -8.806 -12.062 7.715 253 HD3 PRO 34 HD3 PRO 34 -9.723 -11.985 9.249 254 H SER 35 H SER 35 -7.488 -9.406 7.078 255 HA SER 35 HA SER 35 -6.586 -6.721 6.903 256 HB2 SER 35 HB2 SER 35 -6.341 -8.962 4.921 257 HB3 SER 35 HB3 SER 35 -5.373 -7.471 4.962 258 HG SER 35 HG SER 35 -4.274 -9.118 5.976 259 H CYS 36 H CYS 36 -9.128 -8.532 5.056 260 HA CYS 36 HA CYS 36 -9.582 -6.437 3.195 261 HB2 CYS 36 HB2 CYS 36 -10.377 -8.819 3.002 262 HB3 CYS 36 HB3 CYS 36 -11.598 -8.472 4.249 263 H GLN 37 H GLN 37 -11.473 -7.232 6.215 264 HA GLN 37 HA GLN 37 -13.058 -4.961 6.085 265 HB2 GLN 37 HB2 GLN 37 -13.770 -5.426 8.323 266 HB3 GLN 37 HB3 GLN 37 -13.571 -6.919 7.421 267 HG2 GLN 37 HG2 GLN 37 -11.273 -7.087 8.552 268 HG3 GLN 37 HG3 GLN 37 -11.819 -5.830 9.644 269 HE21 GLN 37 HE21 GLN 37 -13.599 -6.398 11.172 270 HE22 GLN 37 HE22 GLN 37 -13.985 -8.093 11.432 271 H LYS 38 H LYS 38 -9.804 -5.197 7.649 272 HA LYS 38 HA LYS 38 -10.031 -2.479 8.623 273 HB2 LYS 38 HB2 LYS 38 -7.833 -2.648 9.393 274 HB3 LYS 38 HB3 LYS 38 -8.651 -4.167 9.740 275 HG2 LYS 38 HG2 LYS 38 -7.494 -4.945 7.525 276 HG3 LYS 38 HG3 LYS 38 -6.436 -3.578 7.747 277 HD2 LYS 38 HD2 LYS 38 -6.876 -5.683 9.925 278 HD3 LYS 38 HD3 LYS 38 -5.660 -5.886 8.652 279 HE2 LYS 38 HE2 LYS 38 -4.489 -3.889 9.320 280 HE3 LYS 38 HE3 LYS 38 -5.787 -3.410 10.422 281 HZ1 LYS 38 HZ1 LYS 38 -3.984 -5.730 10.835 282 HZ2 LYS 38 HZ2 LYS 38 -5.196 -5.187 11.862 283 HZ3 LYS 38 HZ3 LYS 38 -3.910 -4.266 11.570 284 H MET 39 H MET 39 -8.558 -3.865 5.615 285 HA MET 39 HA MET 39 -7.292 -1.439 4.814 286 HB2 MET 39 HB2 MET 39 -8.325 -3.824 3.237 287 HB3 MET 39 HB3 MET 39 -7.507 -2.457 2.481 288 HG2 MET 39 HG2 MET 39 -6.268 -4.292 4.551 289 HG3 MET 39 HG3 MET 39 -6.019 -4.334 2.813 290 HE1 MET 39 HE1 MET 39 -3.622 -4.647 3.872 291 HE2 MET 39 HE2 MET 39 -3.646 -3.887 2.271 292 HE3 MET 39 HE3 MET 39 -2.563 -3.264 3.536 293 H LYS 40 H LYS 40 -10.635 -2.691 4.323 294 HA LYS 40 HA LYS 40 -11.418 -0.818 2.440 295 HB2 LYS 40 HB2 LYS 40 -13.030 -2.232 4.583 296 HB3 LYS 40 HB3 LYS 40 -13.755 -1.201 3.319 297 HG2 LYS 40 HG2 LYS 40 -12.802 -2.536 1.546 298 HG3 LYS 40 HG3 LYS 40 -11.874 -3.492 2.680 299 HD2 LYS 40 HD2 LYS 40 -13.571 -4.877 2.004 300 HD3 LYS 40 HD3 LYS 40 -13.998 -4.386 3.648 301 HE2 LYS 40 HE2 LYS 40 -14.966 -2.660 1.369 302 HE3 LYS 40 HE3 LYS 40 -15.621 -4.289 1.425 303 HZ1 LYS 40 HZ1 LYS 40 -15.697 -2.456 3.760 304 HZ2 LYS 40 HZ2 LYS 40 -16.532 -3.876 3.547 305 HZ3 LYS 40 HZ3 LYS 40 -16.898 -2.546 2.652 306 H ARG 41 H ARG 41 -10.895 -0.280 5.874 307 HA ARG 41 HA ARG 41 -12.304 2.216 6.081 308 HB2 ARG 41 HB2 ARG 41 -9.779 1.333 7.563 309 HB3 ARG 41 HB3 ARG 41 -10.854 2.648 8.015 310 HG2 ARG 41 HG2 ARG 41 -12.644 1.074 8.534 311 HG3 ARG 41 HG3 ARG 41 -11.636 -0.302 8.013 312 HD2 ARG 41 HD2 ARG 41 -9.947 0.229 9.698 313 HD3 ARG 41 HD3 ARG 41 -10.809 1.695 10.163 314 HE ARG 41 HE ARG 41 -11.232 -0.974 11.072 315 HH11 ARG 41 HH11 ARG 41 -12.743 2.214 10.770 316 HH12 ARG 41 HH12 ARG 41 -14.096 1.863 11.767 317 HH21 ARG 41 HH21 ARG 41 -13.002 -1.443 12.520 318 HH22 ARG 41 HH22 ARG 41 -14.334 -0.323 12.627 319 H VAL 42 H VAL 42 -8.763 1.491 5.495 320 HA VAL 42 HA VAL 42 -8.097 4.177 5.285 321 HB VAL 42 HB VAL 42 -6.022 3.614 4.375 322 HG11 VAL 42 HG11 VAL 42 -5.223 2.102 6.089 323 HG12 VAL 42 HG12 VAL 42 -6.458 3.174 6.766 324 HG13 VAL 42 HG13 VAL 42 -6.854 1.480 6.375 325 HG21 VAL 42 HG21 VAL 42 -5.216 1.495 3.668 326 HG22 VAL 42 HG22 VAL 42 -6.739 0.693 4.019 327 HG23 VAL 42 HG23 VAL 42 -6.631 1.848 2.669 328 H VAL 43 H VAL 43 -9.192 2.039 2.555 329 HA VAL 43 HA VAL 43 -8.675 4.112 0.699 330 HB VAL 43 HB VAL 43 -8.824 1.768 0.149 331 HG11 VAL 43 HG11 VAL 43 -10.967 0.616 -0.162 332 HG12 VAL 43 HG12 VAL 43 -10.726 1.085 1.502 333 HG13 VAL 43 HG13 VAL 43 -11.845 2.020 0.475 334 HG21 VAL 43 HG21 VAL 43 -8.954 3.421 -1.622 335 HG22 VAL 43 HG22 VAL 43 -9.908 1.986 -2.021 336 HG23 VAL 43 HG23 VAL 43 -10.716 3.472 -1.496 337 H GLN 44 H GLN 44 -11.440 3.541 2.840 338 HA GLN 44 HA GLN 44 -13.195 5.387 1.466 339 HB2 GLN 44 HB2 GLN 44 -14.103 3.624 2.919 340 HB3 GLN 44 HB3 GLN 44 -13.199 4.231 4.298 341 HG2 GLN 44 HG2 GLN 44 -15.530 4.858 4.498 342 HG3 GLN 44 HG3 GLN 44 -14.540 6.297 4.296 343 HE21 GLN 44 HE21 GLN 44 -16.957 4.211 2.745 344 HE22 GLN 44 HE22 GLN 44 -17.338 5.338 1.473 345 H HIS 45 H HIS 45 -10.884 5.527 4.200 346 HA HIS 45 HA HIS 45 -11.346 8.212 4.943 347 HB2 HIS 45 HB2 HIS 45 -10.293 6.700 6.428 348 HB3 HIS 45 HB3 HIS 45 -9.119 6.193 5.243 349 HD1 HIS 45 HD1 HIS 45 -9.739 9.053 7.695 350 HD2 HIS 45 HD2 HIS 45 -6.985 7.667 4.808 351 HE1 HIS 45 HE1 HIS 45 -7.626 10.464 7.948 352 H THR 46 H THR 46 -8.648 6.835 2.832 353 HA THR 46 HA THR 46 -7.671 9.321 2.093 354 HB THR 46 HB THR 46 -6.569 8.101 0.233 355 HG1 THR 46 HG1 THR 46 -8.058 6.573 -0.338 356 HG21 THR 46 HG21 THR 46 -5.210 6.694 1.655 357 HG22 THR 46 HG22 THR 46 -6.507 6.542 2.848 358 HG23 THR 46 HG23 THR 46 -5.695 8.101 2.594 359 H LYS 47 H LYS 47 -10.507 7.699 0.804 360 HA LYS 47 HA LYS 47 -10.695 9.083 -1.700 361 HB2 LYS 47 HB2 LYS 47 -12.004 7.192 -1.501 362 HB3 LYS 47 HB3 LYS 47 -12.519 7.572 0.133 363 HG2 LYS 47 HG2 LYS 47 -14.036 9.298 -0.649 364 HG3 LYS 47 HG3 LYS 47 -13.568 8.996 -2.331 365 HD2 LYS 47 HD2 LYS 47 -14.701 6.860 -0.474 366 HD3 LYS 47 HD3 LYS 47 -15.726 7.902 -1.465 367 HE2 LYS 47 HE2 LYS 47 -14.801 7.043 -3.518 368 HE3 LYS 47 HE3 LYS 47 -13.526 6.166 -2.650 369 HZ1 LYS 47 HZ1 LYS 47 -16.399 5.601 -2.329 370 HZ2 LYS 47 HZ2 LYS 47 -15.135 4.753 -1.682 371 HZ3 LYS 47 HZ3 LYS 47 -15.381 4.721 -3.292 372 H GLY 48 H GLY 48 -11.237 10.159 1.602 373 HA2 GLY 48 HA2 GLY 48 -12.556 12.659 0.622 374 HA3 GLY 48 HA3 GLY 48 -12.557 12.033 2.269 375 H CYS 49 H CYS 49 -9.516 11.479 1.943 376 HA CYS 49 HA CYS 49 -8.601 13.846 3.176 377 HB2 CYS 49 HB2 CYS 49 -7.039 11.515 2.000 378 HB3 CYS 49 HB3 CYS 49 -6.368 12.740 3.004 379 H LYS 50 H LYS 50 -9.363 15.323 1.333 380 HA LYS 50 HA LYS 50 -7.393 15.662 -0.837 381 HB2 LYS 50 HB2 LYS 50 -9.527 17.599 0.145 382 HB3 LYS 50 HB3 LYS 50 -8.669 17.709 -1.385 383 HG2 LYS 50 HG2 LYS 50 -10.657 15.543 -0.586 384 HG3 LYS 50 HG3 LYS 50 -10.929 16.853 -1.729 385 HD2 LYS 50 HD2 LYS 50 -9.109 15.961 -3.175 386 HD3 LYS 50 HD3 LYS 50 -8.910 14.602 -2.096 387 HE2 LYS 50 HE2 LYS 50 -11.377 15.309 -3.731 388 HE3 LYS 50 HE3 LYS 50 -10.272 13.953 -4.004 389 HZ1 LYS 50 HZ1 LYS 50 -12.201 14.301 -1.808 390 HZ2 LYS 50 HZ2 LYS 50 -11.007 13.150 -1.760 391 HZ3 LYS 50 HZ3 LYS 50 -12.155 13.091 -2.906 392 H ARG 51 H ARG 51 -7.592 16.722 2.447 393 HA ARG 51 HA ARG 51 -6.087 19.100 2.299 394 HB2 ARG 51 HB2 ARG 51 -5.969 19.021 4.627 395 HB3 ARG 51 HB3 ARG 51 -7.519 18.318 4.205 396 HG2 ARG 51 HG2 ARG 51 -6.523 16.023 4.593 397 HG3 ARG 51 HG3 ARG 51 -5.005 16.802 5.060 398 HD2 ARG 51 HD2 ARG 51 -6.162 16.284 7.093 399 HD3 ARG 51 HD3 ARG 51 -6.188 18.022 6.878 400 HE ARG 51 HE ARG 51 -8.467 17.995 6.681 401 HH11 ARG 51 HH11 ARG 51 -7.392 14.573 6.404 402 HH12 ARG 51 HH12 ARG 51 -9.007 13.956 6.424 403 HH21 ARG 51 HH21 ARG 51 -10.524 17.166 6.654 404 HH22 ARG 51 HH22 ARG 51 -10.847 15.481 6.450 405 H LYS 52 H LYS 52 -4.976 15.840 2.047 406 HA LYS 52 HA LYS 52 -2.388 15.948 3.008 407 HB2 LYS 52 HB2 LYS 52 -1.992 13.998 1.642 408 HB3 LYS 52 HB3 LYS 52 -3.663 13.933 2.229 409 HG2 LYS 52 HG2 LYS 52 -4.349 15.021 -0.008 410 HG3 LYS 52 HG3 LYS 52 -2.673 14.771 -0.501 411 HD2 LYS 52 HD2 LYS 52 -2.936 12.334 -0.245 412 HD3 LYS 52 HD3 LYS 52 -4.611 12.573 0.319 413 HE2 LYS 52 HE2 LYS 52 -4.537 11.965 -2.091 414 HE3 LYS 52 HE3 LYS 52 -5.240 13.560 -1.817 415 HZ1 LYS 52 HZ1 LYS 52 -2.537 12.984 -2.900 416 HZ2 LYS 52 HZ2 LYS 52 -2.989 14.469 -2.434 417 HZ3 LYS 52 HZ3 LYS 52 -3.803 13.744 -3.646 418 H THR 53 H THR 53 -3.499 17.854 0.329 419 HA THR 53 HA THR 53 -1.119 17.971 -1.186 420 HB THR 53 HB THR 53 -2.098 20.249 -1.772 421 HG1 THR 53 HG1 THR 53 -3.978 20.848 -0.948 422 HG21 THR 53 HG21 THR 53 -2.680 18.307 -3.119 423 HG22 THR 53 HG22 THR 53 -4.117 19.315 -2.898 424 HG23 THR 53 HG23 THR 53 -3.935 17.820 -1.961 425 H ASN 54 H ASN 54 -2.098 19.498 1.858 426 HA ASN 54 HA ASN 54 0.567 20.862 1.980 427 HB2 ASN 54 HB2 ASN 54 -2.104 21.819 3.034 428 HB3 ASN 54 HB3 ASN 54 -0.545 22.541 3.448 429 HD21 ASN 54 HD21 ASN 54 -2.941 23.616 1.855 430 HD22 ASN 54 HD22 ASN 54 -2.196 24.202 0.376 431 H GLY 55 H GLY 55 -2.043 19.498 4.178 432 HA2 GLY 55 HA2 GLY 55 0.169 18.317 5.778 433 HA3 GLY 55 HA3 GLY 55 -0.921 19.469 6.547 434 H GLY 56 H GLY 56 -0.715 16.306 4.926 435 HA2 GLY 56 HA2 GLY 56 -3.373 15.515 6.020 436 HA3 GLY 56 HA3 GLY 56 -2.575 14.781 4.624 437 H CYS 57 H CYS 57 -3.496 13.294 6.586 438 HA CYS 57 HA CYS 57 -1.725 12.584 8.694 439 HB2 CYS 57 HB2 CYS 57 -3.276 10.492 8.614 440 HB3 CYS 57 HB3 CYS 57 -4.009 12.052 8.923 441 HA PRO 58 HA PRO 58 1.223 9.966 6.722 442 HB2 PRO 58 HB2 PRO 58 1.407 7.709 8.300 443 HB3 PRO 58 HB3 PRO 58 2.053 9.314 8.745 444 HG2 PRO 58 HG2 PRO 58 -0.592 8.069 9.562 445 HG3 PRO 58 HG3 PRO 58 0.606 8.902 10.604 446 HD2 PRO 58 HD2 PRO 58 -1.566 10.197 9.701 447 HD3 PRO 58 HD3 PRO 58 0.011 11.021 9.768 448 H ILE 59 H ILE 59 -1.888 8.457 7.423 449 HA ILE 59 HA ILE 59 -1.753 6.099 5.986 450 HB ILE 59 HB ILE 59 -4.054 8.033 6.462 451 HG12 ILE 59 HG12 ILE 59 -3.388 5.382 7.823 452 HG13 ILE 59 HG13 ILE 59 -2.854 6.938 8.436 453 HG21 ILE 59 HG21 ILE 59 -5.506 5.920 5.989 454 HG22 ILE 59 HG22 ILE 59 -4.814 6.785 4.610 455 HG23 ILE 59 HG23 ILE 59 -4.068 5.296 5.155 456 HD11 ILE 59 HD11 ILE 59 -4.782 6.324 9.646 457 HD12 ILE 59 HD12 ILE 59 -5.228 7.690 8.605 458 HD13 ILE 59 HD13 ILE 59 -5.734 6.032 8.182 459 H CYS 60 H CYS 60 -2.757 9.329 4.651 460 HA CYS 60 HA CYS 60 -3.264 8.444 2.069 461 HB2 CYS 60 HB2 CYS 60 -2.227 11.136 3.058 462 HB3 CYS 60 HB3 CYS 60 -2.969 10.822 1.477 463 H LYS 61 H LYS 61 -0.103 9.409 3.468 464 HA LYS 61 HA LYS 61 1.159 9.143 0.823 465 HB2 LYS 61 HB2 LYS 61 3.271 9.585 1.836 466 HB3 LYS 61 HB3 LYS 61 2.082 10.786 2.311 467 HG2 LYS 61 HG2 LYS 61 1.907 9.841 4.538 468 HG3 LYS 61 HG3 LYS 61 2.992 8.496 4.093 469 HD2 LYS 61 HD2 LYS 61 4.772 10.184 3.575 470 HD3 LYS 61 HD3 LYS 61 3.694 11.462 4.165 471 HE2 LYS 61 HE2 LYS 61 3.661 10.505 6.394 472 HE3 LYS 61 HE3 LYS 61 4.516 9.055 5.835 473 HZ1 LYS 61 HZ1 LYS 61 6.429 10.429 5.337 474 HZ2 LYS 61 HZ2 LYS 61 6.010 10.521 6.926 475 HZ3 LYS 61 HZ3 LYS 61 5.649 11.776 5.907 476 H GLN 62 H GLN 62 0.871 7.119 3.754 477 HA GLN 62 HA GLN 62 2.621 5.065 2.826 478 HB2 GLN 62 HB2 GLN 62 0.250 4.946 4.748 479 HB3 GLN 62 HB3 GLN 62 1.313 3.598 4.408 480 HG2 GLN 62 HG2 GLN 62 1.987 6.162 5.853 481 HG3 GLN 62 HG3 GLN 62 2.071 4.523 6.460 482 HE21 GLN 62 HE21 GLN 62 3.655 3.115 4.734 483 HE22 GLN 62 HE22 GLN 62 5.155 3.888 4.390 484 H LEU 63 H LEU 63 -0.874 5.558 2.286 485 HA LEU 63 HA LEU 63 -1.439 3.082 1.085 486 HB2 LEU 63 HB2 LEU 63 -3.167 4.765 1.655 487 HB3 LEU 63 HB3 LEU 63 -2.573 5.824 0.375 488 HG LEU 63 HG LEU 63 -3.219 4.130 -1.341 489 HD11 LEU 63 HD11 LEU 63 -4.780 2.251 -0.550 490 HD12 LEU 63 HD12 LEU 63 -4.194 2.574 1.087 491 HD13 LEU 63 HD13 LEU 63 -3.061 2.053 -0.183 492 HD21 LEU 63 HD21 LEU 63 -4.847 5.885 -0.573 493 HD22 LEU 63 HD22 LEU 63 -5.570 4.666 0.491 494 HD23 LEU 63 HD23 LEU 63 -5.585 4.427 -1.269 495 H ILE 64 H ILE 64 0.057 5.958 -0.338 496 HA ILE 64 HA ILE 64 0.072 5.025 -3.067 497 HB ILE 64 HB ILE 64 1.458 7.222 -1.532 498 HG12 ILE 64 HG12 ILE 64 -0.547 7.333 -3.829 499 HG13 ILE 64 HG13 ILE 64 -0.981 7.228 -2.111 500 HG21 ILE 64 HG21 ILE 64 2.359 8.174 -3.600 501 HG22 ILE 64 HG22 ILE 64 3.080 6.599 -3.299 502 HG23 ILE 64 HG23 ILE 64 1.809 6.754 -4.518 503 HD11 ILE 64 HD11 ILE 64 -1.239 9.448 -2.732 504 HD12 ILE 64 HD12 ILE 64 0.109 9.314 -1.597 505 HD13 ILE 64 HD13 ILE 64 0.437 9.559 -3.334 506 H ALA 65 H ALA 65 2.402 4.814 -0.349 507 HA ALA 65 HA ALA 65 4.606 3.851 -1.772 508 HB1 ALA 65 HB1 ALA 65 3.797 2.997 1.046 509 HB2 ALA 65 HB2 ALA 65 5.412 2.991 0.339 510 HB3 ALA 65 HB3 ALA 65 4.601 4.531 0.649 511 H LEU 66 H LEU 66 1.959 1.903 -0.265 512 HA LEU 66 HA LEU 66 3.072 -0.494 -1.498 513 HB2 LEU 66 HB2 LEU 66 0.624 0.003 0.163 514 HB3 LEU 66 HB3 LEU 66 0.802 -1.526 -0.709 515 HG LEU 66 HG LEU 66 2.987 -0.422 1.065 516 HD11 LEU 66 HD11 LEU 66 0.931 -2.533 1.774 517 HD12 LEU 66 HD12 LEU 66 0.898 -0.832 2.320 518 HD13 LEU 66 HD13 LEU 66 2.193 -1.938 2.825 519 HD21 LEU 66 HD21 LEU 66 2.454 -3.256 0.070 520 HD22 LEU 66 HD22 LEU 66 3.788 -2.764 1.125 521 HD23 LEU 66 HD23 LEU 66 3.728 -2.203 -0.559 522 H ALA 67 H ALA 67 0.565 1.836 -2.396 523 HA ALA 67 HA ALA 67 -0.728 0.232 -4.382 524 HB1 ALA 67 HB1 ALA 67 -1.719 2.342 -3.641 525 HB2 ALA 67 HB2 ALA 67 -0.352 3.242 -4.323 526 HB3 ALA 67 HB3 ALA 67 -1.458 2.374 -5.398 527 H ALA 68 H ALA 68 2.289 2.117 -4.486 528 HA ALA 68 HA ALA 68 2.795 2.120 -7.236 529 HB1 ALA 68 HB1 ALA 68 5.157 2.275 -6.602 530 HB2 ALA 68 HB2 ALA 68 4.188 3.257 -5.457 531 HB3 ALA 68 HB3 ALA 68 4.836 1.656 -4.993 532 H TYR 69 H TYR 69 3.205 -0.443 -4.876 533 HA TYR 69 HA TYR 69 4.703 -2.221 -6.591 534 HB2 TYR 69 HB2 TYR 69 3.509 -2.376 -3.851 535 HB3 TYR 69 HB3 TYR 69 3.660 -3.881 -4.729 536 HD1 TYR 69 HD1 TYR 69 6.026 -0.961 -5.033 537 HD2 TYR 69 HD2 TYR 69 5.383 -4.927 -3.390 538 HE1 TYR 69 HE1 TYR 69 8.369 -1.135 -4.598 539 HE2 TYR 69 HE2 TYR 69 7.761 -5.078 -2.852 540 HH TYR 69 HH TYR 69 9.791 -4.036 -2.927 541 H HIS 70 H HIS 70 1.249 -1.638 -6.176 542 HA HIS 70 HA HIS 70 0.507 -4.110 -7.602 543 HB2 HIS 70 HB2 HIS 70 -1.178 -3.592 -6.131 544 HB3 HIS 70 HB3 HIS 70 -0.912 -1.862 -6.231 545 HD1 HIS 70 HD1 HIS 70 -2.889 -4.616 -8.144 546 HD2 HIS 70 HD2 HIS 70 -2.122 -0.477 -8.049 547 HE1 HIS 70 HE1 HIS 70 -4.689 -3.544 -9.525 548 H ALA 71 H ALA 71 0.907 -0.584 -8.196 549 HA ALA 71 HA ALA 71 -0.201 -0.428 -10.738 550 HB1 ALA 71 HB1 ALA 71 1.201 1.531 -11.090 551 HB2 ALA 71 HB2 ALA 71 0.602 1.513 -9.426 552 HB3 ALA 71 HB3 ALA 71 2.286 1.043 -9.763 553 H LYS 72 H LYS 72 3.157 -1.445 -9.943 554 HA LYS 72 HA LYS 72 3.839 -1.798 -12.693 555 HB2 LYS 72 HB2 LYS 72 5.814 -3.009 -11.909 556 HB3 LYS 72 HB3 LYS 72 5.579 -1.472 -11.086 557 HG2 LYS 72 HG2 LYS 72 4.809 -2.561 -9.071 558 HG3 LYS 72 HG3 LYS 72 4.730 -4.138 -9.861 559 HD2 LYS 72 HD2 LYS 72 6.998 -4.461 -9.810 560 HD3 LYS 72 HD3 LYS 72 7.369 -2.741 -10.015 561 HE2 LYS 72 HE2 LYS 72 6.617 -2.339 -7.643 562 HE3 LYS 72 HE3 LYS 72 6.474 -4.102 -7.450 563 HZ1 LYS 72 HZ1 LYS 72 8.858 -4.204 -8.067 564 HZ2 LYS 72 HZ2 LYS 72 8.600 -3.461 -6.676 565 HZ3 LYS 72 HZ3 LYS 72 8.928 -2.551 -8.020 566 H HIS 73 H HIS 73 1.544 -3.647 -11.119 567 HA HIS 73 HA HIS 73 2.093 -6.030 -12.842 568 HB2 HIS 73 HB2 HIS 73 0.689 -5.740 -10.162 569 HB3 HIS 73 HB3 HIS 73 0.788 -7.227 -11.092 570 HD1 HIS 73 HD1 HIS 73 1.892 -7.125 -8.189 571 HD2 HIS 73 HD2 HIS 73 4.109 -6.515 -11.715 572 HE1 HIS 73 HE1 HIS 73 4.339 -7.633 -7.627 573 H CYS 74 H CYS 74 -0.081 -3.413 -12.210 574 HA CYS 74 HA CYS 74 -2.525 -4.811 -12.843 575 HB2 CYS 74 HB2 CYS 74 -1.896 -2.358 -11.721 576 HB3 CYS 74 HB3 CYS 74 -2.465 -1.908 -13.346 577 H GLN 75 H GLN 75 -2.503 -5.873 -14.647 578 HA GLN 75 HA GLN 75 -1.166 -5.304 -17.072 579 HB2 GLN 75 HB2 GLN 75 -2.036 -7.522 -16.426 580 HB3 GLN 75 HB3 GLN 75 -3.701 -6.931 -16.558 581 HG2 GLN 75 HG2 GLN 75 -3.348 -6.517 -18.991 582 HG3 GLN 75 HG3 GLN 75 -1.696 -7.127 -18.854 583 HE21 GLN 75 HE21 GLN 75 -3.988 -8.151 -20.494 584 HE22 GLN 75 HE22 GLN 75 -4.211 -9.820 -19.966 585 H GLU 76 H GLU 76 -4.478 -4.492 -15.943 586 HA GLU 76 HA GLU 76 -5.198 -3.273 -18.440 587 HB2 GLU 76 HB2 GLU 76 -6.364 -3.014 -15.637 588 HB3 GLU 76 HB3 GLU 76 -7.062 -2.201 -17.032 589 HG2 GLU 76 HG2 GLU 76 -6.722 -5.228 -16.865 590 HG3 GLU 76 HG3 GLU 76 -8.175 -4.368 -16.369 591 H ASN 77 H ASN 77 -5.358 -1.096 -18.974 592 HA ASN 77 HA ASN 77 -3.301 0.639 -17.711 593 HB2 ASN 77 HB2 ASN 77 -3.338 0.057 -20.221 594 HB3 ASN 77 HB3 ASN 77 -4.805 1.040 -20.333 595 HD21 ASN 77 HD21 ASN 77 -1.290 1.122 -19.564 596 HD22 ASN 77 HD22 ASN 77 -1.161 2.864 -19.607 597 H LYS 78 H LYS 78 -6.087 0.068 -16.632 598 HA LYS 78 HA LYS 78 -6.878 2.831 -16.085 599 HB2 LYS 78 HB2 LYS 78 -9.218 2.421 -16.825 600 HB3 LYS 78 HB3 LYS 78 -8.070 2.470 -18.142 601 HG2 LYS 78 HG2 LYS 78 -8.203 0.209 -18.623 602 HG3 LYS 78 HG3 LYS 78 -8.673 -0.261 -16.996 603 HD2 LYS 78 HD2 LYS 78 -10.469 1.191 -18.949 604 HD3 LYS 78 HD3 LYS 78 -10.487 -0.553 -18.600 605 HE2 LYS 78 HE2 LYS 78 -10.793 0.137 -16.122 606 HE3 LYS 78 HE3 LYS 78 -11.248 1.732 -16.752 607 HZ1 LYS 78 HZ1 LYS 78 -13.132 0.321 -16.404 608 HZ2 LYS 78 HZ2 LYS 78 -12.523 -0.855 -17.335 609 HZ3 LYS 78 HZ3 LYS 78 -12.978 0.560 -18.057 610 H CYS 79 H CYS 79 -5.732 1.245 -14.286 611 HA CYS 79 HA CYS 79 -6.865 -0.663 -12.872 612 HB2 CYS 79 HB2 CYS 79 -5.529 1.810 -11.727 613 HB3 CYS 79 HB3 CYS 79 -5.573 0.213 -10.975 614 HA PRO 80 HA PRO 80 -10.616 0.887 -11.032 615 HB2 PRO 80 HB2 PRO 80 -11.064 -0.981 -9.068 616 HB3 PRO 80 HB3 PRO 80 -11.240 -1.340 -10.815 617 HG2 PRO 80 HG2 PRO 80 -8.847 -1.891 -9.031 618 HG3 PRO 80 HG3 PRO 80 -9.669 -2.996 -10.171 619 HD2 PRO 80 HD2 PRO 80 -7.415 -1.645 -10.877 620 HD3 PRO 80 HD3 PRO 80 -8.732 -1.907 -12.058 621 H VAL 81 H VAL 81 -7.648 0.394 -9.091 622 HA VAL 81 HA VAL 81 -8.738 1.837 -6.818 623 HB VAL 81 HB VAL 81 -5.872 0.981 -7.371 624 HG11 VAL 81 HG11 VAL 81 -7.384 1.904 -4.885 625 HG12 VAL 81 HG12 VAL 81 -5.794 1.139 -4.839 626 HG13 VAL 81 HG13 VAL 81 -5.985 2.687 -5.669 627 HG21 VAL 81 HG21 VAL 81 -8.195 -0.467 -6.068 628 HG22 VAL 81 HG22 VAL 81 -7.144 -1.045 -7.370 629 HG23 VAL 81 HG23 VAL 81 -6.500 -0.893 -5.732 630 HA PRO 82 HA PRO 82 -7.754 5.629 -9.035 631 HB2 PRO 82 HB2 PRO 82 -8.204 7.471 -6.995 632 HB3 PRO 82 HB3 PRO 82 -9.458 6.722 -8.025 633 HG2 PRO 82 HG2 PRO 82 -8.622 5.978 -5.228 634 HG3 PRO 82 HG3 PRO 82 -10.269 6.022 -5.926 635 HD2 PRO 82 HD2 PRO 82 -8.792 3.719 -5.604 636 HD3 PRO 82 HD3 PRO 82 -9.985 3.888 -6.908 637 H PHE 83 H PHE 83 -6.198 4.617 -6.062 638 HA PHE 83 HA PHE 83 -4.114 6.655 -6.191 639 HB2 PHE 83 HB2 PHE 83 -4.765 4.388 -4.343 640 HB3 PHE 83 HB3 PHE 83 -3.117 4.962 -4.442 641 HD1 PHE 83 HD1 PHE 83 -6.397 6.955 -4.557 642 HD2 PHE 83 HD2 PHE 83 -2.667 6.152 -2.585 643 HE1 PHE 83 HE1 PHE 83 -6.785 8.874 -3.065 644 HE2 PHE 83 HE2 PHE 83 -3.034 8.126 -1.091 645 HZ PHE 83 HZ PHE 83 -5.102 9.471 -1.315 646 H CYS 84 H CYS 84 -4.596 3.397 -7.513 647 HA CYS 84 HA CYS 84 -1.857 2.723 -7.955 648 HB2 CYS 84 HB2 CYS 84 -3.702 1.105 -8.210 649 HB3 CYS 84 HB3 CYS 84 -4.430 2.067 -9.497 650 H LEU 85 H LEU 85 -4.273 4.041 -10.153 651 HA LEU 85 HA LEU 85 -2.544 4.872 -12.178 652 HB2 LEU 85 HB2 LEU 85 -4.401 6.173 -13.086 653 HB3 LEU 85 HB3 LEU 85 -4.812 4.539 -12.600 654 HG LEU 85 HG LEU 85 -5.738 5.588 -10.414 655 HD11 LEU 85 HD11 LEU 85 -6.684 7.880 -10.767 656 HD12 LEU 85 HD12 LEU 85 -5.727 8.016 -12.259 657 HD13 LEU 85 HD13 LEU 85 -4.916 7.892 -10.699 658 HD21 LEU 85 HD21 LEU 85 -7.924 5.945 -11.485 659 HD22 LEU 85 HD22 LEU 85 -7.111 4.502 -12.110 660 HD23 LEU 85 HD23 LEU 85 -7.130 5.983 -13.074 661 H ASN 86 H ASN 86 -3.206 6.429 -9.132 662 HA ASN 86 HA ASN 86 -2.363 9.065 -9.797 663 HB2 ASN 86 HB2 ASN 86 -3.427 8.217 -7.572 664 HB3 ASN 86 HB3 ASN 86 -1.770 7.815 -7.101 665 HD21 ASN 86 HD21 ASN 86 -3.857 10.489 -8.239 666 HD22 ASN 86 HD22 ASN 86 -2.966 11.770 -7.466 667 H ILE 87 H ILE 87 -0.489 6.179 -8.705 668 HA ILE 87 HA ILE 87 2.089 7.442 -8.699 669 HB ILE 87 HB ILE 87 1.169 4.549 -8.975 670 HG12 ILE 87 HG12 ILE 87 2.753 4.463 -6.860 671 HG13 ILE 87 HG13 ILE 87 2.520 6.198 -6.807 672 HG21 ILE 87 HG21 ILE 87 3.524 3.803 -8.832 673 HG22 ILE 87 HG22 ILE 87 3.135 4.570 -10.353 674 HG23 ILE 87 HG23 ILE 87 4.053 5.475 -9.116 675 HD11 ILE 87 HD11 ILE 87 1.003 4.757 -5.366 676 HD12 ILE 87 HD12 ILE 87 0.141 5.889 -6.413 677 HD13 ILE 87 HD13 ILE 87 0.244 4.146 -6.828 678 H LYS 88 H LYS 88 0.129 5.915 -11.296 679 HA LYS 88 HA LYS 88 2.169 6.007 -13.273 680 HB2 LYS 88 HB2 LYS 88 -0.316 4.881 -13.196 681 HB3 LYS 88 HB3 LYS 88 -0.687 6.329 -14.136 682 HG2 LYS 88 HG2 LYS 88 -0.102 4.670 -15.735 683 HG3 LYS 88 HG3 LYS 88 1.331 5.704 -15.622 684 HD2 LYS 88 HD2 LYS 88 2.219 3.988 -13.866 685 HD3 LYS 88 HD3 LYS 88 0.881 2.961 -14.351 686 HE2 LYS 88 HE2 LYS 88 3.063 4.053 -16.209 687 HE3 LYS 88 HE3 LYS 88 3.040 2.435 -15.500 688 HZ1 LYS 88 HZ1 LYS 88 0.889 2.103 -16.664 689 HZ2 LYS 88 HZ2 LYS 88 2.179 2.229 -17.640 690 HZ3 LYS 88 HZ3 LYS 88 1.122 3.492 -17.490 691 H GLN 89 H GLN 89 -0.228 8.474 -12.303 692 HA GLN 89 HA GLN 89 0.413 10.252 -14.449 693 HB2 GLN 89 HB2 GLN 89 -0.591 10.907 -11.637 694 HB3 GLN 89 HB3 GLN 89 -0.518 12.048 -12.975 695 HG2 GLN 89 HG2 GLN 89 -2.272 9.580 -12.795 696 HG3 GLN 89 HG3 GLN 89 -2.780 11.258 -12.753 697 HE21 GLN 89 HE21 GLN 89 -2.119 12.573 -14.852 698 HE22 GLN 89 HE22 GLN 89 -2.409 11.694 -16.346 699 H LYS 90 H LYS 90 2.127 9.567 -11.438 700 HA LYS 90 HA LYS 90 3.614 11.998 -11.295 701 HB2 LYS 90 HB2 LYS 90 4.556 9.273 -10.324 702 HB3 LYS 90 HB3 LYS 90 5.143 10.850 -9.815 703 HG2 LYS 90 HG2 LYS 90 2.439 9.626 -9.250 704 HG3 LYS 90 HG3 LYS 90 3.699 10.020 -8.093 705 HD2 LYS 90 HD2 LYS 90 3.364 12.420 -8.482 706 HD3 LYS 90 HD3 LYS 90 2.128 12.076 -9.723 707 HE2 LYS 90 HE2 LYS 90 0.731 10.945 -8.060 708 HE3 LYS 90 HE3 LYS 90 1.939 11.329 -6.813 709 HZ1 LYS 90 HZ1 LYS 90 0.355 13.284 -8.367 710 HZ2 LYS 90 HZ2 LYS 90 1.593 13.685 -7.368 711 HZ3 LYS 90 HZ3 LYS 90 0.261 12.996 -6.739 712 H GLY 91 H GLY 91 4.544 8.864 -12.771 713 HA2 GLY 91 HA2 GLY 91 5.515 9.404 -15.116 714 HA3 GLY 91 HA3 GLY 91 6.768 10.246 -14.185 715 H GLY 92 H GLY 92 7.470 8.732 -12.133 716 HA2 GLY 92 HA2 GLY 92 7.435 5.990 -12.102 717 HA3 GLY 92 HA3 GLY 92 8.585 6.333 -13.391 718 H SER 93 H SER 93 8.160 8.042 -10.185 719 HA SER 93 HA SER 93 10.986 8.060 -9.714 720 HB2 SER 93 HB2 SER 93 8.677 8.632 -7.807 721 HB3 SER 93 HB3 SER 93 10.351 9.191 -7.654 722 HG SER 93 HG SER 93 9.802 10.830 -8.774 723 H GLY 94 H GLY 94 9.993 5.285 -10.003 724 HA2 GLY 94 HA2 GLY 94 10.261 3.231 -9.060 725 HA3 GLY 94 HA3 GLY 94 11.202 4.014 -7.780 726 H GLY 95 H GLY 95 7.973 5.207 -8.272 727 HA2 GLY 95 HA2 GLY 95 5.934 4.545 -7.280 728 HA3 GLY 95 HA3 GLY 95 6.818 3.610 -6.061 729 H GLY 96 H GLY 96 8.700 6.206 -6.142 730 HA2 GLY 96 HA2 GLY 96 8.062 8.539 -5.362 731 HA3 GLY 96 HA3 GLY 96 7.166 7.720 -4.080 732 H THR 97 H THR 97 9.860 5.734 -4.602 733 HA THR 97 HA THR 97 11.194 6.694 -2.207 734 HB THR 97 HB THR 97 12.592 4.653 -2.731 735 HG1 THR 97 HG1 THR 97 11.985 3.394 -4.420 736 HG21 THR 97 HG21 THR 97 9.582 4.103 -2.778 737 HG22 THR 97 HG22 THR 97 10.549 4.435 -1.318 738 HG23 THR 97 HG23 THR 97 10.866 2.987 -2.286 739 H GLY 98 H GLY 98 11.419 7.385 -5.575 740 HA2 GLY 98 HA2 GLY 98 12.903 8.969 -6.505 741 HA3 GLY 98 HA3 GLY 98 14.056 8.688 -5.193 742 H GLY 99 H GLY 99 12.995 5.643 -6.097 743 HA2 GLY 99 HA2 GLY 99 13.714 3.984 -7.497 744 HA3 GLY 99 HA3 GLY 99 14.470 5.187 -8.537 745 H GLY 100 H GLY 100 16.003 6.064 -5.857 746 HA2 GLY 100 HA2 GLY 100 17.612 4.388 -4.589 747 HA3 GLY 100 HA3 GLY 100 18.233 4.154 -6.231 748 H SER 101 H SER 101 17.733 6.530 -3.636 749 HA SER 101 HA SER 101 19.998 8.067 -4.241 750 HB2 SER 101 HB2 SER 101 18.505 9.007 -6.009 751 HB3 SER 101 HB3 SER 101 17.273 9.358 -4.787 752 HG SER 101 HG SER 101 18.447 10.976 -4.025 753 H GLY 102 H GLY 102 19.999 9.878 -2.518 754 HA2 GLY 102 HA2 GLY 102 19.740 10.596 -0.355 755 HA3 GLY 102 HA3 GLY 102 18.117 9.914 -0.363 756 H THR 103 H THR 103 20.860 7.848 -0.981 757 HA THR 103 HA THR 103 20.196 6.006 1.035 758 HB THR 103 HB THR 103 21.333 5.550 -1.081 759 HG1 THR 103 HG1 THR 103 22.721 4.025 -0.280 760 HG21 THR 103 HG21 THR 103 23.601 5.954 -1.524 761 HG22 THR 103 HG22 THR 103 23.960 6.444 0.142 762 HG23 THR 103 HG23 THR 103 23.001 7.490 -0.927 763 H ILE 104 H ILE 104 20.351 6.206 3.135 764 HA ILE 104 HA ILE 104 22.490 7.873 4.353 765 HB ILE 104 HB ILE 104 20.374 8.940 4.490 766 HG12 ILE 104 HG12 ILE 104 20.708 7.838 7.288 767 HG13 ILE 104 HG13 ILE 104 21.999 8.770 6.557 768 HG21 ILE 104 HG21 ILE 104 19.248 6.441 5.824 769 HG22 ILE 104 HG22 ILE 104 18.404 7.988 5.653 770 HG23 ILE 104 HG23 ILE 104 18.822 7.061 4.216 771 HD11 ILE 104 HD11 ILE 104 20.426 10.661 6.134 772 HD12 ILE 104 HD12 ILE 104 19.133 9.745 6.944 773 HD13 ILE 104 HD13 ILE 104 20.564 10.262 7.849 774 H GLU 105 H GLU 105 20.817 4.748 4.381 775 HA GLU 105 HA GLU 105 22.932 3.714 6.196 776 HB2 GLU 105 HB2 GLU 105 19.955 3.200 6.352 777 HB3 GLU 105 HB3 GLU 105 21.162 2.309 7.281 778 HG2 GLU 105 HG2 GLU 105 21.841 4.307 8.474 779 HG3 GLU 105 HG3 GLU 105 20.781 5.323 7.504 780 H GLY 106 H GLY 106 22.162 3.731 3.213 781 HA2 GLY 106 HA2 GLY 106 22.977 2.228 1.536 782 HA3 GLY 106 HA3 GLY 106 22.844 0.874 2.677 783 H ARG 107 H ARG 107 20.794 3.418 1.272 784 HA ARG 107 HA ARG 107 18.306 2.009 1.699 785 HB2 ARG 107 HB2 ARG 107 18.466 4.471 1.732 786 HB3 ARG 107 HB3 ARG 107 18.786 4.468 -0.008 787 HG2 ARG 107 HG2 ARG 107 16.615 3.427 -0.454 788 HG3 ARG 107 HG3 ARG 107 16.297 3.230 1.276 789 HD2 ARG 107 HD2 ARG 107 16.704 5.908 -0.077 790 HD3 ARG 107 HD3 ARG 107 15.116 5.154 0.161 791 HE ARG 107 HE ARG 107 16.002 5.116 2.694 792 HH11 ARG 107 HH11 ARG 107 15.851 7.827 0.396 793 HH12 ARG 107 HH12 ARG 107 16.308 9.002 1.608 794 HH21 ARG 107 HH21 ARG 107 16.143 6.699 4.274 795 HH22 ARG 107 HH22 ARG 107 16.435 8.369 3.827 796 H GLY 108 H GLY 108 18.131 0.075 0.600 797 HA2 GLY 108 HA2 GLY 108 17.197 -0.287 -1.838 798 HA3 GLY 108 HA3 GLY 108 18.908 -0.112 -2.239 799 H ASP 109 H ASP 109 20.042 -1.335 0.019 800 HA ASP 109 HA ASP 109 19.999 -4.107 -0.653 801 HB2 ASP 109 HB2 ASP 109 21.130 -2.537 1.679 802 HB3 ASP 109 HB3 ASP 109 21.215 -4.304 1.562 803 H GLY 110 H GLY 110 18.175 -5.187 -0.411 804 HA2 GLY 110 HA2 GLY 110 17.095 -6.515 1.547 805 HA3 GLY 110 HA3 GLY 110 16.370 -4.937 1.906 806 H GLY 111 H GLY 111 16.517 -4.251 -1.067 807 HA2 GLY 111 HA2 GLY 111 15.369 -4.564 -3.039 808 HA3 GLY 111 HA3 GLY 111 14.654 -6.049 -2.401 809 H THR 112 H THR 112 13.459 -5.060 -0.021 810 HA THR 112 HA THR 112 11.305 -3.319 -1.056 811 HB THR 112 HB THR 112 10.133 -4.466 0.978 812 HG1 THR 112 HG1 THR 112 11.872 -5.347 1.977 813 HG21 THR 112 HG21 THR 112 9.591 -6.419 -0.348 814 HG22 THR 112 HG22 THR 112 10.977 -6.123 -1.427 815 HG23 THR 112 HG23 THR 112 9.618 -4.973 -1.345 816 H THR 113 H THR 113 13.979 -2.328 0.244 817 HA THR 113 HA THR 113 13.831 -1.425 2.694 818 HB THR 113 HB THR 113 14.582 0.492 0.486 819 HG1 THR 113 HG1 THR 113 16.520 -1.194 1.401 820 HG21 THR 113 HG21 THR 113 15.716 -0.029 3.261 821 HG22 THR 113 HG22 THR 113 14.863 1.426 2.712 822 HG23 THR 113 HG23 THR 113 16.440 1.040 2.044 823 H PHE 114 H PHE 114 11.575 -0.094 0.279 824 HA PHE 114 HA PHE 114 10.830 2.266 1.604 825 HB2 PHE 114 HB2 PHE 114 8.918 2.288 0.288 826 HB3 PHE 114 HB3 PHE 114 10.105 1.443 -0.691 827 HD1 PHE 114 HD1 PHE 114 6.844 1.328 0.829 828 HD2 PHE 114 HD2 PHE 114 9.983 -1.192 -0.714 829 HE1 PHE 114 HE1 PHE 114 5.264 -0.566 0.697 830 HE2 PHE 114 HE2 PHE 114 8.397 -3.099 -0.782 831 HZ PHE 114 HZ PHE 114 6.047 -2.798 -0.090 832 H GLU 115 H GLU 115 10.303 -1.068 2.555 833 HA GLU 115 HA GLU 115 8.091 -0.853 4.246 834 HB2 GLU 115 HB2 GLU 115 8.850 -2.942 5.173 835 HB3 GLU 115 HB3 GLU 115 9.158 -2.938 3.443 836 HG2 GLU 115 HG2 GLU 115 11.577 -2.105 4.150 837 HG3 GLU 115 HG3 GLU 115 11.129 -2.735 5.740 838 H HIS 116 H HIS 116 11.330 0.449 4.631 839 HA HIS 116 HA HIS 116 11.517 0.582 7.447 840 HB2 HIS 116 HB2 HIS 116 13.233 2.058 7.173 841 HB3 HIS 116 HB3 HIS 116 13.274 1.248 5.625 842 HD1 HIS 116 HD1 HIS 116 12.359 4.682 7.221 843 HD2 HIS 116 HD2 HIS 116 12.687 2.860 3.435 844 HE1 HIS 116 HE1 HIS 116 12.459 6.536 5.550 845 H LEU 117 H LEU 117 9.499 2.391 5.213 846 HA LEU 117 HA LEU 117 8.907 4.677 6.840 847 HB2 LEU 117 HB2 LEU 117 7.607 3.275 4.545 848 HB3 LEU 117 HB3 LEU 117 6.715 4.513 5.449 849 HG LEU 117 HG LEU 117 8.703 6.074 4.919 850 HD11 LEU 117 HD11 LEU 117 9.146 4.110 2.633 851 HD12 LEU 117 HD12 LEU 117 10.184 4.196 4.058 852 HD13 LEU 117 HD13 LEU 117 10.044 5.607 2.997 853 HD21 LEU 117 HD21 LEU 117 6.924 5.006 2.669 854 HD22 LEU 117 HD22 LEU 117 7.776 6.573 2.664 855 HD23 LEU 117 HD23 LEU 117 6.489 6.264 3.831 856 H TRP 118 H TRP 118 7.837 1.237 7.039 857 HA TRP 118 HA TRP 118 5.484 1.817 8.576 858 HB2 TRP 118 HB2 TRP 118 7.092 -0.739 8.636 859 HB3 TRP 118 HB3 TRP 118 5.404 -0.520 9.065 860 HD1 TRP 118 HD1 TRP 118 7.148 -2.144 6.614 861 HE1 TRP 118 HE1 TRP 118 5.877 -2.359 4.369 862 HE3 TRP 118 HE3 TRP 118 3.508 1.351 7.318 863 HZ2 TRP 118 HZ2 TRP 118 4.130 -0.700 2.821 864 HZ3 TRP 118 HZ3 TRP 118 1.929 1.874 5.487 865 HH2 TRP 118 HH2 TRP 118 2.290 0.963 3.193 866 H SER 119 H SER 119 8.943 1.771 9.388 867 HA SER 119 HA SER 119 8.580 1.298 12.182 868 HB2 SER 119 HB2 SER 119 10.726 1.021 11.076 869 HB3 SER 119 HB3 SER 119 10.745 2.710 10.606 870 HG SER 119 HG SER 119 11.252 1.536 13.102 871 H SER 120 H SER 120 7.712 3.982 10.181 872 HA SER 120 HA SER 120 7.527 5.906 12.431 873 HB2 SER 120 HB2 SER 120 7.149 6.188 9.428 874 HB3 SER 120 HB3 SER 120 6.855 7.477 10.604 875 HG SER 120 HG SER 120 9.348 6.093 10.349 876 H LEU 121 H LEU 121 5.663 3.349 11.390 877 HA LEU 121 HA LEU 121 3.023 4.621 11.186 878 HB2 LEU 121 HB2 LEU 121 3.828 2.428 10.030 879 HB3 LEU 121 HB3 LEU 121 3.824 1.720 11.639 880 HG LEU 121 HG LEU 121 1.314 2.322 11.749 881 HD11 LEU 121 HD11 LEU 121 0.231 2.474 9.544 882 HD12 LEU 121 HD12 LEU 121 1.807 2.652 8.756 883 HD13 LEU 121 HD13 LEU 121 1.214 3.903 9.881 884 HD21 LEU 121 HD21 LEU 121 2.167 0.033 11.464 885 HD22 LEU 121 HD22 LEU 121 2.291 0.272 9.713 886 HD23 LEU 121 HD23 LEU 121 0.701 0.290 10.522 887 H GLU 122 H GLU 122 1.368 4.304 12.866 888 HA GLU 122 HA GLU 122 2.474 4.411 15.543 889 HB2 GLU 122 HB2 GLU 122 -0.396 4.318 14.492 890 HB3 GLU 122 HB3 GLU 122 0.039 4.422 16.207 891 HG2 GLU 122 HG2 GLU 122 1.382 6.503 15.675 892 HG3 GLU 122 HG3 GLU 122 0.697 6.460 14.039 893 HA PRO 123 HA PRO 123 2.359 -0.015 15.963 894 HB2 PRO 123 HB2 PRO 123 2.556 -0.350 18.680 895 HB3 PRO 123 HB3 PRO 123 3.883 0.323 17.686 896 HG2 PRO 123 HG2 PRO 123 1.755 1.864 19.207 897 HG3 PRO 123 HG3 PRO 123 3.537 2.067 19.319 898 HD2 PRO 123 HD2 PRO 123 2.055 3.652 17.698 899 HD3 PRO 123 HD3 PRO 123 3.641 3.036 17.139 900 H ASP 124 H ASP 124 -0.272 1.770 16.333 901 HA ASP 124 HA ASP 124 -2.073 0.176 17.944 902 HB2 ASP 124 HB2 ASP 124 -2.221 2.649 17.289 903 HB3 ASP 124 HB3 ASP 124 -2.704 2.117 15.680 904 H SER 125 H SER 125 -0.901 0.138 14.632 905 HA SER 125 HA SER 125 -1.225 -1.104 12.806 906 HB2 SER 125 HB2 SER 125 -1.114 -3.554 13.189 907 HB3 SER 125 HB3 SER 125 0.075 -2.594 14.072 908 HG SER 125 HG SER 125 -1.926 -2.727 15.709 909 H THR 126 H THR 126 -3.812 -0.057 14.033 910 HA THR 126 HA THR 126 -5.980 -1.677 13.632 911 HB THR 126 HB THR 126 -5.435 1.282 13.201 912 HG1 THR 126 HG1 THR 126 -6.402 -0.199 15.414 913 HG21 THR 126 HG21 THR 126 -8.128 -0.053 13.555 914 HG22 THR 126 HG22 THR 126 -7.562 0.895 12.148 915 HG23 THR 126 HG23 THR 126 -7.813 1.696 13.699 916 H TYR 127 H TYR 127 -3.955 -0.329 11.103 917 HA TYR 127 HA TYR 127 -5.823 -1.420 9.054 918 HB2 TYR 127 HB2 TYR 127 -5.071 0.592 7.710 919 HB3 TYR 127 HB3 TYR 127 -6.287 0.828 8.966 920 HD1 TYR 127 HD1 TYR 127 -2.919 1.530 7.836 921 HD2 TYR 127 HD2 TYR 127 -5.690 2.098 11.059 922 HE1 TYR 127 HE1 TYR 127 -1.517 3.410 8.697 923 HE2 TYR 127 HE2 TYR 127 -4.194 3.782 12.068 924 HH TYR 127 HH TYR 127 -2.293 5.148 11.732 925 H PHE 128 H PHE 128 -2.392 -0.312 9.591 926 HA PHE 128 HA PHE 128 -1.574 -2.341 7.574 927 HB2 PHE 128 HB2 PHE 128 -0.492 0.371 8.354 928 HB3 PHE 128 HB3 PHE 128 0.616 -0.851 7.768 929 HD1 PHE 128 HD1 PHE 128 -0.446 -2.240 5.610 930 HD2 PHE 128 HD2 PHE 128 -1.215 1.909 6.599 931 HE1 PHE 128 HE1 PHE 128 -0.997 -1.754 3.266 932 HE2 PHE 128 HE2 PHE 128 -1.578 2.397 4.235 933 HZ PHE 128 HZ PHE 128 -1.508 0.571 2.547 934 H ASP 129 H ASP 129 0.640 -3.274 8.011 935 HA ASP 129 HA ASP 129 0.637 -4.366 10.767 936 HB2 ASP 129 HB2 ASP 129 0.587 -5.986 8.888 937 HB3 ASP 129 HB3 ASP 129 2.084 -5.275 8.248 938 H LEU 130 H LEU 130 2.149 -3.681 12.143 939 HA LEU 130 HA LEU 130 4.003 -1.573 11.475 940 HB2 LEU 130 HB2 LEU 130 2.878 -1.810 13.721 941 HB3 LEU 130 HB3 LEU 130 3.743 -3.332 13.958 942 HG LEU 130 HG LEU 130 5.937 -2.016 13.741 943 HD11 LEU 130 HD11 LEU 130 5.091 -0.020 12.613 944 HD12 LEU 130 HD12 LEU 130 5.762 0.435 14.174 945 HD13 LEU 130 HD13 LEU 130 3.999 0.343 13.969 946 HD21 LEU 130 HD21 LEU 130 4.045 -1.317 16.010 947 HD22 LEU 130 HD22 LEU 130 5.821 -1.176 16.043 948 HD23 LEU 130 HD23 LEU 130 5.045 -2.758 15.883 Start of MODEL 19 1 H1 ALA 1 H ALA 1 3.571 -22.153 -12.228 2 HA ALA 1 HA ALA 1 2.919 -21.093 -10.110 3 HB1 ALA 1 HB1 ALA 1 1.194 -23.448 -10.924 4 HB2 ALA 1 HB2 ALA 1 0.687 -22.095 -9.884 5 HB3 ALA 1 HB3 ALA 1 1.126 -21.794 -11.573 6 H THR 2 H THR 2 4.596 -21.508 -8.431 7 HA THR 2 HA THR 2 3.644 -23.235 -6.364 8 HB THR 2 HB THR 2 4.680 -24.979 -7.629 9 HG1 THR 2 HG1 THR 2 6.685 -24.633 -5.789 10 HG21 THR 2 HG21 THR 2 7.235 -23.345 -7.730 11 HG22 THR 2 HG22 THR 2 6.224 -23.882 -9.089 12 HG23 THR 2 HG23 THR 2 7.102 -25.070 -8.127 13 H GLN 3 H GLN 3 4.982 -22.906 -4.375 14 HA GLN 3 HA GLN 3 6.690 -20.468 -4.372 15 HB2 GLN 3 HB2 GLN 3 4.137 -21.004 -2.829 16 HB3 GLN 3 HB3 GLN 3 5.359 -19.930 -2.167 17 HG2 GLN 3 HG2 GLN 3 5.048 -18.281 -3.757 18 HG3 GLN 3 HG3 GLN 3 4.501 -19.407 -4.993 19 HE21 GLN 3 HE21 GLN 3 2.453 -18.808 -5.553 20 HE22 GLN 3 HE22 GLN 3 1.136 -18.649 -4.391 21 H SER 4 H SER 4 7.666 -20.224 -2.086 22 HA SER 4 HA SER 4 8.181 -22.707 -0.637 23 HB2 SER 4 HB2 SER 4 9.720 -22.622 -2.690 24 HB3 SER 4 HB3 SER 4 10.376 -21.110 -2.059 25 HG SER 4 HG SER 4 11.691 -22.800 -1.424 26 HA PRO 5 HA PRO 5 8.395 -19.317 2.352 27 HB2 PRO 5 HB2 PRO 5 9.749 -20.415 4.456 28 HB3 PRO 5 HB3 PRO 5 8.093 -20.938 4.021 29 HG2 PRO 5 HG2 PRO 5 10.725 -22.261 3.275 30 HG3 PRO 5 HG3 PRO 5 9.250 -23.029 3.939 31 HD2 PRO 5 HD2 PRO 5 9.814 -23.012 1.274 32 HD3 PRO 5 HD3 PRO 5 8.138 -22.910 1.873 33 H GLY 6 H GLY 6 10.043 -17.711 3.128 34 HA2 GLY 6 HA2 GLY 6 12.787 -18.073 3.017 35 HA3 GLY 6 HA3 GLY 6 12.338 -17.572 1.386 36 H ASP 7 H ASP 7 11.822 -15.438 1.013 37 HA ASP 7 HA ASP 7 12.650 -13.470 2.980 38 HB2 ASP 7 HB2 ASP 7 11.374 -13.174 0.224 39 HB3 ASP 7 HB3 ASP 7 12.087 -11.871 1.188 40 H SER 8 H SER 8 11.080 -13.754 4.746 41 HA SER 8 HA SER 8 8.312 -13.942 4.423 42 HB2 SER 8 HB2 SER 8 9.722 -12.542 6.705 43 HB3 SER 8 HB3 SER 8 8.122 -13.310 6.730 44 HG SER 8 HG SER 8 9.960 -14.574 7.572 45 H ARG 9 H ARG 9 10.296 -10.942 4.529 46 HA ARG 9 HA ARG 9 8.177 -9.061 4.645 47 HB2 ARG 9 HB2 ARG 9 10.801 -8.948 3.080 48 HB3 ARG 9 HB3 ARG 9 9.673 -7.597 3.207 49 HG2 ARG 9 HG2 ARG 9 9.990 -7.457 5.611 50 HG3 ARG 9 HG3 ARG 9 11.096 -8.867 5.575 51 HD2 ARG 9 HD2 ARG 9 12.614 -7.684 4.106 52 HD3 ARG 9 HD3 ARG 9 11.481 -6.336 3.953 53 HE ARG 9 HE ARG 9 11.949 -6.448 6.645 54 HH11 ARG 9 HH11 ARG 9 14.262 -6.546 4.004 55 HH12 ARG 9 HH12 ARG 9 15.346 -5.403 4.734 56 HH21 ARG 9 HH21 ARG 9 13.406 -4.832 7.601 57 HH22 ARG 9 HH22 ARG 9 14.757 -4.297 6.660 58 H ARG 10 H ARG 10 9.660 -10.592 1.756 59 HA ARG 10 HA ARG 10 8.070 -9.319 -0.158 60 HB2 ARG 10 HB2 ARG 10 9.262 -12.117 -0.243 61 HB3 ARG 10 HB3 ARG 10 8.662 -11.235 -1.631 62 HG2 ARG 10 HG2 ARG 10 10.905 -10.108 0.093 63 HG3 ARG 10 HG3 ARG 10 11.203 -11.216 -1.239 64 HD2 ARG 10 HD2 ARG 10 9.672 -8.615 -1.565 65 HD3 ARG 10 HD3 ARG 10 11.409 -8.747 -1.806 66 HE ARG 10 HE ARG 10 9.270 -9.798 -3.512 67 HH11 ARG 10 HH11 ARG 10 12.774 -9.969 -2.789 68 HH12 ARG 10 HH12 ARG 10 13.168 -10.664 -4.329 69 HH21 ARG 10 HH21 ARG 10 9.877 -10.814 -5.525 70 HH22 ARG 10 HH22 ARG 10 11.562 -11.130 -5.830 71 H LEU 11 H LEU 11 7.404 -12.364 1.611 72 HA LEU 11 HA LEU 11 4.918 -12.900 0.290 73 HB2 LEU 11 HB2 LEU 11 6.100 -13.813 2.941 74 HB3 LEU 11 HB3 LEU 11 4.434 -14.167 2.501 75 HG LEU 11 HG LEU 11 5.234 -15.264 0.389 76 HD11 LEU 11 HD11 LEU 11 7.969 -15.062 1.723 77 HD12 LEU 11 HD12 LEU 11 7.499 -14.325 0.173 78 HD13 LEU 11 HD13 LEU 11 7.584 -16.075 0.321 79 HD21 LEU 11 HD21 LEU 11 5.892 -17.348 1.522 80 HD22 LEU 11 HD22 LEU 11 4.566 -16.544 2.375 81 HD23 LEU 11 HD23 LEU 11 6.219 -16.440 3.017 82 H SER 12 H SER 12 5.638 -11.260 3.448 83 HA SER 12 HA SER 12 3.011 -10.660 4.167 84 HB2 SER 12 HB2 SER 12 5.594 -9.139 4.708 85 HB3 SER 12 HB3 SER 12 4.043 -8.840 5.519 86 HG SER 12 HG SER 12 5.454 -10.273 6.663 87 H ILE 13 H ILE 13 5.294 -8.541 2.372 88 HA ILE 13 HA ILE 13 3.594 -6.430 1.838 89 HB ILE 13 HB ILE 13 5.860 -7.591 0.193 90 HG12 ILE 13 HG12 ILE 13 5.894 -5.120 1.936 91 HG13 ILE 13 HG13 ILE 13 6.282 -6.694 2.571 92 HG21 ILE 13 HG21 ILE 13 6.002 -5.398 -0.962 93 HG22 ILE 13 HG22 ILE 13 4.560 -6.300 -1.334 94 HG23 ILE 13 HG23 ILE 13 4.472 -4.933 -0.200 95 HD11 ILE 13 HD11 ILE 13 8.357 -5.628 1.904 96 HD12 ILE 13 HD12 ILE 13 8.054 -7.001 0.835 97 HD13 ILE 13 HD13 ILE 13 7.743 -5.357 0.253 98 H GLN 14 H GLN 14 4.111 -9.410 -0.209 99 HA GLN 14 HA GLN 14 2.296 -8.735 -2.277 100 HB2 GLN 14 HB2 GLN 14 3.226 -11.423 -1.208 101 HB3 GLN 14 HB3 GLN 14 1.988 -11.303 -2.451 102 HG2 GLN 14 HG2 GLN 14 3.575 -9.928 -3.842 103 HG3 GLN 14 HG3 GLN 14 4.841 -10.308 -2.672 104 HE21 GLN 14 HE21 GLN 14 5.429 -11.098 -5.178 105 HE22 GLN 14 HE22 GLN 14 5.255 -12.822 -5.337 106 H ARG 15 H ARG 15 1.640 -10.618 0.699 107 HA ARG 15 HA ARG 15 -1.166 -10.960 0.134 108 HB2 ARG 15 HB2 ARG 15 0.394 -11.046 2.740 109 HB3 ARG 15 HB3 ARG 15 -1.278 -11.577 2.594 110 HG2 ARG 15 HG2 ARG 15 1.161 -12.786 1.190 111 HG3 ARG 15 HG3 ARG 15 0.394 -13.437 2.628 112 HD2 ARG 15 HD2 ARG 15 -1.034 -12.974 0.019 113 HD3 ARG 15 HD3 ARG 15 -0.204 -14.484 0.386 114 HE ARG 15 HE ARG 15 -2.713 -13.456 1.516 115 HH11 ARG 15 HH11 ARG 15 -0.177 -15.998 1.711 116 HH12 ARG 15 HH12 ARG 15 -1.147 -17.042 2.708 117 HH21 ARG 15 HH21 ARG 15 -3.914 -14.887 2.857 118 HH22 ARG 15 HH22 ARG 15 -3.193 -16.319 3.519 119 H ALA 16 H ALA 16 0.619 -8.424 1.925 120 HA ALA 16 HA ALA 16 -1.651 -7.098 2.960 121 HB1 ALA 16 HB1 ALA 16 1.023 -5.877 2.115 122 HB2 ALA 16 HB2 ALA 16 -0.162 -5.196 3.253 123 HB3 ALA 16 HB3 ALA 16 0.711 -6.684 3.659 124 H ILE 17 H ILE 17 0.243 -6.459 -0.042 125 HA ILE 17 HA ILE 17 -1.346 -4.459 -1.132 126 HB ILE 17 HB ILE 17 0.152 -6.679 -2.589 127 HG12 ILE 17 HG12 ILE 17 1.155 -3.829 -2.334 128 HG13 ILE 17 HG13 ILE 17 1.408 -4.958 -1.022 129 HG21 ILE 17 HG21 ILE 17 -1.435 -5.511 -4.150 130 HG22 ILE 17 HG22 ILE 17 -0.679 -3.967 -3.700 131 HG23 ILE 17 HG23 ILE 17 0.262 -5.171 -4.553 132 HD11 ILE 17 HD11 ILE 17 2.278 -5.508 -3.891 133 HD12 ILE 17 HD12 ILE 17 3.315 -4.918 -2.583 134 HD13 ILE 17 HD13 ILE 17 2.576 -6.529 -2.493 135 H GLN 18 H GLN 18 -1.742 -8.033 -1.650 136 HA GLN 18 HA GLN 18 -3.973 -7.914 -3.396 137 HB2 GLN 18 HB2 GLN 18 -3.011 -9.972 -1.372 138 HB3 GLN 18 HB3 GLN 18 -4.400 -10.246 -2.421 139 HG2 GLN 18 HG2 GLN 18 -3.092 -10.166 -4.403 140 HG3 GLN 18 HG3 GLN 18 -1.677 -9.559 -3.542 141 HE21 GLN 18 HE21 GLN 18 -0.143 -11.136 -3.355 142 HE22 GLN 18 HE22 GLN 18 -0.454 -12.833 -3.032 143 H SER 19 H SER 19 -3.828 -8.079 0.180 144 HA SER 19 HA SER 19 -6.697 -8.216 0.470 145 HB2 SER 19 HB2 SER 19 -4.712 -7.223 2.555 146 HB3 SER 19 HB3 SER 19 -6.286 -7.993 2.828 147 HG SER 19 HG SER 19 -3.850 -9.106 1.880 148 H LEU 20 H LEU 20 -4.420 -5.527 0.269 149 HA LEU 20 HA LEU 20 -6.221 -3.464 1.149 150 HB2 LEU 20 HB2 LEU 20 -3.595 -3.640 1.033 151 HB3 LEU 20 HB3 LEU 20 -3.781 -3.101 -0.609 152 HG LEU 20 HG LEU 20 -4.430 -1.661 1.969 153 HD11 LEU 20 HD11 LEU 20 -2.625 -0.919 -0.359 154 HD12 LEU 20 HD12 LEU 20 -2.092 -1.769 1.097 155 HD13 LEU 20 HD13 LEU 20 -2.729 -0.131 1.231 156 HD21 LEU 20 HD21 LEU 20 -6.292 -1.088 0.522 157 HD22 LEU 20 HD22 LEU 20 -5.181 -0.685 -0.806 158 HD23 LEU 20 HD23 LEU 20 -5.216 0.281 0.686 159 H VAL 21 H VAL 21 -4.880 -4.307 -2.096 160 HA VAL 21 HA VAL 21 -6.394 -2.509 -3.587 161 HB VAL 21 HB VAL 21 -4.359 -3.826 -4.293 162 HG11 VAL 21 HG11 VAL 21 -4.522 -5.994 -5.267 163 HG12 VAL 21 HG12 VAL 21 -5.229 -6.074 -3.656 164 HG13 VAL 21 HG13 VAL 21 -6.293 -6.032 -5.062 165 HG21 VAL 21 HG21 VAL 21 -6.724 -3.550 -6.152 166 HG22 VAL 21 HG22 VAL 21 -5.222 -2.591 -6.036 167 HG23 VAL 21 HG23 VAL 21 -5.175 -4.208 -6.714 168 H HIS 22 H HIS 22 -7.250 -5.774 -2.409 169 HA HIS 22 HA HIS 22 -9.681 -5.895 -3.886 170 HB2 HIS 22 HB2 HIS 22 -8.719 -7.935 -3.069 171 HB3 HIS 22 HB3 HIS 22 -8.725 -7.335 -1.395 172 HD1 HIS 22 HD1 HIS 22 -11.588 -7.555 -4.049 173 HD2 HIS 22 HD2 HIS 22 -10.631 -8.251 -0.005 174 HE1 HIS 22 HE1 HIS 22 -13.789 -7.990 -2.842 175 H ALA 23 H ALA 23 -9.041 -4.892 -0.423 176 HA ALA 23 HA ALA 23 -11.720 -4.394 0.253 177 HB1 ALA 23 HB1 ALA 23 -10.852 -2.907 2.045 178 HB2 ALA 23 HB2 ALA 23 -9.945 -4.420 1.932 179 HB3 ALA 23 HB3 ALA 23 -9.261 -2.919 1.254 180 H ALA 24 H ALA 24 -9.489 -2.341 -1.611 181 HA ALA 24 HA ALA 24 -10.953 0.077 -1.466 182 HB1 ALA 24 HB1 ALA 24 -8.604 -0.083 -2.195 183 HB2 ALA 24 HB2 ALA 24 -9.095 -1.012 -3.625 184 HB3 ALA 24 HB3 ALA 24 -9.589 0.688 -3.454 185 H GLN 25 H GLN 25 -11.605 -2.807 -3.339 186 HA GLN 25 HA GLN 25 -13.856 -1.469 -4.727 187 HB2 GLN 25 HB2 GLN 25 -13.509 -3.085 -6.590 188 HB3 GLN 25 HB3 GLN 25 -12.279 -1.858 -6.393 189 HG2 GLN 25 HG2 GLN 25 -10.831 -3.511 -5.194 190 HG3 GLN 25 HG3 GLN 25 -12.087 -4.724 -5.386 191 HE21 GLN 25 HE21 GLN 25 -11.376 -6.151 -7.078 192 HE22 GLN 25 HE22 GLN 25 -10.520 -5.565 -8.482 193 H CYS 26 H CYS 26 -13.451 -3.192 -2.154 194 HA CYS 26 HA CYS 26 -14.914 -5.633 -2.641 195 HB2 CYS 26 HB2 CYS 26 -13.249 -5.405 -0.879 196 HB3 CYS 26 HB3 CYS 26 -14.244 -4.155 -0.086 197 H ARG 27 H ARG 27 -16.868 -5.225 -3.553 198 HA ARG 27 HA ARG 27 -18.857 -3.567 -2.023 199 HB2 ARG 27 HB2 ARG 27 -18.313 -2.854 -4.409 200 HB3 ARG 27 HB3 ARG 27 -19.039 -4.377 -4.936 201 HG2 ARG 27 HG2 ARG 27 -21.179 -3.692 -3.806 202 HG3 ARG 27 HG3 ARG 27 -20.428 -2.166 -3.342 203 HD2 ARG 27 HD2 ARG 27 -20.852 -3.111 -6.220 204 HD3 ARG 27 HD3 ARG 27 -21.942 -2.061 -5.338 205 HE ARG 27 HE ARG 27 -20.517 -0.272 -5.469 206 HH11 ARG 27 HH11 ARG 27 -18.982 -3.109 -7.013 207 HH12 ARG 27 HH12 ARG 27 -17.676 -2.132 -7.644 208 HH21 ARG 27 HH21 ARG 27 -18.926 0.930 -6.446 209 HH22 ARG 27 HH22 ARG 27 -17.626 0.181 -7.320 210 H ASN 28 H ASN 28 -17.852 -6.710 -3.039 211 HA ASN 28 HA ASN 28 -20.265 -8.173 -3.018 212 HB2 ASN 28 HB2 ASN 28 -17.388 -8.954 -2.338 213 HB3 ASN 28 HB3 ASN 28 -18.713 -10.107 -2.431 214 HD21 ASN 28 HD21 ASN 28 -19.210 -10.997 -4.473 215 HD22 ASN 28 HD22 ASN 28 -18.519 -10.399 -5.957 216 H ALA 29 H ALA 29 -21.620 -7.983 -1.316 217 HA ALA 29 HA ALA 29 -21.003 -7.225 1.304 218 HB1 ALA 29 HB1 ALA 29 -23.285 -8.943 0.239 219 HB2 ALA 29 HB2 ALA 29 -23.257 -8.117 1.805 220 HB3 ALA 29 HB3 ALA 29 -23.228 -7.165 0.310 221 H ASN 30 H ASN 30 -21.292 -10.486 -0.055 222 HA ASN 30 HA ASN 30 -21.002 -12.039 2.261 223 HB2 ASN 30 HB2 ASN 30 -21.734 -12.766 -0.016 224 HB3 ASN 30 HB3 ASN 30 -20.065 -12.656 -0.576 225 HD21 ASN 30 HD21 ASN 30 -21.895 -14.217 2.183 226 HD22 ASN 30 HD22 ASN 30 -20.939 -15.680 2.129 227 H CYS 31 H CYS 31 -18.600 -10.174 0.713 228 HA CYS 31 HA CYS 31 -16.297 -11.797 1.221 229 HB2 CYS 31 HB2 CYS 31 -16.517 -9.604 -0.269 230 HB3 CYS 31 HB3 CYS 31 -16.204 -8.773 1.239 231 H SER 32 H SER 32 -15.749 -12.457 3.280 232 HA SER 32 HA SER 32 -15.836 -10.416 5.446 233 HB2 SER 32 HB2 SER 32 -17.931 -11.676 5.522 234 HB3 SER 32 HB3 SER 32 -17.026 -13.195 5.651 235 HG SER 32 HG SER 32 -17.766 -11.946 7.651 236 H LEU 33 H LEU 33 -13.734 -10.134 5.710 237 HA LEU 33 HA LEU 33 -12.136 -12.342 6.781 238 HB2 LEU 33 HB2 LEU 33 -11.083 -10.414 4.656 239 HB3 LEU 33 HB3 LEU 33 -10.146 -11.553 5.584 240 HG LEU 33 HG LEU 33 -11.999 -13.245 4.450 241 HD11 LEU 33 HD11 LEU 33 -11.380 -11.126 2.345 242 HD12 LEU 33 HD12 LEU 33 -12.980 -11.449 3.046 243 HD13 LEU 33 HD13 LEU 33 -12.180 -12.678 2.060 244 HD21 LEU 33 HD21 LEU 33 -9.536 -13.506 4.559 245 HD22 LEU 33 HD22 LEU 33 -9.386 -12.413 3.177 246 HD23 LEU 33 HD23 LEU 33 -10.225 -13.971 3.004 247 HA PRO 34 HA PRO 34 -11.639 -8.940 9.585 248 HB2 PRO 34 HB2 PRO 34 -9.222 -9.503 10.798 249 HB3 PRO 34 HB3 PRO 34 -10.761 -10.356 11.147 250 HG2 PRO 34 HG2 PRO 34 -8.535 -11.147 9.256 251 HG3 PRO 34 HG3 PRO 34 -9.321 -12.172 10.493 252 HD2 PRO 34 HD2 PRO 34 -10.040 -12.289 7.888 253 HD3 PRO 34 HD3 PRO 34 -11.293 -12.361 9.160 254 H SER 35 H SER 35 -8.812 -9.763 7.492 255 HA SER 35 HA SER 35 -7.481 -7.281 7.653 256 HB2 SER 35 HB2 SER 35 -6.648 -8.109 5.318 257 HB3 SER 35 HB3 SER 35 -6.209 -8.980 6.784 258 HG SER 35 HG SER 35 -6.871 -10.399 5.234 259 H CYS 36 H CYS 36 -9.930 -8.570 5.400 260 HA CYS 36 HA CYS 36 -10.118 -6.341 3.696 261 HB2 CYS 36 HB2 CYS 36 -11.084 -8.715 3.420 262 HB3 CYS 36 HB3 CYS 36 -12.414 -8.199 4.472 263 H GLN 37 H GLN 37 -12.052 -7.122 6.603 264 HA GLN 37 HA GLN 37 -13.577 -4.763 6.661 265 HB2 GLN 37 HB2 GLN 37 -12.649 -6.569 8.920 266 HB3 GLN 37 HB3 GLN 37 -13.835 -5.276 9.132 267 HG2 GLN 37 HG2 GLN 37 -14.169 -7.548 7.123 268 HG3 GLN 37 HG3 GLN 37 -14.739 -7.556 8.772 269 HE21 GLN 37 HE21 GLN 37 -15.570 -6.750 5.573 270 HE22 GLN 37 HE22 GLN 37 -17.061 -5.927 5.976 271 H LYS 38 H LYS 38 -10.458 -5.371 8.419 272 HA LYS 38 HA LYS 38 -10.464 -2.680 9.481 273 HB2 LYS 38 HB2 LYS 38 -8.173 -2.920 10.134 274 HB3 LYS 38 HB3 LYS 38 -9.066 -4.377 10.543 275 HG2 LYS 38 HG2 LYS 38 -8.139 -5.493 8.565 276 HG3 LYS 38 HG3 LYS 38 -7.177 -4.070 8.164 277 HD2 LYS 38 HD2 LYS 38 -6.935 -5.536 10.830 278 HD3 LYS 38 HD3 LYS 38 -6.017 -6.011 9.390 279 HE2 LYS 38 HE2 LYS 38 -5.140 -3.690 9.212 280 HE3 LYS 38 HE3 LYS 38 -5.896 -3.300 10.774 281 HZ1 LYS 38 HZ1 LYS 38 -3.809 -5.336 10.314 282 HZ2 LYS 38 HZ2 LYS 38 -4.479 -4.936 11.794 283 HZ3 LYS 38 HZ3 LYS 38 -3.523 -3.886 10.985 284 H MET 39 H MET 39 -9.190 -3.992 6.400 285 HA MET 39 HA MET 39 -7.852 -1.634 5.612 286 HB2 MET 39 HB2 MET 39 -9.012 -3.975 4.071 287 HB3 MET 39 HB3 MET 39 -8.214 -2.617 3.281 288 HG2 MET 39 HG2 MET 39 -6.845 -4.349 5.373 289 HG3 MET 39 HG3 MET 39 -6.778 -4.603 3.627 290 HE1 MET 39 HE1 MET 39 -3.230 -3.327 3.856 291 HE2 MET 39 HE2 MET 39 -4.043 -4.487 4.933 292 HE3 MET 39 HE3 MET 39 -4.359 -4.508 3.177 293 H LYS 40 H LYS 40 -11.309 -2.632 5.363 294 HA LYS 40 HA LYS 40 -12.206 -0.839 3.472 295 HB2 LYS 40 HB2 LYS 40 -13.698 -1.287 6.098 296 HB3 LYS 40 HB3 LYS 40 -14.389 -0.699 4.609 297 HG2 LYS 40 HG2 LYS 40 -13.387 -3.460 5.167 298 HG3 LYS 40 HG3 LYS 40 -15.057 -2.974 5.030 299 HD2 LYS 40 HD2 LYS 40 -14.614 -2.462 2.583 300 HD3 LYS 40 HD3 LYS 40 -12.958 -3.067 2.875 301 HE2 LYS 40 HE2 LYS 40 -14.174 -4.867 1.897 302 HE3 LYS 40 HE3 LYS 40 -13.838 -5.253 3.577 303 HZ1 LYS 40 HZ1 LYS 40 -16.154 -4.663 4.093 304 HZ2 LYS 40 HZ2 LYS 40 -16.084 -5.821 2.930 305 HZ3 LYS 40 HZ3 LYS 40 -16.436 -4.279 2.540 306 H ARG 41 H ARG 41 -11.429 -0.186 6.811 307 HA ARG 41 HA ARG 41 -12.536 2.473 6.974 308 HB2 ARG 41 HB2 ARG 41 -10.122 1.432 8.544 309 HB3 ARG 41 HB3 ARG 41 -11.143 2.830 8.909 310 HG2 ARG 41 HG2 ARG 41 -13.091 1.169 9.042 311 HG3 ARG 41 HG3 ARG 41 -11.890 -0.123 9.049 312 HD2 ARG 41 HD2 ARG 41 -12.025 2.169 11.058 313 HD3 ARG 41 HD3 ARG 41 -12.652 0.554 11.351 314 HE ARG 41 HE ARG 41 -9.872 1.446 11.408 315 HH11 ARG 41 HH11 ARG 41 -12.021 -1.342 11.471 316 HH12 ARG 41 HH12 ARG 41 -10.832 -2.486 11.966 317 HH21 ARG 41 HH21 ARG 41 -8.325 0.114 12.194 318 HH22 ARG 41 HH22 ARG 41 -8.570 -1.559 12.519 319 H VAL 42 H VAL 42 -9.132 1.435 6.435 320 HA VAL 42 HA VAL 42 -8.317 4.123 5.922 321 HB VAL 42 HB VAL 42 -6.197 3.063 5.080 322 HG11 VAL 42 HG11 VAL 42 -7.162 2.267 7.857 323 HG12 VAL 42 HG12 VAL 42 -5.482 2.543 7.325 324 HG13 VAL 42 HG13 VAL 42 -6.628 3.883 7.379 325 HG21 VAL 42 HG21 VAL 42 -5.763 0.719 5.614 326 HG22 VAL 42 HG22 VAL 42 -7.434 0.480 6.145 327 HG23 VAL 42 HG23 VAL 42 -7.073 0.814 4.430 328 H VAL 43 H VAL 43 -9.416 1.511 3.648 329 HA VAL 43 HA VAL 43 -8.673 3.115 1.392 330 HB VAL 43 HB VAL 43 -10.117 1.628 0.060 331 HG11 VAL 43 HG11 VAL 43 -7.782 0.989 0.631 332 HG12 VAL 43 HG12 VAL 43 -8.377 0.119 2.061 333 HG13 VAL 43 HG13 VAL 43 -8.834 -0.416 0.433 334 HG21 VAL 43 HG21 VAL 43 -11.948 1.253 1.500 335 HG22 VAL 43 HG22 VAL 43 -11.202 -0.302 1.090 336 HG23 VAL 43 HG23 VAL 43 -10.897 0.455 2.662 337 H GLN 44 H GLN 44 -11.681 2.981 3.378 338 HA GLN 44 HA GLN 44 -13.209 4.686 1.709 339 HB2 GLN 44 HB2 GLN 44 -14.258 3.396 3.452 340 HB3 GLN 44 HB3 GLN 44 -13.277 4.151 4.714 341 HG2 GLN 44 HG2 GLN 44 -14.407 6.282 4.409 342 HG3 GLN 44 HG3 GLN 44 -15.250 5.681 2.973 343 HE21 GLN 44 HE21 GLN 44 -15.897 6.483 6.127 344 HE22 GLN 44 HE22 GLN 44 -17.146 5.286 6.430 345 H HIS 45 H HIS 45 -10.871 5.310 4.330 346 HA HIS 45 HA HIS 45 -11.200 8.151 4.477 347 HB2 HIS 45 HB2 HIS 45 -10.264 6.964 6.279 348 HB3 HIS 45 HB3 HIS 45 -9.081 6.160 5.271 349 HD1 HIS 45 HD1 HIS 45 -9.622 9.535 6.999 350 HD2 HIS 45 HD2 HIS 45 -6.832 7.428 4.653 351 HE1 HIS 45 HE1 HIS 45 -7.469 10.833 7.098 352 H THR 46 H THR 46 -8.527 6.228 2.871 353 HA THR 46 HA THR 46 -7.436 8.394 1.556 354 HB THR 46 HB THR 46 -6.245 6.741 0.194 355 HG1 THR 46 HG1 THR 46 -8.015 5.272 0.061 356 HG21 THR 46 HG21 THR 46 -5.589 7.295 2.572 357 HG22 THR 46 HG22 THR 46 -5.055 5.710 2.025 358 HG23 THR 46 HG23 THR 46 -6.453 5.838 3.099 359 H LYS 47 H LYS 47 -10.276 6.671 0.477 360 HA LYS 47 HA LYS 47 -10.056 7.411 -2.329 361 HB2 LYS 47 HB2 LYS 47 -12.325 6.613 -0.494 362 HB3 LYS 47 HB3 LYS 47 -12.685 7.270 -2.084 363 HG2 LYS 47 HG2 LYS 47 -11.447 5.499 -3.211 364 HG3 LYS 47 HG3 LYS 47 -10.893 4.840 -1.657 365 HD2 LYS 47 HD2 LYS 47 -13.267 4.487 -0.990 366 HD3 LYS 47 HD3 LYS 47 -13.806 5.054 -2.566 367 HE2 LYS 47 HE2 LYS 47 -12.010 2.615 -2.111 368 HE3 LYS 47 HE3 LYS 47 -13.762 2.545 -2.240 369 HZ1 LYS 47 HZ1 LYS 47 -13.525 3.492 -4.519 370 HZ2 LYS 47 HZ2 LYS 47 -12.827 1.996 -4.299 371 HZ3 LYS 47 HZ3 LYS 47 -11.893 3.287 -4.401 372 H GLY 48 H GLY 48 -11.088 9.176 0.566 373 HA2 GLY 48 HA2 GLY 48 -11.736 11.550 -1.132 374 HA3 GLY 48 HA3 GLY 48 -12.519 11.136 0.374 375 H CYS 49 H CYS 49 -8.983 10.708 0.469 376 HA CYS 49 HA CYS 49 -8.857 12.609 2.569 377 HB2 CYS 49 HB2 CYS 49 -6.727 11.125 0.995 378 HB3 CYS 49 HB3 CYS 49 -6.340 12.276 2.281 379 H LYS 50 H LYS 50 -9.441 14.653 2.139 380 HA LYS 50 HA LYS 50 -8.085 16.070 -0.068 381 HB2 LYS 50 HB2 LYS 50 -9.964 17.158 2.074 382 HB3 LYS 50 HB3 LYS 50 -9.406 18.028 0.649 383 HG2 LYS 50 HG2 LYS 50 -11.138 15.516 0.636 384 HG3 LYS 50 HG3 LYS 50 -11.691 17.154 0.355 385 HD2 LYS 50 HD2 LYS 50 -10.560 17.316 -1.737 386 HD3 LYS 50 HD3 LYS 50 -9.595 15.879 -1.432 387 HE2 LYS 50 HE2 LYS 50 -11.318 15.494 -3.114 388 HE3 LYS 50 HE3 LYS 50 -11.430 14.400 -1.742 389 HZ1 LYS 50 HZ1 LYS 50 -13.126 16.813 -1.904 390 HZ2 LYS 50 HZ2 LYS 50 -13.330 15.438 -0.996 391 HZ3 LYS 50 HZ3 LYS 50 -13.531 15.388 -2.617 392 H ARG 51 H ARG 51 -7.390 15.334 3.189 393 HA ARG 51 HA ARG 51 -5.763 17.522 3.897 394 HB2 ARG 51 HB2 ARG 51 -6.439 15.811 5.501 395 HB3 ARG 51 HB3 ARG 51 -5.450 14.600 4.678 396 HG2 ARG 51 HG2 ARG 51 -3.396 15.829 5.284 397 HG3 ARG 51 HG3 ARG 51 -4.359 17.128 6.020 398 HD2 ARG 51 HD2 ARG 51 -5.182 15.554 7.711 399 HD3 ARG 51 HD3 ARG 51 -4.323 14.218 6.919 400 HE ARG 51 HE ARG 51 -2.196 15.308 7.426 401 HH11 ARG 51 HH11 ARG 51 -4.969 15.943 9.632 402 HH12 ARG 51 HH12 ARG 51 -3.896 16.089 10.978 403 HH21 ARG 51 HH21 ARG 51 -0.936 16.071 9.099 404 HH22 ARG 51 HH22 ARG 51 -1.638 16.442 10.638 405 H LYS 52 H LYS 52 -5.150 15.072 1.493 406 HA LYS 52 HA LYS 52 -2.415 14.905 1.349 407 HB2 LYS 52 HB2 LYS 52 -4.387 15.111 -0.955 408 HB3 LYS 52 HB3 LYS 52 -2.728 14.515 -1.097 409 HG2 LYS 52 HG2 LYS 52 -3.194 12.600 0.335 410 HG3 LYS 52 HG3 LYS 52 -4.766 13.237 0.774 411 HD2 LYS 52 HD2 LYS 52 -5.435 11.736 -0.830 412 HD3 LYS 52 HD3 LYS 52 -5.236 13.178 -1.836 413 HE2 LYS 52 HE2 LYS 52 -2.754 12.279 -2.094 414 HE3 LYS 52 HE3 LYS 52 -3.463 10.751 -1.523 415 HZ1 LYS 52 HZ1 LYS 52 -4.218 12.281 -3.940 416 HZ2 LYS 52 HZ2 LYS 52 -5.040 10.962 -3.422 417 HZ3 LYS 52 HZ3 LYS 52 -3.475 10.808 -3.895 418 H THR 53 H THR 53 -4.254 17.844 0.567 419 HA THR 53 HA THR 53 -1.672 19.123 -0.220 420 HB THR 53 HB THR 53 -2.995 20.763 -1.506 421 HG1 THR 53 HG1 THR 53 -5.020 20.703 -1.339 422 HG21 THR 53 HG21 THR 53 -3.324 17.871 -2.430 423 HG22 THR 53 HG22 THR 53 -1.872 18.881 -2.643 424 HG23 THR 53 HG23 THR 53 -3.384 19.320 -3.450 425 H ASN 54 H ASN 54 -4.425 19.144 1.936 426 HA ASN 54 HA ASN 54 -3.998 21.845 2.954 427 HB2 ASN 54 HB2 ASN 54 -5.524 19.565 4.245 428 HB3 ASN 54 HB3 ASN 54 -5.647 21.270 4.620 429 HD21 ASN 54 HD21 ASN 54 -7.935 19.688 4.021 430 HD22 ASN 54 HD22 ASN 54 -8.602 20.313 2.529 431 H GLY 55 H GLY 55 -2.093 19.148 3.227 432 HA2 GLY 55 HA2 GLY 55 -0.404 19.932 5.178 433 HA3 GLY 55 HA3 GLY 55 -1.588 18.910 6.040 434 H GLY 56 H GLY 56 -0.622 16.966 6.262 435 HA2 GLY 56 HA2 GLY 56 0.205 15.446 3.849 436 HA3 GLY 56 HA3 GLY 56 1.277 15.561 5.265 437 H CYS 57 H CYS 57 -1.130 13.706 3.859 438 HA CYS 57 HA CYS 57 -2.399 12.836 6.391 439 HB2 CYS 57 HB2 CYS 57 -3.570 13.324 4.055 440 HB3 CYS 57 HB3 CYS 57 -3.036 11.686 3.686 441 HA PRO 58 HA PRO 58 1.010 9.812 6.175 442 HB2 PRO 58 HB2 PRO 58 0.586 8.448 8.516 443 HB3 PRO 58 HB3 PRO 58 1.319 10.077 8.419 444 HG2 PRO 58 HG2 PRO 58 -1.572 9.362 9.001 445 HG3 PRO 58 HG3 PRO 58 -0.509 10.497 9.883 446 HD2 PRO 58 HD2 PRO 58 -2.291 11.350 8.007 447 HD3 PRO 58 HD3 PRO 58 -0.695 12.140 8.197 448 H ILE 59 H ILE 59 -2.370 8.790 6.827 449 HA ILE 59 HA ILE 59 -2.022 6.037 6.359 450 HB ILE 59 HB ILE 59 -4.464 7.723 5.808 451 HG12 ILE 59 HG12 ILE 59 -3.377 6.241 8.247 452 HG13 ILE 59 HG13 ILE 59 -3.781 7.952 8.101 453 HG21 ILE 59 HG21 ILE 59 -4.524 5.482 4.623 454 HG22 ILE 59 HG22 ILE 59 -4.266 4.700 6.194 455 HG23 ILE 59 HG23 ILE 59 -5.744 5.628 5.889 456 HD11 ILE 59 HD11 ILE 59 -5.440 6.976 9.445 457 HD12 ILE 59 HD12 ILE 59 -6.216 7.246 7.869 458 HD13 ILE 59 HD13 ILE 59 -5.672 5.615 8.346 459 H CYS 60 H CYS 60 -2.678 8.687 4.081 460 HA CYS 60 HA CYS 60 -2.772 7.208 1.712 461 HB2 CYS 60 HB2 CYS 60 -1.824 10.062 2.186 462 HB3 CYS 60 HB3 CYS 60 -2.497 9.413 0.689 463 H LYS 61 H LYS 61 0.015 8.494 3.567 464 HA LYS 61 HA LYS 61 1.947 8.123 1.433 465 HB2 LYS 61 HB2 LYS 61 2.349 8.350 4.457 466 HB3 LYS 61 HB3 LYS 61 3.640 8.130 3.291 467 HG2 LYS 61 HG2 LYS 61 2.590 10.230 2.088 468 HG3 LYS 61 HG3 LYS 61 1.810 10.512 3.638 469 HD2 LYS 61 HD2 LYS 61 3.874 11.791 3.523 470 HD3 LYS 61 HD3 LYS 61 4.024 10.555 4.765 471 HE2 LYS 61 HE2 LYS 61 6.056 10.929 3.311 472 HE3 LYS 61 HE3 LYS 61 5.527 9.253 3.446 473 HZ1 LYS 61 HZ1 LYS 61 4.789 10.949 1.135 474 HZ2 LYS 61 HZ2 LYS 61 4.738 9.294 1.254 475 HZ3 LYS 61 HZ3 LYS 61 6.155 10.063 1.187 476 H GLN 62 H GLN 62 1.106 6.134 4.331 477 HA GLN 62 HA GLN 62 2.898 4.032 3.544 478 HB2 GLN 62 HB2 GLN 62 0.407 3.457 5.115 479 HB3 GLN 62 HB3 GLN 62 1.999 2.714 5.230 480 HG2 GLN 62 HG2 GLN 62 1.239 5.493 6.213 481 HG3 GLN 62 HG3 GLN 62 1.538 4.117 7.195 482 HE21 GLN 62 HE21 GLN 62 3.764 3.224 7.284 483 HE22 GLN 62 HE22 GLN 62 5.095 4.275 6.953 484 H LEU 63 H LEU 63 -0.501 4.744 2.706 485 HA LEU 63 HA LEU 63 -1.099 2.309 1.413 486 HB2 LEU 63 HB2 LEU 63 -2.822 3.983 1.849 487 HB3 LEU 63 HB3 LEU 63 -2.008 5.159 0.809 488 HG LEU 63 HG LEU 63 -2.468 3.809 -1.191 489 HD11 LEU 63 HD11 LEU 63 -2.414 1.555 -0.363 490 HD12 LEU 63 HD12 LEU 63 -4.063 1.815 -0.899 491 HD13 LEU 63 HD13 LEU 63 -3.672 1.905 0.840 492 HD21 LEU 63 HD21 LEU 63 -4.199 5.421 -0.212 493 HD22 LEU 63 HD22 LEU 63 -5.025 4.001 0.412 494 HD23 LEU 63 HD23 LEU 63 -4.818 4.191 -1.337 495 H ILE 64 H ILE 64 0.431 5.293 0.126 496 HA ILE 64 HA ILE 64 0.800 4.368 -2.513 497 HB ILE 64 HB ILE 64 2.080 6.552 -0.865 498 HG12 ILE 64 HG12 ILE 64 0.344 6.686 -3.384 499 HG13 ILE 64 HG13 ILE 64 -0.316 6.571 -1.745 500 HG21 ILE 64 HG21 ILE 64 3.865 6.028 -2.337 501 HG22 ILE 64 HG22 ILE 64 2.786 5.775 -3.714 502 HG23 ILE 64 HG23 ILE 64 3.061 7.409 -3.070 503 HD11 ILE 64 HD11 ILE 64 0.807 8.636 -1.085 504 HD12 ILE 64 HD12 ILE 64 1.386 8.845 -2.762 505 HD13 ILE 64 HD13 ILE 64 -0.358 8.852 -2.385 506 H ALA 65 H ALA 65 2.673 3.767 0.429 507 HA ALA 65 HA ALA 65 5.103 2.899 -0.716 508 HB1 ALA 65 HB1 ALA 65 5.605 2.067 1.432 509 HB2 ALA 65 HB2 ALA 65 4.480 3.382 1.763 510 HB3 ALA 65 HB3 ALA 65 3.927 1.697 1.796 511 H LEU 66 H LEU 66 2.193 1.006 0.223 512 HA LEU 66 HA LEU 66 3.264 -1.441 -0.923 513 HB2 LEU 66 HB2 LEU 66 0.534 -0.692 0.145 514 HB3 LEU 66 HB3 LEU 66 0.838 -2.257 -0.603 515 HG LEU 66 HG LEU 66 2.349 -1.171 1.788 516 HD11 LEU 66 HD11 LEU 66 0.007 -1.659 2.281 517 HD12 LEU 66 HD12 LEU 66 1.042 -2.878 3.047 518 HD13 LEU 66 HD13 LEU 66 0.147 -3.278 1.559 519 HD21 LEU 66 HD21 LEU 66 2.444 -3.926 0.502 520 HD22 LEU 66 HD22 LEU 66 3.102 -3.558 2.090 521 HD23 LEU 66 HD23 LEU 66 3.791 -2.776 0.667 522 H ALA 67 H ALA 67 0.742 0.896 -1.896 523 HA ALA 67 HA ALA 67 -0.293 -0.312 -4.154 524 HB1 ALA 67 HB1 ALA 67 -0.861 2.075 -4.826 525 HB2 ALA 67 HB2 ALA 67 -1.267 1.660 -3.160 526 HB3 ALA 67 HB3 ALA 67 0.187 2.617 -3.513 527 H ALA 68 H ALA 68 2.834 1.161 -3.797 528 HA ALA 68 HA ALA 68 3.589 1.855 -6.396 529 HB1 ALA 68 HB1 ALA 68 5.248 0.526 -4.181 530 HB2 ALA 68 HB2 ALA 68 5.873 1.513 -5.523 531 HB3 ALA 68 HB3 ALA 68 4.856 2.275 -4.286 532 H TYR 69 H TYR 69 3.551 -1.363 -4.814 533 HA TYR 69 HA TYR 69 4.978 -2.705 -6.955 534 HB2 TYR 69 HB2 TYR 69 3.259 -3.655 -4.655 535 HB3 TYR 69 HB3 TYR 69 4.023 -4.765 -5.798 536 HD1 TYR 69 HD1 TYR 69 4.497 -2.924 -2.755 537 HD2 TYR 69 HD2 TYR 69 6.568 -4.574 -6.152 538 HE1 TYR 69 HE1 TYR 69 6.631 -2.808 -1.519 539 HE2 TYR 69 HE2 TYR 69 8.708 -4.424 -4.939 540 HH TYR 69 HH TYR 69 9.788 -3.629 -3.051 541 H HIS 70 H HIS 70 1.475 -2.615 -5.972 542 HA HIS 70 HA HIS 70 0.580 -4.196 -8.125 543 HB2 HIS 70 HB2 HIS 70 -0.888 -3.808 -6.318 544 HB3 HIS 70 HB3 HIS 70 -0.702 -2.057 -6.448 545 HD1 HIS 70 HD1 HIS 70 -2.756 -4.925 -8.045 546 HD2 HIS 70 HD2 HIS 70 -1.936 -0.841 -8.497 547 HE1 HIS 70 HE1 HIS 70 -4.373 -4.045 -9.782 548 H ALA 71 H ALA 71 1.195 -0.630 -8.010 549 HA ALA 71 HA ALA 71 0.147 0.027 -10.513 550 HB1 ALA 71 HB1 ALA 71 1.678 1.938 -10.483 551 HB2 ALA 71 HB2 ALA 71 0.946 1.691 -8.888 552 HB3 ALA 71 HB3 ALA 71 2.632 1.187 -9.188 553 H LYS 72 H LYS 72 3.583 -0.964 -9.883 554 HA LYS 72 HA LYS 72 4.174 -1.060 -12.691 555 HB2 LYS 72 HB2 LYS 72 6.285 -1.926 -12.154 556 HB3 LYS 72 HB3 LYS 72 5.890 -0.616 -11.047 557 HG2 LYS 72 HG2 LYS 72 5.837 -1.947 -9.229 558 HG3 LYS 72 HG3 LYS 72 5.177 -3.354 -10.066 559 HD2 LYS 72 HD2 LYS 72 7.257 -3.971 -11.017 560 HD3 LYS 72 HD3 LYS 72 8.043 -2.465 -10.495 561 HE2 LYS 72 HE2 LYS 72 7.654 -3.114 -8.118 562 HE3 LYS 72 HE3 LYS 72 6.882 -4.608 -8.675 563 HZ1 LYS 72 HZ1 LYS 72 9.040 -5.155 -8.159 564 HZ2 LYS 72 HZ2 LYS 72 9.709 -3.862 -8.931 565 HZ3 LYS 72 HZ3 LYS 72 9.037 -5.142 -9.771 566 H HIS 73 H HIS 73 2.105 -3.163 -11.209 567 HA HIS 73 HA HIS 73 2.936 -5.435 -12.965 568 HB2 HIS 73 HB2 HIS 73 1.508 -5.588 -10.290 569 HB3 HIS 73 HB3 HIS 73 1.956 -6.946 -11.307 570 HD1 HIS 73 HD1 HIS 73 2.842 -6.326 -8.228 571 HD2 HIS 73 HD2 HIS 73 5.111 -6.024 -11.767 572 HE1 HIS 73 HE1 HIS 73 5.318 -6.610 -7.552 573 H CYS 74 H CYS 74 0.725 -2.956 -12.640 574 HA CYS 74 HA CYS 74 -1.620 -4.603 -13.271 575 HB2 CYS 74 HB2 CYS 74 -1.456 -2.498 -11.601 576 HB3 CYS 74 HB3 CYS 74 -1.851 -1.641 -13.105 577 H GLN 75 H GLN 75 -1.791 -5.203 -15.217 578 HA GLN 75 HA GLN 75 -0.692 -4.041 -17.580 579 HB2 GLN 75 HB2 GLN 75 -1.222 -6.401 -17.322 580 HB3 GLN 75 HB3 GLN 75 -2.933 -6.050 -17.083 581 HG2 GLN 75 HG2 GLN 75 -3.148 -5.337 -19.427 582 HG3 GLN 75 HG3 GLN 75 -1.409 -5.574 -19.671 583 HE21 GLN 75 HE21 GLN 75 -4.509 -7.110 -19.877 584 HE22 GLN 75 HE22 GLN 75 -3.951 -8.750 -20.039 585 H GLU 76 H GLU 76 -3.530 -3.281 -15.736 586 HA GLU 76 HA GLU 76 -5.245 -2.197 -17.758 587 HB2 GLU 76 HB2 GLU 76 -4.977 -1.988 -14.746 588 HB3 GLU 76 HB3 GLU 76 -6.204 -1.051 -15.619 589 HG2 GLU 76 HG2 GLU 76 -7.396 -2.934 -16.266 590 HG3 GLU 76 HG3 GLU 76 -5.996 -4.010 -16.130 591 H ASN 77 H ASN 77 -5.130 -0.290 -18.728 592 HA ASN 77 HA ASN 77 -2.894 1.513 -18.240 593 HB2 ASN 77 HB2 ASN 77 -5.343 1.852 -20.012 594 HB3 ASN 77 HB3 ASN 77 -3.863 2.807 -20.083 595 HD21 ASN 77 HD21 ASN 77 -5.445 0.091 -21.407 596 HD22 ASN 77 HD22 ASN 77 -4.060 -0.751 -22.029 597 H LYS 78 H LYS 78 -6.258 1.265 -17.367 598 HA LYS 78 HA LYS 78 -6.199 3.690 -15.663 599 HB2 LYS 78 HB2 LYS 78 -8.468 2.756 -17.468 600 HB3 LYS 78 HB3 LYS 78 -8.540 4.130 -16.389 601 HG2 LYS 78 HG2 LYS 78 -6.701 3.954 -18.808 602 HG3 LYS 78 HG3 LYS 78 -8.277 4.737 -18.786 603 HD2 LYS 78 HD2 LYS 78 -7.539 6.390 -17.148 604 HD3 LYS 78 HD3 LYS 78 -6.000 5.543 -16.939 605 HE2 LYS 78 HE2 LYS 78 -5.511 7.348 -18.355 606 HE3 LYS 78 HE3 LYS 78 -5.494 5.921 -19.374 607 HZ1 LYS 78 HZ1 LYS 78 -7.744 7.861 -19.193 608 HZ2 LYS 78 HZ2 LYS 78 -7.618 6.578 -20.257 609 HZ3 LYS 78 HZ3 LYS 78 -6.608 7.824 -20.354 610 H CYS 79 H CYS 79 -5.946 2.549 -13.802 611 HA CYS 79 HA CYS 79 -7.248 -0.008 -13.296 612 HB2 CYS 79 HB2 CYS 79 -5.479 1.810 -11.586 613 HB3 CYS 79 HB3 CYS 79 -6.002 0.188 -11.129 614 HA PRO 80 HA PRO 80 -10.665 1.574 -10.904 615 HB2 PRO 80 HB2 PRO 80 -11.037 -0.340 -9.007 616 HB3 PRO 80 HB3 PRO 80 -11.392 -0.582 -10.743 617 HG2 PRO 80 HG2 PRO 80 -8.898 -1.416 -9.227 618 HG3 PRO 80 HG3 PRO 80 -9.898 -2.385 -10.359 619 HD2 PRO 80 HD2 PRO 80 -7.631 -1.123 -11.165 620 HD3 PRO 80 HD3 PRO 80 -9.060 -1.234 -12.227 621 H VAL 81 H VAL 81 -7.720 0.577 -9.099 622 HA VAL 81 HA VAL 81 -8.412 2.054 -6.752 623 HB VAL 81 HB VAL 81 -5.730 1.015 -7.735 624 HG11 VAL 81 HG11 VAL 81 -6.568 2.227 -5.066 625 HG12 VAL 81 HG12 VAL 81 -5.040 1.337 -5.328 626 HG13 VAL 81 HG13 VAL 81 -5.330 2.845 -6.173 627 HG21 VAL 81 HG21 VAL 81 -7.680 -0.025 -5.635 628 HG22 VAL 81 HG22 VAL 81 -7.302 -0.798 -7.208 629 HG23 VAL 81 HG23 VAL 81 -6.073 -0.665 -5.946 630 HA PRO 82 HA PRO 82 -7.474 5.987 -8.722 631 HB2 PRO 82 HB2 PRO 82 -7.754 7.660 -6.526 632 HB3 PRO 82 HB3 PRO 82 -9.117 6.989 -7.474 633 HG2 PRO 82 HG2 PRO 82 -7.998 6.039 -4.842 634 HG3 PRO 82 HG3 PRO 82 -9.708 6.149 -5.356 635 HD2 PRO 82 HD2 PRO 82 -8.251 3.817 -5.375 636 HD3 PRO 82 HD3 PRO 82 -9.567 4.112 -6.532 637 H PHE 83 H PHE 83 -5.756 4.682 -5.990 638 HA PHE 83 HA PHE 83 -3.599 6.660 -6.007 639 HB2 PHE 83 HB2 PHE 83 -4.291 4.221 -4.395 640 HB3 PHE 83 HB3 PHE 83 -2.617 4.748 -4.473 641 HD1 PHE 83 HD1 PHE 83 -5.868 6.774 -4.252 642 HD2 PHE 83 HD2 PHE 83 -2.055 5.770 -2.523 643 HE1 PHE 83 HE1 PHE 83 -6.209 8.498 -2.520 644 HE2 PHE 83 HE2 PHE 83 -2.378 7.549 -0.804 645 HZ PHE 83 HZ PHE 83 -4.479 8.883 -0.772 646 H CYS 84 H CYS 84 -4.135 3.409 -7.358 647 HA CYS 84 HA CYS 84 -1.547 2.704 -8.091 648 HB2 CYS 84 HB2 CYS 84 -3.623 1.258 -8.246 649 HB3 CYS 84 HB3 CYS 84 -4.222 2.287 -9.535 650 H LEU 85 H LEU 85 -3.954 4.353 -10.078 651 HA LEU 85 HA LEU 85 -2.095 5.094 -12.091 652 HB2 LEU 85 HB2 LEU 85 -3.860 6.320 -13.108 653 HB3 LEU 85 HB3 LEU 85 -4.461 4.809 -12.485 654 HG LEU 85 HG LEU 85 -5.222 6.288 -10.395 655 HD11 LEU 85 HD11 LEU 85 -4.408 8.470 -10.944 656 HD12 LEU 85 HD12 LEU 85 -6.102 8.532 -11.424 657 HD13 LEU 85 HD13 LEU 85 -4.848 8.292 -12.643 658 HD21 LEU 85 HD21 LEU 85 -7.420 6.556 -11.487 659 HD22 LEU 85 HD22 LEU 85 -6.709 4.982 -11.818 660 HD23 LEU 85 HD23 LEU 85 -6.672 6.244 -13.071 661 H ASN 86 H ASN 86 -3.193 6.895 -9.173 662 HA ASN 86 HA ASN 86 -2.051 9.341 -10.002 663 HB2 ASN 86 HB2 ASN 86 -3.578 8.939 -8.025 664 HB3 ASN 86 HB3 ASN 86 -2.121 8.489 -7.100 665 HD21 ASN 86 HD21 ASN 86 -3.730 11.112 -9.007 666 HD22 ASN 86 HD22 ASN 86 -2.891 12.412 -8.222 667 H ILE 87 H ILE 87 -0.500 6.585 -8.337 668 HA ILE 87 HA ILE 87 1.974 7.826 -7.735 669 HB ILE 87 HB ILE 87 1.053 4.982 -8.303 670 HG12 ILE 87 HG12 ILE 87 2.120 6.256 -5.752 671 HG13 ILE 87 HG13 ILE 87 0.425 6.325 -6.185 672 HG21 ILE 87 HG21 ILE 87 3.379 4.954 -9.000 673 HG22 ILE 87 HG22 ILE 87 3.871 5.853 -7.553 674 HG23 ILE 87 HG23 ILE 87 3.259 4.177 -7.440 675 HD11 ILE 87 HD11 ILE 87 0.382 3.814 -6.329 676 HD12 ILE 87 HD12 ILE 87 2.012 3.801 -5.583 677 HD13 ILE 87 HD13 ILE 87 0.630 4.502 -4.717 678 H LYS 88 H LYS 88 0.962 5.890 -10.620 679 HA LYS 88 HA LYS 88 3.404 6.354 -12.010 680 HB2 LYS 88 HB2 LYS 88 1.290 4.619 -12.284 681 HB3 LYS 88 HB3 LYS 88 0.940 5.746 -13.578 682 HG2 LYS 88 HG2 LYS 88 2.229 3.966 -14.475 683 HG3 LYS 88 HG3 LYS 88 3.291 5.379 -14.448 684 HD2 LYS 88 HD2 LYS 88 4.591 4.516 -12.665 685 HD3 LYS 88 HD3 LYS 88 3.328 3.363 -12.172 686 HE2 LYS 88 HE2 LYS 88 3.700 1.968 -14.073 687 HE3 LYS 88 HE3 LYS 88 4.720 3.168 -14.871 688 HZ1 LYS 88 HZ1 LYS 88 5.545 2.010 -12.285 689 HZ2 LYS 88 HZ2 LYS 88 6.454 2.753 -13.460 690 HZ3 LYS 88 HZ3 LYS 88 5.894 1.272 -13.730 691 H GLN 89 H GLN 89 0.346 8.228 -12.039 692 HA GLN 89 HA GLN 89 0.896 9.773 -14.329 693 HB2 GLN 89 HB2 GLN 89 -0.635 10.428 -11.788 694 HB3 GLN 89 HB3 GLN 89 -0.550 11.544 -13.141 695 HG2 GLN 89 HG2 GLN 89 -1.623 8.721 -13.470 696 HG3 GLN 89 HG3 GLN 89 -2.628 10.078 -12.979 697 HE21 GLN 89 HE21 GLN 89 -1.657 8.284 -15.600 698 HE22 GLN 89 HE22 GLN 89 -2.107 9.434 -16.874 699 H LYS 90 H LYS 90 2.441 9.927 -11.190 700 HA LYS 90 HA LYS 90 3.491 12.654 -11.590 701 HB2 LYS 90 HB2 LYS 90 4.216 10.519 -9.557 702 HB3 LYS 90 HB3 LYS 90 4.798 12.185 -9.547 703 HG2 LYS 90 HG2 LYS 90 2.550 13.056 -9.191 704 HG3 LYS 90 HG3 LYS 90 1.857 11.433 -9.304 705 HD2 LYS 90 HD2 LYS 90 3.895 12.297 -7.212 706 HD3 LYS 90 HD3 LYS 90 2.142 12.268 -6.939 707 HE2 LYS 90 HE2 LYS 90 2.010 9.890 -7.180 708 HE3 LYS 90 HE3 LYS 90 3.622 9.789 -7.894 709 HZ1 LYS 90 HZ1 LYS 90 3.864 9.100 -5.701 710 HZ2 LYS 90 HZ2 LYS 90 3.035 10.405 -5.078 711 HZ3 LYS 90 HZ3 LYS 90 4.515 10.586 -5.756 712 H GLY 91 H GLY 91 4.235 12.050 -13.744 713 HA2 GLY 91 HA2 GLY 91 6.006 11.773 -15.198 714 HA3 GLY 91 HA3 GLY 91 7.048 11.540 -13.792 715 H GLY 92 H GLY 92 7.203 9.395 -12.845 716 HA2 GLY 92 HA2 GLY 92 6.541 7.038 -12.952 717 HA3 GLY 92 HA3 GLY 92 6.450 7.163 -14.704 718 H SER 93 H SER 93 9.196 8.945 -13.832 719 HA SER 93 HA SER 93 11.012 7.117 -14.964 720 HB2 SER 93 HB2 SER 93 12.723 8.673 -14.101 721 HB3 SER 93 HB3 SER 93 11.360 9.569 -14.789 722 HG SER 93 HG SER 93 11.669 10.536 -12.863 723 H GLY 94 H GLY 94 10.304 7.837 -11.555 724 HA2 GLY 94 HA2 GLY 94 10.527 6.449 -9.666 725 HA3 GLY 94 HA3 GLY 94 11.160 5.155 -10.707 726 H GLY 95 H GLY 95 12.485 8.463 -10.854 727 HA2 GLY 95 HA2 GLY 95 14.504 9.336 -10.140 728 HA3 GLY 95 HA3 GLY 95 14.659 7.965 -9.029 729 H GLY 96 H GLY 96 14.462 8.086 -12.608 730 HA2 GLY 96 HA2 GLY 96 15.818 7.238 -14.246 731 HA3 GLY 96 HA3 GLY 96 17.163 7.588 -13.163 732 H THR 97 H THR 97 14.481 5.193 -12.669 733 HA THR 97 HA THR 97 16.566 3.064 -12.558 734 HB THR 97 HB THR 97 15.214 1.937 -10.901 735 HG1 THR 97 HG1 THR 97 13.748 4.278 -10.400 736 HG21 THR 97 HG21 THR 97 15.810 3.216 -8.989 737 HG22 THR 97 HG22 THR 97 15.786 4.738 -9.900 738 HG23 THR 97 HG23 THR 97 17.051 3.549 -10.203 739 H GLY 98 H GLY 98 15.323 0.811 -12.792 740 HA2 GLY 98 HA2 GLY 98 13.696 -0.451 -13.919 741 HA3 GLY 98 HA3 GLY 98 13.195 0.963 -14.843 742 H GLY 99 H GLY 99 16.657 0.185 -14.563 743 HA2 GLY 99 HA2 GLY 99 16.969 -1.576 -16.672 744 HA3 GLY 99 HA3 GLY 99 16.806 -0.020 -17.462 745 H GLY 100 H GLY 100 18.375 1.116 -14.888 746 HA2 GLY 100 HA2 GLY 100 21.024 -0.009 -14.964 747 HA3 GLY 100 HA3 GLY 100 20.871 1.421 -16.002 748 H SER 101 H SER 101 20.225 0.238 -12.659 749 HA SER 101 HA SER 101 20.425 3.055 -11.687 750 HB2 SER 101 HB2 SER 101 19.247 2.197 -9.676 751 HB3 SER 101 HB3 SER 101 18.334 2.132 -11.195 752 HG SER 101 HG SER 101 19.152 0.095 -9.548 753 H GLY 102 H GLY 102 22.216 0.051 -11.699 754 HA2 GLY 102 HA2 GLY 102 24.317 -0.336 -10.829 755 HA3 GLY 102 HA3 GLY 102 24.281 1.265 -10.087 756 H THR 103 H THR 103 21.610 0.474 -8.778 757 HA THR 103 HA THR 103 22.450 -1.459 -6.742 758 HB THR 103 HB THR 103 21.457 1.376 -6.181 759 HG1 THR 103 HG1 THR 103 23.500 1.705 -6.518 760 HG21 THR 103 HG21 THR 103 22.008 0.810 -3.829 761 HG22 THR 103 HG22 THR 103 22.315 -0.868 -4.327 762 HG23 THR 103 HG23 THR 103 20.676 -0.171 -4.477 763 H ILE 104 H ILE 104 20.648 -2.545 -6.007 764 HA ILE 104 HA ILE 104 17.944 -1.814 -6.983 765 HB ILE 104 HB ILE 104 19.271 -4.532 -7.483 766 HG12 ILE 104 HG12 ILE 104 18.364 -3.888 -9.892 767 HG13 ILE 104 HG13 ILE 104 18.512 -2.239 -9.317 768 HG21 ILE 104 HG21 ILE 104 16.422 -3.605 -8.050 769 HG22 ILE 104 HG22 ILE 104 17.135 -5.162 -8.538 770 HG23 ILE 104 HG23 ILE 104 16.907 -4.815 -6.840 771 HD11 ILE 104 HD11 ILE 104 20.472 -2.860 -10.598 772 HD12 ILE 104 HD12 ILE 104 21.016 -2.811 -8.920 773 HD13 ILE 104 HD13 ILE 104 20.660 -4.362 -9.687 774 H GLU 105 H GLU 105 20.099 -3.790 -4.900 775 HA GLU 105 HA GLU 105 17.919 -4.048 -2.907 776 HB2 GLU 105 HB2 GLU 105 20.243 -5.900 -3.535 777 HB3 GLU 105 HB3 GLU 105 19.092 -6.100 -2.202 778 HG2 GLU 105 HG2 GLU 105 17.249 -6.454 -3.744 779 HG3 GLU 105 HG3 GLU 105 18.278 -6.084 -5.130 780 H GLY 106 H GLY 106 19.479 -1.728 -3.172 781 HA2 GLY 106 HA2 GLY 106 21.030 -0.336 -2.142 782 HA3 GLY 106 HA3 GLY 106 20.207 -0.963 -0.754 783 H ARG 107 H ARG 107 22.597 -2.502 -2.953 784 HA ARG 107 HA ARG 107 24.461 -3.729 -2.520 785 HB2 ARG 107 HB2 ARG 107 26.273 -2.597 -1.471 786 HB3 ARG 107 HB3 ARG 107 25.399 -1.598 -2.616 787 HG2 ARG 107 HG2 ARG 107 24.359 -0.314 -0.841 788 HG3 ARG 107 HG3 ARG 107 25.014 -1.420 0.396 789 HD2 ARG 107 HD2 ARG 107 27.299 -0.764 -0.237 790 HD3 ARG 107 HD3 ARG 107 26.659 0.216 -1.556 791 HE ARG 107 HE ARG 107 26.362 1.943 -0.100 792 HH11 ARG 107 HH11 ARG 107 26.435 -0.982 1.937 793 HH12 ARG 107 HH12 ARG 107 25.875 -0.162 3.346 794 HH21 ARG 107 HH21 ARG 107 25.972 3.074 1.875 795 HH22 ARG 107 HH22 ARG 107 25.912 2.184 3.345 796 H GLY 108 H GLY 108 22.148 -4.391 -0.668 797 HA2 GLY 108 HA2 GLY 108 22.722 -6.571 0.589 798 HA3 GLY 108 HA3 GLY 108 23.626 -5.493 1.659 799 H ASP 109 H ASP 109 21.136 -3.627 0.697 800 HA ASP 109 HA ASP 109 19.724 -3.465 3.074 801 HB2 ASP 109 HB2 ASP 109 20.061 -1.823 1.203 802 HB3 ASP 109 HB3 ASP 109 18.803 -2.671 0.296 803 H GLY 110 H GLY 110 19.457 -6.125 1.098 804 HA2 GLY 110 HA2 GLY 110 18.023 -7.925 1.415 805 HA3 GLY 110 HA3 GLY 110 16.859 -6.880 2.215 806 H GLY 111 H GLY 111 16.778 -4.931 -0.017 807 HA2 GLY 111 HA2 GLY 111 16.148 -4.936 -2.388 808 HA3 GLY 111 HA3 GLY 111 15.499 -6.556 -2.182 809 H THR 112 H THR 112 14.705 -4.519 0.470 810 HA THR 112 HA THR 112 12.179 -3.542 -0.718 811 HB THR 112 HB THR 112 11.083 -4.428 1.442 812 HG1 THR 112 HG1 THR 112 12.887 -5.062 2.518 813 HG21 THR 112 HG21 THR 112 10.504 -5.362 -0.722 814 HG22 THR 112 HG22 THR 112 10.588 -6.628 0.520 815 HG23 THR 112 HG23 THR 112 11.907 -6.459 -0.649 816 H THR 113 H THR 113 13.962 -1.781 -0.579 817 HA THR 113 HA THR 113 14.806 -0.691 1.905 818 HB THR 113 HB THR 113 15.552 -0.301 -0.554 819 HG1 THR 113 HG1 THR 113 16.568 0.650 1.108 820 HG21 THR 113 HG21 THR 113 14.871 1.713 -1.660 821 HG22 THR 113 HG22 THR 113 13.717 2.099 -0.358 822 HG23 THR 113 HG23 THR 113 13.441 0.705 -1.442 823 H PHE 114 H PHE 114 11.960 -0.091 -0.121 824 HA PHE 114 HA PHE 114 10.865 2.074 1.131 825 HB2 PHE 114 HB2 PHE 114 9.040 1.769 -0.136 826 HB3 PHE 114 HB3 PHE 114 10.169 0.765 -1.027 827 HD1 PHE 114 HD1 PHE 114 6.934 0.916 0.209 828 HD2 PHE 114 HD2 PHE 114 10.276 -1.801 0.085 829 HE1 PHE 114 HE1 PHE 114 5.471 -0.915 1.027 830 HE2 PHE 114 HE2 PHE 114 8.839 -3.590 0.943 831 HZ PHE 114 HZ PHE 114 6.456 -3.153 1.455 832 H GLU 115 H GLU 115 11.043 -1.130 2.558 833 HA GLU 115 HA GLU 115 8.857 -1.099 4.338 834 HB2 GLU 115 HB2 GLU 115 11.703 -2.144 4.671 835 HB3 GLU 115 HB3 GLU 115 10.408 -2.484 5.812 836 HG2 GLU 115 HG2 GLU 115 10.157 -3.201 2.880 837 HG3 GLU 115 HG3 GLU 115 10.976 -4.251 4.028 838 H HIS 116 H HIS 116 11.842 0.795 4.277 839 HA HIS 116 HA HIS 116 12.057 1.561 6.923 840 HB2 HIS 116 HB2 HIS 116 13.502 3.179 6.246 841 HB3 HIS 116 HB3 HIS 116 13.550 2.122 4.855 842 HD1 HIS 116 HD1 HIS 116 12.238 5.616 5.902 843 HD2 HIS 116 HD2 HIS 116 12.612 3.145 2.516 844 HE1 HIS 116 HE1 HIS 116 12.070 7.124 3.903 845 H LEU 117 H LEU 117 9.719 2.648 4.496 846 HA LEU 117 HA LEU 117 8.710 4.931 5.823 847 HB2 LEU 117 HB2 LEU 117 7.560 3.002 3.780 848 HB3 LEU 117 HB3 LEU 117 6.488 4.115 4.597 849 HG LEU 117 HG LEU 117 8.277 5.948 3.859 850 HD11 LEU 117 HD11 LEU 117 9.875 4.280 2.936 851 HD12 LEU 117 HD12 LEU 117 9.356 5.458 1.720 852 HD13 LEU 117 HD13 LEU 117 8.677 3.810 1.725 853 HD21 LEU 117 HD21 LEU 117 5.911 5.858 3.094 854 HD22 LEU 117 HD22 LEU 117 6.377 4.696 1.837 855 HD23 LEU 117 HD23 LEU 117 7.014 6.357 1.805 856 H TRP 118 H TRP 118 8.093 1.458 6.591 857 HA TRP 118 HA TRP 118 5.613 1.837 7.818 858 HB2 TRP 118 HB2 TRP 118 7.788 -0.145 8.483 859 HB3 TRP 118 HB3 TRP 118 6.136 -0.221 9.094 860 HD1 TRP 118 HD1 TRP 118 8.061 -1.766 6.625 861 HE1 TRP 118 HE1 TRP 118 6.660 -2.720 4.626 862 HE3 TRP 118 HE3 TRP 118 3.771 0.789 7.430 863 HZ2 TRP 118 HZ2 TRP 118 4.129 -2.073 3.390 864 HZ3 TRP 118 HZ3 TRP 118 1.804 0.545 5.896 865 HH2 TRP 118 HH2 TRP 118 2.008 -0.805 3.852 866 H SER 119 H SER 119 8.722 2.701 9.110 867 HA SER 119 HA SER 119 7.840 3.037 11.824 868 HB2 SER 119 HB2 SER 119 10.204 2.994 10.960 869 HB3 SER 119 HB3 SER 119 10.006 4.681 10.456 870 HG SER 119 HG SER 119 9.647 5.186 12.650 871 H SER 120 H SER 120 6.961 4.794 9.035 872 HA SER 120 HA SER 120 6.320 7.340 10.345 873 HB2 SER 120 HB2 SER 120 7.319 6.843 7.955 874 HB3 SER 120 HB3 SER 120 5.650 6.480 7.518 875 HG SER 120 HG SER 120 5.128 8.626 8.108 876 H LEU 121 H LEU 121 4.920 4.374 10.545 877 HA LEU 121 HA LEU 121 2.097 5.136 10.077 878 HB2 LEU 121 HB2 LEU 121 3.349 2.927 9.293 879 HB3 LEU 121 HB3 LEU 121 3.164 2.408 10.948 880 HG LEU 121 HG LEU 121 0.697 3.427 9.566 881 HD11 LEU 121 HD11 LEU 121 0.329 1.476 8.254 882 HD12 LEU 121 HD12 LEU 121 1.788 0.676 8.893 883 HD13 LEU 121 HD13 LEU 121 1.920 2.067 7.812 884 HD21 LEU 121 HD21 LEU 121 1.233 0.942 11.246 885 HD22 LEU 121 HD22 LEU 121 -0.356 1.431 10.634 886 HD23 LEU 121 HD23 LEU 121 0.467 2.415 11.838 887 H GLU 122 H GLU 122 0.616 4.392 12.039 888 HA GLU 122 HA GLU 122 1.708 5.602 14.417 889 HB2 GLU 122 HB2 GLU 122 -0.876 4.071 13.879 890 HB3 GLU 122 HB3 GLU 122 -0.418 4.709 15.469 891 HG2 GLU 122 HG2 GLU 122 -0.125 6.987 14.387 892 HG3 GLU 122 HG3 GLU 122 -0.843 6.327 12.920 893 HA PRO 123 HA PRO 123 3.753 1.999 15.970 894 HB2 PRO 123 HB2 PRO 123 3.927 2.563 18.670 895 HB3 PRO 123 HB3 PRO 123 4.837 3.420 17.391 896 HG2 PRO 123 HG2 PRO 123 2.206 4.254 18.643 897 HG3 PRO 123 HG3 PRO 123 3.711 5.225 18.468 898 HD2 PRO 123 HD2 PRO 123 1.735 5.443 16.660 899 HD3 PRO 123 HD3 PRO 123 3.433 5.375 16.105 900 H ASP 124 H ASP 124 0.560 2.125 16.154 901 HA ASP 124 HA ASP 124 0.222 -0.238 17.970 902 HB2 ASP 124 HB2 ASP 124 -0.989 1.727 18.757 903 HB3 ASP 124 HB3 ASP 124 -1.760 1.913 17.168 904 H SER 125 H SER 125 0.094 0.862 14.674 905 HA SER 125 HA SER 125 -0.858 0.077 12.795 906 HB2 SER 125 HB2 SER 125 0.432 -2.396 13.991 907 HB3 SER 125 HB3 SER 125 0.016 -2.170 12.279 908 HG SER 125 HG SER 125 1.931 -1.296 12.214 909 H THR 126 H THR 126 -3.059 0.244 14.617 910 HA THR 126 HA THR 126 -4.539 -2.186 14.560 911 HB THR 126 HB THR 126 -4.925 -0.467 16.171 912 HG1 THR 126 HG1 THR 126 -6.987 -0.706 16.299 913 HG21 THR 126 HG21 THR 126 -6.095 1.249 13.950 914 HG22 THR 126 HG22 THR 126 -4.589 1.587 14.832 915 HG23 THR 126 HG23 THR 126 -6.129 1.613 15.690 916 H TYR 127 H TYR 127 -3.783 -0.132 11.995 917 HA TYR 127 HA TYR 127 -5.961 -1.250 10.296 918 HB2 TYR 127 HB2 TYR 127 -5.672 0.746 8.906 919 HB3 TYR 127 HB3 TYR 127 -6.330 1.040 10.502 920 HD1 TYR 127 HD1 TYR 127 -3.495 1.453 8.310 921 HD2 TYR 127 HD2 TYR 127 -5.021 2.364 12.203 922 HE1 TYR 127 HE1 TYR 127 -1.660 3.112 8.630 923 HE2 TYR 127 HE2 TYR 127 -3.246 4.055 12.539 924 HH TYR 127 HH TYR 127 -1.023 4.979 9.897 925 H PHE 128 H PHE 128 -2.469 -1.136 10.659 926 HA PHE 128 HA PHE 128 -2.145 -2.777 8.253 927 HB2 PHE 128 HB2 PHE 128 -0.966 -0.177 9.027 928 HB3 PHE 128 HB3 PHE 128 0.269 -1.321 8.614 929 HD1 PHE 128 HD1 PHE 128 -0.328 -2.878 6.491 930 HD2 PHE 128 HD2 PHE 128 -1.855 1.002 7.329 931 HE1 PHE 128 HE1 PHE 128 -1.019 -2.681 4.123 932 HE2 PHE 128 HE2 PHE 128 -2.528 1.283 4.849 933 HZ PHE 128 HZ PHE 128 -2.091 -0.572 3.311 934 H ASP 129 H ASP 129 0.757 -2.989 8.834 935 HA ASP 129 HA ASP 129 0.900 -4.734 11.163 936 HB2 ASP 129 HB2 ASP 129 2.693 -5.855 10.014 937 HB3 ASP 129 HB3 ASP 129 1.239 -6.031 9.053 938 H LEU 130 H LEU 130 3.472 -4.505 11.695 939 HA LEU 130 HA LEU 130 4.197 -1.609 11.570 940 HB2 LEU 130 HB2 LEU 130 3.324 -2.385 13.869 941 HB3 LEU 130 HB3 LEU 130 4.697 -3.475 13.923 942 HG LEU 130 HG LEU 130 6.252 -1.527 13.788 943 HD11 LEU 130 HD11 LEU 130 5.353 0.764 14.176 944 HD12 LEU 130 HD12 LEU 130 3.702 0.153 13.997 945 HD13 LEU 130 HD13 LEU 130 4.810 0.138 12.617 946 HD21 LEU 130 HD21 LEU 130 4.155 -1.365 16.001 947 HD22 LEU 130 HD22 LEU 130 5.800 -0.702 16.075 948 HD23 LEU 130 HD23 LEU 130 5.567 -2.450 15.966 Start of MODEL 20 1 H1 ALA 1 H ALA 1 24.717 -9.432 0.085 2 HA ALA 1 HA ALA 1 23.124 -7.894 2.031 3 HB1 ALA 1 HB1 ALA 1 22.100 -9.882 -0.030 4 HB2 ALA 1 HB2 ALA 1 21.131 -8.823 1.029 5 HB3 ALA 1 HB3 ALA 1 22.117 -8.115 -0.255 6 H THR 2 H THR 2 21.324 -9.907 2.684 7 HA THR 2 HA THR 2 22.837 -12.073 3.955 8 HB THR 2 HB THR 2 21.369 -11.458 6.021 9 HG1 THR 2 HG1 THR 2 20.084 -9.871 5.196 10 HG21 THR 2 HG21 THR 2 23.604 -9.510 5.342 11 HG22 THR 2 HG22 THR 2 23.841 -11.179 5.910 12 HG23 THR 2 HG23 THR 2 23.032 -9.999 6.954 13 H GLN 3 H GLN 3 21.356 -13.867 4.404 14 HA GLN 3 HA GLN 3 18.633 -13.639 3.477 15 HB2 GLN 3 HB2 GLN 3 18.647 -15.307 1.830 16 HB3 GLN 3 HB3 GLN 3 19.838 -14.090 1.361 17 HG2 GLN 3 HG2 GLN 3 21.658 -15.597 2.092 18 HG3 GLN 3 HG3 GLN 3 20.458 -16.843 2.491 19 HE21 GLN 3 HE21 GLN 3 22.668 -16.735 0.368 20 HE22 GLN 3 HE22 GLN 3 21.841 -17.133 -1.126 21 H SER 4 H SER 4 17.359 -15.053 4.569 22 HA SER 4 HA SER 4 18.512 -17.282 6.045 23 HB2 SER 4 HB2 SER 4 19.121 -15.665 7.614 24 HB3 SER 4 HB3 SER 4 17.695 -14.668 7.328 25 HG SER 4 HG SER 4 17.799 -17.165 8.638 26 HA PRO 5 HA PRO 5 13.877 -17.634 6.288 27 HB2 PRO 5 HB2 PRO 5 12.111 -15.653 5.744 28 HB3 PRO 5 HB3 PRO 5 12.974 -15.714 7.308 29 HG2 PRO 5 HG2 PRO 5 13.721 -14.102 4.836 30 HG3 PRO 5 HG3 PRO 5 13.523 -13.506 6.513 31 HD2 PRO 5 HD2 PRO 5 15.963 -14.185 5.547 32 HD3 PRO 5 HD3 PRO 5 15.511 -14.597 7.224 33 H GLY 6 H GLY 6 12.023 -17.937 4.760 34 HA2 GLY 6 HA2 GLY 6 12.896 -18.224 1.986 35 HA3 GLY 6 HA3 GLY 6 11.373 -18.780 2.712 36 H ASP 7 H ASP 7 13.143 -15.806 2.081 37 HA ASP 7 HA ASP 7 12.554 -13.607 1.790 38 HB2 ASP 7 HB2 ASP 7 11.197 -15.175 -0.406 39 HB3 ASP 7 HB3 ASP 7 11.140 -13.423 -0.380 40 H SER 8 H SER 8 11.060 -14.358 4.011 41 HA SER 8 HA SER 8 8.350 -14.027 3.959 42 HB2 SER 8 HB2 SER 8 10.241 -12.837 6.028 43 HB3 SER 8 HB3 SER 8 8.524 -13.231 6.249 44 HG SER 8 HG SER 8 9.890 -14.843 7.044 45 H ARG 9 H ARG 9 10.753 -11.369 3.863 46 HA ARG 9 HA ARG 9 9.029 -9.168 4.014 47 HB2 ARG 9 HB2 ARG 9 10.778 -7.919 2.851 48 HB3 ARG 9 HB3 ARG 9 11.414 -8.921 4.133 49 HG2 ARG 9 HG2 ARG 9 11.967 -10.662 2.252 50 HG3 ARG 9 HG3 ARG 9 11.668 -9.317 1.141 51 HD2 ARG 9 HD2 ARG 9 13.413 -8.002 2.405 52 HD3 ARG 9 HD3 ARG 9 13.743 -9.448 3.365 53 HE ARG 9 HE ARG 9 14.384 -8.958 0.547 54 HH11 ARG 9 HH11 ARG 9 14.581 -11.319 3.240 55 HH12 ARG 9 HH12 ARG 9 15.268 -12.549 2.250 56 HH21 ARG 9 HH21 ARG 9 15.632 -10.555 -0.657 57 HH22 ARG 9 HH22 ARG 9 16.022 -12.017 0.122 58 H ARG 10 H ARG 10 9.805 -11.170 1.138 59 HA ARG 10 HA ARG 10 8.490 -9.385 -0.727 60 HB2 ARG 10 HB2 ARG 10 9.130 -12.372 -0.949 61 HB3 ARG 10 HB3 ARG 10 8.595 -11.372 -2.273 62 HG2 ARG 10 HG2 ARG 10 11.191 -10.895 -0.731 63 HG3 ARG 10 HG3 ARG 10 11.061 -11.857 -2.200 64 HD2 ARG 10 HD2 ARG 10 10.365 -8.908 -1.979 65 HD3 ARG 10 HD3 ARG 10 11.882 -9.561 -2.627 66 HE ARG 10 HE ARG 10 9.245 -9.510 -3.871 67 HH11 ARG 10 HH11 ARG 10 12.498 -11.069 -4.039 68 HH12 ARG 10 HH12 ARG 10 12.369 -11.366 -5.728 69 HH21 ARG 10 HH21 ARG 10 9.064 -10.130 -6.087 70 HH22 ARG 10 HH22 ARG 10 10.321 -11.088 -6.804 71 H LEU 11 H LEU 11 7.626 -12.443 0.847 72 HA LEU 11 HA LEU 11 5.012 -12.699 -0.164 73 HB2 LEU 11 HB2 LEU 11 6.094 -13.710 2.490 74 HB3 LEU 11 HB3 LEU 11 4.676 -14.320 1.640 75 HG LEU 11 HG LEU 11 7.561 -14.481 0.651 76 HD11 LEU 11 HD11 LEU 11 7.095 -15.967 2.529 77 HD12 LEU 11 HD12 LEU 11 7.295 -16.877 1.027 78 HD13 LEU 11 HD13 LEU 11 5.663 -16.608 1.690 79 HD21 LEU 11 HD21 LEU 11 5.020 -15.565 -0.625 80 HD22 LEU 11 HD22 LEU 11 6.687 -15.944 -1.124 81 HD23 LEU 11 HD23 LEU 11 6.090 -14.301 -1.290 82 H SER 12 H SER 12 6.105 -11.037 2.825 83 HA SER 12 HA SER 12 3.463 -10.543 3.848 84 HB2 SER 12 HB2 SER 12 4.723 -8.758 5.180 85 HB3 SER 12 HB3 SER 12 5.204 -10.442 5.409 86 HG SER 12 HG SER 12 6.999 -10.166 4.294 87 H ILE 13 H ILE 13 5.781 -8.422 2.081 88 HA ILE 13 HA ILE 13 4.073 -6.269 1.655 89 HB ILE 13 HB ILE 13 6.345 -7.389 -0.050 90 HG12 ILE 13 HG12 ILE 13 6.198 -4.967 1.790 91 HG13 ILE 13 HG13 ILE 13 6.788 -6.555 2.286 92 HG21 ILE 13 HG21 ILE 13 6.466 -5.171 -1.169 93 HG22 ILE 13 HG22 ILE 13 4.972 -6.008 -1.512 94 HG23 ILE 13 HG23 ILE 13 4.982 -4.677 -0.322 95 HD11 ILE 13 HD11 ILE 13 8.721 -5.265 1.802 96 HD12 ILE 13 HD12 ILE 13 8.532 -6.373 0.438 97 HD13 ILE 13 HD13 ILE 13 8.064 -4.667 0.272 98 H GLN 14 H GLN 14 4.409 -9.220 -0.386 99 HA GLN 14 HA GLN 14 2.458 -8.440 -2.310 100 HB2 GLN 14 HB2 GLN 14 3.609 -11.107 -1.451 101 HB3 GLN 14 HB3 GLN 14 2.353 -10.989 -2.694 102 HG2 GLN 14 HG2 GLN 14 3.714 -9.491 -4.045 103 HG3 GLN 14 HG3 GLN 14 4.907 -9.298 -2.788 104 HE21 GLN 14 HE21 GLN 14 3.428 -12.028 -4.639 105 HE22 GLN 14 HE22 GLN 14 4.983 -12.810 -4.967 106 H ARG 15 H ARG 15 2.025 -10.294 0.777 107 HA ARG 15 HA ARG 15 -0.740 -10.802 0.255 108 HB2 ARG 15 HB2 ARG 15 0.883 -10.618 2.844 109 HB3 ARG 15 HB3 ARG 15 -0.871 -10.820 2.870 110 HG2 ARG 15 HG2 ARG 15 -0.658 -12.887 1.487 111 HG3 ARG 15 HG3 ARG 15 1.099 -12.718 1.557 112 HD2 ARG 15 HD2 ARG 15 0.369 -14.355 3.201 113 HD3 ARG 15 HD3 ARG 15 0.993 -12.921 4.043 114 HE ARG 15 HE ARG 15 -1.886 -12.863 3.535 115 HH11 ARG 15 HH11 ARG 15 0.521 -13.973 5.967 116 HH12 ARG 15 HH12 ARG 15 -0.585 -13.605 7.268 117 HH21 ARG 15 HH21 ARG 15 -3.178 -12.511 5.176 118 HH22 ARG 15 HH22 ARG 15 -2.728 -12.742 6.843 119 H ALA 16 H ALA 16 0.982 -8.112 1.945 120 HA ALA 16 HA ALA 16 -1.289 -6.655 2.757 121 HB1 ALA 16 HB1 ALA 16 1.058 -6.264 3.511 122 HB2 ALA 16 HB2 ALA 16 1.452 -5.593 1.923 123 HB3 ALA 16 HB3 ALA 16 0.259 -4.776 2.947 124 H ILE 17 H ILE 17 0.666 -6.337 -0.237 125 HA ILE 17 HA ILE 17 -0.794 -4.352 -1.531 126 HB ILE 17 HB ILE 17 0.788 -6.723 -2.568 127 HG12 ILE 17 HG12 ILE 17 1.409 -3.745 -2.834 128 HG13 ILE 17 HG13 ILE 17 1.792 -4.643 -1.371 129 HG21 ILE 17 HG21 ILE 17 -0.364 -4.526 -4.325 130 HG22 ILE 17 HG22 ILE 17 0.819 -5.740 -4.840 131 HG23 ILE 17 HG23 ILE 17 -0.791 -6.252 -4.388 132 HD11 ILE 17 HD11 ILE 17 3.726 -4.596 -2.789 133 HD12 ILE 17 HD12 ILE 17 3.113 -6.272 -2.678 134 HD13 ILE 17 HD13 ILE 17 2.821 -5.332 -4.137 135 H GLN 18 H GLN 18 -1.344 -7.943 -1.800 136 HA GLN 18 HA GLN 18 -3.594 -7.711 -3.512 137 HB2 GLN 18 HB2 GLN 18 -2.502 -9.823 -1.647 138 HB3 GLN 18 HB3 GLN 18 -4.090 -10.044 -2.372 139 HG2 GLN 18 HG2 GLN 18 -1.556 -9.426 -3.953 140 HG3 GLN 18 HG3 GLN 18 -2.252 -11.026 -3.735 141 HE21 GLN 18 HE21 GLN 18 -1.901 -9.513 -6.295 142 HE22 GLN 18 HE22 GLN 18 -3.536 -9.320 -6.950 143 H SER 19 H SER 19 -3.382 -7.853 0.051 144 HA SER 19 HA SER 19 -6.188 -7.807 0.444 145 HB2 SER 19 HB2 SER 19 -4.105 -6.650 2.354 146 HB3 SER 19 HB3 SER 19 -5.701 -7.294 2.755 147 HG SER 19 HG SER 19 -3.415 -8.690 1.749 148 H LEU 20 H LEU 20 -3.896 -5.199 -0.135 149 HA LEU 20 HA LEU 20 -5.667 -3.075 0.623 150 HB2 LEU 20 HB2 LEU 20 -3.016 -3.235 0.329 151 HB3 LEU 20 HB3 LEU 20 -3.334 -2.741 -1.308 152 HG LEU 20 HG LEU 20 -4.428 -1.243 1.089 153 HD11 LEU 20 HD11 LEU 20 -2.080 -1.248 1.470 154 HD12 LEU 20 HD12 LEU 20 -2.466 0.330 0.778 155 HD13 LEU 20 HD13 LEU 20 -1.723 -0.912 -0.227 156 HD21 LEU 20 HD21 LEU 20 -4.622 0.598 -0.362 157 HD22 LEU 20 HD22 LEU 20 -5.397 -0.737 -1.171 158 HD23 LEU 20 HD23 LEU 20 -3.776 -0.234 -1.700 159 H VAL 21 H VAL 21 -4.565 -4.259 -2.619 160 HA VAL 21 HA VAL 21 -6.262 -2.539 -4.073 161 HB VAL 21 HB VAL 21 -4.325 -3.689 -5.038 162 HG11 VAL 21 HG11 VAL 21 -5.975 -6.218 -5.191 163 HG12 VAL 21 HG12 VAL 21 -4.327 -5.945 -5.788 164 HG13 VAL 21 HG13 VAL 21 -4.649 -5.922 -4.051 165 HG21 VAL 21 HG21 VAL 21 -6.949 -3.949 -6.486 166 HG22 VAL 21 HG22 VAL 21 -5.668 -2.711 -6.626 167 HG23 VAL 21 HG23 VAL 21 -5.405 -4.357 -7.219 168 H HIS 22 H HIS 22 -6.858 -5.802 -2.727 169 HA HIS 22 HA HIS 22 -9.412 -6.065 -3.999 170 HB2 HIS 22 HB2 HIS 22 -8.376 -8.058 -3.299 171 HB3 HIS 22 HB3 HIS 22 -8.051 -7.430 -1.673 172 HD1 HIS 22 HD1 HIS 22 -11.083 -8.808 -3.682 173 HD2 HIS 22 HD2 HIS 22 -9.874 -7.484 0.134 174 HE1 HIS 22 HE1 HIS 22 -13.019 -9.244 -2.097 175 H ALA 23 H ALA 23 -8.497 -5.047 -0.597 176 HA ALA 23 HA ALA 23 -11.099 -4.618 0.312 177 HB1 ALA 23 HB1 ALA 23 -9.276 -4.667 1.850 178 HB2 ALA 23 HB2 ALA 23 -8.490 -3.283 1.061 179 HB3 ALA 23 HB3 ALA 23 -9.994 -3.047 1.954 180 H ALA 24 H ALA 24 -9.034 -2.459 -1.610 181 HA ALA 24 HA ALA 24 -10.469 -0.110 -1.195 182 HB1 ALA 24 HB1 ALA 24 -8.235 -0.172 -2.296 183 HB2 ALA 24 HB2 ALA 24 -8.929 -1.045 -3.656 184 HB3 ALA 24 HB3 ALA 24 -9.385 0.659 -3.371 185 H GLN 25 H GLN 25 -11.155 -2.639 -3.503 186 HA GLN 25 HA GLN 25 -13.621 -1.176 -4.332 187 HB2 GLN 25 HB2 GLN 25 -13.565 -2.748 -6.258 188 HB3 GLN 25 HB3 GLN 25 -12.187 -1.640 -6.169 189 HG2 GLN 25 HG2 GLN 25 -10.767 -3.386 -5.225 190 HG3 GLN 25 HG3 GLN 25 -12.114 -4.515 -5.180 191 HE21 GLN 25 HE21 GLN 25 -9.364 -4.356 -6.674 192 HE22 GLN 25 HE22 GLN 25 -9.836 -4.850 -8.282 193 H CYS 26 H CYS 26 -12.588 -3.776 -2.405 194 HA CYS 26 HA CYS 26 -14.461 -5.708 -2.756 195 HB2 CYS 26 HB2 CYS 26 -12.675 -6.150 -1.335 196 HB3 CYS 26 HB3 CYS 26 -13.084 -4.844 -0.253 197 H ARG 27 H ARG 27 -16.427 -5.573 -3.088 198 HA ARG 27 HA ARG 27 -18.267 -3.980 -1.347 199 HB2 ARG 27 HB2 ARG 27 -19.723 -3.764 -3.297 200 HB3 ARG 27 HB3 ARG 27 -18.121 -3.098 -3.597 201 HG2 ARG 27 HG2 ARG 27 -17.508 -5.177 -4.877 202 HG3 ARG 27 HG3 ARG 27 -19.136 -5.814 -4.575 203 HD2 ARG 27 HD2 ARG 27 -19.011 -4.828 -6.812 204 HD3 ARG 27 HD3 ARG 27 -20.118 -3.914 -5.798 205 HE ARG 27 HE ARG 27 -18.622 -2.130 -5.649 206 HH11 ARG 27 HH11 ARG 27 -16.961 -4.788 -7.414 207 HH12 ARG 27 HH12 ARG 27 -15.836 -3.702 -8.156 208 HH21 ARG 27 HH21 ARG 27 -17.077 -0.766 -6.688 209 HH22 ARG 27 HH22 ARG 27 -15.880 -1.458 -7.724 210 H ASN 28 H ASN 28 -17.267 -7.150 -1.929 211 HA ASN 28 HA ASN 28 -19.973 -8.300 -1.842 212 HB2 ASN 28 HB2 ASN 28 -17.247 -9.669 -1.698 213 HB3 ASN 28 HB3 ASN 28 -18.797 -10.486 -1.739 214 HD21 ASN 28 HD21 ASN 28 -20.268 -9.340 -3.693 215 HD22 ASN 28 HD22 ASN 28 -19.389 -9.137 -5.221 216 H ALA 29 H ALA 29 -20.996 -8.064 0.107 217 HA ALA 29 HA ALA 29 -19.630 -7.571 2.572 218 HB1 ALA 29 HB1 ALA 29 -21.857 -7.995 3.590 219 HB2 ALA 29 HB2 ALA 29 -21.939 -6.862 2.228 220 HB3 ALA 29 HB3 ALA 29 -22.458 -8.551 2.020 221 H ASN 30 H ASN 30 -20.152 -10.380 0.804 222 HA ASN 30 HA ASN 30 -20.165 -12.430 2.795 223 HB2 ASN 30 HB2 ASN 30 -21.018 -12.530 0.433 224 HB3 ASN 30 HB3 ASN 30 -19.353 -12.426 -0.148 225 HD21 ASN 30 HD21 ASN 30 -18.491 -14.372 -0.639 226 HD22 ASN 30 HD22 ASN 30 -18.841 -15.886 0.175 227 H CYS 31 H CYS 31 -17.607 -10.464 1.438 228 HA CYS 31 HA CYS 31 -15.414 -12.372 1.908 229 HB2 CYS 31 HB2 CYS 31 -15.276 -10.692 0.083 230 HB3 CYS 31 HB3 CYS 31 -15.488 -9.389 1.263 231 H SER 32 H SER 32 -14.635 -12.681 3.961 232 HA SER 32 HA SER 32 -14.685 -10.404 5.890 233 HB2 SER 32 HB2 SER 32 -15.578 -13.267 6.367 234 HB3 SER 32 HB3 SER 32 -15.422 -12.028 7.628 235 HG SER 32 HG SER 32 -17.525 -12.404 6.651 236 H LEU 33 H LEU 33 -12.525 -10.021 5.791 237 HA LEU 33 HA LEU 33 -10.720 -12.132 6.853 238 HB2 LEU 33 HB2 LEU 33 -10.010 -10.103 4.719 239 HB3 LEU 33 HB3 LEU 33 -8.956 -11.350 5.343 240 HG LEU 33 HG LEU 33 -11.488 -11.914 3.710 241 HD11 LEU 33 HD11 LEU 33 -9.946 -10.661 2.337 242 HD12 LEU 33 HD12 LEU 33 -9.910 -12.344 1.845 243 HD13 LEU 33 HD13 LEU 33 -8.580 -11.706 2.827 244 HD21 LEU 33 HD21 LEU 33 -10.405 -14.150 3.437 245 HD22 LEU 33 HD22 LEU 33 -10.798 -13.789 5.111 246 HD23 LEU 33 HD23 LEU 33 -9.123 -13.634 4.539 247 HA PRO 34 HA PRO 34 -9.879 -8.764 9.651 248 HB2 PRO 34 HB2 PRO 34 -7.296 -9.333 10.488 249 HB3 PRO 34 HB3 PRO 34 -8.779 -10.148 11.069 250 HG2 PRO 34 HG2 PRO 34 -6.872 -11.073 8.910 251 HG3 PRO 34 HG3 PRO 34 -7.574 -12.026 10.255 252 HD2 PRO 34 HD2 PRO 34 -8.633 -12.128 7.768 253 HD3 PRO 34 HD3 PRO 34 -9.702 -12.104 9.201 254 H SER 35 H SER 35 -7.247 -9.481 7.239 255 HA SER 35 HA SER 35 -6.236 -6.850 7.312 256 HB2 SER 35 HB2 SER 35 -5.952 -8.449 4.834 257 HB3 SER 35 HB3 SER 35 -4.772 -7.477 5.687 258 HG SER 35 HG SER 35 -4.124 -9.437 6.156 259 H CYS 36 H CYS 36 -8.935 -8.287 5.464 260 HA CYS 36 HA CYS 36 -9.121 -6.176 3.534 261 HB2 CYS 36 HB2 CYS 36 -10.176 -8.532 3.396 262 HB3 CYS 36 HB3 CYS 36 -11.427 -7.920 4.496 263 H GLN 37 H GLN 37 -11.020 -6.876 6.520 264 HA GLN 37 HA GLN 37 -12.498 -4.490 6.470 265 HB2 GLN 37 HB2 GLN 37 -13.098 -4.941 8.783 266 HB3 GLN 37 HB3 GLN 37 -13.181 -6.382 7.780 267 HG2 GLN 37 HG2 GLN 37 -10.972 -7.092 8.651 268 HG3 GLN 37 HG3 GLN 37 -10.926 -5.687 9.711 269 HE21 GLN 37 HE21 GLN 37 -11.314 -6.377 11.773 270 HE22 GLN 37 HE22 GLN 37 -12.460 -7.634 12.233 271 H LYS 38 H LYS 38 -9.265 -5.016 8.080 272 HA LYS 38 HA LYS 38 -9.336 -2.344 9.150 273 HB2 LYS 38 HB2 LYS 38 -7.088 -2.616 9.800 274 HB3 LYS 38 HB3 LYS 38 -7.931 -4.143 10.063 275 HG2 LYS 38 HG2 LYS 38 -6.955 -4.784 7.716 276 HG3 LYS 38 HG3 LYS 38 -5.834 -3.449 7.977 277 HD2 LYS 38 HD2 LYS 38 -6.246 -5.898 9.754 278 HD3 LYS 38 HD3 LYS 38 -4.875 -5.621 8.665 279 HE2 LYS 38 HE2 LYS 38 -4.372 -3.509 10.002 280 HE3 LYS 38 HE3 LYS 38 -5.681 -3.922 11.102 281 HZ1 LYS 38 HZ1 LYS 38 -4.503 -5.832 11.827 282 HZ2 LYS 38 HZ2 LYS 38 -3.482 -4.541 11.884 283 HZ3 LYS 38 HZ3 LYS 38 -3.333 -5.658 10.691 284 H MET 39 H MET 39 -8.038 -3.657 6.027 285 HA MET 39 HA MET 39 -6.883 -1.229 5.172 286 HB2 MET 39 HB2 MET 39 -7.981 -3.658 3.710 287 HB3 MET 39 HB3 MET 39 -7.337 -2.268 2.839 288 HG2 MET 39 HG2 MET 39 -5.760 -3.840 4.894 289 HG3 MET 39 HG3 MET 39 -5.696 -4.065 3.145 290 HE1 MET 39 HE1 MET 39 -2.339 -2.546 3.247 291 HE2 MET 39 HE2 MET 39 -3.149 -3.941 4.017 292 HE3 MET 39 HE3 MET 39 -3.513 -3.563 2.342 293 H LYS 40 H LYS 40 -10.230 -2.410 5.046 294 HA LYS 40 HA LYS 40 -11.307 -0.646 3.238 295 HB2 LYS 40 HB2 LYS 40 -12.377 -2.307 5.406 296 HB3 LYS 40 HB3 LYS 40 -13.239 -0.791 5.324 297 HG2 LYS 40 HG2 LYS 40 -14.490 -2.012 3.913 298 HG3 LYS 40 HG3 LYS 40 -13.367 -1.298 2.739 299 HD2 LYS 40 HD2 LYS 40 -11.987 -3.383 2.850 300 HD3 LYS 40 HD3 LYS 40 -13.132 -4.080 3.993 301 HE2 LYS 40 HE2 LYS 40 -13.618 -3.328 1.088 302 HE3 LYS 40 HE3 LYS 40 -13.578 -4.951 1.804 303 HZ1 LYS 40 HZ1 LYS 40 -15.789 -4.344 1.468 304 HZ2 LYS 40 HZ2 LYS 40 -15.623 -2.873 2.125 305 HZ3 LYS 40 HZ3 LYS 40 -15.566 -4.214 3.114 306 H ARG 41 H ARG 41 -10.277 -0.000 6.499 307 HA ARG 41 HA ARG 41 -11.672 2.506 6.910 308 HB2 ARG 41 HB2 ARG 41 -9.156 1.401 8.257 309 HB3 ARG 41 HB3 ARG 41 -10.091 2.780 8.820 310 HG2 ARG 41 HG2 ARG 41 -12.021 1.432 9.299 311 HG3 ARG 41 HG3 ARG 41 -11.363 0.043 8.478 312 HD2 ARG 41 HD2 ARG 41 -11.307 -0.268 10.894 313 HD3 ARG 41 HD3 ARG 41 -9.730 -0.386 10.130 314 HE ARG 41 HE ARG 41 -9.042 0.993 11.696 315 HH11 ARG 41 HH11 ARG 41 -12.346 2.147 10.953 316 HH12 ARG 41 HH12 ARG 41 -12.290 3.393 12.130 317 HH21 ARG 41 HH21 ARG 41 -9.072 2.635 13.302 318 HH22 ARG 41 HH22 ARG 41 -10.410 3.733 13.436 319 H VAL 42 H VAL 42 -8.425 1.622 5.645 320 HA VAL 42 HA VAL 42 -7.508 4.263 5.308 321 HB VAL 42 HB VAL 42 -6.816 1.843 3.616 322 HG11 VAL 42 HG11 VAL 42 -5.930 3.647 2.455 323 HG12 VAL 42 HG12 VAL 42 -5.618 4.583 3.924 324 HG13 VAL 42 HG13 VAL 42 -4.579 3.222 3.504 325 HG21 VAL 42 HG21 VAL 42 -4.933 1.405 5.066 326 HG22 VAL 42 HG22 VAL 42 -5.371 2.793 6.085 327 HG23 VAL 42 HG23 VAL 42 -6.407 1.333 5.996 328 H VAL 43 H VAL 43 -9.167 2.077 2.868 329 HA VAL 43 HA VAL 43 -9.105 4.053 0.875 330 HB VAL 43 HB VAL 43 -9.453 1.682 0.441 331 HG11 VAL 43 HG11 VAL 43 -11.618 0.595 0.619 332 HG12 VAL 43 HG12 VAL 43 -11.012 1.110 2.172 333 HG13 VAL 43 HG13 VAL 43 -12.313 2.044 1.388 334 HG21 VAL 43 HG21 VAL 43 -9.866 2.925 -1.439 335 HG22 VAL 43 HG22 VAL 43 -11.350 1.998 -1.307 336 HG23 VAL 43 HG23 VAL 43 -11.315 3.685 -0.784 337 H GLN 44 H GLN 44 -11.399 3.495 3.537 338 HA GLN 44 HA GLN 44 -13.455 5.225 2.595 339 HB2 GLN 44 HB2 GLN 44 -13.831 3.622 4.419 340 HB3 GLN 44 HB3 GLN 44 -12.589 4.398 5.401 341 HG2 GLN 44 HG2 GLN 44 -13.977 6.462 5.510 342 HG3 GLN 44 HG3 GLN 44 -15.236 5.630 4.580 343 HE21 GLN 44 HE21 GLN 44 -16.473 6.315 6.576 344 HE22 GLN 44 HE22 GLN 44 -16.443 5.253 7.971 345 H HIS 45 H HIS 45 -10.599 5.795 4.668 346 HA HIS 45 HA HIS 45 -11.047 8.567 5.044 347 HB2 HIS 45 HB2 HIS 45 -9.623 7.393 6.521 348 HB3 HIS 45 HB3 HIS 45 -8.610 6.791 5.229 349 HD1 HIS 45 HD1 HIS 45 -9.354 10.179 7.011 350 HD2 HIS 45 HD2 HIS 45 -6.531 8.248 4.544 351 HE1 HIS 45 HE1 HIS 45 -7.313 11.642 6.942 352 H THR 46 H THR 46 -8.823 6.923 2.658 353 HA THR 46 HA THR 46 -7.902 9.214 1.402 354 HB THR 46 HB THR 46 -7.214 7.710 -0.419 355 HG1 THR 46 HG1 THR 46 -7.925 5.517 -0.225 356 HG21 THR 46 HG21 THR 46 -6.719 7.062 2.451 357 HG22 THR 46 HG22 THR 46 -5.606 7.320 1.105 358 HG23 THR 46 HG23 THR 46 -6.413 5.765 1.325 359 H LYS 47 H LYS 47 -10.942 7.470 0.703 360 HA LYS 47 HA LYS 47 -11.588 8.816 -1.702 361 HB2 LYS 47 HB2 LYS 47 -13.324 7.677 0.518 362 HB3 LYS 47 HB3 LYS 47 -14.054 8.488 -0.859 363 HG2 LYS 47 HG2 LYS 47 -13.143 6.909 -2.432 364 HG3 LYS 47 HG3 LYS 47 -12.139 6.144 -1.187 365 HD2 LYS 47 HD2 LYS 47 -14.253 5.565 0.066 366 HD3 LYS 47 HD3 LYS 47 -15.194 6.161 -1.319 367 HE2 LYS 47 HE2 LYS 47 -14.086 4.495 -2.799 368 HE3 LYS 47 HE3 LYS 47 -13.110 3.943 -1.438 369 HZ1 LYS 47 HZ1 LYS 47 -14.886 2.483 -1.722 370 HZ2 LYS 47 HZ2 LYS 47 -16.020 3.676 -1.717 371 HZ3 LYS 47 HZ3 LYS 47 -15.184 3.272 -0.331 372 H GLY 48 H GLY 48 -11.717 9.979 1.617 373 HA2 GLY 48 HA2 GLY 48 -13.061 12.506 0.827 374 HA3 GLY 48 HA3 GLY 48 -12.876 11.859 2.457 375 H CYS 49 H CYS 49 -9.800 11.412 0.922 376 HA CYS 49 HA CYS 49 -8.676 13.490 2.521 377 HB2 CYS 49 HB2 CYS 49 -7.555 11.434 0.602 378 HB3 CYS 49 HB3 CYS 49 -6.543 12.654 1.359 379 H LYS 50 H LYS 50 -9.408 15.407 1.889 380 HA LYS 50 HA LYS 50 -8.724 16.335 -0.865 381 HB2 LYS 50 HB2 LYS 50 -10.717 17.522 1.094 382 HB3 LYS 50 HB3 LYS 50 -10.326 18.165 -0.504 383 HG2 LYS 50 HG2 LYS 50 -11.667 15.488 0.086 384 HG3 LYS 50 HG3 LYS 50 -12.423 16.930 -0.583 385 HD2 LYS 50 HD2 LYS 50 -10.914 16.763 -2.573 386 HD3 LYS 50 HD3 LYS 50 -10.279 15.234 -1.953 387 HE2 LYS 50 HE2 LYS 50 -13.198 15.761 -2.660 388 HE3 LYS 50 HE3 LYS 50 -12.021 14.960 -3.703 389 HZ1 LYS 50 HZ1 LYS 50 -11.796 13.236 -1.972 390 HZ2 LYS 50 HZ2 LYS 50 -13.300 13.353 -2.629 391 HZ3 LYS 50 HZ3 LYS 50 -13.034 13.960 -1.129 392 H ARG 51 H ARG 51 -7.970 16.524 2.477 393 HA ARG 51 HA ARG 51 -6.535 18.976 2.506 394 HB2 ARG 51 HB2 ARG 51 -5.799 18.268 4.682 395 HB3 ARG 51 HB3 ARG 51 -7.473 17.773 4.493 396 HG2 ARG 51 HG2 ARG 51 -6.581 15.424 3.880 397 HG3 ARG 51 HG3 ARG 51 -4.988 16.016 4.359 398 HD2 ARG 51 HD2 ARG 51 -5.878 14.855 6.233 399 HD3 ARG 51 HD3 ARG 51 -5.928 16.577 6.619 400 HE ARG 51 HE ARG 51 -8.336 15.285 5.438 401 HH11 ARG 51 HH11 ARG 51 -6.893 16.860 8.279 402 HH12 ARG 51 HH12 ARG 51 -8.403 17.213 9.016 403 HH21 ARG 51 HH21 ARG 51 -10.313 15.371 6.624 404 HH22 ARG 51 HH22 ARG 51 -10.449 16.471 7.939 405 H LYS 52 H LYS 52 -5.720 16.218 0.818 406 HA LYS 52 HA LYS 52 -3.176 15.533 1.196 407 HB2 LYS 52 HB2 LYS 52 -4.435 16.085 -1.524 408 HB3 LYS 52 HB3 LYS 52 -3.030 15.068 -1.216 409 HG2 LYS 52 HG2 LYS 52 -4.475 13.658 0.328 410 HG3 LYS 52 HG3 LYS 52 -5.840 14.644 -0.168 411 HD2 LYS 52 HD2 LYS 52 -6.080 12.795 -1.512 412 HD3 LYS 52 HD3 LYS 52 -5.273 13.901 -2.611 413 HE2 LYS 52 HE2 LYS 52 -3.824 11.868 -0.853 414 HE3 LYS 52 HE3 LYS 52 -4.497 11.445 -2.430 415 HZ1 LYS 52 HZ1 LYS 52 -3.077 13.005 -3.498 416 HZ2 LYS 52 HZ2 LYS 52 -2.125 12.042 -2.591 417 HZ3 LYS 52 HZ3 LYS 52 -2.430 13.558 -2.083 418 H THR 53 H THR 53 -3.958 18.640 -0.535 419 HA THR 53 HA THR 53 -1.022 19.141 -0.646 420 HB THR 53 HB THR 53 -3.385 20.650 -1.818 421 HG1 THR 53 HG1 THR 53 -1.497 19.089 -3.221 422 HG21 THR 53 HG21 THR 53 -1.452 22.131 -1.572 423 HG22 THR 53 HG22 THR 53 -1.666 21.705 -3.275 424 HG23 THR 53 HG23 THR 53 -0.390 20.924 -2.312 425 H ASN 54 H ASN 54 -4.047 20.457 0.656 426 HA ASN 54 HA ASN 54 -2.911 22.621 2.133 427 HB2 ASN 54 HB2 ASN 54 -5.646 21.279 2.149 428 HB3 ASN 54 HB3 ASN 54 -5.238 22.728 3.058 429 HD21 ASN 54 HD21 ASN 54 -6.575 24.217 2.085 430 HD22 ASN 54 HD22 ASN 54 -6.478 24.640 0.378 431 H GLY 55 H GLY 55 -1.730 20.005 2.877 432 HA2 GLY 55 HA2 GLY 55 -0.765 19.630 5.071 433 HA3 GLY 55 HA3 GLY 55 -2.332 19.993 5.813 434 H GLY 56 H GLY 56 -0.896 17.807 3.371 435 HA2 GLY 56 HA2 GLY 56 -2.874 15.748 3.542 436 HA3 GLY 56 HA3 GLY 56 -1.247 15.610 2.834 437 H CYS 57 H CYS 57 -2.721 13.678 4.539 438 HA CYS 57 HA CYS 57 -1.228 13.677 7.076 439 HB2 CYS 57 HB2 CYS 57 -2.871 11.932 7.626 440 HB3 CYS 57 HB3 CYS 57 -3.630 13.409 7.086 441 HA PRO 58 HA PRO 58 1.603 10.536 5.916 442 HB2 PRO 58 HB2 PRO 58 1.674 8.667 7.937 443 HB3 PRO 58 HB3 PRO 58 2.337 10.329 8.071 444 HG2 PRO 58 HG2 PRO 58 -0.379 9.334 8.968 445 HG3 PRO 58 HG3 PRO 58 0.809 10.318 9.887 446 HD2 PRO 58 HD2 PRO 58 -1.266 11.462 8.642 447 HD3 PRO 58 HD3 PRO 58 0.336 12.239 8.604 448 H ILE 59 H ILE 59 -1.633 9.249 6.744 449 HA ILE 59 HA ILE 59 -1.248 6.625 5.726 450 HB ILE 59 HB ILE 59 -3.828 8.257 5.825 451 HG12 ILE 59 HG12 ILE 59 -2.535 6.300 7.786 452 HG13 ILE 59 HG13 ILE 59 -2.790 8.030 8.030 453 HG21 ILE 59 HG21 ILE 59 -3.936 6.246 4.280 454 HG22 ILE 59 HG22 ILE 59 -3.459 5.220 5.649 455 HG23 ILE 59 HG23 ILE 59 -4.995 6.115 5.669 456 HD11 ILE 59 HD11 ILE 59 -4.444 6.899 9.313 457 HD12 ILE 59 HD12 ILE 59 -5.290 7.584 7.915 458 HD13 ILE 59 HD13 ILE 59 -4.903 5.845 7.969 459 H CYS 60 H CYS 60 -2.201 9.685 4.074 460 HA CYS 60 HA CYS 60 -2.671 8.656 1.503 461 HB2 CYS 60 HB2 CYS 60 -1.532 11.335 2.423 462 HB3 CYS 60 HB3 CYS 60 -1.900 10.967 0.745 463 H LYS 61 H LYS 61 0.470 9.834 2.841 464 HA LYS 61 HA LYS 61 1.865 9.151 0.403 465 HB2 LYS 61 HB2 LYS 61 3.913 9.660 1.447 466 HB3 LYS 61 HB3 LYS 61 2.741 10.864 1.964 467 HG2 LYS 61 HG2 LYS 61 2.584 9.874 4.153 468 HG3 LYS 61 HG3 LYS 61 3.579 8.485 3.674 469 HD2 LYS 61 HD2 LYS 61 5.505 9.964 3.300 470 HD3 LYS 61 HD3 LYS 61 4.532 11.364 3.825 471 HE2 LYS 61 HE2 LYS 61 4.272 10.448 6.053 472 HE3 LYS 61 HE3 LYS 61 4.981 8.903 5.560 473 HZ1 LYS 61 HZ1 LYS 61 6.451 11.464 5.708 474 HZ2 LYS 61 HZ2 LYS 61 7.083 10.004 5.240 475 HZ3 LYS 61 HZ3 LYS 61 6.536 10.237 6.771 476 H GLN 62 H GLN 62 1.256 7.321 3.394 477 HA GLN 62 HA GLN 62 3.050 5.162 2.746 478 HB2 GLN 62 HB2 GLN 62 0.672 5.491 4.584 479 HB3 GLN 62 HB3 GLN 62 1.568 3.970 4.464 480 HG2 GLN 62 HG2 GLN 62 3.602 4.950 5.236 481 HG3 GLN 62 HG3 GLN 62 2.987 6.594 5.035 482 HE21 GLN 62 HE21 GLN 62 4.129 5.879 7.480 483 HE22 GLN 62 HE22 GLN 62 2.843 5.877 8.656 484 H LEU 63 H LEU 63 -0.413 5.816 2.019 485 HA LEU 63 HA LEU 63 -1.010 3.273 0.965 486 HB2 LEU 63 HB2 LEU 63 -2.787 4.920 1.395 487 HB3 LEU 63 HB3 LEU 63 -2.112 6.024 0.202 488 HG LEU 63 HG LEU 63 -2.649 4.508 -1.620 489 HD11 LEU 63 HD11 LEU 63 -4.011 2.486 -1.247 490 HD12 LEU 63 HD12 LEU 63 -3.707 2.609 0.510 491 HD13 LEU 63 HD13 LEU 63 -2.365 2.295 -0.622 492 HD21 LEU 63 HD21 LEU 63 -4.991 4.751 -1.585 493 HD22 LEU 63 HD22 LEU 63 -4.428 6.048 -0.520 494 HD23 LEU 63 HD23 LEU 63 -5.104 4.545 0.160 495 H ILE 64 H ILE 64 0.223 6.219 -0.648 496 HA ILE 64 HA ILE 64 0.479 5.126 -3.224 497 HB ILE 64 HB ILE 64 1.828 7.454 -1.822 498 HG12 ILE 64 HG12 ILE 64 -0.284 7.302 -4.053 499 HG13 ILE 64 HG13 ILE 64 -0.622 7.404 -2.302 500 HG21 ILE 64 HG21 ILE 64 2.655 8.301 -3.943 501 HG22 ILE 64 HG22 ILE 64 3.360 6.714 -3.672 502 HG23 ILE 64 HG23 ILE 64 2.018 6.887 -4.807 503 HD11 ILE 64 HD11 ILE 64 0.673 9.570 -3.905 504 HD12 ILE 64 HD12 ILE 64 -0.949 9.530 -3.181 505 HD13 ILE 64 HD13 ILE 64 0.480 9.545 -2.127 506 H ALA 65 H ALA 65 2.759 5.056 -0.462 507 HA ALA 65 HA ALA 65 5.008 4.118 -1.835 508 HB1 ALA 65 HB1 ALA 65 5.822 3.293 0.278 509 HB2 ALA 65 HB2 ALA 65 4.989 4.830 0.573 510 HB3 ALA 65 HB3 ALA 65 4.210 3.279 0.990 511 H LEU 66 H LEU 66 2.329 2.192 -0.386 512 HA LEU 66 HA LEU 66 3.573 -0.288 -1.340 513 HB2 LEU 66 HB2 LEU 66 2.261 -0.015 0.837 514 HB3 LEU 66 HB3 LEU 66 0.800 0.049 -0.153 515 HG LEU 66 HG LEU 66 1.295 -2.219 -1.025 516 HD11 LEU 66 HD11 LEU 66 3.100 -3.565 0.188 517 HD12 LEU 66 HD12 LEU 66 3.804 -2.021 0.682 518 HD13 LEU 66 HD13 LEU 66 3.669 -2.435 -1.042 519 HD21 LEU 66 HD21 LEU 66 1.551 -2.193 2.004 520 HD22 LEU 66 HD22 LEU 66 0.820 -3.451 0.973 521 HD23 LEU 66 HD23 LEU 66 0.044 -1.878 1.131 522 H ALA 67 H ALA 67 0.801 1.799 -2.264 523 HA ALA 67 HA ALA 67 -0.255 0.198 -4.291 524 HB1 ALA 67 HB1 ALA 67 -1.415 2.172 -3.459 525 HB2 ALA 67 HB2 ALA 67 -0.162 3.223 -4.143 526 HB3 ALA 67 HB3 ALA 67 -1.212 2.278 -5.222 527 H ALA 68 H ALA 68 2.688 2.123 -4.350 528 HA ALA 68 HA ALA 68 3.114 2.310 -7.124 529 HB1 ALA 68 HB1 ALA 68 5.489 2.479 -6.547 530 HB2 ALA 68 HB2 ALA 68 4.523 3.402 -5.378 531 HB3 ALA 68 HB3 ALA 68 5.182 1.800 -4.936 532 H TYR 69 H TYR 69 3.359 -0.518 -4.982 533 HA TYR 69 HA TYR 69 4.820 -2.106 -6.972 534 HB2 TYR 69 HB2 TYR 69 3.571 -2.706 -4.284 535 HB3 TYR 69 HB3 TYR 69 3.925 -3.987 -5.437 536 HD1 TYR 69 HD1 TYR 69 6.083 -0.965 -4.873 537 HD2 TYR 69 HD2 TYR 69 5.562 -5.211 -4.259 538 HE1 TYR 69 HE1 TYR 69 8.449 -1.157 -4.290 539 HE2 TYR 69 HE2 TYR 69 7.937 -5.413 -3.663 540 HH TYR 69 HH TYR 69 10.025 -4.318 -3.874 541 H HIS 70 H HIS 70 1.401 -1.698 -5.815 542 HA HIS 70 HA HIS 70 0.373 -3.742 -7.524 543 HB2 HIS 70 HB2 HIS 70 -1.041 -3.138 -5.833 544 HB3 HIS 70 HB3 HIS 70 -0.877 -1.414 -6.055 545 HD1 HIS 70 HD1 HIS 70 -2.627 -4.410 -7.680 546 HD2 HIS 70 HD2 HIS 70 -2.345 -0.205 -7.832 547 HE1 HIS 70 HE1 HIS 70 -4.470 -3.628 -9.224 548 H ALA 71 H ALA 71 1.055 -0.266 -8.147 549 HA ALA 71 HA ALA 71 -0.088 -0.089 -10.679 550 HB1 ALA 71 HB1 ALA 71 1.372 1.849 -10.989 551 HB2 ALA 71 HB2 ALA 71 0.704 1.807 -9.344 552 HB3 ALA 71 HB3 ALA 71 2.399 1.322 -9.639 553 H LYS 72 H LYS 72 2.833 -1.882 -9.899 554 HA LYS 72 HA LYS 72 3.574 -1.957 -12.792 555 HB2 LYS 72 HB2 LYS 72 5.592 -3.187 -12.058 556 HB3 LYS 72 HB3 LYS 72 5.488 -1.520 -11.461 557 HG2 LYS 72 HG2 LYS 72 4.917 -2.226 -9.270 558 HG3 LYS 72 HG3 LYS 72 4.608 -3.896 -9.804 559 HD2 LYS 72 HD2 LYS 72 6.949 -4.214 -10.293 560 HD3 LYS 72 HD3 LYS 72 7.327 -2.542 -9.768 561 HE2 LYS 72 HE2 LYS 72 6.549 -3.051 -7.511 562 HE3 LYS 72 HE3 LYS 72 5.949 -4.641 -8.051 563 HZ1 LYS 72 HZ1 LYS 72 8.312 -5.126 -8.617 564 HZ2 LYS 72 HZ2 LYS 72 8.011 -5.008 -7.011 565 HZ3 LYS 72 HZ3 LYS 72 8.729 -3.754 -7.793 566 H HIS 73 H HIS 73 1.675 -3.714 -10.572 567 HA HIS 73 HA HIS 73 2.081 -6.274 -12.045 568 HB2 HIS 73 HB2 HIS 73 0.548 -5.737 -9.492 569 HB3 HIS 73 HB3 HIS 73 0.884 -7.312 -10.210 570 HD1 HIS 73 HD1 HIS 73 1.851 -5.757 -7.324 571 HD2 HIS 73 HD2 HIS 73 4.086 -6.958 -10.670 572 HE1 HIS 73 HE1 HIS 73 4.317 -5.895 -6.572 573 H CYS 74 H CYS 74 -0.143 -3.608 -11.575 574 HA CYS 74 HA CYS 74 -2.561 -4.889 -12.338 575 HB2 CYS 74 HB2 CYS 74 -1.749 -2.326 -11.478 576 HB3 CYS 74 HB3 CYS 74 -2.315 -2.072 -13.144 577 H GLN 75 H GLN 75 -3.346 -5.423 -14.312 578 HA GLN 75 HA GLN 75 -1.425 -5.264 -16.555 579 HB2 GLN 75 HB2 GLN 75 -2.263 -7.497 -15.937 580 HB3 GLN 75 HB3 GLN 75 -3.922 -6.981 -16.297 581 HG2 GLN 75 HG2 GLN 75 -3.279 -6.553 -18.656 582 HG3 GLN 75 HG3 GLN 75 -1.594 -6.951 -18.287 583 HE21 GLN 75 HE21 GLN 75 -1.038 -9.009 -18.956 584 HE22 GLN 75 HE22 GLN 75 -2.147 -10.367 -19.002 585 H GLU 76 H GLU 76 -4.944 -4.812 -15.931 586 HA GLU 76 HA GLU 76 -5.479 -3.552 -18.470 587 HB2 GLU 76 HB2 GLU 76 -7.161 -4.765 -17.126 588 HB3 GLU 76 HB3 GLU 76 -6.976 -3.626 -15.805 589 HG2 GLU 76 HG2 GLU 76 -9.009 -3.158 -17.036 590 HG3 GLU 76 HG3 GLU 76 -7.881 -1.818 -17.181 591 H ASN 77 H ASN 77 -5.574 -1.307 -18.932 592 HA ASN 77 HA ASN 77 -3.886 0.381 -17.214 593 HB2 ASN 77 HB2 ASN 77 -5.092 0.681 -19.947 594 HB3 ASN 77 HB3 ASN 77 -4.831 2.143 -19.016 595 HD21 ASN 77 HD21 ASN 77 -3.001 -0.711 -20.284 596 HD22 ASN 77 HD22 ASN 77 -1.576 0.269 -20.544 597 H LYS 78 H LYS 78 -7.322 -0.148 -17.485 598 HA LYS 78 HA LYS 78 -7.934 2.358 -16.050 599 HB2 LYS 78 HB2 LYS 78 -10.303 1.814 -16.442 600 HB3 LYS 78 HB3 LYS 78 -9.331 2.117 -17.870 601 HG2 LYS 78 HG2 LYS 78 -9.185 -0.313 -18.311 602 HG3 LYS 78 HG3 LYS 78 -10.229 -0.645 -16.927 603 HD2 LYS 78 HD2 LYS 78 -10.990 1.100 -19.316 604 HD3 LYS 78 HD3 LYS 78 -11.347 -0.628 -19.192 605 HE2 LYS 78 HE2 LYS 78 -12.720 -0.278 -17.198 606 HE3 LYS 78 HE3 LYS 78 -12.309 1.444 -17.173 607 HZ1 LYS 78 HZ1 LYS 78 -13.716 0.144 -19.403 608 HZ2 LYS 78 HZ2 LYS 78 -13.467 1.766 -19.191 609 HZ3 LYS 78 HZ3 LYS 78 -14.484 0.903 -18.188 610 H CYS 79 H CYS 79 -6.676 1.540 -14.200 611 HA CYS 79 HA CYS 79 -7.547 -0.579 -12.568 612 HB2 CYS 79 HB2 CYS 79 -6.095 2.032 -11.922 613 HB3 CYS 79 HB3 CYS 79 -6.264 0.716 -10.783 614 HA PRO 80 HA PRO 80 -11.158 1.406 -10.669 615 HB2 PRO 80 HB2 PRO 80 -11.674 -0.418 -8.680 616 HB3 PRO 80 HB3 PRO 80 -12.034 -0.735 -10.406 617 HG2 PRO 80 HG2 PRO 80 -9.586 -1.592 -8.825 618 HG3 PRO 80 HG3 PRO 80 -10.627 -2.594 -9.890 619 HD2 PRO 80 HD2 PRO 80 -8.321 -1.539 -10.826 620 HD3 PRO 80 HD3 PRO 80 -9.763 -1.570 -11.846 621 H VAL 81 H VAL 81 -8.074 0.684 -9.083 622 HA VAL 81 HA VAL 81 -8.748 2.104 -6.616 623 HB VAL 81 HB VAL 81 -6.122 0.910 -7.587 624 HG11 VAL 81 HG11 VAL 81 -6.918 2.113 -4.894 625 HG12 VAL 81 HG12 VAL 81 -5.412 1.214 -5.210 626 HG13 VAL 81 HG13 VAL 81 -5.701 2.755 -6.012 627 HG21 VAL 81 HG21 VAL 81 -8.230 -0.022 -5.587 628 HG22 VAL 81 HG22 VAL 81 -7.789 -0.832 -7.092 629 HG23 VAL 81 HG23 VAL 81 -6.627 -0.763 -5.765 630 HA PRO 82 HA PRO 82 -7.721 5.803 -8.952 631 HB2 PRO 82 HB2 PRO 82 -8.057 7.714 -7.016 632 HB3 PRO 82 HB3 PRO 82 -9.393 6.857 -7.846 633 HG2 PRO 82 HG2 PRO 82 -8.249 6.326 -5.124 634 HG3 PRO 82 HG3 PRO 82 -9.960 6.331 -5.623 635 HD2 PRO 82 HD2 PRO 82 -8.426 4.027 -5.376 636 HD3 PRO 82 HD3 PRO 82 -9.808 4.125 -6.446 637 H PHE 83 H PHE 83 -6.007 4.979 -5.879 638 HA PHE 83 HA PHE 83 -3.959 6.951 -6.441 639 HB2 PHE 83 HB2 PHE 83 -4.209 4.709 -4.454 640 HB3 PHE 83 HB3 PHE 83 -2.668 5.489 -4.744 641 HD1 PHE 83 HD1 PHE 83 -6.003 7.357 -4.762 642 HD2 PHE 83 HD2 PHE 83 -2.368 6.434 -2.669 643 HE1 PHE 83 HE1 PHE 83 -6.483 9.148 -3.153 644 HE2 PHE 83 HE2 PHE 83 -2.817 8.294 -1.064 645 HZ PHE 83 HZ PHE 83 -4.914 9.622 -1.279 646 H CYS 84 H CYS 84 -4.554 3.723 -7.627 647 HA CYS 84 HA CYS 84 -1.901 3.041 -8.416 648 HB2 CYS 84 HB2 CYS 84 -3.935 1.502 -8.309 649 HB3 CYS 84 HB3 CYS 84 -4.523 2.262 -9.798 650 H LEU 85 H LEU 85 -4.636 4.498 -10.249 651 HA LEU 85 HA LEU 85 -3.017 5.063 -12.551 652 HB2 LEU 85 HB2 LEU 85 -4.851 6.269 -13.474 653 HB3 LEU 85 HB3 LEU 85 -5.397 4.787 -12.726 654 HG LEU 85 HG LEU 85 -5.859 6.415 -10.653 655 HD11 LEU 85 HD11 LEU 85 -6.178 8.242 -13.065 656 HD12 LEU 85 HD12 LEU 85 -5.037 8.498 -11.731 657 HD13 LEU 85 HD13 LEU 85 -6.770 8.596 -11.430 658 HD21 LEU 85 HD21 LEU 85 -7.722 6.223 -13.005 659 HD22 LEU 85 HD22 LEU 85 -8.184 6.565 -11.325 660 HD23 LEU 85 HD23 LEU 85 -7.505 4.981 -11.746 661 H ASN 86 H ASN 86 -3.711 6.965 -9.596 662 HA ASN 86 HA ASN 86 -2.546 9.426 -10.513 663 HB2 ASN 86 HB2 ASN 86 -2.585 8.170 -7.711 664 HB3 ASN 86 HB3 ASN 86 -1.909 9.759 -8.054 665 HD21 ASN 86 HD21 ASN 86 -4.137 9.172 -6.225 666 HD22 ASN 86 HD22 ASN 86 -5.381 10.245 -6.816 667 H ILE 87 H ILE 87 -1.015 6.575 -8.963 668 HA ILE 87 HA ILE 87 1.646 7.599 -8.975 669 HB ILE 87 HB ILE 87 0.367 4.855 -8.975 670 HG12 ILE 87 HG12 ILE 87 2.177 6.257 -6.972 671 HG13 ILE 87 HG13 ILE 87 0.435 6.561 -7.036 672 HG21 ILE 87 HG21 ILE 87 3.359 5.389 -9.043 673 HG22 ILE 87 HG22 ILE 87 2.598 3.854 -8.574 674 HG23 ILE 87 HG23 ILE 87 2.414 4.447 -10.217 675 HD11 ILE 87 HD11 ILE 87 1.731 3.960 -6.384 676 HD12 ILE 87 HD12 ILE 87 0.730 5.020 -5.372 677 HD13 ILE 87 HD13 ILE 87 -0.015 4.159 -6.731 678 H LYS 88 H LYS 88 -0.158 5.765 -11.545 679 HA LYS 88 HA LYS 88 2.048 5.763 -13.286 680 HB2 LYS 88 HB2 LYS 88 -0.448 4.657 -13.409 681 HB3 LYS 88 HB3 LYS 88 -0.690 6.008 -14.504 682 HG2 LYS 88 HG2 LYS 88 0.026 4.149 -15.817 683 HG3 LYS 88 HG3 LYS 88 1.400 5.258 -15.764 684 HD2 LYS 88 HD2 LYS 88 2.509 3.835 -14.063 685 HD3 LYS 88 HD3 LYS 88 1.054 2.869 -13.890 686 HE2 LYS 88 HE2 LYS 88 2.476 1.580 -15.261 687 HE3 LYS 88 HE3 LYS 88 1.239 2.238 -16.331 688 HZ1 LYS 88 HZ1 LYS 88 2.881 3.926 -17.018 689 HZ2 LYS 88 HZ2 LYS 88 3.425 2.404 -17.292 690 HZ3 LYS 88 HZ3 LYS 88 4.021 3.228 -16.033 691 H GLN 89 H GLN 89 -0.365 8.330 -12.720 692 HA GLN 89 HA GLN 89 0.448 9.889 -14.981 693 HB2 GLN 89 HB2 GLN 89 -0.897 10.772 -12.391 694 HB3 GLN 89 HB3 GLN 89 -0.596 11.790 -13.798 695 HG2 GLN 89 HG2 GLN 89 -1.898 10.003 -15.162 696 HG3 GLN 89 HG3 GLN 89 -2.456 9.394 -13.611 697 HE21 GLN 89 HE21 GLN 89 -4.640 10.091 -13.476 698 HE22 GLN 89 HE22 GLN 89 -5.113 11.750 -13.801 699 H LYS 90 H LYS 90 2.114 9.322 -11.974 700 HA LYS 90 HA LYS 90 3.627 11.828 -11.994 701 HB2 LYS 90 HB2 LYS 90 4.456 9.242 -10.608 702 HB3 LYS 90 HB3 LYS 90 4.957 10.885 -10.222 703 HG2 LYS 90 HG2 LYS 90 2.252 9.605 -9.789 704 HG3 LYS 90 HG3 LYS 90 3.405 10.068 -8.553 705 HD2 LYS 90 HD2 LYS 90 3.010 12.435 -8.976 706 HD3 LYS 90 HD3 LYS 90 2.041 12.051 -10.412 707 HE2 LYS 90 HE2 LYS 90 0.451 10.759 -8.964 708 HE3 LYS 90 HE3 LYS 90 1.311 11.340 -7.543 709 HZ1 LYS 90 HZ1 LYS 90 0.760 13.614 -8.229 710 HZ2 LYS 90 HZ2 LYS 90 -0.634 12.715 -8.189 711 HZ3 LYS 90 HZ3 LYS 90 0.080 13.068 -9.613 712 H GLY 91 H GLY 91 3.958 11.412 -14.496 713 HA2 GLY 91 HA2 GLY 91 5.676 11.371 -16.063 714 HA3 GLY 91 HA3 GLY 91 6.766 10.660 -14.865 715 H GLY 92 H GLY 92 4.986 8.465 -14.142 716 HA2 GLY 92 HA2 GLY 92 4.394 6.358 -14.675 717 HA3 GLY 92 HA3 GLY 92 4.089 6.912 -16.317 718 H SER 93 H SER 93 7.373 7.215 -15.030 719 HA SER 93 HA SER 93 8.469 5.689 -17.166 720 HB2 SER 93 HB2 SER 93 10.591 6.028 -15.852 721 HB3 SER 93 HB3 SER 93 9.652 7.495 -16.168 722 HG SER 93 HG SER 93 10.145 7.690 -14.133 723 H GLY 94 H GLY 94 8.891 5.004 -13.733 724 HA2 GLY 94 HA2 GLY 94 7.889 2.852 -12.815 725 HA3 GLY 94 HA3 GLY 94 8.659 2.054 -14.187 726 H GLY 95 H GLY 95 9.143 3.715 -11.163 727 HA2 GLY 95 HA2 GLY 95 10.902 3.857 -9.690 728 HA3 GLY 95 HA3 GLY 95 11.537 2.414 -10.477 729 H GLY 96 H GLY 96 11.183 5.219 -12.533 730 HA2 GLY 96 HA2 GLY 96 12.754 6.531 -13.609 731 HA3 GLY 96 HA3 GLY 96 13.582 6.602 -12.045 732 H THR 97 H THR 97 13.059 3.554 -13.819 733 HA THR 97 HA THR 97 14.463 1.990 -14.589 734 HB THR 97 HB THR 97 16.142 2.611 -16.214 735 HG1 THR 97 HG1 THR 97 16.012 5.066 -14.907 736 HG21 THR 97 HG21 THR 97 13.732 4.470 -16.445 737 HG22 THR 97 HG22 THR 97 13.780 2.758 -16.916 738 HG23 THR 97 HG23 THR 97 14.795 3.934 -17.760 739 H GLY 98 H GLY 98 14.829 2.760 -11.840 740 HA2 GLY 98 HA2 GLY 98 16.346 1.495 -10.422 741 HA3 GLY 98 HA3 GLY 98 17.691 2.028 -11.406 742 H GLY 99 H GLY 99 16.647 4.837 -11.700 743 HA2 GLY 99 HA2 GLY 99 16.784 6.835 -10.615 744 HA3 GLY 99 HA3 GLY 99 16.229 6.016 -9.147 745 H GLY 100 H GLY 100 19.161 4.750 -10.590 746 HA2 GLY 100 HA2 GLY 100 21.411 5.235 -10.174 747 HA3 GLY 100 HA3 GLY 100 20.961 6.397 -8.937 748 H SER 101 H SER 101 20.114 2.904 -9.402 749 HA SER 101 HA SER 101 20.093 2.198 -6.719 750 HB2 SER 101 HB2 SER 101 20.875 0.341 -8.999 751 HB3 SER 101 HB3 SER 101 19.973 -0.050 -7.528 752 HG SER 101 HG SER 101 18.266 1.214 -8.297 753 H GLY 102 H GLY 102 21.792 2.360 -5.287 754 HA2 GLY 102 HA2 GLY 102 23.824 1.391 -4.492 755 HA3 GLY 102 HA3 GLY 102 24.487 1.386 -6.116 756 H THR 103 H THR 103 22.933 4.344 -5.818 757 HA THR 103 HA THR 103 25.511 5.655 -5.098 758 HB THR 103 HB THR 103 24.641 7.618 -6.162 759 HG1 THR 103 HG1 THR 103 22.275 6.105 -6.620 760 HG21 THR 103 HG21 THR 103 24.593 6.874 -8.472 761 HG22 THR 103 HG22 THR 103 24.161 5.221 -7.988 762 HG23 THR 103 HG23 THR 103 25.753 5.881 -7.567 763 H ILE 104 H ILE 104 25.002 7.936 -3.908 764 HA ILE 104 HA ILE 104 24.004 7.166 -1.358 765 HB ILE 104 HB ILE 104 25.799 8.801 -1.773 766 HG12 ILE 104 HG12 ILE 104 23.483 9.928 -0.157 767 HG13 ILE 104 HG13 ILE 104 24.583 8.651 0.364 768 HG21 ILE 104 HG21 ILE 104 24.730 10.012 -3.721 769 HG22 ILE 104 HG22 ILE 104 23.642 10.804 -2.568 770 HG23 ILE 104 HG23 ILE 104 25.390 11.070 -2.483 771 HD11 ILE 104 HD11 ILE 104 26.497 10.331 -0.039 772 HD12 ILE 104 HD12 ILE 104 25.203 11.551 -0.171 773 HD13 ILE 104 HD13 ILE 104 25.418 10.657 1.324 774 H GLU 105 H GLU 105 22.484 8.498 -4.159 775 HA GLU 105 HA GLU 105 19.983 9.148 -2.725 776 HB2 GLU 105 HB2 GLU 105 19.465 10.451 -4.770 777 HB3 GLU 105 HB3 GLU 105 20.943 10.985 -3.975 778 HG2 GLU 105 HG2 GLU 105 22.285 9.660 -5.637 779 HG3 GLU 105 HG3 GLU 105 20.781 9.234 -6.457 780 H GLY 106 H GLY 106 18.010 8.678 -4.392 781 HA2 GLY 106 HA2 GLY 106 16.771 7.095 -5.513 782 HA3 GLY 106 HA3 GLY 106 18.269 6.248 -5.948 783 H ARG 107 H ARG 107 17.790 6.895 -2.592 784 HA ARG 107 HA ARG 107 18.029 4.247 -1.680 785 HB2 ARG 107 HB2 ARG 107 18.365 6.406 -0.394 786 HB3 ARG 107 HB3 ARG 107 16.611 6.486 -0.184 787 HG2 ARG 107 HG2 ARG 107 16.716 4.147 0.814 788 HG3 ARG 107 HG3 ARG 107 18.478 4.244 0.698 789 HD2 ARG 107 HD2 ARG 107 16.694 6.063 2.355 790 HD3 ARG 107 HD3 ARG 107 17.640 4.703 2.955 791 HE ARG 107 HE ARG 107 19.621 5.825 2.676 792 HH11 ARG 107 HH11 ARG 107 16.885 8.025 1.982 793 HH12 ARG 107 HH12 ARG 107 17.883 9.365 1.573 794 HH21 ARG 107 HH21 ARG 107 20.947 7.622 2.104 795 HH22 ARG 107 HH22 ARG 107 20.232 9.151 1.731 796 H GLY 108 H GLY 108 16.626 2.611 -2.259 797 HA2 GLY 108 HA2 GLY 108 13.971 2.516 -1.320 798 HA3 GLY 108 HA3 GLY 108 13.905 3.057 -2.995 799 H ASP 109 H ASP 109 16.581 0.837 -2.402 800 HA ASP 109 HA ASP 109 15.058 -1.569 -3.049 801 HB2 ASP 109 HB2 ASP 109 15.619 -0.566 -5.263 802 HB3 ASP 109 HB3 ASP 109 17.303 -0.475 -4.783 803 H GLY 110 H GLY 110 17.029 -3.374 -3.189 804 HA2 GLY 110 HA2 GLY 110 19.137 -3.990 -2.337 805 HA3 GLY 110 HA3 GLY 110 19.034 -2.769 -1.061 806 H GLY 111 H GLY 111 16.157 -4.627 -1.592 807 HA2 GLY 111 HA2 GLY 111 15.906 -6.956 -0.600 808 HA3 GLY 111 HA3 GLY 111 16.760 -6.327 0.804 809 H THR 112 H THR 112 14.187 -4.942 -1.317 810 HA THR 112 HA THR 112 12.388 -3.661 -0.809 811 HB THR 112 HB THR 112 10.687 -4.933 0.630 812 HG1 THR 112 HG1 THR 112 12.006 -6.238 1.796 813 HG21 THR 112 HG21 THR 112 10.372 -6.654 -1.142 814 HG22 THR 112 HG22 THR 112 11.910 -6.131 -1.874 815 HG23 THR 112 HG23 THR 112 10.562 -4.989 -1.716 816 H THR 113 H THR 113 14.731 -3.155 0.996 817 HA THR 113 HA THR 113 14.249 -2.669 3.527 818 HB THR 113 HB THR 113 15.715 -0.636 1.849 819 HG1 THR 113 HG1 THR 113 16.445 -3.296 2.528 820 HG21 THR 113 HG21 THR 113 16.351 -1.947 4.544 821 HG22 THR 113 HG22 THR 113 15.765 -0.292 4.318 822 HG23 THR 113 HG23 THR 113 17.359 -0.749 3.701 823 H PHE 114 H PHE 114 12.573 -0.760 1.083 824 HA PHE 114 HA PHE 114 11.900 1.423 2.728 825 HB2 PHE 114 HB2 PHE 114 10.317 2.060 1.218 826 HB3 PHE 114 HB3 PHE 114 11.501 1.235 0.233 827 HD1 PHE 114 HD1 PHE 114 8.109 1.712 0.732 828 HD2 PHE 114 HD2 PHE 114 10.900 -1.473 -0.023 829 HE1 PHE 114 HE1 PHE 114 6.285 0.327 -0.289 830 HE2 PHE 114 HE2 PHE 114 9.113 -2.835 -1.039 831 HZ PHE 114 HZ PHE 114 6.810 -1.973 -1.162 832 H GLU 115 H GLU 115 10.838 -1.913 2.874 833 HA GLU 115 HA GLU 115 8.460 -1.825 4.367 834 HB2 GLU 115 HB2 GLU 115 9.123 -4.063 5.054 835 HB3 GLU 115 HB3 GLU 115 9.643 -3.843 3.383 836 HG2 GLU 115 HG2 GLU 115 11.980 -3.267 4.350 837 HG3 GLU 115 HG3 GLU 115 11.366 -3.739 5.890 838 H HIS 116 H HIS 116 11.744 -0.954 5.332 839 HA HIS 116 HA HIS 116 11.443 -1.236 8.092 840 HB2 HIS 116 HB2 HIS 116 13.446 -0.273 8.339 841 HB3 HIS 116 HB3 HIS 116 13.581 -0.675 6.654 842 HD1 HIS 116 HD1 HIS 116 13.250 2.268 9.061 843 HD2 HIS 116 HD2 HIS 116 13.547 1.555 4.898 844 HE1 HIS 116 HE1 HIS 116 13.730 4.511 7.966 845 H LEU 117 H LEU 117 10.083 1.169 5.940 846 HA LEU 117 HA LEU 117 9.667 3.280 7.842 847 HB2 LEU 117 HB2 LEU 117 8.464 2.623 5.125 848 HB3 LEU 117 HB3 LEU 117 7.819 3.901 6.130 849 HG LEU 117 HG LEU 117 10.284 4.808 6.221 850 HD11 LEU 117 HD11 LEU 117 11.272 2.837 4.992 851 HD12 LEU 117 HD12 LEU 117 11.601 4.384 4.211 852 HD13 LEU 117 HD13 LEU 117 10.339 3.292 3.561 853 HD21 LEU 117 HD21 LEU 117 8.706 4.977 3.638 854 HD22 LEU 117 HD22 LEU 117 9.874 6.173 4.245 855 HD23 LEU 117 HD23 LEU 117 8.338 5.923 5.106 856 H TRP 118 H TRP 118 8.043 0.190 7.457 857 HA TRP 118 HA TRP 118 5.474 1.080 8.375 858 HB2 TRP 118 HB2 TRP 118 6.747 -1.659 8.433 859 HB3 TRP 118 HB3 TRP 118 5.054 -1.325 8.741 860 HD1 TRP 118 HD1 TRP 118 6.862 -2.751 6.199 861 HE1 TRP 118 HE1 TRP 118 5.884 -2.446 3.862 862 HE3 TRP 118 HE3 TRP 118 3.641 1.110 7.184 863 HZ2 TRP 118 HZ2 TRP 118 3.999 -0.694 2.546 864 HZ3 TRP 118 HZ3 TRP 118 2.268 2.072 5.366 865 HH2 TRP 118 HH2 TRP 118 2.452 1.232 3.040 866 H SER 119 H SER 119 8.441 0.261 10.051 867 HA SER 119 HA SER 119 7.278 -0.032 12.637 868 HB2 SER 119 HB2 SER 119 9.504 -0.847 11.649 869 HB3 SER 119 HB3 SER 119 10.151 0.748 12.067 870 HG SER 119 HG SER 119 10.507 -0.853 13.640 871 H SER 120 H SER 120 6.992 2.655 10.945 872 HA SER 120 HA SER 120 7.603 4.609 13.117 873 HB2 SER 120 HB2 SER 120 8.760 4.963 10.957 874 HB3 SER 120 HB3 SER 120 7.192 4.941 10.136 875 HG SER 120 HG SER 120 6.740 6.745 11.672 876 H LEU 121 H LEU 121 5.087 2.709 12.098 877 HA LEU 121 HA LEU 121 2.959 4.774 12.030 878 HB2 LEU 121 HB2 LEU 121 3.105 1.774 11.483 879 HB3 LEU 121 HB3 LEU 121 1.570 2.521 11.850 880 HG LEU 121 HG LEU 121 1.826 4.096 9.953 881 HD11 LEU 121 HD11 LEU 121 4.330 2.484 9.445 882 HD12 LEU 121 HD12 LEU 121 4.193 4.228 9.591 883 HD13 LEU 121 HD13 LEU 121 3.530 3.397 8.167 884 HD21 LEU 121 HD21 LEU 121 1.332 2.421 8.215 885 HD22 LEU 121 HD22 LEU 121 0.558 1.980 9.741 886 HD23 LEU 121 HD23 LEU 121 2.022 1.138 9.237 887 H GLU 122 H GLU 122 0.956 3.602 13.406 888 HA GLU 122 HA GLU 122 1.781 4.060 16.165 889 HB2 GLU 122 HB2 GLU 122 -0.649 3.665 16.599 890 HB3 GLU 122 HB3 GLU 122 -0.312 5.033 15.541 891 HG2 GLU 122 HG2 GLU 122 -1.078 3.866 13.600 892 HG3 GLU 122 HG3 GLU 122 -1.081 2.316 14.431 893 HA PRO 123 HA PRO 123 2.480 -0.288 16.688 894 HB2 PRO 123 HB2 PRO 123 2.147 -0.653 19.388 895 HB3 PRO 123 HB3 PRO 123 3.529 0.221 18.665 896 HG2 PRO 123 HG2 PRO 123 0.972 1.415 19.762 897 HG3 PRO 123 HG3 PRO 123 2.662 1.890 20.143 898 HD2 PRO 123 HD2 PRO 123 1.202 3.231 18.275 899 HD3 PRO 123 HD3 PRO 123 2.935 2.890 17.995 900 H ASP 124 H ASP 124 -0.650 1.067 17.527 901 HA ASP 124 HA ASP 124 -1.888 -1.592 17.887 902 HB2 ASP 124 HB2 ASP 124 -3.016 1.228 17.953 903 HB3 ASP 124 HB3 ASP 124 -3.985 -0.230 18.186 904 H SER 125 H SER 125 -1.024 0.233 15.239 905 HA SER 125 HA SER 125 -2.138 0.798 13.264 906 HB2 SER 125 HB2 SER 125 -0.154 -0.884 13.339 907 HB3 SER 125 HB3 SER 125 -1.337 -2.045 12.718 908 HG SER 125 HG SER 125 -0.125 -0.795 11.124 909 H THR 126 H THR 126 -4.328 1.078 13.952 910 HA THR 126 HA THR 126 -6.281 -1.042 13.624 911 HB THR 126 HB THR 126 -6.539 0.948 15.078 912 HG1 THR 126 HG1 THR 126 -8.581 0.695 14.905 913 HG21 THR 126 HG21 THR 126 -7.069 2.511 12.509 914 HG22 THR 126 HG22 THR 126 -5.650 2.696 13.566 915 HG23 THR 126 HG23 THR 126 -7.251 3.090 14.183 916 H TYR 127 H TYR 127 -4.446 0.454 11.295 917 HA TYR 127 HA TYR 127 -6.499 -0.047 9.188 918 HB2 TYR 127 HB2 TYR 127 -5.780 1.990 8.067 919 HB3 TYR 127 HB3 TYR 127 -6.464 2.305 9.633 920 HD1 TYR 127 HD1 TYR 127 -3.366 2.369 7.635 921 HD2 TYR 127 HD2 TYR 127 -5.108 3.171 11.477 922 HE1 TYR 127 HE1 TYR 127 -1.278 3.480 8.330 923 HE2 TYR 127 HE2 TYR 127 -3.048 4.257 12.230 924 HH TYR 127 HH TYR 127 -0.887 4.687 11.712 925 H PHE 128 H PHE 128 -3.204 -0.807 10.168 926 HA PHE 128 HA PHE 128 -2.805 -2.029 7.518 927 HB2 PHE 128 HB2 PHE 128 -1.140 0.086 8.731 928 HB3 PHE 128 HB3 PHE 128 -0.251 -1.404 8.461 929 HD1 PHE 128 HD1 PHE 128 0.830 -1.677 6.382 930 HD2 PHE 128 HD2 PHE 128 -2.712 0.742 6.633 931 HE1 PHE 128 HE1 PHE 128 1.054 -1.095 3.995 932 HE2 PHE 128 HE2 PHE 128 -2.415 1.456 4.306 933 HZ PHE 128 HZ PHE 128 -0.564 0.495 2.918 934 H ASP 129 H ASP 129 -1.077 -3.775 7.691 935 HA ASP 129 HA ASP 129 -1.532 -5.288 10.169 936 HB2 ASP 129 HB2 ASP 129 -1.839 -6.330 7.898 937 HB3 ASP 129 HB3 ASP 129 -0.096 -6.152 7.630 938 H LEU 130 H LEU 130 0.091 -5.938 11.492 939 HA LEU 130 HA LEU 130 2.858 -5.064 11.080 940 HB2 LEU 130 HB2 LEU 130 1.590 -3.162 12.194 941 HB3 LEU 130 HB3 LEU 130 1.288 -4.211 13.555 942 HG LEU 130 HG LEU 130 3.592 -4.262 14.181 943 HD11 LEU 130 HD11 LEU 130 4.242 -2.934 11.511 944 HD12 LEU 130 HD12 LEU 130 4.738 -4.549 12.056 945 HD13 LEU 130 HD13 LEU 130 5.387 -3.124 12.855 946 HD21 LEU 130 HD21 LEU 130 2.352 -2.139 14.669 947 HD22 LEU 130 HD22 LEU 130 2.962 -1.439 13.169 948 HD23 LEU 130 HD23 LEU 130 4.084 -1.863 14.469
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