NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
275534 | 2kpw | 16572 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -28.189 0.700 -19.451 2 H2 MET 1 H2 MET 1 -28.482 -0.156 -20.883 3 H3 MET 1 H3 MET 1 -29.221 1.341 -20.626 4 HA MET 1 HA MET 1 -27.371 1.495 -22.184 5 HB2 MET 1 HB2 MET 1 -28.067 3.375 -20.645 6 HB3 MET 1 HB3 MET 1 -26.778 2.883 -19.556 7 HG2 MET 1 HG2 MET 1 -25.129 3.351 -21.309 8 HG3 MET 1 HG3 MET 1 -26.430 3.860 -22.388 9 HE1 MET 1 HE1 MET 1 -25.320 6.217 -22.825 10 HE2 MET 1 HE2 MET 1 -23.954 5.720 -21.828 11 HE3 MET 1 HE3 MET 1 -24.733 7.273 -21.539 12 H GLY 2 H GLY 2 -26.516 -0.787 -22.051 13 HA2 GLY 2 HA2 GLY 2 -24.399 -1.226 -20.078 14 HA3 GLY 2 HA3 GLY 2 -25.127 -2.440 -21.110 15 H HIS 3 H HIS 3 -22.722 0.120 -20.943 16 HA HIS 3 HA HIS 3 -21.449 -0.927 -23.382 17 HB2 HIS 3 HB2 HIS 3 -19.898 1.038 -23.110 18 HB3 HIS 3 HB3 HIS 3 -21.583 1.464 -23.371 19 HD1 HIS 3 HD1 HIS 3 -22.775 2.751 -21.532 20 HD2 HIS 3 HD2 HIS 3 -18.913 1.605 -20.504 21 HE1 HIS 3 HE1 HIS 3 -22.252 3.980 -19.405 22 HE2 HIS 3 HE2 HIS 3 -19.838 3.445 -18.937 23 H HIS 4 H HIS 4 -21.548 -2.194 -20.597 24 HA HIS 4 HA HIS 4 -18.989 -3.387 -20.648 25 HB2 HIS 4 HB2 HIS 4 -18.063 -2.585 -18.532 26 HB3 HIS 4 HB3 HIS 4 -18.279 -1.248 -19.651 27 HD1 HIS 4 HD1 HIS 4 -18.236 -1.350 -16.365 28 HD2 HIS 4 HD2 HIS 4 -21.448 -0.576 -18.887 29 HE1 HIS 4 HE1 HIS 4 -19.862 -0.018 -14.995 30 HE2 HIS 4 HE2 HIS 4 -21.712 0.581 -16.588 31 H HIS 5 H HIS 5 -18.819 -5.183 -19.169 32 HA HIS 5 HA HIS 5 -21.464 -6.210 -18.515 33 HB2 HIS 5 HB2 HIS 5 -19.653 -7.515 -19.764 34 HB3 HIS 5 HB3 HIS 5 -18.839 -7.681 -18.213 35 HD1 HIS 5 HD1 HIS 5 -19.796 -9.411 -16.564 36 HD2 HIS 5 HD2 HIS 5 -22.073 -8.967 -20.014 37 HE1 HIS 5 HE1 HIS 5 -21.425 -11.314 -16.547 38 HE2 HIS 5 HE2 HIS 5 -22.642 -11.137 -18.738 39 H HIS 6 H HIS 6 -21.927 -7.311 -16.468 40 HA HIS 6 HA HIS 6 -20.640 -5.950 -14.186 41 HB2 HIS 6 HB2 HIS 6 -23.336 -7.329 -14.270 42 HB3 HIS 6 HB3 HIS 6 -22.704 -6.325 -12.969 43 HD1 HIS 6 HD1 HIS 6 -23.964 -6.068 -16.521 44 HD2 HIS 6 HD2 HIS 6 -23.124 -3.618 -13.274 45 HE1 HIS 6 HE1 HIS 6 -24.848 -3.806 -17.143 46 HE2 HIS 6 HE2 HIS 6 -24.425 -2.365 -15.124 47 H HIS 7 H HIS 7 -20.495 -7.212 -12.139 48 HA HIS 7 HA HIS 7 -20.676 -10.065 -12.164 49 HB2 HIS 7 HB2 HIS 7 -18.578 -9.736 -13.484 50 HB3 HIS 7 HB3 HIS 7 -17.872 -8.903 -12.104 51 HD1 HIS 7 HD1 HIS 7 -16.367 -10.380 -10.828 52 HD2 HIS 7 HD2 HIS 7 -19.507 -12.514 -12.526 53 HE1 HIS 7 HE1 HIS 7 -15.997 -12.770 -10.162 54 HE2 HIS 7 HE2 HIS 7 -17.943 -14.032 -11.131 55 H HIS 8 H HIS 8 -21.325 -10.512 -10.148 56 HA HIS 8 HA HIS 8 -20.894 -8.582 -8.022 57 HB2 HIS 8 HB2 HIS 8 -22.442 -11.186 -8.008 58 HB3 HIS 8 HB3 HIS 8 -22.458 -9.976 -6.727 59 HD1 HIS 8 HD1 HIS 8 -23.660 -7.701 -7.276 60 HD2 HIS 8 HD2 HIS 8 -24.124 -10.658 -10.158 61 HE1 HIS 8 HE1 HIS 8 -25.556 -6.934 -8.722 62 HE2 HIS 8 HE2 HIS 8 -25.927 -8.812 -10.350 63 H SER 9 H SER 9 -19.051 -8.648 -6.905 64 HA SER 9 HA SER 9 -18.325 -11.051 -5.458 65 HB2 SER 9 HB2 SER 9 -16.369 -9.795 -7.411 66 HB3 SER 9 HB3 SER 9 -15.921 -10.962 -6.169 67 HG SER 9 HG SER 9 -17.742 -12.241 -7.296 68 H HIS 10 H HIS 10 -17.108 -10.618 -3.585 69 HA HIS 10 HA HIS 10 -17.121 -7.849 -2.723 70 HB2 HIS 10 HB2 HIS 10 -16.361 -10.414 -1.314 71 HB3 HIS 10 HB3 HIS 10 -16.198 -8.830 -0.566 72 HD1 HIS 10 HD1 HIS 10 -18.331 -7.657 0.214 73 HD2 HIS 10 HD2 HIS 10 -19.021 -11.336 -1.594 74 HE1 HIS 10 HE1 HIS 10 -20.715 -8.227 0.739 75 HE2 HIS 10 HE2 HIS 10 -21.158 -10.367 -0.501 76 H MET 11 H MET 11 -15.529 -6.966 -4.170 77 HA MET 11 HA MET 11 -12.809 -7.875 -4.088 78 HB2 MET 11 HB2 MET 11 -13.972 -5.272 -5.110 79 HB3 MET 11 HB3 MET 11 -12.313 -5.804 -5.359 80 HG2 MET 11 HG2 MET 11 -14.803 -7.151 -6.392 81 HG3 MET 11 HG3 MET 11 -13.629 -6.234 -7.335 82 HE1 MET 11 HE1 MET 11 -13.343 -8.248 -9.059 83 HE2 MET 11 HE2 MET 11 -14.557 -9.154 -8.155 84 HE3 MET 11 HE3 MET 11 -13.015 -9.910 -8.563 85 H THR 12 H THR 12 -12.650 -7.927 -1.741 86 HA THR 12 HA THR 12 -11.409 -5.586 -0.646 87 HB THR 12 HB THR 12 -13.748 -4.934 -0.273 88 HG1 THR 12 HG1 THR 12 -13.560 -4.639 2.012 89 HG21 THR 12 HG21 THR 12 -14.765 -7.169 -0.205 90 HG22 THR 12 HG22 THR 12 -15.199 -6.235 1.226 91 HG23 THR 12 HG23 THR 12 -13.968 -7.492 1.335 92 H GLY 13 H GLY 13 -10.892 -5.988 1.786 93 HA2 GLY 13 HA2 GLY 13 -10.832 -8.658 2.751 94 HA3 GLY 13 HA3 GLY 13 -9.319 -8.288 1.942 95 H ASN 14 H ASN 14 -9.238 -8.983 4.549 96 HA ASN 14 HA ASN 14 -9.237 -6.621 6.238 97 HB2 ASN 14 HB2 ASN 14 -9.875 -8.997 6.976 98 HB3 ASN 14 HB3 ASN 14 -8.156 -9.355 6.949 99 HD21 ASN 14 HD21 ASN 14 -7.311 -6.770 7.998 100 HD22 ASN 14 HD22 ASN 14 -7.784 -6.751 9.653 101 H VAL 15 H VAL 15 -7.678 -5.647 4.608 102 HA VAL 15 HA VAL 15 -4.893 -6.480 5.032 103 HB VAL 15 HB VAL 15 -5.589 -6.172 2.705 104 HG11 VAL 15 HG11 VAL 15 -6.145 -3.968 1.811 105 HG12 VAL 15 HG12 VAL 15 -6.087 -3.284 3.437 106 HG13 VAL 15 HG13 VAL 15 -7.316 -4.481 3.025 107 HG21 VAL 15 HG21 VAL 15 -3.618 -4.075 3.632 108 HG22 VAL 15 HG22 VAL 15 -3.774 -4.679 1.980 109 HG23 VAL 15 HG23 VAL 15 -3.259 -5.764 3.273 110 H CYS 16 H CYS 16 -3.442 -5.280 6.127 111 HA CYS 16 HA CYS 16 -4.213 -2.581 7.046 112 HB2 CYS 16 HB2 CYS 16 -2.817 -4.719 8.682 113 HB3 CYS 16 HB3 CYS 16 -3.123 -3.069 9.214 114 HG CYS 16 HG CYS 16 -5.897 -3.339 9.229 115 H ILE 17 H ILE 17 -2.567 -1.057 7.168 116 HA ILE 17 HA ILE 17 -0.248 -1.486 5.545 117 HB ILE 17 HB ILE 17 -0.821 0.832 7.414 118 HG12 ILE 17 HG12 ILE 17 -1.452 0.591 4.456 119 HG13 ILE 17 HG13 ILE 17 -2.641 0.418 5.740 120 HG21 ILE 17 HG21 ILE 17 1.517 0.692 6.678 121 HG22 ILE 17 HG22 ILE 17 0.707 2.094 5.981 122 HG23 ILE 17 HG23 ILE 17 0.988 0.658 4.995 123 HD11 ILE 17 HD11 ILE 17 -1.040 2.895 5.142 124 HD12 ILE 17 HD12 ILE 17 -2.237 2.724 6.427 125 HD13 ILE 17 HD13 ILE 17 -2.734 2.623 4.737 126 H GLU 18 H GLU 18 1.189 -2.969 6.382 127 HA GLU 18 HA GLU 18 1.790 -3.314 9.114 128 HB2 GLU 18 HB2 GLU 18 2.288 -5.055 7.458 129 HB3 GLU 18 HB3 GLU 18 3.491 -4.016 6.704 130 HG2 GLU 18 HG2 GLU 18 4.663 -3.999 8.980 131 HG3 GLU 18 HG3 GLU 18 3.598 -5.333 9.407 132 H GLU 19 H GLU 19 3.727 -1.741 6.565 133 HA GLU 19 HA GLU 19 4.784 0.235 8.350 134 HB2 GLU 19 HB2 GLU 19 6.100 -1.638 9.131 135 HB3 GLU 19 HB3 GLU 19 6.539 -2.073 7.486 136 HG2 GLU 19 HG2 GLU 19 7.839 -0.014 7.279 137 HG3 GLU 19 HG3 GLU 19 7.376 0.446 8.920 138 H ILE 20 H ILE 20 5.735 1.923 7.254 139 HA ILE 20 HA ILE 20 5.895 1.712 4.321 140 HB ILE 20 HB ILE 20 5.950 4.213 6.035 141 HG12 ILE 20 HG12 ILE 20 3.636 3.057 4.443 142 HG13 ILE 20 HG13 ILE 20 3.790 2.962 6.194 143 HG21 ILE 20 HG21 ILE 20 5.590 3.851 3.054 144 HG22 ILE 20 HG22 ILE 20 7.027 4.484 3.857 145 HG23 ILE 20 HG23 ILE 20 5.515 5.385 3.921 146 HD11 ILE 20 HD11 ILE 20 3.540 5.487 4.576 147 HD12 ILE 20 HD12 ILE 20 3.701 5.399 6.330 148 HD13 ILE 20 HD13 ILE 20 2.272 4.731 5.542 149 H ASP 21 H ASP 21 7.823 2.110 3.234 150 HA ASP 21 HA ASP 21 10.204 1.444 4.529 151 HB2 ASP 21 HB2 ASP 21 9.928 1.090 2.157 152 HB3 ASP 21 HB3 ASP 21 9.766 2.824 1.873 153 H VAL 22 H VAL 22 11.871 2.560 5.412 154 HA VAL 22 HA VAL 22 11.346 5.163 6.436 155 HB VAL 22 HB VAL 22 12.622 3.464 7.685 156 HG11 VAL 22 HG11 VAL 22 14.818 3.995 5.680 157 HG12 VAL 22 HG12 VAL 22 13.896 2.501 5.838 158 HG13 VAL 22 HG13 VAL 22 14.969 3.015 7.140 159 HG21 VAL 22 HG21 VAL 22 14.383 4.965 8.554 160 HG22 VAL 22 HG22 VAL 22 12.842 5.795 8.338 161 HG23 VAL 22 HG23 VAL 22 14.140 6.028 7.167 162 H ASP 23 H ASP 23 13.129 4.050 3.633 163 HA ASP 23 HA ASP 23 14.487 6.596 3.267 164 HB2 ASP 23 HB2 ASP 23 15.446 4.322 2.619 165 HB3 ASP 23 HB3 ASP 23 14.304 4.321 1.280 166 H GLY 24 H GLY 24 11.558 5.035 2.262 167 HA2 GLY 24 HA2 GLY 24 9.671 6.284 1.505 168 HA3 GLY 24 HA3 GLY 24 10.759 7.477 0.817 169 H LYS 25 H LYS 25 11.163 4.028 0.365 170 HA LYS 25 HA LYS 25 10.965 4.368 -2.520 171 HB2 LYS 25 HB2 LYS 25 11.709 1.919 -0.909 172 HB3 LYS 25 HB3 LYS 25 11.905 2.119 -2.646 173 HG2 LYS 25 HG2 LYS 25 13.528 3.902 -2.262 174 HG3 LYS 25 HG3 LYS 25 13.323 3.717 -0.518 175 HD2 LYS 25 HD2 LYS 25 14.156 1.425 -0.646 176 HD3 LYS 25 HD3 LYS 25 14.317 1.567 -2.400 177 HE2 LYS 25 HE2 LYS 25 15.824 3.147 -0.313 178 HE3 LYS 25 HE3 LYS 25 16.477 1.871 -1.341 179 HZ1 LYS 25 HZ1 LYS 25 15.496 4.539 -2.195 180 HZ2 LYS 25 HZ2 LYS 25 15.897 3.297 -3.274 181 HZ3 LYS 25 HZ3 LYS 25 17.085 3.957 -2.270 182 H PHE 26 H PHE 26 9.352 2.451 0.029 183 HA PHE 26 HA PHE 26 7.232 1.773 -1.875 184 HB2 PHE 26 HB2 PHE 26 7.357 -0.625 -1.311 185 HB3 PHE 26 HB3 PHE 26 8.820 -0.050 -2.097 186 HD1 PHE 26 HD1 PHE 26 7.375 -1.055 1.169 187 HD2 PHE 26 HD2 PHE 26 10.931 -0.190 -1.020 188 HE1 PHE 26 HE1 PHE 26 8.728 -1.984 2.999 189 HE2 PHE 26 HE2 PHE 26 12.285 -1.122 0.811 190 HZ PHE 26 HZ PHE 26 11.183 -2.021 2.823 191 H ILE 27 H ILE 27 5.338 0.827 -0.959 192 HA ILE 27 HA ILE 27 4.937 1.303 1.939 193 HB ILE 27 HB ILE 27 2.842 1.334 -0.256 194 HG12 ILE 27 HG12 ILE 27 3.978 3.680 1.296 195 HG13 ILE 27 HG13 ILE 27 4.429 3.267 -0.355 196 HG21 ILE 27 HG21 ILE 27 2.645 2.033 2.677 197 HG22 ILE 27 HG22 ILE 27 1.942 0.621 1.888 198 HG23 ILE 27 HG23 ILE 27 1.356 2.237 1.489 199 HD11 ILE 27 HD11 ILE 27 2.136 3.659 -1.086 200 HD12 ILE 27 HD12 ILE 27 2.814 5.081 -0.293 201 HD13 ILE 27 HD13 ILE 27 1.672 4.051 0.571 202 H ARG 28 H ARG 28 4.530 -0.545 3.120 203 HA ARG 28 HA ARG 28 3.929 -2.982 1.584 204 HB2 ARG 28 HB2 ARG 28 6.005 -3.125 2.787 205 HB3 ARG 28 HB3 ARG 28 5.224 -2.654 4.291 206 HG2 ARG 28 HG2 ARG 28 4.231 -4.719 4.586 207 HG3 ARG 28 HG3 ARG 28 4.280 -5.107 2.864 208 HD2 ARG 28 HD2 ARG 28 6.721 -4.924 4.638 209 HD3 ARG 28 HD3 ARG 28 5.878 -6.426 4.251 210 HE ARG 28 HE ARG 28 6.469 -5.214 1.840 211 HH11 ARG 28 HH11 ARG 28 8.252 -6.477 4.505 212 HH12 ARG 28 HH12 ARG 28 9.599 -6.925 3.520 213 HH21 ARG 28 HH21 ARG 28 8.167 -5.809 0.596 214 HH22 ARG 28 HH22 ARG 28 9.537 -6.579 1.317 215 H LEU 29 H LEU 29 1.854 -3.428 1.515 216 HA LEU 29 HA LEU 29 0.112 -3.059 3.826 217 HB2 LEU 29 HB2 LEU 29 -0.433 -4.091 1.033 218 HB3 LEU 29 HB3 LEU 29 -1.653 -3.962 2.283 219 HG LEU 29 HG LEU 29 -1.216 -1.475 2.339 220 HD11 LEU 29 HD11 LEU 29 1.000 -1.426 1.363 221 HD12 LEU 29 HD12 LEU 29 -0.115 -0.465 0.392 222 HD13 LEU 29 HD13 LEU 29 0.375 -2.069 -0.155 223 HD21 LEU 29 HD21 LEU 29 -3.133 -2.448 1.162 224 HD22 LEU 29 HD22 LEU 29 -2.156 -2.609 -0.299 225 HD23 LEU 29 HD23 LEU 29 -2.527 -1.009 0.346 226 H LYS 30 H LYS 30 -1.204 -4.891 4.642 227 HA LYS 30 HA LYS 30 0.077 -7.522 4.347 228 HB2 LYS 30 HB2 LYS 30 1.219 -6.199 6.151 229 HB3 LYS 30 HB3 LYS 30 -0.303 -6.160 7.023 230 HG2 LYS 30 HG2 LYS 30 -0.263 -8.553 7.301 231 HG3 LYS 30 HG3 LYS 30 1.180 -8.681 6.286 232 HD2 LYS 30 HD2 LYS 30 2.349 -7.181 7.938 233 HD3 LYS 30 HD3 LYS 30 0.937 -7.340 8.982 234 HE2 LYS 30 HE2 LYS 30 1.285 -9.736 9.136 235 HE3 LYS 30 HE3 LYS 30 2.625 -9.638 7.992 236 HZ1 LYS 30 HZ1 LYS 30 2.532 -8.407 10.692 237 HZ2 LYS 30 HZ2 LYS 30 3.805 -8.229 9.589 238 HZ3 LYS 30 HZ3 LYS 30 3.447 -9.750 10.235 239 H ASN 31 H ASN 31 -1.607 -8.836 3.852 240 HA ASN 31 HA ASN 31 -4.264 -8.315 4.932 241 HB2 ASN 31 HB2 ASN 31 -4.098 -8.917 2.581 242 HB3 ASN 31 HB3 ASN 31 -3.285 -10.424 2.991 243 HD21 ASN 31 HD21 ASN 31 -4.479 -12.143 3.733 244 HD22 ASN 31 HD22 ASN 31 -6.209 -12.163 3.727 245 H THR 32 H THR 32 -4.615 -8.962 6.956 246 HA THR 32 HA THR 32 -3.558 -11.579 7.853 247 HB THR 32 HB THR 32 -2.722 -9.693 9.168 248 HG1 THR 32 HG1 THR 32 -4.620 -11.307 10.574 249 HG21 THR 32 HG21 THR 32 -5.622 -9.112 9.810 250 HG22 THR 32 HG22 THR 32 -4.549 -8.104 8.836 251 HG23 THR 32 HG23 THR 32 -4.226 -8.331 10.555 252 H SER 33 H SER 33 -5.874 -11.579 6.302 253 HA SER 33 HA SER 33 -8.219 -11.614 8.006 254 HB2 SER 33 HB2 SER 33 -9.422 -12.250 5.944 255 HB3 SER 33 HB3 SER 33 -8.410 -10.825 5.697 256 HG SER 33 HG SER 33 -8.379 -12.805 4.157 257 H GLU 34 H GLU 34 -9.774 -13.555 7.626 258 HA GLU 34 HA GLU 34 -8.410 -15.992 8.465 259 HB2 GLU 34 HB2 GLU 34 -11.357 -15.374 8.164 260 HB3 GLU 34 HB3 GLU 34 -10.688 -16.824 8.901 261 HG2 GLU 34 HG2 GLU 34 -9.744 -15.528 10.701 262 HG3 GLU 34 HG3 GLU 34 -10.261 -14.025 9.932 263 H GLN 35 H GLN 35 -9.270 -14.701 5.507 264 HA GLN 35 HA GLN 35 -9.368 -17.300 4.191 265 HB2 GLN 35 HB2 GLN 35 -11.716 -16.833 4.763 266 HB3 GLN 35 HB3 GLN 35 -11.613 -15.275 3.958 267 HG2 GLN 35 HG2 GLN 35 -11.292 -16.385 1.812 268 HG3 GLN 35 HG3 GLN 35 -11.340 -17.958 2.608 269 HE21 GLN 35 HE21 GLN 35 -13.310 -18.726 3.400 270 HE22 GLN 35 HE22 GLN 35 -14.824 -18.045 2.914 271 H ASP 36 H ASP 36 -9.070 -17.165 1.876 272 HA ASP 36 HA ASP 36 -7.199 -15.233 1.047 273 HB2 ASP 36 HB2 ASP 36 -8.880 -17.052 -0.700 274 HB3 ASP 36 HB3 ASP 36 -7.335 -16.319 -1.125 275 H GLN 37 H GLN 37 -7.622 -13.139 0.663 276 HA GLN 37 HA GLN 37 -10.323 -12.292 -0.057 277 HB2 GLN 37 HB2 GLN 37 -7.919 -10.633 0.729 278 HB3 GLN 37 HB3 GLN 37 -9.573 -10.056 0.567 279 HG2 GLN 37 HG2 GLN 37 -8.609 -12.084 2.582 280 HG3 GLN 37 HG3 GLN 37 -8.928 -10.383 2.907 281 HE21 GLN 37 HE21 GLN 37 -11.325 -10.342 1.198 282 HE22 GLN 37 HE22 GLN 37 -12.538 -11.189 2.085 283 HA PRO 38 HA PRO 38 -8.958 -11.356 -4.258 284 HB2 PRO 38 HB2 PRO 38 -11.343 -10.592 -5.243 285 HB3 PRO 38 HB3 PRO 38 -10.976 -12.286 -4.901 286 HG2 PRO 38 HG2 PRO 38 -12.576 -10.329 -3.297 287 HG3 PRO 38 HG3 PRO 38 -12.887 -12.048 -3.601 288 HD2 PRO 38 HD2 PRO 38 -11.749 -11.036 -1.291 289 HD3 PRO 38 HD3 PRO 38 -11.564 -12.707 -1.857 290 H MET 39 H MET 39 -7.796 -9.551 -4.601 291 HA MET 39 HA MET 39 -8.254 -7.040 -3.424 292 HB2 MET 39 HB2 MET 39 -6.044 -7.592 -4.135 293 HB3 MET 39 HB3 MET 39 -6.574 -7.891 -5.784 294 HG2 MET 39 HG2 MET 39 -5.342 -5.794 -5.582 295 HG3 MET 39 HG3 MET 39 -7.003 -5.530 -6.109 296 HE1 MET 39 HE1 MET 39 -4.441 -5.239 -3.161 297 HE2 MET 39 HE2 MET 39 -5.672 -6.289 -2.457 298 HE3 MET 39 HE3 MET 39 -5.458 -4.648 -1.847 299 H GLY 40 H GLY 40 -8.823 -8.078 -6.800 300 HA2 GLY 40 HA2 GLY 40 -10.361 -7.322 -8.344 301 HA3 GLY 40 HA3 GLY 40 -11.113 -6.380 -7.070 302 H GLY 41 H GLY 41 -10.166 -4.275 -6.550 303 HA2 GLY 41 HA2 GLY 41 -8.139 -3.097 -8.157 304 HA3 GLY 41 HA3 GLY 41 -9.717 -2.702 -8.817 305 H TRP 42 H TRP 42 -8.258 -2.827 -5.545 306 HA TRP 42 HA TRP 42 -9.705 -0.664 -4.475 307 HB2 TRP 42 HB2 TRP 42 -7.077 -1.938 -3.725 308 HB3 TRP 42 HB3 TRP 42 -7.720 -0.568 -2.827 309 HD1 TRP 42 HD1 TRP 42 -9.821 -3.575 -4.087 310 HE1 TRP 42 HE1 TRP 42 -10.849 -4.726 -2.031 311 HE3 TRP 42 HE3 TRP 42 -7.551 -0.843 -0.411 312 HZ2 TRP 42 HZ2 TRP 42 -10.710 -4.505 0.785 313 HZ3 TRP 42 HZ3 TRP 42 -8.054 -1.374 1.937 314 HH2 TRP 42 HH2 TRP 42 -9.604 -3.170 2.520 315 H GLU 43 H GLU 43 -8.661 1.385 -3.637 316 HA GLU 43 HA GLU 43 -6.608 2.448 -5.467 317 HB2 GLU 43 HB2 GLU 43 -8.884 3.334 -6.047 318 HB3 GLU 43 HB3 GLU 43 -8.958 4.064 -4.446 319 HG2 GLU 43 HG2 GLU 43 -6.951 5.391 -4.977 320 HG3 GLU 43 HG3 GLU 43 -6.919 4.677 -6.587 321 H MET 44 H MET 44 -4.856 2.835 -4.314 322 HA MET 44 HA MET 44 -5.046 3.552 -1.480 323 HB2 MET 44 HB2 MET 44 -3.527 1.737 -2.058 324 HB3 MET 44 HB3 MET 44 -2.677 2.771 -3.196 325 HG2 MET 44 HG2 MET 44 -1.951 4.203 -1.343 326 HG3 MET 44 HG3 MET 44 -2.789 3.146 -0.208 327 HE1 MET 44 HE1 MET 44 0.118 3.402 -2.847 328 HE2 MET 44 HE2 MET 44 -0.825 2.027 -3.419 329 HE3 MET 44 HE3 MET 44 0.796 1.774 -2.774 330 H ILE 45 H ILE 45 -5.166 5.677 -1.024 331 HA ILE 45 HA ILE 45 -3.983 7.654 -2.827 332 HB ILE 45 HB ILE 45 -5.683 8.009 -0.343 333 HG12 ILE 45 HG12 ILE 45 -7.341 8.947 -2.006 334 HG13 ILE 45 HG13 ILE 45 -6.284 8.382 -3.293 335 HG21 ILE 45 HG21 ILE 45 -5.771 10.404 -0.938 336 HG22 ILE 45 HG22 ILE 45 -4.575 10.115 -2.203 337 HG23 ILE 45 HG23 ILE 45 -4.145 9.873 -0.510 338 HD11 ILE 45 HD11 ILE 45 -7.654 6.655 -1.244 339 HD12 ILE 45 HD12 ILE 45 -6.604 6.083 -2.540 340 HD13 ILE 45 HD13 ILE 45 -8.138 6.862 -2.926 341 H ARG 46 H ARG 46 -1.855 8.045 -2.555 342 HA ARG 46 HA ARG 46 -0.678 7.871 0.124 343 HB2 ARG 46 HB2 ARG 46 0.424 6.696 -1.790 344 HB3 ARG 46 HB3 ARG 46 0.738 8.263 -2.526 345 HG2 ARG 46 HG2 ARG 46 2.002 8.880 -0.442 346 HG3 ARG 46 HG3 ARG 46 1.839 7.203 0.071 347 HD2 ARG 46 HD2 ARG 46 3.999 7.487 -0.938 348 HD3 ARG 46 HD3 ARG 46 3.005 6.513 -2.018 349 HE ARG 46 HE ARG 46 3.302 8.112 -3.602 350 HH11 ARG 46 HH11 ARG 46 3.745 9.632 -0.531 351 HH12 ARG 46 HH12 ARG 46 4.189 11.143 -1.230 352 HH21 ARG 46 HH21 ARG 46 3.884 10.047 -4.467 353 HH22 ARG 46 HH22 ARG 46 4.265 11.383 -3.441 354 H LYS 47 H LYS 47 -1.035 9.734 1.219 355 HA LYS 47 HA LYS 47 -0.425 12.309 -0.031 356 HB2 LYS 47 HB2 LYS 47 -1.268 11.794 2.828 357 HB3 LYS 47 HB3 LYS 47 -1.299 13.327 1.966 358 HG2 LYS 47 HG2 LYS 47 -2.980 12.240 0.390 359 HG3 LYS 47 HG3 LYS 47 -3.085 10.936 1.576 360 HD2 LYS 47 HD2 LYS 47 -4.862 12.422 2.071 361 HD3 LYS 47 HD3 LYS 47 -3.630 12.711 3.300 362 HE2 LYS 47 HE2 LYS 47 -4.432 14.843 2.579 363 HE3 LYS 47 HE3 LYS 47 -2.817 14.637 1.898 364 HZ1 LYS 47 HZ1 LYS 47 -5.378 14.185 0.450 365 HZ2 LYS 47 HZ2 LYS 47 -3.832 14.000 -0.211 366 HZ3 LYS 47 HZ3 LYS 47 -4.369 15.528 0.267 367 H ILE 48 H ILE 48 0.993 13.853 1.322 368 HA ILE 48 HA ILE 48 3.014 12.682 2.977 369 HB ILE 48 HB ILE 48 3.852 11.755 0.925 370 HG12 ILE 48 HG12 ILE 48 5.511 14.159 1.734 371 HG13 ILE 48 HG13 ILE 48 5.519 12.587 2.526 372 HG21 ILE 48 HG21 ILE 48 3.821 14.555 -0.206 373 HG22 ILE 48 HG22 ILE 48 2.774 13.219 -0.686 374 HG23 ILE 48 HG23 ILE 48 4.507 13.137 -1.003 375 HD11 ILE 48 HD11 ILE 48 6.378 11.583 0.449 376 HD12 ILE 48 HD12 ILE 48 7.451 12.812 1.116 377 HD13 ILE 48 HD13 ILE 48 6.437 13.191 -0.276 378 H GLY 49 H GLY 49 2.547 15.403 0.692 379 HA2 GLY 49 HA2 GLY 49 2.652 17.384 2.718 380 HA3 GLY 49 HA3 GLY 49 4.224 17.244 1.944 381 H ASP 50 H ASP 50 1.690 19.148 1.954 382 HA ASP 50 HA ASP 50 0.810 20.707 0.575 383 HB2 ASP 50 HB2 ASP 50 3.076 21.085 -0.256 384 HB3 ASP 50 HB3 ASP 50 2.898 19.763 -1.408 385 H THR 51 H THR 51 1.622 18.107 -1.742 386 HA THR 51 HA THR 51 -1.247 17.968 -2.462 387 HB THR 51 HB THR 51 0.153 18.856 -4.289 388 HG1 THR 51 HG1 THR 51 -1.333 17.853 -5.398 389 HG21 THR 51 HG21 THR 51 1.777 17.387 -5.427 390 HG22 THR 51 HG22 THR 51 1.560 16.178 -4.161 391 HG23 THR 51 HG23 THR 51 2.269 17.746 -3.772 392 H SER 52 H SER 52 -1.407 15.695 -3.887 393 HA SER 52 HA SER 52 -0.044 13.476 -2.695 394 HB2 SER 52 HB2 SER 52 -2.088 12.430 -1.676 395 HB3 SER 52 HB3 SER 52 -1.507 13.856 -0.823 396 HG SER 52 HG SER 52 -3.385 14.362 -2.790 397 H VAL 53 H VAL 53 -0.730 11.395 -3.568 398 HA VAL 53 HA VAL 53 -2.352 11.563 -6.018 399 HB VAL 53 HB VAL 53 -0.049 11.926 -6.739 400 HG11 VAL 53 HG11 VAL 53 1.115 10.892 -4.863 401 HG12 VAL 53 HG12 VAL 53 1.696 10.241 -6.393 402 HG13 VAL 53 HG13 VAL 53 0.590 9.294 -5.396 403 HG21 VAL 53 HG21 VAL 53 0.157 10.109 -8.369 404 HG22 VAL 53 HG22 VAL 53 -1.519 10.634 -8.213 405 HG23 VAL 53 HG23 VAL 53 -0.988 9.138 -7.445 406 H SER 54 H SER 54 -3.292 9.585 -6.672 407 HA SER 54 HA SER 54 -3.175 7.439 -4.642 408 HB2 SER 54 HB2 SER 54 -5.485 6.878 -5.265 409 HB3 SER 54 HB3 SER 54 -5.362 8.556 -4.742 410 HG SER 54 HG SER 54 -6.573 7.949 -6.794 411 H TYR 55 H TYR 55 -3.617 5.233 -5.416 412 HA TYR 55 HA TYR 55 -2.930 4.760 -8.241 413 HB2 TYR 55 HB2 TYR 55 -0.860 4.524 -6.934 414 HB3 TYR 55 HB3 TYR 55 -1.647 3.355 -5.881 415 HD1 TYR 55 HD1 TYR 55 -0.971 3.897 -9.522 416 HD2 TYR 55 HD2 TYR 55 -1.285 1.099 -6.323 417 HE1 TYR 55 HE1 TYR 55 -0.265 2.098 -11.035 418 HE2 TYR 55 HE2 TYR 55 -0.581 -0.711 -7.833 419 HH TYR 55 HH TYR 55 -0.528 -1.199 -10.234 420 H LYS 56 H LYS 56 -4.195 3.272 -9.196 421 HA LYS 56 HA LYS 56 -6.046 1.733 -7.517 422 HB2 LYS 56 HB2 LYS 56 -7.113 3.029 -9.246 423 HB3 LYS 56 HB3 LYS 56 -6.056 2.351 -10.480 424 HG2 LYS 56 HG2 LYS 56 -7.064 0.156 -10.161 425 HG3 LYS 56 HG3 LYS 56 -8.094 0.799 -8.879 426 HD2 LYS 56 HD2 LYS 56 -9.285 2.173 -10.419 427 HD3 LYS 56 HD3 LYS 56 -8.124 1.851 -11.709 428 HE2 LYS 56 HE2 LYS 56 -9.935 -0.201 -10.429 429 HE3 LYS 56 HE3 LYS 56 -10.206 0.570 -11.993 430 HZ1 LYS 56 HZ1 LYS 56 -7.870 -1.132 -11.298 431 HZ2 LYS 56 HZ2 LYS 56 -8.155 -0.409 -12.802 432 HZ3 LYS 56 HZ3 LYS 56 -9.193 -1.616 -12.231 433 H TYR 57 H TYR 57 -6.262 -0.487 -7.630 434 HA TYR 57 HA TYR 57 -3.915 -1.929 -8.618 435 HB2 TYR 57 HB2 TYR 57 -6.174 -2.751 -6.775 436 HB3 TYR 57 HB3 TYR 57 -4.871 -3.829 -7.270 437 HD1 TYR 57 HD1 TYR 57 -5.573 -0.650 -5.472 438 HD2 TYR 57 HD2 TYR 57 -2.796 -3.803 -6.147 439 HE1 TYR 57 HE1 TYR 57 -4.191 0.180 -3.617 440 HE2 TYR 57 HE2 TYR 57 -1.409 -2.985 -4.293 441 HH TYR 57 HH TYR 57 -2.490 -0.640 -2.066 442 H THR 58 H THR 58 -4.582 -4.359 -9.231 443 HA THR 58 HA THR 58 -6.821 -4.357 -11.143 444 HB THR 58 HB THR 58 -4.913 -3.802 -12.530 445 HG1 THR 58 HG1 THR 58 -4.851 -5.866 -13.805 446 HG21 THR 58 HG21 THR 58 -3.583 -6.260 -11.369 447 HG22 THR 58 HG22 THR 58 -3.110 -4.586 -11.077 448 HG23 THR 58 HG23 THR 58 -2.947 -5.280 -12.691 449 H SER 59 H SER 59 -7.495 -6.501 -11.818 450 HA SER 59 HA SER 59 -7.334 -8.385 -9.618 451 HB2 SER 59 HB2 SER 59 -8.881 -8.563 -12.224 452 HB3 SER 59 HB3 SER 59 -9.069 -9.636 -10.839 453 HG SER 59 HG SER 59 -9.327 -6.900 -10.359 454 H ARG 60 H ARG 60 -5.135 -9.110 -9.781 455 HA ARG 60 HA ARG 60 -4.832 -11.255 -11.769 456 HB2 ARG 60 HB2 ARG 60 -2.562 -10.637 -12.315 457 HB3 ARG 60 HB3 ARG 60 -3.616 -9.266 -12.623 458 HG2 ARG 60 HG2 ARG 60 -2.902 -8.245 -10.506 459 HG3 ARG 60 HG3 ARG 60 -1.838 -9.619 -10.211 460 HD2 ARG 60 HD2 ARG 60 -1.646 -7.642 -12.485 461 HD3 ARG 60 HD3 ARG 60 -0.558 -7.766 -11.104 462 HE ARG 60 HE ARG 60 -0.781 -10.132 -12.776 463 HH11 ARG 60 HH11 ARG 60 0.994 -7.261 -12.069 464 HH12 ARG 60 HH12 ARG 60 2.439 -7.850 -12.818 465 HH21 ARG 60 HH21 ARG 60 1.041 -10.839 -13.779 466 HH22 ARG 60 HH22 ARG 60 2.457 -9.843 -13.812 467 H TYR 61 H TYR 61 -5.053 -10.685 -8.622 468 HA TYR 61 HA TYR 61 -3.602 -13.025 -7.844 469 HB2 TYR 61 HB2 TYR 61 -2.025 -11.998 -6.298 470 HB3 TYR 61 HB3 TYR 61 -1.744 -11.387 -7.923 471 HD1 TYR 61 HD1 TYR 61 -2.858 -9.097 -8.503 472 HD2 TYR 61 HD2 TYR 61 -2.266 -10.486 -4.521 473 HE1 TYR 61 HE1 TYR 61 -3.051 -6.791 -7.678 474 HE2 TYR 61 HE2 TYR 61 -2.457 -8.181 -3.689 475 HH TYR 61 HH TYR 61 -2.149 -5.877 -4.561 476 H VAL 62 H VAL 62 -4.195 -13.800 -5.818 477 HA VAL 62 HA VAL 62 -6.294 -12.283 -4.394 478 HB VAL 62 HB VAL 62 -5.803 -15.275 -4.412 479 HG11 VAL 62 HG11 VAL 62 -6.732 -14.513 -2.280 480 HG12 VAL 62 HG12 VAL 62 -7.920 -15.444 -3.193 481 HG13 VAL 62 HG13 VAL 62 -8.034 -13.684 -3.135 482 HG21 VAL 62 HG21 VAL 62 -7.914 -15.408 -5.671 483 HG22 VAL 62 HG22 VAL 62 -6.685 -14.493 -6.547 484 HG23 VAL 62 HG23 VAL 62 -7.990 -13.647 -5.716 485 H LEU 63 H LEU 63 -5.971 -11.719 -2.303 486 HA LEU 63 HA LEU 63 -3.351 -12.078 -1.152 487 HB2 LEU 63 HB2 LEU 63 -5.829 -10.691 -0.120 488 HB3 LEU 63 HB3 LEU 63 -4.281 -10.680 0.705 489 HG LEU 63 HG LEU 63 -4.803 -9.515 -2.039 490 HD11 LEU 63 HD11 LEU 63 -4.342 -8.130 0.607 491 HD12 LEU 63 HD12 LEU 63 -5.883 -8.240 -0.244 492 HD13 LEU 63 HD13 LEU 63 -4.544 -7.348 -0.962 493 HD21 LEU 63 HD21 LEU 63 -2.511 -10.340 -1.801 494 HD22 LEU 63 HD22 LEU 63 -2.325 -9.418 -0.308 495 HD23 LEU 63 HD23 LEU 63 -2.549 -8.577 -1.843 496 H LYS 64 H LYS 64 -2.905 -14.017 -0.289 497 HA LYS 64 HA LYS 64 -4.813 -15.673 1.044 498 HB2 LYS 64 HB2 LYS 64 -1.786 -15.805 1.040 499 HB3 LYS 64 HB3 LYS 64 -2.863 -17.082 1.591 500 HG2 LYS 64 HG2 LYS 64 -3.754 -17.335 -0.661 501 HG3 LYS 64 HG3 LYS 64 -2.723 -16.019 -1.230 502 HD2 LYS 64 HD2 LYS 64 -0.731 -17.316 -0.658 503 HD3 LYS 64 HD3 LYS 64 -1.744 -18.621 -0.040 504 HE2 LYS 64 HE2 LYS 64 -2.683 -18.960 -2.276 505 HE3 LYS 64 HE3 LYS 64 -1.697 -17.636 -2.897 506 HZ1 LYS 64 HZ1 LYS 64 -0.692 -19.758 -3.388 507 HZ2 LYS 64 HZ2 LYS 64 -0.677 -20.180 -1.749 508 HZ3 LYS 64 HZ3 LYS 64 0.284 -18.905 -2.308 509 H ALA 65 H ALA 65 -4.518 -16.450 3.313 510 HA ALA 65 HA ALA 65 -4.515 -14.334 5.185 511 HB1 ALA 65 HB1 ALA 65 -4.215 -17.295 5.701 512 HB2 ALA 65 HB2 ALA 65 -5.743 -16.431 5.527 513 HB3 ALA 65 HB3 ALA 65 -4.679 -16.072 6.885 514 H GLY 66 H GLY 66 -2.793 -13.197 5.815 515 HA2 GLY 66 HA2 GLY 66 -0.748 -12.899 6.941 516 HA3 GLY 66 HA3 GLY 66 -0.322 -14.565 6.586 517 H GLN 67 H GLN 67 -1.495 -12.998 3.835 518 HA GLN 67 HA GLN 67 1.162 -12.983 2.661 519 HB2 GLN 67 HB2 GLN 67 -0.718 -13.979 1.437 520 HB3 GLN 67 HB3 GLN 67 -1.551 -12.433 1.436 521 HG2 GLN 67 HG2 GLN 67 -0.522 -12.912 -0.726 522 HG3 GLN 67 HG3 GLN 67 0.172 -11.472 0.016 523 HE21 GLN 67 HE21 GLN 67 2.319 -11.471 0.581 524 HE22 GLN 67 HE22 GLN 67 3.402 -12.757 0.193 525 H THR 68 H THR 68 2.422 -11.236 2.582 526 HA THR 68 HA THR 68 1.289 -8.552 2.895 527 HB THR 68 HB THR 68 3.620 -7.778 3.044 528 HG1 THR 68 HG1 THR 68 5.034 -9.006 2.041 529 HG21 THR 68 HG21 THR 68 2.529 -8.561 5.096 530 HG22 THR 68 HG22 THR 68 4.255 -8.923 5.122 531 HG23 THR 68 HG23 THR 68 3.091 -10.202 4.777 532 H VAL 69 H VAL 69 1.620 -6.868 1.388 533 HA VAL 69 HA VAL 69 2.776 -7.598 -1.215 534 HB VAL 69 HB VAL 69 0.385 -7.827 -1.536 535 HG11 VAL 69 HG11 VAL 69 0.129 -4.979 -0.560 536 HG12 VAL 69 HG12 VAL 69 -0.416 -6.422 0.291 537 HG13 VAL 69 HG13 VAL 69 -1.172 -5.960 -1.234 538 HG21 VAL 69 HG21 VAL 69 0.053 -6.229 -3.376 539 HG22 VAL 69 HG22 VAL 69 1.675 -6.923 -3.394 540 HG23 VAL 69 HG23 VAL 69 1.425 -5.284 -2.796 541 H THR 70 H THR 70 4.225 -6.170 -1.888 542 HA THR 70 HA THR 70 4.454 -3.601 -0.458 543 HB THR 70 HB THR 70 6.556 -5.052 -2.088 544 HG1 THR 70 HG1 THR 70 6.208 -6.313 -0.310 545 HG21 THR 70 HG21 THR 70 6.769 -2.739 -0.154 546 HG22 THR 70 HG22 THR 70 6.977 -2.659 -1.905 547 HG23 THR 70 HG23 THR 70 8.129 -3.561 -0.919 548 H ILE 71 H ILE 71 4.078 -1.739 -1.519 549 HA ILE 71 HA ILE 71 3.933 -1.740 -4.451 550 HB ILE 71 HB ILE 71 3.069 0.415 -2.503 551 HG12 ILE 71 HG12 ILE 71 1.712 -1.613 -2.224 552 HG13 ILE 71 HG13 ILE 71 0.765 -0.338 -2.983 553 HG21 ILE 71 HG21 ILE 71 1.863 1.355 -4.431 554 HG22 ILE 71 HG22 ILE 71 2.553 0.107 -5.468 555 HG23 ILE 71 HG23 ILE 71 3.604 1.305 -4.709 556 HD11 ILE 71 HD11 ILE 71 0.315 -2.479 -4.011 557 HD12 ILE 71 HD12 ILE 71 2.024 -2.687 -4.386 558 HD13 ILE 71 HD13 ILE 71 1.100 -1.402 -5.164 559 H TRP 72 H TRP 72 5.995 -1.513 -5.207 560 HA TRP 72 HA TRP 72 7.861 0.395 -4.060 561 HB2 TRP 72 HB2 TRP 72 8.042 -1.398 -6.493 562 HB3 TRP 72 HB3 TRP 72 9.346 -0.355 -5.942 563 HD1 TRP 72 HD1 TRP 72 7.397 -3.511 -4.866 564 HE1 TRP 72 HE1 TRP 72 8.878 -4.848 -3.236 565 HE3 TRP 72 HE3 TRP 72 11.250 -0.186 -4.347 566 HZ2 TRP 72 HZ2 TRP 72 11.343 -4.537 -1.912 567 HZ3 TRP 72 HZ3 TRP 72 13.134 -0.784 -2.882 568 HH2 TRP 72 HH2 TRP 72 13.178 -2.918 -1.689 569 H ALA 73 H ALA 73 7.909 2.514 -4.610 570 HA ALA 73 HA ALA 73 6.265 3.513 -6.735 571 HB1 ALA 73 HB1 ALA 73 6.527 4.745 -4.642 572 HB2 ALA 73 HB2 ALA 73 7.003 5.723 -6.029 573 HB3 ALA 73 HB3 ALA 73 8.235 4.996 -4.998 574 H ALA 74 H ALA 74 7.238 2.440 -8.556 575 HA ALA 74 HA ALA 74 8.356 2.465 -10.522 576 HB1 ALA 74 HB1 ALA 74 9.176 5.263 -9.757 577 HB2 ALA 74 HB2 ALA 74 7.646 4.821 -10.516 578 HB3 ALA 74 HB3 ALA 74 9.163 4.571 -11.379 579 H ASN 75 H ASN 75 10.652 4.446 -8.613 580 HA ASN 75 HA ASN 75 12.909 3.093 -9.730 581 HB2 ASN 75 HB2 ASN 75 12.826 4.968 -7.353 582 HB3 ASN 75 HB3 ASN 75 14.257 4.514 -8.273 583 HD21 ASN 75 HD21 ASN 75 13.237 7.155 -7.824 584 HD22 ASN 75 HD22 ASN 75 12.872 7.820 -9.375 585 H ALA 76 H ALA 76 12.798 0.920 -9.225 586 HA ALA 76 HA ALA 76 13.197 0.211 -6.387 587 HB1 ALA 76 HB1 ALA 76 11.385 -1.259 -8.303 588 HB2 ALA 76 HB2 ALA 76 10.857 -0.199 -6.998 589 HB3 ALA 76 HB3 ALA 76 11.708 -1.698 -6.624 590 H GLY 77 H GLY 77 13.626 -0.754 -9.777 591 HA2 GLY 77 HA2 GLY 77 15.454 -1.918 -10.688 592 HA3 GLY 77 HA3 GLY 77 15.987 -2.325 -9.064 593 H VAL 78 H VAL 78 13.334 -3.328 -8.293 594 HA VAL 78 HA VAL 78 13.561 -6.048 -9.050 595 HB VAL 78 HB VAL 78 11.172 -4.643 -7.812 596 HG11 VAL 78 HG11 VAL 78 11.986 -7.553 -7.704 597 HG12 VAL 78 HG12 VAL 78 10.644 -6.890 -8.637 598 HG13 VAL 78 HG13 VAL 78 10.606 -6.829 -6.874 599 HG21 VAL 78 HG21 VAL 78 12.118 -5.285 -5.640 600 HG22 VAL 78 HG22 VAL 78 13.195 -4.198 -6.520 601 HG23 VAL 78 HG23 VAL 78 13.548 -5.926 -6.451 602 H THR 79 H THR 79 11.922 -7.352 -10.200 603 HA THR 79 HA THR 79 11.254 -6.505 -12.748 604 HB THR 79 HB THR 79 9.915 -8.631 -11.059 605 HG1 THR 79 HG1 THR 79 11.690 -9.030 -13.238 606 HG21 THR 79 HG21 THR 79 8.387 -7.976 -12.855 607 HG22 THR 79 HG22 THR 79 9.065 -9.572 -13.174 608 HG23 THR 79 HG23 THR 79 9.678 -8.165 -14.041 609 H ALA 80 H ALA 80 9.687 -5.286 -13.633 610 HA ALA 80 HA ALA 80 7.967 -3.709 -12.047 611 HB1 ALA 80 HB1 ALA 80 7.069 -2.876 -14.157 612 HB2 ALA 80 HB2 ALA 80 7.863 -4.191 -15.025 613 HB3 ALA 80 HB3 ALA 80 8.830 -2.964 -14.205 614 H SER 81 H SER 81 6.311 -4.499 -10.948 615 HA SER 81 HA SER 81 4.238 -5.272 -10.489 616 HB2 SER 81 HB2 SER 81 3.971 -5.481 -13.496 617 HB3 SER 81 HB3 SER 81 2.642 -5.686 -12.353 618 HG SER 81 HG SER 81 2.468 -3.598 -12.670 619 HA PRO 82 HA PRO 82 5.675 -9.782 -10.529 620 HB2 PRO 82 HB2 PRO 82 4.899 -9.025 -7.736 621 HB3 PRO 82 HB3 PRO 82 6.173 -10.115 -8.292 622 HG2 PRO 82 HG2 PRO 82 6.834 -7.716 -7.454 623 HG3 PRO 82 HG3 PRO 82 7.576 -8.353 -8.937 624 HD2 PRO 82 HD2 PRO 82 5.369 -6.351 -8.633 625 HD3 PRO 82 HD3 PRO 82 6.735 -6.363 -9.770 626 HA PRO 83 HA PRO 83 2.979 -12.727 -8.694 627 HB2 PRO 83 HB2 PRO 83 5.285 -12.531 -10.602 628 HB3 PRO 83 HB3 PRO 83 4.480 -13.989 -9.989 629 HG2 PRO 83 HG2 PRO 83 3.671 -12.568 -12.269 630 HG3 PRO 83 HG3 PRO 83 2.651 -13.696 -11.359 631 HD2 PRO 83 HD2 PRO 83 2.146 -10.946 -11.650 632 HD3 PRO 83 HD3 PRO 83 1.456 -11.972 -10.366 633 H THR 84 H THR 84 3.496 -10.702 -7.064 634 HA THR 84 HA THR 84 4.279 -12.039 -4.954 635 HB THR 84 HB THR 84 6.563 -12.495 -5.744 636 HG1 THR 84 HG1 THR 84 6.961 -10.687 -3.624 637 HG21 THR 84 HG21 THR 84 7.094 -10.533 -7.054 638 HG22 THR 84 HG22 THR 84 8.266 -10.691 -5.748 639 HG23 THR 84 HG23 THR 84 6.969 -9.500 -5.630 640 H ASP 85 H ASP 85 5.329 -8.910 -6.252 641 HA ASP 85 HA ASP 85 3.638 -7.548 -4.279 642 HB2 ASP 85 HB2 ASP 85 6.455 -6.712 -5.052 643 HB3 ASP 85 HB3 ASP 85 5.386 -5.848 -3.951 644 H LEU 86 H LEU 86 4.231 -4.889 -5.250 645 HA LEU 86 HA LEU 86 3.693 -5.012 -8.136 646 HB2 LEU 86 HB2 LEU 86 1.887 -3.684 -6.115 647 HB3 LEU 86 HB3 LEU 86 1.853 -3.281 -7.819 648 HG LEU 86 HG LEU 86 1.258 -6.015 -6.670 649 HD11 LEU 86 HD11 LEU 86 -0.598 -3.921 -7.803 650 HD12 LEU 86 HD12 LEU 86 -0.475 -4.395 -6.109 651 HD13 LEU 86 HD13 LEU 86 -1.058 -5.550 -7.305 652 HD21 LEU 86 HD21 LEU 86 2.205 -6.190 -8.896 653 HD22 LEU 86 HD22 LEU 86 1.083 -4.968 -9.499 654 HD23 LEU 86 HD23 LEU 86 0.475 -6.533 -8.956 655 H ILE 87 H ILE 87 4.357 -3.229 -9.317 656 HA ILE 87 HA ILE 87 5.863 -1.174 -7.829 657 HB ILE 87 HB ILE 87 6.222 -2.292 -10.607 658 HG12 ILE 87 HG12 ILE 87 8.609 -2.444 -9.850 659 HG13 ILE 87 HG13 ILE 87 8.115 -1.837 -8.275 660 HG21 ILE 87 HG21 ILE 87 7.856 -0.518 -11.093 661 HG22 ILE 87 HG22 ILE 87 7.394 0.308 -9.604 662 HG23 ILE 87 HG23 ILE 87 6.222 0.123 -10.908 663 HD11 ILE 87 HD11 ILE 87 8.410 -4.242 -8.252 664 HD12 ILE 87 HD12 ILE 87 7.215 -4.419 -9.537 665 HD13 ILE 87 HD13 ILE 87 6.727 -3.817 -7.953 666 H TRP 88 H TRP 88 5.049 0.806 -7.738 667 HA TRP 88 HA TRP 88 2.700 1.630 -9.119 668 HB2 TRP 88 HB2 TRP 88 3.539 2.421 -6.838 669 HB3 TRP 88 HB3 TRP 88 4.695 3.422 -7.706 670 HD1 TRP 88 HD1 TRP 88 2.300 4.190 -9.982 671 HE1 TRP 88 HE1 TRP 88 0.669 6.054 -9.283 672 HE3 TRP 88 HE3 TRP 88 3.051 4.075 -4.927 673 HZ2 TRP 88 HZ2 TRP 88 -0.177 7.318 -6.909 674 HZ3 TRP 88 HZ3 TRP 88 1.796 5.648 -3.512 675 HH2 TRP 88 HH2 TRP 88 0.214 7.237 -4.484 676 H LYS 89 H LYS 89 3.060 1.525 -11.367 677 HA LYS 89 HA LYS 89 5.400 2.733 -12.555 678 HB2 LYS 89 HB2 LYS 89 2.952 1.476 -13.814 679 HB3 LYS 89 HB3 LYS 89 4.365 2.020 -14.710 680 HG2 LYS 89 HG2 LYS 89 5.753 0.418 -13.436 681 HG3 LYS 89 HG3 LYS 89 4.298 -0.163 -12.625 682 HD2 LYS 89 HD2 LYS 89 4.588 -0.186 -15.629 683 HD3 LYS 89 HD3 LYS 89 5.157 -1.515 -14.623 684 HE2 LYS 89 HE2 LYS 89 2.975 -2.071 -15.442 685 HE3 LYS 89 HE3 LYS 89 2.847 -1.744 -13.716 686 HZ1 LYS 89 HZ1 LYS 89 2.133 0.163 -15.879 687 HZ2 LYS 89 HZ2 LYS 89 1.964 0.436 -14.217 688 HZ3 LYS 89 HZ3 LYS 89 1.036 -0.753 -14.977 689 H ASN 90 H ASN 90 3.277 4.456 -11.171 690 HA ASN 90 HA ASN 90 2.981 6.406 -13.374 691 HB2 ASN 90 HB2 ASN 90 0.952 5.828 -11.198 692 HB3 ASN 90 HB3 ASN 90 0.834 7.143 -12.360 693 HD21 ASN 90 HD21 ASN 90 1.915 5.478 -14.538 694 HD22 ASN 90 HD22 ASN 90 0.618 4.440 -14.990 695 H GLN 91 H GLN 91 4.558 5.879 -10.560 696 HA GLN 91 HA GLN 91 4.930 8.666 -9.940 697 HB2 GLN 91 HB2 GLN 91 2.695 7.815 -8.864 698 HB3 GLN 91 HB3 GLN 91 3.746 7.029 -7.704 699 HG2 GLN 91 HG2 GLN 91 3.924 9.972 -8.265 700 HG3 GLN 91 HG3 GLN 91 2.769 9.311 -7.113 701 HE21 GLN 91 HE21 GLN 91 6.056 10.101 -7.705 702 HE22 GLN 91 HE22 GLN 91 6.661 9.691 -6.145 703 H ASN 92 H ASN 92 6.953 8.930 -9.157 704 HA ASN 92 HA ASN 92 8.583 6.549 -8.786 705 HB2 ASN 92 HB2 ASN 92 9.315 9.477 -9.015 706 HB3 ASN 92 HB3 ASN 92 10.481 8.162 -8.899 707 HD21 ASN 92 HD21 ASN 92 11.338 8.757 -10.908 708 HD22 ASN 92 HD22 ASN 92 10.529 8.368 -12.383 709 H SER 93 H SER 93 10.446 6.729 -7.152 710 HA SER 93 HA SER 93 9.627 6.567 -4.543 711 HB2 SER 93 HB2 SER 93 11.829 5.794 -5.207 712 HB3 SER 93 HB3 SER 93 12.344 7.438 -5.575 713 HG SER 93 HG SER 93 12.504 7.888 -3.468 714 H TRP 94 H TRP 94 9.015 7.958 -2.981 715 HA TRP 94 HA TRP 94 8.940 10.794 -3.688 716 HB2 TRP 94 HB2 TRP 94 7.252 11.007 -1.922 717 HB3 TRP 94 HB3 TRP 94 6.832 9.735 -3.061 718 HD1 TRP 94 HD1 TRP 94 7.739 10.293 0.601 719 HE1 TRP 94 HE1 TRP 94 7.296 8.126 1.911 720 HE3 TRP 94 HE3 TRP 94 6.801 7.151 -3.325 721 HZ2 TRP 94 HZ2 TRP 94 6.642 5.443 1.357 722 HZ3 TRP 94 HZ3 TRP 94 6.277 4.795 -2.847 723 HH2 TRP 94 HH2 TRP 94 6.201 3.962 -0.551 724 H GLY 95 H GLY 95 10.436 8.695 -1.312 725 HA2 GLY 95 HA2 GLY 95 12.007 9.163 0.326 726 HA3 GLY 95 HA3 GLY 95 12.082 10.810 -0.286 727 H THR 96 H THR 96 10.983 8.823 2.259 728 HA THR 96 HA THR 96 8.658 10.397 2.953 729 HB THR 96 HB THR 96 8.669 7.966 3.331 730 HG1 THR 96 HG1 THR 96 8.442 9.466 5.756 731 HG21 THR 96 HG21 THR 96 9.911 7.007 5.216 732 HG22 THR 96 HG22 THR 96 10.690 8.565 5.499 733 HG23 THR 96 HG23 THR 96 11.007 7.679 4.006 734 H GLY 97 H GLY 97 11.405 11.697 3.083 735 HA2 GLY 97 HA2 GLY 97 12.030 12.477 5.682 736 HA3 GLY 97 HA3 GLY 97 12.118 13.542 4.282 737 H GLU 98 H GLU 98 9.471 13.684 3.545 738 HA GLU 98 HA GLU 98 8.091 15.014 5.736 739 HB2 GLU 98 HB2 GLU 98 7.328 14.514 2.844 740 HB3 GLU 98 HB3 GLU 98 6.311 15.377 3.989 741 HG2 GLU 98 HG2 GLU 98 9.076 16.219 3.146 742 HG3 GLU 98 HG3 GLU 98 7.570 16.870 2.501 743 H ASP 99 H ASP 99 6.690 13.970 7.051 744 HA ASP 99 HA ASP 99 6.391 11.229 7.091 745 HB2 ASP 99 HB2 ASP 99 4.620 13.361 8.298 746 HB3 ASP 99 HB3 ASP 99 4.505 11.644 8.691 747 H VAL 100 H VAL 100 5.670 10.116 5.400 748 HA VAL 100 HA VAL 100 3.525 10.929 3.706 749 HB VAL 100 HB VAL 100 5.337 9.572 2.824 750 HG11 VAL 100 HG11 VAL 100 5.852 8.291 4.850 751 HG12 VAL 100 HG12 VAL 100 5.651 7.235 3.451 752 HG13 VAL 100 HG13 VAL 100 4.361 7.369 4.646 753 HG21 VAL 100 HG21 VAL 100 4.054 7.860 1.635 754 HG22 VAL 100 HG22 VAL 100 3.158 9.375 1.726 755 HG23 VAL 100 HG23 VAL 100 2.734 8.035 2.791 756 H LYS 101 H LYS 101 1.429 10.227 3.597 757 HA LYS 101 HA LYS 101 0.431 8.532 5.801 758 HB2 LYS 101 HB2 LYS 101 -0.073 10.926 6.174 759 HB3 LYS 101 HB3 LYS 101 -0.906 10.987 4.627 760 HG2 LYS 101 HG2 LYS 101 -2.581 9.417 5.441 761 HG3 LYS 101 HG3 LYS 101 -1.723 9.272 6.977 762 HD2 LYS 101 HD2 LYS 101 -2.990 11.786 5.869 763 HD3 LYS 101 HD3 LYS 101 -3.622 10.795 7.184 764 HE2 LYS 101 HE2 LYS 101 -1.611 11.292 8.515 765 HE3 LYS 101 HE3 LYS 101 -1.000 12.299 7.204 766 HZ1 LYS 101 HZ1 LYS 101 -2.914 13.745 7.472 767 HZ2 LYS 101 HZ2 LYS 101 -2.048 13.621 8.918 768 HZ3 LYS 101 HZ3 LYS 101 -3.500 12.778 8.729 769 H VAL 102 H VAL 102 -0.487 6.729 5.043 770 HA VAL 102 HA VAL 102 -1.353 6.640 2.237 771 HB VAL 102 HB VAL 102 -0.770 4.362 4.139 772 HG11 VAL 102 HG11 VAL 102 -2.355 3.714 2.410 773 HG12 VAL 102 HG12 VAL 102 -0.789 2.957 2.120 774 HG13 VAL 102 HG13 VAL 102 -1.285 4.355 1.162 775 HG21 VAL 102 HG21 VAL 102 1.248 5.629 3.651 776 HG22 VAL 102 HG22 VAL 102 0.910 5.543 1.921 777 HG23 VAL 102 HG23 VAL 102 1.295 4.073 2.819 778 H ILE 103 H ILE 103 -3.430 6.604 1.742 779 HA ILE 103 HA ILE 103 -5.443 5.931 3.786 780 HB ILE 103 HB ILE 103 -5.913 7.333 1.147 781 HG12 ILE 103 HG12 ILE 103 -4.345 8.683 2.475 782 HG13 ILE 103 HG13 ILE 103 -5.918 9.463 2.385 783 HG21 ILE 103 HG21 ILE 103 -7.901 6.344 2.117 784 HG22 ILE 103 HG22 ILE 103 -7.989 8.102 2.228 785 HG23 ILE 103 HG23 ILE 103 -7.586 7.147 3.656 786 HD11 ILE 103 HD11 ILE 103 -4.973 9.666 4.599 787 HD12 ILE 103 HD12 ILE 103 -4.841 7.914 4.729 788 HD13 ILE 103 HD13 ILE 103 -6.430 8.675 4.643 789 H LEU 104 H LEU 104 -6.317 3.917 3.626 790 HA LEU 104 HA LEU 104 -6.197 2.496 1.063 791 HB2 LEU 104 HB2 LEU 104 -6.894 1.509 3.834 792 HB3 LEU 104 HB3 LEU 104 -6.851 0.504 2.398 793 HG LEU 104 HG LEU 104 -4.500 1.896 3.690 794 HD11 LEU 104 HD11 LEU 104 -5.174 -1.033 3.385 795 HD12 LEU 104 HD12 LEU 104 -5.262 -0.097 4.877 796 HD13 LEU 104 HD13 LEU 104 -3.703 -0.378 4.106 797 HD21 LEU 104 HD21 LEU 104 -4.270 1.928 1.254 798 HD22 LEU 104 HD22 LEU 104 -4.576 0.191 1.194 799 HD23 LEU 104 HD23 LEU 104 -3.122 0.806 1.982 800 H LYS 105 H LYS 105 -7.880 2.917 -0.245 801 HA LYS 105 HA LYS 105 -10.605 2.734 0.891 802 HB2 LYS 105 HB2 LYS 105 -9.683 4.162 -1.618 803 HB3 LYS 105 HB3 LYS 105 -11.355 4.032 -1.089 804 HG2 LYS 105 HG2 LYS 105 -10.796 5.286 0.957 805 HG3 LYS 105 HG3 LYS 105 -9.130 5.444 0.389 806 HD2 LYS 105 HD2 LYS 105 -9.980 6.632 -1.622 807 HD3 LYS 105 HD3 LYS 105 -11.608 6.550 -0.946 808 HE2 LYS 105 HE2 LYS 105 -9.244 7.931 0.339 809 HE3 LYS 105 HE3 LYS 105 -10.527 8.736 -0.561 810 HZ1 LYS 105 HZ1 LYS 105 -10.779 7.286 2.016 811 HZ2 LYS 105 HZ2 LYS 105 -12.106 7.811 1.102 812 HZ3 LYS 105 HZ3 LYS 105 -11.013 8.934 1.727 813 H ASN 106 H ASN 106 -12.041 1.306 0.035 814 HA ASN 106 HA ASN 106 -11.136 -0.979 -1.332 815 HB2 ASN 106 HB2 ASN 106 -13.989 -0.015 -1.025 816 HB3 ASN 106 HB3 ASN 106 -13.477 -1.662 -1.383 817 HD21 ASN 106 HD21 ASN 106 -12.625 -2.922 0.262 818 HD22 ASN 106 HD22 ASN 106 -12.763 -2.478 1.923 819 H SER 107 H SER 107 -12.448 -1.832 -3.294 820 HA SER 107 HA SER 107 -11.638 -0.474 -5.583 821 HB2 SER 107 HB2 SER 107 -13.844 -2.537 -5.337 822 HB3 SER 107 HB3 SER 107 -13.016 -2.093 -6.828 823 HG SER 107 HG SER 107 -12.175 -3.702 -4.737 824 H GLN 108 H GLN 108 -14.625 -0.154 -3.777 825 HA GLN 108 HA GLN 108 -15.819 1.472 -5.919 826 HB2 GLN 108 HB2 GLN 108 -17.028 0.264 -3.428 827 HB3 GLN 108 HB3 GLN 108 -17.906 1.303 -4.544 828 HG2 GLN 108 HG2 GLN 108 -17.534 -0.305 -6.349 829 HG3 GLN 108 HG3 GLN 108 -16.639 -1.345 -5.240 830 HE21 GLN 108 HE21 GLN 108 -18.081 -3.040 -5.562 831 HE22 GLN 108 HE22 GLN 108 -19.667 -3.037 -4.888 832 H GLY 109 H GLY 109 -13.666 2.361 -3.873 833 HA2 GLY 109 HA2 GLY 109 -13.157 4.604 -3.403 834 HA3 GLY 109 HA3 GLY 109 -14.843 5.021 -3.623 835 H GLU 110 H GLU 110 -15.763 2.976 -1.682 836 HA GLU 110 HA GLU 110 -15.808 4.411 0.694 837 HB2 GLU 110 HB2 GLU 110 -16.411 2.141 1.743 838 HB3 GLU 110 HB3 GLU 110 -17.443 2.744 0.453 839 HG2 GLU 110 HG2 GLU 110 -16.263 1.287 -1.145 840 HG3 GLU 110 HG3 GLU 110 -15.292 0.649 0.182 841 H GLU 111 H GLU 111 -14.762 4.025 2.786 842 HA GLU 111 HA GLU 111 -11.910 3.432 2.314 843 HB2 GLU 111 HB2 GLU 111 -12.472 5.788 2.764 844 HB3 GLU 111 HB3 GLU 111 -13.167 5.324 4.309 845 HG2 GLU 111 HG2 GLU 111 -10.998 4.611 5.115 846 HG3 GLU 111 HG3 GLU 111 -10.275 4.953 3.542 847 H VAL 112 H VAL 112 -10.785 2.067 3.589 848 HA VAL 112 HA VAL 112 -12.226 0.626 5.706 849 HB VAL 112 HB VAL 112 -9.587 -0.013 4.358 850 HG11 VAL 112 HG11 VAL 112 -9.775 -2.205 5.479 851 HG12 VAL 112 HG12 VAL 112 -11.184 -1.618 6.366 852 HG13 VAL 112 HG13 VAL 112 -9.604 -0.880 6.628 853 HG21 VAL 112 HG21 VAL 112 -11.475 -0.268 2.848 854 HG22 VAL 112 HG22 VAL 112 -12.324 -1.255 4.039 855 HG23 VAL 112 HG23 VAL 112 -10.837 -1.850 3.298 856 H ALA 113 H ALA 113 -8.986 2.100 5.219 857 HA ALA 113 HA ALA 113 -8.938 3.102 7.922 858 HB1 ALA 113 HB1 ALA 113 -7.012 1.819 8.685 859 HB2 ALA 113 HB2 ALA 113 -7.015 0.895 7.182 860 HB3 ALA 113 HB3 ALA 113 -8.365 0.751 8.309 861 H GLN 114 H GLN 114 -6.738 4.071 8.442 862 HA GLN 114 HA GLN 114 -5.112 4.832 6.163 863 HB2 GLN 114 HB2 GLN 114 -5.421 7.285 6.622 864 HB3 GLN 114 HB3 GLN 114 -6.825 6.486 5.928 865 HG2 GLN 114 HG2 GLN 114 -7.865 6.376 8.137 866 HG3 GLN 114 HG3 GLN 114 -6.456 7.168 8.844 867 HE21 GLN 114 HE21 GLN 114 -9.273 7.585 6.841 868 HE22 GLN 114 HE22 GLN 114 -9.265 9.308 6.861 869 H ARG 115 H ARG 115 -3.031 5.288 6.743 870 HA ARG 115 HA ARG 115 -2.385 5.803 9.559 871 HB2 ARG 115 HB2 ARG 115 -2.445 3.338 9.320 872 HB3 ARG 115 HB3 ARG 115 -1.261 3.442 8.024 873 HG2 ARG 115 HG2 ARG 115 0.368 4.387 9.620 874 HG3 ARG 115 HG3 ARG 115 -0.822 4.209 10.910 875 HD2 ARG 115 HD2 ARG 115 -0.860 1.776 10.512 876 HD3 ARG 115 HD3 ARG 115 0.367 1.973 9.258 877 HE ARG 115 HE ARG 115 1.051 2.986 11.892 878 HH11 ARG 115 HH11 ARG 115 1.259 0.324 9.711 879 HH12 ARG 115 HH12 ARG 115 2.674 -0.313 10.470 880 HH21 ARG 115 HH21 ARG 115 2.832 2.144 12.858 881 HH22 ARG 115 HH22 ARG 115 3.556 0.701 12.226 882 H SER 116 H SER 116 -0.291 6.691 9.900 883 HA SER 116 HA SER 116 1.226 7.388 7.450 884 HB2 SER 116 HB2 SER 116 1.669 9.597 8.299 885 HB3 SER 116 HB3 SER 116 -0.072 9.338 8.402 886 HG SER 116 HG SER 116 1.852 9.337 10.478 887 H THR 117 H THR 117 3.462 8.401 8.218 888 HA THR 117 HA THR 117 4.840 6.382 9.754 889 HB THR 117 HB THR 117 6.867 7.782 9.331 890 HG1 THR 117 HG1 THR 117 6.225 9.848 9.112 891 HG21 THR 117 HG21 THR 117 5.189 7.209 6.879 892 HG22 THR 117 HG22 THR 117 6.210 6.047 7.729 893 HG23 THR 117 HG23 THR 117 6.940 7.426 6.908 894 H VAL 118 H VAL 118 6.699 7.489 11.242 895 HA VAL 118 HA VAL 118 5.295 9.155 13.242 896 HB VAL 118 HB VAL 118 7.530 7.172 13.757 897 HG11 VAL 118 HG11 VAL 118 7.004 7.545 16.136 898 HG12 VAL 118 HG12 VAL 118 5.823 8.773 15.674 899 HG13 VAL 118 HG13 VAL 118 7.536 9.029 15.343 900 HG21 VAL 118 HG21 VAL 118 5.824 5.781 14.832 901 HG22 VAL 118 HG22 VAL 118 5.455 6.036 13.125 902 HG23 VAL 118 HG23 VAL 118 4.578 6.940 14.362 903 H PHE 119 H PHE 119 6.241 11.021 13.883 904 HA PHE 119 HA PHE 119 8.291 12.175 12.335 905 HB2 PHE 119 HB2 PHE 119 7.215 13.091 15.018 906 HB3 PHE 119 HB3 PHE 119 8.148 14.073 13.895 907 HD1 PHE 119 HD1 PHE 119 4.929 12.309 14.363 908 HD2 PHE 119 HD2 PHE 119 7.100 15.177 12.078 909 HE1 PHE 119 HE1 PHE 119 2.849 12.995 13.256 910 HE2 PHE 119 HE2 PHE 119 5.013 15.869 10.972 911 HZ PHE 119 HZ PHE 119 2.885 14.776 11.559 912 H LYS 120 H LYS 120 10.162 10.907 12.435 913 HA LYS 120 HA LYS 120 11.778 11.333 14.854 914 HB2 LYS 120 HB2 LYS 120 10.789 9.008 14.884 915 HB3 LYS 120 HB3 LYS 120 11.689 8.669 13.411 916 HG2 LYS 120 HG2 LYS 120 13.791 9.205 14.658 917 HG3 LYS 120 HG3 LYS 120 12.824 9.336 16.126 918 HD2 LYS 120 HD2 LYS 120 13.471 7.152 16.320 919 HD3 LYS 120 HD3 LYS 120 12.015 6.913 15.356 920 HE2 LYS 120 HE2 LYS 120 14.835 7.098 14.276 921 HE3 LYS 120 HE3 LYS 120 13.929 5.607 14.514 922 HZ1 LYS 120 HZ1 LYS 120 13.818 6.244 12.233 923 HZ2 LYS 120 HZ2 LYS 120 13.274 7.799 12.620 924 HZ3 LYS 120 HZ3 LYS 120 12.285 6.460 12.909 925 H THR 121 H THR 121 14.030 11.407 14.497 926 HA THR 121 HA THR 121 14.911 12.304 11.942 927 HB THR 121 HB THR 121 17.213 12.199 12.960 928 HG1 THR 121 HG1 THR 121 16.162 11.721 15.490 929 HG21 THR 121 HG21 THR 121 15.817 14.218 13.187 930 HG22 THR 121 HG22 THR 121 16.829 13.967 14.610 931 HG23 THR 121 HG23 THR 121 15.114 13.560 14.664 932 H THR 122 H THR 122 16.975 11.312 10.943 933 HA THR 122 HA THR 122 16.785 8.368 10.868 934 HB THR 122 HB THR 122 15.586 8.947 8.930 935 HG1 THR 122 HG1 THR 122 18.291 8.557 8.101 936 HG21 THR 122 HG21 THR 122 16.142 11.341 8.843 937 HG22 THR 122 HG22 THR 122 16.311 10.581 7.260 938 HG23 THR 122 HG23 THR 122 17.745 10.944 8.220 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -7.860 -14.818 -22.036 2 H2 MET 1 H2 MET 1 -9.045 -15.689 -22.865 3 H3 MET 1 H3 MET 1 -7.582 -15.322 -23.627 4 HA MET 1 HA MET 1 -7.659 -17.629 -22.936 5 HB2 MET 1 HB2 MET 1 -5.704 -15.867 -21.438 6 HB3 MET 1 HB3 MET 1 -5.545 -17.614 -21.571 7 HG2 MET 1 HG2 MET 1 -5.491 -15.625 -23.832 8 HG3 MET 1 HG3 MET 1 -4.126 -16.543 -23.191 9 HE1 MET 1 HE1 MET 1 -4.746 -18.127 -26.752 10 HE2 MET 1 HE2 MET 1 -3.560 -17.355 -25.701 11 HE3 MET 1 HE3 MET 1 -4.941 -16.436 -26.298 12 H GLY 2 H GLY 2 -7.953 -19.204 -21.354 13 HA2 GLY 2 HA2 GLY 2 -8.682 -20.119 -19.362 14 HA3 GLY 2 HA3 GLY 2 -8.436 -18.557 -18.597 15 H HIS 3 H HIS 3 -10.740 -20.731 -19.957 16 HA HIS 3 HA HIS 3 -12.858 -18.956 -20.478 17 HB2 HIS 3 HB2 HIS 3 -14.333 -20.966 -20.312 18 HB3 HIS 3 HB3 HIS 3 -12.955 -21.167 -21.385 19 HD1 HIS 3 HD1 HIS 3 -14.563 -22.585 -18.395 20 HD2 HIS 3 HD2 HIS 3 -10.900 -22.898 -20.333 21 HE1 HIS 3 HE1 HIS 3 -13.488 -24.655 -17.475 22 HE2 HIS 3 HE2 HIS 3 -11.204 -24.711 -18.519 23 H HIS 4 H HIS 4 -11.556 -19.805 -17.458 24 HA HIS 4 HA HIS 4 -13.753 -19.549 -15.753 25 HB2 HIS 4 HB2 HIS 4 -12.090 -18.630 -14.083 26 HB3 HIS 4 HB3 HIS 4 -11.653 -20.173 -14.803 27 HD1 HIS 4 HD1 HIS 4 -10.865 -16.482 -15.310 28 HD2 HIS 4 HD2 HIS 4 -9.126 -20.225 -15.784 29 HE1 HIS 4 HE1 HIS 4 -8.496 -16.040 -16.012 30 HE2 HIS 4 HE2 HIS 4 -7.424 -18.310 -16.146 31 H HIS 5 H HIS 5 -15.163 -17.940 -15.432 32 HA HIS 5 HA HIS 5 -14.616 -15.352 -16.694 33 HB2 HIS 5 HB2 HIS 5 -17.239 -16.522 -15.739 34 HB3 HIS 5 HB3 HIS 5 -17.049 -15.017 -16.631 35 HD1 HIS 5 HD1 HIS 5 -18.200 -18.195 -17.275 36 HD2 HIS 5 HD2 HIS 5 -15.359 -15.828 -19.175 37 HE1 HIS 5 HE1 HIS 5 -17.989 -19.125 -19.599 38 HE2 HIS 5 HE2 HIS 5 -16.205 -17.738 -20.699 39 H HIS 6 H HIS 6 -14.252 -13.562 -15.575 40 HA HIS 6 HA HIS 6 -14.422 -13.471 -12.702 41 HB2 HIS 6 HB2 HIS 6 -12.597 -12.288 -13.644 42 HB3 HIS 6 HB3 HIS 6 -13.618 -11.486 -14.830 43 HD1 HIS 6 HD1 HIS 6 -13.304 -11.528 -11.021 44 HD2 HIS 6 HD2 HIS 6 -14.160 -8.931 -14.152 45 HE1 HIS 6 HE1 HIS 6 -13.593 -9.270 -9.964 46 HE2 HIS 6 HE2 HIS 6 -14.231 -7.743 -11.859 47 H HIS 7 H HIS 7 -16.290 -13.131 -11.649 48 HA HIS 7 HA HIS 7 -18.437 -11.601 -12.955 49 HB2 HIS 7 HB2 HIS 7 -18.506 -13.338 -10.471 50 HB3 HIS 7 HB3 HIS 7 -19.901 -12.539 -11.195 51 HD1 HIS 7 HD1 HIS 7 -20.755 -13.499 -13.482 52 HD2 HIS 7 HD2 HIS 7 -17.705 -15.700 -11.710 53 HE1 HIS 7 HE1 HIS 7 -20.717 -15.697 -14.696 54 HE2 HIS 7 HE2 HIS 7 -18.938 -17.046 -13.540 55 H HIS 8 H HIS 8 -19.069 -9.627 -12.274 56 HA HIS 8 HA HIS 8 -17.628 -8.081 -10.456 57 HB2 HIS 8 HB2 HIS 8 -19.623 -6.531 -10.509 58 HB3 HIS 8 HB3 HIS 8 -18.978 -6.972 -12.085 59 HD1 HIS 8 HD1 HIS 8 -21.905 -7.755 -9.809 60 HD2 HIS 8 HD2 HIS 8 -20.774 -8.170 -13.786 61 HE1 HIS 8 HE1 HIS 8 -23.964 -8.522 -11.015 62 HE2 HIS 8 HE2 HIS 8 -23.209 -8.941 -13.376 63 H SER 9 H SER 9 -17.319 -9.096 -8.488 64 HA SER 9 HA SER 9 -19.703 -9.374 -6.763 65 HB2 SER 9 HB2 SER 9 -18.559 -11.314 -5.677 66 HB3 SER 9 HB3 SER 9 -18.962 -11.602 -7.369 67 HG SER 9 HG SER 9 -16.865 -11.457 -7.920 68 H HIS 10 H HIS 10 -18.511 -9.960 -4.373 69 HA HIS 10 HA HIS 10 -17.207 -7.407 -3.748 70 HB2 HIS 10 HB2 HIS 10 -18.422 -9.461 -1.880 71 HB3 HIS 10 HB3 HIS 10 -17.835 -7.864 -1.425 72 HD1 HIS 10 HD1 HIS 10 -19.187 -5.814 -2.660 73 HD2 HIS 10 HD2 HIS 10 -21.058 -9.522 -2.529 74 HE1 HIS 10 HE1 HIS 10 -21.613 -5.363 -3.104 75 HE2 HIS 10 HE2 HIS 10 -22.740 -7.594 -2.883 76 H MET 11 H MET 11 -15.090 -7.309 -3.394 77 HA MET 11 HA MET 11 -13.513 -9.721 -3.093 78 HB2 MET 11 HB2 MET 11 -12.751 -6.795 -3.231 79 HB3 MET 11 HB3 MET 11 -11.584 -8.105 -3.089 80 HG2 MET 11 HG2 MET 11 -13.538 -7.740 -5.357 81 HG3 MET 11 HG3 MET 11 -11.820 -7.338 -5.396 82 HE1 MET 11 HE1 MET 11 -13.238 -9.257 -7.553 83 HE2 MET 11 HE2 MET 11 -12.023 -10.529 -7.691 84 HE3 MET 11 HE3 MET 11 -11.523 -8.841 -7.593 85 H THR 12 H THR 12 -13.264 -10.654 -1.180 86 HA THR 12 HA THR 12 -13.722 -9.165 1.285 87 HB THR 12 HB THR 12 -13.617 -11.434 2.355 88 HG1 THR 12 HG1 THR 12 -12.792 -13.003 1.208 89 HG21 THR 12 HG21 THR 12 -15.736 -12.239 1.423 90 HG22 THR 12 HG22 THR 12 -15.522 -11.200 0.014 91 HG23 THR 12 HG23 THR 12 -15.766 -10.486 1.610 92 H GLY 13 H GLY 13 -11.051 -9.323 -0.454 93 HA2 GLY 13 HA2 GLY 13 -9.100 -10.415 1.325 94 HA3 GLY 13 HA3 GLY 13 -8.783 -9.398 -0.067 95 H ASN 14 H ASN 14 -9.445 -9.429 3.378 96 HA ASN 14 HA ASN 14 -9.422 -6.614 3.782 97 HB2 ASN 14 HB2 ASN 14 -8.702 -8.745 5.810 98 HB3 ASN 14 HB3 ASN 14 -9.266 -7.112 6.147 99 HD21 ASN 14 HD21 ASN 14 -10.159 -10.302 5.189 100 HD22 ASN 14 HD22 ASN 14 -11.865 -10.081 5.285 101 H VAL 15 H VAL 15 -7.571 -5.956 2.515 102 HA VAL 15 HA VAL 15 -4.934 -6.690 3.575 103 HB VAL 15 HB VAL 15 -5.581 -5.095 1.083 104 HG11 VAL 15 HG11 VAL 15 -3.021 -6.412 2.000 105 HG12 VAL 15 HG12 VAL 15 -3.339 -4.678 1.941 106 HG13 VAL 15 HG13 VAL 15 -3.264 -5.614 0.446 107 HG21 VAL 15 HG21 VAL 15 -4.951 -8.040 1.371 108 HG22 VAL 15 HG22 VAL 15 -5.084 -7.169 -0.157 109 HG23 VAL 15 HG23 VAL 15 -6.497 -7.343 0.881 110 H CYS 16 H CYS 16 -4.282 -5.446 5.231 111 HA CYS 16 HA CYS 16 -4.666 -2.518 5.077 112 HB2 CYS 16 HB2 CYS 16 -5.564 -3.560 7.121 113 HB3 CYS 16 HB3 CYS 16 -3.980 -4.239 7.481 114 HG CYS 16 HG CYS 16 -4.912 -1.820 8.982 115 H ILE 17 H ILE 17 -2.742 -1.318 6.269 116 HA ILE 17 HA ILE 17 -0.345 -2.077 4.778 117 HB ILE 17 HB ILE 17 -0.878 0.395 6.448 118 HG12 ILE 17 HG12 ILE 17 -0.974 -0.002 3.440 119 HG13 ILE 17 HG13 ILE 17 -2.371 0.217 4.490 120 HG21 ILE 17 HG21 ILE 17 1.510 -0.066 6.259 121 HG22 ILE 17 HG22 ILE 17 1.079 1.345 5.293 122 HG23 ILE 17 HG23 ILE 17 1.361 -0.209 4.507 123 HD11 ILE 17 HD11 ILE 17 -0.192 2.244 4.034 124 HD12 ILE 17 HD12 ILE 17 -1.626 2.460 5.037 125 HD13 ILE 17 HD13 ILE 17 -1.793 2.259 3.293 126 H GLU 18 H GLU 18 1.226 -3.297 5.703 127 HA GLU 18 HA GLU 18 1.400 -3.644 8.557 128 HB2 GLU 18 HB2 GLU 18 2.020 -5.485 7.028 129 HB3 GLU 18 HB3 GLU 18 3.350 -4.519 6.399 130 HG2 GLU 18 HG2 GLU 18 4.358 -4.483 8.661 131 HG3 GLU 18 HG3 GLU 18 3.056 -5.520 9.233 132 H GLU 19 H GLU 19 3.418 -2.019 6.099 133 HA GLU 19 HA GLU 19 4.386 -0.143 8.084 134 HB2 GLU 19 HB2 GLU 19 5.855 -2.225 8.258 135 HB3 GLU 19 HB3 GLU 19 6.442 -1.826 6.649 136 HG2 GLU 19 HG2 GLU 19 8.007 -0.981 8.231 137 HG3 GLU 19 HG3 GLU 19 7.156 0.393 7.524 138 H ILE 20 H ILE 20 5.474 1.679 7.194 139 HA ILE 20 HA ILE 20 5.440 1.862 4.239 140 HB ILE 20 HB ILE 20 5.032 4.181 6.151 141 HG12 ILE 20 HG12 ILE 20 2.971 2.724 4.462 142 HG13 ILE 20 HG13 ILE 20 3.115 2.603 6.212 143 HG21 ILE 20 HG21 ILE 20 4.756 3.982 3.146 144 HG22 ILE 20 HG22 ILE 20 6.038 4.816 4.023 145 HG23 ILE 20 HG23 ILE 20 4.377 5.406 4.117 146 HD11 ILE 20 HD11 ILE 20 1.313 4.095 5.599 147 HD12 ILE 20 HD12 ILE 20 2.424 5.090 4.658 148 HD13 ILE 20 HD13 ILE 20 2.599 4.990 6.410 149 H ASP 21 H ASP 21 7.364 2.312 3.308 150 HA ASP 21 HA ASP 21 9.716 2.292 4.899 151 HB2 ASP 21 HB2 ASP 21 9.719 1.203 2.769 152 HB3 ASP 21 HB3 ASP 21 9.250 2.683 1.944 153 H VAL 22 H VAL 22 11.263 3.834 5.270 154 HA VAL 22 HA VAL 22 10.389 6.628 5.030 155 HB VAL 22 HB VAL 22 11.018 5.783 7.274 156 HG11 VAL 22 HG11 VAL 22 13.801 5.530 6.124 157 HG12 VAL 22 HG12 VAL 22 12.756 4.197 6.609 158 HG13 VAL 22 HG13 VAL 22 13.359 5.328 7.819 159 HG21 VAL 22 HG21 VAL 22 12.431 7.665 7.924 160 HG22 VAL 22 HG22 VAL 22 11.214 8.177 6.753 161 HG23 VAL 22 HG23 VAL 22 12.884 7.929 6.238 162 H ASP 23 H ASP 23 12.668 4.416 3.702 163 HA ASP 23 HA ASP 23 14.718 6.195 2.892 164 HB2 ASP 23 HB2 ASP 23 14.877 3.694 2.928 165 HB3 ASP 23 HB3 ASP 23 13.806 3.643 1.535 166 H GLY 24 H GLY 24 11.695 5.161 1.382 167 HA2 GLY 24 HA2 GLY 24 10.472 6.935 0.171 168 HA3 GLY 24 HA3 GLY 24 11.997 7.353 -0.593 169 H LYS 25 H LYS 25 11.128 4.000 -0.134 170 HA LYS 25 HA LYS 25 10.850 3.771 -3.061 171 HB2 LYS 25 HB2 LYS 25 12.006 1.816 -1.069 172 HB3 LYS 25 HB3 LYS 25 11.708 1.431 -2.761 173 HG2 LYS 25 HG2 LYS 25 13.243 3.293 -3.392 174 HG3 LYS 25 HG3 LYS 25 13.614 3.503 -1.678 175 HD2 LYS 25 HD2 LYS 25 14.508 1.255 -1.552 176 HD3 LYS 25 HD3 LYS 25 14.020 0.928 -3.215 177 HE2 LYS 25 HE2 LYS 25 16.391 1.393 -3.139 178 HE3 LYS 25 HE3 LYS 25 15.559 2.694 -3.989 179 HZ1 LYS 25 HZ1 LYS 25 15.604 3.937 -1.830 180 HZ2 LYS 25 HZ2 LYS 25 17.121 3.675 -2.534 181 HZ3 LYS 25 HZ3 LYS 25 16.621 2.735 -1.225 182 H PHE 26 H PHE 26 9.784 1.930 -0.112 183 HA PHE 26 HA PHE 26 7.546 0.987 -1.804 184 HB2 PHE 26 HB2 PHE 26 7.738 -1.224 -0.794 185 HB3 PHE 26 HB3 PHE 26 9.234 -0.747 -1.581 186 HD1 PHE 26 HD1 PHE 26 7.602 -1.401 1.638 187 HD2 PHE 26 HD2 PHE 26 11.250 -0.362 -0.302 188 HE1 PHE 26 HE1 PHE 26 8.838 -1.915 3.698 189 HE2 PHE 26 HE2 PHE 26 12.491 -0.871 1.763 190 HZ PHE 26 HZ PHE 26 11.287 -1.651 3.765 191 H ILE 27 H ILE 27 5.589 0.429 -0.887 192 HA ILE 27 HA ILE 27 5.163 1.072 1.971 193 HB ILE 27 HB ILE 27 3.146 1.354 -0.283 194 HG12 ILE 27 HG12 ILE 27 4.530 3.519 1.333 195 HG13 ILE 27 HG13 ILE 27 4.925 3.100 -0.331 196 HG21 ILE 27 HG21 ILE 27 2.929 2.026 2.659 197 HG22 ILE 27 HG22 ILE 27 2.086 0.728 1.811 198 HG23 ILE 27 HG23 ILE 27 1.717 2.409 1.434 199 HD11 ILE 27 HD11 ILE 27 3.547 5.087 -0.241 200 HD12 ILE 27 HD12 ILE 27 2.301 4.210 0.648 201 HD13 ILE 27 HD13 ILE 27 2.673 3.768 -1.018 202 H ARG 28 H ARG 28 4.848 -0.820 3.057 203 HA ARG 28 HA ARG 28 4.106 -3.191 1.517 204 HB2 ARG 28 HB2 ARG 28 6.100 -3.430 2.802 205 HB3 ARG 28 HB3 ARG 28 5.309 -2.849 4.262 206 HG2 ARG 28 HG2 ARG 28 4.063 -4.847 4.502 207 HG3 ARG 28 HG3 ARG 28 4.464 -5.387 2.868 208 HD2 ARG 28 HD2 ARG 28 6.488 -5.005 5.081 209 HD3 ARG 28 HD3 ARG 28 5.732 -6.550 4.686 210 HE ARG 28 HE ARG 28 6.730 -5.951 2.334 211 HH11 ARG 28 HH11 ARG 28 8.214 -5.493 5.409 212 HH12 ARG 28 HH12 ARG 28 9.805 -5.771 4.792 213 HH21 ARG 28 HH21 ARG 28 8.765 -6.308 1.564 214 HH22 ARG 28 HH22 ARG 28 10.117 -6.219 2.641 215 H LEU 29 H LEU 29 2.062 -3.801 1.418 216 HA LEU 29 HA LEU 29 0.258 -3.348 3.681 217 HB2 LEU 29 HB2 LEU 29 -0.229 -4.202 0.831 218 HB3 LEU 29 HB3 LEU 29 -1.476 -4.278 2.061 219 HG LEU 29 HG LEU 29 -1.147 -1.795 2.412 220 HD11 LEU 29 HD11 LEU 29 1.056 -1.542 1.421 221 HD12 LEU 29 HD12 LEU 29 -0.118 -0.523 0.588 222 HD13 LEU 29 HD13 LEU 29 0.426 -2.030 -0.153 223 HD21 LEU 29 HD21 LEU 29 -3.031 -2.728 1.166 224 HD22 LEU 29 HD22 LEU 29 -2.074 -2.696 -0.315 225 HD23 LEU 29 HD23 LEU 29 -2.510 -1.185 0.487 226 H LYS 30 H LYS 30 -1.480 -5.361 3.688 227 HA LYS 30 HA LYS 30 -0.213 -7.939 3.816 228 HB2 LYS 30 HB2 LYS 30 0.826 -6.637 5.707 229 HB3 LYS 30 HB3 LYS 30 -0.767 -6.519 6.430 230 HG2 LYS 30 HG2 LYS 30 -0.854 -8.931 6.705 231 HG3 LYS 30 HG3 LYS 30 0.708 -9.094 5.892 232 HD2 LYS 30 HD2 LYS 30 1.679 -7.599 7.666 233 HD3 LYS 30 HD3 LYS 30 0.141 -7.711 8.517 234 HE2 LYS 30 HE2 LYS 30 0.420 -10.072 8.837 235 HE3 LYS 30 HE3 LYS 30 1.835 -10.097 7.781 236 HZ1 LYS 30 HZ1 LYS 30 2.500 -10.117 10.091 237 HZ2 LYS 30 HZ2 LYS 30 1.633 -8.693 10.388 238 HZ3 LYS 30 HZ3 LYS 30 2.980 -8.665 9.367 239 H ASN 31 H ASN 31 -1.840 -9.359 3.490 240 HA ASN 31 HA ASN 31 -4.593 -8.628 3.843 241 HB2 ASN 31 HB2 ASN 31 -3.983 -10.095 2.017 242 HB3 ASN 31 HB3 ASN 31 -3.305 -11.274 3.131 243 HD21 ASN 31 HD21 ASN 31 -4.672 -12.863 2.275 244 HD22 ASN 31 HD22 ASN 31 -6.351 -12.926 2.666 245 H THR 32 H THR 32 -5.075 -8.258 5.980 246 HA THR 32 HA THR 32 -4.365 -10.172 8.036 247 HB THR 32 HB THR 32 -5.611 -8.677 9.575 248 HG1 THR 32 HG1 THR 32 -7.117 -7.939 7.856 249 HG21 THR 32 HG21 THR 32 -3.686 -7.220 7.748 250 HG22 THR 32 HG22 THR 32 -3.240 -8.236 9.121 251 HG23 THR 32 HG23 THR 32 -4.123 -6.733 9.387 252 H SER 33 H SER 33 -5.434 -12.059 7.382 253 HA SER 33 HA SER 33 -8.197 -12.244 8.243 254 HB2 SER 33 HB2 SER 33 -9.001 -13.284 6.150 255 HB3 SER 33 HB3 SER 33 -8.483 -11.620 5.887 256 HG SER 33 HG SER 33 -6.881 -12.287 4.677 257 H GLU 34 H GLU 34 -8.972 -14.642 7.853 258 HA GLU 34 HA GLU 34 -6.801 -16.355 8.870 259 HB2 GLU 34 HB2 GLU 34 -9.807 -16.665 9.043 260 HB3 GLU 34 HB3 GLU 34 -8.643 -17.794 9.721 261 HG2 GLU 34 HG2 GLU 34 -7.802 -16.022 11.203 262 HG3 GLU 34 HG3 GLU 34 -9.000 -14.912 10.537 263 H GLN 35 H GLN 35 -8.011 -15.787 5.922 264 HA GLN 35 HA GLN 35 -7.658 -18.535 5.001 265 HB2 GLN 35 HB2 GLN 35 -10.066 -18.298 5.613 266 HB3 GLN 35 HB3 GLN 35 -10.205 -16.996 4.442 267 HG2 GLN 35 HG2 GLN 35 -9.718 -18.528 2.629 268 HG3 GLN 35 HG3 GLN 35 -9.456 -19.840 3.779 269 HE21 GLN 35 HE21 GLN 35 -11.387 -19.678 1.595 270 HE22 GLN 35 HE22 GLN 35 -12.940 -19.880 2.325 271 H ASP 36 H ASP 36 -7.277 -18.708 2.724 272 HA ASP 36 HA ASP 36 -5.893 -16.601 1.505 273 HB2 ASP 36 HB2 ASP 36 -7.220 -18.948 0.117 274 HB3 ASP 36 HB3 ASP 36 -5.870 -17.992 -0.492 275 H GLN 37 H GLN 37 -6.633 -14.757 0.622 276 HA GLN 37 HA GLN 37 -9.464 -14.636 -0.246 277 HB2 GLN 37 HB2 GLN 37 -7.773 -12.405 0.916 278 HB3 GLN 37 HB3 GLN 37 -9.466 -12.288 0.460 279 HG2 GLN 37 HG2 GLN 37 -8.381 -14.049 2.652 280 HG3 GLN 37 HG3 GLN 37 -9.118 -12.468 2.891 281 HE21 GLN 37 HE21 GLN 37 -9.698 -15.796 2.077 282 HE22 GLN 37 HE22 GLN 37 -11.415 -15.744 2.250 283 HA PRO 38 HA PRO 38 -7.950 -12.787 -4.108 284 HB2 PRO 38 HB2 PRO 38 -10.223 -10.974 -4.274 285 HB3 PRO 38 HB3 PRO 38 -9.894 -12.417 -5.231 286 HG2 PRO 38 HG2 PRO 38 -11.931 -12.235 -3.417 287 HG3 PRO 38 HG3 PRO 38 -11.156 -13.759 -3.878 288 HD2 PRO 38 HD2 PRO 38 -10.735 -12.085 -1.430 289 HD3 PRO 38 HD3 PRO 38 -10.790 -13.854 -1.593 290 H MET 39 H MET 39 -6.755 -10.926 -4.725 291 HA MET 39 HA MET 39 -5.789 -9.252 -2.738 292 HB2 MET 39 HB2 MET 39 -4.619 -9.574 -4.853 293 HB3 MET 39 HB3 MET 39 -5.884 -8.703 -5.713 294 HG2 MET 39 HG2 MET 39 -3.885 -7.329 -5.350 295 HG3 MET 39 HG3 MET 39 -5.307 -6.654 -4.552 296 HE1 MET 39 HE1 MET 39 -2.422 -5.645 -3.858 297 HE2 MET 39 HE2 MET 39 -2.442 -5.637 -2.094 298 HE3 MET 39 HE3 MET 39 -3.849 -5.070 -2.994 299 H GLY 40 H GLY 40 -8.090 -8.245 -5.305 300 HA2 GLY 40 HA2 GLY 40 -10.152 -7.150 -4.722 301 HA3 GLY 40 HA3 GLY 40 -9.363 -6.480 -3.306 302 H GLY 41 H GLY 41 -10.906 -5.173 -5.445 303 HA2 GLY 41 HA2 GLY 41 -8.989 -3.585 -6.941 304 HA3 GLY 41 HA3 GLY 41 -10.737 -3.432 -6.985 305 H TRP 42 H TRP 42 -8.183 -3.070 -4.515 306 HA TRP 42 HA TRP 42 -9.553 -0.854 -3.263 307 HB2 TRP 42 HB2 TRP 42 -6.714 -1.785 -2.754 308 HB3 TRP 42 HB3 TRP 42 -7.755 -0.877 -1.662 309 HD1 TRP 42 HD1 TRP 42 -6.858 -4.381 -2.695 310 HE1 TRP 42 HE1 TRP 42 -8.175 -6.070 -1.275 311 HE3 TRP 42 HE3 TRP 42 -10.142 -1.171 -0.443 312 HZ2 TRP 42 HZ2 TRP 42 -10.317 -6.052 0.545 313 HZ3 TRP 42 HZ3 TRP 42 -11.793 -2.098 1.131 314 HH2 TRP 42 HH2 TRP 42 -11.877 -4.487 1.612 315 H GLU 43 H GLU 43 -8.306 1.240 -2.829 316 HA GLU 43 HA GLU 43 -6.374 1.879 -4.949 317 HB2 GLU 43 HB2 GLU 43 -8.598 2.711 -5.657 318 HB3 GLU 43 HB3 GLU 43 -8.672 3.704 -4.207 319 HG2 GLU 43 HG2 GLU 43 -6.876 5.067 -4.934 320 HG3 GLU 43 HG3 GLU 43 -6.449 3.942 -6.219 321 H MET 44 H MET 44 -4.590 2.717 -4.174 322 HA MET 44 HA MET 44 -4.459 3.672 -1.421 323 HB2 MET 44 HB2 MET 44 -2.817 2.020 -2.095 324 HB3 MET 44 HB3 MET 44 -2.317 3.013 -3.457 325 HG2 MET 44 HG2 MET 44 -1.454 4.696 -1.922 326 HG3 MET 44 HG3 MET 44 -1.987 3.727 -0.550 327 HE1 MET 44 HE1 MET 44 -0.392 2.437 -3.911 328 HE2 MET 44 HE2 MET 44 1.318 2.388 -3.483 329 HE3 MET 44 HE3 MET 44 0.487 3.937 -3.609 330 H ILE 45 H ILE 45 -4.954 5.803 -1.192 331 HA ILE 45 HA ILE 45 -3.964 7.740 -3.168 332 HB ILE 45 HB ILE 45 -5.837 8.153 -0.822 333 HG12 ILE 45 HG12 ILE 45 -7.485 8.675 -2.719 334 HG13 ILE 45 HG13 ILE 45 -6.323 7.919 -3.803 335 HG21 ILE 45 HG21 ILE 45 -6.205 10.408 -1.748 336 HG22 ILE 45 HG22 ILE 45 -4.940 10.112 -2.941 337 HG23 ILE 45 HG23 ILE 45 -4.539 10.163 -1.224 338 HD11 ILE 45 HD11 ILE 45 -6.543 5.823 -2.581 339 HD12 ILE 45 HD12 ILE 45 -8.108 6.391 -3.159 340 HD13 ILE 45 HD13 ILE 45 -7.673 6.585 -1.462 341 H ARG 46 H ARG 46 -1.990 8.586 -2.817 342 HA ARG 46 HA ARG 46 -0.824 8.607 -0.158 343 HB2 ARG 46 HB2 ARG 46 0.593 8.005 -2.056 344 HB3 ARG 46 HB3 ARG 46 0.273 9.559 -2.817 345 HG2 ARG 46 HG2 ARG 46 1.376 10.680 -0.896 346 HG3 ARG 46 HG3 ARG 46 1.773 9.092 -0.240 347 HD2 ARG 46 HD2 ARG 46 3.126 8.595 -2.200 348 HD3 ARG 46 HD3 ARG 46 2.669 10.135 -2.933 349 HE ARG 46 HE ARG 46 4.022 10.217 -0.352 350 HH11 ARG 46 HH11 ARG 46 4.258 10.565 -3.769 351 HH12 ARG 46 HH12 ARG 46 5.683 11.543 -3.674 352 HH21 ARG 46 HH21 ARG 46 5.893 11.446 -0.265 353 HH22 ARG 46 HH22 ARG 46 6.594 12.010 -1.740 354 H LYS 47 H LYS 47 -1.865 10.139 1.093 355 HA LYS 47 HA LYS 47 -2.070 12.881 0.085 356 HB2 LYS 47 HB2 LYS 47 -3.142 11.540 2.568 357 HB3 LYS 47 HB3 LYS 47 -3.249 13.277 2.300 358 HG2 LYS 47 HG2 LYS 47 -4.528 12.865 0.239 359 HG3 LYS 47 HG3 LYS 47 -4.457 11.130 0.559 360 HD2 LYS 47 HD2 LYS 47 -5.730 11.401 2.598 361 HD3 LYS 47 HD3 LYS 47 -5.678 13.158 2.441 362 HE2 LYS 47 HE2 LYS 47 -6.999 11.305 0.455 363 HE3 LYS 47 HE3 LYS 47 -7.845 12.149 1.752 364 HZ1 LYS 47 HZ1 LYS 47 -6.280 13.521 -0.362 365 HZ2 LYS 47 HZ2 LYS 47 -7.289 14.238 0.788 366 HZ3 LYS 47 HZ3 LYS 47 -7.951 13.277 -0.435 367 H ILE 48 H ILE 48 -0.780 14.500 0.676 368 HA ILE 48 HA ILE 48 0.807 14.355 3.114 369 HB ILE 48 HB ILE 48 2.140 13.198 1.330 370 HG12 ILE 48 HG12 ILE 48 3.377 15.769 2.371 371 HG13 ILE 48 HG13 ILE 48 3.220 14.278 3.292 372 HG21 ILE 48 HG21 ILE 48 2.254 15.943 0.072 373 HG22 ILE 48 HG22 ILE 48 1.421 14.532 -0.580 374 HG23 ILE 48 HG23 ILE 48 3.178 14.530 -0.440 375 HD11 ILE 48 HD11 ILE 48 5.472 14.545 2.434 376 HD12 ILE 48 HD12 ILE 48 4.852 14.642 0.785 377 HD13 ILE 48 HD13 ILE 48 4.690 13.144 1.702 378 H GLY 49 H GLY 49 -1.340 16.041 1.770 379 HA2 GLY 49 HA2 GLY 49 -1.817 18.264 2.489 380 HA3 GLY 49 HA3 GLY 49 -0.103 18.631 2.430 381 H ASP 50 H ASP 50 0.778 18.227 0.027 382 HA ASP 50 HA ASP 50 -0.657 20.176 -1.558 383 HB2 ASP 50 HB2 ASP 50 1.924 18.713 -2.163 384 HB3 ASP 50 HB3 ASP 50 1.300 20.113 -3.033 385 H THR 51 H THR 51 0.714 16.987 -2.462 386 HA THR 51 HA THR 51 -1.230 16.822 -4.653 387 HB THR 51 HB THR 51 1.105 16.441 -5.262 388 HG1 THR 51 HG1 THR 51 0.736 14.603 -6.457 389 HG21 THR 51 HG21 THR 51 2.328 14.474 -4.467 390 HG22 THR 51 HG22 THR 51 0.990 14.067 -3.392 391 HG23 THR 51 HG23 THR 51 1.918 15.543 -3.125 392 H SER 52 H SER 52 -1.921 14.476 -5.185 393 HA SER 52 HA SER 52 -2.538 12.874 -2.813 394 HB2 SER 52 HB2 SER 52 -4.940 12.784 -3.307 395 HB3 SER 52 HB3 SER 52 -4.439 14.447 -3.013 396 HG SER 52 HG SER 52 -4.509 14.837 -5.223 397 H VAL 53 H VAL 53 -0.839 12.457 -5.122 398 HA VAL 53 HA VAL 53 -1.839 10.949 -7.188 399 HB VAL 53 HB VAL 53 0.488 11.599 -7.129 400 HG11 VAL 53 HG11 VAL 53 0.922 11.374 -4.749 401 HG12 VAL 53 HG12 VAL 53 2.127 10.481 -5.679 402 HG13 VAL 53 HG13 VAL 53 0.816 9.616 -4.874 403 HG21 VAL 53 HG21 VAL 53 1.551 9.514 -7.886 404 HG22 VAL 53 HG22 VAL 53 -0.079 9.684 -8.537 405 HG23 VAL 53 HG23 VAL 53 0.223 8.585 -7.191 406 H SER 54 H SER 54 -2.717 8.975 -7.451 407 HA SER 54 HA SER 54 -2.940 7.267 -5.047 408 HB2 SER 54 HB2 SER 54 -5.153 6.581 -5.901 409 HB3 SER 54 HB3 SER 54 -5.062 8.324 -5.654 410 HG SER 54 HG SER 54 -5.078 8.661 -7.781 411 H TYR 55 H TYR 55 -3.750 4.982 -5.685 412 HA TYR 55 HA TYR 55 -2.713 3.955 -8.195 413 HB2 TYR 55 HB2 TYR 55 -0.706 3.802 -6.881 414 HB3 TYR 55 HB3 TYR 55 -1.581 3.125 -5.514 415 HD1 TYR 55 HD1 TYR 55 -0.731 2.381 -9.081 416 HD2 TYR 55 HD2 TYR 55 -1.631 0.801 -5.226 417 HE1 TYR 55 HE1 TYR 55 -0.241 0.114 -9.897 418 HE2 TYR 55 HE2 TYR 55 -1.140 -1.467 -6.034 419 HH TYR 55 HH TYR 55 0.446 -2.088 -8.944 420 H LYS 56 H LYS 56 -4.560 2.975 -8.865 421 HA LYS 56 HA LYS 56 -6.216 1.420 -7.082 422 HB2 LYS 56 HB2 LYS 56 -7.207 2.589 -8.999 423 HB3 LYS 56 HB3 LYS 56 -6.232 1.633 -10.107 424 HG2 LYS 56 HG2 LYS 56 -7.394 -0.399 -9.373 425 HG3 LYS 56 HG3 LYS 56 -8.371 0.564 -8.263 426 HD2 LYS 56 HD2 LYS 56 -8.318 1.107 -11.228 427 HD3 LYS 56 HD3 LYS 56 -9.411 -0.079 -10.516 428 HE2 LYS 56 HE2 LYS 56 -10.615 1.969 -10.759 429 HE3 LYS 56 HE3 LYS 56 -10.307 1.732 -9.044 430 HZ1 LYS 56 HZ1 LYS 56 -8.560 3.351 -9.125 431 HZ2 LYS 56 HZ2 LYS 56 -9.948 4.025 -9.811 432 HZ3 LYS 56 HZ3 LYS 56 -8.692 3.494 -10.807 433 H TYR 57 H TYR 57 -5.883 -0.644 -6.520 434 HA TYR 57 HA TYR 57 -3.471 -1.930 -7.297 435 HB2 TYR 57 HB2 TYR 57 -5.778 -2.827 -5.569 436 HB3 TYR 57 HB3 TYR 57 -4.337 -3.807 -5.830 437 HD1 TYR 57 HD1 TYR 57 -5.474 -0.505 -4.531 438 HD2 TYR 57 HD2 TYR 57 -2.392 -3.444 -4.552 439 HE1 TYR 57 HE1 TYR 57 -4.328 0.688 -2.715 440 HE2 TYR 57 HE2 TYR 57 -1.243 -2.254 -2.738 441 HH TYR 57 HH TYR 57 -2.698 0.189 -0.922 442 H THR 58 H THR 58 -3.068 -3.235 -8.924 443 HA THR 58 HA THR 58 -5.098 -4.243 -10.662 444 HB THR 58 HB THR 58 -3.010 -3.718 -11.670 445 HG1 THR 58 HG1 THR 58 -2.429 -5.823 -12.579 446 HG21 THR 58 HG21 THR 58 -1.710 -5.717 -9.810 447 HG22 THR 58 HG22 THR 58 -1.531 -3.962 -9.742 448 HG23 THR 58 HG23 THR 58 -0.905 -4.860 -11.123 449 H SER 59 H SER 59 -6.438 -5.490 -9.291 450 HA SER 59 HA SER 59 -5.476 -7.739 -7.809 451 HB2 SER 59 HB2 SER 59 -7.558 -6.590 -7.189 452 HB3 SER 59 HB3 SER 59 -8.303 -7.090 -8.706 453 HG SER 59 HG SER 59 -8.548 -9.072 -7.952 454 H ARG 60 H ARG 60 -4.187 -8.613 -9.619 455 HA ARG 60 HA ARG 60 -5.739 -10.149 -11.590 456 HB2 ARG 60 HB2 ARG 60 -3.506 -10.440 -12.722 457 HB3 ARG 60 HB3 ARG 60 -4.076 -8.778 -12.619 458 HG2 ARG 60 HG2 ARG 60 -2.589 -8.345 -10.749 459 HG3 ARG 60 HG3 ARG 60 -2.054 -10.027 -10.759 460 HD2 ARG 60 HD2 ARG 60 -1.071 -9.742 -12.949 461 HD3 ARG 60 HD3 ARG 60 -1.712 -8.102 -13.061 462 HE ARG 60 HE ARG 60 -0.236 -7.696 -11.011 463 HH11 ARG 60 HH11 ARG 60 0.554 -9.969 -13.477 464 HH12 ARG 60 HH12 ARG 60 2.256 -9.756 -13.274 465 HH21 ARG 60 HH21 ARG 60 1.961 -7.433 -10.766 466 HH22 ARG 60 HH22 ARG 60 3.047 -8.316 -11.784 467 H TYR 61 H TYR 61 -4.688 -10.722 -8.590 468 HA TYR 61 HA TYR 61 -4.599 -13.572 -8.977 469 HB2 TYR 61 HB2 TYR 61 -2.416 -13.936 -7.887 470 HB3 TYR 61 HB3 TYR 61 -2.249 -13.056 -9.400 471 HD1 TYR 61 HD1 TYR 61 -1.657 -10.656 -9.382 472 HD2 TYR 61 HD2 TYR 61 -1.820 -12.921 -5.776 473 HE1 TYR 61 HE1 TYR 61 -0.378 -8.904 -8.230 474 HE2 TYR 61 HE2 TYR 61 -0.538 -11.172 -4.616 475 HH TYR 61 HH TYR 61 1.068 -9.340 -5.229 476 H VAL 62 H VAL 62 -4.440 -14.759 -6.864 477 HA VAL 62 HA VAL 62 -6.008 -13.362 -4.843 478 HB VAL 62 HB VAL 62 -6.236 -15.575 -3.769 479 HG11 VAL 62 HG11 VAL 62 -6.836 -15.589 -6.733 480 HG12 VAL 62 HG12 VAL 62 -7.850 -14.892 -5.470 481 HG13 VAL 62 HG13 VAL 62 -7.584 -16.634 -5.524 482 HG21 VAL 62 HG21 VAL 62 -4.079 -16.548 -4.352 483 HG22 VAL 62 HG22 VAL 62 -4.523 -16.561 -6.062 484 HG23 VAL 62 HG23 VAL 62 -5.386 -17.590 -4.918 485 H LEU 63 H LEU 63 -5.418 -13.053 -2.712 486 HA LEU 63 HA LEU 63 -2.524 -13.204 -2.162 487 HB2 LEU 63 HB2 LEU 63 -3.707 -10.943 -2.290 488 HB3 LEU 63 HB3 LEU 63 -4.521 -11.391 -0.805 489 HG LEU 63 HG LEU 63 -2.312 -11.579 0.319 490 HD11 LEU 63 HD11 LEU 63 -0.936 -12.080 -1.629 491 HD12 LEU 63 HD12 LEU 63 -0.329 -10.657 -0.784 492 HD13 LEU 63 HD13 LEU 63 -1.244 -10.469 -2.278 493 HD21 LEU 63 HD21 LEU 63 -1.878 -9.172 0.453 494 HD22 LEU 63 HD22 LEU 63 -3.609 -9.514 0.479 495 HD23 LEU 63 HD23 LEU 63 -2.851 -8.912 -0.996 496 H LYS 64 H LYS 64 -1.854 -14.528 -0.591 497 HA LYS 64 HA LYS 64 -3.641 -16.235 0.796 498 HB2 LYS 64 HB2 LYS 64 -0.687 -15.760 1.261 499 HB3 LYS 64 HB3 LYS 64 -1.615 -17.111 1.904 500 HG2 LYS 64 HG2 LYS 64 -2.034 -17.944 -0.325 501 HG3 LYS 64 HG3 LYS 64 -1.224 -16.545 -1.034 502 HD2 LYS 64 HD2 LYS 64 0.882 -17.233 0.035 503 HD3 LYS 64 HD3 LYS 64 0.067 -18.636 0.731 504 HE2 LYS 64 HE2 LYS 64 1.320 -19.262 -1.268 505 HE3 LYS 64 HE3 LYS 64 -0.411 -19.478 -1.521 506 HZ1 LYS 64 HZ1 LYS 64 0.633 -18.458 -3.433 507 HZ2 LYS 64 HZ2 LYS 64 1.213 -17.185 -2.484 508 HZ3 LYS 64 HZ3 LYS 64 -0.450 -17.372 -2.722 509 H ALA 65 H ALA 65 -3.574 -16.611 3.190 510 HA ALA 65 HA ALA 65 -4.394 -14.254 4.569 511 HB1 ALA 65 HB1 ALA 65 -3.855 -17.019 5.660 512 HB2 ALA 65 HB2 ALA 65 -5.392 -16.442 5.016 513 HB3 ALA 65 HB3 ALA 65 -4.731 -15.728 6.486 514 H GLY 66 H GLY 66 -3.207 -12.839 5.698 515 HA2 GLY 66 HA2 GLY 66 -1.510 -11.954 6.990 516 HA3 GLY 66 HA3 GLY 66 -0.872 -13.577 7.200 517 H GLN 67 H GLN 67 -1.300 -12.895 3.928 518 HA GLN 67 HA GLN 67 1.512 -12.951 3.440 519 HB2 GLN 67 HB2 GLN 67 -0.127 -13.976 1.908 520 HB3 GLN 67 HB3 GLN 67 -0.765 -12.381 1.525 521 HG2 GLN 67 HG2 GLN 67 0.696 -13.142 -0.247 522 HG3 GLN 67 HG3 GLN 67 1.405 -11.749 0.564 523 HE21 GLN 67 HE21 GLN 67 1.431 -14.978 1.912 524 HE22 GLN 67 HE22 GLN 67 3.130 -15.220 1.765 525 H THR 68 H THR 68 2.923 -11.347 3.054 526 HA THR 68 HA THR 68 2.019 -8.582 3.346 527 HB THR 68 HB THR 68 4.469 -8.065 3.512 528 HG1 THR 68 HG1 THR 68 5.196 -9.939 2.314 529 HG21 THR 68 HG21 THR 68 3.158 -8.450 5.540 530 HG22 THR 68 HG22 THR 68 4.790 -9.092 5.729 531 HG23 THR 68 HG23 THR 68 3.441 -10.186 5.412 532 H VAL 69 H VAL 69 1.232 -7.889 1.393 533 HA VAL 69 HA VAL 69 2.890 -8.185 -1.004 534 HB VAL 69 HB VAL 69 0.525 -8.628 -1.327 535 HG11 VAL 69 HG11 VAL 69 0.029 -5.799 -0.381 536 HG12 VAL 69 HG12 VAL 69 -0.408 -7.276 0.477 537 HG13 VAL 69 HG13 VAL 69 -1.184 -6.886 -1.057 538 HG21 VAL 69 HG21 VAL 69 0.068 -7.120 -3.193 539 HG22 VAL 69 HG22 VAL 69 1.760 -7.617 -3.185 540 HG23 VAL 69 HG23 VAL 69 1.309 -6.008 -2.618 541 H THR 70 H THR 70 4.400 -6.698 -1.405 542 HA THR 70 HA THR 70 4.190 -4.079 -0.077 543 HB THR 70 HB THR 70 6.631 -5.303 -1.387 544 HG1 THR 70 HG1 THR 70 6.477 -6.608 0.283 545 HG21 THR 70 HG21 THR 70 6.344 -3.047 0.609 546 HG22 THR 70 HG22 THR 70 6.743 -2.866 -1.100 547 HG23 THR 70 HG23 THR 70 7.864 -3.687 -0.013 548 H ILE 71 H ILE 71 3.938 -2.238 -1.175 549 HA ILE 71 HA ILE 71 3.903 -2.284 -4.093 550 HB ILE 71 HB ILE 71 3.141 -0.030 -2.217 551 HG12 ILE 71 HG12 ILE 71 1.693 -1.970 -1.856 552 HG13 ILE 71 HG13 ILE 71 0.803 -0.695 -2.681 553 HG21 ILE 71 HG21 ILE 71 3.712 0.745 -4.458 554 HG22 ILE 71 HG22 ILE 71 1.980 0.903 -4.168 555 HG23 ILE 71 HG23 ILE 71 2.589 -0.420 -5.162 556 HD11 ILE 71 HD11 ILE 71 1.089 -1.878 -4.801 557 HD12 ILE 71 HD12 ILE 71 0.271 -2.871 -3.596 558 HD13 ILE 71 HD13 ILE 71 1.971 -3.156 -3.964 559 H TRP 72 H TRP 72 5.958 -2.153 -4.871 560 HA TRP 72 HA TRP 72 7.903 -0.316 -3.685 561 HB2 TRP 72 HB2 TRP 72 8.183 -2.267 -5.992 562 HB3 TRP 72 HB3 TRP 72 9.499 -1.355 -5.263 563 HD1 TRP 72 HD1 TRP 72 7.018 -4.188 -4.377 564 HE1 TRP 72 HE1 TRP 72 8.092 -5.657 -2.554 565 HE3 TRP 72 HE3 TRP 72 11.243 -1.443 -3.506 566 HZ2 TRP 72 HZ2 TRP 72 10.418 -5.656 -0.963 567 HZ3 TRP 72 HZ3 TRP 72 12.842 -2.249 -1.815 568 HH2 TRP 72 HH2 TRP 72 12.436 -4.312 -0.571 569 H ALA 73 H ALA 73 8.089 1.746 -4.418 570 HA ALA 73 HA ALA 73 6.711 2.842 -6.572 571 HB1 ALA 73 HB1 ALA 73 7.668 4.179 -4.761 572 HB2 ALA 73 HB2 ALA 73 8.163 4.791 -6.341 573 HB3 ALA 73 HB3 ALA 73 9.291 3.846 -5.366 574 H ALA 74 H ALA 74 7.435 3.662 -8.634 575 HA ALA 74 HA ALA 74 8.444 1.818 -10.358 576 HB1 ALA 74 HB1 ALA 74 8.738 4.808 -10.659 577 HB2 ALA 74 HB2 ALA 74 7.300 3.866 -11.052 578 HB3 ALA 74 HB3 ALA 74 8.789 3.622 -11.964 579 H ASN 75 H ASN 75 10.397 4.263 -8.661 580 HA ASN 75 HA ASN 75 12.844 3.238 -9.903 581 HB2 ASN 75 HB2 ASN 75 12.236 5.683 -8.243 582 HB3 ASN 75 HB3 ASN 75 13.890 5.184 -8.580 583 HD21 ASN 75 HD21 ASN 75 11.370 4.682 -10.940 584 HD22 ASN 75 HD22 ASN 75 11.902 5.898 -12.040 585 H ALA 76 H ALA 76 11.613 1.414 -8.156 586 HA ALA 76 HA ALA 76 13.294 1.418 -5.752 587 HB1 ALA 76 HB1 ALA 76 10.917 0.837 -5.518 588 HB2 ALA 76 HB2 ALA 76 11.974 -0.487 -5.026 589 HB3 ALA 76 HB3 ALA 76 11.157 -0.543 -6.590 590 H GLY 77 H GLY 77 13.602 0.408 -8.909 591 HA2 GLY 77 HA2 GLY 77 15.463 -0.687 -9.808 592 HA3 GLY 77 HA3 GLY 77 15.847 -1.315 -8.215 593 H VAL 78 H VAL 78 13.609 -2.682 -7.510 594 HA VAL 78 HA VAL 78 13.868 -5.153 -8.761 595 HB VAL 78 HB VAL 78 11.446 -4.148 -7.242 596 HG11 VAL 78 HG11 VAL 78 12.411 -6.963 -7.760 597 HG12 VAL 78 HG12 VAL 78 10.955 -6.214 -8.418 598 HG13 VAL 78 HG13 VAL 78 11.083 -6.525 -6.687 599 HG21 VAL 78 HG21 VAL 78 12.517 -5.124 -5.254 600 HG22 VAL 78 HG22 VAL 78 13.492 -3.829 -5.949 601 HG23 VAL 78 HG23 VAL 78 13.942 -5.513 -6.218 602 H THR 79 H THR 79 12.640 -6.317 -10.276 603 HA THR 79 HA THR 79 11.627 -5.000 -12.505 604 HB THR 79 HB THR 79 10.998 -7.814 -11.561 605 HG1 THR 79 HG1 THR 79 13.055 -7.996 -12.089 606 HG21 THR 79 HG21 THR 79 9.338 -7.078 -13.207 607 HG22 THR 79 HG22 THR 79 10.417 -8.287 -13.903 608 HG23 THR 79 HG23 THR 79 10.629 -6.582 -14.300 609 H ALA 80 H ALA 80 9.697 -4.204 -13.115 610 HA ALA 80 HA ALA 80 7.886 -3.305 -11.230 611 HB1 ALA 80 HB1 ALA 80 6.484 -2.605 -13.089 612 HB2 ALA 80 HB2 ALA 80 7.385 -3.657 -14.180 613 HB3 ALA 80 HB3 ALA 80 8.185 -2.280 -13.423 614 H SER 81 H SER 81 7.866 -6.380 -12.859 615 HA SER 81 HA SER 81 5.398 -7.065 -11.400 616 HB2 SER 81 HB2 SER 81 4.949 -6.690 -13.866 617 HB3 SER 81 HB3 SER 81 5.977 -8.083 -14.193 618 HG SER 81 HG SER 81 3.554 -8.342 -13.940 619 HA PRO 82 HA PRO 82 8.860 -9.884 -10.118 620 HB2 PRO 82 HB2 PRO 82 6.939 -10.104 -7.841 621 HB3 PRO 82 HB3 PRO 82 8.700 -9.943 -7.826 622 HG2 PRO 82 HG2 PRO 82 7.161 -7.850 -7.261 623 HG3 PRO 82 HG3 PRO 82 8.626 -7.651 -8.244 624 HD2 PRO 82 HD2 PRO 82 5.755 -7.724 -9.108 625 HD3 PRO 82 HD3 PRO 82 7.088 -6.715 -9.708 626 HA PRO 83 HA PRO 83 5.201 -9.526 -9.673 627 HB2 PRO 83 HB2 PRO 83 2.793 -10.544 -10.105 628 HB3 PRO 83 HB3 PRO 83 3.909 -10.299 -11.455 629 HG2 PRO 83 HG2 PRO 83 3.090 -12.824 -10.121 630 HG3 PRO 83 HG3 PRO 83 3.608 -12.554 -11.793 631 HD2 PRO 83 HD2 PRO 83 5.198 -13.457 -9.553 632 HD3 PRO 83 HD3 PRO 83 5.710 -13.221 -11.237 633 H THR 84 H THR 84 6.078 -11.732 -7.579 634 HA THR 84 HA THR 84 3.987 -12.193 -5.788 635 HB THR 84 HB THR 84 6.137 -13.281 -5.470 636 HG1 THR 84 HG1 THR 84 5.424 -11.606 -3.260 637 HG21 THR 84 HG21 THR 84 7.613 -11.434 -6.146 638 HG22 THR 84 HG22 THR 84 8.084 -12.098 -4.581 639 HG23 THR 84 HG23 THR 84 7.209 -10.571 -4.663 640 H ASP 85 H ASP 85 5.982 -9.310 -6.163 641 HA ASP 85 HA ASP 85 4.184 -7.875 -4.313 642 HB2 ASP 85 HB2 ASP 85 7.005 -7.194 -5.190 643 HB3 ASP 85 HB3 ASP 85 5.992 -6.145 -4.203 644 H LEU 86 H LEU 86 4.018 -5.425 -5.008 645 HA LEU 86 HA LEU 86 3.570 -5.322 -7.933 646 HB2 LEU 86 HB2 LEU 86 1.868 -4.106 -5.750 647 HB3 LEU 86 HB3 LEU 86 1.630 -3.838 -7.468 648 HG LEU 86 HG LEU 86 1.370 -6.502 -6.053 649 HD11 LEU 86 HD11 LEU 86 -1.024 -6.272 -6.513 650 HD12 LEU 86 HD12 LEU 86 -0.747 -4.661 -7.176 651 HD13 LEU 86 HD13 LEU 86 -0.438 -4.979 -5.467 652 HD21 LEU 86 HD21 LEU 86 2.144 -6.759 -8.360 653 HD22 LEU 86 HD22 LEU 86 0.805 -5.761 -8.930 654 HD23 LEU 86 HD23 LEU 86 0.485 -7.324 -8.180 655 H ILE 87 H ILE 87 4.604 -3.713 -8.963 656 HA ILE 87 HA ILE 87 5.935 -1.664 -7.370 657 HB ILE 87 HB ILE 87 6.302 -2.645 -10.183 658 HG12 ILE 87 HG12 ILE 87 8.659 -2.869 -9.431 659 HG13 ILE 87 HG13 ILE 87 8.212 -2.205 -7.863 660 HG21 ILE 87 HG21 ILE 87 7.932 -0.848 -10.604 661 HG22 ILE 87 HG22 ILE 87 7.448 -0.070 -9.096 662 HG23 ILE 87 HG23 ILE 87 6.292 -0.224 -10.418 663 HD11 ILE 87 HD11 ILE 87 8.441 -4.620 -7.783 664 HD12 ILE 87 HD12 ILE 87 7.209 -4.795 -9.033 665 HD13 ILE 87 HD13 ILE 87 6.779 -4.134 -7.454 666 H TRP 88 H TRP 88 5.233 0.329 -7.159 667 HA TRP 88 HA TRP 88 2.868 1.286 -8.461 668 HB2 TRP 88 HB2 TRP 88 3.597 1.790 -6.078 669 HB3 TRP 88 HB3 TRP 88 4.803 2.874 -6.752 670 HD1 TRP 88 HD1 TRP 88 1.678 3.158 -8.730 671 HE1 TRP 88 HE1 TRP 88 0.349 5.245 -8.015 672 HE3 TRP 88 HE3 TRP 88 4.184 4.277 -4.412 673 HZ2 TRP 88 HZ2 TRP 88 0.356 7.108 -5.903 674 HZ3 TRP 88 HZ3 TRP 88 3.452 6.230 -3.102 675 HH2 TRP 88 HH2 TRP 88 1.576 7.615 -3.836 676 H LYS 89 H LYS 89 3.601 1.171 -10.684 677 HA LYS 89 HA LYS 89 5.786 2.673 -11.684 678 HB2 LYS 89 HB2 LYS 89 3.318 1.660 -13.117 679 HB3 LYS 89 HB3 LYS 89 4.768 2.263 -13.911 680 HG2 LYS 89 HG2 LYS 89 6.075 0.442 -13.037 681 HG3 LYS 89 HG3 LYS 89 4.722 -0.110 -12.051 682 HD2 LYS 89 HD2 LYS 89 4.897 -1.526 -13.996 683 HD3 LYS 89 HD3 LYS 89 3.435 -0.549 -14.133 684 HE2 LYS 89 HE2 LYS 89 4.508 -0.594 -16.275 685 HE3 LYS 89 HE3 LYS 89 4.704 1.022 -15.603 686 HZ1 LYS 89 HZ1 LYS 89 6.766 -1.114 -15.526 687 HZ2 LYS 89 HZ2 LYS 89 6.956 0.476 -14.985 688 HZ3 LYS 89 HZ3 LYS 89 6.739 0.166 -16.629 689 H ASN 90 H ASN 90 2.679 3.667 -10.667 690 HA ASN 90 HA ASN 90 2.355 5.948 -12.371 691 HB2 ASN 90 HB2 ASN 90 1.083 5.430 -9.670 692 HB3 ASN 90 HB3 ASN 90 0.508 6.539 -10.911 693 HD21 ASN 90 HD21 ASN 90 -0.566 5.718 -12.700 694 HD22 ASN 90 HD22 ASN 90 -1.114 4.081 -12.780 695 H GLN 91 H GLN 91 4.398 5.359 -9.718 696 HA GLN 91 HA GLN 91 5.150 8.175 -9.637 697 HB2 GLN 91 HB2 GLN 91 3.485 7.910 -7.817 698 HB3 GLN 91 HB3 GLN 91 4.487 6.653 -7.102 699 HG2 GLN 91 HG2 GLN 91 6.330 8.406 -6.976 700 HG3 GLN 91 HG3 GLN 91 5.084 9.591 -7.361 701 HE21 GLN 91 HE21 GLN 91 6.293 7.376 -4.992 702 HE22 GLN 91 HE22 GLN 91 5.338 7.947 -3.673 703 H ASN 92 H ASN 92 7.316 8.499 -9.302 704 HA ASN 92 HA ASN 92 9.058 6.190 -9.158 705 HB2 ASN 92 HB2 ASN 92 9.615 9.163 -9.301 706 HB3 ASN 92 HB3 ASN 92 10.884 7.946 -9.223 707 HD21 ASN 92 HD21 ASN 92 7.860 7.591 -11.005 708 HD22 ASN 92 HD22 ASN 92 8.589 7.597 -12.568 709 H SER 93 H SER 93 11.203 6.965 -7.602 710 HA SER 93 HA SER 93 10.208 6.422 -4.956 711 HB2 SER 93 HB2 SER 93 12.551 6.393 -4.258 712 HB3 SER 93 HB3 SER 93 12.365 5.486 -5.758 713 HG SER 93 HG SER 93 12.889 8.037 -6.362 714 H TRP 94 H TRP 94 9.858 7.810 -3.292 715 HA TRP 94 HA TRP 94 9.904 10.643 -3.986 716 HB2 TRP 94 HB2 TRP 94 8.387 10.953 -2.084 717 HB3 TRP 94 HB3 TRP 94 7.794 9.719 -3.185 718 HD1 TRP 94 HD1 TRP 94 9.154 10.166 0.366 719 HE1 TRP 94 HE1 TRP 94 8.622 8.046 1.726 720 HE3 TRP 94 HE3 TRP 94 7.390 7.191 -3.405 721 HZ2 TRP 94 HZ2 TRP 94 7.589 5.471 1.270 722 HZ3 TRP 94 HZ3 TRP 94 6.647 4.908 -2.851 723 HH2 TRP 94 HH2 TRP 94 6.747 4.069 -0.561 724 H GLY 95 H GLY 95 10.945 12.235 -2.872 725 HA2 GLY 95 HA2 GLY 95 12.924 11.365 -0.852 726 HA3 GLY 95 HA3 GLY 95 13.086 12.774 -1.888 727 H THR 96 H THR 96 10.024 12.123 -0.393 728 HA THR 96 HA THR 96 10.092 14.657 0.981 729 HB THR 96 HB THR 96 7.779 14.091 1.706 730 HG1 THR 96 HG1 THR 96 8.288 11.706 1.633 731 HG21 THR 96 HG21 THR 96 8.153 15.216 -0.441 732 HG22 THR 96 HG22 THR 96 6.763 14.132 -0.520 733 HG23 THR 96 HG23 THR 96 8.300 13.649 -1.239 734 H GLY 97 H GLY 97 10.609 15.030 3.044 735 HA2 GLY 97 HA2 GLY 97 11.195 12.798 4.830 736 HA3 GLY 97 HA3 GLY 97 11.558 14.490 5.117 737 H GLU 98 H GLU 98 8.520 14.799 4.238 738 HA GLU 98 HA GLU 98 7.489 14.987 6.897 739 HB2 GLU 98 HB2 GLU 98 5.928 15.091 4.306 740 HB3 GLU 98 HB3 GLU 98 5.427 15.726 5.868 741 HG2 GLU 98 HG2 GLU 98 7.658 16.751 4.122 742 HG3 GLU 98 HG3 GLU 98 6.110 17.531 4.441 743 H ASP 99 H ASP 99 5.605 13.854 7.756 744 HA ASP 99 HA ASP 99 5.729 11.049 7.353 745 HB2 ASP 99 HB2 ASP 99 3.788 10.961 8.926 746 HB3 ASP 99 HB3 ASP 99 5.157 11.881 9.536 747 H VAL 100 H VAL 100 5.310 10.664 5.171 748 HA VAL 100 HA VAL 100 3.041 11.458 3.750 749 HB VAL 100 HB VAL 100 4.883 10.479 2.559 750 HG11 VAL 100 HG11 VAL 100 5.705 8.938 4.249 751 HG12 VAL 100 HG12 VAL 100 5.474 8.105 2.713 752 HG13 VAL 100 HG13 VAL 100 4.301 7.898 4.013 753 HG21 VAL 100 HG21 VAL 100 2.462 8.681 2.343 754 HG22 VAL 100 HG22 VAL 100 3.721 8.871 1.121 755 HG23 VAL 100 HG23 VAL 100 2.680 10.235 1.536 756 H LYS 101 H LYS 101 0.958 11.048 4.061 757 HA LYS 101 HA LYS 101 0.237 8.841 5.868 758 HB2 LYS 101 HB2 LYS 101 -0.266 11.277 6.438 759 HB3 LYS 101 HB3 LYS 101 -1.478 11.224 5.168 760 HG2 LYS 101 HG2 LYS 101 -2.792 9.662 6.339 761 HG3 LYS 101 HG3 LYS 101 -1.475 9.257 7.441 762 HD2 LYS 101 HD2 LYS 101 -2.813 11.970 7.323 763 HD3 LYS 101 HD3 LYS 101 -3.274 10.691 8.445 764 HE2 LYS 101 HE2 LYS 101 -1.840 12.114 9.672 765 HE3 LYS 101 HE3 LYS 101 -0.858 10.715 9.250 766 HZ1 LYS 101 HZ1 LYS 101 -0.816 13.362 7.897 767 HZ2 LYS 101 HZ2 LYS 101 0.094 12.022 7.421 768 HZ3 LYS 101 HZ3 LYS 101 0.381 12.741 8.918 769 H VAL 102 H VAL 102 -0.163 7.105 4.658 770 HA VAL 102 HA VAL 102 -1.331 7.276 2.022 771 HB VAL 102 HB VAL 102 -0.473 4.874 3.653 772 HG11 VAL 102 HG11 VAL 102 -2.106 4.240 1.964 773 HG12 VAL 102 HG12 VAL 102 -0.503 3.658 1.515 774 HG13 VAL 102 HG13 VAL 102 -1.177 5.083 0.722 775 HG21 VAL 102 HG21 VAL 102 1.525 4.890 2.222 776 HG22 VAL 102 HG22 VAL 102 1.380 6.382 3.155 777 HG23 VAL 102 HG23 VAL 102 0.953 6.367 1.444 778 H ILE 103 H ILE 103 -3.367 6.810 1.427 779 HA ILE 103 HA ILE 103 -5.289 5.953 3.504 780 HB ILE 103 HB ILE 103 -5.866 7.523 0.980 781 HG12 ILE 103 HG12 ILE 103 -4.476 8.868 2.482 782 HG13 ILE 103 HG13 ILE 103 -6.118 9.493 2.445 783 HG21 ILE 103 HG21 ILE 103 -7.779 6.266 1.765 784 HG22 ILE 103 HG22 ILE 103 -8.032 7.984 2.067 785 HG23 ILE 103 HG23 ILE 103 -7.575 6.912 3.392 786 HD11 ILE 103 HD11 ILE 103 -6.579 8.451 4.588 787 HD12 ILE 103 HD12 ILE 103 -5.180 9.518 4.687 788 HD13 ILE 103 HD13 ILE 103 -4.951 7.772 4.620 789 H LEU 104 H LEU 104 -6.475 4.116 3.163 790 HA LEU 104 HA LEU 104 -6.391 2.868 0.480 791 HB2 LEU 104 HB2 LEU 104 -6.801 1.573 3.183 792 HB3 LEU 104 HB3 LEU 104 -6.863 0.730 1.646 793 HG LEU 104 HG LEU 104 -4.428 2.064 2.848 794 HD11 LEU 104 HD11 LEU 104 -3.561 -0.211 3.038 795 HD12 LEU 104 HD12 LEU 104 -5.074 -0.852 2.396 796 HD13 LEU 104 HD13 LEU 104 -5.055 -0.025 3.955 797 HD21 LEU 104 HD21 LEU 104 -3.202 1.111 0.949 798 HD22 LEU 104 HD22 LEU 104 -4.420 2.269 0.412 799 HD23 LEU 104 HD23 LEU 104 -4.720 0.537 0.254 800 H LYS 105 H LYS 105 -8.231 3.276 -0.603 801 HA LYS 105 HA LYS 105 -10.787 3.084 0.873 802 HB2 LYS 105 HB2 LYS 105 -10.092 4.914 -1.434 803 HB3 LYS 105 HB3 LYS 105 -11.719 4.694 -0.799 804 HG2 LYS 105 HG2 LYS 105 -10.872 5.471 1.426 805 HG3 LYS 105 HG3 LYS 105 -9.339 5.855 0.642 806 HD2 LYS 105 HD2 LYS 105 -10.483 7.422 -0.848 807 HD3 LYS 105 HD3 LYS 105 -12.030 7.015 -0.103 808 HE2 LYS 105 HE2 LYS 105 -9.675 8.347 1.236 809 HE3 LYS 105 HE3 LYS 105 -11.205 9.106 0.803 810 HZ1 LYS 105 HZ1 LYS 105 -12.256 7.414 2.342 811 HZ2 LYS 105 HZ2 LYS 105 -11.346 8.638 3.076 812 HZ3 LYS 105 HZ3 LYS 105 -10.694 7.090 2.910 813 H ASN 106 H ASN 106 -12.657 2.457 -0.395 814 HA ASN 106 HA ASN 106 -11.988 0.192 -2.125 815 HB2 ASN 106 HB2 ASN 106 -14.633 0.920 -0.841 816 HB3 ASN 106 HB3 ASN 106 -14.245 -0.596 -1.645 817 HD21 ASN 106 HD21 ASN 106 -14.772 -1.739 0.231 818 HD22 ASN 106 HD22 ASN 106 -13.724 -1.769 1.599 819 H SER 107 H SER 107 -13.973 -0.311 -3.688 820 HA SER 107 HA SER 107 -13.858 1.508 -5.813 821 HB2 SER 107 HB2 SER 107 -15.955 -0.632 -5.353 822 HB3 SER 107 HB3 SER 107 -15.524 0.099 -6.900 823 HG SER 107 HG SER 107 -13.314 -0.745 -6.383 824 H GLN 108 H GLN 108 -15.919 1.526 -3.046 825 HA GLN 108 HA GLN 108 -17.815 3.369 -4.344 826 HB2 GLN 108 HB2 GLN 108 -17.995 1.873 -1.720 827 HB3 GLN 108 HB3 GLN 108 -19.199 3.022 -2.290 828 HG2 GLN 108 HG2 GLN 108 -19.553 1.589 -4.287 829 HG3 GLN 108 HG3 GLN 108 -18.432 0.417 -3.598 830 HE21 GLN 108 HE21 GLN 108 -20.031 -1.172 -3.511 831 HE22 GLN 108 HE22 GLN 108 -21.301 -1.132 -2.346 832 H GLY 109 H GLY 109 -14.977 3.935 -3.181 833 HA2 GLY 109 HA2 GLY 109 -14.048 5.921 -2.427 834 HA3 GLY 109 HA3 GLY 109 -15.665 6.553 -2.176 835 H GLU 110 H GLU 110 -16.168 4.019 -0.485 836 HA GLU 110 HA GLU 110 -15.761 5.087 2.061 837 HB2 GLU 110 HB2 GLU 110 -16.401 2.886 2.900 838 HB3 GLU 110 HB3 GLU 110 -17.415 3.335 1.535 839 HG2 GLU 110 HG2 GLU 110 -15.900 1.945 0.085 840 HG3 GLU 110 HG3 GLU 110 -15.137 1.367 1.565 841 H GLU 111 H GLU 111 -14.398 4.138 3.835 842 HA GLU 111 HA GLU 111 -11.708 3.499 2.776 843 HB2 GLU 111 HB2 GLU 111 -11.852 5.827 3.485 844 HB3 GLU 111 HB3 GLU 111 -12.430 5.328 5.068 845 HG2 GLU 111 HG2 GLU 111 -10.287 4.192 5.475 846 HG3 GLU 111 HG3 GLU 111 -9.707 4.757 3.907 847 H VAL 112 H VAL 112 -10.767 1.737 3.572 848 HA VAL 112 HA VAL 112 -11.927 0.423 5.919 849 HB VAL 112 HB VAL 112 -10.526 -1.530 5.271 850 HG11 VAL 112 HG11 VAL 112 -12.839 -1.343 4.509 851 HG12 VAL 112 HG12 VAL 112 -11.838 -2.134 3.290 852 HG13 VAL 112 HG13 VAL 112 -12.311 -0.448 3.084 853 HG21 VAL 112 HG21 VAL 112 -8.701 -0.366 4.152 854 HG22 VAL 112 HG22 VAL 112 -9.798 0.183 2.884 855 HG23 VAL 112 HG23 VAL 112 -9.438 -1.535 3.056 856 H ALA 113 H ALA 113 -8.899 1.926 4.884 857 HA ALA 113 HA ALA 113 -7.962 2.023 7.612 858 HB1 ALA 113 HB1 ALA 113 -6.388 0.378 5.630 859 HB2 ALA 113 HB2 ALA 113 -7.317 -0.263 6.987 860 HB3 ALA 113 HB3 ALA 113 -5.909 0.758 7.285 861 H GLN 114 H GLN 114 -6.285 3.460 7.962 862 HA GLN 114 HA GLN 114 -4.859 4.653 5.708 863 HB2 GLN 114 HB2 GLN 114 -5.322 6.954 6.476 864 HB3 GLN 114 HB3 GLN 114 -6.791 6.129 5.973 865 HG2 GLN 114 HG2 GLN 114 -7.397 5.740 8.295 866 HG3 GLN 114 HG3 GLN 114 -5.895 6.491 8.829 867 HE21 GLN 114 HE21 GLN 114 -8.658 7.213 9.408 868 HE22 GLN 114 HE22 GLN 114 -8.844 8.849 8.896 869 H ARG 115 H ARG 115 -2.774 5.403 6.280 870 HA ARG 115 HA ARG 115 -2.000 5.475 9.082 871 HB2 ARG 115 HB2 ARG 115 -1.983 3.032 8.418 872 HB3 ARG 115 HB3 ARG 115 -0.691 3.416 7.287 873 HG2 ARG 115 HG2 ARG 115 0.672 4.234 9.188 874 HG3 ARG 115 HG3 ARG 115 -0.612 3.728 10.285 875 HD2 ARG 115 HD2 ARG 115 -0.352 1.404 9.367 876 HD3 ARG 115 HD3 ARG 115 1.072 1.978 8.495 877 HE ARG 115 HE ARG 115 0.828 2.047 11.435 878 HH11 ARG 115 HH11 ARG 115 2.693 1.466 8.590 879 HH12 ARG 115 HH12 ARG 115 4.128 1.101 9.482 880 HH21 ARG 115 HH21 ARG 115 2.673 1.586 12.543 881 HH22 ARG 115 HH22 ARG 115 4.112 1.156 11.686 882 H SER 116 H SER 116 0.184 6.233 9.431 883 HA SER 116 HA SER 116 1.471 7.459 7.065 884 HB2 SER 116 HB2 SER 116 2.108 9.382 8.479 885 HB3 SER 116 HB3 SER 116 0.355 9.201 8.399 886 HG SER 116 HG SER 116 2.082 8.907 10.541 887 H THR 117 H THR 117 3.807 8.093 7.538 888 HA THR 117 HA THR 117 5.269 5.841 8.526 889 HB THR 117 HB THR 117 7.297 7.276 8.133 890 HG1 THR 117 HG1 THR 117 7.062 9.328 7.420 891 HG21 THR 117 HG21 THR 117 5.314 7.108 5.861 892 HG22 THR 117 HG22 THR 117 6.451 5.851 6.353 893 HG23 THR 117 HG23 THR 117 7.050 7.370 5.684 894 H VAL 118 H VAL 118 6.919 5.904 10.195 895 HA VAL 118 HA VAL 118 6.005 7.145 12.620 896 HB VAL 118 HB VAL 118 8.574 5.607 12.138 897 HG11 VAL 118 HG11 VAL 118 8.516 5.203 14.565 898 HG12 VAL 118 HG12 VAL 118 7.094 6.241 14.698 899 HG13 VAL 118 HG13 VAL 118 8.640 6.920 14.186 900 HG21 VAL 118 HG21 VAL 118 7.349 3.659 13.035 901 HG22 VAL 118 HG22 VAL 118 6.649 4.245 11.525 902 HG23 VAL 118 HG23 VAL 118 5.865 4.614 13.064 903 H PHE 119 H PHE 119 6.173 9.371 12.226 904 HA PHE 119 HA PHE 119 8.591 10.682 11.496 905 HB2 PHE 119 HB2 PHE 119 7.451 12.751 12.148 906 HB3 PHE 119 HB3 PHE 119 6.377 11.727 11.205 907 HD1 PHE 119 HD1 PHE 119 4.585 10.411 12.390 908 HD2 PHE 119 HD2 PHE 119 6.885 13.425 14.347 909 HE1 PHE 119 HE1 PHE 119 2.894 10.546 14.174 910 HE2 PHE 119 HE2 PHE 119 5.196 13.562 16.125 911 HZ PHE 119 HZ PHE 119 3.201 12.121 16.044 912 H LYS 120 H LYS 120 7.366 9.492 14.513 913 HA LYS 120 HA LYS 120 9.430 10.933 16.035 914 HB2 LYS 120 HB2 LYS 120 7.124 11.066 16.893 915 HB3 LYS 120 HB3 LYS 120 7.062 9.314 17.006 916 HG2 LYS 120 HG2 LYS 120 7.451 10.000 19.194 917 HG3 LYS 120 HG3 LYS 120 9.050 9.536 18.622 918 HD2 LYS 120 HD2 LYS 120 8.065 12.389 18.561 919 HD3 LYS 120 HD3 LYS 120 8.878 11.701 19.964 920 HE2 LYS 120 HE2 LYS 120 10.053 11.870 17.185 921 HE3 LYS 120 HE3 LYS 120 10.393 12.990 18.498 922 HZ1 LYS 120 HZ1 LYS 120 11.354 11.190 19.768 923 HZ2 LYS 120 HZ2 LYS 120 12.114 11.301 18.261 924 HZ3 LYS 120 HZ3 LYS 120 10.985 10.078 18.552 925 H THR 121 H THR 121 11.280 9.779 15.630 926 HA THR 121 HA THR 121 11.388 6.898 15.875 927 HB THR 121 HB THR 121 13.813 7.141 15.522 928 HG1 THR 121 HG1 THR 121 14.747 9.167 15.361 929 HG21 THR 121 HG21 THR 121 13.744 8.145 13.276 930 HG22 THR 121 HG22 THR 121 12.172 8.854 13.643 931 HG23 THR 121 HG23 THR 121 12.348 7.103 13.555 932 H THR 122 H THR 122 12.693 5.745 17.411 933 HA THR 122 HA THR 122 13.816 6.918 19.724 934 HB THR 122 HB THR 122 11.675 7.463 20.533 935 HG1 THR 122 HG1 THR 122 12.373 4.947 21.689 936 HG21 THR 122 HG21 THR 122 10.316 6.153 18.975 937 HG22 THR 122 HG22 THR 122 9.780 5.908 20.638 938 HG23 THR 122 HG23 THR 122 10.743 4.672 19.831 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -39.981 -26.561 -8.673 2 H2 MET 1 H2 MET 1 -40.657 -27.916 -7.922 3 H3 MET 1 H3 MET 1 -39.637 -28.112 -9.253 4 HA MET 1 HA MET 1 -38.828 -26.994 -6.636 5 HB2 MET 1 HB2 MET 1 -39.366 -29.405 -6.537 6 HB3 MET 1 HB3 MET 1 -38.245 -29.704 -7.858 7 HG2 MET 1 HG2 MET 1 -36.380 -28.997 -6.478 8 HG3 MET 1 HG3 MET 1 -37.481 -28.591 -5.161 9 HE1 MET 1 HE1 MET 1 -38.907 -30.372 -3.824 10 HE2 MET 1 HE2 MET 1 -38.854 -32.110 -4.129 11 HE3 MET 1 HE3 MET 1 -39.574 -31.027 -5.320 12 H GLY 2 H GLY 2 -37.029 -25.741 -6.780 13 HA2 GLY 2 HA2 GLY 2 -34.755 -26.383 -8.316 14 HA3 GLY 2 HA3 GLY 2 -35.729 -25.258 -9.243 15 H HIS 3 H HIS 3 -34.123 -25.650 -6.084 16 HA HIS 3 HA HIS 3 -33.061 -22.951 -6.394 17 HB2 HIS 3 HB2 HIS 3 -33.563 -22.409 -3.969 18 HB3 HIS 3 HB3 HIS 3 -34.940 -22.388 -5.059 19 HD1 HIS 3 HD1 HIS 3 -33.377 -24.653 -2.433 20 HD2 HIS 3 HD2 HIS 3 -37.026 -23.951 -4.288 21 HE1 HIS 3 HE1 HIS 3 -35.038 -26.067 -1.203 22 HE2 HIS 3 HE2 HIS 3 -37.249 -25.567 -2.286 23 H HIS 4 H HIS 4 -30.956 -23.490 -6.516 24 HA HIS 4 HA HIS 4 -29.900 -25.549 -4.704 25 HB2 HIS 4 HB2 HIS 4 -28.765 -24.317 -7.221 26 HB3 HIS 4 HB3 HIS 4 -27.901 -25.490 -6.232 27 HD1 HIS 4 HD1 HIS 4 -28.754 -27.944 -6.275 28 HD2 HIS 4 HD2 HIS 4 -30.811 -25.382 -8.821 29 HE1 HIS 4 HE1 HIS 4 -30.090 -29.432 -7.792 30 HE2 HIS 4 HE2 HIS 4 -31.241 -27.867 -9.391 31 H HIS 5 H HIS 5 -30.324 -22.442 -4.230 32 HA HIS 5 HA HIS 5 -29.435 -20.954 -2.751 33 HB2 HIS 5 HB2 HIS 5 -29.272 -22.976 -1.335 34 HB3 HIS 5 HB3 HIS 5 -27.667 -23.292 -1.976 35 HD1 HIS 5 HD1 HIS 5 -29.448 -20.542 -0.038 36 HD2 HIS 5 HD2 HIS 5 -25.677 -22.245 -0.448 37 HE1 HIS 5 HE1 HIS 5 -28.015 -19.437 1.703 38 HE2 HIS 5 HE2 HIS 5 -25.778 -20.569 1.518 39 H HIS 6 H HIS 6 -28.144 -21.382 -5.476 40 HA HIS 6 HA HIS 6 -25.368 -20.650 -5.029 41 HB2 HIS 6 HB2 HIS 6 -25.205 -20.656 -7.511 42 HB3 HIS 6 HB3 HIS 6 -25.812 -22.167 -6.851 43 HD1 HIS 6 HD1 HIS 6 -27.663 -23.083 -8.186 44 HD2 HIS 6 HD2 HIS 6 -27.589 -18.937 -8.352 45 HE1 HIS 6 HE1 HIS 6 -29.553 -22.437 -9.701 46 HE2 HIS 6 HE2 HIS 6 -29.330 -19.949 -9.964 47 H HIS 7 H HIS 7 -24.684 -18.879 -6.894 48 HA HIS 7 HA HIS 7 -24.624 -16.714 -7.561 49 HB2 HIS 7 HB2 HIS 7 -27.060 -17.041 -8.102 50 HB3 HIS 7 HB3 HIS 7 -27.446 -16.393 -6.512 51 HD1 HIS 7 HD1 HIS 7 -25.553 -15.295 -9.632 52 HD2 HIS 7 HD2 HIS 7 -27.817 -13.700 -6.529 53 HE1 HIS 7 HE1 HIS 7 -25.754 -12.847 -10.138 54 HE2 HIS 7 HE2 HIS 7 -27.216 -11.922 -8.314 55 H HIS 8 H HIS 8 -23.974 -17.667 -4.826 56 HA HIS 8 HA HIS 8 -24.337 -15.591 -2.951 57 HB2 HIS 8 HB2 HIS 8 -23.616 -17.545 -1.957 58 HB3 HIS 8 HB3 HIS 8 -22.486 -17.920 -3.249 59 HD1 HIS 8 HD1 HIS 8 -22.776 -15.473 -0.331 60 HD2 HIS 8 HD2 HIS 8 -19.906 -17.466 -2.590 61 HE1 HIS 8 HE1 HIS 8 -20.570 -14.900 0.721 62 HE2 HIS 8 HE2 HIS 8 -18.844 -15.963 -0.777 63 H SER 9 H SER 9 -22.944 -13.903 -2.288 64 HA SER 9 HA SER 9 -21.783 -12.389 -4.365 65 HB2 SER 9 HB2 SER 9 -22.737 -11.356 -2.349 66 HB3 SER 9 HB3 SER 9 -21.443 -12.055 -1.373 67 HG SER 9 HG SER 9 -21.431 -9.750 -2.679 68 H HIS 10 H HIS 10 -19.475 -11.319 -3.863 69 HA HIS 10 HA HIS 10 -17.584 -13.594 -3.865 70 HB2 HIS 10 HB2 HIS 10 -17.316 -10.939 -5.300 71 HB3 HIS 10 HB3 HIS 10 -16.210 -12.307 -5.418 72 HD1 HIS 10 HD1 HIS 10 -19.503 -11.071 -6.630 73 HD2 HIS 10 HD2 HIS 10 -17.139 -14.461 -7.000 74 HE1 HIS 10 HE1 HIS 10 -20.516 -12.386 -8.502 75 HE2 HIS 10 HE2 HIS 10 -18.973 -14.344 -8.822 76 H MET 11 H MET 11 -15.662 -13.455 -2.754 77 HA MET 11 HA MET 11 -15.575 -11.543 -0.572 78 HB2 MET 11 HB2 MET 11 -13.823 -13.906 -1.273 79 HB3 MET 11 HB3 MET 11 -13.623 -12.921 0.169 80 HG2 MET 11 HG2 MET 11 -16.079 -14.527 -0.517 81 HG3 MET 11 HG3 MET 11 -14.821 -15.004 0.625 82 HE1 MET 11 HE1 MET 11 -17.826 -14.172 2.986 83 HE2 MET 11 HE2 MET 11 -16.614 -15.373 2.540 84 HE3 MET 11 HE3 MET 11 -17.890 -14.943 1.401 85 H THR 12 H THR 12 -14.749 -9.573 -1.006 86 HA THR 12 HA THR 12 -12.702 -9.118 -2.973 87 HB THR 12 HB THR 12 -14.345 -7.377 -2.607 88 HG1 THR 12 HG1 THR 12 -11.681 -6.981 -2.510 89 HG21 THR 12 HG21 THR 12 -14.816 -7.748 -0.228 90 HG22 THR 12 HG22 THR 12 -14.403 -6.059 -0.526 91 HG23 THR 12 HG23 THR 12 -13.214 -7.144 0.193 92 H GLY 13 H GLY 13 -12.698 -9.467 0.536 93 HA2 GLY 13 HA2 GLY 13 -10.725 -10.325 1.617 94 HA3 GLY 13 HA3 GLY 13 -9.746 -9.474 0.436 95 H ASN 14 H ASN 14 -8.643 -8.879 2.535 96 HA ASN 14 HA ASN 14 -9.470 -6.203 3.299 97 HB2 ASN 14 HB2 ASN 14 -10.686 -7.637 4.923 98 HB3 ASN 14 HB3 ASN 14 -9.154 -8.351 5.420 99 HD21 ASN 14 HD21 ASN 14 -9.176 -7.652 7.504 100 HD22 ASN 14 HD22 ASN 14 -9.093 -5.993 7.962 101 H VAL 15 H VAL 15 -7.610 -5.148 2.866 102 HA VAL 15 HA VAL 15 -5.085 -6.233 3.949 103 HB VAL 15 HB VAL 15 -5.414 -4.854 1.266 104 HG11 VAL 15 HG11 VAL 15 -2.943 -6.023 2.558 105 HG12 VAL 15 HG12 VAL 15 -3.276 -4.307 2.319 106 HG13 VAL 15 HG13 VAL 15 -3.040 -5.363 0.925 107 HG21 VAL 15 HG21 VAL 15 -6.269 -7.135 1.204 108 HG22 VAL 15 HG22 VAL 15 -4.768 -7.739 1.912 109 HG23 VAL 15 HG23 VAL 15 -4.759 -7.021 0.300 110 H CYS 16 H CYS 16 -3.836 -4.812 5.070 111 HA CYS 16 HA CYS 16 -4.494 -1.934 4.947 112 HB2 CYS 16 HB2 CYS 16 -4.366 -1.786 7.398 113 HB3 CYS 16 HB3 CYS 16 -5.645 -2.888 6.899 114 HG CYS 16 HG CYS 16 -4.118 -5.201 7.418 115 H ILE 17 H ILE 17 -2.789 -0.520 5.826 116 HA ILE 17 HA ILE 17 -0.167 -1.458 5.029 117 HB ILE 17 HB ILE 17 -1.036 1.255 6.061 118 HG12 ILE 17 HG12 ILE 17 -0.438 0.302 3.242 119 HG13 ILE 17 HG13 ILE 17 -2.040 0.626 3.897 120 HG21 ILE 17 HG21 ILE 17 1.126 2.069 5.206 121 HG22 ILE 17 HG22 ILE 17 1.589 0.412 4.817 122 HG23 ILE 17 HG23 ILE 17 1.335 0.883 6.496 123 HD11 ILE 17 HD11 ILE 17 0.152 2.653 3.518 124 HD12 ILE 17 HD12 ILE 17 -1.453 2.978 4.174 125 HD13 ILE 17 HD13 ILE 17 -1.272 2.451 2.501 126 H GLU 18 H GLU 18 1.165 -2.458 6.389 127 HA GLU 18 HA GLU 18 0.878 -2.268 9.259 128 HB2 GLU 18 HB2 GLU 18 1.470 -4.415 8.305 129 HB3 GLU 18 HB3 GLU 18 2.885 -3.723 7.520 130 HG2 GLU 18 HG2 GLU 18 3.877 -3.261 9.714 131 HG3 GLU 18 HG3 GLU 18 2.461 -3.960 10.498 132 H GLU 19 H GLU 19 3.400 -1.381 6.893 133 HA GLU 19 HA GLU 19 4.277 0.836 8.495 134 HB2 GLU 19 HB2 GLU 19 5.345 -1.069 9.675 135 HB3 GLU 19 HB3 GLU 19 6.161 -1.519 8.185 136 HG2 GLU 19 HG2 GLU 19 7.402 0.575 8.203 137 HG3 GLU 19 HG3 GLU 19 6.539 1.091 9.652 138 H ILE 20 H ILE 20 5.781 2.190 7.421 139 HA ILE 20 HA ILE 20 6.168 1.591 4.553 140 HB ILE 20 HB ILE 20 5.882 4.312 5.860 141 HG12 ILE 20 HG12 ILE 20 3.945 2.783 4.095 142 HG13 ILE 20 HG13 ILE 20 3.760 3.047 5.824 143 HG21 ILE 20 HG21 ILE 20 7.332 4.391 3.899 144 HG22 ILE 20 HG22 ILE 20 5.795 5.184 3.561 145 HG23 ILE 20 HG23 ILE 20 6.107 3.563 2.938 146 HD11 ILE 20 HD11 ILE 20 2.348 4.552 4.566 147 HD12 ILE 20 HD12 ILE 20 3.749 5.172 3.690 148 HD13 ILE 20 HD13 ILE 20 3.592 5.461 5.423 149 H ASP 21 H ASP 21 8.160 2.222 3.593 150 HA ASP 21 HA ASP 21 10.439 1.699 5.126 151 HB2 ASP 21 HB2 ASP 21 10.351 1.318 2.719 152 HB3 ASP 21 HB3 ASP 21 10.209 3.047 2.427 153 H VAL 22 H VAL 22 12.107 2.979 5.916 154 HA VAL 22 HA VAL 22 11.357 5.527 6.960 155 HB VAL 22 HB VAL 22 12.791 4.015 8.229 156 HG11 VAL 22 HG11 VAL 22 14.898 4.530 6.121 157 HG12 VAL 22 HG12 VAL 22 14.028 3.014 6.365 158 HG13 VAL 22 HG13 VAL 22 15.120 3.614 7.613 159 HG21 VAL 22 HG21 VAL 22 14.473 5.623 8.985 160 HG22 VAL 22 HG22 VAL 22 12.926 6.419 8.696 161 HG23 VAL 22 HG23 VAL 22 14.232 6.579 7.522 162 H ASP 23 H ASP 23 13.318 4.501 4.238 163 HA ASP 23 HA ASP 23 14.406 7.134 3.742 164 HB2 ASP 23 HB2 ASP 23 15.597 4.963 3.232 165 HB3 ASP 23 HB3 ASP 23 14.441 4.702 1.930 166 H GLY 24 H GLY 24 12.026 4.993 2.180 167 HA2 GLY 24 HA2 GLY 24 9.893 6.191 1.579 168 HA3 GLY 24 HA3 GLY 24 10.923 7.332 0.731 169 H LYS 25 H LYS 25 11.668 3.919 0.642 170 HA LYS 25 HA LYS 25 11.340 4.006 -2.252 171 HB2 LYS 25 HB2 LYS 25 12.682 2.014 -0.425 172 HB3 LYS 25 HB3 LYS 25 12.565 1.806 -2.168 173 HG2 LYS 25 HG2 LYS 25 13.812 3.887 -2.503 174 HG3 LYS 25 HG3 LYS 25 13.927 4.099 -0.756 175 HD2 LYS 25 HD2 LYS 25 15.260 2.090 -0.553 176 HD3 LYS 25 HD3 LYS 25 15.032 1.724 -2.266 177 HE2 LYS 25 HE2 LYS 25 17.239 2.695 -1.854 178 HE3 LYS 25 HE3 LYS 25 16.261 3.747 -2.875 179 HZ1 LYS 25 HZ1 LYS 25 16.817 4.092 0.019 180 HZ2 LYS 25 HZ2 LYS 25 15.741 5.057 -0.861 181 HZ3 LYS 25 HZ3 LYS 25 17.384 5.055 -1.248 182 H PHE 26 H PHE 26 9.736 2.446 0.468 183 HA PHE 26 HA PHE 26 7.831 1.263 -1.382 184 HB2 PHE 26 HB2 PHE 26 8.053 -1.020 -0.561 185 HB3 PHE 26 HB3 PHE 26 9.563 -0.461 -1.263 186 HD1 PHE 26 HD1 PHE 26 7.836 -1.234 1.914 187 HD2 PHE 26 HD2 PHE 26 11.554 -0.325 0.039 188 HE1 PHE 26 HE1 PHE 26 9.023 -1.888 3.964 189 HE2 PHE 26 HE2 PHE 26 12.744 -0.983 2.087 190 HZ PHE 26 HZ PHE 26 11.483 -1.764 4.051 191 H ILE 27 H ILE 27 5.942 0.324 -0.402 192 HA ILE 27 HA ILE 27 5.414 1.153 2.397 193 HB ILE 27 HB ILE 27 3.471 1.222 0.064 194 HG12 ILE 27 HG12 ILE 27 4.680 3.508 1.652 195 HG13 ILE 27 HG13 ILE 27 5.142 3.054 0.015 196 HG21 ILE 27 HG21 ILE 27 3.060 2.001 2.958 197 HG22 ILE 27 HG22 ILE 27 2.347 0.611 2.138 198 HG23 ILE 27 HG23 ILE 27 1.896 2.244 1.654 199 HD11 ILE 27 HD11 ILE 27 2.880 3.591 -0.757 200 HD12 ILE 27 HD12 ILE 27 3.678 4.973 -0.004 201 HD13 ILE 27 HD13 ILE 27 2.447 4.076 0.884 202 H ARG 28 H ARG 28 4.895 -0.598 3.681 203 HA ARG 28 HA ARG 28 4.341 -3.139 2.330 204 HB2 ARG 28 HB2 ARG 28 6.138 -3.083 4.009 205 HB3 ARG 28 HB3 ARG 28 4.977 -2.602 5.240 206 HG2 ARG 28 HG2 ARG 28 3.751 -4.755 4.790 207 HG3 ARG 28 HG3 ARG 28 5.110 -5.234 3.774 208 HD2 ARG 28 HD2 ARG 28 5.196 -4.597 6.725 209 HD3 ARG 28 HD3 ARG 28 5.355 -6.190 5.986 210 HE ARG 28 HE ARG 28 7.393 -4.975 4.851 211 HH11 ARG 28 HH11 ARG 28 6.348 -4.856 8.134 212 HH12 ARG 28 HH12 ARG 28 7.933 -4.510 8.737 213 HH21 ARG 28 HH21 ARG 28 9.423 -4.540 5.644 214 HH22 ARG 28 HH22 ARG 28 9.652 -4.329 7.341 215 H LEU 29 H LEU 29 2.273 -3.655 1.981 216 HA LEU 29 HA LEU 29 0.257 -3.110 4.054 217 HB2 LEU 29 HB2 LEU 29 -0.031 -4.040 1.189 218 HB3 LEU 29 HB3 LEU 29 -1.370 -3.907 2.313 219 HG LEU 29 HG LEU 29 -0.844 -1.442 2.512 220 HD11 LEU 29 HD11 LEU 29 1.455 -1.459 1.717 221 HD12 LEU 29 HD12 LEU 29 0.459 -0.408 0.711 222 HD13 LEU 29 HD13 LEU 29 0.922 -2.008 0.127 223 HD21 LEU 29 HD21 LEU 29 -2.693 -2.279 1.155 224 HD22 LEU 29 HD22 LEU 29 -1.606 -2.474 -0.222 225 HD23 LEU 29 HD23 LEU 29 -1.948 -0.863 0.413 226 H LYS 30 H LYS 30 -1.340 -4.958 4.450 227 HA LYS 30 HA LYS 30 -0.232 -7.631 4.127 228 HB2 LYS 30 HB2 LYS 30 0.889 -6.754 6.149 229 HB3 LYS 30 HB3 LYS 30 -0.680 -6.460 6.884 230 HG2 LYS 30 HG2 LYS 30 -1.160 -8.850 6.882 231 HG3 LYS 30 HG3 LYS 30 0.371 -9.170 6.064 232 HD2 LYS 30 HD2 LYS 30 1.571 -8.212 8.004 233 HD3 LYS 30 HD3 LYS 30 0.024 -7.987 8.824 234 HE2 LYS 30 HE2 LYS 30 -0.367 -10.392 8.797 235 HE3 LYS 30 HE3 LYS 30 1.128 -10.647 7.895 236 HZ1 LYS 30 HZ1 LYS 30 0.910 -9.556 10.652 237 HZ2 LYS 30 HZ2 LYS 30 2.354 -9.752 9.789 238 HZ3 LYS 30 HZ3 LYS 30 1.444 -11.104 10.230 239 H ASN 31 H ASN 31 -1.736 -9.212 4.140 240 HA ASN 31 HA ASN 31 -4.550 -8.483 4.354 241 HB2 ASN 31 HB2 ASN 31 -3.872 -9.819 2.446 242 HB3 ASN 31 HB3 ASN 31 -3.138 -11.025 3.495 243 HD21 ASN 31 HD21 ASN 31 -4.391 -12.668 2.624 244 HD22 ASN 31 HD22 ASN 31 -6.076 -12.819 2.970 245 H THR 32 H THR 32 -6.028 -9.427 5.819 246 HA THR 32 HA THR 32 -4.797 -10.827 8.127 247 HB THR 32 HB THR 32 -6.433 -9.769 9.600 248 HG1 THR 32 HG1 THR 32 -8.130 -8.783 8.827 249 HG21 THR 32 HG21 THR 32 -5.634 -7.441 9.481 250 HG22 THR 32 HG22 THR 32 -4.996 -7.745 7.865 251 HG23 THR 32 HG23 THR 32 -4.317 -8.594 9.255 252 H SER 33 H SER 33 -6.605 -11.577 5.582 253 HA SER 33 HA SER 33 -8.879 -12.829 6.865 254 HB2 SER 33 HB2 SER 33 -9.509 -13.591 4.649 255 HB3 SER 33 HB3 SER 33 -9.008 -11.903 4.548 256 HG SER 33 HG SER 33 -8.080 -13.894 3.137 257 H GLU 34 H GLU 34 -9.350 -15.094 6.820 258 HA GLU 34 HA GLU 34 -7.061 -16.777 7.393 259 HB2 GLU 34 HB2 GLU 34 -10.032 -17.372 7.384 260 HB3 GLU 34 HB3 GLU 34 -8.786 -18.474 7.956 261 HG2 GLU 34 HG2 GLU 34 -8.198 -16.930 9.737 262 HG3 GLU 34 HG3 GLU 34 -9.382 -15.763 9.138 263 H GLN 35 H GLN 35 -8.112 -15.872 4.520 264 HA GLN 35 HA GLN 35 -7.678 -18.454 3.225 265 HB2 GLN 35 HB2 GLN 35 -10.106 -18.353 3.617 266 HB3 GLN 35 HB3 GLN 35 -10.183 -16.808 2.785 267 HG2 GLN 35 HG2 GLN 35 -9.447 -17.919 0.704 268 HG3 GLN 35 HG3 GLN 35 -9.460 -19.467 1.554 269 HE21 GLN 35 HE21 GLN 35 -11.409 -16.889 0.277 270 HE22 GLN 35 HE22 GLN 35 -12.919 -17.728 0.344 271 H ASP 36 H ASP 36 -7.216 -18.290 0.942 272 HA ASP 36 HA ASP 36 -5.740 -15.980 0.184 273 HB2 ASP 36 HB2 ASP 36 -6.716 -18.179 -1.661 274 HB3 ASP 36 HB3 ASP 36 -5.309 -17.140 -1.880 275 H GLN 37 H GLN 37 -6.737 -14.079 -0.254 276 HA GLN 37 HA GLN 37 -9.352 -14.111 -1.629 277 HB2 GLN 37 HB2 GLN 37 -8.123 -11.837 -0.045 278 HB3 GLN 37 HB3 GLN 37 -9.774 -11.943 -0.638 279 HG2 GLN 37 HG2 GLN 37 -8.550 -13.717 1.469 280 HG3 GLN 37 HG3 GLN 37 -9.617 -12.348 1.768 281 HE21 GLN 37 HE21 GLN 37 -11.806 -12.556 1.329 282 HE22 GLN 37 HE22 GLN 37 -12.551 -14.087 1.061 283 HA PRO 38 HA PRO 38 -7.639 -12.219 -5.321 284 HB2 PRO 38 HB2 PRO 38 -10.141 -10.585 -5.275 285 HB3 PRO 38 HB3 PRO 38 -9.460 -11.566 -6.579 286 HG2 PRO 38 HG2 PRO 38 -11.566 -12.434 -5.204 287 HG3 PRO 38 HG3 PRO 38 -10.279 -13.555 -5.691 288 HD2 PRO 38 HD2 PRO 38 -10.821 -12.338 -3.004 289 HD3 PRO 38 HD3 PRO 38 -10.277 -13.981 -3.409 290 H MET 39 H MET 39 -6.768 -10.210 -6.046 291 HA MET 39 HA MET 39 -5.770 -8.517 -4.050 292 HB2 MET 39 HB2 MET 39 -4.712 -8.898 -6.266 293 HB3 MET 39 HB3 MET 39 -5.976 -7.937 -7.014 294 HG2 MET 39 HG2 MET 39 -4.121 -6.515 -6.841 295 HG3 MET 39 HG3 MET 39 -5.211 -6.018 -5.551 296 HE1 MET 39 HE1 MET 39 -4.851 -7.558 -3.039 297 HE2 MET 39 HE2 MET 39 -4.507 -5.828 -3.079 298 HE3 MET 39 HE3 MET 39 -3.367 -6.938 -2.316 299 H GLY 40 H GLY 40 -8.668 -8.235 -6.006 300 HA2 GLY 40 HA2 GLY 40 -10.583 -7.027 -5.428 301 HA3 GLY 40 HA3 GLY 40 -9.649 -6.154 -4.227 302 H GLY 41 H GLY 41 -11.301 -4.609 -5.512 303 HA2 GLY 41 HA2 GLY 41 -9.734 -3.272 -7.647 304 HA3 GLY 41 HA3 GLY 41 -11.488 -3.261 -7.568 305 H TRP 42 H TRP 42 -8.902 -2.579 -5.213 306 HA TRP 42 HA TRP 42 -10.369 -0.176 -4.361 307 HB2 TRP 42 HB2 TRP 42 -7.918 -1.240 -2.977 308 HB3 TRP 42 HB3 TRP 42 -9.275 -0.349 -2.296 309 HD1 TRP 42 HD1 TRP 42 -11.719 -2.142 -3.019 310 HE1 TRP 42 HE1 TRP 42 -11.958 -4.524 -2.055 311 HE3 TRP 42 HE3 TRP 42 -6.820 -3.039 -1.819 312 HZ2 TRP 42 HZ2 TRP 42 -10.299 -6.495 -0.928 313 HZ3 TRP 42 HZ3 TRP 42 -6.237 -5.201 -0.798 314 HH2 TRP 42 HH2 TRP 42 -7.940 -6.893 -0.361 315 H GLU 43 H GLU 43 -8.849 1.706 -3.632 316 HA GLU 43 HA GLU 43 -6.478 1.919 -5.360 317 HB2 GLU 43 HB2 GLU 43 -8.305 3.044 -6.560 318 HB3 GLU 43 HB3 GLU 43 -8.606 4.069 -5.161 319 HG2 GLU 43 HG2 GLU 43 -6.424 5.097 -5.395 320 HG3 GLU 43 HG3 GLU 43 -6.018 4.001 -6.714 321 H MET 44 H MET 44 -4.771 2.952 -4.493 322 HA MET 44 HA MET 44 -5.036 3.871 -1.705 323 HB2 MET 44 HB2 MET 44 -3.543 1.955 -2.096 324 HB3 MET 44 HB3 MET 44 -2.598 2.913 -3.226 325 HG2 MET 44 HG2 MET 44 -1.920 4.403 -1.452 326 HG3 MET 44 HG3 MET 44 -2.943 3.544 -0.303 327 HE1 MET 44 HE1 MET 44 0.787 1.699 -2.304 328 HE2 MET 44 HE2 MET 44 0.215 3.337 -2.619 329 HE3 MET 44 HE3 MET 44 -0.731 1.952 -3.166 330 H ILE 45 H ILE 45 -4.850 5.999 -1.297 331 HA ILE 45 HA ILE 45 -3.623 7.740 -3.341 332 HB ILE 45 HB ILE 45 -5.537 8.463 -1.103 333 HG12 ILE 45 HG12 ILE 45 -7.025 9.107 -3.086 334 HG13 ILE 45 HG13 ILE 45 -5.900 8.213 -4.102 335 HG21 ILE 45 HG21 ILE 45 -5.584 10.713 -2.118 336 HG22 ILE 45 HG22 ILE 45 -4.303 10.222 -3.227 337 HG23 ILE 45 HG23 ILE 45 -3.989 10.290 -1.493 338 HD11 ILE 45 HD11 ILE 45 -7.892 6.915 -3.517 339 HD12 ILE 45 HD12 ILE 45 -7.475 7.055 -1.809 340 HD13 ILE 45 HD13 ILE 45 -6.416 6.168 -2.905 341 H ARG 46 H ARG 46 -1.694 8.643 -2.932 342 HA ARG 46 HA ARG 46 -0.528 8.472 -0.263 343 HB2 ARG 46 HB2 ARG 46 0.823 7.763 -2.177 344 HB3 ARG 46 HB3 ARG 46 0.650 9.353 -2.910 345 HG2 ARG 46 HG2 ARG 46 1.837 10.301 -0.904 346 HG3 ARG 46 HG3 ARG 46 2.167 8.639 -0.404 347 HD2 ARG 46 HD2 ARG 46 3.318 8.253 -2.562 348 HD3 ARG 46 HD3 ARG 46 3.036 9.941 -2.992 349 HE ARG 46 HE ARG 46 4.717 9.076 -0.727 350 HH11 ARG 46 HH11 ARG 46 4.000 11.295 -3.270 351 HH12 ARG 46 HH12 ARG 46 5.479 12.166 -3.066 352 HH21 ARG 46 HH21 ARG 46 6.602 10.242 -0.467 353 HH22 ARG 46 HH22 ARG 46 6.913 11.600 -1.489 354 H LYS 47 H LYS 47 -0.639 10.147 1.135 355 HA LYS 47 HA LYS 47 -0.636 12.892 0.030 356 HB2 LYS 47 HB2 LYS 47 -1.777 11.895 2.654 357 HB3 LYS 47 HB3 LYS 47 -1.639 13.591 2.217 358 HG2 LYS 47 HG2 LYS 47 -3.118 13.149 0.261 359 HG3 LYS 47 HG3 LYS 47 -3.341 11.504 0.865 360 HD2 LYS 47 HD2 LYS 47 -4.281 12.368 2.944 361 HD3 LYS 47 HD3 LYS 47 -4.003 14.023 2.397 362 HE2 LYS 47 HE2 LYS 47 -5.545 13.612 0.499 363 HE3 LYS 47 HE3 LYS 47 -5.872 12.003 1.150 364 HZ1 LYS 47 HZ1 LYS 47 -7.565 13.608 1.794 365 HZ2 LYS 47 HZ2 LYS 47 -6.399 14.567 2.554 366 HZ3 LYS 47 HZ3 LYS 47 -6.748 13.023 3.149 367 H ILE 48 H ILE 48 1.478 13.507 0.055 368 HA ILE 48 HA ILE 48 3.091 13.006 2.453 369 HB ILE 48 HB ILE 48 4.168 12.587 0.297 370 HG12 ILE 48 HG12 ILE 48 5.338 15.012 1.701 371 HG13 ILE 48 HG13 ILE 48 5.566 13.335 2.189 372 HG21 ILE 48 HG21 ILE 48 4.673 14.412 -1.260 373 HG22 ILE 48 HG22 ILE 48 3.746 15.526 -0.256 374 HG23 ILE 48 HG23 ILE 48 2.935 14.187 -1.067 375 HD11 ILE 48 HD11 ILE 48 6.760 12.885 0.116 376 HD12 ILE 48 HD12 ILE 48 7.507 14.207 1.010 377 HD13 ILE 48 HD13 ILE 48 6.506 14.552 -0.401 378 H GLY 49 H GLY 49 1.300 15.518 0.907 379 HA2 GLY 49 HA2 GLY 49 1.209 17.197 3.119 380 HA3 GLY 49 HA3 GLY 49 2.532 17.776 2.116 381 H ASP 50 H ASP 50 2.091 18.828 0.200 382 HA ASP 50 HA ASP 50 -0.672 19.682 -0.188 383 HB2 ASP 50 HB2 ASP 50 0.295 21.323 -1.769 384 HB3 ASP 50 HB3 ASP 50 1.034 21.414 -0.175 385 H THR 51 H THR 51 1.874 17.965 -1.978 386 HA THR 51 HA THR 51 0.061 17.497 -4.233 387 HB THR 51 HB THR 51 2.311 18.082 -4.876 388 HG1 THR 51 HG1 THR 51 1.510 16.638 -6.324 389 HG21 THR 51 HG21 THR 51 4.245 16.676 -4.319 390 HG22 THR 51 HG22 THR 51 3.221 15.670 -3.293 391 HG23 THR 51 HG23 THR 51 3.510 17.358 -2.869 392 H SER 52 H SER 52 -0.529 15.438 -4.983 393 HA SER 52 HA SER 52 -0.048 13.144 -3.212 394 HB2 SER 52 HB2 SER 52 -2.404 12.580 -3.051 395 HB3 SER 52 HB3 SER 52 -2.177 14.230 -2.473 396 HG SER 52 HG SER 52 -2.786 14.866 -4.696 397 H VAL 53 H VAL 53 -0.960 11.091 -4.178 398 HA VAL 53 HA VAL 53 -1.527 11.006 -6.994 399 HB VAL 53 HB VAL 53 0.904 11.266 -7.133 400 HG11 VAL 53 HG11 VAL 53 1.075 8.775 -5.435 401 HG12 VAL 53 HG12 VAL 53 1.509 10.408 -4.934 402 HG13 VAL 53 HG13 VAL 53 2.434 9.602 -6.200 403 HG21 VAL 53 HG21 VAL 53 -0.162 9.881 -8.820 404 HG22 VAL 53 HG22 VAL 53 0.000 8.456 -7.793 405 HG23 VAL 53 HG23 VAL 53 1.440 9.243 -8.443 406 H SER 54 H SER 54 -2.443 9.012 -7.609 407 HA SER 54 HA SER 54 -2.900 7.159 -5.348 408 HB2 SER 54 HB2 SER 54 -5.137 6.727 -6.280 409 HB3 SER 54 HB3 SER 54 -4.912 8.437 -5.916 410 HG SER 54 HG SER 54 -5.898 7.926 -8.007 411 H TYR 55 H TYR 55 -3.400 4.946 -5.858 412 HA TYR 55 HA TYR 55 -2.578 3.947 -8.490 413 HB2 TYR 55 HB2 TYR 55 -0.533 3.953 -7.108 414 HB3 TYR 55 HB3 TYR 55 -1.355 3.001 -5.880 415 HD1 TYR 55 HD1 TYR 55 -0.362 2.880 -9.482 416 HD2 TYR 55 HD2 TYR 55 -1.179 0.663 -5.937 417 HE1 TYR 55 HE1 TYR 55 0.429 0.832 -10.586 418 HE2 TYR 55 HE2 TYR 55 -0.397 -1.391 -7.040 419 HH TYR 55 HH TYR 55 1.370 -1.376 -9.906 420 H LYS 56 H LYS 56 -4.241 2.688 -9.130 421 HA LYS 56 HA LYS 56 -5.966 1.418 -7.161 422 HB2 LYS 56 HB2 LYS 56 -7.011 2.529 -9.079 423 HB3 LYS 56 HB3 LYS 56 -6.151 1.463 -10.187 424 HG2 LYS 56 HG2 LYS 56 -7.343 -0.466 -9.232 425 HG3 LYS 56 HG3 LYS 56 -8.221 0.619 -8.155 426 HD2 LYS 56 HD2 LYS 56 -9.257 1.714 -10.071 427 HD3 LYS 56 HD3 LYS 56 -8.324 0.704 -11.180 428 HE2 LYS 56 HE2 LYS 56 -9.421 -1.298 -10.236 429 HE3 LYS 56 HE3 LYS 56 -10.383 -0.259 -9.188 430 HZ1 LYS 56 HZ1 LYS 56 -11.568 -0.967 -11.195 431 HZ2 LYS 56 HZ2 LYS 56 -10.426 -0.173 -12.153 432 HZ3 LYS 56 HZ3 LYS 56 -11.418 0.714 -11.111 433 H TYR 57 H TYR 57 -6.211 -0.734 -6.819 434 HA TYR 57 HA TYR 57 -4.060 -2.473 -7.706 435 HB2 TYR 57 HB2 TYR 57 -6.311 -2.918 -5.727 436 HB3 TYR 57 HB3 TYR 57 -5.020 -4.072 -6.055 437 HD1 TYR 57 HD1 TYR 57 -5.782 -0.744 -4.629 438 HD2 TYR 57 HD2 TYR 57 -2.831 -3.779 -5.119 439 HE1 TYR 57 HE1 TYR 57 -4.360 0.375 -2.965 440 HE2 TYR 57 HE2 TYR 57 -1.402 -2.662 -3.461 441 HH TYR 57 HH TYR 57 -2.519 -0.148 -1.448 442 H THR 58 H THR 58 -4.315 -4.401 -8.832 443 HA THR 58 HA THR 58 -6.927 -4.788 -10.169 444 HB THR 58 HB THR 58 -5.416 -3.926 -11.824 445 HG1 THR 58 HG1 THR 58 -5.987 -5.397 -13.243 446 HG21 THR 58 HG21 THR 58 -3.505 -6.138 -11.039 447 HG22 THR 58 HG22 THR 58 -3.279 -4.412 -10.742 448 HG23 THR 58 HG23 THR 58 -3.292 -5.030 -12.394 449 H SER 59 H SER 59 -7.814 -6.769 -10.039 450 HA SER 59 HA SER 59 -6.543 -8.796 -8.458 451 HB2 SER 59 HB2 SER 59 -9.161 -8.797 -9.973 452 HB3 SER 59 HB3 SER 59 -8.607 -10.149 -8.983 453 HG SER 59 HG SER 59 -10.027 -8.553 -7.932 454 H ARG 60 H ARG 60 -4.646 -8.976 -9.908 455 HA ARG 60 HA ARG 60 -5.065 -10.761 -12.200 456 HB2 ARG 60 HB2 ARG 60 -2.522 -10.453 -12.435 457 HB3 ARG 60 HB3 ARG 60 -3.553 -9.073 -12.781 458 HG2 ARG 60 HG2 ARG 60 -3.003 -8.019 -10.736 459 HG3 ARG 60 HG3 ARG 60 -2.243 -9.478 -10.103 460 HD2 ARG 60 HD2 ARG 60 -1.198 -8.138 -12.584 461 HD3 ARG 60 HD3 ARG 60 -0.732 -7.575 -10.981 462 HE ARG 60 HE ARG 60 0.451 -9.550 -10.641 463 HH11 ARG 60 HH11 ARG 60 -1.137 -9.625 -13.711 464 HH12 ARG 60 HH12 ARG 60 -0.183 -10.945 -14.280 465 HH21 ARG 60 HH21 ARG 60 1.658 -11.231 -11.399 466 HH22 ARG 60 HH22 ARG 60 1.372 -11.857 -12.980 467 H TYR 61 H TYR 61 -4.664 -11.083 -8.955 468 HA TYR 61 HA TYR 61 -4.270 -13.885 -9.106 469 HB2 TYR 61 HB2 TYR 61 -2.173 -14.074 -7.829 470 HB3 TYR 61 HB3 TYR 61 -1.907 -13.274 -9.371 471 HD1 TYR 61 HD1 TYR 61 -2.124 -12.748 -5.714 472 HD2 TYR 61 HD2 TYR 61 -1.092 -11.016 -9.463 473 HE1 TYR 61 HE1 TYR 61 -1.007 -10.898 -4.545 474 HE2 TYR 61 HE2 TYR 61 0.025 -9.159 -8.303 475 HH TYR 61 HH TYR 61 0.627 -9.199 -4.906 476 H VAL 62 H VAL 62 -4.026 -14.813 -6.780 477 HA VAL 62 HA VAL 62 -5.800 -13.270 -5.025 478 HB VAL 62 HB VAL 62 -6.109 -15.398 -3.775 479 HG11 VAL 62 HG11 VAL 62 -6.690 -15.535 -6.740 480 HG12 VAL 62 HG12 VAL 62 -7.687 -14.752 -5.512 481 HG13 VAL 62 HG13 VAL 62 -7.480 -16.503 -5.493 482 HG21 VAL 62 HG21 VAL 62 -4.470 -16.626 -6.009 483 HG22 VAL 62 HG22 VAL 62 -5.323 -17.508 -4.741 484 HG23 VAL 62 HG23 VAL 62 -3.961 -16.468 -4.328 485 H LEU 63 H LEU 63 -5.064 -12.294 -3.276 486 HA LEU 63 HA LEU 63 -2.354 -12.545 -2.378 487 HB2 LEU 63 HB2 LEU 63 -4.044 -10.510 -2.296 488 HB3 LEU 63 HB3 LEU 63 -4.520 -11.217 -0.768 489 HG LEU 63 HG LEU 63 -2.894 -9.395 -0.482 490 HD11 LEU 63 HD11 LEU 63 -2.949 -11.209 1.165 491 HD12 LEU 63 HD12 LEU 63 -1.336 -10.522 0.991 492 HD13 LEU 63 HD13 LEU 63 -1.717 -12.074 0.247 493 HD21 LEU 63 HD21 LEU 63 -0.982 -11.163 -2.012 494 HD22 LEU 63 HD22 LEU 63 -0.590 -9.630 -1.232 495 HD23 LEU 63 HD23 LEU 63 -1.695 -9.663 -2.605 496 H LYS 64 H LYS 64 -1.612 -14.045 -0.995 497 HA LYS 64 HA LYS 64 -3.244 -16.177 -0.174 498 HB2 LYS 64 HB2 LYS 64 -0.460 -15.487 0.787 499 HB3 LYS 64 HB3 LYS 64 -1.245 -17.054 0.929 500 HG2 LYS 64 HG2 LYS 64 -1.338 -17.197 -1.539 501 HG3 LYS 64 HG3 LYS 64 -0.458 -15.670 -1.633 502 HD2 LYS 64 HD2 LYS 64 1.426 -16.707 -0.407 503 HD3 LYS 64 HD3 LYS 64 0.541 -18.233 -0.366 504 HE2 LYS 64 HE2 LYS 64 1.500 -16.777 -2.833 505 HE3 LYS 64 HE3 LYS 64 2.181 -18.259 -2.159 506 HZ1 LYS 64 HZ1 LYS 64 0.015 -19.336 -2.568 507 HZ2 LYS 64 HZ2 LYS 64 0.754 -18.796 -3.989 508 HZ3 LYS 64 HZ3 LYS 64 -0.532 -17.925 -3.322 509 H ALA 65 H ALA 65 -3.531 -17.035 1.987 510 HA ALA 65 HA ALA 65 -4.886 -15.303 3.705 511 HB1 ALA 65 HB1 ALA 65 -4.969 -17.175 5.266 512 HB2 ALA 65 HB2 ALA 65 -3.686 -17.995 4.375 513 HB3 ALA 65 HB3 ALA 65 -5.258 -17.731 3.618 514 H GLY 66 H GLY 66 -4.065 -13.700 4.903 515 HA2 GLY 66 HA2 GLY 66 -2.802 -12.589 6.468 516 HA3 GLY 66 HA3 GLY 66 -2.148 -14.143 6.946 517 H GLN 67 H GLN 67 -1.754 -13.152 3.645 518 HA GLN 67 HA GLN 67 1.131 -13.091 3.991 519 HB2 GLN 67 HB2 GLN 67 0.188 -14.352 2.127 520 HB3 GLN 67 HB3 GLN 67 -0.601 -12.910 1.514 521 HG2 GLN 67 HG2 GLN 67 1.222 -13.073 0.133 522 HG3 GLN 67 HG3 GLN 67 1.808 -11.953 1.356 523 HE21 GLN 67 HE21 GLN 67 2.136 -14.243 3.301 524 HE22 GLN 67 HE22 GLN 67 3.582 -15.023 2.785 525 H THR 68 H THR 68 2.496 -11.377 3.444 526 HA THR 68 HA THR 68 1.328 -8.694 3.524 527 HB THR 68 HB THR 68 3.652 -7.898 3.756 528 HG1 THR 68 HG1 THR 68 4.408 -9.933 2.520 529 HG21 THR 68 HG21 THR 68 2.464 -8.508 5.790 530 HG22 THR 68 HG22 THR 68 4.165 -8.944 5.935 531 HG23 THR 68 HG23 THR 68 2.961 -10.189 5.609 532 H VAL 69 H VAL 69 1.554 -7.158 1.910 533 HA VAL 69 HA VAL 69 2.994 -7.904 -0.546 534 HB VAL 69 HB VAL 69 0.657 -8.337 -1.043 535 HG11 VAL 69 HG11 VAL 69 0.113 -5.490 -0.191 536 HG12 VAL 69 HG12 VAL 69 -0.401 -6.951 0.655 537 HG13 VAL 69 HG13 VAL 69 -1.056 -6.577 -0.940 538 HG21 VAL 69 HG21 VAL 69 0.344 -6.848 -2.973 539 HG22 VAL 69 HG22 VAL 69 2.018 -7.391 -2.838 540 HG23 VAL 69 HG23 VAL 69 1.576 -5.760 -2.331 541 H THR 70 H THR 70 4.438 -6.368 -1.096 542 HA THR 70 HA THR 70 4.193 -3.734 0.209 543 HB THR 70 HB THR 70 6.663 -4.936 -1.063 544 HG1 THR 70 HG1 THR 70 6.316 -6.207 0.675 545 HG21 THR 70 HG21 THR 70 6.714 -2.494 -0.882 546 HG22 THR 70 HG22 THR 70 7.856 -3.236 0.239 547 HG23 THR 70 HG23 THR 70 6.320 -2.608 0.835 548 H ILE 71 H ILE 71 4.071 -1.873 -0.917 549 HA ILE 71 HA ILE 71 3.992 -1.972 -3.841 550 HB ILE 71 HB ILE 71 3.328 0.336 -1.990 551 HG12 ILE 71 HG12 ILE 71 1.803 -1.564 -1.634 552 HG13 ILE 71 HG13 ILE 71 0.970 -0.222 -2.408 553 HG21 ILE 71 HG21 ILE 71 3.931 1.089 -4.220 554 HG22 ILE 71 HG22 ILE 71 2.198 1.289 -3.966 555 HG23 ILE 71 HG23 ILE 71 2.798 -0.055 -4.942 556 HD11 ILE 71 HD11 ILE 71 0.308 -2.347 -3.369 557 HD12 ILE 71 HD12 ILE 71 1.985 -2.701 -3.786 558 HD13 ILE 71 HD13 ILE 71 1.146 -1.356 -4.562 559 H TRP 72 H TRP 72 5.959 -1.765 -4.775 560 HA TRP 72 HA TRP 72 7.941 0.089 -3.641 561 HB2 TRP 72 HB2 TRP 72 8.182 -1.976 -5.851 562 HB3 TRP 72 HB3 TRP 72 9.497 -0.939 -5.310 563 HD1 TRP 72 HD1 TRP 72 7.209 -3.738 -3.922 564 HE1 TRP 72 HE1 TRP 72 8.517 -5.019 -2.113 565 HE3 TRP 72 HE3 TRP 72 11.435 -0.869 -3.797 566 HZ2 TRP 72 HZ2 TRP 72 11.009 -4.837 -0.804 567 HZ3 TRP 72 HZ3 TRP 72 13.236 -1.494 -2.237 568 HH2 TRP 72 HH2 TRP 72 13.027 -3.434 -0.773 569 H ALA 73 H ALA 73 8.548 1.961 -4.646 570 HA ALA 73 HA ALA 73 6.855 3.148 -6.556 571 HB1 ALA 73 HB1 ALA 73 8.200 4.420 -4.945 572 HB2 ALA 73 HB2 ALA 73 8.454 4.976 -6.599 573 HB3 ALA 73 HB3 ALA 73 9.663 3.961 -5.813 574 H ALA 74 H ALA 74 7.403 3.934 -8.726 575 HA ALA 74 HA ALA 74 7.992 1.981 -10.546 576 HB1 ALA 74 HB1 ALA 74 8.496 4.934 -10.932 577 HB2 ALA 74 HB2 ALA 74 6.947 4.115 -11.124 578 HB3 ALA 74 HB3 ALA 74 8.282 3.738 -12.213 579 H ASN 75 H ASN 75 10.332 4.327 -9.243 580 HA ASN 75 HA ASN 75 12.502 2.937 -10.632 581 HB2 ASN 75 HB2 ASN 75 12.526 5.527 -9.057 582 HB3 ASN 75 HB3 ASN 75 13.923 4.827 -9.875 583 HD21 ASN 75 HD21 ASN 75 14.207 6.468 -11.312 584 HD22 ASN 75 HD22 ASN 75 13.093 6.832 -12.579 585 H ALA 76 H ALA 76 12.129 1.045 -9.217 586 HA ALA 76 HA ALA 76 13.687 1.288 -6.715 587 HB1 ALA 76 HB1 ALA 76 11.396 -0.609 -7.249 588 HB2 ALA 76 HB2 ALA 76 11.321 0.835 -6.241 589 HB3 ALA 76 HB3 ALA 76 12.344 -0.520 -5.764 590 H GLY 77 H GLY 77 13.904 0.256 -9.777 591 HA2 GLY 77 HA2 GLY 77 15.307 -1.181 -10.886 592 HA3 GLY 77 HA3 GLY 77 16.131 -1.430 -9.358 593 H VAL 78 H VAL 78 12.768 -2.178 -9.439 594 HA VAL 78 HA VAL 78 13.411 -4.995 -8.996 595 HB VAL 78 HB VAL 78 11.079 -5.214 -8.216 596 HG11 VAL 78 HG11 VAL 78 11.303 -3.838 -6.192 597 HG12 VAL 78 HG12 VAL 78 12.577 -2.898 -6.973 598 HG13 VAL 78 HG13 VAL 78 12.831 -4.608 -6.624 599 HG21 VAL 78 HG21 VAL 78 10.887 -2.254 -8.818 600 HG22 VAL 78 HG22 VAL 78 9.676 -3.209 -7.961 601 HG23 VAL 78 HG23 VAL 78 10.026 -3.545 -9.656 602 H THR 79 H THR 79 11.669 -6.594 -9.805 603 HA THR 79 HA THR 79 11.714 -6.466 -12.697 604 HB THR 79 HB THR 79 10.851 -8.769 -12.621 605 HG1 THR 79 HG1 THR 79 10.347 -9.732 -10.665 606 HG21 THR 79 HG21 THR 79 13.278 -8.395 -12.383 607 HG22 THR 79 HG22 THR 79 12.743 -9.828 -11.504 608 HG23 THR 79 HG23 THR 79 13.088 -8.336 -10.630 609 H ALA 80 H ALA 80 9.780 -7.154 -13.975 610 HA ALA 80 HA ALA 80 7.547 -5.449 -13.309 611 HB1 ALA 80 HB1 ALA 80 6.702 -6.003 -15.516 612 HB2 ALA 80 HB2 ALA 80 7.907 -7.279 -15.683 613 HB3 ALA 80 HB3 ALA 80 8.413 -5.591 -15.608 614 H SER 81 H SER 81 6.581 -6.384 -11.505 615 HA SER 81 HA SER 81 5.109 -7.678 -10.341 616 HB2 SER 81 HB2 SER 81 3.634 -7.207 -12.268 617 HB3 SER 81 HB3 SER 81 4.253 -8.636 -13.089 618 HG SER 81 HG SER 81 2.294 -9.086 -12.056 619 HA PRO 82 HA PRO 82 8.355 -10.989 -10.404 620 HB2 PRO 82 HB2 PRO 82 7.256 -11.161 -7.623 621 HB3 PRO 82 HB3 PRO 82 8.930 -11.253 -8.181 622 HG2 PRO 82 HG2 PRO 82 8.000 -9.002 -7.107 623 HG3 PRO 82 HG3 PRO 82 9.095 -8.950 -8.503 624 HD2 PRO 82 HD2 PRO 82 6.150 -8.462 -8.381 625 HD3 PRO 82 HD3 PRO 82 7.375 -7.732 -9.441 626 HA PRO 83 HA PRO 83 5.155 -10.431 -8.608 627 HB2 PRO 83 HB2 PRO 83 2.712 -11.290 -8.025 628 HB3 PRO 83 HB3 PRO 83 3.166 -10.961 -9.701 629 HG2 PRO 83 HG2 PRO 83 2.796 -13.569 -8.325 630 HG3 PRO 83 HG3 PRO 83 2.551 -13.150 -10.031 631 HD2 PRO 83 HD2 PRO 83 4.866 -14.365 -8.820 632 HD3 PRO 83 HD3 PRO 83 4.633 -13.924 -10.524 633 H THR 84 H THR 84 4.998 -9.828 -6.507 634 HA THR 84 HA THR 84 4.240 -11.460 -4.320 635 HB THR 84 HB THR 84 6.447 -12.459 -4.411 636 HG1 THR 84 HG1 THR 84 5.662 -10.871 -2.320 637 HG21 THR 84 HG21 THR 84 7.604 -10.727 -5.712 638 HG22 THR 84 HG22 THR 84 8.508 -11.150 -4.257 639 HG23 THR 84 HG23 THR 84 7.576 -9.654 -4.313 640 H ASP 85 H ASP 85 6.079 -8.679 -5.409 641 HA ASP 85 HA ASP 85 4.468 -6.972 -3.629 642 HB2 ASP 85 HB2 ASP 85 7.246 -6.410 -4.709 643 HB3 ASP 85 HB3 ASP 85 6.334 -5.395 -3.594 644 H LEU 86 H LEU 86 3.911 -4.834 -4.607 645 HA LEU 86 HA LEU 86 3.488 -5.158 -7.511 646 HB2 LEU 86 HB2 LEU 86 1.949 -3.536 -5.484 647 HB3 LEU 86 HB3 LEU 86 1.623 -3.529 -7.208 648 HG LEU 86 HG LEU 86 1.380 -5.924 -5.373 649 HD11 LEU 86 HD11 LEU 86 -1.019 -5.726 -5.768 650 HD12 LEU 86 HD12 LEU 86 -0.754 -4.273 -6.729 651 HD13 LEU 86 HD13 LEU 86 -0.381 -4.272 -5.005 652 HD21 LEU 86 HD21 LEU 86 2.071 -6.579 -7.625 653 HD22 LEU 86 HD22 LEU 86 0.732 -5.659 -8.314 654 HD23 LEU 86 HD23 LEU 86 0.408 -7.067 -7.305 655 H ILE 87 H ILE 87 3.960 -3.551 -8.961 656 HA ILE 87 HA ILE 87 5.881 -1.546 -8.033 657 HB ILE 87 HB ILE 87 5.239 -2.502 -10.838 658 HG12 ILE 87 HG12 ILE 87 7.628 -3.357 -10.721 659 HG13 ILE 87 HG13 ILE 87 7.601 -3.004 -8.999 660 HG21 ILE 87 HG21 ILE 87 7.183 -1.170 -11.556 661 HG22 ILE 87 HG22 ILE 87 7.325 -0.513 -9.926 662 HG23 ILE 87 HG23 ILE 87 5.895 -0.161 -10.897 663 HD11 ILE 87 HD11 ILE 87 7.204 -5.357 -9.444 664 HD12 ILE 87 HD12 ILE 87 5.800 -4.947 -10.430 665 HD13 ILE 87 HD13 ILE 87 5.792 -4.609 -8.698 666 H TRP 88 H TRP 88 5.311 0.491 -7.780 667 HA TRP 88 HA TRP 88 2.767 1.498 -8.788 668 HB2 TRP 88 HB2 TRP 88 3.588 1.819 -6.408 669 HB3 TRP 88 HB3 TRP 88 4.804 2.912 -7.047 670 HD1 TRP 88 HD1 TRP 88 2.136 3.905 -9.134 671 HE1 TRP 88 HE1 TRP 88 0.694 5.781 -8.119 672 HE3 TRP 88 HE3 TRP 88 3.623 3.520 -4.261 673 HZ2 TRP 88 HZ2 TRP 88 0.250 6.942 -5.594 674 HZ3 TRP 88 HZ3 TRP 88 2.644 5.057 -2.607 675 HH2 TRP 88 HH2 TRP 88 0.993 6.731 -3.262 676 H LYS 89 H LYS 89 3.326 1.628 -11.053 677 HA LYS 89 HA LYS 89 5.591 3.147 -11.927 678 HB2 LYS 89 HB2 LYS 89 3.192 2.185 -13.494 679 HB3 LYS 89 HB3 LYS 89 4.651 2.872 -14.197 680 HG2 LYS 89 HG2 LYS 89 5.928 0.993 -13.094 681 HG3 LYS 89 HG3 LYS 89 4.365 0.263 -12.717 682 HD2 LYS 89 HD2 LYS 89 5.394 0.938 -15.483 683 HD3 LYS 89 HD3 LYS 89 5.323 -0.675 -14.774 684 HE2 LYS 89 HE2 LYS 89 2.903 -0.576 -14.702 685 HE3 LYS 89 HE3 LYS 89 2.923 1.094 -15.270 686 HZ1 LYS 89 HZ1 LYS 89 3.885 -1.256 -16.810 687 HZ2 LYS 89 HZ2 LYS 89 3.872 0.345 -17.353 688 HZ3 LYS 89 HZ3 LYS 89 2.415 -0.457 -17.052 689 H ASN 90 H ASN 90 2.448 4.038 -10.938 690 HA ASN 90 HA ASN 90 2.010 6.330 -12.537 691 HB2 ASN 90 HB2 ASN 90 1.033 5.946 -9.696 692 HB3 ASN 90 HB3 ASN 90 0.305 6.942 -10.951 693 HD21 ASN 90 HD21 ASN 90 -1.663 5.904 -10.805 694 HD22 ASN 90 HD22 ASN 90 -1.906 4.288 -11.367 695 H GLN 91 H GLN 91 4.259 5.776 -10.037 696 HA GLN 91 HA GLN 91 5.060 8.579 -10.041 697 HB2 GLN 91 HB2 GLN 91 3.486 8.381 -8.145 698 HB3 GLN 91 HB3 GLN 91 4.461 7.081 -7.476 699 HG2 GLN 91 HG2 GLN 91 6.366 8.711 -7.329 700 HG3 GLN 91 HG3 GLN 91 5.228 9.979 -7.781 701 HE21 GLN 91 HE21 GLN 91 4.419 7.247 -5.745 702 HE22 GLN 91 HE22 GLN 91 4.206 8.156 -4.301 703 H ASN 92 H ASN 92 7.261 8.827 -9.864 704 HA ASN 92 HA ASN 92 8.943 6.511 -9.919 705 HB2 ASN 92 HB2 ASN 92 9.741 9.416 -9.590 706 HB3 ASN 92 HB3 ASN 92 10.804 8.092 -10.056 707 HD21 ASN 92 HD21 ASN 92 10.486 7.119 -12.130 708 HD22 ASN 92 HD22 ASN 92 9.700 7.994 -13.393 709 H SER 93 H SER 93 11.118 6.888 -8.420 710 HA SER 93 HA SER 93 10.185 6.194 -5.779 711 HB2 SER 93 HB2 SER 93 12.061 4.980 -6.801 712 HB3 SER 93 HB3 SER 93 13.010 6.464 -6.843 713 HG SER 93 HG SER 93 12.975 4.742 -4.921 714 H TRP 94 H TRP 94 10.529 7.298 -3.842 715 HA TRP 94 HA TRP 94 11.547 10.059 -4.083 716 HB2 TRP 94 HB2 TRP 94 9.804 10.868 -2.614 717 HB3 TRP 94 HB3 TRP 94 9.062 10.030 -3.969 718 HD1 TRP 94 HD1 TRP 94 9.500 9.816 -0.184 719 HE1 TRP 94 HE1 TRP 94 7.899 8.032 0.746 720 HE3 TRP 94 HE3 TRP 94 7.863 7.804 -4.595 721 HZ2 TRP 94 HZ2 TRP 94 6.169 6.040 -0.250 722 HZ3 TRP 94 HZ3 TRP 94 6.235 5.964 -4.516 723 HH2 TRP 94 HH2 TRP 94 5.404 5.100 -2.387 724 H GLY 95 H GLY 95 12.380 10.989 -2.097 725 HA2 GLY 95 HA2 GLY 95 12.749 9.333 0.234 726 HA3 GLY 95 HA3 GLY 95 14.213 9.497 -0.723 727 H THR 96 H THR 96 13.379 10.469 2.019 728 HA THR 96 HA THR 96 14.833 12.836 2.132 729 HB THR 96 HB THR 96 13.086 13.960 0.876 730 HG1 THR 96 HG1 THR 96 13.293 14.619 3.634 731 HG21 THR 96 HG21 THR 96 11.182 13.082 3.059 732 HG22 THR 96 HG22 THR 96 11.198 12.487 1.399 733 HG23 THR 96 HG23 THR 96 10.792 14.173 1.728 734 H GLY 97 H GLY 97 12.361 10.807 3.525 735 HA2 GLY 97 HA2 GLY 97 12.311 10.016 5.721 736 HA3 GLY 97 HA3 GLY 97 13.489 11.236 6.172 737 H GLU 98 H GLU 98 10.533 12.067 4.474 738 HA GLU 98 HA GLU 98 9.547 13.491 6.850 739 HB2 GLU 98 HB2 GLU 98 8.717 13.660 3.939 740 HB3 GLU 98 HB3 GLU 98 7.983 14.593 5.236 741 HG2 GLU 98 HG2 GLU 98 10.898 14.744 4.476 742 HG3 GLU 98 HG3 GLU 98 9.655 15.837 3.874 743 H ASP 99 H ASP 99 7.492 13.110 7.725 744 HA ASP 99 HA ASP 99 6.490 10.483 7.530 745 HB2 ASP 99 HB2 ASP 99 5.287 12.959 8.774 746 HB3 ASP 99 HB3 ASP 99 4.553 11.365 8.895 747 H VAL 100 H VAL 100 5.790 9.853 5.547 748 HA VAL 100 HA VAL 100 3.792 11.412 4.121 749 HB VAL 100 HB VAL 100 5.486 10.299 2.778 750 HG11 VAL 100 HG11 VAL 100 4.403 7.688 3.842 751 HG12 VAL 100 HG12 VAL 100 5.963 8.402 4.250 752 HG13 VAL 100 HG13 VAL 100 5.642 7.873 2.599 753 HG21 VAL 100 HG21 VAL 100 4.033 9.140 1.170 754 HG22 VAL 100 HG22 VAL 100 3.291 10.623 1.770 755 HG23 VAL 100 HG23 VAL 100 2.756 9.059 2.384 756 H LYS 101 H LYS 101 1.667 11.148 4.280 757 HA LYS 101 HA LYS 101 0.631 8.884 5.852 758 HB2 LYS 101 HB2 LYS 101 0.089 10.974 6.847 759 HB3 LYS 101 HB3 LYS 101 -0.440 11.653 5.315 760 HG2 LYS 101 HG2 LYS 101 -2.422 10.357 5.313 761 HG3 LYS 101 HG3 LYS 101 -1.838 9.332 6.625 762 HD2 LYS 101 HD2 LYS 101 -3.561 11.068 7.260 763 HD3 LYS 101 HD3 LYS 101 -2.084 11.062 8.221 764 HE2 LYS 101 HE2 LYS 101 -2.871 13.343 7.600 765 HE3 LYS 101 HE3 LYS 101 -1.237 12.982 7.049 766 HZ1 LYS 101 HZ1 LYS 101 -3.583 12.636 5.288 767 HZ2 LYS 101 HZ2 LYS 101 -1.953 12.773 4.855 768 HZ3 LYS 101 HZ3 LYS 101 -2.792 14.120 5.434 769 H VAL 102 H VAL 102 -0.427 7.308 4.830 770 HA VAL 102 HA VAL 102 -1.292 7.791 2.052 771 HB VAL 102 HB VAL 102 -0.532 5.153 3.324 772 HG11 VAL 102 HG11 VAL 102 -1.044 5.918 0.445 773 HG12 VAL 102 HG12 VAL 102 -2.048 4.873 1.452 774 HG13 VAL 102 HG13 VAL 102 -0.428 4.356 0.987 775 HG21 VAL 102 HG21 VAL 102 1.091 6.955 1.519 776 HG22 VAL 102 HG22 VAL 102 1.560 5.338 2.047 777 HG23 VAL 102 HG23 VAL 102 1.400 6.640 3.227 778 H ILE 103 H ILE 103 -3.241 6.910 1.291 779 HA ILE 103 HA ILE 103 -5.256 6.329 3.383 780 HB ILE 103 HB ILE 103 -5.783 7.634 0.704 781 HG12 ILE 103 HG12 ILE 103 -4.312 9.100 2.026 782 HG13 ILE 103 HG13 ILE 103 -5.924 9.787 1.878 783 HG21 ILE 103 HG21 ILE 103 -7.711 6.537 1.695 784 HG22 ILE 103 HG22 ILE 103 -7.916 8.289 1.731 785 HG23 ILE 103 HG23 ILE 103 -7.465 7.424 3.200 786 HD11 ILE 103 HD11 ILE 103 -6.440 9.051 4.152 787 HD12 ILE 103 HD12 ILE 103 -5.026 10.102 4.108 788 HD13 ILE 103 HD13 ILE 103 -4.823 8.361 4.293 789 H LEU 104 H LEU 104 -6.245 4.359 3.220 790 HA LEU 104 HA LEU 104 -6.246 2.978 0.602 791 HB2 LEU 104 HB2 LEU 104 -6.349 1.899 3.415 792 HB3 LEU 104 HB3 LEU 104 -6.745 0.916 2.021 793 HG LEU 104 HG LEU 104 -4.064 2.214 2.538 794 HD11 LEU 104 HD11 LEU 104 -3.285 -0.088 2.905 795 HD12 LEU 104 HD12 LEU 104 -4.939 -0.673 2.736 796 HD13 LEU 104 HD13 LEU 104 -4.509 0.380 4.083 797 HD21 LEU 104 HD21 LEU 104 -4.941 0.316 0.353 798 HD22 LEU 104 HD22 LEU 104 -3.297 0.898 0.618 799 HD23 LEU 104 HD23 LEU 104 -4.566 2.028 0.145 800 H LYS 105 H LYS 105 -8.151 3.411 -0.404 801 HA LYS 105 HA LYS 105 -10.627 2.914 1.130 802 HB2 LYS 105 HB2 LYS 105 -10.096 4.942 -1.039 803 HB3 LYS 105 HB3 LYS 105 -11.727 4.440 -0.611 804 HG2 LYS 105 HG2 LYS 105 -11.296 5.170 1.724 805 HG3 LYS 105 HG3 LYS 105 -9.720 5.772 1.207 806 HD2 LYS 105 HD2 LYS 105 -10.700 7.432 -0.174 807 HD3 LYS 105 HD3 LYS 105 -12.295 6.683 -0.070 808 HE2 LYS 105 HE2 LYS 105 -12.237 8.663 1.319 809 HE3 LYS 105 HE3 LYS 105 -12.370 7.233 2.333 810 HZ1 LYS 105 HZ1 LYS 105 -9.873 8.756 1.823 811 HZ2 LYS 105 HZ2 LYS 105 -10.006 7.389 2.818 812 HZ3 LYS 105 HZ3 LYS 105 -10.797 8.825 3.232 813 H ASN 106 H ASN 106 -12.200 1.657 0.245 814 HA ASN 106 HA ASN 106 -11.328 -0.233 -1.746 815 HB2 ASN 106 HB2 ASN 106 -13.963 -0.081 -0.261 816 HB3 ASN 106 HB3 ASN 106 -13.356 -1.465 -1.167 817 HD21 ASN 106 HD21 ASN 106 -11.678 -2.705 -0.282 818 HD22 ASN 106 HD22 ASN 106 -11.243 -2.583 1.382 819 H SER 107 H SER 107 -13.308 -1.057 -3.190 820 HA SER 107 HA SER 107 -13.443 0.664 -5.360 821 HB2 SER 107 HB2 SER 107 -15.196 -0.904 -6.231 822 HB3 SER 107 HB3 SER 107 -13.757 -1.723 -5.622 823 HG SER 107 HG SER 107 -15.996 -2.469 -4.954 824 H GLN 108 H GLN 108 -16.020 -0.018 -2.973 825 HA GLN 108 HA GLN 108 -17.894 1.776 -4.155 826 HB2 GLN 108 HB2 GLN 108 -17.843 0.623 -1.358 827 HB3 GLN 108 HB3 GLN 108 -19.202 1.477 -2.077 828 HG2 GLN 108 HG2 GLN 108 -19.228 -0.294 -3.871 829 HG3 GLN 108 HG3 GLN 108 -18.066 -1.189 -2.894 830 HE21 GLN 108 HE21 GLN 108 -18.744 -2.035 -0.886 831 HE22 GLN 108 HE22 GLN 108 -20.416 -2.230 -0.509 832 H GLY 109 H GLY 109 -15.097 2.536 -2.520 833 HA2 GLY 109 HA2 GLY 109 -14.423 4.780 -2.135 834 HA3 GLY 109 HA3 GLY 109 -16.105 5.236 -1.933 835 H GLU 110 H GLU 110 -16.282 2.730 -0.087 836 HA GLU 110 HA GLU 110 -15.847 4.083 2.372 837 HB2 GLU 110 HB2 GLU 110 -16.364 1.878 3.419 838 HB3 GLU 110 HB3 GLU 110 -17.572 2.421 2.265 839 HG2 GLU 110 HG2 GLU 110 -16.528 0.914 0.566 840 HG3 GLU 110 HG3 GLU 110 -15.481 0.291 1.842 841 H GLU 111 H GLU 111 -14.283 3.695 3.991 842 HA GLU 111 HA GLU 111 -11.680 2.992 2.808 843 HB2 GLU 111 HB2 GLU 111 -11.953 5.307 3.536 844 HB3 GLU 111 HB3 GLU 111 -12.389 4.768 5.153 845 HG2 GLU 111 HG2 GLU 111 -10.133 3.803 5.413 846 HG3 GLU 111 HG3 GLU 111 -9.706 4.426 3.816 847 H VAL 112 H VAL 112 -10.521 1.302 3.564 848 HA VAL 112 HA VAL 112 -11.369 -0.193 5.872 849 HB VAL 112 HB VAL 112 -9.282 -1.546 5.507 850 HG11 VAL 112 HG11 VAL 112 -11.076 -1.184 3.105 851 HG12 VAL 112 HG12 VAL 112 -11.401 -2.207 4.504 852 HG13 VAL 112 HG13 VAL 112 -10.058 -2.589 3.425 853 HG21 VAL 112 HG21 VAL 112 -7.872 0.185 4.510 854 HG22 VAL 112 HG22 VAL 112 -8.936 0.262 3.105 855 HG23 VAL 112 HG23 VAL 112 -8.009 -1.204 3.432 856 H ALA 113 H ALA 113 -8.581 1.921 5.150 857 HA ALA 113 HA ALA 113 -8.423 2.945 7.769 858 HB1 ALA 113 HB1 ALA 113 -6.366 1.898 8.586 859 HB2 ALA 113 HB2 ALA 113 -6.343 0.831 7.180 860 HB3 ALA 113 HB3 ALA 113 -7.645 0.705 8.363 861 H GLN 114 H GLN 114 -7.389 4.843 7.682 862 HA GLN 114 HA GLN 114 -5.288 5.271 5.651 863 HB2 GLN 114 HB2 GLN 114 -5.587 7.685 6.112 864 HB3 GLN 114 HB3 GLN 114 -7.077 6.927 5.573 865 HG2 GLN 114 HG2 GLN 114 -7.845 6.817 7.911 866 HG3 GLN 114 HG3 GLN 114 -6.370 7.636 8.417 867 HE21 GLN 114 HE21 GLN 114 -9.167 8.442 8.688 868 HE22 GLN 114 HE22 GLN 114 -9.303 9.976 7.912 869 H ARG 115 H ARG 115 -3.185 5.971 6.306 870 HA ARG 115 HA ARG 115 -2.596 6.147 9.148 871 HB2 ARG 115 HB2 ARG 115 -2.847 3.679 8.575 872 HB3 ARG 115 HB3 ARG 115 -1.402 3.846 7.590 873 HG2 ARG 115 HG2 ARG 115 -0.102 4.459 9.554 874 HG3 ARG 115 HG3 ARG 115 -1.553 4.389 10.555 875 HD2 ARG 115 HD2 ARG 115 -1.778 1.968 9.853 876 HD3 ARG 115 HD3 ARG 115 -0.169 2.108 9.143 877 HE ARG 115 HE ARG 115 -0.200 2.943 11.865 878 HH11 ARG 115 HH11 ARG 115 -0.162 0.134 9.860 879 HH12 ARG 115 HH12 ARG 115 0.562 -0.852 11.085 880 HH21 ARG 115 HH21 ARG 115 0.722 1.643 13.423 881 HH22 ARG 115 HH22 ARG 115 1.058 -0.012 13.057 882 H SER 116 H SER 116 -0.554 6.967 9.619 883 HA SER 116 HA SER 116 1.061 7.847 7.305 884 HB2 SER 116 HB2 SER 116 1.924 9.634 8.785 885 HB3 SER 116 HB3 SER 116 0.172 9.712 8.623 886 HG SER 116 HG SER 116 1.678 9.367 10.850 887 H THR 117 H THR 117 3.448 8.151 7.858 888 HA THR 117 HA THR 117 4.543 5.679 8.784 889 HB THR 117 HB THR 117 6.756 6.783 8.472 890 HG1 THR 117 HG1 THR 117 6.341 8.911 8.972 891 HG21 THR 117 HG21 THR 117 4.820 7.208 6.187 892 HG22 THR 117 HG22 THR 117 5.645 5.697 6.575 893 HG23 THR 117 HG23 THR 117 6.576 7.101 6.052 894 H VAL 118 H VAL 118 6.249 5.522 10.448 895 HA VAL 118 HA VAL 118 6.273 7.568 12.522 896 HB VAL 118 HB VAL 118 4.508 6.137 13.332 897 HG11 VAL 118 HG11 VAL 118 4.829 3.751 13.793 898 HG12 VAL 118 HG12 VAL 118 6.432 3.825 13.064 899 HG13 VAL 118 HG13 VAL 118 5.000 4.107 12.074 900 HG21 VAL 118 HG21 VAL 118 6.032 7.033 15.006 901 HG22 VAL 118 HG22 VAL 118 7.074 5.619 14.837 902 HG23 VAL 118 HG23 VAL 118 5.445 5.443 15.495 903 H PHE 119 H PHE 119 8.347 7.992 12.901 904 HA PHE 119 HA PHE 119 10.389 6.105 12.103 905 HB2 PHE 119 HB2 PHE 119 10.629 8.871 13.314 906 HB3 PHE 119 HB3 PHE 119 11.976 7.916 12.700 907 HD1 PHE 119 HD1 PHE 119 11.746 7.110 10.220 908 HD2 PHE 119 HD2 PHE 119 9.592 10.381 11.892 909 HE1 PHE 119 HE1 PHE 119 11.360 8.007 7.963 910 HE2 PHE 119 HE2 PHE 119 9.202 11.280 9.637 911 HZ PHE 119 HZ PHE 119 10.087 10.093 7.670 912 H LYS 120 H LYS 120 11.026 4.517 13.396 913 HA LYS 120 HA LYS 120 10.742 4.652 16.273 914 HB2 LYS 120 HB2 LYS 120 11.977 2.548 14.475 915 HB3 LYS 120 HB3 LYS 120 11.812 2.385 16.220 916 HG2 LYS 120 HG2 LYS 120 9.355 2.562 15.970 917 HG3 LYS 120 HG3 LYS 120 9.565 2.633 14.218 918 HD2 LYS 120 HD2 LYS 120 10.575 0.421 14.222 919 HD3 LYS 120 HD3 LYS 120 10.477 0.350 15.982 920 HE2 LYS 120 HE2 LYS 120 8.673 -0.942 15.033 921 HE3 LYS 120 HE3 LYS 120 8.006 0.494 15.808 922 HZ1 LYS 120 HZ1 LYS 120 7.927 1.534 13.579 923 HZ2 LYS 120 HZ2 LYS 120 6.940 0.169 13.708 924 HZ3 LYS 120 HZ3 LYS 120 8.415 0.071 12.897 925 H THR 121 H THR 121 12.140 5.901 17.381 926 HA THR 121 HA THR 121 14.838 6.385 16.495 927 HB THR 121 HB THR 121 15.098 7.665 18.606 928 HG1 THR 121 HG1 THR 121 13.757 6.454 19.984 929 HG21 THR 121 HG21 THR 121 14.130 8.757 16.634 930 HG22 THR 121 HG22 THR 121 13.435 9.394 18.124 931 HG23 THR 121 HG23 THR 121 12.517 8.251 17.143 932 H THR 122 H THR 122 16.286 4.780 16.612 933 HA THR 122 HA THR 122 16.647 3.418 19.193 934 HB THR 122 HB THR 122 15.422 1.777 18.019 935 HG1 THR 122 HG1 THR 122 18.223 1.266 17.967 936 HG21 THR 122 HG21 THR 122 17.289 2.118 15.667 937 HG22 THR 122 HG22 THR 122 15.623 2.689 15.745 938 HG23 THR 122 HG23 THR 122 15.966 0.958 15.780 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -24.601 2.880 -21.221 2 H2 MET 1 H2 MET 1 -25.383 1.446 -21.646 3 H3 MET 1 H3 MET 1 -24.730 2.433 -22.848 4 HA MET 1 HA MET 1 -23.318 0.544 -22.514 5 HB2 MET 1 HB2 MET 1 -22.142 3.098 -21.379 6 HB3 MET 1 HB3 MET 1 -21.199 1.729 -21.952 7 HG2 MET 1 HG2 MET 1 -23.040 3.433 -23.616 8 HG3 MET 1 HG3 MET 1 -21.279 3.501 -23.609 9 HE1 MET 1 HE1 MET 1 -20.312 0.035 -25.156 10 HE2 MET 1 HE2 MET 1 -20.519 0.369 -23.436 11 HE3 MET 1 HE3 MET 1 -19.719 1.549 -24.474 12 H GLY 2 H GLY 2 -22.146 -0.846 -21.148 13 HA2 GLY 2 HA2 GLY 2 -23.151 -1.217 -18.525 14 HA3 GLY 2 HA3 GLY 2 -21.768 -2.042 -19.222 15 H HIS 3 H HIS 3 -22.239 -0.906 -16.492 16 HA HIS 3 HA HIS 3 -19.829 0.804 -16.359 17 HB2 HIS 3 HB2 HIS 3 -22.461 1.142 -14.927 18 HB3 HIS 3 HB3 HIS 3 -20.980 1.872 -14.318 19 HD1 HIS 3 HD1 HIS 3 -20.246 4.025 -15.366 20 HD2 HIS 3 HD2 HIS 3 -23.303 2.183 -17.495 21 HE1 HIS 3 HE1 HIS 3 -20.962 5.699 -17.094 22 HE2 HIS 3 HE2 HIS 3 -22.926 4.633 -18.251 23 H HIS 4 H HIS 4 -20.389 -2.173 -15.858 24 HA HIS 4 HA HIS 4 -18.972 -2.246 -13.265 25 HB2 HIS 4 HB2 HIS 4 -21.063 -4.235 -14.189 26 HB3 HIS 4 HB3 HIS 4 -20.111 -4.364 -12.713 27 HD1 HIS 4 HD1 HIS 4 -23.299 -3.270 -13.870 28 HD2 HIS 4 HD2 HIS 4 -20.652 -1.974 -10.945 29 HE1 HIS 4 HE1 HIS 4 -24.664 -1.856 -12.310 30 HE2 HIS 4 HE2 HIS 4 -23.070 -1.174 -10.491 31 H HIS 5 H HIS 5 -16.936 -2.808 -13.750 32 HA HIS 5 HA HIS 5 -16.352 -4.595 -15.980 33 HB2 HIS 5 HB2 HIS 5 -14.570 -3.056 -14.080 34 HB3 HIS 5 HB3 HIS 5 -13.950 -4.131 -15.332 35 HD1 HIS 5 HD1 HIS 5 -14.968 -0.687 -14.773 36 HD2 HIS 5 HD2 HIS 5 -14.769 -3.271 -18.019 37 HE1 HIS 5 HE1 HIS 5 -15.034 0.780 -16.806 38 HE2 HIS 5 HE2 HIS 5 -15.083 -0.816 -18.749 39 H HIS 6 H HIS 6 -15.332 -4.540 -12.545 40 HA HIS 6 HA HIS 6 -15.134 -7.478 -12.665 41 HB2 HIS 6 HB2 HIS 6 -13.709 -7.107 -10.517 42 HB3 HIS 6 HB3 HIS 6 -12.998 -6.786 -12.092 43 HD1 HIS 6 HD1 HIS 6 -14.250 -5.031 -9.010 44 HD2 HIS 6 HD2 HIS 6 -12.282 -4.152 -12.561 45 HE1 HIS 6 HE1 HIS 6 -13.423 -2.676 -8.756 46 HE2 HIS 6 HE2 HIS 6 -12.068 -2.248 -10.834 47 H HIS 7 H HIS 7 -16.572 -8.622 -11.633 48 HA HIS 7 HA HIS 7 -17.955 -7.530 -9.280 49 HB2 HIS 7 HB2 HIS 7 -20.111 -8.507 -10.194 50 HB3 HIS 7 HB3 HIS 7 -19.518 -7.075 -11.028 51 HD1 HIS 7 HD1 HIS 7 -20.096 -10.738 -11.498 52 HD2 HIS 7 HD2 HIS 7 -18.694 -7.493 -13.685 53 HE1 HIS 7 HE1 HIS 7 -20.009 -11.519 -13.882 54 HE2 HIS 7 HE2 HIS 7 -19.257 -9.514 -15.198 55 H HIS 8 H HIS 8 -17.499 -8.894 -7.691 56 HA HIS 8 HA HIS 8 -17.695 -11.790 -8.151 57 HB2 HIS 8 HB2 HIS 8 -15.316 -11.142 -8.348 58 HB3 HIS 8 HB3 HIS 8 -15.384 -10.408 -6.753 59 HD1 HIS 8 HD1 HIS 8 -15.546 -13.799 -8.424 60 HD2 HIS 8 HD2 HIS 8 -14.922 -12.139 -4.668 61 HE1 HIS 8 HE1 HIS 8 -14.825 -15.702 -6.962 62 HE2 HIS 8 HE2 HIS 8 -14.623 -14.705 -4.659 63 H SER 9 H SER 9 -18.057 -13.031 -6.192 64 HA SER 9 HA SER 9 -19.970 -12.102 -4.466 65 HB2 SER 9 HB2 SER 9 -19.396 -14.480 -4.668 66 HB3 SER 9 HB3 SER 9 -17.873 -14.195 -3.826 67 HG SER 9 HG SER 9 -19.778 -15.001 -2.575 68 H HIS 10 H HIS 10 -20.061 -10.803 -2.721 69 HA HIS 10 HA HIS 10 -17.845 -9.113 -2.230 70 HB2 HIS 10 HB2 HIS 10 -20.601 -9.306 -1.066 71 HB3 HIS 10 HB3 HIS 10 -19.416 -8.213 -0.358 72 HD1 HIS 10 HD1 HIS 10 -18.484 -6.317 -1.972 73 HD2 HIS 10 HD2 HIS 10 -21.831 -8.362 -3.339 74 HE1 HIS 10 HE1 HIS 10 -19.428 -4.901 -3.810 75 HE2 HIS 10 HE2 HIS 10 -21.600 -6.015 -4.399 76 H MET 11 H MET 11 -16.384 -8.994 -0.707 77 HA MET 11 HA MET 11 -16.785 -10.228 1.902 78 HB2 MET 11 HB2 MET 11 -14.522 -10.879 0.026 79 HB3 MET 11 HB3 MET 11 -14.225 -10.856 1.759 80 HG2 MET 11 HG2 MET 11 -16.288 -12.556 0.367 81 HG3 MET 11 HG3 MET 11 -14.713 -13.106 0.943 82 HE1 MET 11 HE1 MET 11 -17.340 -14.614 1.794 83 HE2 MET 11 HE2 MET 11 -17.089 -14.807 3.528 84 HE3 MET 11 HE3 MET 11 -15.743 -15.041 2.412 85 H THR 12 H THR 12 -15.329 -9.286 3.550 86 HA THR 12 HA THR 12 -15.197 -6.457 3.287 87 HB THR 12 HB THR 12 -14.074 -6.487 5.508 88 HG1 THR 12 HG1 THR 12 -13.964 -8.692 6.473 89 HG21 THR 12 HG21 THR 12 -15.918 -7.529 6.761 90 HG22 THR 12 HG22 THR 12 -16.469 -8.326 5.287 91 HG23 THR 12 HG23 THR 12 -16.517 -6.567 5.411 92 H GLY 13 H GLY 13 -12.667 -8.960 3.268 93 HA2 GLY 13 HA2 GLY 13 -10.519 -8.904 2.418 94 HA3 GLY 13 HA3 GLY 13 -10.875 -7.322 1.741 95 H ASN 14 H ASN 14 -9.865 -9.017 4.671 96 HA ASN 14 HA ASN 14 -9.333 -6.623 6.168 97 HB2 ASN 14 HB2 ASN 14 -8.424 -9.460 6.721 98 HB3 ASN 14 HB3 ASN 14 -8.468 -8.132 7.877 99 HD21 ASN 14 HD21 ASN 14 -10.481 -7.449 8.682 100 HD22 ASN 14 HD22 ASN 14 -11.895 -8.425 8.526 101 H VAL 15 H VAL 15 -7.951 -6.268 3.838 102 HA VAL 15 HA VAL 15 -5.135 -6.922 4.386 103 HB VAL 15 HB VAL 15 -6.326 -5.702 1.881 104 HG11 VAL 15 HG11 VAL 15 -3.597 -6.902 2.393 105 HG12 VAL 15 HG12 VAL 15 -3.956 -5.188 2.172 106 HG13 VAL 15 HG13 VAL 15 -4.189 -6.316 0.836 107 HG21 VAL 15 HG21 VAL 15 -7.217 -7.941 2.204 108 HG22 VAL 15 HG22 VAL 15 -5.591 -8.580 2.453 109 HG23 VAL 15 HG23 VAL 15 -6.055 -7.939 0.876 110 H CYS 16 H CYS 16 -4.438 -5.448 5.866 111 HA CYS 16 HA CYS 16 -4.855 -2.575 5.289 112 HB2 CYS 16 HB2 CYS 16 -4.462 -2.216 7.716 113 HB3 CYS 16 HB3 CYS 16 -5.854 -3.247 7.400 114 HG CYS 16 HG CYS 16 -3.185 -5.134 7.758 115 H ILE 17 H ILE 17 -3.073 -1.111 5.800 116 HA ILE 17 HA ILE 17 -0.559 -1.942 4.841 117 HB ILE 17 HB ILE 17 -1.215 0.489 6.528 118 HG12 ILE 17 HG12 ILE 17 -0.977 0.198 3.516 119 HG13 ILE 17 HG13 ILE 17 -2.486 0.366 4.407 120 HG21 ILE 17 HG21 ILE 17 0.862 1.450 5.589 121 HG22 ILE 17 HG22 ILE 17 1.217 -0.105 4.833 122 HG23 ILE 17 HG23 ILE 17 1.168 0.030 6.590 123 HD11 ILE 17 HD11 ILE 17 -1.787 2.591 5.153 124 HD12 ILE 17 HD12 ILE 17 -1.839 2.464 3.395 125 HD13 ILE 17 HD13 ILE 17 -0.290 2.418 4.235 126 H GLU 18 H GLU 18 1.233 -2.764 5.850 127 HA GLU 18 HA GLU 18 1.100 -3.310 8.716 128 HB2 GLU 18 HB2 GLU 18 1.851 -5.081 7.120 129 HB3 GLU 18 HB3 GLU 18 3.248 -4.089 6.719 130 HG2 GLU 18 HG2 GLU 18 3.927 -4.192 9.117 131 HG3 GLU 18 HG3 GLU 18 2.604 -5.323 9.394 132 H GLU 19 H GLU 19 3.737 -2.150 6.603 133 HA GLU 19 HA GLU 19 4.244 0.098 8.386 134 HB2 GLU 19 HB2 GLU 19 5.518 -1.815 9.342 135 HB3 GLU 19 HB3 GLU 19 6.376 -1.978 7.815 136 HG2 GLU 19 HG2 GLU 19 7.313 0.266 8.102 137 HG3 GLU 19 HG3 GLU 19 6.454 0.429 9.632 138 H ILE 20 H ILE 20 5.123 1.830 7.358 139 HA ILE 20 HA ILE 20 5.741 1.555 4.489 140 HB ILE 20 HB ILE 20 5.213 4.069 6.096 141 HG12 ILE 20 HG12 ILE 20 3.367 2.542 4.235 142 HG13 ILE 20 HG13 ILE 20 3.233 2.593 5.989 143 HG21 ILE 20 HG21 ILE 20 6.566 4.509 4.129 144 HG22 ILE 20 HG22 ILE 20 4.940 5.147 3.893 145 HG23 ILE 20 HG23 ILE 20 5.418 3.639 3.111 146 HD11 ILE 20 HD11 ILE 20 2.935 4.936 4.124 147 HD12 ILE 20 HD12 ILE 20 2.814 4.993 5.884 148 HD13 ILE 20 HD13 ILE 20 1.633 4.077 4.948 149 H ASP 21 H ASP 21 7.721 2.225 3.631 150 HA ASP 21 HA ASP 21 9.932 2.266 5.462 151 HB2 ASP 21 HB2 ASP 21 10.205 1.084 3.385 152 HB3 ASP 21 HB3 ASP 21 9.815 2.529 2.454 153 H VAL 22 H VAL 22 11.525 3.853 5.682 154 HA VAL 22 HA VAL 22 10.459 6.564 5.711 155 HB VAL 22 HB VAL 22 11.440 5.723 7.758 156 HG11 VAL 22 HG11 VAL 22 14.009 5.392 6.204 157 HG12 VAL 22 HG12 VAL 22 12.983 4.092 6.812 158 HG13 VAL 22 HG13 VAL 22 13.816 5.158 7.943 159 HG21 VAL 22 HG21 VAL 22 12.996 7.521 8.276 160 HG22 VAL 22 HG22 VAL 22 11.674 8.130 7.280 161 HG23 VAL 22 HG23 VAL 22 13.253 7.827 6.558 162 H ASP 23 H ASP 23 12.997 4.756 4.066 163 HA ASP 23 HA ASP 23 14.456 7.031 3.108 164 HB2 ASP 23 HB2 ASP 23 15.569 4.885 3.328 165 HB3 ASP 23 HB3 ASP 23 14.427 4.132 2.220 166 H GLY 24 H GLY 24 11.754 5.159 1.937 167 HA2 GLY 24 HA2 GLY 24 10.204 6.155 0.358 168 HA3 GLY 24 HA3 GLY 24 11.573 6.920 -0.437 169 H LYS 25 H LYS 25 11.478 3.575 0.641 170 HA LYS 25 HA LYS 25 12.023 2.696 -2.092 171 HB2 LYS 25 HB2 LYS 25 12.103 1.110 0.483 172 HB3 LYS 25 HB3 LYS 25 12.708 0.588 -1.084 173 HG2 LYS 25 HG2 LYS 25 14.394 2.365 -1.020 174 HG3 LYS 25 HG3 LYS 25 13.788 2.876 0.559 175 HD2 LYS 25 HD2 LYS 25 14.305 0.588 1.421 176 HD3 LYS 25 HD3 LYS 25 15.048 0.217 -0.138 177 HE2 LYS 25 HE2 LYS 25 15.911 2.328 1.837 178 HE3 LYS 25 HE3 LYS 25 16.767 0.842 1.433 179 HZ1 LYS 25 HZ1 LYS 25 16.327 3.198 -0.317 180 HZ2 LYS 25 HZ2 LYS 25 16.943 1.721 -0.876 181 HZ3 LYS 25 HZ3 LYS 25 17.799 2.616 0.278 182 H PHE 26 H PHE 26 9.777 1.796 0.577 183 HA PHE 26 HA PHE 26 7.861 0.794 -1.366 184 HB2 PHE 26 HB2 PHE 26 7.822 -1.489 -0.482 185 HB3 PHE 26 HB3 PHE 26 9.400 -1.088 -1.145 186 HD1 PHE 26 HD1 PHE 26 11.341 -0.831 0.317 187 HD2 PHE 26 HD2 PHE 26 7.520 -1.862 1.898 188 HE1 PHE 26 HE1 PHE 26 12.397 -1.505 2.433 189 HE2 PHE 26 HE2 PHE 26 8.575 -2.541 4.012 190 HZ PHE 26 HZ PHE 26 11.018 -2.361 4.281 191 H ILE 27 H ILE 27 5.880 -0.028 -0.436 192 HA ILE 27 HA ILE 27 5.337 0.714 2.376 193 HB ILE 27 HB ILE 27 3.438 1.020 0.023 194 HG12 ILE 27 HG12 ILE 27 4.744 3.135 1.764 195 HG13 ILE 27 HG13 ILE 27 5.153 2.789 0.088 196 HG21 ILE 27 HG21 ILE 27 2.990 1.655 2.944 197 HG22 ILE 27 HG22 ILE 27 2.259 0.325 2.047 198 HG23 ILE 27 HG23 ILE 27 1.863 1.991 1.629 199 HD11 ILE 27 HD11 ILE 27 3.783 4.771 0.248 200 HD12 ILE 27 HD12 ILE 27 2.526 3.865 1.093 201 HD13 ILE 27 HD13 ILE 27 2.902 3.493 -0.590 202 H ARG 28 H ARG 28 5.128 -1.248 3.403 203 HA ARG 28 HA ARG 28 4.148 -3.543 1.872 204 HB2 ARG 28 HB2 ARG 28 6.163 -3.992 3.048 205 HB3 ARG 28 HB3 ARG 28 5.539 -3.295 4.536 206 HG2 ARG 28 HG2 ARG 28 4.043 -5.150 4.856 207 HG3 ARG 28 HG3 ARG 28 4.448 -5.806 3.268 208 HD2 ARG 28 HD2 ARG 28 6.581 -6.470 3.952 209 HD3 ARG 28 HD3 ARG 28 6.573 -5.393 5.350 210 HE ARG 28 HE ARG 28 4.576 -7.072 5.946 211 HH11 ARG 28 HH11 ARG 28 7.772 -7.716 4.828 212 HH12 ARG 28 HH12 ARG 28 7.913 -9.171 5.744 213 HH21 ARG 28 HH21 ARG 28 4.777 -8.924 7.118 214 HH22 ARG 28 HH22 ARG 28 6.230 -9.852 7.021 215 H LEU 29 H LEU 29 2.133 -4.259 1.987 216 HA LEU 29 HA LEU 29 0.373 -3.420 4.172 217 HB2 LEU 29 HB2 LEU 29 -0.142 -4.760 1.521 218 HB3 LEU 29 HB3 LEU 29 -1.386 -4.624 2.749 219 HG LEU 29 HG LEU 29 -1.130 -2.132 2.656 220 HD11 LEU 29 HD11 LEU 29 1.138 -2.014 1.781 221 HD12 LEU 29 HD12 LEU 29 0.015 -1.130 0.750 222 HD13 LEU 29 HD13 LEU 29 0.601 -2.720 0.256 223 HD21 LEU 29 HD21 LEU 29 -2.922 -3.266 1.451 224 HD22 LEU 29 HD22 LEU 29 -1.863 -3.480 0.055 225 HD23 LEU 29 HD23 LEU 29 -2.347 -1.859 0.557 226 H LYS 30 H LYS 30 -1.395 -5.401 4.524 227 HA LYS 30 HA LYS 30 -0.131 -7.941 5.045 228 HB2 LYS 30 HB2 LYS 30 0.845 -6.486 6.803 229 HB3 LYS 30 HB3 LYS 30 -0.774 -6.107 7.372 230 HG2 LYS 30 HG2 LYS 30 -1.103 -8.487 7.940 231 HG3 LYS 30 HG3 LYS 30 0.555 -8.818 7.427 232 HD2 LYS 30 HD2 LYS 30 1.371 -7.212 9.128 233 HD3 LYS 30 HD3 LYS 30 -0.292 -6.965 9.666 234 HE2 LYS 30 HE2 LYS 30 0.830 -8.528 11.135 235 HE3 LYS 30 HE3 LYS 30 -0.439 -9.358 10.236 236 HZ1 LYS 30 HZ1 LYS 30 1.554 -10.684 10.298 237 HZ2 LYS 30 HZ2 LYS 30 2.464 -9.427 9.630 238 HZ3 LYS 30 HZ3 LYS 30 1.266 -10.181 8.712 239 H ASN 31 H ASN 31 -1.746 -9.376 4.729 240 HA ASN 31 HA ASN 31 -4.524 -8.636 5.272 241 HB2 ASN 31 HB2 ASN 31 -4.065 -9.783 3.170 242 HB3 ASN 31 HB3 ASN 31 -3.345 -11.139 4.031 243 HD21 ASN 31 HD21 ASN 31 -4.831 -12.577 3.109 244 HD22 ASN 31 HD22 ASN 31 -6.479 -12.641 3.626 245 H THR 32 H THR 32 -5.240 -8.873 7.299 246 HA THR 32 HA THR 32 -4.097 -10.959 9.026 247 HB THR 32 HB THR 32 -5.259 -9.756 10.880 248 HG1 THR 32 HG1 THR 32 -5.853 -7.463 10.039 249 HG21 THR 32 HG21 THR 32 -3.797 -7.784 10.877 250 HG22 THR 32 HG22 THR 32 -3.477 -8.016 9.158 251 HG23 THR 32 HG23 THR 32 -2.929 -9.216 10.329 252 H SER 33 H SER 33 -6.389 -11.159 6.878 253 HA SER 33 HA SER 33 -8.641 -12.097 8.423 254 HB2 SER 33 HB2 SER 33 -9.105 -11.133 6.262 255 HB3 SER 33 HB3 SER 33 -8.025 -12.274 5.463 256 HG SER 33 HG SER 33 -10.278 -12.839 5.312 257 H GLU 34 H GLU 34 -9.496 -14.237 8.388 258 HA GLU 34 HA GLU 34 -7.548 -16.361 8.579 259 HB2 GLU 34 HB2 GLU 34 -10.574 -16.509 8.631 260 HB3 GLU 34 HB3 GLU 34 -9.466 -17.769 9.156 261 HG2 GLU 34 HG2 GLU 34 -8.754 -16.478 11.027 262 HG3 GLU 34 HG3 GLU 34 -9.594 -15.046 10.433 263 H GLN 35 H GLN 35 -9.295 -14.975 6.045 264 HA GLN 35 HA GLN 35 -9.240 -17.449 4.428 265 HB2 GLN 35 HB2 GLN 35 -11.514 -16.662 4.819 266 HB3 GLN 35 HB3 GLN 35 -11.091 -15.058 4.238 267 HG2 GLN 35 HG2 GLN 35 -10.670 -15.998 2.002 268 HG3 GLN 35 HG3 GLN 35 -11.141 -17.589 2.596 269 HE21 GLN 35 HE21 GLN 35 -12.319 -15.978 0.468 270 HE22 GLN 35 HE22 GLN 35 -13.975 -15.757 0.902 271 H ASP 36 H ASP 36 -8.487 -17.354 2.308 272 HA ASP 36 HA ASP 36 -6.613 -15.306 1.625 273 HB2 ASP 36 HB2 ASP 36 -7.802 -17.401 -0.215 274 HB3 ASP 36 HB3 ASP 36 -6.266 -16.558 -0.407 275 H GLN 37 H GLN 37 -7.223 -13.311 0.997 276 HA GLN 37 HA GLN 37 -9.947 -12.881 0.032 277 HB2 GLN 37 HB2 GLN 37 -7.843 -10.876 0.884 278 HB3 GLN 37 HB3 GLN 37 -9.534 -10.515 0.556 279 HG2 GLN 37 HG2 GLN 37 -8.531 -12.323 2.754 280 HG3 GLN 37 HG3 GLN 37 -9.023 -10.644 2.962 281 HE21 GLN 37 HE21 GLN 37 -11.261 -10.900 1.086 282 HE22 GLN 37 HE22 GLN 37 -12.470 -11.800 1.926 283 HA PRO 38 HA PRO 38 -8.398 -12.260 -4.201 284 HB2 PRO 38 HB2 PRO 38 -10.848 -11.579 -5.242 285 HB3 PRO 38 HB3 PRO 38 -10.307 -13.245 -5.011 286 HG2 PRO 38 HG2 PRO 38 -12.088 -11.576 -3.270 287 HG3 PRO 38 HG3 PRO 38 -12.258 -13.278 -3.740 288 HD2 PRO 38 HD2 PRO 38 -11.304 -12.555 -1.322 289 HD3 PRO 38 HD3 PRO 38 -10.705 -13.996 -2.170 290 H MET 39 H MET 39 -7.642 -10.405 -5.147 291 HA MET 39 HA MET 39 -7.670 -8.009 -3.703 292 HB2 MET 39 HB2 MET 39 -5.902 -8.712 -5.302 293 HB3 MET 39 HB3 MET 39 -6.993 -8.351 -6.631 294 HG2 MET 39 HG2 MET 39 -5.621 -6.482 -6.512 295 HG3 MET 39 HG3 MET 39 -7.083 -5.974 -5.674 296 HE1 MET 39 HE1 MET 39 -5.993 -5.652 -1.987 297 HE2 MET 39 HE2 MET 39 -7.017 -6.868 -2.749 298 HE3 MET 39 HE3 MET 39 -7.160 -5.174 -3.218 299 H GLY 40 H GLY 40 -9.562 -8.924 -6.575 300 HA2 GLY 40 HA2 GLY 40 -11.581 -8.117 -7.346 301 HA3 GLY 40 HA3 GLY 40 -11.696 -7.146 -5.889 302 H GLY 41 H GLY 41 -10.090 -5.199 -5.908 303 HA2 GLY 41 HA2 GLY 41 -8.890 -3.952 -7.931 304 HA3 GLY 41 HA3 GLY 41 -10.570 -3.740 -8.399 305 H TRP 42 H TRP 42 -8.232 -3.076 -5.828 306 HA TRP 42 HA TRP 42 -9.972 -0.967 -4.738 307 HB2 TRP 42 HB2 TRP 42 -7.367 -2.082 -3.651 308 HB3 TRP 42 HB3 TRP 42 -8.395 -0.906 -2.845 309 HD1 TRP 42 HD1 TRP 42 -10.628 -3.443 -4.300 310 HE1 TRP 42 HE1 TRP 42 -11.306 -5.182 -2.530 311 HE3 TRP 42 HE3 TRP 42 -7.196 -2.308 -0.677 312 HZ2 TRP 42 HZ2 TRP 42 -10.499 -5.970 0.051 313 HZ3 TRP 42 HZ3 TRP 42 -7.217 -3.603 1.416 314 HH2 TRP 42 HH2 TRP 42 -8.839 -5.401 1.771 315 H GLU 43 H GLU 43 -8.562 0.998 -3.863 316 HA GLU 43 HA GLU 43 -6.190 1.550 -5.432 317 HB2 GLU 43 HB2 GLU 43 -8.014 2.419 -6.875 318 HB3 GLU 43 HB3 GLU 43 -8.521 3.481 -5.567 319 HG2 GLU 43 HG2 GLU 43 -6.493 4.722 -5.671 320 HG3 GLU 43 HG3 GLU 43 -5.760 3.554 -6.766 321 H MET 44 H MET 44 -4.723 2.611 -4.297 322 HA MET 44 HA MET 44 -5.463 3.573 -1.626 323 HB2 MET 44 HB2 MET 44 -3.753 1.833 -1.740 324 HB3 MET 44 HB3 MET 44 -2.780 2.826 -2.814 325 HG2 MET 44 HG2 MET 44 -2.376 4.421 -1.064 326 HG3 MET 44 HG3 MET 44 -3.493 3.580 0.012 327 HE1 MET 44 HE1 MET 44 -0.916 1.837 -2.438 328 HE2 MET 44 HE2 MET 44 0.512 1.757 -1.407 329 HE3 MET 44 HE3 MET 44 -0.097 3.321 -1.951 330 H ILE 45 H ILE 45 -5.839 5.699 -1.484 331 HA ILE 45 HA ILE 45 -4.528 7.584 -3.300 332 HB ILE 45 HB ILE 45 -6.709 8.004 -1.232 333 HG12 ILE 45 HG12 ILE 45 -8.060 8.583 -3.318 334 HG13 ILE 45 HG13 ILE 45 -6.727 7.939 -4.265 335 HG21 ILE 45 HG21 ILE 45 -6.910 10.293 -2.104 336 HG22 ILE 45 HG22 ILE 45 -5.491 10.025 -3.118 337 HG23 ILE 45 HG23 ILE 45 -5.335 10.007 -1.361 338 HD11 ILE 45 HD11 ILE 45 -8.366 6.397 -2.263 339 HD12 ILE 45 HD12 ILE 45 -7.053 5.750 -3.247 340 HD13 ILE 45 HD13 ILE 45 -8.532 6.326 -4.017 341 H ARG 46 H ARG 46 -3.113 9.230 -2.628 342 HA ARG 46 HA ARG 46 -2.227 9.163 0.180 343 HB2 ARG 46 HB2 ARG 46 -0.857 7.618 -1.273 344 HB3 ARG 46 HB3 ARG 46 -0.324 9.034 -2.167 345 HG2 ARG 46 HG2 ARG 46 0.664 9.943 -0.107 346 HG3 ARG 46 HG3 ARG 46 0.157 8.489 0.759 347 HD2 ARG 46 HD2 ARG 46 1.489 7.157 -0.907 348 HD3 ARG 46 HD3 ARG 46 2.127 8.685 -1.516 349 HE ARG 46 HE ARG 46 2.533 8.575 1.253 350 HH11 ARG 46 HH11 ARG 46 3.645 7.129 -1.663 351 HH12 ARG 46 HH12 ARG 46 5.166 6.671 -0.987 352 HH21 ARG 46 HH21 ARG 46 4.508 8.008 2.116 353 HH22 ARG 46 HH22 ARG 46 5.660 7.181 1.132 354 H LYS 47 H LYS 47 -1.962 11.159 1.001 355 HA LYS 47 HA LYS 47 -1.700 13.438 -0.874 356 HB2 LYS 47 HB2 LYS 47 -2.859 13.422 1.924 357 HB3 LYS 47 HB3 LYS 47 -2.758 14.819 0.861 358 HG2 LYS 47 HG2 LYS 47 -4.272 13.682 -0.729 359 HG3 LYS 47 HG3 LYS 47 -4.415 12.338 0.406 360 HD2 LYS 47 HD2 LYS 47 -5.238 15.206 0.902 361 HD3 LYS 47 HD3 LYS 47 -6.321 13.839 0.633 362 HE2 LYS 47 HE2 LYS 47 -5.553 12.793 2.694 363 HE3 LYS 47 HE3 LYS 47 -4.390 14.096 2.951 364 HZ1 LYS 47 HZ1 LYS 47 -7.350 14.314 2.987 365 HZ2 LYS 47 HZ2 LYS 47 -6.301 15.640 3.057 366 HZ3 LYS 47 HZ3 LYS 47 -6.294 14.491 4.294 367 H ILE 48 H ILE 48 -0.198 15.063 -0.442 368 HA ILE 48 HA ILE 48 1.610 14.686 1.852 369 HB ILE 48 HB ILE 48 2.720 13.618 -0.021 370 HG12 ILE 48 HG12 ILE 48 4.001 16.313 0.532 371 HG13 ILE 48 HG13 ILE 48 4.079 14.923 1.609 372 HG21 ILE 48 HG21 ILE 48 3.336 14.838 -2.054 373 HG22 ILE 48 HG22 ILE 48 2.442 16.246 -1.484 374 HG23 ILE 48 HG23 ILE 48 1.585 14.751 -1.857 375 HD11 ILE 48 HD11 ILE 48 5.213 15.073 -1.178 376 HD12 ILE 48 HD12 ILE 48 5.280 13.668 -0.112 377 HD13 ILE 48 HD13 ILE 48 6.119 15.153 0.332 378 H GLY 49 H GLY 49 0.516 16.854 -0.738 379 HA2 GLY 49 HA2 GLY 49 0.116 19.113 0.759 380 HA3 GLY 49 HA3 GLY 49 1.822 19.179 0.340 381 H ASP 50 H ASP 50 -1.356 19.767 -0.687 382 HA ASP 50 HA ASP 50 -2.235 20.852 -2.467 383 HB2 ASP 50 HB2 ASP 50 0.620 21.147 -3.422 384 HB3 ASP 50 HB3 ASP 50 -0.775 21.977 -4.110 385 H THR 51 H THR 51 0.150 18.373 -3.284 386 HA THR 51 HA THR 51 -1.586 17.502 -5.508 387 HB THR 51 HB THR 51 0.644 18.054 -6.305 388 HG1 THR 51 HG1 THR 51 1.245 15.681 -6.872 389 HG21 THR 51 HG21 THR 51 2.634 16.839 -5.528 390 HG22 THR 51 HG22 THR 51 1.658 16.017 -4.308 391 HG23 THR 51 HG23 THR 51 1.897 17.762 -4.218 392 H SER 52 H SER 52 -2.102 15.305 -5.709 393 HA SER 52 HA SER 52 -1.374 13.507 -3.499 394 HB2 SER 52 HB2 SER 52 -3.695 12.722 -3.272 395 HB3 SER 52 HB3 SER 52 -3.592 14.448 -2.937 396 HG SER 52 HG SER 52 -4.138 14.570 -5.353 397 H VAL 53 H VAL 53 -1.254 11.336 -4.038 398 HA VAL 53 HA VAL 53 -1.710 10.643 -6.872 399 HB VAL 53 HB VAL 53 0.686 11.008 -6.533 400 HG11 VAL 53 HG11 VAL 53 0.493 8.878 -4.399 401 HG12 VAL 53 HG12 VAL 53 0.833 10.589 -4.145 402 HG13 VAL 53 HG13 VAL 53 1.992 9.581 -5.011 403 HG21 VAL 53 HG21 VAL 53 -0.021 9.272 -8.115 404 HG22 VAL 53 HG22 VAL 53 0.043 8.067 -6.829 405 HG23 VAL 53 HG23 VAL 53 1.522 8.866 -7.365 406 H SER 54 H SER 54 -2.338 8.478 -7.297 407 HA SER 54 HA SER 54 -2.970 6.832 -4.932 408 HB2 SER 54 HB2 SER 54 -5.166 6.279 -5.849 409 HB3 SER 54 HB3 SER 54 -5.015 8.023 -5.646 410 HG SER 54 HG SER 54 -5.902 7.117 -7.720 411 H TYR 55 H TYR 55 -3.065 4.578 -5.252 412 HA TYR 55 HA TYR 55 -1.933 3.616 -7.812 413 HB2 TYR 55 HB2 TYR 55 -0.296 3.564 -5.927 414 HB3 TYR 55 HB3 TYR 55 -1.373 2.475 -5.060 415 HD1 TYR 55 HD1 TYR 55 -0.001 2.663 -8.552 416 HD2 TYR 55 HD2 TYR 55 -0.629 0.276 -5.076 417 HE1 TYR 55 HE1 TYR 55 1.078 0.760 -9.669 418 HE2 TYR 55 HE2 TYR 55 0.449 -1.634 -6.191 419 HH TYR 55 HH TYR 55 2.218 -1.295 -9.095 420 H LYS 56 H LYS 56 -3.228 2.262 -8.864 421 HA LYS 56 HA LYS 56 -5.571 1.150 -7.561 422 HB2 LYS 56 HB2 LYS 56 -5.694 2.238 -9.792 423 HB3 LYS 56 HB3 LYS 56 -4.677 0.962 -10.448 424 HG2 LYS 56 HG2 LYS 56 -6.397 -0.694 -9.945 425 HG3 LYS 56 HG3 LYS 56 -7.413 0.563 -9.231 426 HD2 LYS 56 HD2 LYS 56 -6.507 0.429 -12.116 427 HD3 LYS 56 HD3 LYS 56 -8.125 0.048 -11.521 428 HE2 LYS 56 HE2 LYS 56 -8.431 2.349 -10.799 429 HE3 LYS 56 HE3 LYS 56 -6.780 2.744 -11.276 430 HZ1 LYS 56 HZ1 LYS 56 -7.359 2.269 -13.569 431 HZ2 LYS 56 HZ2 LYS 56 -8.380 3.458 -12.934 432 HZ3 LYS 56 HZ3 LYS 56 -8.942 1.876 -13.120 433 H TYR 57 H TYR 57 -5.826 -0.902 -6.917 434 HA TYR 57 HA TYR 57 -3.629 -2.788 -7.247 435 HB2 TYR 57 HB2 TYR 57 -6.145 -2.862 -5.568 436 HB3 TYR 57 HB3 TYR 57 -4.973 -4.175 -5.620 437 HD1 TYR 57 HD1 TYR 57 -5.462 -0.636 -4.627 438 HD2 TYR 57 HD2 TYR 57 -2.925 -4.049 -4.398 439 HE1 TYR 57 HE1 TYR 57 -4.135 0.469 -2.875 440 HE2 TYR 57 HE2 TYR 57 -1.593 -2.951 -2.649 441 HH TYR 57 HH TYR 57 -2.618 -0.146 -1.030 442 H THR 58 H THR 58 -3.601 -4.343 -8.726 443 HA THR 58 HA THR 58 -5.869 -4.749 -10.477 444 HB THR 58 HB THR 58 -3.793 -4.662 -11.603 445 HG1 THR 58 HG1 THR 58 -4.113 -6.392 -12.815 446 HG21 THR 58 HG21 THR 58 -2.795 -6.848 -9.763 447 HG22 THR 58 HG22 THR 58 -2.314 -5.151 -9.710 448 HG23 THR 58 HG23 THR 58 -1.898 -6.141 -11.108 449 H SER 59 H SER 59 -7.085 -6.580 -10.762 450 HA SER 59 HA SER 59 -7.225 -8.399 -8.492 451 HB2 SER 59 HB2 SER 59 -9.330 -9.157 -9.482 452 HB3 SER 59 HB3 SER 59 -9.287 -7.396 -9.435 453 HG SER 59 HG SER 59 -9.111 -9.135 -11.633 454 H ARG 60 H ARG 60 -5.064 -8.576 -10.693 455 HA ARG 60 HA ARG 60 -5.597 -10.930 -12.193 456 HB2 ARG 60 HB2 ARG 60 -3.227 -10.853 -12.817 457 HB3 ARG 60 HB3 ARG 60 -3.988 -9.275 -12.958 458 HG2 ARG 60 HG2 ARG 60 -3.015 -8.670 -10.750 459 HG3 ARG 60 HG3 ARG 60 -2.149 -10.205 -10.762 460 HD2 ARG 60 HD2 ARG 60 -1.895 -8.044 -12.855 461 HD3 ARG 60 HD3 ARG 60 -0.760 -8.316 -11.535 462 HE ARG 60 HE ARG 60 -0.616 -10.664 -12.653 463 HH11 ARG 60 HH11 ARG 60 -0.969 -7.663 -14.320 464 HH12 ARG 60 HH12 ARG 60 -0.015 -8.187 -15.667 465 HH21 ARG 60 HH21 ARG 60 0.599 -11.306 -14.396 466 HH22 ARG 60 HH22 ARG 60 0.855 -10.203 -15.706 467 H TYR 61 H TYR 61 -4.845 -10.620 -8.903 468 HA TYR 61 HA TYR 61 -4.526 -13.494 -8.708 469 HB2 TYR 61 HB2 TYR 61 -2.483 -13.464 -7.396 470 HB3 TYR 61 HB3 TYR 61 -2.194 -12.700 -8.953 471 HD1 TYR 61 HD1 TYR 61 -1.880 -10.241 -9.092 472 HD2 TYR 61 HD2 TYR 61 -2.284 -12.224 -5.343 473 HE1 TYR 61 HE1 TYR 61 -0.958 -8.267 -7.953 474 HE2 TYR 61 HE2 TYR 61 -1.367 -10.252 -4.196 475 HH TYR 61 HH TYR 61 0.030 -8.311 -4.691 476 H VAL 62 H VAL 62 -4.453 -14.223 -6.393 477 HA VAL 62 HA VAL 62 -6.346 -12.652 -4.796 478 HB VAL 62 HB VAL 62 -6.949 -14.981 -5.242 479 HG11 VAL 62 HG11 VAL 62 -4.700 -15.913 -5.493 480 HG12 VAL 62 HG12 VAL 62 -5.645 -16.843 -4.332 481 HG13 VAL 62 HG13 VAL 62 -4.415 -15.714 -3.764 482 HG21 VAL 62 HG21 VAL 62 -7.362 -15.730 -2.930 483 HG22 VAL 62 HG22 VAL 62 -7.711 -14.014 -3.137 484 HG23 VAL 62 HG23 VAL 62 -6.221 -14.520 -2.341 485 H LEU 63 H LEU 63 -5.893 -11.888 -2.757 486 HA LEU 63 HA LEU 63 -3.111 -12.010 -1.852 487 HB2 LEU 63 HB2 LEU 63 -4.721 -9.897 -1.977 488 HB3 LEU 63 HB3 LEU 63 -5.243 -10.471 -0.408 489 HG LEU 63 HG LEU 63 -3.546 -8.722 -0.199 490 HD11 LEU 63 HD11 LEU 63 -3.646 -10.472 1.526 491 HD12 LEU 63 HD12 LEU 63 -2.017 -9.832 1.317 492 HD13 LEU 63 HD13 LEU 63 -2.439 -11.403 0.636 493 HD21 LEU 63 HD21 LEU 63 -2.366 -9.108 -2.302 494 HD22 LEU 63 HD22 LEU 63 -1.720 -10.623 -1.668 495 HD23 LEU 63 HD23 LEU 63 -1.252 -9.087 -0.936 496 H LYS 64 H LYS 64 -2.713 -13.864 -0.786 497 HA LYS 64 HA LYS 64 -4.748 -15.396 0.470 498 HB2 LYS 64 HB2 LYS 64 -1.743 -15.727 0.506 499 HB3 LYS 64 HB3 LYS 64 -2.891 -16.917 1.107 500 HG2 LYS 64 HG2 LYS 64 -3.885 -17.009 -1.189 501 HG3 LYS 64 HG3 LYS 64 -2.564 -15.978 -1.737 502 HD2 LYS 64 HD2 LYS 64 -1.874 -18.166 -2.250 503 HD3 LYS 64 HD3 LYS 64 -0.993 -17.751 -0.781 504 HE2 LYS 64 HE2 LYS 64 -3.538 -19.386 -0.883 505 HE3 LYS 64 HE3 LYS 64 -1.916 -20.052 -0.741 506 HZ1 LYS 64 HZ1 LYS 64 -2.867 -19.988 1.410 507 HZ2 LYS 64 HZ2 LYS 64 -3.351 -18.377 1.243 508 HZ3 LYS 64 HZ3 LYS 64 -1.707 -18.759 1.365 509 H ALA 65 H ALA 65 -4.614 -16.297 2.675 510 HA ALA 65 HA ALA 65 -4.658 -14.255 4.639 511 HB1 ALA 65 HB1 ALA 65 -4.624 -17.254 5.021 512 HB2 ALA 65 HB2 ALA 65 -6.060 -16.260 4.771 513 HB3 ALA 65 HB3 ALA 65 -5.091 -16.058 6.231 514 H GLY 66 H GLY 66 -3.038 -13.383 5.794 515 HA2 GLY 66 HA2 GLY 66 -1.043 -13.274 6.994 516 HA3 GLY 66 HA3 GLY 66 -0.710 -14.939 6.555 517 H GLN 67 H GLN 67 -1.484 -13.208 3.795 518 HA GLN 67 HA GLN 67 1.314 -13.105 2.980 519 HB2 GLN 67 HB2 GLN 67 -0.315 -14.127 1.457 520 HB3 GLN 67 HB3 GLN 67 -1.227 -12.627 1.403 521 HG2 GLN 67 HG2 GLN 67 -0.040 -12.589 -0.582 522 HG3 GLN 67 HG3 GLN 67 0.939 -11.580 0.478 523 HE21 GLN 67 HE21 GLN 67 2.037 -13.971 1.899 524 HE22 GLN 67 HE22 GLN 67 3.179 -14.648 0.803 525 H THR 68 H THR 68 2.479 -11.289 2.677 526 HA THR 68 HA THR 68 1.132 -8.683 3.084 527 HB THR 68 HB THR 68 3.290 -7.837 3.950 528 HG1 THR 68 HG1 THR 68 4.667 -9.366 2.894 529 HG21 THR 68 HG21 THR 68 1.631 -8.656 5.542 530 HG22 THR 68 HG22 THR 68 3.259 -9.036 6.104 531 HG23 THR 68 HG23 THR 68 2.260 -10.296 5.380 532 H VAL 69 H VAL 69 0.821 -7.963 1.006 533 HA VAL 69 HA VAL 69 2.835 -8.193 -1.036 534 HB VAL 69 HB VAL 69 0.478 -8.169 -1.674 535 HG11 VAL 69 HG11 VAL 69 0.417 -5.324 -0.649 536 HG12 VAL 69 HG12 VAL 69 -0.392 -6.707 0.091 537 HG13 VAL 69 HG13 VAL 69 -0.892 -6.143 -1.503 538 HG21 VAL 69 HG21 VAL 69 0.577 -6.491 -3.473 539 HG22 VAL 69 HG22 VAL 69 2.096 -7.374 -3.315 540 HG23 VAL 69 HG23 VAL 69 1.960 -5.734 -2.681 541 H THR 70 H THR 70 4.407 -6.767 -1.586 542 HA THR 70 HA THR 70 4.643 -4.315 0.035 543 HB THR 70 HB THR 70 6.759 -5.672 -1.659 544 HG1 THR 70 HG1 THR 70 6.377 -7.013 0.052 545 HG21 THR 70 HG21 THR 70 8.320 -4.249 -0.378 546 HG22 THR 70 HG22 THR 70 6.943 -3.448 0.382 547 HG23 THR 70 HG23 THR 70 7.200 -3.302 -1.357 548 H ILE 71 H ILE 71 4.207 -2.403 -0.858 549 HA ILE 71 HA ILE 71 3.987 -2.110 -3.746 550 HB ILE 71 HB ILE 71 3.512 -0.029 -1.600 551 HG12 ILE 71 HG12 ILE 71 2.015 -1.932 -1.253 552 HG13 ILE 71 HG13 ILE 71 1.107 -0.554 -1.860 553 HG21 ILE 71 HG21 ILE 71 3.882 0.937 -3.798 554 HG22 ILE 71 HG22 ILE 71 2.192 1.115 -3.328 555 HG23 ILE 71 HG23 ILE 71 2.656 -0.125 -4.493 556 HD11 ILE 71 HD11 ILE 71 1.101 -1.554 -4.093 557 HD12 ILE 71 HD12 ILE 71 0.366 -2.612 -2.890 558 HD13 ILE 71 HD13 ILE 71 2.000 -2.938 -3.468 559 H TRP 72 H TRP 72 6.039 -2.057 -4.612 560 HA TRP 72 HA TRP 72 8.151 -0.475 -3.404 561 HB2 TRP 72 HB2 TRP 72 8.084 -2.071 -5.980 562 HB3 TRP 72 HB3 TRP 72 9.518 -1.284 -5.330 563 HD1 TRP 72 HD1 TRP 72 7.361 -4.376 -4.922 564 HE1 TRP 72 HE1 TRP 72 8.496 -5.982 -3.261 565 HE3 TRP 72 HE3 TRP 72 11.061 -1.293 -3.208 566 HZ2 TRP 72 HZ2 TRP 72 10.666 -5.947 -1.466 567 HZ3 TRP 72 HZ3 TRP 72 12.629 -2.155 -1.518 568 HH2 TRP 72 HH2 TRP 72 12.435 -4.437 -0.665 569 H ALA 73 H ALA 73 8.834 1.530 -4.022 570 HA ALA 73 HA ALA 73 7.228 3.174 -5.653 571 HB1 ALA 73 HB1 ALA 73 8.638 4.035 -3.836 572 HB2 ALA 73 HB2 ALA 73 8.945 4.873 -5.358 573 HB3 ALA 73 HB3 ALA 73 10.079 3.652 -4.778 574 H ALA 74 H ALA 74 7.979 4.407 -7.581 575 HA ALA 74 HA ALA 74 8.461 2.792 -9.765 576 HB1 ALA 74 HB1 ALA 74 9.106 5.733 -9.544 577 HB2 ALA 74 HB2 ALA 74 7.526 5.042 -9.919 578 HB3 ALA 74 HB3 ALA 74 8.870 4.828 -11.039 579 H ASN 75 H ASN 75 10.827 3.999 -7.551 580 HA ASN 75 HA ASN 75 13.070 3.641 -9.376 581 HB2 ASN 75 HB2 ASN 75 12.872 4.485 -6.484 582 HB3 ASN 75 HB3 ASN 75 14.417 4.214 -7.284 583 HD21 ASN 75 HD21 ASN 75 11.692 5.527 -9.015 584 HD22 ASN 75 HD22 ASN 75 12.325 7.123 -9.168 585 H ALA 76 H ALA 76 11.239 1.379 -8.184 586 HA ALA 76 HA ALA 76 12.869 -0.369 -6.715 587 HB1 ALA 76 HB1 ALA 76 10.727 -1.084 -8.721 588 HB2 ALA 76 HB2 ALA 76 10.454 -0.691 -7.023 589 HB3 ALA 76 HB3 ALA 76 11.365 -2.138 -7.458 590 H GLY 77 H GLY 77 12.654 0.209 -10.196 591 HA2 GLY 77 HA2 GLY 77 14.292 -0.151 -11.803 592 HA3 GLY 77 HA3 GLY 77 15.273 -0.953 -10.592 593 H VAL 78 H VAL 78 12.989 -2.792 -9.939 594 HA VAL 78 HA VAL 78 13.693 -4.908 -11.687 595 HB VAL 78 HB VAL 78 12.029 -6.240 -10.485 596 HG11 VAL 78 HG11 VAL 78 12.926 -5.954 -8.196 597 HG12 VAL 78 HG12 VAL 78 13.645 -4.422 -8.690 598 HG13 VAL 78 HG13 VAL 78 14.186 -5.930 -9.428 599 HG21 VAL 78 HG21 VAL 78 10.614 -5.243 -8.749 600 HG22 VAL 78 HG22 VAL 78 10.252 -4.555 -10.331 601 HG23 VAL 78 HG23 VAL 78 11.211 -3.637 -9.170 602 H THR 79 H THR 79 12.099 -6.242 -12.923 603 HA THR 79 HA THR 79 10.594 -4.577 -14.736 604 HB THR 79 HB THR 79 11.788 -6.483 -15.657 605 HG1 THR 79 HG1 THR 79 10.124 -7.217 -16.951 606 HG21 THR 79 HG21 THR 79 11.089 -8.792 -15.209 607 HG22 THR 79 HG22 THR 79 9.926 -8.213 -14.015 608 HG23 THR 79 HG23 THR 79 11.655 -8.009 -13.732 609 H ALA 80 H ALA 80 8.377 -4.530 -15.071 610 HA ALA 80 HA ALA 80 6.765 -5.036 -12.740 611 HB1 ALA 80 HB1 ALA 80 4.963 -3.974 -13.984 612 HB2 ALA 80 HB2 ALA 80 5.920 -4.036 -15.465 613 HB3 ALA 80 HB3 ALA 80 6.443 -3.023 -14.120 614 H SER 81 H SER 81 7.057 -7.389 -12.690 615 HA SER 81 HA SER 81 5.050 -8.749 -14.368 616 HB2 SER 81 HB2 SER 81 7.289 -9.214 -15.333 617 HB3 SER 81 HB3 SER 81 7.804 -9.888 -13.786 618 HG SER 81 HG SER 81 6.504 -11.605 -14.079 619 HA PRO 82 HA PRO 82 4.126 -10.026 -10.036 620 HB2 PRO 82 HB2 PRO 82 1.385 -10.206 -11.118 621 HB3 PRO 82 HB3 PRO 82 1.989 -9.250 -9.763 622 HG2 PRO 82 HG2 PRO 82 1.216 -8.093 -12.063 623 HG3 PRO 82 HG3 PRO 82 2.574 -7.459 -11.111 624 HD2 PRO 82 HD2 PRO 82 2.640 -9.215 -13.558 625 HD3 PRO 82 HD3 PRO 82 3.595 -7.756 -13.197 626 HA PRO 83 HA PRO 83 2.194 -11.027 -8.885 627 HB2 PRO 83 HB2 PRO 83 1.096 -13.100 -7.606 628 HB3 PRO 83 HB3 PRO 83 0.385 -12.451 -9.087 629 HG2 PRO 83 HG2 PRO 83 1.849 -14.984 -8.662 630 HG3 PRO 83 HG3 PRO 83 0.672 -14.562 -9.916 631 HD2 PRO 83 HD2 PRO 83 3.571 -14.517 -10.070 632 HD3 PRO 83 HD3 PRO 83 2.391 -14.210 -11.361 633 H THR 84 H THR 84 3.716 -10.344 -7.489 634 HA THR 84 HA THR 84 4.502 -12.120 -5.348 635 HB THR 84 HB THR 84 6.459 -12.516 -6.643 636 HG1 THR 84 HG1 THR 84 7.331 -10.367 -5.003 637 HG21 THR 84 HG21 THR 84 6.218 -10.721 -8.295 638 HG22 THR 84 HG22 THR 84 7.848 -10.741 -7.621 639 HG23 THR 84 HG23 THR 84 6.685 -9.529 -7.082 640 H ASP 85 H ASP 85 5.248 -8.908 -6.683 641 HA ASP 85 HA ASP 85 3.997 -7.658 -4.353 642 HB2 ASP 85 HB2 ASP 85 6.740 -6.909 -5.414 643 HB3 ASP 85 HB3 ASP 85 5.851 -6.025 -4.178 644 H LEU 86 H LEU 86 3.980 -5.115 -4.857 645 HA LEU 86 HA LEU 86 3.264 -4.786 -7.709 646 HB2 LEU 86 HB2 LEU 86 1.855 -3.640 -5.295 647 HB3 LEU 86 HB3 LEU 86 1.504 -3.188 -6.952 648 HG LEU 86 HG LEU 86 1.134 -5.951 -5.771 649 HD11 LEU 86 HD11 LEU 86 -0.913 -3.876 -6.559 650 HD12 LEU 86 HD12 LEU 86 -0.487 -4.338 -4.911 651 HD13 LEU 86 HD13 LEU 86 -1.251 -5.511 -5.983 652 HD21 LEU 86 HD21 LEU 86 0.448 -4.883 -8.514 653 HD22 LEU 86 HD22 LEU 86 0.006 -6.473 -7.890 654 HD23 LEU 86 HD23 LEU 86 1.703 -6.064 -8.136 655 H ILE 87 H ILE 87 4.356 -3.213 -8.724 656 HA ILE 87 HA ILE 87 5.990 -1.395 -7.115 657 HB ILE 87 HB ILE 87 6.074 -1.916 -10.102 658 HG12 ILE 87 HG12 ILE 87 8.338 -2.951 -9.469 659 HG13 ILE 87 HG13 ILE 87 7.778 -2.917 -7.803 660 HG21 ILE 87 HG21 ILE 87 8.191 -0.658 -10.055 661 HG22 ILE 87 HG22 ILE 87 7.925 -0.290 -8.351 662 HG23 ILE 87 HG23 ILE 87 6.821 0.344 -9.572 663 HD11 ILE 87 HD11 ILE 87 5.909 -4.378 -8.415 664 HD12 ILE 87 HD12 ILE 87 7.475 -5.108 -8.763 665 HD13 ILE 87 HD13 ILE 87 6.508 -4.433 -10.073 666 H TRP 88 H TRP 88 5.072 0.470 -6.573 667 HA TRP 88 HA TRP 88 2.969 1.743 -8.021 668 HB2 TRP 88 HB2 TRP 88 3.476 1.910 -5.516 669 HB3 TRP 88 HB3 TRP 88 4.751 3.039 -5.946 670 HD1 TRP 88 HD1 TRP 88 2.442 4.157 -8.331 671 HE1 TRP 88 HE1 TRP 88 0.832 5.960 -7.455 672 HE3 TRP 88 HE3 TRP 88 3.076 3.456 -3.302 673 HZ2 TRP 88 HZ2 TRP 88 -0.053 6.952 -4.978 674 HZ3 TRP 88 HZ3 TRP 88 1.807 4.879 -1.751 675 HH2 TRP 88 HH2 TRP 88 0.276 6.592 -2.575 676 H LYS 89 H LYS 89 4.035 1.795 -10.140 677 HA LYS 89 HA LYS 89 6.293 3.522 -10.563 678 HB2 LYS 89 HB2 LYS 89 4.362 2.287 -12.543 679 HB3 LYS 89 HB3 LYS 89 5.860 3.106 -12.969 680 HG2 LYS 89 HG2 LYS 89 7.139 1.425 -11.737 681 HG3 LYS 89 HG3 LYS 89 5.643 0.611 -11.289 682 HD2 LYS 89 HD2 LYS 89 6.545 -0.615 -13.105 683 HD3 LYS 89 HD3 LYS 89 5.199 0.312 -13.762 684 HE2 LYS 89 HE2 LYS 89 8.049 1.279 -13.914 685 HE3 LYS 89 HE3 LYS 89 7.343 0.234 -15.141 686 HZ1 LYS 89 HZ1 LYS 89 5.662 1.911 -15.559 687 HZ2 LYS 89 HZ2 LYS 89 7.209 2.557 -15.769 688 HZ3 LYS 89 HZ3 LYS 89 6.326 2.919 -14.379 689 H ASN 90 H ASN 90 3.238 4.279 -9.753 690 HA ASN 90 HA ASN 90 2.942 6.608 -11.492 691 HB2 ASN 90 HB2 ASN 90 1.151 5.564 -9.281 692 HB3 ASN 90 HB3 ASN 90 0.766 6.895 -10.367 693 HD21 ASN 90 HD21 ASN 90 0.246 6.462 -12.494 694 HD22 ASN 90 HD22 ASN 90 -0.137 4.872 -13.045 695 H GLN 91 H GLN 91 4.544 5.929 -8.628 696 HA GLN 91 HA GLN 91 4.702 8.808 -8.049 697 HB2 GLN 91 HB2 GLN 91 3.198 7.679 -6.351 698 HB3 GLN 91 HB3 GLN 91 4.598 6.740 -5.836 699 HG2 GLN 91 HG2 GLN 91 5.757 8.987 -5.468 700 HG3 GLN 91 HG3 GLN 91 4.159 9.708 -5.625 701 HE21 GLN 91 HE21 GLN 91 5.939 9.741 -3.377 702 HE22 GLN 91 HE22 GLN 91 5.089 9.015 -2.061 703 H ASN 92 H ASN 92 6.685 9.540 -7.293 704 HA ASN 92 HA ASN 92 8.960 7.748 -7.679 705 HB2 ASN 92 HB2 ASN 92 8.893 10.726 -7.103 706 HB3 ASN 92 HB3 ASN 92 10.308 9.793 -7.587 707 HD21 ASN 92 HD21 ASN 92 10.468 9.080 -9.726 708 HD22 ASN 92 HD22 ASN 92 9.489 9.736 -10.987 709 H SER 93 H SER 93 10.879 8.589 -5.981 710 HA SER 93 HA SER 93 10.186 7.379 -3.517 711 HB2 SER 93 HB2 SER 93 12.429 8.002 -2.756 712 HB3 SER 93 HB3 SER 93 12.500 7.391 -4.408 713 HG SER 93 HG SER 93 13.147 9.282 -5.085 714 H TRP 94 H TRP 94 9.121 8.200 -1.834 715 HA TRP 94 HA TRP 94 8.410 10.981 -1.763 716 HB2 TRP 94 HB2 TRP 94 7.120 10.321 0.302 717 HB3 TRP 94 HB3 TRP 94 6.693 9.453 -1.165 718 HD1 TRP 94 HD1 TRP 94 8.111 8.901 2.327 719 HE1 TRP 94 HE1 TRP 94 8.268 6.367 2.782 720 HE3 TRP 94 HE3 TRP 94 7.116 7.174 -2.387 721 HZ2 TRP 94 HZ2 TRP 94 8.003 3.963 1.327 722 HZ3 TRP 94 HZ3 TRP 94 7.089 4.745 -2.768 723 HH2 TRP 94 HH2 TRP 94 7.524 3.175 -0.951 724 H GLY 95 H GLY 95 9.576 12.532 -0.892 725 HA2 GLY 95 HA2 GLY 95 10.509 12.623 1.734 726 HA3 GLY 95 HA3 GLY 95 11.863 12.102 0.739 727 H THR 96 H THR 96 10.027 14.771 1.828 728 HA THR 96 HA THR 96 11.756 16.647 0.449 729 HB THR 96 HB THR 96 10.000 16.198 -1.255 730 HG1 THR 96 HG1 THR 96 10.217 18.783 -0.092 731 HG21 THR 96 HG21 THR 96 8.116 17.378 0.797 732 HG22 THR 96 HG22 THR 96 8.113 15.713 0.213 733 HG23 THR 96 HG23 THR 96 7.710 17.034 -0.884 734 H GLY 97 H GLY 97 10.998 15.923 3.234 735 HA2 GLY 97 HA2 GLY 97 10.822 17.115 5.218 736 HA3 GLY 97 HA3 GLY 97 10.596 18.584 4.282 737 H GLU 98 H GLU 98 8.346 18.281 2.923 738 HA GLU 98 HA GLU 98 6.255 18.534 4.788 739 HB2 GLU 98 HB2 GLU 98 6.060 17.975 1.814 740 HB3 GLU 98 HB3 GLU 98 4.765 18.594 2.829 741 HG2 GLU 98 HG2 GLU 98 7.375 20.025 2.355 742 HG3 GLU 98 HG3 GLU 98 5.902 20.317 1.435 743 H ASP 99 H ASP 99 5.181 17.018 5.885 744 HA ASP 99 HA ASP 99 5.701 14.271 5.602 745 HB2 ASP 99 HB2 ASP 99 5.111 15.304 7.735 746 HB3 ASP 99 HB3 ASP 99 3.498 15.672 7.131 747 H VAL 100 H VAL 100 4.400 12.539 4.986 748 HA VAL 100 HA VAL 100 2.153 13.174 3.180 749 HB VAL 100 HB VAL 100 4.134 12.721 1.823 750 HG11 VAL 100 HG11 VAL 100 5.230 10.517 1.856 751 HG12 VAL 100 HG12 VAL 100 4.251 10.064 3.251 752 HG13 VAL 100 HG13 VAL 100 5.419 11.377 3.384 753 HG21 VAL 100 HG21 VAL 100 2.173 10.425 1.738 754 HG22 VAL 100 HG22 VAL 100 3.255 10.906 0.431 755 HG23 VAL 100 HG23 VAL 100 1.970 11.993 0.957 756 H LYS 101 H LYS 101 0.340 12.009 3.512 757 HA LYS 101 HA LYS 101 0.496 9.648 5.292 758 HB2 LYS 101 HB2 LYS 101 -0.637 11.631 6.267 759 HB3 LYS 101 HB3 LYS 101 -1.819 11.575 4.966 760 HG2 LYS 101 HG2 LYS 101 -2.704 9.503 5.741 761 HG3 LYS 101 HG3 LYS 101 -1.366 9.284 6.872 762 HD2 LYS 101 HD2 LYS 101 -2.127 11.288 8.114 763 HD3 LYS 101 HD3 LYS 101 -3.503 11.422 7.015 764 HE2 LYS 101 HE2 LYS 101 -4.396 9.334 7.764 765 HE3 LYS 101 HE3 LYS 101 -2.935 8.973 8.681 766 HZ1 LYS 101 HZ1 LYS 101 -4.653 9.714 10.154 767 HZ2 LYS 101 HZ2 LYS 101 -4.889 11.132 9.260 768 HZ3 LYS 101 HZ3 LYS 101 -3.440 10.894 10.102 769 H VAL 102 H VAL 102 -0.688 7.809 4.818 770 HA VAL 102 HA VAL 102 -1.598 7.613 2.018 771 HB VAL 102 HB VAL 102 -0.653 5.399 3.858 772 HG11 VAL 102 HG11 VAL 102 -1.283 5.386 0.902 773 HG12 VAL 102 HG12 VAL 102 -2.195 4.574 2.176 774 HG13 VAL 102 HG13 VAL 102 -0.555 4.049 1.792 775 HG21 VAL 102 HG21 VAL 102 1.383 5.381 2.462 776 HG22 VAL 102 HG22 VAL 102 1.181 6.902 3.334 777 HG23 VAL 102 HG23 VAL 102 0.797 6.812 1.615 778 H ILE 103 H ILE 103 -3.587 6.855 1.512 779 HA ILE 103 HA ILE 103 -5.403 6.013 3.692 780 HB ILE 103 HB ILE 103 -6.214 7.639 1.264 781 HG12 ILE 103 HG12 ILE 103 -4.780 8.984 2.765 782 HG13 ILE 103 HG13 ILE 103 -6.439 9.569 2.745 783 HG21 ILE 103 HG21 ILE 103 -7.737 6.880 3.763 784 HG22 ILE 103 HG22 ILE 103 -8.006 6.255 2.136 785 HG23 ILE 103 HG23 ILE 103 -8.328 7.951 2.492 786 HD11 ILE 103 HD11 ILE 103 -5.201 7.870 4.900 787 HD12 ILE 103 HD12 ILE 103 -6.850 8.498 4.887 788 HD13 ILE 103 HD13 ILE 103 -5.485 9.609 4.979 789 H LEU 104 H LEU 104 -6.203 4.009 3.383 790 HA LEU 104 HA LEU 104 -6.116 2.740 0.749 791 HB2 LEU 104 HB2 LEU 104 -6.966 1.661 3.445 792 HB3 LEU 104 HB3 LEU 104 -6.875 0.714 1.974 793 HG LEU 104 HG LEU 104 -4.531 2.007 3.383 794 HD11 LEU 104 HD11 LEU 104 -5.407 0.124 4.632 795 HD12 LEU 104 HD12 LEU 104 -3.872 -0.309 3.883 796 HD13 LEU 104 HD13 LEU 104 -5.386 -0.883 3.183 797 HD21 LEU 104 HD21 LEU 104 -3.139 0.804 1.789 798 HD22 LEU 104 HD22 LEU 104 -4.222 1.913 0.949 799 HD23 LEU 104 HD23 LEU 104 -4.574 0.183 0.972 800 H LYS 105 H LYS 105 -7.875 2.476 -0.566 801 HA LYS 105 HA LYS 105 -10.559 2.564 0.614 802 HB2 LYS 105 HB2 LYS 105 -9.658 4.316 -1.685 803 HB3 LYS 105 HB3 LYS 105 -11.346 4.049 -1.261 804 HG2 LYS 105 HG2 LYS 105 -10.858 4.963 1.005 805 HG3 LYS 105 HG3 LYS 105 -9.232 5.363 0.448 806 HD2 LYS 105 HD2 LYS 105 -10.174 6.834 -1.267 807 HD3 LYS 105 HD3 LYS 105 -11.808 6.407 -0.751 808 HE2 LYS 105 HE2 LYS 105 -11.298 7.337 1.489 809 HE3 LYS 105 HE3 LYS 105 -9.717 7.841 0.892 810 HZ1 LYS 105 HZ1 LYS 105 -12.368 8.813 -0.003 811 HZ2 LYS 105 HZ2 LYS 105 -10.923 9.176 -0.804 812 HZ3 LYS 105 HZ3 LYS 105 -11.159 9.691 0.787 813 H ASN 106 H ASN 106 -12.149 1.407 -0.475 814 HA ASN 106 HA ASN 106 -11.149 -0.604 -2.339 815 HB2 ASN 106 HB2 ASN 106 -13.945 -0.359 -1.196 816 HB3 ASN 106 HB3 ASN 106 -13.222 -1.776 -1.950 817 HD21 ASN 106 HD21 ASN 106 -11.621 -2.932 -0.798 818 HD22 ASN 106 HD22 ASN 106 -11.489 -2.792 0.916 819 H SER 107 H SER 107 -13.230 -1.283 -3.879 820 HA SER 107 HA SER 107 -13.022 0.317 -6.113 821 HB2 SER 107 HB2 SER 107 -15.399 -1.444 -5.456 822 HB3 SER 107 HB3 SER 107 -14.850 -0.970 -7.064 823 HG SER 107 HG SER 107 -12.813 -2.073 -6.432 824 H GLN 108 H GLN 108 -15.567 0.459 -3.618 825 HA GLN 108 HA GLN 108 -17.121 2.380 -5.118 826 HB2 GLN 108 HB2 GLN 108 -17.449 1.258 -2.331 827 HB3 GLN 108 HB3 GLN 108 -18.560 2.417 -3.053 828 HG2 GLN 108 HG2 GLN 108 -18.998 0.794 -4.877 829 HG3 GLN 108 HG3 GLN 108 -17.966 -0.369 -4.043 830 HE21 GLN 108 HE21 GLN 108 -19.707 -1.805 -3.824 831 HE22 GLN 108 HE22 GLN 108 -20.962 -1.538 -2.672 832 H GLY 109 H GLY 109 -14.324 2.806 -3.425 833 HA2 GLY 109 HA2 GLY 109 -13.314 4.873 -2.916 834 HA3 GLY 109 HA3 GLY 109 -14.892 5.640 -2.975 835 H GLU 110 H GLU 110 -15.303 2.978 -1.134 836 HA GLU 110 HA GLU 110 -15.503 4.340 1.336 837 HB2 GLU 110 HB2 GLU 110 -15.914 2.069 2.267 838 HB3 GLU 110 HB3 GLU 110 -16.889 2.407 0.838 839 HG2 GLU 110 HG2 GLU 110 -15.186 1.176 -0.517 840 HG3 GLU 110 HG3 GLU 110 -14.403 0.715 0.991 841 H GLU 111 H GLU 111 -14.132 4.416 3.109 842 HA GLU 111 HA GLU 111 -11.331 3.918 2.550 843 HB2 GLU 111 HB2 GLU 111 -12.105 6.019 3.627 844 HB3 GLU 111 HB3 GLU 111 -12.604 5.089 5.033 845 HG2 GLU 111 HG2 GLU 111 -10.257 4.376 5.354 846 HG3 GLU 111 HG3 GLU 111 -9.784 5.390 3.993 847 H VAL 112 H VAL 112 -10.095 2.329 3.326 848 HA VAL 112 HA VAL 112 -11.260 0.296 5.087 849 HB VAL 112 HB VAL 112 -8.585 0.250 3.659 850 HG11 VAL 112 HG11 VAL 112 -8.676 -2.176 4.059 851 HG12 VAL 112 HG12 VAL 112 -10.179 -1.968 4.958 852 HG13 VAL 112 HG13 VAL 112 -8.681 -1.263 5.568 853 HG21 VAL 112 HG21 VAL 112 -10.408 0.403 2.041 854 HG22 VAL 112 HG22 VAL 112 -11.215 -0.968 2.803 855 HG23 VAL 112 HG23 VAL 112 -9.663 -1.196 1.998 856 H ALA 113 H ALA 113 -8.319 2.293 4.866 857 HA ALA 113 HA ALA 113 -8.114 2.650 7.689 858 HB1 ALA 113 HB1 ALA 113 -6.082 0.808 6.412 859 HB2 ALA 113 HB2 ALA 113 -7.323 0.328 7.569 860 HB3 ALA 113 HB3 ALA 113 -6.030 1.420 8.065 861 H GLN 114 H GLN 114 -6.119 3.849 8.294 862 HA GLN 114 HA GLN 114 -4.809 5.227 6.049 863 HB2 GLN 114 HB2 GLN 114 -5.086 7.394 7.351 864 HB3 GLN 114 HB3 GLN 114 -6.536 6.754 6.588 865 HG2 GLN 114 HG2 GLN 114 -7.257 5.826 8.739 866 HG3 GLN 114 HG3 GLN 114 -5.811 6.485 9.504 867 HE21 GLN 114 HE21 GLN 114 -8.874 7.254 8.025 868 HE22 GLN 114 HE22 GLN 114 -8.984 8.862 8.647 869 H ARG 115 H ARG 115 -2.661 5.690 6.374 870 HA ARG 115 HA ARG 115 -1.479 5.732 9.003 871 HB2 ARG 115 HB2 ARG 115 -1.839 3.276 8.515 872 HB3 ARG 115 HB3 ARG 115 -0.696 3.434 7.190 873 HG2 ARG 115 HG2 ARG 115 1.090 3.947 8.705 874 HG3 ARG 115 HG3 ARG 115 -0.029 4.057 10.066 875 HD2 ARG 115 HD2 ARG 115 0.636 1.574 8.473 876 HD3 ARG 115 HD3 ARG 115 1.141 1.927 10.127 877 HE ARG 115 HE ARG 115 -1.681 2.009 9.927 878 HH11 ARG 115 HH11 ARG 115 0.938 -0.254 10.017 879 HH12 ARG 115 HH12 ARG 115 -0.063 -1.525 10.618 880 HH21 ARG 115 HH21 ARG 115 -2.920 0.385 10.701 881 HH22 ARG 115 HH22 ARG 115 -2.223 -1.168 11.017 882 H SER 116 H SER 116 0.801 6.256 8.973 883 HA SER 116 HA SER 116 1.954 7.017 6.382 884 HB2 SER 116 HB2 SER 116 2.589 9.263 7.315 885 HB3 SER 116 HB3 SER 116 0.852 9.054 7.098 886 HG SER 116 HG SER 116 2.101 9.749 9.295 887 H THR 117 H THR 117 4.236 8.244 7.128 888 HA THR 117 HA THR 117 5.506 6.749 9.292 889 HB THR 117 HB THR 117 5.837 5.341 7.251 890 HG1 THR 117 HG1 THR 117 7.810 4.852 7.925 891 HG21 THR 117 HG21 THR 117 5.937 7.135 5.569 892 HG22 THR 117 HG22 THR 117 7.367 6.104 5.498 893 HG23 THR 117 HG23 THR 117 7.462 7.692 6.258 894 H VAL 118 H VAL 118 7.371 7.775 10.126 895 HA VAL 118 HA VAL 118 7.487 10.619 9.471 896 HB VAL 118 HB VAL 118 8.863 9.188 11.754 897 HG11 VAL 118 HG11 VAL 118 8.212 12.107 11.302 898 HG12 VAL 118 HG12 VAL 118 9.813 11.368 11.256 899 HG13 VAL 118 HG13 VAL 118 8.916 11.436 12.773 900 HG21 VAL 118 HG21 VAL 118 6.152 10.530 11.709 901 HG22 VAL 118 HG22 VAL 118 6.977 9.950 13.158 902 HG23 VAL 118 HG23 VAL 118 6.465 8.807 11.915 903 H PHE 119 H PHE 119 8.807 10.961 7.729 904 HA PHE 119 HA PHE 119 11.491 9.780 7.751 905 HB2 PHE 119 HB2 PHE 119 11.697 10.796 5.448 906 HB3 PHE 119 HB3 PHE 119 10.462 9.558 5.617 907 HD1 PHE 119 HD1 PHE 119 8.053 10.235 5.747 908 HD2 PHE 119 HD2 PHE 119 11.141 13.003 4.756 909 HE1 PHE 119 HE1 PHE 119 6.379 11.764 4.798 910 HE2 PHE 119 HE2 PHE 119 9.465 14.531 3.797 911 HZ PHE 119 HZ PHE 119 7.083 13.907 3.817 912 H LYS 120 H LYS 120 12.867 10.843 9.019 913 HA LYS 120 HA LYS 120 12.977 13.780 8.855 914 HB2 LYS 120 HB2 LYS 120 13.189 13.885 11.333 915 HB3 LYS 120 HB3 LYS 120 11.621 13.307 10.785 916 HG2 LYS 120 HG2 LYS 120 12.426 10.968 11.196 917 HG3 LYS 120 HG3 LYS 120 13.875 11.661 11.928 918 HD2 LYS 120 HD2 LYS 120 12.519 12.786 13.612 919 HD3 LYS 120 HD3 LYS 120 11.044 12.192 12.849 920 HE2 LYS 120 HE2 LYS 120 11.529 10.826 14.768 921 HE3 LYS 120 HE3 LYS 120 11.799 9.870 13.313 922 HZ1 LYS 120 HZ1 LYS 120 14.184 10.369 13.534 923 HZ2 LYS 120 HZ2 LYS 120 13.576 9.509 14.855 924 HZ3 LYS 120 HZ3 LYS 120 13.872 11.167 14.991 925 H THR 121 H THR 121 14.924 14.735 9.718 926 HA THR 121 HA THR 121 17.269 12.936 9.829 927 HB THR 121 HB THR 121 18.583 14.848 8.789 928 HG1 THR 121 HG1 THR 121 17.238 16.588 8.909 929 HG21 THR 121 HG21 THR 121 16.439 13.554 7.098 930 HG22 THR 121 HG22 THR 121 18.024 12.877 7.474 931 HG23 THR 121 HG23 THR 121 17.897 14.328 6.477 932 H THR 122 H THR 122 18.377 13.124 11.705 933 HA THR 122 HA THR 122 18.285 15.670 13.173 934 HB THR 122 HB THR 122 16.426 14.558 14.126 935 HG1 THR 122 HG1 THR 122 18.617 14.080 15.892 936 HG21 THR 122 HG21 THR 122 18.169 12.113 14.468 937 HG22 THR 122 HG22 THR 122 16.809 12.287 13.361 938 HG23 THR 122 HG23 THR 122 16.533 12.291 15.102 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -12.464 -5.598 -11.984 2 H2 MET 1 H2 MET 1 -13.119 -4.946 -13.399 3 H3 MET 1 H3 MET 1 -11.476 -4.750 -13.066 4 HA MET 1 HA MET 1 -11.807 -6.422 -14.753 5 HB2 MET 1 HB2 MET 1 -10.880 -7.488 -12.076 6 HB3 MET 1 HB3 MET 1 -10.617 -8.312 -13.606 7 HG2 MET 1 HG2 MET 1 -9.557 -5.594 -12.854 8 HG3 MET 1 HG3 MET 1 -8.634 -7.098 -12.914 9 HE1 MET 1 HE1 MET 1 -7.783 -4.409 -14.422 10 HE2 MET 1 HE2 MET 1 -7.281 -5.042 -15.989 11 HE3 MET 1 HE3 MET 1 -6.835 -5.894 -14.512 12 H GLY 2 H GLY 2 -13.905 -6.930 -15.380 13 HA2 GLY 2 HA2 GLY 2 -15.710 -8.324 -15.660 14 HA3 GLY 2 HA3 GLY 2 -14.915 -9.466 -14.591 15 H HIS 3 H HIS 3 -16.900 -6.514 -14.607 16 HA HIS 3 HA HIS 3 -17.464 -6.500 -11.835 17 HB2 HIS 3 HB2 HIS 3 -17.758 -4.568 -13.439 18 HB3 HIS 3 HB3 HIS 3 -19.225 -5.356 -14.014 19 HD1 HIS 3 HD1 HIS 3 -21.168 -5.633 -12.171 20 HD2 HIS 3 HD2 HIS 3 -18.062 -3.062 -11.179 21 HE1 HIS 3 HE1 HIS 3 -22.022 -4.264 -10.256 22 HE2 HIS 3 HE2 HIS 3 -20.064 -2.844 -9.564 23 H HIS 4 H HIS 4 -19.513 -7.550 -14.573 24 HA HIS 4 HA HIS 4 -21.266 -9.019 -12.746 25 HB2 HIS 4 HB2 HIS 4 -22.222 -7.665 -14.614 26 HB3 HIS 4 HB3 HIS 4 -21.427 -8.736 -15.763 27 HD1 HIS 4 HD1 HIS 4 -24.377 -8.481 -13.528 28 HD2 HIS 4 HD2 HIS 4 -22.584 -11.337 -15.953 29 HE1 HIS 4 HE1 HIS 4 -26.075 -10.310 -13.775 30 HE2 HIS 4 HE2 HIS 4 -24.901 -12.100 -15.095 31 H HIS 5 H HIS 5 -18.689 -9.553 -14.990 32 HA HIS 5 HA HIS 5 -19.085 -12.293 -15.563 33 HB2 HIS 5 HB2 HIS 5 -17.470 -10.458 -16.592 34 HB3 HIS 5 HB3 HIS 5 -16.329 -11.110 -15.421 35 HD1 HIS 5 HD1 HIS 5 -18.253 -12.034 -18.505 36 HD2 HIS 5 HD2 HIS 5 -15.269 -13.616 -16.087 37 HE1 HIS 5 HE1 HIS 5 -17.320 -13.981 -19.776 38 HE2 HIS 5 HE2 HIS 5 -15.650 -15.023 -18.222 39 H HIS 6 H HIS 6 -17.868 -10.654 -12.769 40 HA HIS 6 HA HIS 6 -17.175 -13.243 -11.529 41 HB2 HIS 6 HB2 HIS 6 -16.334 -10.431 -10.793 42 HB3 HIS 6 HB3 HIS 6 -16.074 -11.820 -9.744 43 HD1 HIS 6 HD1 HIS 6 -14.106 -9.845 -11.688 44 HD2 HIS 6 HD2 HIS 6 -14.769 -13.948 -11.739 45 HE1 HIS 6 HE1 HIS 6 -12.087 -10.838 -12.801 46 HE2 HIS 6 HE2 HIS 6 -12.612 -13.291 -13.003 47 H HIS 7 H HIS 7 -18.326 -13.972 -9.847 48 HA HIS 7 HA HIS 7 -19.940 -12.194 -8.230 49 HB2 HIS 7 HB2 HIS 7 -21.985 -13.763 -8.556 50 HB3 HIS 7 HB3 HIS 7 -21.658 -12.529 -9.764 51 HD1 HIS 7 HD1 HIS 7 -21.952 -16.189 -9.316 52 HD2 HIS 7 HD2 HIS 7 -20.628 -13.534 -12.233 53 HE1 HIS 7 HE1 HIS 7 -21.804 -17.528 -11.433 54 HE2 HIS 7 HE2 HIS 7 -20.976 -15.918 -13.174 55 H HIS 8 H HIS 8 -18.843 -12.743 -6.440 56 HA HIS 8 HA HIS 8 -19.240 -15.419 -5.343 57 HB2 HIS 8 HB2 HIS 8 -17.086 -15.616 -6.461 58 HB3 HIS 8 HB3 HIS 8 -16.506 -14.149 -5.681 59 HD1 HIS 8 HD1 HIS 8 -15.486 -14.395 -3.367 60 HD2 HIS 8 HD2 HIS 8 -17.343 -17.870 -4.690 61 HE1 HIS 8 HE1 HIS 8 -14.833 -16.175 -1.726 62 HE2 HIS 8 HE2 HIS 8 -15.920 -18.280 -2.571 63 H SER 9 H SER 9 -19.988 -15.176 -3.332 64 HA SER 9 HA SER 9 -19.553 -12.677 -1.882 65 HB2 SER 9 HB2 SER 9 -21.201 -13.668 -0.254 66 HB3 SER 9 HB3 SER 9 -21.822 -13.485 -1.893 67 HG SER 9 HG SER 9 -22.209 -15.566 -0.776 68 H HIS 10 H HIS 10 -19.462 -13.181 0.692 69 HA HIS 10 HA HIS 10 -18.142 -13.734 2.450 70 HB2 HIS 10 HB2 HIS 10 -17.638 -16.156 0.734 71 HB3 HIS 10 HB3 HIS 10 -16.781 -15.930 2.255 72 HD1 HIS 10 HD1 HIS 10 -18.391 -15.646 4.406 73 HD2 HIS 10 HD2 HIS 10 -20.109 -17.296 1.003 74 HE1 HIS 10 HE1 HIS 10 -20.468 -16.802 5.201 75 HE2 HIS 10 HE2 HIS 10 -21.594 -17.600 3.100 76 H MET 11 H MET 11 -17.176 -11.989 0.342 77 HA MET 11 HA MET 11 -14.310 -12.411 0.228 78 HB2 MET 11 HB2 MET 11 -15.929 -9.965 -0.533 79 HB3 MET 11 HB3 MET 11 -14.239 -10.251 -0.929 80 HG2 MET 11 HG2 MET 11 -16.589 -11.868 -1.906 81 HG3 MET 11 HG3 MET 11 -15.676 -10.686 -2.840 82 HE1 MET 11 HE1 MET 11 -13.132 -11.028 -3.583 83 HE2 MET 11 HE2 MET 11 -12.167 -12.432 -3.126 84 HE3 MET 11 HE3 MET 11 -12.683 -11.281 -1.895 85 H THR 12 H THR 12 -13.532 -12.414 2.321 86 HA THR 12 HA THR 12 -14.266 -10.280 4.183 87 HB THR 12 HB THR 12 -12.952 -11.585 5.844 88 HG1 THR 12 HG1 THR 12 -12.666 -13.889 4.568 89 HG21 THR 12 HG21 THR 12 -14.977 -13.206 4.284 90 HG22 THR 12 HG22 THR 12 -15.337 -12.047 5.564 91 HG23 THR 12 HG23 THR 12 -14.460 -13.530 5.938 92 H GLY 13 H GLY 13 -12.611 -9.567 1.890 93 HA2 GLY 13 HA2 GLY 13 -9.870 -9.431 2.455 94 HA3 GLY 13 HA3 GLY 13 -10.735 -8.368 1.361 95 H ASN 14 H ASN 14 -9.554 -8.779 4.633 96 HA ASN 14 HA ASN 14 -9.935 -5.893 5.128 97 HB2 ASN 14 HB2 ASN 14 -9.330 -8.139 7.074 98 HB3 ASN 14 HB3 ASN 14 -9.427 -6.435 7.514 99 HD21 ASN 14 HD21 ASN 14 -11.211 -9.278 6.674 100 HD22 ASN 14 HD22 ASN 14 -12.776 -8.638 7.020 101 H VAL 15 H VAL 15 -8.211 -4.962 4.106 102 HA VAL 15 HA VAL 15 -5.509 -6.017 4.655 103 HB VAL 15 HB VAL 15 -6.407 -4.150 2.441 104 HG11 VAL 15 HG11 VAL 15 -4.168 -4.545 1.486 105 HG12 VAL 15 HG12 VAL 15 -3.723 -5.464 2.925 106 HG13 VAL 15 HG13 VAL 15 -4.084 -3.742 3.054 107 HG21 VAL 15 HG21 VAL 15 -5.672 -7.083 2.349 108 HG22 VAL 15 HG22 VAL 15 -6.034 -6.071 0.951 109 HG23 VAL 15 HG23 VAL 15 -7.288 -6.407 2.146 110 H CYS 16 H CYS 16 -3.924 -4.756 5.530 111 HA CYS 16 HA CYS 16 -4.463 -1.913 6.088 112 HB2 CYS 16 HB2 CYS 16 -3.627 -2.176 8.401 113 HB3 CYS 16 HB3 CYS 16 -5.092 -3.111 8.128 114 HG CYS 16 HG CYS 16 -3.088 -5.359 7.477 115 H ILE 17 H ILE 17 -2.426 -0.750 6.808 116 HA ILE 17 HA ILE 17 -0.241 -1.611 5.080 117 HB ILE 17 HB ILE 17 -0.476 0.930 6.715 118 HG12 ILE 17 HG12 ILE 17 -0.799 1.915 4.321 119 HG13 ILE 17 HG13 ILE 17 -1.242 0.273 3.869 120 HG21 ILE 17 HG21 ILE 17 1.837 0.411 6.253 121 HG22 ILE 17 HG22 ILE 17 1.330 1.768 5.247 122 HG23 ILE 17 HG23 ILE 17 1.478 0.158 4.543 123 HD11 ILE 17 HD11 ILE 17 -3.196 1.634 4.336 124 HD12 ILE 17 HD12 ILE 17 -2.601 1.957 5.965 125 HD13 ILE 17 HD13 ILE 17 -3.057 0.317 5.500 126 H GLU 18 H GLU 18 1.424 -2.793 5.816 127 HA GLU 18 HA GLU 18 1.821 -3.325 8.586 128 HB2 GLU 18 HB2 GLU 18 2.402 -4.984 6.863 129 HB3 GLU 18 HB3 GLU 18 3.653 -3.912 6.243 130 HG2 GLU 18 HG2 GLU 18 4.749 -4.035 8.502 131 HG3 GLU 18 HG3 GLU 18 3.577 -5.278 8.930 132 H GLU 19 H GLU 19 3.747 -1.470 6.203 133 HA GLU 19 HA GLU 19 4.553 0.464 8.117 134 HB2 GLU 19 HB2 GLU 19 5.934 -1.504 8.856 135 HB3 GLU 19 HB3 GLU 19 6.749 -1.456 7.298 136 HG2 GLU 19 HG2 GLU 19 8.082 -0.363 9.005 137 HG3 GLU 19 HG3 GLU 19 7.562 0.799 7.783 138 H ILE 20 H ILE 20 5.803 2.157 7.250 139 HA ILE 20 HA ILE 20 6.035 2.181 4.302 140 HB ILE 20 HB ILE 20 5.899 4.520 6.234 141 HG12 ILE 20 HG12 ILE 20 3.821 3.474 4.285 142 HG13 ILE 20 HG13 ILE 20 3.752 3.304 6.036 143 HG21 ILE 20 HG21 ILE 20 7.220 5.059 4.254 144 HG22 ILE 20 HG22 ILE 20 5.682 5.918 4.222 145 HG23 ILE 20 HG23 ILE 20 5.916 4.493 3.210 146 HD11 ILE 20 HD11 ILE 20 3.677 5.897 4.509 147 HD12 ILE 20 HD12 ILE 20 3.600 5.730 6.262 148 HD13 ILE 20 HD13 ILE 20 2.303 5.086 5.256 149 H ASP 21 H ASP 21 8.027 2.463 3.359 150 HA ASP 21 HA ASP 21 10.394 2.309 4.936 151 HB2 ASP 21 HB2 ASP 21 10.410 1.293 2.770 152 HB3 ASP 21 HB3 ASP 21 9.932 2.797 1.989 153 H VAL 22 H VAL 22 11.695 3.867 5.708 154 HA VAL 22 HA VAL 22 10.798 6.567 5.781 155 HB VAL 22 HB VAL 22 11.978 5.500 7.658 156 HG11 VAL 22 HG11 VAL 22 14.417 5.630 5.879 157 HG12 VAL 22 HG12 VAL 22 13.609 4.169 6.453 158 HG13 VAL 22 HG13 VAL 22 14.426 5.232 7.599 159 HG21 VAL 22 HG21 VAL 22 13.429 7.386 8.257 160 HG22 VAL 22 HG22 VAL 22 11.917 7.937 7.537 161 HG23 VAL 22 HG23 VAL 22 13.403 7.940 6.583 162 H ASP 23 H ASP 23 13.122 4.902 3.756 163 HA ASP 23 HA ASP 23 14.554 7.252 2.944 164 HB2 ASP 23 HB2 ASP 23 15.417 4.862 2.878 165 HB3 ASP 23 HB3 ASP 23 14.404 4.619 1.460 166 H GLY 24 H GLY 24 11.979 5.279 1.487 167 HA2 GLY 24 HA2 GLY 24 10.148 6.512 0.384 168 HA3 GLY 24 HA3 GLY 24 11.376 7.525 -0.353 169 H LYS 25 H LYS 25 11.436 4.009 -0.027 170 HA LYS 25 HA LYS 25 11.634 3.780 -2.954 171 HB2 LYS 25 HB2 LYS 25 12.404 1.805 -0.796 172 HB3 LYS 25 HB3 LYS 25 12.692 1.610 -2.521 173 HG2 LYS 25 HG2 LYS 25 14.311 3.318 -2.554 174 HG3 LYS 25 HG3 LYS 25 13.825 3.924 -0.967 175 HD2 LYS 25 HD2 LYS 25 14.615 1.814 0.049 176 HD3 LYS 25 HD3 LYS 25 15.159 1.269 -1.540 177 HE2 LYS 25 HE2 LYS 25 16.800 2.976 -1.662 178 HE3 LYS 25 HE3 LYS 25 16.114 3.832 -0.281 179 HZ1 LYS 25 HZ1 LYS 25 18.116 2.613 0.307 180 HZ2 LYS 25 HZ2 LYS 25 17.395 1.160 -0.170 181 HZ3 LYS 25 HZ3 LYS 25 16.771 2.019 1.142 182 H PHE 26 H PHE 26 9.848 2.457 -0.161 183 HA PHE 26 HA PHE 26 7.779 1.427 -1.902 184 HB2 PHE 26 HB2 PHE 26 8.000 -0.919 -1.205 185 HB3 PHE 26 HB3 PHE 26 9.436 -0.364 -2.055 186 HD1 PHE 26 HD1 PHE 26 11.546 -0.013 -0.844 187 HD2 PHE 26 HD2 PHE 26 8.092 -1.541 1.129 188 HE1 PHE 26 HE1 PHE 26 12.949 -0.764 1.029 189 HE2 PHE 26 HE2 PHE 26 9.496 -2.294 3.002 190 HZ PHE 26 HZ PHE 26 11.926 -1.907 2.956 191 H ILE 27 H ILE 27 5.935 0.558 -0.799 192 HA ILE 27 HA ILE 27 5.825 0.930 2.134 193 HB ILE 27 HB ILE 27 3.623 1.639 0.167 194 HG12 ILE 27 HG12 ILE 27 5.271 3.440 1.972 195 HG13 ILE 27 HG13 ILE 27 5.456 3.309 0.227 196 HG21 ILE 27 HG21 ILE 27 3.677 1.858 3.182 197 HG22 ILE 27 HG22 ILE 27 2.747 0.692 2.242 198 HG23 ILE 27 HG23 ILE 27 2.374 2.412 2.128 199 HD11 ILE 27 HD11 ILE 27 4.212 5.294 0.806 200 HD12 ILE 27 HD12 ILE 27 3.029 4.328 1.685 201 HD13 ILE 27 HD13 ILE 27 3.176 4.161 -0.066 202 H ARG 28 H ARG 28 5.213 -0.962 3.134 203 HA ARG 28 HA ARG 28 4.129 -3.077 1.399 204 HB2 ARG 28 HB2 ARG 28 6.132 -3.789 2.434 205 HB3 ARG 28 HB3 ARG 28 5.624 -3.199 4.012 206 HG2 ARG 28 HG2 ARG 28 4.081 -4.958 4.295 207 HG3 ARG 28 HG3 ARG 28 4.158 -5.409 2.590 208 HD2 ARG 28 HD2 ARG 28 6.555 -5.584 4.409 209 HD3 ARG 28 HD3 ARG 28 5.390 -6.900 4.261 210 HE ARG 28 HE ARG 28 6.439 -5.973 1.743 211 HH11 ARG 28 HH11 ARG 28 6.924 -8.127 4.390 212 HH12 ARG 28 HH12 ARG 28 7.868 -9.231 3.453 213 HH21 ARG 28 HH21 ARG 28 7.634 -7.410 0.553 214 HH22 ARG 28 HH22 ARG 28 8.267 -8.826 1.312 215 H LEU 29 H LEU 29 2.086 -3.600 1.478 216 HA LEU 29 HA LEU 29 0.451 -3.020 3.845 217 HB2 LEU 29 HB2 LEU 29 -0.247 -3.824 1.019 218 HB3 LEU 29 HB3 LEU 29 -1.437 -3.773 2.304 219 HG LEU 29 HG LEU 29 -1.027 -1.344 2.577 220 HD11 LEU 29 HD11 LEU 29 1.270 -1.186 1.814 221 HD12 LEU 29 HD12 LEU 29 0.243 -0.130 0.843 222 HD13 LEU 29 HD13 LEU 29 0.792 -1.673 0.186 223 HD21 LEU 29 HD21 LEU 29 -2.837 -2.113 1.150 224 HD22 LEU 29 HD22 LEU 29 -1.736 -2.217 -0.226 225 HD23 LEU 29 HD23 LEU 29 -2.112 -0.648 0.488 226 H LYS 30 H LYS 30 -1.329 -4.808 4.211 227 HA LYS 30 HA LYS 30 -0.358 -7.525 3.865 228 HB2 LYS 30 HB2 LYS 30 0.893 -6.771 5.826 229 HB3 LYS 30 HB3 LYS 30 -0.600 -6.284 6.617 230 HG2 LYS 30 HG2 LYS 30 -1.331 -8.578 6.762 231 HG3 LYS 30 HG3 LYS 30 0.065 -9.120 5.824 232 HD2 LYS 30 HD2 LYS 30 1.556 -8.296 7.608 233 HD3 LYS 30 HD3 LYS 30 0.146 -7.808 8.549 234 HE2 LYS 30 HE2 LYS 30 -0.589 -10.112 8.710 235 HE3 LYS 30 HE3 LYS 30 0.732 -10.636 7.666 236 HZ1 LYS 30 HZ1 LYS 30 1.064 -9.361 10.322 237 HZ2 LYS 30 HZ2 LYS 30 2.309 -9.926 9.326 238 HZ3 LYS 30 HZ3 LYS 30 1.210 -11.016 10.010 239 H ASN 31 H ASN 31 -2.002 -8.929 3.704 240 HA ASN 31 HA ASN 31 -4.731 -8.014 4.208 241 HB2 ASN 31 HB2 ASN 31 -4.319 -9.075 2.068 242 HB3 ASN 31 HB3 ASN 31 -3.619 -10.487 2.849 243 HD21 ASN 31 HD21 ASN 31 -5.072 -11.884 1.872 244 HD22 ASN 31 HD22 ASN 31 -6.735 -11.959 2.332 245 H THR 32 H THR 32 -5.322 -8.211 6.322 246 HA THR 32 HA THR 32 -4.706 -10.748 7.702 247 HB THR 32 HB THR 32 -3.858 -8.912 8.980 248 HG1 THR 32 HG1 THR 32 -5.769 -9.086 10.749 249 HG21 THR 32 HG21 THR 32 -6.630 -7.695 8.926 250 HG22 THR 32 HG22 THR 32 -5.235 -7.107 8.017 251 HG23 THR 32 HG23 THR 32 -5.224 -7.057 9.780 252 H SER 33 H SER 33 -6.362 -11.940 6.748 253 HA SER 33 HA SER 33 -9.085 -11.302 7.651 254 HB2 SER 33 HB2 SER 33 -9.971 -11.925 5.411 255 HB3 SER 33 HB3 SER 33 -8.957 -10.484 5.364 256 HG SER 33 HG SER 33 -7.604 -11.490 4.121 257 H GLU 34 H GLU 34 -10.568 -13.258 6.792 258 HA GLU 34 HA GLU 34 -9.567 -15.584 8.189 259 HB2 GLU 34 HB2 GLU 34 -12.212 -15.055 6.823 260 HB3 GLU 34 HB3 GLU 34 -11.840 -16.509 7.738 261 HG2 GLU 34 HG2 GLU 34 -11.490 -15.124 9.749 262 HG3 GLU 34 HG3 GLU 34 -11.958 -13.699 8.817 263 H GLN 35 H GLN 35 -9.718 -14.646 4.858 264 HA GLN 35 HA GLN 35 -9.059 -17.366 4.004 265 HB2 GLN 35 HB2 GLN 35 -11.501 -17.310 3.927 266 HB3 GLN 35 HB3 GLN 35 -11.459 -15.852 2.948 267 HG2 GLN 35 HG2 GLN 35 -10.429 -17.085 1.117 268 HG3 GLN 35 HG3 GLN 35 -10.402 -18.547 2.102 269 HE21 GLN 35 HE21 GLN 35 -12.405 -16.346 0.308 270 HE22 GLN 35 HE22 GLN 35 -13.813 -17.345 0.269 271 H ASP 36 H ASP 36 -8.134 -17.529 1.924 272 HA ASP 36 HA ASP 36 -6.425 -15.587 0.994 273 HB2 ASP 36 HB2 ASP 36 -7.811 -17.761 -0.608 274 HB3 ASP 36 HB3 ASP 36 -6.390 -16.871 -1.142 275 H GLN 37 H GLN 37 -6.634 -13.726 -0.148 276 HA GLN 37 HA GLN 37 -9.199 -13.204 -1.523 277 HB2 GLN 37 HB2 GLN 37 -7.467 -11.274 0.037 278 HB3 GLN 37 HB3 GLN 37 -8.838 -10.787 -0.950 279 HG2 GLN 37 HG2 GLN 37 -8.981 -12.635 1.431 280 HG3 GLN 37 HG3 GLN 37 -9.379 -10.919 1.451 281 HE21 GLN 37 HE21 GLN 37 -10.387 -14.079 0.430 282 HE22 GLN 37 HE22 GLN 37 -11.999 -13.641 -0.008 283 HA PRO 38 HA PRO 38 -6.426 -12.693 -5.046 284 HB2 PRO 38 HB2 PRO 38 -8.853 -12.242 -6.611 285 HB3 PRO 38 HB3 PRO 38 -7.713 -13.587 -6.686 286 HG2 PRO 38 HG2 PRO 38 -10.236 -13.866 -5.731 287 HG3 PRO 38 HG3 PRO 38 -8.874 -14.829 -5.126 288 HD2 PRO 38 HD2 PRO 38 -10.148 -12.385 -3.926 289 HD3 PRO 38 HD3 PRO 38 -9.643 -13.895 -3.133 290 H MET 39 H MET 39 -7.232 -10.339 -3.327 291 HA MET 39 HA MET 39 -7.028 -8.089 -3.347 292 HB2 MET 39 HB2 MET 39 -5.037 -8.527 -4.709 293 HB3 MET 39 HB3 MET 39 -6.017 -8.513 -6.167 294 HG2 MET 39 HG2 MET 39 -5.062 -6.416 -6.182 295 HG3 MET 39 HG3 MET 39 -6.635 -6.108 -5.458 296 HE1 MET 39 HE1 MET 39 -5.765 -5.415 -1.721 297 HE2 MET 39 HE2 MET 39 -6.401 -6.906 -2.415 298 HE3 MET 39 HE3 MET 39 -7.006 -5.346 -2.972 299 H GLY 40 H GLY 40 -8.019 -8.625 -6.753 300 HA2 GLY 40 HA2 GLY 40 -10.189 -8.246 -7.629 301 HA3 GLY 40 HA3 GLY 40 -10.607 -7.355 -6.177 302 H GLY 41 H GLY 41 -9.512 -5.205 -5.909 303 HA2 GLY 41 HA2 GLY 41 -8.137 -3.749 -7.766 304 HA3 GLY 41 HA3 GLY 41 -9.789 -3.697 -8.364 305 H TRP 42 H TRP 42 -7.669 -2.798 -5.704 306 HA TRP 42 HA TRP 42 -9.766 -1.120 -4.503 307 HB2 TRP 42 HB2 TRP 42 -7.052 -1.946 -3.427 308 HB3 TRP 42 HB3 TRP 42 -8.228 -0.972 -2.558 309 HD1 TRP 42 HD1 TRP 42 -9.274 -4.112 -4.518 310 HE1 TRP 42 HE1 TRP 42 -10.109 -5.878 -2.851 311 HE3 TRP 42 HE3 TRP 42 -8.066 -1.739 -0.155 312 HZ2 TRP 42 HZ2 TRP 42 -10.246 -6.224 -0.060 313 HZ3 TRP 42 HZ3 TRP 42 -8.581 -2.865 1.972 314 HH2 TRP 42 HH2 TRP 42 -9.647 -5.059 2.017 315 H GLU 43 H GLU 43 -8.819 0.981 -3.457 316 HA GLU 43 HA GLU 43 -6.966 2.314 -5.342 317 HB2 GLU 43 HB2 GLU 43 -9.269 3.120 -5.672 318 HB3 GLU 43 HB3 GLU 43 -9.378 3.523 -3.963 319 HG2 GLU 43 HG2 GLU 43 -7.466 5.117 -4.309 320 HG3 GLU 43 HG3 GLU 43 -7.613 4.815 -6.039 321 H MET 44 H MET 44 -5.080 2.636 -4.262 322 HA MET 44 HA MET 44 -5.194 3.402 -1.415 323 HB2 MET 44 HB2 MET 44 -3.765 1.478 -1.940 324 HB3 MET 44 HB3 MET 44 -2.840 2.458 -3.069 325 HG2 MET 44 HG2 MET 44 -2.088 3.883 -1.236 326 HG3 MET 44 HG3 MET 44 -3.048 2.937 -0.101 327 HE1 MET 44 HE1 MET 44 0.634 1.311 -2.366 328 HE2 MET 44 HE2 MET 44 0.033 2.960 -2.517 329 HE3 MET 44 HE3 MET 44 -0.910 1.616 -3.160 330 H ILE 45 H ILE 45 -4.978 5.466 -0.903 331 HA ILE 45 HA ILE 45 -3.679 7.326 -2.792 332 HB ILE 45 HB ILE 45 -5.461 7.970 -0.424 333 HG12 ILE 45 HG12 ILE 45 -6.148 7.945 -3.382 334 HG13 ILE 45 HG13 ILE 45 -6.683 6.753 -2.200 335 HG21 ILE 45 HG21 ILE 45 -5.589 10.219 -1.422 336 HG22 ILE 45 HG22 ILE 45 -4.437 9.727 -2.662 337 HG23 ILE 45 HG23 ILE 45 -3.938 9.790 -0.971 338 HD11 ILE 45 HD11 ILE 45 -7.916 8.487 -1.006 339 HD12 ILE 45 HD12 ILE 45 -8.433 8.360 -2.687 340 HD13 ILE 45 HD13 ILE 45 -7.382 9.682 -2.187 341 H ARG 46 H ARG 46 -2.055 8.776 -2.046 342 HA ARG 46 HA ARG 46 -1.119 8.401 0.719 343 HB2 ARG 46 HB2 ARG 46 0.263 7.088 -1.008 344 HB3 ARG 46 HB3 ARG 46 0.829 8.655 -1.572 345 HG2 ARG 46 HG2 ARG 46 1.553 9.103 0.819 346 HG3 ARG 46 HG3 ARG 46 1.240 7.396 1.131 347 HD2 ARG 46 HD2 ARG 46 3.535 7.494 0.659 348 HD3 ARG 46 HD3 ARG 46 2.805 6.929 -0.843 349 HE ARG 46 HE ARG 46 3.690 9.701 -0.367 350 HH11 ARG 46 HH11 ARG 46 3.225 7.015 -2.473 351 HH12 ARG 46 HH12 ARG 46 3.852 7.853 -3.849 352 HH21 ARG 46 HH21 ARG 46 4.525 10.751 -2.147 353 HH22 ARG 46 HH22 ARG 46 4.550 9.930 -3.667 354 H LYS 47 H LYS 47 -1.579 10.351 1.573 355 HA LYS 47 HA LYS 47 -1.086 12.803 0.080 356 HB2 LYS 47 HB2 LYS 47 -2.208 12.323 2.852 357 HB3 LYS 47 HB3 LYS 47 -2.027 13.913 2.121 358 HG2 LYS 47 HG2 LYS 47 -3.554 13.246 0.314 359 HG3 LYS 47 HG3 LYS 47 -3.750 11.667 1.075 360 HD2 LYS 47 HD2 LYS 47 -4.773 12.674 3.018 361 HD3 LYS 47 HD3 LYS 47 -4.440 14.296 2.400 362 HE2 LYS 47 HE2 LYS 47 -5.935 13.865 0.497 363 HE3 LYS 47 HE3 LYS 47 -6.262 12.247 1.119 364 HZ1 LYS 47 HZ1 LYS 47 -7.995 13.884 1.669 365 HZ2 LYS 47 HZ2 LYS 47 -6.870 14.762 2.578 366 HZ3 LYS 47 HZ3 LYS 47 -7.297 13.190 3.043 367 H ILE 48 H ILE 48 0.833 13.806 0.135 368 HA ILE 48 HA ILE 48 2.399 13.933 2.568 369 HB ILE 48 HB ILE 48 3.202 11.813 1.806 370 HG12 ILE 48 HG12 ILE 48 5.209 13.958 1.027 371 HG13 ILE 48 HG13 ILE 48 4.928 13.354 2.657 372 HG21 ILE 48 HG21 ILE 48 3.709 13.075 -0.891 373 HG22 ILE 48 HG22 ILE 48 2.429 11.924 -0.505 374 HG23 ILE 48 HG23 ILE 48 4.119 11.423 -0.427 375 HD11 ILE 48 HD11 ILE 48 6.933 12.389 1.702 376 HD12 ILE 48 HD12 ILE 48 6.007 11.760 0.339 377 HD13 ILE 48 HD13 ILE 48 5.715 11.142 1.966 378 H GLY 49 H GLY 49 2.428 16.128 2.532 379 HA2 GLY 49 HA2 GLY 49 3.130 18.239 1.980 380 HA3 GLY 49 HA3 GLY 49 4.399 17.456 1.060 381 H ASP 50 H ASP 50 1.242 18.954 0.919 382 HA ASP 50 HA ASP 50 0.318 20.220 -0.735 383 HB2 ASP 50 HB2 ASP 50 2.539 20.888 -1.444 384 HB3 ASP 50 HB3 ASP 50 2.744 19.390 -2.345 385 H THR 51 H THR 51 1.631 17.227 -2.242 386 HA THR 51 HA THR 51 -0.882 17.029 -3.773 387 HB THR 51 HB THR 51 1.239 17.135 -5.079 388 HG1 THR 51 HG1 THR 51 0.424 15.779 -6.541 389 HG21 THR 51 HG21 THR 51 2.709 15.191 -5.161 390 HG22 THR 51 HG22 THR 51 1.764 14.399 -3.899 391 HG23 THR 51 HG23 THR 51 2.675 15.863 -3.531 392 H SER 52 H SER 52 -1.717 14.873 -4.256 393 HA SER 52 HA SER 52 -1.075 12.782 -2.291 394 HB2 SER 52 HB2 SER 52 -3.490 12.322 -1.942 395 HB3 SER 52 HB3 SER 52 -3.040 13.932 -1.388 396 HG SER 52 HG SER 52 -4.174 13.404 -3.942 397 H VAL 53 H VAL 53 -0.310 11.216 -3.589 398 HA VAL 53 HA VAL 53 -1.471 10.787 -6.242 399 HB VAL 53 HB VAL 53 0.958 10.904 -6.087 400 HG11 VAL 53 HG11 VAL 53 0.777 8.473 -4.298 401 HG12 VAL 53 HG12 VAL 53 1.226 10.103 -3.792 402 HG13 VAL 53 HG13 VAL 53 2.264 9.209 -4.902 403 HG21 VAL 53 HG21 VAL 53 1.539 8.825 -7.260 404 HG22 VAL 53 HG22 VAL 53 0.009 9.488 -7.837 405 HG23 VAL 53 HG23 VAL 53 0.015 8.104 -6.742 406 H SER 54 H SER 54 -2.349 8.804 -6.939 407 HA SER 54 HA SER 54 -3.039 6.887 -4.793 408 HB2 SER 54 HB2 SER 54 -5.224 6.530 -5.914 409 HB3 SER 54 HB3 SER 54 -5.024 8.192 -5.363 410 HG SER 54 HG SER 54 -5.856 7.815 -7.593 411 H TYR 55 H TYR 55 -3.506 4.696 -5.503 412 HA TYR 55 HA TYR 55 -2.438 3.929 -8.135 413 HB2 TYR 55 HB2 TYR 55 -0.615 3.696 -6.448 414 HB3 TYR 55 HB3 TYR 55 -1.631 2.591 -5.533 415 HD1 TYR 55 HD1 TYR 55 -0.005 3.034 -8.852 416 HD2 TYR 55 HD2 TYR 55 -1.589 0.278 -6.014 417 HE1 TYR 55 HE1 TYR 55 0.901 1.167 -10.167 418 HE2 TYR 55 HE2 TYR 55 -0.686 -1.597 -7.325 419 HH TYR 55 HH TYR 55 1.597 -1.199 -9.772 420 H LYS 56 H LYS 56 -3.593 2.332 -9.113 421 HA LYS 56 HA LYS 56 -5.871 1.217 -7.617 422 HB2 LYS 56 HB2 LYS 56 -6.409 2.490 -9.636 423 HB3 LYS 56 HB3 LYS 56 -5.388 1.430 -10.596 424 HG2 LYS 56 HG2 LYS 56 -6.876 -0.443 -10.178 425 HG3 LYS 56 HG3 LYS 56 -7.868 0.553 -9.112 426 HD2 LYS 56 HD2 LYS 56 -8.899 0.350 -11.320 427 HD3 LYS 56 HD3 LYS 56 -8.432 2.019 -10.995 428 HE2 LYS 56 HE2 LYS 56 -6.366 1.649 -12.331 429 HE3 LYS 56 HE3 LYS 56 -6.946 0.030 -12.717 430 HZ1 LYS 56 HZ1 LYS 56 -8.898 1.054 -13.757 431 HZ2 LYS 56 HZ2 LYS 56 -7.459 1.543 -14.497 432 HZ3 LYS 56 HZ3 LYS 56 -8.266 2.589 -13.441 433 H TYR 57 H TYR 57 -6.047 -0.881 -7.184 434 HA TYR 57 HA TYR 57 -3.881 -2.670 -7.952 435 HB2 TYR 57 HB2 TYR 57 -6.185 -3.001 -6.021 436 HB3 TYR 57 HB3 TYR 57 -4.953 -4.225 -6.308 437 HD1 TYR 57 HD1 TYR 57 -5.464 -0.754 -5.067 438 HD2 TYR 57 HD2 TYR 57 -2.872 -4.130 -5.190 439 HE1 TYR 57 HE1 TYR 57 -4.027 0.289 -3.368 440 HE2 TYR 57 HE2 TYR 57 -1.432 -3.092 -3.492 441 HH TYR 57 HH TYR 57 -2.362 -0.384 -1.681 442 H THR 58 H THR 58 -4.601 -5.064 -8.319 443 HA THR 58 HA THR 58 -6.991 -5.322 -9.974 444 HB THR 58 HB THR 58 -5.468 -4.570 -11.661 445 HG1 THR 58 HG1 THR 58 -5.337 -6.518 -12.961 446 HG21 THR 58 HG21 THR 58 -3.543 -6.707 -10.716 447 HG22 THR 58 HG22 THR 58 -3.356 -4.971 -10.464 448 HG23 THR 58 HG23 THR 58 -3.307 -5.636 -12.096 449 H SER 59 H SER 59 -7.530 -7.512 -10.511 450 HA SER 59 HA SER 59 -6.715 -9.387 -8.436 451 HB2 SER 59 HB2 SER 59 -9.097 -9.174 -8.853 452 HB3 SER 59 HB3 SER 59 -8.876 -9.549 -10.561 453 HG SER 59 HG SER 59 -8.490 -11.635 -10.072 454 H ARG 60 H ARG 60 -4.489 -9.365 -9.647 455 HA ARG 60 HA ARG 60 -4.493 -11.435 -11.753 456 HB2 ARG 60 HB2 ARG 60 -2.324 -10.646 -12.431 457 HB3 ARG 60 HB3 ARG 60 -3.410 -9.268 -12.312 458 HG2 ARG 60 HG2 ARG 60 -2.423 -8.633 -10.189 459 HG3 ARG 60 HG3 ARG 60 -1.393 -10.066 -10.215 460 HD2 ARG 60 HD2 ARG 60 -0.120 -8.133 -10.912 461 HD3 ARG 60 HD3 ARG 60 -0.322 -9.231 -12.276 462 HE ARG 60 HE ARG 60 -2.378 -7.474 -12.547 463 HH11 ARG 60 HH11 ARG 60 1.051 -7.160 -12.328 464 HH12 ARG 60 HH12 ARG 60 1.070 -5.653 -13.173 465 HH21 ARG 60 HH21 ARG 60 -2.312 -5.539 -13.652 466 HH22 ARG 60 HH22 ARG 60 -0.792 -4.755 -13.899 467 H TYR 61 H TYR 61 -4.134 -11.256 -8.493 468 HA TYR 61 HA TYR 61 -2.717 -13.780 -8.361 469 HB2 TYR 61 HB2 TYR 61 -0.982 -13.036 -6.820 470 HB3 TYR 61 HB3 TYR 61 -0.866 -12.126 -8.322 471 HD1 TYR 61 HD1 TYR 61 -1.844 -9.766 -8.370 472 HD2 TYR 61 HD2 TYR 61 -1.209 -11.919 -4.752 473 HE1 TYR 61 HE1 TYR 61 -1.938 -7.659 -7.109 474 HE2 TYR 61 HE2 TYR 61 -1.304 -9.817 -3.480 475 HH TYR 61 HH TYR 61 -0.972 -7.411 -3.863 476 H VAL 62 H VAL 62 -3.080 -14.906 -6.402 477 HA VAL 62 HA VAL 62 -5.277 -13.825 -4.779 478 HB VAL 62 HB VAL 62 -4.167 -16.645 -4.833 479 HG11 VAL 62 HG11 VAL 62 -6.243 -17.240 -3.655 480 HG12 VAL 62 HG12 VAL 62 -6.694 -15.536 -3.595 481 HG13 VAL 62 HG13 VAL 62 -5.269 -16.103 -2.722 482 HG21 VAL 62 HG21 VAL 62 -6.648 -15.534 -6.159 483 HG22 VAL 62 HG22 VAL 62 -6.135 -17.223 -6.160 484 HG23 VAL 62 HG23 VAL 62 -5.163 -16.006 -6.987 485 H LEU 63 H LEU 63 -4.487 -12.573 -3.164 486 HA LEU 63 HA LEU 63 -1.990 -13.185 -1.839 487 HB2 LEU 63 HB2 LEU 63 -3.004 -10.857 -2.401 488 HB3 LEU 63 HB3 LEU 63 -3.951 -11.077 -0.945 489 HG LEU 63 HG LEU 63 -1.943 -9.685 -0.577 490 HD11 LEU 63 HD11 LEU 63 -2.859 -10.956 1.294 491 HD12 LEU 63 HD12 LEU 63 -1.109 -10.780 1.418 492 HD13 LEU 63 HD13 LEU 63 -1.807 -12.313 0.891 493 HD21 LEU 63 HD21 LEU 63 -0.391 -12.185 -1.254 494 HD22 LEU 63 HD22 LEU 63 0.288 -10.682 -0.625 495 HD23 LEU 63 HD23 LEU 63 -0.463 -10.712 -2.220 496 H LYS 64 H LYS 64 -1.952 -14.802 -0.421 497 HA LYS 64 HA LYS 64 -4.163 -15.826 0.991 498 HB2 LYS 64 HB2 LYS 64 -1.194 -16.148 1.466 499 HB3 LYS 64 HB3 LYS 64 -2.430 -17.081 2.302 500 HG2 LYS 64 HG2 LYS 64 -3.196 -17.971 0.140 501 HG3 LYS 64 HG3 LYS 64 -1.914 -17.069 -0.669 502 HD2 LYS 64 HD2 LYS 64 -0.217 -18.374 0.350 503 HD3 LYS 64 HD3 LYS 64 -1.350 -19.075 1.511 504 HE2 LYS 64 HE2 LYS 64 -1.418 -19.529 -1.477 505 HE3 LYS 64 HE3 LYS 64 -0.748 -20.652 -0.293 506 HZ1 LYS 64 HZ1 LYS 64 -3.035 -21.203 -0.961 507 HZ2 LYS 64 HZ2 LYS 64 -3.572 -19.732 -0.324 508 HZ3 LYS 64 HZ3 LYS 64 -2.902 -20.902 0.697 509 H ALA 65 H ALA 65 -4.911 -15.553 3.047 510 HA ALA 65 HA ALA 65 -4.532 -13.112 4.389 511 HB1 ALA 65 HB1 ALA 65 -5.650 -15.693 5.501 512 HB2 ALA 65 HB2 ALA 65 -6.561 -14.485 4.590 513 HB3 ALA 65 HB3 ALA 65 -5.888 -14.076 6.168 514 H GLY 66 H GLY 66 -3.041 -12.445 5.838 515 HA2 GLY 66 HA2 GLY 66 -1.580 -12.769 7.711 516 HA3 GLY 66 HA3 GLY 66 -1.377 -14.444 7.227 517 H GLN 67 H GLN 67 -1.116 -13.224 4.365 518 HA GLN 67 HA GLN 67 1.782 -12.807 4.529 519 HB2 GLN 67 HB2 GLN 67 -0.082 -13.558 2.281 520 HB3 GLN 67 HB3 GLN 67 1.541 -12.972 1.948 521 HG2 GLN 67 HG2 GLN 67 1.467 -15.393 1.916 522 HG3 GLN 67 HG3 GLN 67 2.491 -14.815 3.225 523 HE21 GLN 67 HE21 GLN 67 -1.003 -14.828 3.382 524 HE22 GLN 67 HE22 GLN 67 -1.130 -16.053 4.591 525 H THR 68 H THR 68 2.667 -11.194 2.843 526 HA THR 68 HA THR 68 1.121 -8.682 3.102 527 HB THR 68 HB THR 68 3.241 -7.485 3.356 528 HG1 THR 68 HG1 THR 68 5.018 -9.285 3.898 529 HG21 THR 68 HG21 THR 68 2.134 -8.276 5.391 530 HG22 THR 68 HG22 THR 68 3.887 -8.297 5.578 531 HG23 THR 68 HG23 THR 68 3.015 -9.801 5.287 532 H VAL 69 H VAL 69 2.032 -6.930 1.603 533 HA VAL 69 HA VAL 69 3.177 -7.924 -0.889 534 HB VAL 69 HB VAL 69 0.788 -8.062 -1.340 535 HG11 VAL 69 HG11 VAL 69 0.655 -5.144 -0.568 536 HG12 VAL 69 HG12 VAL 69 -0.051 -6.496 0.320 537 HG13 VAL 69 HG13 VAL 69 -0.663 -6.078 -1.279 538 HG21 VAL 69 HG21 VAL 69 0.651 -6.613 -3.305 539 HG22 VAL 69 HG22 VAL 69 2.245 -7.354 -3.171 540 HG23 VAL 69 HG23 VAL 69 2.015 -5.665 -2.712 541 H THR 70 H THR 70 4.695 -6.552 -1.638 542 HA THR 70 HA THR 70 5.011 -3.989 -0.252 543 HB THR 70 HB THR 70 6.959 -5.464 -2.044 544 HG1 THR 70 HG1 THR 70 8.015 -5.478 0.220 545 HG21 THR 70 HG21 THR 70 7.329 -3.036 -2.074 546 HG22 THR 70 HG22 THR 70 8.624 -3.870 -1.214 547 HG23 THR 70 HG23 THR 70 7.371 -3.020 -0.311 548 H ILE 71 H ILE 71 4.354 -2.166 -1.169 549 HA ILE 71 HA ILE 71 4.015 -1.968 -4.065 550 HB ILE 71 HB ILE 71 3.446 0.170 -1.992 551 HG12 ILE 71 HG12 ILE 71 2.134 -1.824 -1.447 552 HG13 ILE 71 HG13 ILE 71 1.086 -0.559 -2.077 553 HG21 ILE 71 HG21 ILE 71 1.972 1.102 -3.720 554 HG22 ILE 71 HG22 ILE 71 2.451 -0.186 -4.827 555 HG23 ILE 71 HG23 ILE 71 3.641 0.995 -4.278 556 HD11 ILE 71 HD11 ILE 71 1.047 -1.687 -4.245 557 HD12 ILE 71 HD12 ILE 71 0.464 -2.730 -2.948 558 HD13 ILE 71 HD13 ILE 71 2.089 -2.955 -3.596 559 H TRP 72 H TRP 72 6.049 -1.758 -4.967 560 HA TRP 72 HA TRP 72 8.072 -0.041 -3.821 561 HB2 TRP 72 HB2 TRP 72 7.961 -1.534 -6.452 562 HB3 TRP 72 HB3 TRP 72 9.362 -0.629 -5.888 563 HD1 TRP 72 HD1 TRP 72 7.387 -3.834 -5.177 564 HE1 TRP 72 HE1 TRP 72 8.854 -5.408 -3.766 565 HE3 TRP 72 HE3 TRP 72 11.280 -0.668 -4.232 566 HZ2 TRP 72 HZ2 TRP 72 11.340 -5.317 -2.424 567 HZ3 TRP 72 HZ3 TRP 72 13.167 -1.484 -2.878 568 HH2 TRP 72 HH2 TRP 72 13.197 -3.761 -1.991 569 H ALA 73 H ALA 73 9.172 1.646 -5.186 570 HA ALA 73 HA ALA 73 7.242 3.379 -6.510 571 HB1 ALA 73 HB1 ALA 73 8.888 4.339 -4.955 572 HB2 ALA 73 HB2 ALA 73 9.037 5.020 -6.576 573 HB3 ALA 73 HB3 ALA 73 10.191 3.808 -6.017 574 H ALA 74 H ALA 74 7.821 4.379 -8.655 575 HA ALA 74 HA ALA 74 7.935 2.472 -10.653 576 HB1 ALA 74 HB1 ALA 74 7.052 4.726 -10.979 577 HB2 ALA 74 HB2 ALA 74 8.221 4.309 -12.230 578 HB3 ALA 74 HB3 ALA 74 8.687 5.383 -10.912 579 H ASN 75 H ASN 75 10.648 4.063 -9.095 580 HA ASN 75 HA ASN 75 12.510 3.100 -11.155 581 HB2 ASN 75 HB2 ASN 75 13.063 4.900 -8.784 582 HB3 ASN 75 HB3 ASN 75 14.170 4.544 -10.106 583 HD21 ASN 75 HD21 ASN 75 13.331 7.103 -9.282 584 HD22 ASN 75 HD22 ASN 75 12.492 7.826 -10.609 585 H ALA 76 H ALA 76 11.197 1.407 -8.964 586 HA ALA 76 HA ALA 76 12.937 0.732 -6.922 587 HB1 ALA 76 HB1 ALA 76 11.097 -1.152 -8.397 588 HB2 ALA 76 HB2 ALA 76 10.622 -0.067 -7.090 589 HB3 ALA 76 HB3 ALA 76 11.754 -1.383 -6.776 590 H GLY 77 H GLY 77 12.802 -0.725 -10.189 591 HA2 GLY 77 HA2 GLY 77 14.620 -1.578 -11.414 592 HA3 GLY 77 HA3 GLY 77 15.617 -1.475 -9.972 593 H VAL 78 H VAL 78 12.730 -2.944 -9.194 594 HA VAL 78 HA VAL 78 13.974 -5.584 -9.102 595 HB VAL 78 HB VAL 78 12.046 -6.230 -7.713 596 HG11 VAL 78 HG11 VAL 78 12.521 -4.813 -5.782 597 HG12 VAL 78 HG12 VAL 78 13.274 -3.612 -6.832 598 HG13 VAL 78 HG13 VAL 78 14.005 -5.207 -6.651 599 HG21 VAL 78 HG21 VAL 78 10.385 -4.526 -7.022 600 HG22 VAL 78 HG22 VAL 78 10.301 -4.885 -8.747 601 HG23 VAL 78 HG23 VAL 78 11.077 -3.401 -8.192 602 H THR 79 H THR 79 11.752 -7.256 -9.234 603 HA THR 79 HA THR 79 11.345 -7.841 -11.887 604 HB THR 79 HB THR 79 9.360 -8.290 -9.636 605 HG1 THR 79 HG1 THR 79 10.410 -10.278 -9.417 606 HG21 THR 79 HG21 THR 79 8.309 -8.584 -11.841 607 HG22 THR 79 HG22 THR 79 8.496 -10.132 -11.013 608 HG23 THR 79 HG23 THR 79 9.603 -9.685 -12.313 609 H ALA 80 H ALA 80 10.104 -7.088 -13.518 610 HA ALA 80 HA ALA 80 9.262 -4.452 -13.497 611 HB1 ALA 80 HB1 ALA 80 8.343 -4.873 -15.712 612 HB2 ALA 80 HB2 ALA 80 8.423 -6.612 -15.426 613 HB3 ALA 80 HB3 ALA 80 9.908 -5.665 -15.514 614 H SER 81 H SER 81 7.306 -7.330 -12.815 615 HA SER 81 HA SER 81 5.139 -5.657 -11.877 616 HB2 SER 81 HB2 SER 81 4.653 -5.667 -14.271 617 HB3 SER 81 HB3 SER 81 4.719 -7.427 -14.303 618 HG SER 81 HG SER 81 2.628 -7.152 -14.037 619 HA PRO 82 HA PRO 82 4.000 -9.129 -9.152 620 HB2 PRO 82 HB2 PRO 82 1.221 -8.775 -9.583 621 HB3 PRO 82 HB3 PRO 82 2.180 -8.063 -8.284 622 HG2 PRO 82 HG2 PRO 82 1.340 -6.880 -10.890 623 HG3 PRO 82 HG3 PRO 82 1.495 -6.110 -9.302 624 HD2 PRO 82 HD2 PRO 82 3.315 -5.695 -11.183 625 HD3 PRO 82 HD3 PRO 82 3.810 -5.912 -9.490 626 HA PRO 83 HA PRO 83 1.134 -11.860 -9.109 627 HB2 PRO 83 HB2 PRO 83 3.910 -12.888 -8.663 628 HB3 PRO 83 HB3 PRO 83 2.357 -13.685 -8.381 629 HG2 PRO 83 HG2 PRO 83 3.890 -13.911 -10.697 630 HG3 PRO 83 HG3 PRO 83 2.171 -14.316 -10.561 631 HD2 PRO 83 HD2 PRO 83 3.289 -12.269 -12.153 632 HD3 PRO 83 HD3 PRO 83 1.569 -12.476 -11.769 633 H THR 84 H THR 84 4.461 -11.294 -7.831 634 HA THR 84 HA THR 84 3.119 -10.818 -5.321 635 HB THR 84 HB THR 84 5.342 -10.856 -4.277 636 HG1 THR 84 HG1 THR 84 7.047 -10.442 -5.446 637 HG21 THR 84 HG21 THR 84 5.916 -13.167 -4.834 638 HG22 THR 84 HG22 THR 84 4.938 -13.069 -6.298 639 HG23 THR 84 HG23 THR 84 4.169 -12.968 -4.713 640 H ASP 85 H ASP 85 5.996 -9.001 -6.370 641 HA ASP 85 HA ASP 85 5.210 -6.829 -4.690 642 HB2 ASP 85 HB2 ASP 85 7.525 -7.125 -6.615 643 HB3 ASP 85 HB3 ASP 85 7.337 -5.798 -5.472 644 H LEU 86 H LEU 86 4.008 -5.136 -5.170 645 HA LEU 86 HA LEU 86 3.235 -4.591 -7.936 646 HB2 LEU 86 HB2 LEU 86 2.187 -3.789 -5.243 647 HB3 LEU 86 HB3 LEU 86 1.728 -2.863 -6.659 648 HG LEU 86 HG LEU 86 1.325 -5.842 -6.637 649 HD11 LEU 86 HD11 LEU 86 0.313 -5.038 -4.561 650 HD12 LEU 86 HD12 LEU 86 -0.916 -5.522 -5.727 651 HD13 LEU 86 HD13 LEU 86 -0.577 -3.810 -5.462 652 HD21 LEU 86 HD21 LEU 86 1.031 -4.620 -8.738 653 HD22 LEU 86 HD22 LEU 86 -0.137 -3.548 -7.960 654 HD23 LEU 86 HD23 LEU 86 -0.505 -5.263 -8.158 655 H ILE 87 H ILE 87 4.484 -3.225 -9.060 656 HA ILE 87 HA ILE 87 5.997 -1.135 -7.731 657 HB ILE 87 HB ILE 87 5.841 -1.889 -10.662 658 HG12 ILE 87 HG12 ILE 87 8.253 -2.566 -10.242 659 HG13 ILE 87 HG13 ILE 87 7.945 -2.341 -8.525 660 HG21 ILE 87 HG21 ILE 87 7.745 -0.358 -10.989 661 HG22 ILE 87 HG22 ILE 87 7.584 0.180 -9.316 662 HG23 ILE 87 HG23 ILE 87 6.289 0.492 -10.472 663 HD11 ILE 87 HD11 ILE 87 7.824 -4.679 -9.176 664 HD12 ILE 87 HD12 ILE 87 6.537 -4.304 -10.320 665 HD13 ILE 87 HD13 ILE 87 6.263 -4.102 -8.589 666 H TRP 88 H TRP 88 5.168 0.791 -7.320 667 HA TRP 88 HA TRP 88 2.721 1.767 -8.386 668 HB2 TRP 88 HB2 TRP 88 3.878 2.301 -6.120 669 HB3 TRP 88 HB3 TRP 88 4.797 3.493 -7.029 670 HD1 TRP 88 HD1 TRP 88 2.197 4.457 -8.831 671 HE1 TRP 88 HE1 TRP 88 0.463 5.979 -7.685 672 HE3 TRP 88 HE3 TRP 88 3.314 3.424 -3.950 673 HZ2 TRP 88 HZ2 TRP 88 -0.318 6.658 -5.060 674 HZ3 TRP 88 HZ3 TRP 88 2.029 4.557 -2.181 675 HH2 TRP 88 HH2 TRP 88 0.251 6.141 -2.726 676 H LYS 89 H LYS 89 3.228 1.584 -10.694 677 HA LYS 89 HA LYS 89 5.281 3.209 -11.864 678 HB2 LYS 89 HB2 LYS 89 2.993 1.664 -13.100 679 HB3 LYS 89 HB3 LYS 89 4.230 2.499 -14.034 680 HG2 LYS 89 HG2 LYS 89 5.958 1.093 -13.019 681 HG3 LYS 89 HG3 LYS 89 4.721 0.251 -12.079 682 HD2 LYS 89 HD2 LYS 89 3.689 -0.563 -14.142 683 HD3 LYS 89 HD3 LYS 89 4.866 0.337 -15.104 684 HE2 LYS 89 HE2 LYS 89 5.515 -1.909 -13.184 685 HE3 LYS 89 HE3 LYS 89 5.434 -2.053 -14.941 686 HZ1 LYS 89 HZ1 LYS 89 7.224 -0.391 -15.076 687 HZ2 LYS 89 HZ2 LYS 89 7.704 -1.794 -14.267 688 HZ3 LYS 89 HZ3 LYS 89 7.352 -0.392 -13.392 689 H ASN 90 H ASN 90 3.177 4.617 -10.275 690 HA ASN 90 HA ASN 90 2.334 6.543 -12.349 691 HB2 ASN 90 HB2 ASN 90 1.038 6.084 -9.652 692 HB3 ASN 90 HB3 ASN 90 0.484 7.191 -10.901 693 HD21 ASN 90 HD21 ASN 90 1.106 5.228 -13.043 694 HD22 ASN 90 HD22 ASN 90 -0.165 4.060 -12.957 695 H GLN 91 H GLN 91 4.550 6.049 -9.961 696 HA GLN 91 HA GLN 91 5.275 8.844 -9.882 697 HB2 GLN 91 HB2 GLN 91 3.665 8.640 -7.976 698 HB3 GLN 91 HB3 GLN 91 4.718 7.421 -7.263 699 HG2 GLN 91 HG2 GLN 91 6.543 9.273 -7.442 700 HG3 GLN 91 HG3 GLN 91 5.170 10.367 -7.576 701 HE21 GLN 91 HE21 GLN 91 7.159 10.196 -5.490 702 HE22 GLN 91 HE22 GLN 91 6.309 9.887 -4.023 703 H ASN 92 H ASN 92 7.449 9.160 -9.412 704 HA ASN 92 HA ASN 92 9.155 6.814 -9.406 705 HB2 ASN 92 HB2 ASN 92 9.928 9.740 -9.243 706 HB3 ASN 92 HB3 ASN 92 10.983 8.393 -9.662 707 HD21 ASN 92 HD21 ASN 92 10.720 7.385 -11.690 708 HD22 ASN 92 HD22 ASN 92 9.889 8.177 -12.979 709 H SER 93 H SER 93 11.326 7.652 -7.847 710 HA SER 93 HA SER 93 10.469 6.791 -5.262 711 HB2 SER 93 HB2 SER 93 12.687 6.190 -6.077 712 HB3 SER 93 HB3 SER 93 13.142 7.888 -6.179 713 HG SER 93 HG SER 93 12.415 6.557 -3.767 714 H TRP 94 H TRP 94 10.375 7.890 -3.317 715 HA TRP 94 HA TRP 94 10.507 10.841 -3.439 716 HB2 TRP 94 HB2 TRP 94 8.668 10.900 -1.770 717 HB3 TRP 94 HB3 TRP 94 8.174 10.151 -3.283 718 HD1 TRP 94 HD1 TRP 94 8.703 9.370 0.417 719 HE1 TRP 94 HE1 TRP 94 7.716 7.049 0.928 720 HE3 TRP 94 HE3 TRP 94 7.679 7.845 -4.362 721 HZ2 TRP 94 HZ2 TRP 94 6.638 4.867 -0.500 722 HZ3 TRP 94 HZ3 TRP 94 6.667 5.625 -4.700 723 HH2 TRP 94 HH2 TRP 94 6.159 4.170 -2.806 724 H GLY 95 H GLY 95 10.375 11.574 -0.869 725 HA2 GLY 95 HA2 GLY 95 11.246 10.487 1.313 726 HA3 GLY 95 HA3 GLY 95 12.702 10.233 0.367 727 H THR 96 H THR 96 10.513 13.042 0.670 728 HA THR 96 HA THR 96 12.717 14.866 0.925 729 HB THR 96 HB THR 96 10.686 15.637 -0.154 730 HG1 THR 96 HG1 THR 96 12.002 17.093 1.278 731 HG21 THR 96 HG21 THR 96 8.607 15.998 1.131 732 HG22 THR 96 HG22 THR 96 9.339 15.186 2.517 733 HG23 THR 96 HG23 THR 96 9.037 14.291 1.028 734 H GLY 97 H GLY 97 10.879 13.019 3.188 735 HA2 GLY 97 HA2 GLY 97 11.516 12.727 5.450 736 HA3 GLY 97 HA3 GLY 97 12.327 14.284 5.406 737 H GLU 98 H GLU 98 9.325 14.652 4.022 738 HA GLU 98 HA GLU 98 8.248 15.957 6.380 739 HB2 GLU 98 HB2 GLU 98 7.122 15.703 3.577 740 HB3 GLU 98 HB3 GLU 98 6.473 16.733 4.846 741 HG2 GLU 98 HG2 GLU 98 9.232 16.997 3.651 742 HG3 GLU 98 HG3 GLU 98 7.829 17.951 3.176 743 H ASP 99 H ASP 99 5.762 15.662 6.702 744 HA ASP 99 HA ASP 99 5.358 12.993 7.574 745 HB2 ASP 99 HB2 ASP 99 3.051 13.819 8.181 746 HB3 ASP 99 HB3 ASP 99 4.387 14.733 8.872 747 H VAL 100 H VAL 100 3.969 11.392 6.865 748 HA VAL 100 HA VAL 100 2.707 11.751 4.230 749 HB VAL 100 HB VAL 100 4.846 10.694 3.789 750 HG11 VAL 100 HG11 VAL 100 3.999 8.586 5.779 751 HG12 VAL 100 HG12 VAL 100 5.322 9.738 5.964 752 HG13 VAL 100 HG13 VAL 100 5.411 8.482 4.729 753 HG21 VAL 100 HG21 VAL 100 2.564 8.724 3.584 754 HG22 VAL 100 HG22 VAL 100 4.082 8.621 2.691 755 HG23 VAL 100 HG23 VAL 100 2.983 9.971 2.408 756 H LYS 101 H LYS 101 0.735 10.875 4.039 757 HA LYS 101 HA LYS 101 -0.241 9.066 6.164 758 HB2 LYS 101 HB2 LYS 101 -1.041 11.514 6.181 759 HB3 LYS 101 HB3 LYS 101 -1.948 11.106 4.733 760 HG2 LYS 101 HG2 LYS 101 -3.184 9.397 5.992 761 HG3 LYS 101 HG3 LYS 101 -2.267 9.813 7.443 762 HD2 LYS 101 HD2 LYS 101 -3.137 12.183 7.155 763 HD3 LYS 101 HD3 LYS 101 -4.231 11.538 5.932 764 HE2 LYS 101 HE2 LYS 101 -4.113 10.740 8.843 765 HE3 LYS 101 HE3 LYS 101 -5.363 11.716 8.074 766 HZ1 LYS 101 HZ1 LYS 101 -5.870 9.770 6.660 767 HZ2 LYS 101 HZ2 LYS 101 -6.151 9.497 8.304 768 HZ3 LYS 101 HZ3 LYS 101 -4.774 8.855 7.568 769 H VAL 102 H VAL 102 -0.608 7.098 5.290 770 HA VAL 102 HA VAL 102 -1.367 6.888 2.458 771 HB VAL 102 HB VAL 102 0.570 5.568 3.114 772 HG11 VAL 102 HG11 VAL 102 0.062 5.249 5.472 773 HG12 VAL 102 HG12 VAL 102 0.387 3.703 4.690 774 HG13 VAL 102 HG13 VAL 102 -1.274 4.173 5.056 775 HG21 VAL 102 HG21 VAL 102 -0.147 3.368 2.302 776 HG22 VAL 102 HG22 VAL 102 -0.861 4.672 1.353 777 HG23 VAL 102 HG23 VAL 102 -1.833 3.822 2.555 778 H ILE 103 H ILE 103 -3.296 6.059 1.787 779 HA ILE 103 HA ILE 103 -5.266 5.327 3.867 780 HB ILE 103 HB ILE 103 -5.949 6.952 1.413 781 HG12 ILE 103 HG12 ILE 103 -4.342 8.251 2.761 782 HG13 ILE 103 HG13 ILE 103 -5.947 8.968 2.797 783 HG21 ILE 103 HG21 ILE 103 -7.805 5.789 2.426 784 HG22 ILE 103 HG22 ILE 103 -7.961 7.520 2.718 785 HG23 ILE 103 HG23 ILE 103 -7.404 6.455 4.010 786 HD11 ILE 103 HD11 ILE 103 -6.315 8.005 5.015 787 HD12 ILE 103 HD12 ILE 103 -4.899 9.055 4.970 788 HD13 ILE 103 HD13 ILE 103 -4.698 7.303 4.970 789 H LEU 104 H LEU 104 -6.574 3.592 3.412 790 HA LEU 104 HA LEU 104 -6.401 2.411 0.706 791 HB2 LEU 104 HB2 LEU 104 -7.013 1.102 3.363 792 HB3 LEU 104 HB3 LEU 104 -7.119 0.284 1.814 793 HG LEU 104 HG LEU 104 -4.608 1.405 3.074 794 HD11 LEU 104 HD11 LEU 104 -5.521 -1.433 2.588 795 HD12 LEU 104 HD12 LEU 104 -5.337 -0.632 4.150 796 HD13 LEU 104 HD13 LEU 104 -3.918 -0.961 3.156 797 HD21 LEU 104 HD21 LEU 104 -4.969 -0.039 0.445 798 HD22 LEU 104 HD22 LEU 104 -3.429 0.419 1.176 799 HD23 LEU 104 HD23 LEU 104 -4.556 1.665 0.649 800 H LYS 105 H LYS 105 -8.109 2.991 -0.479 801 HA LYS 105 HA LYS 105 -10.791 2.955 0.767 802 HB2 LYS 105 HB2 LYS 105 -9.805 4.732 -1.479 803 HB3 LYS 105 HB3 LYS 105 -11.453 4.690 -0.865 804 HG2 LYS 105 HG2 LYS 105 -10.637 5.435 1.335 805 HG3 LYS 105 HG3 LYS 105 -9.000 5.523 0.683 806 HD2 LYS 105 HD2 LYS 105 -9.792 7.183 -0.983 807 HD3 LYS 105 HD3 LYS 105 -11.388 7.136 -0.232 808 HE2 LYS 105 HE2 LYS 105 -8.817 7.993 1.104 809 HE3 LYS 105 HE3 LYS 105 -10.093 9.065 0.534 810 HZ1 LYS 105 HZ1 LYS 105 -10.358 8.784 2.857 811 HZ2 LYS 105 HZ2 LYS 105 -10.262 7.099 2.751 812 HZ3 LYS 105 HZ3 LYS 105 -11.602 7.912 2.120 813 H ASN 106 H ASN 106 -12.581 2.672 -0.869 814 HA ASN 106 HA ASN 106 -11.853 0.560 -2.805 815 HB2 ASN 106 HB2 ASN 106 -14.481 0.919 -1.352 816 HB3 ASN 106 HB3 ASN 106 -14.051 -0.416 -2.413 817 HD21 ASN 106 HD21 ASN 106 -12.601 -1.977 -1.675 818 HD22 ASN 106 HD22 ASN 106 -12.217 -2.143 -0.001 819 H SER 107 H SER 107 -14.036 0.283 -4.298 820 HA SER 107 HA SER 107 -13.693 2.278 -6.222 821 HB2 SER 107 HB2 SER 107 -14.415 -0.001 -6.774 822 HB3 SER 107 HB3 SER 107 -15.971 0.296 -6.003 823 HG SER 107 HG SER 107 -16.363 0.716 -8.089 824 H GLN 108 H GLN 108 -16.333 1.949 -3.833 825 HA GLN 108 HA GLN 108 -17.891 4.075 -4.962 826 HB2 GLN 108 HB2 GLN 108 -18.017 2.908 -2.174 827 HB3 GLN 108 HB3 GLN 108 -19.207 3.992 -2.877 828 HG2 GLN 108 HG2 GLN 108 -19.443 2.174 -4.700 829 HG3 GLN 108 HG3 GLN 108 -18.648 1.126 -3.527 830 HE21 GLN 108 HE21 GLN 108 -19.704 0.758 -1.506 831 HE22 GLN 108 HE22 GLN 108 -21.411 0.974 -1.352 832 H GLY 109 H GLY 109 -14.989 4.234 -3.323 833 HA2 GLY 109 HA2 GLY 109 -13.909 6.175 -2.539 834 HA3 GLY 109 HA3 GLY 109 -15.465 6.989 -2.448 835 H GLU 110 H GLU 110 -15.964 4.064 -1.091 836 HA GLU 110 HA GLU 110 -15.919 4.902 1.620 837 HB2 GLU 110 HB2 GLU 110 -16.379 2.477 2.099 838 HB3 GLU 110 HB3 GLU 110 -17.482 3.196 0.933 839 HG2 GLU 110 HG2 GLU 110 -16.214 2.183 -0.898 840 HG3 GLU 110 HG3 GLU 110 -15.107 1.463 0.265 841 H GLU 111 H GLU 111 -14.681 3.513 3.321 842 HA GLU 111 HA GLU 111 -11.900 3.129 2.409 843 HB2 GLU 111 HB2 GLU 111 -12.175 5.385 3.380 844 HB3 GLU 111 HB3 GLU 111 -12.757 4.662 4.874 845 HG2 GLU 111 HG2 GLU 111 -10.583 3.588 5.207 846 HG3 GLU 111 HG3 GLU 111 -10.003 4.293 3.696 847 H VAL 112 H VAL 112 -10.830 1.429 3.280 848 HA VAL 112 HA VAL 112 -12.258 -0.231 5.240 849 HB VAL 112 HB VAL 112 -10.595 -1.992 4.696 850 HG11 VAL 112 HG11 VAL 112 -11.414 -2.467 2.430 851 HG12 VAL 112 HG12 VAL 112 -12.001 -0.809 2.296 852 HG13 VAL 112 HG13 VAL 112 -12.712 -1.903 3.484 853 HG21 VAL 112 HG21 VAL 112 -8.716 -0.539 4.089 854 HG22 VAL 112 HG22 VAL 112 -9.582 -0.017 2.643 855 HG23 VAL 112 HG23 VAL 112 -9.071 -1.697 2.809 856 H ALA 113 H ALA 113 -9.137 1.415 4.810 857 HA ALA 113 HA ALA 113 -8.703 1.659 7.621 858 HB1 ALA 113 HB1 ALA 113 -6.907 -0.280 6.153 859 HB2 ALA 113 HB2 ALA 113 -8.105 -0.708 7.376 860 HB3 ALA 113 HB3 ALA 113 -6.705 0.270 7.818 861 H GLN 114 H GLN 114 -6.482 2.589 8.079 862 HA GLN 114 HA GLN 114 -4.997 3.726 5.882 863 HB2 GLN 114 HB2 GLN 114 -5.377 6.084 6.510 864 HB3 GLN 114 HB3 GLN 114 -6.859 5.308 5.966 865 HG2 GLN 114 HG2 GLN 114 -7.504 4.982 8.334 866 HG3 GLN 114 HG3 GLN 114 -6.061 5.871 8.816 867 HE21 GLN 114 HE21 GLN 114 -8.864 6.488 9.304 868 HE22 GLN 114 HE22 GLN 114 -9.141 8.048 8.627 869 H ARG 115 H ARG 115 -3.135 5.077 6.702 870 HA ARG 115 HA ARG 115 -2.427 4.881 9.479 871 HB2 ARG 115 HB2 ARG 115 -1.687 2.711 7.714 872 HB3 ARG 115 HB3 ARG 115 -0.242 3.516 8.306 873 HG2 ARG 115 HG2 ARG 115 -1.410 3.273 10.637 874 HG3 ARG 115 HG3 ARG 115 -2.332 2.010 9.818 875 HD2 ARG 115 HD2 ARG 115 -0.372 1.072 10.930 876 HD3 ARG 115 HD3 ARG 115 -0.243 0.901 9.178 877 HE ARG 115 HE ARG 115 1.028 3.280 10.114 878 HH11 ARG 115 HH11 ARG 115 1.447 -0.120 9.799 879 HH12 ARG 115 HH12 ARG 115 3.170 -0.019 9.774 880 HH21 ARG 115 HH21 ARG 115 3.228 3.420 10.028 881 HH22 ARG 115 HH22 ARG 115 4.188 1.985 9.885 882 H SER 116 H SER 116 0.044 5.312 9.717 883 HA SER 116 HA SER 116 1.203 6.991 7.626 884 HB2 SER 116 HB2 SER 116 1.691 8.826 9.197 885 HB3 SER 116 HB3 SER 116 -0.048 8.572 9.082 886 HG SER 116 HG SER 116 1.645 8.258 11.231 887 H THR 117 H THR 117 3.457 7.873 8.850 888 HA THR 117 HA THR 117 4.929 5.468 9.483 889 HB THR 117 HB THR 117 6.865 7.048 9.833 890 HG1 THR 117 HG1 THR 117 6.561 9.171 9.724 891 HG21 THR 117 HG21 THR 117 5.361 7.294 7.220 892 HG22 THR 117 HG22 THR 117 6.499 6.019 7.654 893 HG23 THR 117 HG23 THR 117 7.067 7.678 7.453 894 H VAL 118 H VAL 118 5.775 4.848 11.463 895 HA VAL 118 HA VAL 118 4.485 5.900 13.815 896 HB VAL 118 HB VAL 118 4.812 3.515 13.699 897 HG11 VAL 118 HG11 VAL 118 6.791 3.447 12.262 898 HG12 VAL 118 HG12 VAL 118 7.015 2.457 13.704 899 HG13 VAL 118 HG13 VAL 118 7.787 4.038 13.595 900 HG21 VAL 118 HG21 VAL 118 4.886 4.536 15.927 901 HG22 VAL 118 HG22 VAL 118 6.639 4.690 15.804 902 HG23 VAL 118 HG23 VAL 118 5.894 3.092 15.850 903 H PHE 119 H PHE 119 5.167 7.877 14.466 904 HA PHE 119 HA PHE 119 8.042 8.453 14.497 905 HB2 PHE 119 HB2 PHE 119 7.319 10.833 14.870 906 HB3 PHE 119 HB3 PHE 119 6.800 10.133 13.343 907 HD1 PHE 119 HD1 PHE 119 4.406 9.398 13.085 908 HD2 PHE 119 HD2 PHE 119 5.741 11.675 16.435 909 HE1 PHE 119 HE1 PHE 119 2.083 10.038 13.574 910 HE2 PHE 119 HE2 PHE 119 3.415 12.316 16.924 911 HZ PHE 119 HZ PHE 119 1.585 11.495 15.494 912 H LYS 120 H LYS 120 8.946 7.687 16.327 913 HA LYS 120 HA LYS 120 7.689 8.067 18.918 914 HB2 LYS 120 HB2 LYS 120 10.386 6.946 18.120 915 HB3 LYS 120 HB3 LYS 120 9.826 7.050 19.785 916 HG2 LYS 120 HG2 LYS 120 7.964 5.559 19.268 917 HG3 LYS 120 HG3 LYS 120 8.484 5.476 17.583 918 HD2 LYS 120 HD2 LYS 120 9.223 3.499 18.799 919 HD3 LYS 120 HD3 LYS 120 10.613 4.465 18.300 920 HE2 LYS 120 HE2 LYS 120 10.918 3.680 20.575 921 HE3 LYS 120 HE3 LYS 120 10.730 5.431 20.566 922 HZ1 LYS 120 HZ1 LYS 120 8.423 5.151 21.228 923 HZ2 LYS 120 HZ2 LYS 120 9.457 4.410 22.341 924 HZ3 LYS 120 HZ3 LYS 120 8.602 3.471 21.228 925 H THR 121 H THR 121 7.950 9.806 20.187 926 HA THR 121 HA THR 121 9.440 12.061 19.261 927 HB THR 121 HB THR 121 8.113 11.684 21.962 928 HG1 THR 121 HG1 THR 121 6.313 12.617 21.003 929 HG21 THR 121 HG21 THR 121 8.907 14.203 20.485 930 HG22 THR 121 HG22 THR 121 9.704 13.559 21.921 931 HG23 THR 121 HG23 THR 121 8.041 14.135 22.020 932 H THR 122 H THR 122 11.608 11.325 19.177 933 HA THR 122 HA THR 122 13.056 11.646 21.693 934 HB THR 122 HB THR 122 13.412 9.151 20.004 935 HG1 THR 122 HG1 THR 122 12.050 9.728 22.372 936 HG21 THR 122 HG21 THR 122 15.043 8.478 21.731 937 HG22 THR 122 HG22 THR 122 14.865 10.055 22.502 938 HG23 THR 122 HG23 THR 122 15.556 9.937 20.884 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -24.193 -26.620 0.815 2 H2 MET 1 H2 MET 1 -25.780 -26.721 0.242 3 H3 MET 1 H3 MET 1 -24.486 -26.868 -0.833 4 HA MET 1 HA MET 1 -25.449 -29.018 -0.390 5 HB2 MET 1 HB2 MET 1 -23.008 -28.778 -0.814 6 HB3 MET 1 HB3 MET 1 -22.734 -28.673 0.918 7 HG2 MET 1 HG2 MET 1 -23.977 -31.061 -0.433 8 HG3 MET 1 HG3 MET 1 -22.250 -30.898 -0.118 9 HE1 MET 1 HE1 MET 1 -23.857 -33.407 0.885 10 HE2 MET 1 HE2 MET 1 -23.266 -33.566 2.540 11 HE3 MET 1 HE3 MET 1 -22.150 -33.147 1.241 12 H GLY 2 H GLY 2 -26.798 -30.033 0.978 13 HA2 GLY 2 HA2 GLY 2 -27.925 -30.601 2.899 14 HA3 GLY 2 HA3 GLY 2 -26.350 -30.592 3.676 15 H HIS 3 H HIS 3 -26.027 -29.129 5.247 16 HA HIS 3 HA HIS 3 -27.339 -26.518 5.085 17 HB2 HIS 3 HB2 HIS 3 -28.750 -28.084 6.517 18 HB3 HIS 3 HB3 HIS 3 -27.409 -28.121 7.656 19 HD1 HIS 3 HD1 HIS 3 -27.034 -26.040 9.110 20 HD2 HIS 3 HD2 HIS 3 -30.186 -25.648 6.432 21 HE1 HIS 3 HE1 HIS 3 -28.253 -23.963 9.808 22 HE2 HIS 3 HE2 HIS 3 -30.273 -23.879 8.319 23 H HIS 4 H HIS 4 -24.671 -27.214 4.561 24 HA HIS 4 HA HIS 4 -23.139 -26.264 6.888 25 HB2 HIS 4 HB2 HIS 4 -22.339 -27.601 4.307 26 HB3 HIS 4 HB3 HIS 4 -21.152 -26.821 5.343 27 HD1 HIS 4 HD1 HIS 4 -20.001 -28.439 6.781 28 HD2 HIS 4 HD2 HIS 4 -23.925 -29.589 6.051 29 HE1 HIS 4 HE1 HIS 4 -20.289 -30.627 7.966 30 HE2 HIS 4 HE2 HIS 4 -22.701 -31.238 7.625 31 H HIS 5 H HIS 5 -24.767 -24.709 4.552 32 HA HIS 5 HA HIS 5 -22.725 -23.099 3.352 33 HB2 HIS 5 HB2 HIS 5 -24.991 -23.573 2.332 34 HB3 HIS 5 HB3 HIS 5 -25.679 -22.448 3.499 35 HD1 HIS 5 HD1 HIS 5 -23.887 -22.606 0.277 36 HD2 HIS 5 HD2 HIS 5 -24.875 -19.706 3.090 37 HE1 HIS 5 HE1 HIS 5 -23.505 -20.404 -0.861 38 HE2 HIS 5 HE2 HIS 5 -24.131 -18.663 0.839 39 H HIS 6 H HIS 6 -21.495 -21.969 4.757 40 HA HIS 6 HA HIS 6 -22.854 -20.078 6.582 41 HB2 HIS 6 HB2 HIS 6 -21.017 -20.433 8.209 42 HB3 HIS 6 HB3 HIS 6 -21.952 -21.893 7.912 43 HD1 HIS 6 HD1 HIS 6 -20.750 -23.874 6.849 44 HD2 HIS 6 HD2 HIS 6 -18.341 -20.513 7.239 45 HE1 HIS 6 HE1 HIS 6 -18.419 -24.670 6.412 46 HE2 HIS 6 HE2 HIS 6 -17.004 -22.595 6.482 47 H HIS 7 H HIS 7 -21.639 -19.729 3.838 48 HA HIS 7 HA HIS 7 -19.275 -18.195 4.090 49 HB2 HIS 7 HB2 HIS 7 -19.983 -19.105 1.934 50 HB3 HIS 7 HB3 HIS 7 -21.419 -18.088 1.949 51 HD1 HIS 7 HD1 HIS 7 -17.685 -17.904 1.513 52 HD2 HIS 7 HD2 HIS 7 -21.023 -15.468 1.100 53 HE1 HIS 7 HE1 HIS 7 -16.867 -15.840 0.352 54 HE2 HIS 7 HE2 HIS 7 -18.931 -14.461 -0.041 55 H HIS 8 H HIS 8 -19.315 -16.594 5.615 56 HA HIS 8 HA HIS 8 -21.446 -14.568 5.506 57 HB2 HIS 8 HB2 HIS 8 -19.198 -14.878 7.520 58 HB3 HIS 8 HB3 HIS 8 -20.544 -13.749 7.635 59 HD1 HIS 8 HD1 HIS 8 -22.990 -15.001 7.775 60 HD2 HIS 8 HD2 HIS 8 -19.642 -17.245 8.777 61 HE1 HIS 8 HE1 HIS 8 -23.860 -16.954 9.082 62 HE2 HIS 8 HE2 HIS 8 -21.837 -18.371 9.552 63 H SER 9 H SER 9 -21.104 -12.861 4.190 64 HA SER 9 HA SER 9 -18.318 -11.947 3.770 65 HB2 SER 9 HB2 SER 9 -19.439 -12.841 1.739 66 HB3 SER 9 HB3 SER 9 -20.675 -11.593 1.897 67 HG SER 9 HG SER 9 -19.331 -10.160 1.107 68 H HIS 10 H HIS 10 -18.489 -10.608 5.685 69 HA HIS 10 HA HIS 10 -19.831 -8.039 5.107 70 HB2 HIS 10 HB2 HIS 10 -19.731 -9.471 7.775 71 HB3 HIS 10 HB3 HIS 10 -20.231 -7.793 7.575 72 HD1 HIS 10 HD1 HIS 10 -22.620 -7.379 6.945 73 HD2 HIS 10 HD2 HIS 10 -21.530 -11.369 6.509 74 HE1 HIS 10 HE1 HIS 10 -24.750 -8.610 6.446 75 HE2 HIS 10 HE2 HIS 10 -24.072 -11.015 6.177 76 H MET 11 H MET 11 -18.410 -6.453 4.953 77 HA MET 11 HA MET 11 -16.571 -5.153 5.155 78 HB2 MET 11 HB2 MET 11 -16.398 -6.443 7.885 79 HB3 MET 11 HB3 MET 11 -15.454 -5.046 7.378 80 HG2 MET 11 HG2 MET 11 -18.457 -5.192 7.602 81 HG3 MET 11 HG3 MET 11 -17.357 -4.349 8.694 82 HE1 MET 11 HE1 MET 11 -19.930 -3.046 7.241 83 HE2 MET 11 HE2 MET 11 -19.286 -1.468 6.784 84 HE3 MET 11 HE3 MET 11 -18.911 -2.150 8.367 85 H THR 12 H THR 12 -14.964 -5.587 3.801 86 HA THR 12 HA THR 12 -13.462 -8.092 4.034 87 HB THR 12 HB THR 12 -14.358 -7.533 1.826 88 HG1 THR 12 HG1 THR 12 -11.682 -7.166 1.278 89 HG21 THR 12 HG21 THR 12 -13.426 -5.656 0.529 90 HG22 THR 12 HG22 THR 12 -12.544 -5.114 1.958 91 HG23 THR 12 HG23 THR 12 -14.307 -5.093 1.950 92 H GLY 13 H GLY 13 -12.900 -6.088 6.022 93 HA2 GLY 13 HA2 GLY 13 -10.480 -4.679 5.340 94 HA3 GLY 13 HA3 GLY 13 -11.163 -4.864 6.947 95 H ASN 14 H ASN 14 -9.659 -6.937 4.464 96 HA ASN 14 HA ASN 14 -8.385 -8.540 6.554 97 HB2 ASN 14 HB2 ASN 14 -8.535 -8.948 3.552 98 HB3 ASN 14 HB3 ASN 14 -7.806 -10.075 4.694 99 HD21 ASN 14 HD21 ASN 14 -10.786 -8.739 3.498 100 HD22 ASN 14 HD22 ASN 14 -11.822 -9.895 4.252 101 H VAL 15 H VAL 15 -7.576 -6.310 3.966 102 HA VAL 15 HA VAL 15 -4.700 -6.671 4.490 103 HB VAL 15 HB VAL 15 -6.007 -5.267 2.145 104 HG11 VAL 15 HG11 VAL 15 -3.779 -4.420 2.595 105 HG12 VAL 15 HG12 VAL 15 -3.760 -5.399 1.129 106 HG13 VAL 15 HG13 VAL 15 -3.133 -6.060 2.639 107 HG21 VAL 15 HG21 VAL 15 -4.806 -8.039 2.283 108 HG22 VAL 15 HG22 VAL 15 -5.371 -7.235 0.818 109 HG23 VAL 15 HG23 VAL 15 -6.516 -7.653 2.093 110 H CYS 16 H CYS 16 -3.752 -5.201 5.744 111 HA CYS 16 HA CYS 16 -4.630 -2.386 5.604 112 HB2 CYS 16 HB2 CYS 16 -4.340 -2.165 8.039 113 HB3 CYS 16 HB3 CYS 16 -5.574 -3.359 7.652 114 HG CYS 16 HG CYS 16 -2.494 -4.629 8.073 115 H ILE 17 H ILE 17 -2.969 -0.830 6.243 116 HA ILE 17 HA ILE 17 -0.404 -1.524 5.196 117 HB ILE 17 HB ILE 17 -1.210 0.983 6.696 118 HG12 ILE 17 HG12 ILE 17 -1.101 0.467 3.707 119 HG13 ILE 17 HG13 ILE 17 -2.574 0.568 4.665 120 HG21 ILE 17 HG21 ILE 17 1.157 0.456 4.886 121 HG22 ILE 17 HG22 ILE 17 1.211 0.675 6.635 122 HG23 ILE 17 HG23 ILE 17 0.729 2.015 5.597 123 HD11 ILE 17 HD11 ILE 17 -2.061 2.894 5.205 124 HD12 ILE 17 HD12 ILE 17 -2.171 2.631 3.465 125 HD13 ILE 17 HD13 ILE 17 -0.593 2.791 4.233 126 H GLU 18 H GLU 18 1.331 -2.326 6.231 127 HA GLU 18 HA GLU 18 1.308 -2.546 9.138 128 HB2 GLU 18 HB2 GLU 18 1.938 -4.520 7.827 129 HB3 GLU 18 HB3 GLU 18 3.256 -3.626 7.082 130 HG2 GLU 18 HG2 GLU 18 4.339 -3.396 9.266 131 HG3 GLU 18 HG3 GLU 18 3.020 -4.293 10.013 132 H GLU 19 H GLU 19 3.834 -1.596 6.766 133 HA GLU 19 HA GLU 19 4.621 0.582 8.581 134 HB2 GLU 19 HB2 GLU 19 6.062 -1.355 9.075 135 HB3 GLU 19 HB3 GLU 19 6.551 -1.421 7.387 136 HG2 GLU 19 HG2 GLU 19 7.649 0.718 7.566 137 HG3 GLU 19 HG3 GLU 19 7.045 0.934 9.208 138 H ILE 20 H ILE 20 5.005 2.444 7.585 139 HA ILE 20 HA ILE 20 5.299 2.495 4.655 140 HB ILE 20 HB ILE 20 4.578 4.760 6.538 141 HG12 ILE 20 HG12 ILE 20 2.791 3.169 4.674 142 HG13 ILE 20 HG13 ILE 20 2.841 2.985 6.425 143 HG21 ILE 20 HG21 ILE 20 5.667 5.556 4.514 144 HG22 ILE 20 HG22 ILE 20 3.954 5.968 4.480 145 HG23 ILE 20 HG23 ILE 20 4.553 4.617 3.519 146 HD11 ILE 20 HD11 ILE 20 2.015 5.464 4.930 147 HD12 ILE 20 HD12 ILE 20 2.075 5.289 6.683 148 HD13 ILE 20 HD13 ILE 20 0.944 4.320 5.741 149 H ASP 21 H ASP 21 7.347 2.717 3.943 150 HA ASP 21 HA ASP 21 9.457 3.478 5.716 151 HB2 ASP 21 HB2 ASP 21 9.899 1.769 4.090 152 HB3 ASP 21 HB3 ASP 21 9.421 2.830 2.766 153 H VAL 22 H VAL 22 10.632 5.302 5.822 154 HA VAL 22 HA VAL 22 9.711 7.654 4.308 155 HB VAL 22 HB VAL 22 9.685 7.839 6.767 156 HG11 VAL 22 HG11 VAL 22 12.677 7.451 6.593 157 HG12 VAL 22 HG12 VAL 22 11.516 6.333 7.312 158 HG13 VAL 22 HG13 VAL 22 11.782 7.916 8.042 159 HG21 VAL 22 HG21 VAL 22 10.916 9.964 6.964 160 HG22 VAL 22 HG22 VAL 22 10.001 9.868 5.459 161 HG23 VAL 22 HG23 VAL 22 11.747 9.618 5.448 162 H ASP 23 H ASP 23 12.281 5.422 4.486 163 HA ASP 23 HA ASP 23 14.439 7.114 3.679 164 HB2 ASP 23 HB2 ASP 23 14.637 4.918 4.906 165 HB3 ASP 23 HB3 ASP 23 14.230 4.106 3.398 166 H GLY 24 H GLY 24 11.831 5.636 1.987 167 HA2 GLY 24 HA2 GLY 24 11.159 6.674 -0.057 168 HA3 GLY 24 HA3 GLY 24 12.842 6.980 -0.432 169 H LYS 25 H LYS 25 11.691 3.819 0.615 170 HA LYS 25 HA LYS 25 12.300 2.817 -2.093 171 HB2 LYS 25 HB2 LYS 25 12.777 1.594 0.615 172 HB3 LYS 25 HB3 LYS 25 12.706 0.591 -0.827 173 HG2 LYS 25 HG2 LYS 25 14.995 1.055 -0.398 174 HG3 LYS 25 HG3 LYS 25 14.526 2.004 -1.810 175 HD2 LYS 25 HD2 LYS 25 14.172 3.951 -0.234 176 HD3 LYS 25 HD3 LYS 25 14.932 2.973 1.023 177 HE2 LYS 25 HE2 LYS 25 16.953 2.790 -0.374 178 HE3 LYS 25 HE3 LYS 25 16.185 3.800 -1.599 179 HZ1 LYS 25 HZ1 LYS 25 16.886 4.605 1.169 180 HZ2 LYS 25 HZ2 LYS 25 16.039 5.578 0.077 181 HZ3 LYS 25 HZ3 LYS 25 17.636 5.127 -0.251 182 H PHE 26 H PHE 26 10.160 2.049 0.725 183 HA PHE 26 HA PHE 26 8.197 0.982 -1.173 184 HB2 PHE 26 HB2 PHE 26 8.091 -1.210 -0.109 185 HB3 PHE 26 HB3 PHE 26 9.711 -0.899 -0.722 186 HD1 PHE 26 HD1 PHE 26 11.550 -0.353 0.857 187 HD2 PHE 26 HD2 PHE 26 7.692 -1.539 2.225 188 HE1 PHE 26 HE1 PHE 26 12.488 -0.829 3.079 189 HE2 PHE 26 HE2 PHE 26 8.629 -2.018 4.449 190 HZ PHE 26 HZ PHE 26 11.027 -1.661 4.880 191 H ILE 27 H ILE 27 6.176 0.276 -0.189 192 HA ILE 27 HA ILE 27 5.677 1.176 2.577 193 HB ILE 27 HB ILE 27 3.769 1.525 0.241 194 HG12 ILE 27 HG12 ILE 27 5.160 3.605 1.956 195 HG13 ILE 27 HG13 ILE 27 5.570 3.216 0.289 196 HG21 ILE 27 HG21 ILE 27 3.377 2.191 3.166 197 HG22 ILE 27 HG22 ILE 27 2.569 0.903 2.271 198 HG23 ILE 27 HG23 ILE 27 2.257 2.588 1.861 199 HD11 ILE 27 HD11 ILE 27 4.272 5.249 0.398 200 HD12 ILE 27 HD12 ILE 27 2.977 4.409 1.253 201 HD13 ILE 27 HD13 ILE 27 3.353 3.986 -0.417 202 H ARG 28 H ARG 28 5.410 -0.738 3.654 203 HA ARG 28 HA ARG 28 4.387 -3.040 2.178 204 HB2 ARG 28 HB2 ARG 28 6.414 -3.432 3.390 205 HB3 ARG 28 HB3 ARG 28 5.710 -2.824 4.883 206 HG2 ARG 28 HG2 ARG 28 4.237 -4.715 5.036 207 HG3 ARG 28 HG3 ARG 28 4.719 -5.279 3.437 208 HD2 ARG 28 HD2 ARG 28 6.641 -5.013 5.746 209 HD3 ARG 28 HD3 ARG 28 5.751 -6.494 5.394 210 HE ARG 28 HE ARG 28 7.196 -5.533 3.121 211 HH11 ARG 28 HH11 ARG 28 7.490 -7.314 6.057 212 HH12 ARG 28 HH12 ARG 28 8.852 -8.218 5.496 213 HH21 ARG 28 HH21 ARG 28 8.955 -6.700 2.423 214 HH22 ARG 28 HH22 ARG 28 9.664 -7.881 3.468 215 H LEU 29 H LEU 29 2.321 -3.548 2.200 216 HA LEU 29 HA LEU 29 0.635 -2.986 4.529 217 HB2 LEU 29 HB2 LEU 29 0.019 -4.073 1.777 218 HB3 LEU 29 HB3 LEU 29 -1.174 -3.994 3.056 219 HG LEU 29 HG LEU 29 -0.859 -1.510 3.124 220 HD11 LEU 29 HD11 LEU 29 0.785 -1.992 0.638 221 HD12 LEU 29 HD12 LEU 29 1.364 -1.337 2.169 222 HD13 LEU 29 HD13 LEU 29 0.214 -0.420 1.198 223 HD21 LEU 29 HD21 LEU 29 -2.718 -2.539 1.919 224 HD22 LEU 29 HD22 LEU 29 -1.718 -2.664 0.470 225 HD23 LEU 29 HD23 LEU 29 -2.159 -1.078 1.105 226 H LYS 30 H LYS 30 -1.089 -5.039 4.719 227 HA LYS 30 HA LYS 30 0.281 -7.587 4.722 228 HB2 LYS 30 HB2 LYS 30 1.231 -6.639 6.724 229 HB3 LYS 30 HB3 LYS 30 -0.358 -6.166 7.312 230 HG2 LYS 30 HG2 LYS 30 -0.967 -8.401 7.770 231 HG3 LYS 30 HG3 LYS 30 0.391 -9.042 6.843 232 HD2 LYS 30 HD2 LYS 30 0.751 -9.194 9.282 233 HD3 LYS 30 HD3 LYS 30 1.964 -8.199 8.477 234 HE2 LYS 30 HE2 LYS 30 0.674 -6.178 9.153 235 HE3 LYS 30 HE3 LYS 30 -0.414 -7.226 10.062 236 HZ1 LYS 30 HZ1 LYS 30 1.294 -6.249 11.466 237 HZ2 LYS 30 HZ2 LYS 30 2.507 -6.961 10.527 238 HZ3 LYS 30 HZ3 LYS 30 1.443 -7.932 11.418 239 H ASN 31 H ASN 31 -1.102 -9.255 4.595 240 HA ASN 31 HA ASN 31 -3.980 -8.725 4.969 241 HB2 ASN 31 HB2 ASN 31 -3.409 -9.351 2.692 242 HB3 ASN 31 HB3 ASN 31 -2.562 -10.788 3.261 243 HD21 ASN 31 HD21 ASN 31 -3.855 -12.200 2.104 244 HD22 ASN 31 HD22 ASN 31 -5.505 -12.496 2.518 245 H THR 32 H THR 32 -4.807 -9.522 6.802 246 HA THR 32 HA THR 32 -3.567 -11.896 8.038 247 HB THR 32 HB THR 32 -3.699 -9.964 9.515 248 HG1 THR 32 HG1 THR 32 -5.680 -11.850 10.340 249 HG21 THR 32 HG21 THR 32 -6.689 -10.105 9.079 250 HG22 THR 32 HG22 THR 32 -5.619 -8.812 8.537 251 HG23 THR 32 HG23 THR 32 -5.877 -9.079 10.261 252 H SER 33 H SER 33 -5.726 -11.711 5.800 253 HA SER 33 HA SER 33 -8.174 -12.674 6.715 254 HB2 SER 33 HB2 SER 33 -8.533 -13.557 4.461 255 HB3 SER 33 HB3 SER 33 -7.768 -11.972 4.378 256 HG SER 33 HG SER 33 -6.937 -14.152 3.233 257 H GLU 34 H GLU 34 -9.086 -14.798 6.812 258 HA GLU 34 HA GLU 34 -7.243 -16.771 7.876 259 HB2 GLU 34 HB2 GLU 34 -10.256 -16.879 7.599 260 HB3 GLU 34 HB3 GLU 34 -9.263 -17.997 8.526 261 HG2 GLU 34 HG2 GLU 34 -8.555 -16.129 9.976 262 HG3 GLU 34 HG3 GLU 34 -9.618 -15.053 9.072 263 H GLN 35 H GLN 35 -8.163 -16.061 4.820 264 HA GLN 35 HA GLN 35 -7.332 -18.598 3.766 265 HB2 GLN 35 HB2 GLN 35 -9.748 -19.008 4.279 266 HB3 GLN 35 HB3 GLN 35 -10.173 -17.689 3.199 267 HG2 GLN 35 HG2 GLN 35 -9.272 -18.899 1.305 268 HG3 GLN 35 HG3 GLN 35 -8.710 -20.191 2.365 269 HE21 GLN 35 HE21 GLN 35 -9.911 -21.760 1.335 270 HE22 GLN 35 HE22 GLN 35 -11.633 -21.849 1.454 271 H ASP 36 H ASP 36 -7.124 -18.513 1.363 272 HA ASP 36 HA ASP 36 -6.035 -16.100 0.441 273 HB2 ASP 36 HB2 ASP 36 -7.100 -18.390 -1.234 274 HB3 ASP 36 HB3 ASP 36 -5.972 -17.149 -1.770 275 H GLN 37 H GLN 37 -7.107 -14.244 0.062 276 HA GLN 37 HA GLN 37 -9.918 -14.371 -0.825 277 HB2 GLN 37 HB2 GLN 37 -8.380 -12.156 0.549 278 HB3 GLN 37 HB3 GLN 37 -10.042 -12.007 -0.006 279 HG2 GLN 37 HG2 GLN 37 -9.075 -13.986 2.051 280 HG3 GLN 37 HG3 GLN 37 -9.863 -12.450 2.407 281 HE21 GLN 37 HE21 GLN 37 -12.064 -12.219 1.940 282 HE22 GLN 37 HE22 GLN 37 -13.086 -13.585 1.689 283 HA PRO 38 HA PRO 38 -8.784 -12.756 -4.897 284 HB2 PRO 38 HB2 PRO 38 -11.578 -11.700 -4.712 285 HB3 PRO 38 HB3 PRO 38 -10.805 -12.618 -6.011 286 HG2 PRO 38 HG2 PRO 38 -12.534 -13.808 -4.375 287 HG3 PRO 38 HG3 PRO 38 -11.069 -14.654 -4.911 288 HD2 PRO 38 HD2 PRO 38 -11.658 -13.364 -2.273 289 HD3 PRO 38 HD3 PRO 38 -10.774 -14.865 -2.625 290 H MET 39 H MET 39 -7.841 -10.835 -5.436 291 HA MET 39 HA MET 39 -7.428 -8.836 -3.564 292 HB2 MET 39 HB2 MET 39 -5.986 -9.220 -5.525 293 HB3 MET 39 HB3 MET 39 -7.242 -8.579 -6.574 294 HG2 MET 39 HG2 MET 39 -5.707 -6.833 -6.336 295 HG3 MET 39 HG3 MET 39 -7.028 -6.407 -5.256 296 HE1 MET 39 HE1 MET 39 -5.509 -6.738 -1.730 297 HE2 MET 39 HE2 MET 39 -6.663 -7.801 -2.535 298 HE3 MET 39 HE3 MET 39 -6.796 -6.054 -2.722 299 H GLY 40 H GLY 40 -9.219 -8.142 -6.597 300 HA2 GLY 40 HA2 GLY 40 -11.310 -7.087 -6.805 301 HA3 GLY 40 HA3 GLY 40 -11.307 -6.774 -5.076 302 H GLY 41 H GLY 41 -12.135 -4.763 -6.615 303 HA2 GLY 41 HA2 GLY 41 -10.094 -2.999 -7.526 304 HA3 GLY 41 HA3 GLY 41 -11.774 -2.584 -7.239 305 H TRP 42 H TRP 42 -8.594 -2.865 -5.732 306 HA TRP 42 HA TRP 42 -9.475 -1.059 -3.571 307 HB2 TRP 42 HB2 TRP 42 -6.900 -2.618 -3.929 308 HB3 TRP 42 HB3 TRP 42 -7.199 -1.502 -2.603 309 HD1 TRP 42 HD1 TRP 42 -8.867 -4.698 -4.055 310 HE1 TRP 42 HE1 TRP 42 -9.729 -6.107 -2.090 311 HE3 TRP 42 HE3 TRP 42 -7.612 -1.571 -0.210 312 HZ2 TRP 42 HZ2 TRP 42 -9.866 -5.920 0.725 313 HZ3 TRP 42 HZ3 TRP 42 -8.142 -2.264 2.092 314 HH2 TRP 42 HH2 TRP 42 -9.246 -4.393 2.549 315 H GLU 43 H GLU 43 -8.170 0.863 -3.105 316 HA GLU 43 HA GLU 43 -6.490 1.858 -5.278 317 HB2 GLU 43 HB2 GLU 43 -8.860 2.470 -5.822 318 HB3 GLU 43 HB3 GLU 43 -8.914 3.409 -4.338 319 HG2 GLU 43 HG2 GLU 43 -7.087 4.827 -5.190 320 HG3 GLU 43 HG3 GLU 43 -7.089 3.896 -6.688 321 H MET 44 H MET 44 -4.703 2.570 -4.298 322 HA MET 44 HA MET 44 -4.830 3.614 -1.565 323 HB2 MET 44 HB2 MET 44 -3.140 1.924 -2.024 324 HB3 MET 44 HB3 MET 44 -2.474 2.900 -3.327 325 HG2 MET 44 HG2 MET 44 -1.825 4.620 -1.698 326 HG3 MET 44 HG3 MET 44 -2.471 3.619 -0.399 327 HE1 MET 44 HE1 MET 44 -0.531 2.362 -3.594 328 HE2 MET 44 HE2 MET 44 1.132 2.377 -3.010 329 HE3 MET 44 HE3 MET 44 0.260 3.894 -3.222 330 H ILE 45 H ILE 45 -5.165 5.745 -1.330 331 HA ILE 45 HA ILE 45 -4.018 7.632 -3.286 332 HB ILE 45 HB ILE 45 -6.119 8.086 -1.145 333 HG12 ILE 45 HG12 ILE 45 -7.547 8.642 -3.184 334 HG13 ILE 45 HG13 ILE 45 -6.262 7.953 -4.169 335 HG21 ILE 45 HG21 ILE 45 -6.341 10.359 -2.070 336 HG22 ILE 45 HG22 ILE 45 -4.956 10.056 -3.119 337 HG23 ILE 45 HG23 ILE 45 -4.748 10.080 -1.368 338 HD11 ILE 45 HD11 ILE 45 -8.098 6.391 -3.792 339 HD12 ILE 45 HD12 ILE 45 -7.820 6.480 -2.053 340 HD13 ILE 45 HD13 ILE 45 -6.584 5.798 -3.112 341 H ARG 46 H ARG 46 -1.989 8.216 -2.733 342 HA ARG 46 HA ARG 46 -1.286 8.480 0.109 343 HB2 ARG 46 HB2 ARG 46 0.108 7.043 -1.396 344 HB3 ARG 46 HB3 ARG 46 0.545 8.486 -2.302 345 HG2 ARG 46 HG2 ARG 46 1.577 9.432 -0.288 346 HG3 ARG 46 HG3 ARG 46 1.147 7.976 0.610 347 HD2 ARG 46 HD2 ARG 46 2.508 6.659 -1.018 348 HD3 ARG 46 HD3 ARG 46 3.032 8.183 -1.738 349 HE ARG 46 HE ARG 46 3.508 7.758 1.113 350 HH11 ARG 46 HH11 ARG 46 4.760 8.015 -2.085 351 HH12 ARG 46 HH12 ARG 46 6.401 8.097 -1.550 352 HH21 ARG 46 HH21 ARG 46 5.623 7.870 1.790 353 HH22 ARG 46 HH22 ARG 46 6.889 8.002 0.625 354 H LYS 47 H LYS 47 -1.157 10.437 1.024 355 HA LYS 47 HA LYS 47 -0.629 12.789 -0.693 356 HB2 LYS 47 HB2 LYS 47 -2.318 12.743 1.818 357 HB3 LYS 47 HB3 LYS 47 -2.023 14.135 0.784 358 HG2 LYS 47 HG2 LYS 47 -3.140 12.842 -1.073 359 HG3 LYS 47 HG3 LYS 47 -3.632 11.670 0.151 360 HD2 LYS 47 HD2 LYS 47 -4.345 14.608 0.066 361 HD3 LYS 47 HD3 LYS 47 -5.426 13.250 -0.247 362 HE2 LYS 47 HE2 LYS 47 -5.126 12.500 2.086 363 HE3 LYS 47 HE3 LYS 47 -4.078 13.889 2.382 364 HZ1 LYS 47 HZ1 LYS 47 -5.923 15.355 1.910 365 HZ2 LYS 47 HZ2 LYS 47 -6.350 14.274 3.139 366 HZ3 LYS 47 HZ3 LYS 47 -6.927 14.040 1.569 367 H ILE 48 H ILE 48 1.322 13.596 -0.295 368 HA ILE 48 HA ILE 48 2.411 13.511 2.446 369 HB ILE 48 HB ILE 48 3.882 12.583 0.725 370 HG12 ILE 48 HG12 ILE 48 4.889 15.241 1.791 371 HG13 ILE 48 HG13 ILE 48 4.901 13.713 2.666 372 HG21 ILE 48 HG21 ILE 48 4.835 13.989 -1.041 373 HG22 ILE 48 HG22 ILE 48 3.794 15.324 -0.547 374 HG23 ILE 48 HG23 ILE 48 3.086 13.845 -1.200 375 HD11 ILE 48 HD11 ILE 48 7.094 14.231 1.798 376 HD12 ILE 48 HD12 ILE 48 6.448 14.335 0.161 377 HD13 ILE 48 HD13 ILE 48 6.448 12.791 1.013 378 H GLY 49 H GLY 49 1.288 15.650 -0.051 379 HA2 GLY 49 HA2 GLY 49 1.494 17.921 1.796 380 HA3 GLY 49 HA3 GLY 49 2.206 18.089 0.197 381 H ASP 50 H ASP 50 0.880 19.564 -0.744 382 HA ASP 50 HA ASP 50 -1.950 19.607 -0.390 383 HB2 ASP 50 HB2 ASP 50 -0.307 20.947 -2.552 384 HB3 ASP 50 HB3 ASP 50 -1.927 21.402 -2.025 385 H THR 51 H THR 51 0.161 18.409 -2.976 386 HA THR 51 HA THR 51 -2.017 17.520 -4.645 387 HB THR 51 HB THR 51 0.094 18.147 -5.697 388 HG1 THR 51 HG1 THR 51 0.067 15.379 -6.143 389 HG21 THR 51 HG21 THR 51 2.114 16.806 -5.447 390 HG22 THR 51 HG22 THR 51 1.298 15.754 -4.290 391 HG23 THR 51 HG23 THR 51 1.613 17.439 -3.879 392 H SER 52 H SER 52 -2.437 15.316 -5.250 393 HA SER 52 HA SER 52 -1.620 13.270 -3.280 394 HB2 SER 52 HB2 SER 52 -3.879 12.388 -3.164 395 HB3 SER 52 HB3 SER 52 -3.917 14.099 -2.738 396 HG SER 52 HG SER 52 -5.253 12.843 -4.667 397 H VAL 53 H VAL 53 -1.630 11.106 -4.049 398 HA VAL 53 HA VAL 53 -2.028 10.741 -6.947 399 HB VAL 53 HB VAL 53 0.357 11.069 -6.667 400 HG11 VAL 53 HG11 VAL 53 0.263 8.825 -4.650 401 HG12 VAL 53 HG12 VAL 53 0.570 10.528 -4.305 402 HG13 VAL 53 HG13 VAL 53 1.727 9.598 -5.258 403 HG21 VAL 53 HG21 VAL 53 -0.344 9.412 -8.326 404 HG22 VAL 53 HG22 VAL 53 -0.270 8.142 -7.102 405 HG23 VAL 53 HG23 VAL 53 1.205 8.967 -7.609 406 H SER 54 H SER 54 -2.840 8.742 -7.567 407 HA SER 54 HA SER 54 -3.678 6.987 -5.342 408 HB2 SER 54 HB2 SER 54 -5.623 6.373 -6.729 409 HB3 SER 54 HB3 SER 54 -5.558 8.111 -6.438 410 HG SER 54 HG SER 54 -5.919 7.167 -8.708 411 H TYR 55 H TYR 55 -4.241 4.701 -6.094 412 HA TYR 55 HA TYR 55 -2.781 3.614 -8.331 413 HB2 TYR 55 HB2 TYR 55 -0.929 3.787 -6.783 414 HB3 TYR 55 HB3 TYR 55 -1.872 3.039 -5.499 415 HD1 TYR 55 HD1 TYR 55 -0.556 2.309 -8.930 416 HD2 TYR 55 HD2 TYR 55 -1.631 0.740 -5.114 417 HE1 TYR 55 HE1 TYR 55 0.321 0.113 -9.588 418 HE2 TYR 55 HE2 TYR 55 -0.756 -1.464 -5.775 419 HH TYR 55 HH TYR 55 1.243 -1.931 -8.384 420 H LYS 56 H LYS 56 -4.278 2.237 -9.127 421 HA LYS 56 HA LYS 56 -6.130 0.840 -7.389 422 HB2 LYS 56 HB2 LYS 56 -6.909 1.689 -9.549 423 HB3 LYS 56 HB3 LYS 56 -5.734 0.682 -10.389 424 HG2 LYS 56 HG2 LYS 56 -6.867 -1.328 -9.459 425 HG3 LYS 56 HG3 LYS 56 -8.097 -0.268 -8.766 426 HD2 LYS 56 HD2 LYS 56 -7.442 -0.519 -11.707 427 HD3 LYS 56 HD3 LYS 56 -8.819 -1.266 -10.899 428 HE2 LYS 56 HE2 LYS 56 -9.686 0.955 -10.323 429 HE3 LYS 56 HE3 LYS 56 -8.303 1.706 -11.120 430 HZ1 LYS 56 HZ1 LYS 56 -10.341 0.002 -12.445 431 HZ2 LYS 56 HZ2 LYS 56 -9.019 0.735 -13.207 432 HZ3 LYS 56 HZ3 LYS 56 -10.250 1.687 -12.545 433 H TYR 57 H TYR 57 -5.872 -1.152 -6.584 434 HA TYR 57 HA TYR 57 -3.511 -2.693 -7.110 435 HB2 TYR 57 HB2 TYR 57 -5.985 -3.247 -5.455 436 HB3 TYR 57 HB3 TYR 57 -4.627 -4.362 -5.559 437 HD1 TYR 57 HD1 TYR 57 -4.998 -0.654 -5.029 438 HD2 TYR 57 HD2 TYR 57 -3.282 -4.311 -3.678 439 HE1 TYR 57 HE1 TYR 57 -3.854 0.554 -3.224 440 HE2 TYR 57 HE2 TYR 57 -2.134 -3.106 -1.869 441 HH TYR 57 HH TYR 57 -2.880 0.103 -1.029 442 H THR 58 H THR 58 -3.221 -4.165 -8.672 443 HA THR 58 HA THR 58 -5.268 -4.724 -10.568 444 HB THR 58 HB THR 58 -3.005 -4.619 -11.362 445 HG1 THR 58 HG1 THR 58 -4.048 -6.011 -12.667 446 HG21 THR 58 HG21 THR 58 -2.428 -6.999 -9.589 447 HG22 THR 58 HG22 THR 58 -1.831 -5.355 -9.349 448 HG23 THR 58 HG23 THR 58 -1.309 -6.287 -10.752 449 H SER 59 H SER 59 -6.796 -6.206 -10.523 450 HA SER 59 HA SER 59 -6.802 -8.262 -8.461 451 HB2 SER 59 HB2 SER 59 -8.889 -7.456 -10.507 452 HB3 SER 59 HB3 SER 59 -9.131 -8.689 -9.271 453 HG SER 59 HG SER 59 -8.318 -6.064 -8.605 454 H ARG 60 H ARG 60 -4.865 -8.617 -10.603 455 HA ARG 60 HA ARG 60 -5.890 -10.641 -12.378 456 HB2 ARG 60 HB2 ARG 60 -3.593 -10.844 -13.192 457 HB3 ARG 60 HB3 ARG 60 -4.093 -9.161 -13.119 458 HG2 ARG 60 HG2 ARG 60 -2.802 -8.815 -11.110 459 HG3 ARG 60 HG3 ARG 60 -2.394 -10.530 -11.040 460 HD2 ARG 60 HD2 ARG 60 -0.522 -9.289 -11.939 461 HD3 ARG 60 HD3 ARG 60 -1.210 -10.316 -13.197 462 HE ARG 60 HE ARG 60 -2.422 -7.838 -13.453 463 HH11 ARG 60 HH11 ARG 60 0.772 -9.130 -13.681 464 HH12 ARG 60 HH12 ARG 60 1.297 -7.917 -14.793 465 HH21 ARG 60 HH21 ARG 60 -1.733 -6.310 -14.915 466 HH22 ARG 60 HH22 ARG 60 -0.104 -6.359 -15.493 467 H TYR 61 H TYR 61 -5.103 -10.779 -9.147 468 HA TYR 61 HA TYR 61 -5.113 -13.663 -9.177 469 HB2 TYR 61 HB2 TYR 61 -3.024 -14.013 -7.988 470 HB3 TYR 61 HB3 TYR 61 -2.698 -13.178 -9.500 471 HD1 TYR 61 HD1 TYR 61 -2.380 -10.614 -9.386 472 HD2 TYR 61 HD2 TYR 61 -2.233 -13.133 -5.954 473 HE1 TYR 61 HE1 TYR 61 -1.154 -8.871 -8.164 474 HE2 TYR 61 HE2 TYR 61 -1.002 -11.393 -4.725 475 HH TYR 61 HH TYR 61 0.418 -9.440 -5.206 476 H VAL 62 H VAL 62 -4.954 -14.527 -6.845 477 HA VAL 62 HA VAL 62 -6.629 -12.849 -5.139 478 HB VAL 62 HB VAL 62 -6.971 -14.877 -3.783 479 HG11 VAL 62 HG11 VAL 62 -7.369 -15.383 -6.736 480 HG12 VAL 62 HG12 VAL 62 -8.440 -14.441 -5.697 481 HG13 VAL 62 HG13 VAL 62 -8.237 -16.171 -5.415 482 HG21 VAL 62 HG21 VAL 62 -5.156 -16.245 -5.780 483 HG22 VAL 62 HG22 VAL 62 -6.076 -17.042 -4.504 484 HG23 VAL 62 HG23 VAL 62 -4.777 -15.925 -4.088 485 H LEU 63 H LEU 63 -6.023 -12.056 -3.152 486 HA LEU 63 HA LEU 63 -3.198 -12.071 -2.508 487 HB2 LEU 63 HB2 LEU 63 -5.081 -10.165 -2.240 488 HB3 LEU 63 HB3 LEU 63 -5.193 -10.872 -0.642 489 HG LEU 63 HG LEU 63 -3.715 -8.960 -0.588 490 HD11 LEU 63 HD11 LEU 63 -3.131 -10.846 0.870 491 HD12 LEU 63 HD12 LEU 63 -1.707 -9.944 0.356 492 HD13 LEU 63 HD13 LEU 63 -2.087 -11.494 -0.395 493 HD21 LEU 63 HD21 LEU 63 -3.060 -8.929 -2.939 494 HD22 LEU 63 HD22 LEU 63 -2.077 -10.373 -2.692 495 HD23 LEU 63 HD23 LEU 63 -1.649 -8.864 -1.883 496 H LYS 64 H LYS 64 -2.428 -13.862 -1.549 497 HA LYS 64 HA LYS 64 -4.072 -15.698 -0.139 498 HB2 LYS 64 HB2 LYS 64 -1.055 -15.567 -0.276 499 HB3 LYS 64 HB3 LYS 64 -1.998 -16.941 0.292 500 HG2 LYS 64 HG2 LYS 64 -3.068 -17.001 -1.997 501 HG3 LYS 64 HG3 LYS 64 -1.848 -15.833 -2.504 502 HD2 LYS 64 HD2 LYS 64 -0.879 -17.847 -3.120 503 HD3 LYS 64 HD3 LYS 64 -0.151 -17.560 -1.540 504 HE2 LYS 64 HE2 LYS 64 -2.525 -19.345 -2.105 505 HE3 LYS 64 HE3 LYS 64 -0.880 -19.892 -1.803 506 HZ1 LYS 64 HZ1 LYS 64 -2.289 -20.083 0.155 507 HZ2 LYS 64 HZ2 LYS 64 -2.585 -18.421 0.142 508 HZ3 LYS 64 HZ3 LYS 64 -1.023 -19.003 0.432 509 H ALA 65 H ALA 65 -3.864 -16.427 2.032 510 HA ALA 65 HA ALA 65 -3.945 -14.335 3.944 511 HB1 ALA 65 HB1 ALA 65 -4.286 -16.127 5.583 512 HB2 ALA 65 HB2 ALA 65 -3.834 -17.324 4.367 513 HB3 ALA 65 HB3 ALA 65 -5.291 -16.355 4.153 514 H GLY 66 H GLY 66 -2.478 -13.607 5.434 515 HA2 GLY 66 HA2 GLY 66 -0.570 -13.554 6.755 516 HA3 GLY 66 HA3 GLY 66 -0.102 -15.115 6.105 517 H GLN 67 H GLN 67 -0.757 -13.105 3.520 518 HA GLN 67 HA GLN 67 2.092 -12.701 3.023 519 HB2 GLN 67 HB2 GLN 67 -0.331 -12.893 1.362 520 HB3 GLN 67 HB3 GLN 67 0.788 -11.652 0.826 521 HG2 GLN 67 HG2 GLN 67 1.409 -13.527 -0.389 522 HG3 GLN 67 HG3 GLN 67 2.587 -13.459 0.913 523 HE21 GLN 67 HE21 GLN 67 0.767 -14.598 2.908 524 HE22 GLN 67 HE22 GLN 67 0.612 -16.262 2.514 525 H THR 68 H THR 68 3.139 -10.803 3.115 526 HA THR 68 HA THR 68 1.595 -8.375 3.755 527 HB THR 68 HB THR 68 3.790 -7.389 4.418 528 HG1 THR 68 HG1 THR 68 5.196 -8.667 3.175 529 HG21 THR 68 HG21 THR 68 2.366 -8.437 6.110 530 HG22 THR 68 HG22 THR 68 4.070 -8.698 6.479 531 HG23 THR 68 HG23 THR 68 3.108 -10.003 5.782 532 H VAL 69 H VAL 69 0.903 -8.000 1.590 533 HA VAL 69 HA VAL 69 2.566 -7.801 -0.644 534 HB VAL 69 HB VAL 69 0.191 -7.905 -0.948 535 HG11 VAL 69 HG11 VAL 69 0.003 -5.206 0.394 536 HG12 VAL 69 HG12 VAL 69 -0.536 -6.744 1.070 537 HG13 VAL 69 HG13 VAL 69 -1.330 -6.082 -0.360 538 HG21 VAL 69 HG21 VAL 69 1.448 -6.777 -2.709 539 HG22 VAL 69 HG22 VAL 69 1.226 -5.227 -1.899 540 HG23 VAL 69 HG23 VAL 69 -0.168 -6.084 -2.559 541 H THR 70 H THR 70 4.353 -6.615 -0.722 542 HA THR 70 HA THR 70 4.479 -4.009 0.605 543 HB THR 70 HB THR 70 6.669 -5.607 -0.754 544 HG1 THR 70 HG1 THR 70 5.917 -6.594 1.162 545 HG21 THR 70 HG21 THR 70 7.195 -3.227 -0.766 546 HG22 THR 70 HG22 THR 70 8.207 -4.064 0.411 547 HG23 THR 70 HG23 THR 70 6.823 -3.115 0.955 548 H ILE 71 H ILE 71 4.100 -2.184 -0.477 549 HA ILE 71 HA ILE 71 3.976 -2.133 -3.370 550 HB ILE 71 HB ILE 71 3.582 0.123 -1.379 551 HG12 ILE 71 HG12 ILE 71 1.949 -1.688 -1.058 552 HG13 ILE 71 HG13 ILE 71 1.174 -0.250 -1.712 553 HG21 ILE 71 HG21 ILE 71 2.879 -0.048 -4.314 554 HG22 ILE 71 HG22 ILE 71 4.133 0.962 -3.593 555 HG23 ILE 71 HG23 ILE 71 2.435 1.272 -3.229 556 HD11 ILE 71 HD11 ILE 71 0.326 -2.270 -2.749 557 HD12 ILE 71 HD12 ILE 71 1.952 -2.706 -3.273 558 HD13 ILE 71 HD13 ILE 71 1.169 -1.269 -3.931 559 H TRP 72 H TRP 72 5.896 -2.060 -4.421 560 HA TRP 72 HA TRP 72 8.189 -0.639 -3.351 561 HB2 TRP 72 HB2 TRP 72 7.773 -2.136 -5.953 562 HB3 TRP 72 HB3 TRP 72 9.299 -1.399 -5.477 563 HD1 TRP 72 HD1 TRP 72 6.838 -3.893 -3.757 564 HE1 TRP 72 HE1 TRP 72 8.242 -5.775 -2.708 565 HE3 TRP 72 HE3 TRP 72 11.501 -2.276 -5.094 566 HZ2 TRP 72 HZ2 TRP 72 10.961 -6.493 -2.487 567 HZ3 TRP 72 HZ3 TRP 72 13.453 -3.622 -4.429 568 HH2 TRP 72 HH2 TRP 72 13.187 -5.688 -3.151 569 H ALA 73 H ALA 73 9.131 1.244 -4.165 570 HA ALA 73 HA ALA 73 7.481 3.147 -5.448 571 HB1 ALA 73 HB1 ALA 73 9.355 3.730 -3.950 572 HB2 ALA 73 HB2 ALA 73 9.436 4.582 -5.493 573 HB3 ALA 73 HB3 ALA 73 10.492 3.201 -5.190 574 H ALA 74 H ALA 74 7.824 4.218 -7.530 575 HA ALA 74 HA ALA 74 7.760 2.537 -9.719 576 HB1 ALA 74 HB1 ALA 74 8.590 5.440 -9.731 577 HB2 ALA 74 HB2 ALA 74 6.932 4.838 -9.754 578 HB3 ALA 74 HB3 ALA 74 8.003 4.518 -11.116 579 H ASN 75 H ASN 75 10.588 3.945 -8.202 580 HA ASN 75 HA ASN 75 12.386 3.244 -10.363 581 HB2 ASN 75 HB2 ASN 75 12.930 4.236 -7.550 582 HB3 ASN 75 HB3 ASN 75 14.159 4.023 -8.795 583 HD21 ASN 75 HD21 ASN 75 13.364 6.430 -7.395 584 HD22 ASN 75 HD22 ASN 75 12.882 7.555 -8.621 585 H ALA 76 H ALA 76 10.815 1.067 -9.050 586 HA ALA 76 HA ALA 76 12.453 -0.528 -7.411 587 HB1 ALA 76 HB1 ALA 76 10.311 -1.464 -9.322 588 HB2 ALA 76 HB2 ALA 76 10.031 -0.865 -7.686 589 HB3 ALA 76 HB3 ALA 76 10.948 -2.351 -7.934 590 H GLY 77 H GLY 77 12.208 -0.351 -10.944 591 HA2 GLY 77 HA2 GLY 77 13.857 -0.878 -12.499 592 HA3 GLY 77 HA3 GLY 77 14.846 -1.526 -11.202 593 H VAL 78 H VAL 78 12.927 -3.418 -10.214 594 HA VAL 78 HA VAL 78 13.381 -5.570 -12.061 595 HB VAL 78 HB VAL 78 12.324 -6.999 -10.368 596 HG11 VAL 78 HG11 VAL 78 13.903 -6.577 -8.517 597 HG12 VAL 78 HG12 VAL 78 14.271 -4.997 -9.209 598 HG13 VAL 78 HG13 VAL 78 14.679 -6.464 -10.098 599 HG21 VAL 78 HG21 VAL 78 11.512 -6.044 -8.247 600 HG22 VAL 78 HG22 VAL 78 10.549 -5.497 -9.619 601 HG23 VAL 78 HG23 VAL 78 11.743 -4.420 -8.894 602 H THR 79 H THR 79 11.296 -7.228 -12.009 603 HA THR 79 HA THR 79 9.572 -6.437 -14.007 604 HB THR 79 HB THR 79 8.897 -8.455 -11.845 605 HG1 THR 79 HG1 THR 79 10.134 -9.877 -12.931 606 HG21 THR 79 HG21 THR 79 7.576 -9.543 -13.625 607 HG22 THR 79 HG22 THR 79 7.966 -8.213 -14.717 608 HG23 THR 79 HG23 THR 79 6.989 -7.915 -13.279 609 H ALA 80 H ALA 80 8.309 -4.647 -13.928 610 HA ALA 80 HA ALA 80 7.093 -3.746 -11.465 611 HB1 ALA 80 HB1 ALA 80 6.390 -1.806 -12.747 612 HB2 ALA 80 HB2 ALA 80 6.876 -2.596 -14.247 613 HB3 ALA 80 HB3 ALA 80 8.091 -2.159 -13.046 614 H SER 81 H SER 81 6.141 -6.094 -13.522 615 HA SER 81 HA SER 81 3.267 -5.465 -13.234 616 HB2 SER 81 HB2 SER 81 4.015 -5.551 -15.595 617 HB3 SER 81 HB3 SER 81 4.565 -7.208 -15.351 618 HG SER 81 HG SER 81 2.397 -6.886 -16.296 619 HA PRO 82 HA PRO 82 3.299 -8.889 -10.269 620 HB2 PRO 82 HB2 PRO 82 0.355 -8.569 -10.742 621 HB3 PRO 82 HB3 PRO 82 1.249 -8.638 -9.218 622 HG2 PRO 82 HG2 PRO 82 0.357 -6.313 -10.082 623 HG3 PRO 82 HG3 PRO 82 1.999 -6.427 -9.414 624 HD2 PRO 82 HD2 PRO 82 1.128 -6.317 -12.289 625 HD3 PRO 82 HD3 PRO 82 2.457 -5.453 -11.483 626 HA PRO 83 HA PRO 83 1.090 -10.555 -9.306 627 HB2 PRO 83 HB2 PRO 83 1.335 -13.141 -8.630 628 HB3 PRO 83 HB3 PRO 83 0.010 -12.561 -9.647 629 HG2 PRO 83 HG2 PRO 83 2.568 -13.908 -10.459 630 HG3 PRO 83 HG3 PRO 83 0.915 -14.220 -11.023 631 HD2 PRO 83 HD2 PRO 83 2.709 -12.693 -12.409 632 HD3 PRO 83 HD3 PRO 83 0.953 -12.457 -12.500 633 H THR 84 H THR 84 2.320 -9.805 -7.744 634 HA THR 84 HA THR 84 4.296 -11.171 -6.346 635 HB THR 84 HB THR 84 5.749 -10.840 -8.326 636 HG1 THR 84 HG1 THR 84 7.401 -9.504 -7.111 637 HG21 THR 84 HG21 THR 84 4.745 -8.775 -9.200 638 HG22 THR 84 HG22 THR 84 6.486 -8.596 -8.975 639 HG23 THR 84 HG23 THR 84 5.367 -7.884 -7.811 640 H ASP 85 H ASP 85 5.758 -9.224 -5.110 641 HA ASP 85 HA ASP 85 3.991 -7.591 -3.681 642 HB2 ASP 85 HB2 ASP 85 6.948 -7.195 -4.225 643 HB3 ASP 85 HB3 ASP 85 6.026 -6.305 -3.015 644 H LEU 86 H LEU 86 2.718 -6.051 -4.519 645 HA LEU 86 HA LEU 86 2.763 -5.236 -7.154 646 HB2 LEU 86 HB2 LEU 86 1.516 -3.772 -4.828 647 HB3 LEU 86 HB3 LEU 86 1.105 -3.540 -6.517 648 HG LEU 86 HG LEU 86 0.653 -6.056 -4.894 649 HD11 LEU 86 HD11 LEU 86 -0.894 -4.256 -4.351 650 HD12 LEU 86 HD12 LEU 86 -1.713 -5.556 -5.216 651 HD13 LEU 86 HD13 LEU 86 -1.291 -4.065 -6.059 652 HD21 LEU 86 HD21 LEU 86 1.199 -6.658 -7.172 653 HD22 LEU 86 HD22 LEU 86 0.053 -5.470 -7.798 654 HD23 LEU 86 HD23 LEU 86 -0.529 -6.875 -6.905 655 H ILE 87 H ILE 87 4.389 -4.186 -8.132 656 HA ILE 87 HA ILE 87 5.852 -2.038 -6.921 657 HB ILE 87 HB ILE 87 5.748 -2.911 -9.825 658 HG12 ILE 87 HG12 ILE 87 8.138 -3.687 -9.236 659 HG13 ILE 87 HG13 ILE 87 7.651 -3.519 -7.554 660 HG21 ILE 87 HG21 ILE 87 7.763 -1.540 -10.143 661 HG22 ILE 87 HG22 ILE 87 7.623 -0.955 -8.485 662 HG23 ILE 87 HG23 ILE 87 6.376 -0.560 -9.668 663 HD11 ILE 87 HD11 ILE 87 7.454 -5.807 -8.256 664 HD12 ILE 87 HD12 ILE 87 6.422 -5.341 -9.608 665 HD13 ILE 87 HD13 ILE 87 5.849 -5.147 -7.952 666 H TRP 88 H TRP 88 5.100 -0.067 -6.639 667 HA TRP 88 HA TRP 88 2.782 0.985 -7.912 668 HB2 TRP 88 HB2 TRP 88 3.721 1.563 -5.599 669 HB3 TRP 88 HB3 TRP 88 4.886 2.580 -6.434 670 HD1 TRP 88 HD1 TRP 88 1.665 2.822 -8.207 671 HE1 TRP 88 HE1 TRP 88 0.394 4.946 -7.517 672 HE3 TRP 88 HE3 TRP 88 4.423 4.102 -4.113 673 HZ2 TRP 88 HZ2 TRP 88 0.545 6.910 -5.500 674 HZ3 TRP 88 HZ3 TRP 88 3.797 6.117 -2.852 675 HH2 TRP 88 HH2 TRP 88 1.896 7.493 -3.532 676 H LYS 89 H LYS 89 2.597 2.346 -9.666 677 HA LYS 89 HA LYS 89 5.091 3.111 -11.057 678 HB2 LYS 89 HB2 LYS 89 2.612 1.818 -12.204 679 HB3 LYS 89 HB3 LYS 89 3.836 2.591 -13.203 680 HG2 LYS 89 HG2 LYS 89 5.506 1.011 -12.503 681 HG3 LYS 89 HG3 LYS 89 4.415 0.316 -11.304 682 HD2 LYS 89 HD2 LYS 89 3.830 0.293 -14.268 683 HD3 LYS 89 HD3 LYS 89 4.696 -1.008 -13.450 684 HE2 LYS 89 HE2 LYS 89 1.922 -0.059 -12.728 685 HE3 LYS 89 HE3 LYS 89 2.278 -1.468 -13.725 686 HZ1 LYS 89 HZ1 LYS 89 3.430 -2.464 -11.864 687 HZ2 LYS 89 HZ2 LYS 89 1.843 -2.074 -11.429 688 HZ3 LYS 89 HZ3 LYS 89 3.127 -1.108 -10.901 689 H ASN 90 H ASN 90 3.260 4.681 -9.346 690 HA ASN 90 HA ASN 90 2.415 6.716 -11.319 691 HB2 ASN 90 HB2 ASN 90 1.127 6.231 -8.619 692 HB3 ASN 90 HB3 ASN 90 0.570 7.327 -9.882 693 HD21 ASN 90 HD21 ASN 90 -0.459 6.459 -11.709 694 HD22 ASN 90 HD22 ASN 90 -1.041 4.832 -11.740 695 H GLN 91 H GLN 91 4.073 6.082 -8.290 696 HA GLN 91 HA GLN 91 5.175 8.812 -8.411 697 HB2 GLN 91 HB2 GLN 91 3.502 8.635 -6.546 698 HB3 GLN 91 HB3 GLN 91 4.507 7.388 -5.818 699 HG2 GLN 91 HG2 GLN 91 6.357 9.013 -5.645 700 HG3 GLN 91 HG3 GLN 91 5.305 10.255 -6.319 701 HE21 GLN 91 HE21 GLN 91 5.429 11.552 -4.511 702 HE22 GLN 91 HE22 GLN 91 4.674 11.145 -3.015 703 H ASN 92 H ASN 92 7.362 9.022 -7.758 704 HA ASN 92 HA ASN 92 8.869 6.521 -8.043 705 HB2 ASN 92 HB2 ASN 92 9.938 9.352 -8.124 706 HB3 ASN 92 HB3 ASN 92 10.729 7.887 -8.706 707 HD21 ASN 92 HD21 ASN 92 8.307 10.274 -9.341 708 HD22 ASN 92 HD22 ASN 92 8.013 9.830 -10.983 709 H SER 93 H SER 93 11.266 7.022 -6.915 710 HA SER 93 HA SER 93 10.922 6.496 -4.178 711 HB2 SER 93 HB2 SER 93 13.425 7.573 -5.514 712 HB3 SER 93 HB3 SER 93 13.345 6.708 -3.978 713 HG SER 93 HG SER 93 13.145 4.866 -5.007 714 H TRP 94 H TRP 94 10.664 7.763 -2.437 715 HA TRP 94 HA TRP 94 10.590 10.667 -2.884 716 HB2 TRP 94 HB2 TRP 94 9.125 10.690 -0.837 717 HB3 TRP 94 HB3 TRP 94 8.469 9.806 -2.207 718 HD1 TRP 94 HD1 TRP 94 9.521 9.354 1.402 719 HE1 TRP 94 HE1 TRP 94 8.985 6.950 2.157 720 HE3 TRP 94 HE3 TRP 94 8.336 7.304 -3.137 721 HZ2 TRP 94 HZ2 TRP 94 8.169 4.521 0.996 722 HZ3 TRP 94 HZ3 TRP 94 7.687 4.934 -3.225 723 HH2 TRP 94 HH2 TRP 94 7.607 3.570 -1.199 724 H GLY 95 H GLY 95 12.238 11.821 -2.168 725 HA2 GLY 95 HA2 GLY 95 13.477 11.095 0.432 726 HA3 GLY 95 HA3 GLY 95 14.367 11.827 -0.895 727 H THR 96 H THR 96 11.966 12.385 1.601 728 HA THR 96 HA THR 96 12.293 15.310 1.257 729 HB THR 96 HB THR 96 9.941 15.671 1.750 730 HG1 THR 96 HG1 THR 96 8.653 13.537 1.643 731 HG21 THR 96 HG21 THR 96 10.515 15.364 -0.609 732 HG22 THR 96 HG22 THR 96 8.910 14.714 -0.273 733 HG23 THR 96 HG23 THR 96 10.283 13.622 -0.454 734 H GLY 97 H GLY 97 11.477 12.651 3.449 735 HA2 GLY 97 HA2 GLY 97 11.908 12.452 5.724 736 HA3 GLY 97 HA3 GLY 97 12.564 14.080 5.722 737 H GLU 98 H GLU 98 9.558 14.079 4.254 738 HA GLU 98 HA GLU 98 8.294 15.206 6.648 739 HB2 GLU 98 HB2 GLU 98 7.731 15.417 3.699 740 HB3 GLU 98 HB3 GLU 98 6.513 15.880 4.878 741 HG2 GLU 98 HG2 GLU 98 9.296 17.042 4.777 742 HG3 GLU 98 HG3 GLU 98 7.886 17.765 4.005 743 H ASP 99 H ASP 99 6.319 14.517 7.453 744 HA ASP 99 HA ASP 99 5.701 11.776 7.257 745 HB2 ASP 99 HB2 ASP 99 4.188 14.103 8.445 746 HB3 ASP 99 HB3 ASP 99 3.631 12.435 8.566 747 H VAL 100 H VAL 100 4.356 10.651 6.017 748 HA VAL 100 HA VAL 100 2.628 12.120 4.123 749 HB VAL 100 HB VAL 100 4.508 11.133 2.947 750 HG11 VAL 100 HG11 VAL 100 3.622 8.492 4.123 751 HG12 VAL 100 HG12 VAL 100 5.111 9.358 4.493 752 HG13 VAL 100 HG13 VAL 100 4.861 8.690 2.882 753 HG21 VAL 100 HG21 VAL 100 3.297 9.809 1.292 754 HG22 VAL 100 HG22 VAL 100 2.333 11.188 1.820 755 HG23 VAL 100 HG23 VAL 100 1.971 9.574 2.430 756 H LYS 101 H LYS 101 0.524 11.692 4.220 757 HA LYS 101 HA LYS 101 -0.461 9.478 5.857 758 HB2 LYS 101 HB2 LYS 101 -1.391 11.740 6.173 759 HB3 LYS 101 HB3 LYS 101 -1.933 11.757 4.501 760 HG2 LYS 101 HG2 LYS 101 -3.436 9.861 4.990 761 HG3 LYS 101 HG3 LYS 101 -2.916 9.908 6.677 762 HD2 LYS 101 HD2 LYS 101 -3.783 12.194 6.888 763 HD3 LYS 101 HD3 LYS 101 -4.288 12.163 5.196 764 HE2 LYS 101 HE2 LYS 101 -5.781 10.257 5.719 765 HE3 LYS 101 HE3 LYS 101 -5.325 10.394 7.416 766 HZ1 LYS 101 HZ1 LYS 101 -6.649 12.521 5.824 767 HZ2 LYS 101 HZ2 LYS 101 -6.269 12.599 7.469 768 HZ3 LYS 101 HZ3 LYS 101 -7.431 11.500 6.919 769 H VAL 102 H VAL 102 -0.889 7.557 4.912 770 HA VAL 102 HA VAL 102 -1.534 7.488 2.033 771 HB VAL 102 HB VAL 102 -0.586 5.216 3.802 772 HG11 VAL 102 HG11 VAL 102 -0.194 4.026 1.688 773 HG12 VAL 102 HG12 VAL 102 -0.886 5.380 0.797 774 HG13 VAL 102 HG13 VAL 102 -1.897 4.439 1.895 775 HG21 VAL 102 HG21 VAL 102 0.964 6.892 1.815 776 HG22 VAL 102 HG22 VAL 102 1.574 5.464 2.654 777 HG23 VAL 102 HG23 VAL 102 1.154 6.912 3.568 778 H ILE 103 H ILE 103 -3.540 7.017 1.408 779 HA ILE 103 HA ILE 103 -5.459 5.950 3.377 780 HB ILE 103 HB ILE 103 -5.966 7.499 0.821 781 HG12 ILE 103 HG12 ILE 103 -4.967 8.899 2.559 782 HG13 ILE 103 HG13 ILE 103 -6.659 9.328 2.329 783 HG21 ILE 103 HG21 ILE 103 -7.793 5.974 1.287 784 HG22 ILE 103 HG22 ILE 103 -8.297 7.634 1.598 785 HG23 ILE 103 HG23 ILE 103 -7.901 6.567 2.945 786 HD11 ILE 103 HD11 ILE 103 -5.534 7.651 4.563 787 HD12 ILE 103 HD12 ILE 103 -7.242 8.028 4.326 788 HD13 ILE 103 HD13 ILE 103 -6.095 9.319 4.671 789 H LEU 104 H LEU 104 -6.372 3.995 3.081 790 HA LEU 104 HA LEU 104 -6.172 2.690 0.447 791 HB2 LEU 104 HB2 LEU 104 -6.762 1.511 3.168 792 HB3 LEU 104 HB3 LEU 104 -6.743 0.600 1.670 793 HG LEU 104 HG LEU 104 -4.378 1.953 2.985 794 HD11 LEU 104 HD11 LEU 104 -5.021 -0.959 2.512 795 HD12 LEU 104 HD12 LEU 104 -5.060 -0.121 4.063 796 HD13 LEU 104 HD13 LEU 104 -3.530 -0.333 3.214 797 HD21 LEU 104 HD21 LEU 104 -3.028 1.001 1.181 798 HD22 LEU 104 HD22 LEU 104 -4.216 2.142 0.548 799 HD23 LEU 104 HD23 LEU 104 -4.487 0.406 0.389 800 H LYS 105 H LYS 105 -7.906 3.021 -0.779 801 HA LYS 105 HA LYS 105 -10.597 2.828 0.437 802 HB2 LYS 105 HB2 LYS 105 -9.750 4.205 -2.127 803 HB3 LYS 105 HB3 LYS 105 -11.405 4.085 -1.544 804 HG2 LYS 105 HG2 LYS 105 -10.815 5.414 0.423 805 HG3 LYS 105 HG3 LYS 105 -9.147 5.524 -0.151 806 HD2 LYS 105 HD2 LYS 105 -9.915 6.697 -2.166 807 HD3 LYS 105 HD3 LYS 105 -11.584 6.574 -1.605 808 HE2 LYS 105 HE2 LYS 105 -11.027 7.927 0.356 809 HE3 LYS 105 HE3 LYS 105 -9.355 8.040 -0.188 810 HZ1 LYS 105 HZ1 LYS 105 -10.062 9.256 -2.109 811 HZ2 LYS 105 HZ2 LYS 105 -10.696 10.007 -0.732 812 HZ3 LYS 105 HZ3 LYS 105 -11.688 9.053 -1.711 813 H ASN 106 H ASN 106 -12.278 1.970 -1.169 814 HA ASN 106 HA ASN 106 -11.112 -0.183 -2.817 815 HB2 ASN 106 HB2 ASN 106 -13.819 -0.112 -1.459 816 HB3 ASN 106 HB3 ASN 106 -13.230 -1.418 -2.484 817 HD21 ASN 106 HD21 ASN 106 -11.439 -2.661 -1.740 818 HD22 ASN 106 HD22 ASN 106 -11.087 -2.765 -0.056 819 H SER 107 H SER 107 -13.393 -0.886 -4.244 820 HA SER 107 HA SER 107 -13.090 0.716 -6.495 821 HB2 SER 107 HB2 SER 107 -13.857 -1.613 -6.592 822 HB3 SER 107 HB3 SER 107 -15.392 -1.147 -5.863 823 HG SER 107 HG SER 107 -15.199 0.441 -7.890 824 H GLN 108 H GLN 108 -15.365 1.152 -3.858 825 HA GLN 108 HA GLN 108 -16.948 3.042 -5.459 826 HB2 GLN 108 HB2 GLN 108 -17.445 2.187 -2.603 827 HB3 GLN 108 HB3 GLN 108 -18.563 3.024 -3.672 828 HG2 GLN 108 HG2 GLN 108 -18.628 1.036 -5.124 829 HG3 GLN 108 HG3 GLN 108 -17.553 0.203 -4.004 830 HE21 GLN 108 HE21 GLN 108 -18.341 -0.295 -1.903 831 HE22 GLN 108 HE22 GLN 108 -20.039 -0.452 -1.618 832 H GLY 109 H GLY 109 -14.295 3.094 -3.391 833 HA2 GLY 109 HA2 GLY 109 -13.028 5.074 -3.064 834 HA3 GLY 109 HA3 GLY 109 -14.500 6.021 -3.192 835 H GLU 110 H GLU 110 -14.923 3.344 -1.164 836 HA GLU 110 HA GLU 110 -15.222 5.007 1.139 837 HB2 GLU 110 HB2 GLU 110 -15.682 2.861 2.349 838 HB3 GLU 110 HB3 GLU 110 -16.705 3.150 0.955 839 HG2 GLU 110 HG2 GLU 110 -14.251 1.470 0.630 840 HG3 GLU 110 HG3 GLU 110 -15.675 0.782 1.405 841 H GLU 111 H GLU 111 -13.752 5.588 2.590 842 HA GLU 111 HA GLU 111 -11.060 4.589 2.524 843 HB2 GLU 111 HB2 GLU 111 -11.591 6.942 3.027 844 HB3 GLU 111 HB3 GLU 111 -12.429 6.448 4.491 845 HG2 GLU 111 HG2 GLU 111 -10.347 5.647 5.446 846 HG3 GLU 111 HG3 GLU 111 -9.489 6.042 3.955 847 H VAL 112 H VAL 112 -10.637 2.593 3.289 848 HA VAL 112 HA VAL 112 -12.104 1.635 5.655 849 HB VAL 112 HB VAL 112 -11.267 -0.620 5.054 850 HG11 VAL 112 HG11 VAL 112 -12.687 0.832 2.814 851 HG12 VAL 112 HG12 VAL 112 -13.446 0.140 4.247 852 HG13 VAL 112 HG13 VAL 112 -12.672 -0.914 3.064 853 HG21 VAL 112 HG21 VAL 112 -10.089 0.790 2.650 854 HG22 VAL 112 HG22 VAL 112 -10.214 -0.960 2.839 855 HG23 VAL 112 HG23 VAL 112 -9.194 -0.025 3.932 856 H ALA 113 H ALA 113 -8.787 2.207 4.539 857 HA ALA 113 HA ALA 113 -7.872 1.906 7.314 858 HB1 ALA 113 HB1 ALA 113 -5.990 0.511 6.685 859 HB2 ALA 113 HB2 ALA 113 -6.505 0.536 4.998 860 HB3 ALA 113 HB3 ALA 113 -7.500 -0.266 6.212 861 H GLN 114 H GLN 114 -6.745 3.641 7.892 862 HA GLN 114 HA GLN 114 -5.054 4.983 5.874 863 HB2 GLN 114 HB2 GLN 114 -5.501 7.130 7.081 864 HB3 GLN 114 HB3 GLN 114 -6.908 6.451 6.279 865 HG2 GLN 114 HG2 GLN 114 -7.779 5.649 8.384 866 HG3 GLN 114 HG3 GLN 114 -6.323 6.176 9.225 867 HE21 GLN 114 HE21 GLN 114 -9.146 6.945 9.606 868 HE22 GLN 114 HE22 GLN 114 -9.176 8.662 9.445 869 H ARG 115 H ARG 115 -3.012 5.630 6.505 870 HA ARG 115 HA ARG 115 -2.126 5.539 9.245 871 HB2 ARG 115 HB2 ARG 115 -2.165 3.155 8.812 872 HB3 ARG 115 HB3 ARG 115 -1.263 3.363 7.320 873 HG2 ARG 115 HG2 ARG 115 0.744 3.823 8.472 874 HG3 ARG 115 HG3 ARG 115 -0.101 4.098 9.999 875 HD2 ARG 115 HD2 ARG 115 -0.662 1.762 10.173 876 HD3 ARG 115 HD3 ARG 115 -0.034 1.443 8.560 877 HE ARG 115 HE ARG 115 2.000 1.152 9.510 878 HH11 ARG 115 HH11 ARG 115 0.258 3.316 11.577 879 HH12 ARG 115 HH12 ARG 115 1.464 3.250 12.814 880 HH21 ARG 115 HH21 ARG 115 3.515 1.094 11.112 881 HH22 ARG 115 HH22 ARG 115 3.279 2.019 12.553 882 H SER 116 H SER 116 0.041 6.355 9.519 883 HA SER 116 HA SER 116 1.374 7.364 7.097 884 HB2 SER 116 HB2 SER 116 1.589 9.612 7.992 885 HB3 SER 116 HB3 SER 116 -0.121 9.177 7.961 886 HG SER 116 HG SER 116 1.260 10.031 10.020 887 H THR 117 H THR 117 3.519 8.471 7.739 888 HA THR 117 HA THR 117 5.121 6.715 9.323 889 HB THR 117 HB THR 117 6.914 8.454 8.989 890 HG1 THR 117 HG1 THR 117 5.745 10.348 8.834 891 HG21 THR 117 HG21 THR 117 5.409 7.621 6.498 892 HG22 THR 117 HG22 THR 117 6.600 6.648 7.360 893 HG23 THR 117 HG23 THR 117 7.095 8.140 6.558 894 H VAL 118 H VAL 118 6.684 7.826 11.044 895 HA VAL 118 HA VAL 118 5.047 9.500 12.849 896 HB VAL 118 HB VAL 118 6.894 7.286 13.779 897 HG11 VAL 118 HG11 VAL 118 6.677 9.096 15.387 898 HG12 VAL 118 HG12 VAL 118 5.826 7.666 15.970 899 HG13 VAL 118 HG13 VAL 118 4.918 9.013 15.282 900 HG21 VAL 118 HG21 VAL 118 4.856 6.037 14.375 901 HG22 VAL 118 HG22 VAL 118 4.966 6.316 12.637 902 HG23 VAL 118 HG23 VAL 118 3.872 7.289 13.617 903 H PHE 119 H PHE 119 6.285 11.244 11.830 904 HA PHE 119 HA PHE 119 8.068 12.724 11.698 905 HB2 PHE 119 HB2 PHE 119 7.665 12.457 14.686 906 HB3 PHE 119 HB3 PHE 119 8.276 13.871 13.834 907 HD1 PHE 119 HD1 PHE 119 5.297 11.830 14.521 908 HD2 PHE 119 HD2 PHE 119 6.781 15.378 12.684 909 HE1 PHE 119 HE1 PHE 119 2.994 12.662 14.274 910 HE2 PHE 119 HE2 PHE 119 4.480 16.213 12.438 911 HZ PHE 119 HZ PHE 119 2.585 14.855 13.231 912 H LYS 120 H LYS 120 9.736 11.204 10.901 913 HA LYS 120 HA LYS 120 11.802 10.670 12.945 914 HB2 LYS 120 HB2 LYS 120 10.864 8.619 11.909 915 HB3 LYS 120 HB3 LYS 120 11.398 9.193 10.333 916 HG2 LYS 120 HG2 LYS 120 13.716 9.102 11.044 917 HG3 LYS 120 HG3 LYS 120 13.221 8.629 12.670 918 HD2 LYS 120 HD2 LYS 120 12.184 6.577 11.678 919 HD3 LYS 120 HD3 LYS 120 12.880 7.039 10.122 920 HE2 LYS 120 HE2 LYS 120 15.124 6.913 11.071 921 HE3 LYS 120 HE3 LYS 120 14.450 6.516 12.650 922 HZ1 LYS 120 HZ1 LYS 120 13.533 4.481 11.689 923 HZ2 LYS 120 HZ2 LYS 120 15.216 4.542 11.533 924 HZ3 LYS 120 HZ3 LYS 120 14.231 4.860 10.198 925 H THR 121 H THR 121 13.604 11.823 12.796 926 HA THR 121 HA THR 121 14.055 13.562 10.536 927 HB THR 121 HB THR 121 14.528 14.517 12.669 928 HG1 THR 121 HG1 THR 121 16.171 15.489 11.784 929 HG21 THR 121 HG21 THR 121 14.955 12.464 13.941 930 HG22 THR 121 HG22 THR 121 16.232 13.653 14.204 931 HG23 THR 121 HG23 THR 121 16.511 12.278 13.133 932 H THR 122 H THR 122 14.671 12.486 8.748 933 HA THR 122 HA THR 122 16.897 10.578 8.863 934 HB THR 122 HB THR 122 16.358 10.112 6.476 935 HG1 THR 122 HG1 THR 122 15.378 12.149 5.980 936 HG21 THR 122 HG21 THR 122 14.207 8.977 6.908 937 HG22 THR 122 HG22 THR 122 14.048 9.881 8.415 938 HG23 THR 122 HG23 THR 122 15.370 8.728 8.209 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -24.015 5.876 -10.264 2 H2 MET 1 H2 MET 1 -24.109 6.995 -9.001 3 H3 MET 1 H3 MET 1 -23.324 5.516 -8.761 4 HA MET 1 HA MET 1 -22.464 7.660 -10.618 5 HB2 MET 1 HB2 MET 1 -20.562 7.958 -9.051 6 HB3 MET 1 HB3 MET 1 -22.112 8.341 -8.320 7 HG2 MET 1 HG2 MET 1 -22.113 6.114 -7.240 8 HG3 MET 1 HG3 MET 1 -20.507 5.827 -7.908 9 HE1 MET 1 HE1 MET 1 -19.490 5.326 -5.508 10 HE2 MET 1 HE2 MET 1 -21.103 5.536 -4.821 11 HE3 MET 1 HE3 MET 1 -19.728 6.382 -4.115 12 H GLY 2 H GLY 2 -21.434 6.848 -12.327 13 HA2 GLY 2 HA2 GLY 2 -19.885 5.646 -13.552 14 HA3 GLY 2 HA3 GLY 2 -19.296 4.951 -12.052 15 H HIS 3 H HIS 3 -20.226 3.951 -14.881 16 HA HIS 3 HA HIS 3 -22.395 2.234 -14.605 17 HB2 HIS 3 HB2 HIS 3 -21.387 0.935 -16.483 18 HB3 HIS 3 HB3 HIS 3 -21.444 2.668 -16.778 19 HD1 HIS 3 HD1 HIS 3 -19.253 3.839 -17.244 20 HD2 HIS 3 HD2 HIS 3 -18.744 -0.085 -15.976 21 HE1 HIS 3 HE1 HIS 3 -16.818 3.334 -17.575 22 HE2 HIS 3 HE2 HIS 3 -16.571 0.910 -16.955 23 H HIS 4 H HIS 4 -22.759 0.471 -13.409 24 HA HIS 4 HA HIS 4 -20.658 -1.453 -12.833 25 HB2 HIS 4 HB2 HIS 4 -22.048 0.095 -10.630 26 HB3 HIS 4 HB3 HIS 4 -21.222 -1.431 -10.356 27 HD1 HIS 4 HD1 HIS 4 -20.642 2.184 -10.672 28 HD2 HIS 4 HD2 HIS 4 -18.367 -1.295 -10.729 29 HE1 HIS 4 HE1 HIS 4 -18.265 2.925 -10.333 30 HE2 HIS 4 HE2 HIS 4 -16.922 0.800 -10.272 31 H HIS 5 H HIS 5 -21.514 -3.398 -11.731 32 HA HIS 5 HA HIS 5 -24.393 -3.815 -12.225 33 HB2 HIS 5 HB2 HIS 5 -22.073 -5.751 -12.046 34 HB3 HIS 5 HB3 HIS 5 -23.753 -6.280 -12.020 35 HD1 HIS 5 HD1 HIS 5 -21.071 -5.152 -14.318 36 HD2 HIS 5 HD2 HIS 5 -25.162 -5.864 -14.467 37 HE1 HIS 5 HE1 HIS 5 -21.656 -5.211 -16.755 38 HE2 HIS 5 HE2 HIS 5 -24.107 -5.762 -16.821 39 H HIS 6 H HIS 6 -25.651 -4.912 -10.588 40 HA HIS 6 HA HIS 6 -25.143 -3.854 -8.013 41 HB2 HIS 6 HB2 HIS 6 -27.206 -5.812 -9.013 42 HB3 HIS 6 HB3 HIS 6 -27.144 -5.278 -7.335 43 HD1 HIS 6 HD1 HIS 6 -27.463 -2.647 -6.954 44 HD2 HIS 6 HD2 HIS 6 -28.489 -4.079 -10.720 45 HE1 HIS 6 HE1 HIS 6 -28.823 -0.828 -8.020 46 HE2 HIS 6 HE2 HIS 6 -29.336 -1.664 -10.331 47 H HIS 7 H HIS 7 -23.260 -4.558 -7.175 48 HA HIS 7 HA HIS 7 -23.135 -7.378 -6.291 49 HB2 HIS 7 HB2 HIS 7 -21.468 -6.983 -8.039 50 HB3 HIS 7 HB3 HIS 7 -20.862 -5.576 -7.178 51 HD1 HIS 7 HD1 HIS 7 -19.548 -6.071 -4.913 52 HD2 HIS 7 HD2 HIS 7 -20.382 -9.395 -7.264 53 HE1 HIS 7 HE1 HIS 7 -18.054 -7.893 -4.056 54 HE2 HIS 7 HE2 HIS 7 -18.472 -9.847 -5.579 55 H HIS 8 H HIS 8 -23.301 -7.482 -4.109 56 HA HIS 8 HA HIS 8 -21.921 -5.501 -2.468 57 HB2 HIS 8 HB2 HIS 8 -23.874 -5.015 -1.092 58 HB3 HIS 8 HB3 HIS 8 -24.184 -4.579 -2.768 59 HD1 HIS 8 HD1 HIS 8 -25.225 -6.989 -0.097 60 HD2 HIS 8 HD2 HIS 8 -26.208 -6.053 -4.025 61 HE1 HIS 8 HE1 HIS 8 -27.386 -8.176 -0.549 62 HE2 HIS 8 HE2 HIS 8 -28.055 -7.433 -2.853 63 H SER 9 H SER 9 -21.161 -6.262 -0.575 64 HA SER 9 HA SER 9 -22.171 -8.568 0.773 65 HB2 SER 9 HB2 SER 9 -21.009 -9.765 -1.026 66 HB3 SER 9 HB3 SER 9 -19.521 -8.882 -0.678 67 HG SER 9 HG SER 9 -19.789 -11.068 0.275 68 H HIS 10 H HIS 10 -21.113 -8.934 2.811 69 HA HIS 10 HA HIS 10 -19.824 -6.494 3.780 70 HB2 HIS 10 HB2 HIS 10 -21.010 -8.849 5.267 71 HB3 HIS 10 HB3 HIS 10 -20.264 -7.459 6.048 72 HD1 HIS 10 HD1 HIS 10 -21.702 -5.429 6.386 73 HD2 HIS 10 HD2 HIS 10 -23.428 -8.188 3.807 74 HE1 HIS 10 HE1 HIS 10 -24.027 -4.588 5.956 75 HE2 HIS 10 HE2 HIS 10 -25.012 -6.214 4.313 76 H MET 11 H MET 11 -17.712 -6.633 3.111 77 HA MET 11 HA MET 11 -16.097 -8.931 3.964 78 HB2 MET 11 HB2 MET 11 -15.379 -6.572 2.199 79 HB3 MET 11 HB3 MET 11 -14.326 -7.936 2.552 80 HG2 MET 11 HG2 MET 11 -16.967 -8.089 1.110 81 HG3 MET 11 HG3 MET 11 -15.374 -8.120 0.351 82 HE1 MET 11 HE1 MET 11 -17.647 -10.343 -0.119 83 HE2 MET 11 HE2 MET 11 -16.673 -11.812 -0.076 84 HE3 MET 11 HE3 MET 11 -16.070 -10.379 -0.908 85 H THR 12 H THR 12 -14.859 -8.841 5.728 86 HA THR 12 HA THR 12 -14.946 -6.739 7.559 87 HB THR 12 HB THR 12 -14.463 -8.922 8.374 88 HG1 THR 12 HG1 THR 12 -13.466 -7.275 9.582 89 HG21 THR 12 HG21 THR 12 -13.326 -9.848 6.412 90 HG22 THR 12 HG22 THR 12 -12.387 -10.131 7.879 91 HG23 THR 12 HG23 THR 12 -11.907 -8.857 6.757 92 H GLY 13 H GLY 13 -12.240 -7.583 5.353 93 HA2 GLY 13 HA2 GLY 13 -10.624 -6.223 4.425 94 HA3 GLY 13 HA3 GLY 13 -11.485 -4.838 5.071 95 H ASN 14 H ASN 14 -8.982 -7.231 5.701 96 HA ASN 14 HA ASN 14 -8.009 -5.521 7.916 97 HB2 ASN 14 HB2 ASN 14 -7.893 -8.533 7.700 98 HB3 ASN 14 HB3 ASN 14 -7.020 -7.598 8.913 99 HD21 ASN 14 HD21 ASN 14 -10.150 -8.619 7.809 100 HD22 ASN 14 HD22 ASN 14 -11.009 -8.204 9.247 101 H VAL 15 H VAL 15 -7.318 -5.688 4.941 102 HA VAL 15 HA VAL 15 -4.529 -6.435 4.954 103 HB VAL 15 HB VAL 15 -6.015 -4.775 2.896 104 HG11 VAL 15 HG11 VAL 15 -3.419 -6.315 2.673 105 HG12 VAL 15 HG12 VAL 15 -3.572 -4.561 2.762 106 HG13 VAL 15 HG13 VAL 15 -4.219 -5.431 1.370 107 HG21 VAL 15 HG21 VAL 15 -5.532 -7.758 2.966 108 HG22 VAL 15 HG22 VAL 15 -6.252 -6.864 1.626 109 HG23 VAL 15 HG23 VAL 15 -7.085 -6.950 3.178 110 H CYS 16 H CYS 16 -3.666 -5.221 6.664 111 HA CYS 16 HA CYS 16 -3.836 -2.288 6.528 112 HB2 CYS 16 HB2 CYS 16 -2.931 -2.339 8.820 113 HB3 CYS 16 HB3 CYS 16 -4.383 -3.325 8.672 114 HG CYS 16 HG CYS 16 -1.809 -5.254 8.093 115 H ILE 17 H ILE 17 -2.003 -0.955 6.488 116 HA ILE 17 HA ILE 17 0.358 -2.123 5.280 117 HB ILE 17 HB ILE 17 -0.128 0.770 6.059 118 HG12 ILE 17 HG12 ILE 17 -0.393 1.052 3.529 119 HG13 ILE 17 HG13 ILE 17 -0.550 -0.698 3.440 120 HG21 ILE 17 HG21 ILE 17 2.238 0.250 5.899 121 HG22 ILE 17 HG22 ILE 17 1.749 1.250 4.532 122 HG23 ILE 17 HG23 ILE 17 1.996 -0.483 4.312 123 HD11 ILE 17 HD11 ILE 17 -2.361 1.153 4.976 124 HD12 ILE 17 HD12 ILE 17 -2.534 -0.596 4.845 125 HD13 ILE 17 HD13 ILE 17 -2.710 0.415 3.412 126 H GLU 18 H GLU 18 1.466 -3.304 6.780 127 HA GLU 18 HA GLU 18 1.799 -2.587 9.496 128 HB2 GLU 18 HB2 GLU 18 1.980 -4.902 8.786 129 HB3 GLU 18 HB3 GLU 18 3.356 -4.520 7.760 130 HG2 GLU 18 HG2 GLU 18 4.657 -3.921 9.776 131 HG3 GLU 18 HG3 GLU 18 3.281 -4.391 10.772 132 H GLU 19 H GLU 19 3.780 -1.984 6.632 133 HA GLU 19 HA GLU 19 5.561 -0.269 8.190 134 HB2 GLU 19 HB2 GLU 19 6.607 -2.411 8.449 135 HB3 GLU 19 HB3 GLU 19 6.450 -2.761 6.737 136 HG2 GLU 19 HG2 GLU 19 8.075 -1.016 6.216 137 HG3 GLU 19 HG3 GLU 19 8.218 -0.630 7.932 138 H ILE 20 H ILE 20 6.050 1.513 7.083 139 HA ILE 20 HA ILE 20 6.170 1.402 4.127 140 HB ILE 20 HB ILE 20 5.649 3.856 5.837 141 HG12 ILE 20 HG12 ILE 20 3.722 2.277 4.101 142 HG13 ILE 20 HG13 ILE 20 3.728 2.295 5.861 143 HG21 ILE 20 HG21 ILE 20 6.818 4.350 3.746 144 HG22 ILE 20 HG22 ILE 20 5.169 4.969 3.703 145 HG23 ILE 20 HG23 ILE 20 5.577 3.487 2.836 146 HD11 ILE 20 HD11 ILE 20 3.159 4.635 4.056 147 HD12 ILE 20 HD12 ILE 20 3.208 4.694 5.819 148 HD13 ILE 20 HD13 ILE 20 1.985 3.722 5.002 149 H ASP 21 H ASP 21 8.135 1.827 3.227 150 HA ASP 21 HA ASP 21 10.410 2.157 4.910 151 HB2 ASP 21 HB2 ASP 21 10.518 0.845 2.852 152 HB3 ASP 21 HB3 ASP 21 10.168 2.283 1.896 153 H VAL 22 H VAL 22 11.060 4.005 5.797 154 HA VAL 22 HA VAL 22 10.017 6.539 5.062 155 HB VAL 22 HB VAL 22 10.647 6.011 7.374 156 HG11 VAL 22 HG11 VAL 22 13.499 6.084 6.381 157 HG12 VAL 22 HG12 VAL 22 12.630 4.659 6.951 158 HG13 VAL 22 HG13 VAL 22 12.997 5.973 8.068 159 HG21 VAL 22 HG21 VAL 22 12.226 8.327 6.236 160 HG22 VAL 22 HG22 VAL 22 11.762 8.123 7.926 161 HG23 VAL 22 HG23 VAL 22 10.522 8.359 6.693 162 H ASP 23 H ASP 23 12.989 4.862 4.226 163 HA ASP 23 HA ASP 23 14.572 7.002 3.381 164 HB2 ASP 23 HB2 ASP 23 15.363 4.657 3.640 165 HB3 ASP 23 HB3 ASP 23 14.470 4.216 2.188 166 H GLY 24 H GLY 24 12.287 5.027 1.478 167 HA2 GLY 24 HA2 GLY 24 10.817 6.629 0.092 168 HA3 GLY 24 HA3 GLY 24 12.342 7.097 -0.633 169 H LYS 25 H LYS 25 11.748 3.759 0.233 170 HA LYS 25 HA LYS 25 12.080 3.071 -2.593 171 HB2 LYS 25 HB2 LYS 25 12.217 1.307 -0.139 172 HB3 LYS 25 HB3 LYS 25 12.639 0.829 -1.779 173 HG2 LYS 25 HG2 LYS 25 14.497 2.383 -1.795 174 HG3 LYS 25 HG3 LYS 25 14.038 2.986 -0.200 175 HD2 LYS 25 HD2 LYS 25 14.406 0.709 0.723 176 HD3 LYS 25 HD3 LYS 25 14.963 0.186 -0.867 177 HE2 LYS 25 HE2 LYS 25 16.807 1.767 -0.768 178 HE3 LYS 25 HE3 LYS 25 16.224 2.382 0.778 179 HZ1 LYS 25 HZ1 LYS 25 16.600 0.185 1.738 180 HZ2 LYS 25 HZ2 LYS 25 18.029 0.826 1.096 181 HZ3 LYS 25 HZ3 LYS 25 17.188 -0.378 0.257 182 H PHE 26 H PHE 26 10.025 1.826 0.115 183 HA PHE 26 HA PHE 26 7.972 1.117 -1.854 184 HB2 PHE 26 HB2 PHE 26 7.941 -1.238 -1.188 185 HB3 PHE 26 HB3 PHE 26 9.514 -0.791 -1.841 186 HD1 PHE 26 HD1 PHE 26 11.469 -0.612 -0.366 187 HD2 PHE 26 HD2 PHE 26 7.685 -1.873 1.133 188 HE1 PHE 26 HE1 PHE 26 12.557 -1.456 1.669 189 HE2 PHE 26 HE2 PHE 26 8.775 -2.719 3.170 190 HZ PHE 26 HZ PHE 26 11.213 -2.511 3.440 191 H ILE 27 H ILE 27 5.974 0.380 -0.991 192 HA ILE 27 HA ILE 27 5.506 0.893 1.888 193 HB ILE 27 HB ILE 27 3.506 1.022 -0.396 194 HG12 ILE 27 HG12 ILE 27 4.700 3.256 1.278 195 HG13 ILE 27 HG13 ILE 27 5.092 2.916 -0.403 196 HG21 ILE 27 HG21 ILE 27 3.146 1.619 2.547 197 HG22 ILE 27 HG22 ILE 27 2.454 0.261 1.660 198 HG23 ILE 27 HG23 ILE 27 1.941 1.907 1.291 199 HD11 ILE 27 HD11 ILE 27 3.562 4.788 -0.208 200 HD12 ILE 27 HD12 ILE 27 2.398 3.768 0.638 201 HD13 ILE 27 HD13 ILE 27 2.801 3.437 -1.048 202 H ARG 28 H ARG 28 5.270 -1.005 3.014 203 HA ARG 28 HA ARG 28 4.532 -3.413 1.485 204 HB2 ARG 28 HB2 ARG 28 6.726 -3.425 2.611 205 HB3 ARG 28 HB3 ARG 28 5.927 -3.216 4.165 206 HG2 ARG 28 HG2 ARG 28 4.850 -5.373 3.946 207 HG3 ARG 28 HG3 ARG 28 5.512 -5.570 2.323 208 HD2 ARG 28 HD2 ARG 28 6.791 -6.860 3.969 209 HD3 ARG 28 HD3 ARG 28 7.777 -5.599 3.231 210 HE ARG 28 HE ARG 28 7.966 -4.571 5.279 211 HH11 ARG 28 HH11 ARG 28 5.487 -6.971 5.463 212 HH12 ARG 28 HH12 ARG 28 5.365 -6.859 7.185 213 HH21 ARG 28 HH21 ARG 28 7.824 -4.485 7.482 214 HH22 ARG 28 HH22 ARG 28 6.674 -5.486 8.310 215 H LEU 29 H LEU 29 2.477 -3.997 1.622 216 HA LEU 29 HA LEU 29 0.892 -3.468 4.021 217 HB2 LEU 29 HB2 LEU 29 0.094 -4.635 1.344 218 HB3 LEU 29 HB3 LEU 29 -1.012 -4.313 2.663 219 HG LEU 29 HG LEU 29 -0.347 -1.868 2.470 220 HD11 LEU 29 HD11 LEU 29 1.725 -2.130 1.220 221 HD12 LEU 29 HD12 LEU 29 0.584 -1.125 0.329 222 HD13 LEU 29 HD13 LEU 29 0.835 -2.806 -0.144 223 HD21 LEU 29 HD21 LEU 29 -2.477 -2.717 1.651 224 HD22 LEU 29 HD22 LEU 29 -1.726 -3.158 0.116 225 HD23 LEU 29 HD23 LEU 29 -1.850 -1.462 0.582 226 H LYS 30 H LYS 30 -0.352 -5.141 5.065 227 HA LYS 30 HA LYS 30 0.363 -7.918 4.590 228 HB2 LYS 30 HB2 LYS 30 2.175 -7.137 6.042 229 HB3 LYS 30 HB3 LYS 30 1.006 -6.531 7.205 230 HG2 LYS 30 HG2 LYS 30 0.308 -8.752 7.770 231 HG3 LYS 30 HG3 LYS 30 1.252 -9.439 6.445 232 HD2 LYS 30 HD2 LYS 30 3.323 -8.705 7.516 233 HD3 LYS 30 HD3 LYS 30 2.400 -7.967 8.823 234 HE2 LYS 30 HE2 LYS 30 2.314 -10.908 8.162 235 HE3 LYS 30 HE3 LYS 30 3.397 -10.205 9.362 236 HZ1 LYS 30 HZ1 LYS 30 0.429 -10.125 9.431 237 HZ2 LYS 30 HZ2 LYS 30 1.448 -9.388 10.561 238 HZ3 LYS 30 HZ3 LYS 30 1.426 -11.069 10.412 239 H ASN 31 H ASN 31 -1.437 -9.099 4.787 240 HA ASN 31 HA ASN 31 -3.795 -7.977 6.056 241 HB2 ASN 31 HB2 ASN 31 -4.066 -9.123 3.932 242 HB3 ASN 31 HB3 ASN 31 -3.350 -10.589 4.594 243 HD21 ASN 31 HD21 ASN 31 -5.189 -11.784 4.099 244 HD22 ASN 31 HD22 ASN 31 -6.641 -11.639 5.026 245 H THR 32 H THR 32 -4.579 -8.470 8.015 246 HA THR 32 HA THR 32 -3.201 -10.574 9.576 247 HB THR 32 HB THR 32 -2.853 -8.343 10.489 248 HG1 THR 32 HG1 THR 32 -4.696 -9.821 12.097 249 HG21 THR 32 HG21 THR 32 -4.718 -7.009 11.374 250 HG22 THR 32 HG22 THR 32 -5.864 -8.175 10.720 251 HG23 THR 32 HG23 THR 32 -4.852 -7.226 9.630 252 H SER 33 H SER 33 -5.874 -10.496 7.857 253 HA SER 33 HA SER 33 -7.857 -11.239 9.827 254 HB2 SER 33 HB2 SER 33 -9.355 -11.615 7.936 255 HB3 SER 33 HB3 SER 33 -8.516 -10.079 7.740 256 HG SER 33 HG SER 33 -8.657 -11.931 5.971 257 H GLU 34 H GLU 34 -9.060 -13.280 9.703 258 HA GLU 34 HA GLU 34 -7.284 -15.573 9.579 259 HB2 GLU 34 HB2 GLU 34 -10.217 -15.359 10.315 260 HB3 GLU 34 HB3 GLU 34 -9.238 -16.811 10.486 261 HG2 GLU 34 HG2 GLU 34 -7.850 -15.746 12.140 262 HG3 GLU 34 HG3 GLU 34 -8.673 -14.205 11.889 263 H GLN 35 H GLN 35 -9.543 -14.070 7.487 264 HA GLN 35 HA GLN 35 -9.639 -16.468 5.759 265 HB2 GLN 35 HB2 GLN 35 -11.830 -15.979 6.830 266 HB3 GLN 35 HB3 GLN 35 -11.819 -14.387 6.083 267 HG2 GLN 35 HG2 GLN 35 -11.884 -15.404 3.869 268 HG3 GLN 35 HG3 GLN 35 -11.836 -17.011 4.593 269 HE21 GLN 35 HE21 GLN 35 -13.868 -15.815 2.864 270 HE22 GLN 35 HE22 GLN 35 -15.348 -15.886 3.754 271 H ASP 36 H ASP 36 -9.587 -16.107 3.490 272 HA ASP 36 HA ASP 36 -7.769 -14.182 2.627 273 HB2 ASP 36 HB2 ASP 36 -9.795 -15.683 0.950 274 HB3 ASP 36 HB3 ASP 36 -8.347 -14.883 0.342 275 H GLN 37 H GLN 37 -7.906 -12.229 1.601 276 HA GLN 37 HA GLN 37 -10.490 -10.832 1.793 277 HB2 GLN 37 HB2 GLN 37 -7.704 -9.662 1.601 278 HB3 GLN 37 HB3 GLN 37 -9.188 -8.771 1.905 279 HG2 GLN 37 HG2 GLN 37 -8.052 -10.880 3.735 280 HG3 GLN 37 HG3 GLN 37 -7.802 -9.147 3.925 281 HE21 GLN 37 HE21 GLN 37 -10.117 -11.747 4.131 282 HE22 GLN 37 HE22 GLN 37 -11.308 -10.867 5.019 283 HA PRO 38 HA PRO 38 -10.403 -10.920 -2.730 284 HB2 PRO 38 HB2 PRO 38 -12.825 -9.751 -3.113 285 HB3 PRO 38 HB3 PRO 38 -12.650 -11.442 -2.622 286 HG2 PRO 38 HG2 PRO 38 -13.231 -9.029 -0.932 287 HG3 PRO 38 HG3 PRO 38 -13.999 -10.629 -0.896 288 HD2 PRO 38 HD2 PRO 38 -12.084 -9.896 0.875 289 HD3 PRO 38 HD3 PRO 38 -12.268 -11.572 0.315 290 H MET 39 H MET 39 -9.360 -9.490 -3.995 291 HA MET 39 HA MET 39 -9.025 -6.751 -3.162 292 HB2 MET 39 HB2 MET 39 -7.108 -7.868 -4.069 293 HB3 MET 39 HB3 MET 39 -7.978 -8.308 -5.531 294 HG2 MET 39 HG2 MET 39 -6.378 -6.467 -5.870 295 HG3 MET 39 HG3 MET 39 -8.037 -6.013 -6.251 296 HE1 MET 39 HE1 MET 39 -5.793 -4.692 -2.433 297 HE2 MET 39 HE2 MET 39 -5.082 -5.689 -3.700 298 HE3 MET 39 HE3 MET 39 -6.355 -6.347 -2.672 299 H GLY 40 H GLY 40 -9.971 -8.037 -6.380 300 HA2 GLY 40 HA2 GLY 40 -11.569 -7.273 -7.869 301 HA3 GLY 40 HA3 GLY 40 -12.242 -6.289 -6.580 302 H GLY 41 H GLY 41 -10.390 -4.498 -5.935 303 HA2 GLY 41 HA2 GLY 41 -8.622 -3.388 -7.672 304 HA3 GLY 41 HA3 GLY 41 -10.167 -2.819 -8.282 305 H TRP 42 H TRP 42 -8.541 -3.115 -5.094 306 HA TRP 42 HA TRP 42 -9.792 -0.861 -3.930 307 HB2 TRP 42 HB2 TRP 42 -7.158 -2.212 -3.268 308 HB3 TRP 42 HB3 TRP 42 -7.873 -0.937 -2.290 309 HD1 TRP 42 HD1 TRP 42 -10.029 -3.761 -3.746 310 HE1 TRP 42 HE1 TRP 42 -10.919 -5.199 -1.807 311 HE3 TRP 42 HE3 TRP 42 -7.420 -1.635 0.099 312 HZ2 TRP 42 HZ2 TRP 42 -10.567 -5.402 0.991 313 HZ3 TRP 42 HZ3 TRP 42 -7.753 -2.508 2.377 314 HH2 TRP 42 HH2 TRP 42 -9.294 -4.354 2.811 315 H GLU 43 H GLU 43 -8.883 1.251 -3.471 316 HA GLU 43 HA GLU 43 -6.735 2.064 -5.321 317 HB2 GLU 43 HB2 GLU 43 -9.087 2.642 -6.113 318 HB3 GLU 43 HB3 GLU 43 -9.163 3.770 -4.767 319 HG2 GLU 43 HG2 GLU 43 -7.452 5.120 -5.664 320 HG3 GLU 43 HG3 GLU 43 -6.969 3.876 -6.818 321 H MET 44 H MET 44 -5.095 2.819 -4.226 322 HA MET 44 HA MET 44 -5.373 3.812 -1.513 323 HB2 MET 44 HB2 MET 44 -3.543 2.318 -1.869 324 HB3 MET 44 HB3 MET 44 -2.988 3.219 -3.273 325 HG2 MET 44 HG2 MET 44 -2.327 5.076 -1.858 326 HG3 MET 44 HG3 MET 44 -2.956 4.244 -0.437 327 HE1 MET 44 HE1 MET 44 -0.963 2.608 -3.448 328 HE2 MET 44 HE2 MET 44 0.694 2.750 -2.856 329 HE3 MET 44 HE3 MET 44 -0.219 4.200 -3.272 330 H ILE 45 H ILE 45 -6.041 5.889 -1.338 331 HA ILE 45 HA ILE 45 -4.957 7.965 -3.058 332 HB ILE 45 HB ILE 45 -6.692 8.185 -0.574 333 HG12 ILE 45 HG12 ILE 45 -8.412 8.969 -2.289 334 HG13 ILE 45 HG13 ILE 45 -7.315 8.394 -3.537 335 HG21 ILE 45 HG21 ILE 45 -7.000 10.548 -1.193 336 HG22 ILE 45 HG22 ILE 45 -5.815 10.357 -2.485 337 HG23 ILE 45 HG23 ILE 45 -5.319 10.183 -0.800 338 HD11 ILE 45 HD11 ILE 45 -8.585 6.709 -1.392 339 HD12 ILE 45 HD12 ILE 45 -7.493 6.129 -2.649 340 HD13 ILE 45 HD13 ILE 45 -9.070 6.786 -3.085 341 H ARG 46 H ARG 46 -2.740 7.899 -2.727 342 HA ARG 46 HA ARG 46 -1.618 7.773 -0.085 343 HB2 ARG 46 HB2 ARG 46 -0.572 6.745 -2.118 344 HB3 ARG 46 HB3 ARG 46 -0.197 8.361 -2.693 345 HG2 ARG 46 HG2 ARG 46 0.784 8.011 0.004 346 HG3 ARG 46 HG3 ARG 46 1.366 6.712 -1.035 347 HD2 ARG 46 HD2 ARG 46 2.976 8.477 -1.095 348 HD3 ARG 46 HD3 ARG 46 2.151 8.452 -2.653 349 HE ARG 46 HE ARG 46 1.150 10.307 -0.644 350 HH11 ARG 46 HH11 ARG 46 3.001 9.826 -3.510 351 HH12 ARG 46 HH12 ARG 46 2.975 11.500 -3.934 352 HH21 ARG 46 HH21 ARG 46 1.109 12.445 -1.220 353 HH22 ARG 46 HH22 ARG 46 1.943 12.966 -2.640 354 H LYS 47 H LYS 47 -2.056 9.542 1.135 355 HA LYS 47 HA LYS 47 -1.597 12.233 0.145 356 HB2 LYS 47 HB2 LYS 47 -2.361 11.158 2.870 357 HB3 LYS 47 HB3 LYS 47 -2.131 12.870 2.537 358 HG2 LYS 47 HG2 LYS 47 -3.952 12.805 0.902 359 HG3 LYS 47 HG3 LYS 47 -4.172 11.080 1.212 360 HD2 LYS 47 HD2 LYS 47 -4.790 11.536 3.515 361 HD3 LYS 47 HD3 LYS 47 -4.453 13.255 3.299 362 HE2 LYS 47 HE2 LYS 47 -6.569 11.711 1.788 363 HE3 LYS 47 HE3 LYS 47 -6.877 12.693 3.221 364 HZ1 LYS 47 HZ1 LYS 47 -5.832 13.676 0.615 365 HZ2 LYS 47 HZ2 LYS 47 -6.049 14.628 1.997 366 HZ3 LYS 47 HZ3 LYS 47 -7.382 13.927 1.234 367 H ILE 48 H ILE 48 -0.357 13.652 1.931 368 HA ILE 48 HA ILE 48 1.878 12.529 3.253 369 HB ILE 48 HB ILE 48 2.734 12.223 0.955 370 HG12 ILE 48 HG12 ILE 48 4.196 14.397 2.493 371 HG13 ILE 48 HG13 ILE 48 4.314 12.670 2.804 372 HG21 ILE 48 HG21 ILE 48 2.504 15.229 0.729 373 HG22 ILE 48 HG22 ILE 48 1.554 14.038 -0.158 374 HG23 ILE 48 HG23 ILE 48 3.288 14.168 -0.444 375 HD11 ILE 48 HD11 ILE 48 6.239 13.481 1.572 376 HD12 ILE 48 HD12 ILE 48 5.186 14.068 0.285 377 HD13 ILE 48 HD13 ILE 48 5.310 12.337 0.603 378 H GLY 49 H GLY 49 0.416 15.348 1.736 379 HA2 GLY 49 HA2 GLY 49 0.253 16.879 4.040 380 HA3 GLY 49 HA3 GLY 49 1.774 17.315 3.276 381 H ASP 50 H ASP 50 1.750 18.362 1.242 382 HA ASP 50 HA ASP 50 -0.642 19.973 0.832 383 HB2 ASP 50 HB2 ASP 50 0.751 21.356 -0.596 384 HB3 ASP 50 HB3 ASP 50 1.599 21.024 0.911 385 H THR 51 H THR 51 0.232 17.027 -0.296 386 HA THR 51 HA THR 51 -1.449 17.235 -2.649 387 HB THR 51 HB THR 51 0.657 17.885 -3.637 388 HG1 THR 51 HG1 THR 51 0.789 16.246 -5.218 389 HG21 THR 51 HG21 THR 51 2.619 16.401 -3.619 390 HG22 THR 51 HG22 THR 51 1.781 15.317 -2.506 391 HG23 THR 51 HG23 THR 51 2.201 16.952 -1.997 392 H SER 52 H SER 52 -1.771 15.138 -3.738 393 HA SER 52 HA SER 52 -1.105 12.716 -2.282 394 HB2 SER 52 HB2 SER 52 -3.499 12.022 -2.054 395 HB3 SER 52 HB3 SER 52 -3.091 13.414 -1.050 396 HG SER 52 HG SER 52 -4.849 13.213 -3.154 397 H VAL 53 H VAL 53 -1.400 10.824 -3.528 398 HA VAL 53 HA VAL 53 -2.390 11.200 -6.283 399 HB VAL 53 HB VAL 53 0.042 11.281 -6.397 400 HG11 VAL 53 HG11 VAL 53 1.450 9.425 -5.699 401 HG12 VAL 53 HG12 VAL 53 0.038 8.558 -5.093 402 HG13 VAL 53 HG13 VAL 53 0.542 10.065 -4.328 403 HG21 VAL 53 HG21 VAL 53 0.433 9.484 -8.006 404 HG22 VAL 53 HG22 VAL 53 -1.163 10.198 -8.239 405 HG23 VAL 53 HG23 VAL 53 -1.005 8.638 -7.432 406 H SER 54 H SER 54 -3.652 9.577 -7.072 407 HA SER 54 HA SER 54 -4.365 7.435 -5.207 408 HB2 SER 54 HB2 SER 54 -5.728 8.370 -7.751 409 HB3 SER 54 HB3 SER 54 -6.338 7.106 -6.682 410 HG SER 54 HG SER 54 -7.353 8.887 -5.977 411 H TYR 55 H TYR 55 -3.216 5.593 -5.405 412 HA TYR 55 HA TYR 55 -2.648 4.530 -8.098 413 HB2 TYR 55 HB2 TYR 55 -0.675 4.570 -6.722 414 HB3 TYR 55 HB3 TYR 55 -1.524 3.808 -5.381 415 HD1 TYR 55 HD1 TYR 55 -0.534 3.151 -8.935 416 HD2 TYR 55 HD2 TYR 55 -1.346 1.493 -5.093 417 HE1 TYR 55 HE1 TYR 55 0.169 0.937 -9.743 418 HE2 TYR 55 HE2 TYR 55 -0.647 -0.721 -5.896 419 HH TYR 55 HH TYR 55 1.020 -1.185 -8.808 420 H LYS 56 H LYS 56 -3.922 2.955 -8.879 421 HA LYS 56 HA LYS 56 -5.831 1.684 -7.052 422 HB2 LYS 56 HB2 LYS 56 -6.484 2.844 -9.259 423 HB3 LYS 56 HB3 LYS 56 -5.833 1.417 -10.054 424 HG2 LYS 56 HG2 LYS 56 -7.440 0.001 -8.952 425 HG3 LYS 56 HG3 LYS 56 -8.020 1.354 -7.978 426 HD2 LYS 56 HD2 LYS 56 -8.613 2.488 -10.190 427 HD3 LYS 56 HD3 LYS 56 -8.338 0.917 -10.946 428 HE2 LYS 56 HE2 LYS 56 -10.715 1.309 -10.428 429 HE3 LYS 56 HE3 LYS 56 -10.063 -0.085 -9.563 430 HZ1 LYS 56 HZ1 LYS 56 -9.991 1.112 -7.569 431 HZ2 LYS 56 HZ2 LYS 56 -11.488 1.506 -8.243 432 HZ3 LYS 56 HZ3 LYS 56 -10.204 2.604 -8.333 433 H TYR 57 H TYR 57 -5.368 -0.251 -6.244 434 HA TYR 57 HA TYR 57 -3.169 -1.823 -7.016 435 HB2 TYR 57 HB2 TYR 57 -5.602 -2.555 -5.367 436 HB3 TYR 57 HB3 TYR 57 -4.177 -3.575 -5.533 437 HD1 TYR 57 HD1 TYR 57 -1.999 -2.832 -4.573 438 HD2 TYR 57 HD2 TYR 57 -5.596 -0.654 -3.894 439 HE1 TYR 57 HE1 TYR 57 -0.932 -1.660 -2.692 440 HE2 TYR 57 HE2 TYR 57 -4.533 0.522 -2.016 441 HH TYR 57 HH TYR 57 -2.674 0.171 -0.438 442 H THR 58 H THR 58 -2.908 -3.142 -8.674 443 HA THR 58 HA THR 58 -4.972 -3.754 -10.516 444 HB THR 58 HB THR 58 -2.757 -3.596 -11.374 445 HG1 THR 58 HG1 THR 58 -4.121 -5.243 -12.334 446 HG21 THR 58 HG21 THR 58 -0.942 -5.113 -10.743 447 HG22 THR 58 HG22 THR 58 -1.992 -5.892 -9.559 448 HG23 THR 58 HG23 THR 58 -1.519 -4.206 -9.345 449 H SER 59 H SER 59 -6.274 -5.463 -10.748 450 HA SER 59 HA SER 59 -6.694 -7.220 -8.538 451 HB2 SER 59 HB2 SER 59 -8.533 -8.129 -10.002 452 HB3 SER 59 HB3 SER 59 -8.596 -6.384 -9.750 453 HG SER 59 HG SER 59 -8.605 -7.597 -12.042 454 H ARG 60 H ARG 60 -4.132 -7.609 -10.159 455 HA ARG 60 HA ARG 60 -4.380 -10.131 -11.491 456 HB2 ARG 60 HB2 ARG 60 -1.946 -10.107 -11.621 457 HB3 ARG 60 HB3 ARG 60 -2.590 -8.528 -12.052 458 HG2 ARG 60 HG2 ARG 60 -1.865 -7.554 -10.048 459 HG3 ARG 60 HG3 ARG 60 -1.650 -9.117 -9.261 460 HD2 ARG 60 HD2 ARG 60 0.507 -8.154 -9.805 461 HD3 ARG 60 HD3 ARG 60 0.232 -9.605 -10.765 462 HE ARG 60 HE ARG 60 -0.133 -6.883 -11.847 463 HH11 ARG 60 HH11 ARG 60 0.935 -10.124 -12.165 464 HH12 ARG 60 HH12 ARG 60 1.649 -9.865 -13.715 465 HH21 ARG 60 HH21 ARG 60 0.787 -6.536 -13.832 466 HH22 ARG 60 HH22 ARG 60 1.590 -7.834 -14.647 467 H TYR 61 H TYR 61 -4.469 -9.384 -8.225 468 HA TYR 61 HA TYR 61 -3.786 -12.128 -7.476 469 HB2 TYR 61 HB2 TYR 61 -2.300 -11.442 -5.673 470 HB3 TYR 61 HB3 TYR 61 -1.694 -10.832 -7.209 471 HD1 TYR 61 HD1 TYR 61 -2.211 -8.373 -7.792 472 HD2 TYR 61 HD2 TYR 61 -2.663 -9.967 -3.871 473 HE1 TYR 61 HE1 TYR 61 -2.141 -6.100 -6.864 474 HE2 TYR 61 HE2 TYR 61 -2.598 -7.693 -2.936 475 HH TYR 61 HH TYR 61 -1.720 -5.459 -3.582 476 H VAL 62 H VAL 62 -4.907 -12.906 -5.724 477 HA VAL 62 HA VAL 62 -6.779 -11.091 -4.352 478 HB VAL 62 HB VAL 62 -6.665 -14.125 -4.305 479 HG11 VAL 62 HG11 VAL 62 -8.862 -14.005 -3.227 480 HG12 VAL 62 HG12 VAL 62 -8.771 -12.243 -3.216 481 HG13 VAL 62 HG13 VAL 62 -7.635 -13.192 -2.256 482 HG21 VAL 62 HG21 VAL 62 -8.526 -12.268 -5.802 483 HG22 VAL 62 HG22 VAL 62 -8.689 -14.023 -5.709 484 HG23 VAL 62 HG23 VAL 62 -7.290 -13.309 -6.511 485 H LEU 63 H LEU 63 -6.367 -10.466 -2.275 486 HA LEU 63 HA LEU 63 -3.811 -11.149 -1.164 487 HB2 LEU 63 HB2 LEU 63 -5.260 -8.906 -1.095 488 HB3 LEU 63 HB3 LEU 63 -5.806 -9.595 0.420 489 HG LEU 63 HG LEU 63 -3.984 -8.041 0.819 490 HD11 LEU 63 HD11 LEU 63 -4.129 -10.012 2.265 491 HD12 LEU 63 HD12 LEU 63 -2.468 -9.453 2.076 492 HD13 LEU 63 HD13 LEU 63 -3.027 -10.876 1.195 493 HD21 LEU 63 HD21 LEU 63 -2.359 -9.785 -1.034 494 HD22 LEU 63 HD22 LEU 63 -1.729 -8.453 -0.064 495 HD23 LEU 63 HD23 LEU 63 -2.894 -8.134 -1.349 496 H LYS 64 H LYS 64 -3.681 -13.193 -0.394 497 HA LYS 64 HA LYS 64 -5.739 -14.586 0.961 498 HB2 LYS 64 HB2 LYS 64 -2.758 -15.075 0.834 499 HB3 LYS 64 HB3 LYS 64 -3.897 -16.190 1.575 500 HG2 LYS 64 HG2 LYS 64 -5.018 -16.491 -0.576 501 HG3 LYS 64 HG3 LYS 64 -3.899 -15.345 -1.323 502 HD2 LYS 64 HD2 LYS 64 -3.268 -17.696 -1.747 503 HD3 LYS 64 HD3 LYS 64 -2.024 -16.820 -0.853 504 HE2 LYS 64 HE2 LYS 64 -2.833 -17.826 1.240 505 HE3 LYS 64 HE3 LYS 64 -4.077 -18.694 0.341 506 HZ1 LYS 64 HZ1 LYS 64 -2.388 -19.920 -0.814 507 HZ2 LYS 64 HZ2 LYS 64 -2.115 -20.060 0.850 508 HZ3 LYS 64 HZ3 LYS 64 -1.160 -19.023 -0.080 509 H ALA 65 H ALA 65 -5.585 -15.490 3.166 510 HA ALA 65 HA ALA 65 -5.253 -13.556 5.194 511 HB1 ALA 65 HB1 ALA 65 -5.592 -15.404 6.761 512 HB2 ALA 65 HB2 ALA 65 -5.358 -16.565 5.453 513 HB3 ALA 65 HB3 ALA 65 -6.746 -15.480 5.431 514 H GLY 66 H GLY 66 -3.479 -12.872 6.262 515 HA2 GLY 66 HA2 GLY 66 -1.347 -12.806 7.132 516 HA3 GLY 66 HA3 GLY 66 -1.236 -14.537 6.864 517 H GLN 67 H GLN 67 -2.023 -12.686 4.083 518 HA GLN 67 HA GLN 67 0.607 -13.241 2.936 519 HB2 GLN 67 HB2 GLN 67 -1.429 -13.887 1.697 520 HB3 GLN 67 HB3 GLN 67 -1.929 -12.203 1.640 521 HG2 GLN 67 HG2 GLN 67 -0.986 -12.868 -0.478 522 HG3 GLN 67 HG3 GLN 67 0.046 -11.666 0.291 523 HE21 GLN 67 HE21 GLN 67 -0.043 -15.042 1.242 524 HE22 GLN 67 HE22 GLN 67 1.542 -15.426 0.677 525 H THR 68 H THR 68 1.844 -11.653 1.805 526 HA THR 68 HA THR 68 1.362 -8.858 2.657 527 HB THR 68 HB THR 68 3.822 -8.546 2.678 528 HG1 THR 68 HG1 THR 68 4.365 -10.301 1.264 529 HG21 THR 68 HG21 THR 68 2.715 -9.041 4.786 530 HG22 THR 68 HG22 THR 68 4.292 -9.831 4.739 531 HG23 THR 68 HG23 THR 68 2.824 -10.773 4.468 532 H VAL 69 H VAL 69 1.743 -7.228 1.191 533 HA VAL 69 HA VAL 69 2.824 -7.926 -1.459 534 HB VAL 69 HB VAL 69 0.390 -7.893 -1.728 535 HG11 VAL 69 HG11 VAL 69 0.492 -5.048 -0.714 536 HG12 VAL 69 HG12 VAL 69 -0.186 -6.428 0.151 537 HG13 VAL 69 HG13 VAL 69 -0.931 -5.875 -1.351 538 HG21 VAL 69 HG21 VAL 69 0.227 -6.218 -3.521 539 HG22 VAL 69 HG22 VAL 69 1.750 -7.104 -3.589 540 HG23 VAL 69 HG23 VAL 69 1.713 -5.462 -2.943 541 H THR 70 H THR 70 4.126 -6.344 -2.376 542 HA THR 70 HA THR 70 4.671 -4.010 -0.632 543 HB THR 70 HB THR 70 6.701 -5.503 -2.310 544 HG1 THR 70 HG1 THR 70 6.169 -6.860 -0.631 545 HG21 THR 70 HG21 THR 70 8.340 -4.230 -0.980 546 HG22 THR 70 HG22 THR 70 7.018 -3.373 -0.187 547 HG23 THR 70 HG23 THR 70 7.290 -3.167 -1.918 548 H ILE 71 H ILE 71 4.348 -2.088 -1.566 549 HA ILE 71 HA ILE 71 4.209 -1.864 -4.484 550 HB ILE 71 HB ILE 71 3.548 0.222 -2.388 551 HG12 ILE 71 HG12 ILE 71 2.083 -1.731 -2.140 552 HG13 ILE 71 HG13 ILE 71 1.185 -0.365 -2.788 553 HG21 ILE 71 HG21 ILE 71 4.039 1.178 -4.582 554 HG22 ILE 71 HG22 ILE 71 2.323 1.332 -4.206 555 HG23 ILE 71 HG23 ILE 71 2.870 0.090 -5.332 556 HD11 ILE 71 HD11 ILE 71 1.338 -1.331 -5.026 557 HD12 ILE 71 HD12 ILE 71 0.555 -2.428 -3.888 558 HD13 ILE 71 HD13 ILE 71 2.228 -2.706 -4.370 559 H TRP 72 H TRP 72 6.188 -1.541 -5.400 560 HA TRP 72 HA TRP 72 8.194 0.143 -4.094 561 HB2 TRP 72 HB2 TRP 72 8.294 -1.543 -6.606 562 HB3 TRP 72 HB3 TRP 72 9.648 -0.597 -5.999 563 HD1 TRP 72 HD1 TRP 72 7.568 -3.716 -5.157 564 HE1 TRP 72 HE1 TRP 72 8.917 -5.179 -3.523 565 HE3 TRP 72 HE3 TRP 72 11.468 -0.541 -4.264 566 HZ2 TRP 72 HZ2 TRP 72 11.322 -5.007 -2.051 567 HZ3 TRP 72 HZ3 TRP 72 13.253 -1.259 -2.733 568 HH2 TRP 72 HH2 TRP 72 13.182 -3.446 -1.649 569 H ALA 73 H ALA 73 8.497 2.249 -4.608 570 HA ALA 73 HA ALA 73 6.754 3.451 -6.567 571 HB1 ALA 73 HB1 ALA 73 7.141 4.484 -4.372 572 HB2 ALA 73 HB2 ALA 73 7.531 5.576 -5.703 573 HB3 ALA 73 HB3 ALA 73 8.825 4.770 -4.816 574 H ALA 74 H ALA 74 7.688 2.450 -8.473 575 HA ALA 74 HA ALA 74 8.700 2.629 -10.483 576 HB1 ALA 74 HB1 ALA 74 9.515 5.384 -9.590 577 HB2 ALA 74 HB2 ALA 74 7.947 4.960 -10.274 578 HB3 ALA 74 HB3 ALA 74 9.407 4.795 -11.249 579 H ASN 75 H ASN 75 11.052 4.409 -8.427 580 HA ASN 75 HA ASN 75 13.276 3.431 -9.937 581 HB2 ASN 75 HB2 ASN 75 13.212 4.918 -7.301 582 HB3 ASN 75 HB3 ASN 75 14.645 4.669 -8.294 583 HD21 ASN 75 HD21 ASN 75 13.456 7.156 -7.454 584 HD22 ASN 75 HD22 ASN 75 13.055 8.017 -8.899 585 H ALA 76 H ALA 76 11.824 1.222 -8.739 586 HA ALA 76 HA ALA 76 13.268 0.236 -6.473 587 HB1 ALA 76 HB1 ALA 76 11.997 -1.811 -6.797 588 HB2 ALA 76 HB2 ALA 76 11.466 -1.250 -8.384 589 HB3 ALA 76 HB3 ALA 76 10.943 -0.402 -6.931 590 H GLY 77 H GLY 77 13.269 -0.634 -9.941 591 HA2 GLY 77 HA2 GLY 77 14.961 -1.555 -11.234 592 HA3 GLY 77 HA3 GLY 77 16.017 -1.506 -9.833 593 H VAL 78 H VAL 78 12.876 -3.141 -10.108 594 HA VAL 78 HA VAL 78 14.214 -5.667 -9.400 595 HB VAL 78 HB VAL 78 11.995 -6.449 -8.635 596 HG11 VAL 78 HG11 VAL 78 12.836 -3.809 -7.430 597 HG12 VAL 78 HG12 VAL 78 13.520 -5.389 -7.045 598 HG13 VAL 78 HG13 VAL 78 11.840 -5.035 -6.642 599 HG21 VAL 78 HG21 VAL 78 10.568 -5.142 -10.112 600 HG22 VAL 78 HG22 VAL 78 11.085 -3.650 -9.323 601 HG23 VAL 78 HG23 VAL 78 10.138 -4.840 -8.428 602 H THR 79 H THR 79 12.884 -7.670 -10.168 603 HA THR 79 HA THR 79 13.172 -7.783 -12.989 604 HB THR 79 HB THR 79 11.820 -9.817 -11.195 605 HG1 THR 79 HG1 THR 79 13.825 -10.691 -10.920 606 HG21 THR 79 HG21 THR 79 12.397 -11.429 -12.955 607 HG22 THR 79 HG22 THR 79 13.067 -10.127 -13.938 608 HG23 THR 79 HG23 THR 79 11.340 -10.165 -13.583 609 H ALA 80 H ALA 80 11.753 -6.334 -13.973 610 HA ALA 80 HA ALA 80 9.879 -5.676 -15.070 611 HB1 ALA 80 HB1 ALA 80 8.519 -7.432 -16.035 612 HB2 ALA 80 HB2 ALA 80 9.134 -8.593 -14.857 613 HB3 ALA 80 HB3 ALA 80 10.220 -7.899 -16.062 614 H SER 81 H SER 81 8.125 -8.222 -13.354 615 HA SER 81 HA SER 81 6.921 -6.551 -11.414 616 HB2 SER 81 HB2 SER 81 5.778 -5.530 -13.310 617 HB3 SER 81 HB3 SER 81 5.233 -7.112 -13.865 618 HG SER 81 HG SER 81 3.977 -7.293 -11.990 619 HA PRO 82 HA PRO 82 6.132 -10.799 -9.802 620 HB2 PRO 82 HB2 PRO 82 5.135 -8.726 -7.861 621 HB3 PRO 82 HB3 PRO 82 5.935 -10.267 -7.535 622 HG2 PRO 82 HG2 PRO 82 7.357 -8.078 -7.376 623 HG3 PRO 82 HG3 PRO 82 8.029 -9.472 -8.249 624 HD2 PRO 82 HD2 PRO 82 6.822 -6.957 -9.329 625 HD3 PRO 82 HD3 PRO 82 8.222 -7.883 -9.916 626 HA PRO 83 HA PRO 83 2.399 -12.201 -8.287 627 HB2 PRO 83 HB2 PRO 83 4.851 -13.283 -9.646 628 HB3 PRO 83 HB3 PRO 83 3.504 -14.177 -8.915 629 HG2 PRO 83 HG2 PRO 83 3.580 -13.321 -11.577 630 HG3 PRO 83 HG3 PRO 83 2.110 -13.758 -10.688 631 HD2 PRO 83 HD2 PRO 83 2.684 -11.201 -11.716 632 HD3 PRO 83 HD3 PRO 83 1.477 -11.549 -10.453 633 H THR 84 H THR 84 3.336 -10.093 -7.029 634 HA THR 84 HA THR 84 3.396 -10.912 -4.600 635 HB THR 84 HB THR 84 5.312 -12.403 -4.745 636 HG1 THR 84 HG1 THR 84 4.864 -11.391 -2.745 637 HG21 THR 84 HG21 THR 84 6.726 -11.236 -6.375 638 HG22 THR 84 HG22 THR 84 7.617 -11.570 -4.890 639 HG23 THR 84 HG23 THR 84 7.013 -9.944 -5.211 640 H ASP 85 H ASP 85 6.100 -8.913 -5.882 641 HA ASP 85 HA ASP 85 5.150 -6.625 -4.366 642 HB2 ASP 85 HB2 ASP 85 7.405 -6.718 -6.388 643 HB3 ASP 85 HB3 ASP 85 7.149 -5.517 -5.130 644 H LEU 86 H LEU 86 5.123 -4.449 -5.675 645 HA LEU 86 HA LEU 86 4.073 -4.772 -8.400 646 HB2 LEU 86 HB2 LEU 86 2.691 -3.250 -6.183 647 HB3 LEU 86 HB3 LEU 86 2.285 -3.076 -7.880 648 HG LEU 86 HG LEU 86 2.014 -5.622 -6.265 649 HD11 LEU 86 HD11 LEU 86 -0.399 -5.260 -6.519 650 HD12 LEU 86 HD12 LEU 86 -0.083 -3.713 -7.305 651 HD13 LEU 86 HD13 LEU 86 0.365 -3.951 -5.617 652 HD21 LEU 86 HD21 LEU 86 2.533 -6.059 -8.625 653 HD22 LEU 86 HD22 LEU 86 1.185 -5.029 -9.111 654 HD23 LEU 86 HD23 LEU 86 0.881 -6.525 -8.227 655 H ILE 87 H ILE 87 4.877 -3.299 -9.788 656 HA ILE 87 HA ILE 87 6.621 -1.212 -8.749 657 HB ILE 87 HB ILE 87 6.105 -2.139 -11.586 658 HG12 ILE 87 HG12 ILE 87 8.527 -2.829 -11.441 659 HG13 ILE 87 HG13 ILE 87 8.500 -2.405 -9.736 660 HG21 ILE 87 HG21 ILE 87 7.948 -0.634 -12.259 661 HG22 ILE 87 HG22 ILE 87 7.979 0.033 -10.627 662 HG23 ILE 87 HG23 ILE 87 6.551 0.248 -11.640 663 HD11 ILE 87 HD11 ILE 87 8.278 -4.808 -10.101 664 HD12 ILE 87 HD12 ILE 87 6.802 -4.530 -11.027 665 HD13 ILE 87 HD13 ILE 87 6.853 -4.136 -9.309 666 H TRP 88 H TRP 88 5.627 0.553 -8.084 667 HA TRP 88 HA TRP 88 3.207 1.596 -9.186 668 HB2 TRP 88 HB2 TRP 88 4.004 1.795 -6.789 669 HB3 TRP 88 HB3 TRP 88 5.165 2.991 -7.344 670 HD1 TRP 88 HD1 TRP 88 2.216 3.735 -9.309 671 HE1 TRP 88 HE1 TRP 88 0.775 5.558 -8.204 672 HE3 TRP 88 HE3 TRP 88 4.275 3.686 -4.631 673 HZ2 TRP 88 HZ2 TRP 88 0.544 6.811 -5.694 674 HZ3 TRP 88 HZ3 TRP 88 3.387 5.229 -2.934 675 HH2 TRP 88 HH2 TRP 88 1.559 6.760 -3.458 676 H LYS 89 H LYS 89 3.426 2.219 -11.332 677 HA LYS 89 HA LYS 89 5.681 3.672 -12.323 678 HB2 LYS 89 HB2 LYS 89 2.938 3.258 -13.534 679 HB3 LYS 89 HB3 LYS 89 4.312 3.960 -14.377 680 HG2 LYS 89 HG2 LYS 89 5.541 1.822 -14.058 681 HG3 LYS 89 HG3 LYS 89 4.081 1.134 -13.340 682 HD2 LYS 89 HD2 LYS 89 2.853 1.573 -15.425 683 HD3 LYS 89 HD3 LYS 89 4.308 2.258 -16.144 684 HE2 LYS 89 HE2 LYS 89 4.011 -0.010 -16.927 685 HE3 LYS 89 HE3 LYS 89 5.432 0.068 -15.887 686 HZ1 LYS 89 HZ1 LYS 89 4.296 -0.993 -14.155 687 HZ2 LYS 89 HZ2 LYS 89 3.875 -1.865 -15.540 688 HZ3 LYS 89 HZ3 LYS 89 2.781 -0.766 -14.869 689 H ASN 90 H ASN 90 2.662 4.650 -10.884 690 HA ASN 90 HA ASN 90 2.478 7.224 -12.104 691 HB2 ASN 90 HB2 ASN 90 1.162 6.300 -9.542 692 HB3 ASN 90 HB3 ASN 90 0.660 7.645 -10.563 693 HD21 ASN 90 HD21 ASN 90 -0.339 7.203 -12.541 694 HD22 ASN 90 HD22 ASN 90 -1.024 5.655 -12.879 695 H GLN 91 H GLN 91 4.395 6.091 -9.470 696 HA GLN 91 HA GLN 91 5.260 8.836 -8.952 697 HB2 GLN 91 HB2 GLN 91 3.552 8.418 -7.231 698 HB3 GLN 91 HB3 GLN 91 4.416 6.971 -6.717 699 HG2 GLN 91 HG2 GLN 91 6.387 8.455 -6.213 700 HG3 GLN 91 HG3 GLN 91 5.332 9.834 -6.503 701 HE21 GLN 91 HE21 GLN 91 6.739 8.996 -4.092 702 HE22 GLN 91 HE22 GLN 91 5.531 8.824 -2.874 703 H ASN 92 H ASN 92 7.406 9.023 -8.565 704 HA ASN 92 HA ASN 92 9.030 6.596 -8.477 705 HB2 ASN 92 HB2 ASN 92 9.788 9.522 -8.707 706 HB3 ASN 92 HB3 ASN 92 10.962 8.214 -8.621 707 HD21 ASN 92 HD21 ASN 92 7.897 8.108 -10.354 708 HD22 ASN 92 HD22 ASN 92 8.593 7.998 -11.926 709 H SER 93 H SER 93 11.183 7.165 -7.004 710 HA SER 93 HA SER 93 10.443 6.626 -4.372 711 HB2 SER 93 HB2 SER 93 12.819 7.108 -3.800 712 HB3 SER 93 HB3 SER 93 12.654 6.067 -5.214 713 HG SER 93 HG SER 93 13.305 8.829 -5.121 714 H TRP 94 H TRP 94 9.600 7.875 -2.809 715 HA TRP 94 HA TRP 94 9.253 10.678 -3.208 716 HB2 TRP 94 HB2 TRP 94 8.216 10.627 -0.896 717 HB3 TRP 94 HB3 TRP 94 7.476 9.587 -2.102 718 HD1 TRP 94 HD1 TRP 94 9.562 9.402 1.126 719 HE1 TRP 94 HE1 TRP 94 9.370 7.011 2.079 720 HE3 TRP 94 HE3 TRP 94 7.037 7.190 -2.727 721 HZ2 TRP 94 HZ2 TRP 94 8.285 4.530 1.301 722 HZ3 TRP 94 HZ3 TRP 94 6.455 4.806 -2.540 723 HH2 TRP 94 HH2 TRP 94 7.066 3.506 -0.569 724 H GLY 95 H GLY 95 11.420 8.812 -1.114 725 HA2 GLY 95 HA2 GLY 95 13.230 9.447 0.156 726 HA3 GLY 95 HA3 GLY 95 13.440 10.705 -1.047 727 H THR 96 H THR 96 11.391 10.000 1.810 728 HA THR 96 HA THR 96 12.080 12.437 3.108 729 HB THR 96 HB THR 96 10.708 13.626 1.610 730 HG1 THR 96 HG1 THR 96 9.892 14.534 3.327 731 HG21 THR 96 HG21 THR 96 8.408 13.007 1.022 732 HG22 THR 96 HG22 THR 96 8.544 11.544 1.998 733 HG23 THR 96 HG23 THR 96 9.539 11.737 0.555 734 H GLY 97 H GLY 97 9.135 10.390 2.905 735 HA2 GLY 97 HA2 GLY 97 8.094 9.115 4.512 736 HA3 GLY 97 HA3 GLY 97 9.540 9.260 5.496 737 H GLU 98 H GLU 98 8.379 12.313 4.587 738 HA GLU 98 HA GLU 98 7.626 12.972 7.254 739 HB2 GLU 98 HB2 GLU 98 7.428 14.501 4.659 740 HB3 GLU 98 HB3 GLU 98 6.919 15.176 6.200 741 HG2 GLU 98 HG2 GLU 98 9.701 14.225 5.520 742 HG3 GLU 98 HG3 GLU 98 9.166 15.904 5.592 743 H ASP 99 H ASP 99 5.980 11.349 7.561 744 HA ASP 99 HA ASP 99 3.849 10.731 7.967 745 HB2 ASP 99 HB2 ASP 99 3.763 13.094 8.799 746 HB3 ASP 99 HB3 ASP 99 3.118 13.576 7.231 747 H VAL 100 H VAL 100 4.869 10.402 5.210 748 HA VAL 100 HA VAL 100 2.818 10.759 3.325 749 HB VAL 100 HB VAL 100 5.025 10.059 2.601 750 HG11 VAL 100 HG11 VAL 100 4.485 7.440 3.999 751 HG12 VAL 100 HG12 VAL 100 5.672 8.654 4.474 752 HG13 VAL 100 HG13 VAL 100 5.864 7.781 2.953 753 HG21 VAL 100 HG21 VAL 100 2.956 7.956 1.957 754 HG22 VAL 100 HG22 VAL 100 4.411 8.292 1.018 755 HG23 VAL 100 HG23 VAL 100 3.144 9.512 1.148 756 H LYS 101 H LYS 101 0.830 9.859 3.135 757 HA LYS 101 HA LYS 101 0.160 7.804 5.153 758 HB2 LYS 101 HB2 LYS 101 -0.514 10.129 5.738 759 HB3 LYS 101 HB3 LYS 101 -1.544 10.157 4.315 760 HG2 LYS 101 HG2 LYS 101 -2.951 8.449 5.207 761 HG3 LYS 101 HG3 LYS 101 -1.845 8.158 6.550 762 HD2 LYS 101 HD2 LYS 101 -3.317 10.760 6.074 763 HD3 LYS 101 HD3 LYS 101 -3.867 9.489 7.166 764 HE2 LYS 101 HE2 LYS 101 -2.774 11.094 8.523 765 HE3 LYS 101 HE3 LYS 101 -1.655 9.743 8.380 766 HZ1 LYS 101 HZ1 LYS 101 -0.554 11.895 8.137 767 HZ2 LYS 101 HZ2 LYS 101 -1.517 12.255 6.796 768 HZ3 LYS 101 HZ3 LYS 101 -0.412 10.977 6.729 769 H VAL 102 H VAL 102 -0.641 6.014 4.360 770 HA VAL 102 HA VAL 102 -1.783 5.844 1.698 771 HB VAL 102 HB VAL 102 -1.302 3.725 3.809 772 HG11 VAL 102 HG11 VAL 102 -3.117 3.025 2.363 773 HG12 VAL 102 HG12 VAL 102 -1.668 2.091 1.996 774 HG13 VAL 102 HG13 VAL 102 -2.160 3.406 0.931 775 HG21 VAL 102 HG21 VAL 102 0.239 4.361 1.286 776 HG22 VAL 102 HG22 VAL 102 0.583 3.045 2.409 777 HG23 VAL 102 HG23 VAL 102 0.759 4.720 2.935 778 H ILE 103 H ILE 103 -3.893 6.273 1.386 779 HA ILE 103 HA ILE 103 -5.850 5.622 3.498 780 HB ILE 103 HB ILE 103 -6.226 7.346 1.033 781 HG12 ILE 103 HG12 ILE 103 -4.658 8.372 2.642 782 HG13 ILE 103 HG13 ILE 103 -6.172 9.266 2.555 783 HG21 ILE 103 HG21 ILE 103 -8.022 6.888 3.417 784 HG22 ILE 103 HG22 ILE 103 -8.306 6.331 1.767 785 HG23 ILE 103 HG23 ILE 103 -8.313 8.057 2.129 786 HD11 ILE 103 HD11 ILE 103 -5.383 7.332 4.726 787 HD12 ILE 103 HD12 ILE 103 -6.905 8.220 4.640 788 HD13 ILE 103 HD13 ILE 103 -5.384 9.091 4.839 789 H LEU 104 H LEU 104 -6.883 3.715 3.259 790 HA LEU 104 HA LEU 104 -6.935 2.430 0.629 791 HB2 LEU 104 HB2 LEU 104 -7.588 1.365 3.381 792 HB3 LEU 104 HB3 LEU 104 -7.677 0.420 1.906 793 HG LEU 104 HG LEU 104 -5.169 1.641 3.075 794 HD11 LEU 104 HD11 LEU 104 -4.508 -0.670 3.501 795 HD12 LEU 104 HD12 LEU 104 -6.054 -1.240 2.873 796 HD13 LEU 104 HD13 LEU 104 -6.003 -0.275 4.349 797 HD21 LEU 104 HD21 LEU 104 -5.541 -0.086 0.620 798 HD22 LEU 104 HD22 LEU 104 -3.987 0.384 1.315 799 HD23 LEU 104 HD23 LEU 104 -5.060 1.611 0.640 800 H LYS 105 H LYS 105 -8.619 3.209 -0.563 801 HA LYS 105 HA LYS 105 -11.327 2.770 0.545 802 HB2 LYS 105 HB2 LYS 105 -10.378 4.651 -1.626 803 HB3 LYS 105 HB3 LYS 105 -12.078 4.265 -1.376 804 HG2 LYS 105 HG2 LYS 105 -11.935 5.139 0.916 805 HG3 LYS 105 HG3 LYS 105 -10.238 5.550 0.648 806 HD2 LYS 105 HD2 LYS 105 -10.824 7.166 -1.027 807 HD3 LYS 105 HD3 LYS 105 -12.509 6.642 -1.024 808 HE2 LYS 105 HE2 LYS 105 -12.215 8.744 0.202 809 HE3 LYS 105 HE3 LYS 105 -12.776 7.452 1.261 810 HZ1 LYS 105 HZ1 LYS 105 -10.586 7.208 2.148 811 HZ2 LYS 105 HZ2 LYS 105 -11.000 8.844 2.226 812 HZ3 LYS 105 HZ3 LYS 105 -9.940 8.301 1.028 813 H ASN 106 H ASN 106 -12.924 1.829 -0.933 814 HA ASN 106 HA ASN 106 -11.631 -0.298 -2.486 815 HB2 ASN 106 HB2 ASN 106 -14.416 -0.132 -1.314 816 HB3 ASN 106 HB3 ASN 106 -13.775 -1.514 -2.196 817 HD21 ASN 106 HD21 ASN 106 -11.108 -1.258 -1.038 818 HD22 ASN 106 HD22 ASN 106 -11.249 -1.816 0.585 819 H SER 107 H SER 107 -13.901 -1.172 -3.895 820 HA SER 107 HA SER 107 -13.389 -0.052 -6.365 821 HB2 SER 107 HB2 SER 107 -14.342 -2.273 -6.100 822 HB3 SER 107 HB3 SER 107 -15.839 -1.589 -5.471 823 HG SER 107 HG SER 107 -15.744 -2.211 -7.786 824 H GLN 108 H GLN 108 -16.263 0.616 -4.325 825 HA GLN 108 HA GLN 108 -17.315 2.415 -6.372 826 HB2 GLN 108 HB2 GLN 108 -18.481 1.607 -3.695 827 HB3 GLN 108 HB3 GLN 108 -19.314 2.521 -4.945 828 HG2 GLN 108 HG2 GLN 108 -19.229 0.617 -6.445 829 HG3 GLN 108 HG3 GLN 108 -18.299 -0.301 -5.262 830 HE21 GLN 108 HE21 GLN 108 -19.850 -1.925 -5.150 831 HE22 GLN 108 HE22 GLN 108 -21.368 -1.697 -4.363 832 H GLY 109 H GLY 109 -16.790 2.654 -2.856 833 HA2 GLY 109 HA2 GLY 109 -15.339 5.020 -2.802 834 HA3 GLY 109 HA3 GLY 109 -17.032 5.493 -2.783 835 H GLU 110 H GLU 110 -15.949 2.528 -1.298 836 HA GLU 110 HA GLU 110 -16.637 3.640 1.332 837 HB2 GLU 110 HB2 GLU 110 -16.853 1.233 2.039 838 HB3 GLU 110 HB3 GLU 110 -18.020 1.763 0.840 839 HG2 GLU 110 HG2 GLU 110 -15.507 0.296 0.076 840 HG3 GLU 110 HG3 GLU 110 -16.976 -0.548 0.555 841 H GLU 111 H GLU 111 -15.211 3.626 3.007 842 HA GLU 111 HA GLU 111 -12.415 3.093 2.267 843 HB2 GLU 111 HB2 GLU 111 -12.996 5.392 2.899 844 HB3 GLU 111 HB3 GLU 111 -13.569 4.825 4.462 845 HG2 GLU 111 HG2 GLU 111 -11.325 4.135 5.072 846 HG3 GLU 111 HG3 GLU 111 -10.728 4.599 3.478 847 H VAL 112 H VAL 112 -11.190 1.625 3.291 848 HA VAL 112 HA VAL 112 -12.398 -0.026 5.370 849 HB VAL 112 HB VAL 112 -9.739 -0.336 3.947 850 HG11 VAL 112 HG11 VAL 112 -9.748 -2.625 4.852 851 HG12 VAL 112 HG12 VAL 112 -11.216 -2.259 5.759 852 HG13 VAL 112 HG13 VAL 112 -9.713 -1.418 6.138 853 HG21 VAL 112 HG21 VAL 112 -11.625 -0.561 2.422 854 HG22 VAL 112 HG22 VAL 112 -12.386 -1.727 3.505 855 HG23 VAL 112 HG23 VAL 112 -10.871 -2.130 2.698 856 H ALA 113 H ALA 113 -9.183 1.533 4.978 857 HA ALA 113 HA ALA 113 -9.232 2.597 7.652 858 HB1 ALA 113 HB1 ALA 113 -8.699 0.247 8.130 859 HB2 ALA 113 HB2 ALA 113 -7.358 1.314 8.542 860 HB3 ALA 113 HB3 ALA 113 -7.296 0.349 7.066 861 H GLN 114 H GLN 114 -6.844 3.349 8.220 862 HA GLN 114 HA GLN 114 -5.443 4.300 5.818 863 HB2 GLN 114 HB2 GLN 114 -5.269 6.565 6.733 864 HB3 GLN 114 HB3 GLN 114 -6.958 6.112 6.529 865 HG2 GLN 114 HG2 GLN 114 -7.157 5.672 8.910 866 HG3 GLN 114 HG3 GLN 114 -5.448 6.027 9.141 867 HE21 GLN 114 HE21 GLN 114 -5.531 8.282 7.252 868 HE22 GLN 114 HE22 GLN 114 -6.323 9.560 8.097 869 H ARG 115 H ARG 115 -3.204 4.834 6.177 870 HA ARG 115 HA ARG 115 -2.071 4.366 8.819 871 HB2 ARG 115 HB2 ARG 115 -2.265 2.112 7.607 872 HB3 ARG 115 HB3 ARG 115 -1.047 2.720 6.497 873 HG2 ARG 115 HG2 ARG 115 0.294 1.592 7.957 874 HG3 ARG 115 HG3 ARG 115 0.286 3.173 8.737 875 HD2 ARG 115 HD2 ARG 115 -1.441 0.801 9.472 876 HD3 ARG 115 HD3 ARG 115 -0.053 1.401 10.377 877 HE ARG 115 HE ARG 115 -1.877 3.493 10.151 878 HH11 ARG 115 HH11 ARG 115 -1.700 0.388 11.647 879 HH12 ARG 115 HH12 ARG 115 -2.798 0.831 12.909 880 HH21 ARG 115 HH21 ARG 115 -3.262 4.034 11.767 881 HH22 ARG 115 HH22 ARG 115 -3.645 2.879 12.998 882 H SER 116 H SER 116 0.110 5.161 9.027 883 HA SER 116 HA SER 116 1.315 6.444 6.684 884 HB2 SER 116 HB2 SER 116 1.637 8.586 7.910 885 HB3 SER 116 HB3 SER 116 -0.063 8.221 7.621 886 HG SER 116 HG SER 116 1.259 8.546 9.968 887 H THR 117 H THR 117 3.512 7.427 7.277 888 HA THR 117 HA THR 117 5.121 5.409 8.456 889 HB THR 117 HB THR 117 6.988 7.138 8.245 890 HG1 THR 117 HG1 THR 117 6.470 9.110 7.711 891 HG21 THR 117 HG21 THR 117 5.367 6.514 5.770 892 HG22 THR 117 HG22 THR 117 6.551 5.446 6.523 893 HG23 THR 117 HG23 THR 117 7.071 6.973 5.808 894 H VAL 118 H VAL 118 5.251 5.005 10.558 895 HA VAL 118 HA VAL 118 4.792 6.922 12.617 896 HB VAL 118 HB VAL 118 4.352 4.571 13.033 897 HG11 VAL 118 HG11 VAL 118 6.164 2.919 13.235 898 HG12 VAL 118 HG12 VAL 118 7.319 4.132 12.681 899 HG13 VAL 118 HG13 VAL 118 6.043 3.574 11.602 900 HG21 VAL 118 HG21 VAL 118 4.943 5.964 14.959 901 HG22 VAL 118 HG22 VAL 118 6.642 5.538 14.753 902 HG23 VAL 118 HG23 VAL 118 5.468 4.296 15.187 903 H PHE 119 H PHE 119 6.196 8.232 13.697 904 HA PHE 119 HA PHE 119 8.914 8.407 12.647 905 HB2 PHE 119 HB2 PHE 119 7.401 10.264 14.500 906 HB3 PHE 119 HB3 PHE 119 9.018 10.562 13.868 907 HD1 PHE 119 HD1 PHE 119 9.342 10.917 11.420 908 HD2 PHE 119 HD2 PHE 119 5.466 10.692 13.178 909 HE1 PHE 119 HE1 PHE 119 8.375 11.966 9.417 910 HE2 PHE 119 HE2 PHE 119 4.496 11.734 11.169 911 HZ PHE 119 HZ PHE 119 5.951 12.374 9.291 912 H LYS 120 H LYS 120 9.801 6.549 13.621 913 HA LYS 120 HA LYS 120 9.940 6.326 16.506 914 HB2 LYS 120 HB2 LYS 120 11.256 4.324 16.105 915 HB3 LYS 120 HB3 LYS 120 9.857 4.320 15.040 916 HG2 LYS 120 HG2 LYS 120 11.285 5.127 13.195 917 HG3 LYS 120 HG3 LYS 120 12.681 5.056 14.270 918 HD2 LYS 120 HD2 LYS 120 10.954 2.711 13.456 919 HD3 LYS 120 HD3 LYS 120 12.555 3.080 12.818 920 HE2 LYS 120 HE2 LYS 120 11.887 2.375 15.679 921 HE3 LYS 120 HE3 LYS 120 12.680 1.329 14.505 922 HZ1 LYS 120 HZ1 LYS 120 13.751 3.800 15.740 923 HZ2 LYS 120 HZ2 LYS 120 14.467 3.065 14.394 924 HZ3 LYS 120 HZ3 LYS 120 14.361 2.230 15.857 925 H THR 121 H THR 121 11.745 7.816 14.011 926 HA THR 121 HA THR 121 13.659 9.021 13.918 927 HB THR 121 HB THR 121 13.663 8.868 16.948 928 HG1 THR 121 HG1 THR 121 13.048 11.287 15.943 929 HG21 THR 121 HG21 THR 121 15.877 9.432 16.083 930 HG22 THR 121 HG22 THR 121 15.129 10.853 16.814 931 HG23 THR 121 HG23 THR 121 15.176 10.686 15.058 932 H THR 122 H THR 122 14.994 7.667 12.881 933 HA THR 122 HA THR 122 16.626 6.163 12.431 934 HB THR 122 HB THR 122 18.581 6.083 13.928 935 HG1 THR 122 HG1 THR 122 17.057 6.374 15.886 936 HG21 THR 122 HG21 THR 122 18.346 7.958 12.377 937 HG22 THR 122 HG22 THR 122 19.131 8.478 13.870 938 HG23 THR 122 HG23 THR 122 17.432 8.860 13.587 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -0.925 -6.097 -21.233 2 H2 MET 1 H2 MET 1 -1.849 -5.002 -22.128 3 H3 MET 1 H3 MET 1 -0.540 -5.791 -22.851 4 HA MET 1 HA MET 1 -2.601 -6.761 -23.585 5 HB2 MET 1 HB2 MET 1 -0.574 -8.183 -23.301 6 HB3 MET 1 HB3 MET 1 -1.122 -8.602 -21.683 7 HG2 MET 1 HG2 MET 1 -3.080 -9.700 -22.591 8 HG3 MET 1 HG3 MET 1 -2.630 -9.205 -24.223 9 HE1 MET 1 HE1 MET 1 -2.804 -11.690 -25.115 10 HE2 MET 1 HE2 MET 1 -3.316 -12.202 -23.507 11 HE3 MET 1 HE3 MET 1 -2.018 -13.062 -24.335 12 H GLY 2 H GLY 2 -2.235 -7.092 -20.040 13 HA2 GLY 2 HA2 GLY 2 -3.864 -6.866 -18.407 14 HA3 GLY 2 HA3 GLY 2 -5.054 -6.594 -19.669 15 H HIS 3 H HIS 3 -6.112 -7.992 -17.815 16 HA HIS 3 HA HIS 3 -6.133 -10.758 -18.822 17 HB2 HIS 3 HB2 HIS 3 -6.108 -9.960 -15.899 18 HB3 HIS 3 HB3 HIS 3 -6.451 -11.585 -16.484 19 HD1 HIS 3 HD1 HIS 3 -3.748 -9.555 -15.290 20 HD2 HIS 3 HD2 HIS 3 -4.127 -12.646 -18.043 21 HE1 HIS 3 HE1 HIS 3 -1.430 -10.474 -15.593 22 HE2 HIS 3 HE2 HIS 3 -1.710 -12.432 -17.151 23 H HIS 4 H HIS 4 -8.134 -11.929 -18.308 24 HA HIS 4 HA HIS 4 -10.423 -10.294 -17.498 25 HB2 HIS 4 HB2 HIS 4 -10.289 -11.772 -20.138 26 HB3 HIS 4 HB3 HIS 4 -11.763 -11.095 -19.452 27 HD1 HIS 4 HD1 HIS 4 -11.668 -8.403 -19.075 28 HD2 HIS 4 HD2 HIS 4 -8.885 -10.030 -21.699 29 HE1 HIS 4 HE1 HIS 4 -10.788 -6.469 -20.412 30 HE2 HIS 4 HE2 HIS 4 -9.030 -7.459 -21.915 31 H HIS 5 H HIS 5 -10.973 -11.457 -15.744 32 HA HIS 5 HA HIS 5 -12.039 -14.134 -16.214 33 HB2 HIS 5 HB2 HIS 5 -9.915 -13.512 -14.164 34 HB3 HIS 5 HB3 HIS 5 -11.026 -14.861 -13.948 35 HD1 HIS 5 HD1 HIS 5 -7.739 -14.449 -14.954 36 HD2 HIS 5 HD2 HIS 5 -10.989 -16.353 -16.719 37 HE1 HIS 5 HE1 HIS 5 -6.761 -16.094 -16.576 38 HE2 HIS 5 HE2 HIS 5 -8.739 -17.115 -17.739 39 H HIS 6 H HIS 6 -13.916 -14.486 -15.235 40 HA HIS 6 HA HIS 6 -15.086 -12.271 -13.730 41 HB2 HIS 6 HB2 HIS 6 -16.278 -13.062 -15.699 42 HB3 HIS 6 HB3 HIS 6 -16.326 -14.697 -15.055 43 HD1 HIS 6 HD1 HIS 6 -18.018 -11.400 -14.859 44 HD2 HIS 6 HD2 HIS 6 -18.233 -15.102 -12.992 45 HE1 HIS 6 HE1 HIS 6 -20.187 -11.391 -13.598 46 HE2 HIS 6 HE2 HIS 6 -20.381 -13.711 -12.648 47 H HIS 7 H HIS 7 -15.108 -12.347 -11.570 48 HA HIS 7 HA HIS 7 -15.991 -14.781 -10.238 49 HB2 HIS 7 HB2 HIS 7 -14.153 -14.620 -8.529 50 HB3 HIS 7 HB3 HIS 7 -13.628 -15.135 -10.127 51 HD1 HIS 7 HD1 HIS 7 -13.326 -12.326 -7.683 52 HD2 HIS 7 HD2 HIS 7 -11.916 -13.353 -11.450 53 HE1 HIS 7 HE1 HIS 7 -11.462 -10.718 -8.164 54 HE2 HIS 7 HE2 HIS 7 -10.491 -11.505 -10.346 55 H HIS 8 H HIS 8 -17.541 -14.269 -8.867 56 HA HIS 8 HA HIS 8 -17.542 -11.597 -7.600 57 HB2 HIS 8 HB2 HIS 8 -19.178 -11.622 -9.403 58 HB3 HIS 8 HB3 HIS 8 -19.889 -13.108 -8.786 59 HD1 HIS 8 HD1 HIS 8 -19.423 -9.490 -7.711 60 HD2 HIS 8 HD2 HIS 8 -21.983 -12.704 -7.101 61 HE1 HIS 8 HE1 HIS 8 -21.320 -8.589 -6.339 62 HE2 HIS 8 HE2 HIS 8 -22.945 -10.497 -6.161 63 H SER 9 H SER 9 -17.425 -11.764 -5.444 64 HA SER 9 HA SER 9 -18.736 -14.048 -4.095 65 HB2 SER 9 HB2 SER 9 -15.954 -12.979 -3.526 66 HB3 SER 9 HB3 SER 9 -16.808 -14.121 -2.488 67 HG SER 9 HG SER 9 -15.698 -15.446 -3.751 68 H HIS 10 H HIS 10 -18.978 -13.686 -1.701 69 HA HIS 10 HA HIS 10 -19.845 -10.935 -1.177 70 HB2 HIS 10 HB2 HIS 10 -20.245 -13.481 0.419 71 HB3 HIS 10 HB3 HIS 10 -20.917 -11.910 0.843 72 HD1 HIS 10 HD1 HIS 10 -22.938 -11.072 -0.515 73 HD2 HIS 10 HD2 HIS 10 -21.534 -14.798 -1.714 74 HE1 HIS 10 HE1 HIS 10 -24.698 -11.998 -2.041 75 HE2 HIS 10 HE2 HIS 10 -23.923 -14.324 -2.587 76 H MET 11 H MET 11 -17.141 -12.853 -0.643 77 HA MET 11 HA MET 11 -16.326 -11.826 1.911 78 HB2 MET 11 HB2 MET 11 -14.733 -13.229 -0.248 79 HB3 MET 11 HB3 MET 11 -14.150 -12.889 1.377 80 HG2 MET 11 HG2 MET 11 -16.474 -14.667 0.663 81 HG3 MET 11 HG3 MET 11 -14.869 -15.199 1.160 82 HE1 MET 11 HE1 MET 11 -14.259 -12.949 3.441 83 HE2 MET 11 HE2 MET 11 -13.838 -14.655 3.593 84 HE3 MET 11 HE3 MET 11 -14.745 -13.854 4.876 85 H THR 12 H THR 12 -15.610 -9.824 2.264 86 HA THR 12 HA THR 12 -14.686 -8.135 0.084 87 HB THR 12 HB THR 12 -14.562 -6.347 1.802 88 HG1 THR 12 HG1 THR 12 -15.848 -7.496 3.824 89 HG21 THR 12 HG21 THR 12 -17.152 -7.913 1.831 90 HG22 THR 12 HG22 THR 12 -16.675 -6.722 0.618 91 HG23 THR 12 HG23 THR 12 -16.973 -6.218 2.282 92 H GLY 13 H GLY 13 -13.341 -8.817 3.335 93 HA2 GLY 13 HA2 GLY 13 -11.164 -9.662 3.758 94 HA3 GLY 13 HA3 GLY 13 -10.690 -9.215 2.129 95 H ASN 14 H ASN 14 -10.561 -8.358 5.390 96 HA ASN 14 HA ASN 14 -10.199 -5.526 5.042 97 HB2 ASN 14 HB2 ASN 14 -11.068 -6.422 7.152 98 HB3 ASN 14 HB3 ASN 14 -9.570 -7.309 7.413 99 HD21 ASN 14 HD21 ASN 14 -9.312 -6.224 9.391 100 HD22 ASN 14 HD22 ASN 14 -8.763 -4.587 9.455 101 H VAL 15 H VAL 15 -8.514 -4.939 3.799 102 HA VAL 15 HA VAL 15 -5.843 -6.050 4.367 103 HB VAL 15 HB VAL 15 -6.730 -4.371 2.002 104 HG11 VAL 15 HG11 VAL 15 -4.120 -5.806 2.539 105 HG12 VAL 15 HG12 VAL 15 -4.363 -4.059 2.489 106 HG13 VAL 15 HG13 VAL 15 -4.553 -5.019 1.021 107 HG21 VAL 15 HG21 VAL 15 -6.189 -7.342 2.186 108 HG22 VAL 15 HG22 VAL 15 -6.547 -6.452 0.705 109 HG23 VAL 15 HG23 VAL 15 -7.768 -6.584 1.970 110 H CYS 16 H CYS 16 -4.391 -4.840 5.456 111 HA CYS 16 HA CYS 16 -4.757 -1.915 5.574 112 HB2 CYS 16 HB2 CYS 16 -5.791 -2.853 7.592 113 HB3 CYS 16 HB3 CYS 16 -4.303 -3.714 7.972 114 HG CYS 16 HG CYS 16 -4.334 -1.663 9.753 115 H ILE 17 H ILE 17 -2.835 -0.745 6.334 116 HA ILE 17 HA ILE 17 -0.390 -1.970 5.324 117 HB ILE 17 HB ILE 17 -0.738 0.827 6.442 118 HG12 ILE 17 HG12 ILE 17 -0.643 1.434 3.913 119 HG13 ILE 17 HG13 ILE 17 -1.126 -0.236 3.641 120 HG21 ILE 17 HG21 ILE 17 1.419 -0.348 4.684 121 HG22 ILE 17 HG22 ILE 17 1.574 0.036 6.399 122 HG23 ILE 17 HG23 ILE 17 1.323 1.327 5.224 123 HD11 ILE 17 HD11 ILE 17 -3.030 1.275 3.589 124 HD12 ILE 17 HD12 ILE 17 -2.670 1.804 5.233 125 HD13 ILE 17 HD13 ILE 17 -3.160 0.137 4.929 126 H GLU 18 H GLU 18 1.251 -2.737 6.601 127 HA GLU 18 HA GLU 18 0.940 -2.400 9.516 128 HB2 GLU 18 HB2 GLU 18 0.912 -4.723 8.671 129 HB3 GLU 18 HB3 GLU 18 2.535 -4.501 8.027 130 HG2 GLU 18 HG2 GLU 18 3.471 -4.309 10.198 131 HG3 GLU 18 HG3 GLU 18 1.883 -4.155 10.946 132 H GLU 19 H GLU 19 3.283 -1.999 6.897 133 HA GLU 19 HA GLU 19 4.795 -0.211 8.642 134 HB2 GLU 19 HB2 GLU 19 5.928 -2.392 8.864 135 HB3 GLU 19 HB3 GLU 19 6.135 -2.461 7.117 136 HG2 GLU 19 HG2 GLU 19 7.584 -0.527 7.168 137 HG3 GLU 19 HG3 GLU 19 7.297 -0.317 8.894 138 H ILE 20 H ILE 20 5.884 1.432 7.577 139 HA ILE 20 HA ILE 20 5.664 1.541 4.635 140 HB ILE 20 HB ILE 20 5.124 3.881 6.487 141 HG12 ILE 20 HG12 ILE 20 3.168 2.284 4.799 142 HG13 ILE 20 HG13 ILE 20 3.291 2.222 6.555 143 HG21 ILE 20 HG21 ILE 20 4.902 3.632 3.481 144 HG22 ILE 20 HG22 ILE 20 6.129 4.544 4.365 145 HG23 ILE 20 HG23 ILE 20 4.439 5.046 4.429 146 HD11 ILE 20 HD11 ILE 20 2.499 4.610 4.910 147 HD12 ILE 20 HD12 ILE 20 2.665 4.591 6.665 148 HD13 ILE 20 HD13 ILE 20 1.435 3.597 5.884 149 H ASP 21 H ASP 21 7.557 2.078 3.664 150 HA ASP 21 HA ASP 21 9.858 2.782 5.229 151 HB2 ASP 21 HB2 ASP 21 10.166 1.383 3.292 152 HB3 ASP 21 HB3 ASP 21 9.421 2.586 2.241 153 H VAL 22 H VAL 22 11.038 4.717 5.173 154 HA VAL 22 HA VAL 22 9.410 7.097 4.555 155 HB VAL 22 HB VAL 22 10.063 6.770 6.925 156 HG11 VAL 22 HG11 VAL 22 12.888 7.162 5.924 157 HG12 VAL 22 HG12 VAL 22 12.217 5.675 6.592 158 HG13 VAL 22 HG13 VAL 22 12.393 7.100 7.617 159 HG21 VAL 22 HG21 VAL 22 10.873 9.056 7.315 160 HG22 VAL 22 HG22 VAL 22 9.608 9.015 6.087 161 HG23 VAL 22 HG23 VAL 22 11.296 9.197 5.609 162 H ASP 23 H ASP 23 12.393 5.501 3.792 163 HA ASP 23 HA ASP 23 13.914 7.689 2.851 164 HB2 ASP 23 HB2 ASP 23 14.959 5.570 3.387 165 HB3 ASP 23 HB3 ASP 23 13.997 4.737 2.174 166 H GLY 24 H GLY 24 12.067 5.252 0.995 167 HA2 GLY 24 HA2 GLY 24 10.572 6.559 -0.723 168 HA3 GLY 24 HA3 GLY 24 12.146 6.999 -1.367 169 H LYS 25 H LYS 25 11.054 3.894 -0.026 170 HA LYS 25 HA LYS 25 11.830 2.645 -2.584 171 HB2 LYS 25 HB2 LYS 25 11.924 1.503 0.214 172 HB3 LYS 25 HB3 LYS 25 12.307 0.604 -1.247 173 HG2 LYS 25 HG2 LYS 25 14.154 2.185 -1.703 174 HG3 LYS 25 HG3 LYS 25 13.789 3.009 -0.183 175 HD2 LYS 25 HD2 LYS 25 14.270 0.965 1.061 176 HD3 LYS 25 HD3 LYS 25 14.571 0.097 -0.445 177 HE2 LYS 25 HE2 LYS 25 16.675 0.721 0.573 178 HE3 LYS 25 HE3 LYS 25 16.449 1.628 -0.922 179 HZ1 LYS 25 HZ1 LYS 25 15.781 3.544 0.355 180 HZ2 LYS 25 HZ2 LYS 25 17.291 3.005 0.895 181 HZ3 LYS 25 HZ3 LYS 25 15.902 2.675 1.802 182 H PHE 26 H PHE 26 9.628 1.920 0.206 183 HA PHE 26 HA PHE 26 7.606 0.986 -1.677 184 HB2 PHE 26 HB2 PHE 26 7.545 -1.299 -0.829 185 HB3 PHE 26 HB3 PHE 26 9.137 -0.931 -1.482 186 HD1 PHE 26 HD1 PHE 26 11.067 -0.636 0.030 187 HD2 PHE 26 HD2 PHE 26 7.232 -1.764 1.513 188 HE1 PHE 26 HE1 PHE 26 12.099 -1.348 2.144 189 HE2 PHE 26 HE2 PHE 26 8.264 -2.476 3.633 190 HZ PHE 26 HZ PHE 26 10.700 -2.267 3.950 191 H ILE 27 H ILE 27 5.643 0.164 -0.658 192 HA ILE 27 HA ILE 27 5.257 0.898 2.183 193 HB ILE 27 HB ILE 27 3.153 1.039 -0.005 194 HG12 ILE 27 HG12 ILE 27 4.532 3.300 1.486 195 HG13 ILE 27 HG13 ILE 27 4.831 2.856 -0.193 196 HG21 ILE 27 HG21 ILE 27 1.731 2.061 1.717 197 HG22 ILE 27 HG22 ILE 27 3.006 1.829 2.912 198 HG23 ILE 27 HG23 ILE 27 2.224 0.430 2.175 199 HD11 ILE 27 HD11 ILE 27 2.534 3.442 -0.762 200 HD12 ILE 27 HD12 ILE 27 3.378 4.799 -0.015 201 HD13 ILE 27 HD13 ILE 27 2.218 3.859 0.924 202 H ARG 28 H ARG 28 4.450 -0.766 3.458 203 HA ARG 28 HA ARG 28 4.032 -3.332 2.076 204 HB2 ARG 28 HB2 ARG 28 5.837 -3.293 3.714 205 HB3 ARG 28 HB3 ARG 28 4.724 -2.754 4.964 206 HG2 ARG 28 HG2 ARG 28 3.513 -4.867 4.823 207 HG3 ARG 28 HG3 ARG 28 4.593 -5.411 3.536 208 HD2 ARG 28 HD2 ARG 28 5.436 -4.705 6.350 209 HD3 ARG 28 HD3 ARG 28 5.197 -6.342 5.741 210 HE ARG 28 HE ARG 28 7.014 -5.497 4.030 211 HH11 ARG 28 HH11 ARG 28 6.884 -5.054 7.443 212 HH12 ARG 28 HH12 ARG 28 8.603 -4.929 7.600 213 HH21 ARG 28 HH21 ARG 28 9.215 -5.350 4.246 214 HH22 ARG 28 HH22 ARG 28 9.904 -5.103 5.816 215 H LEU 29 H LEU 29 1.890 -3.468 1.572 216 HA LEU 29 HA LEU 29 -0.149 -3.041 3.619 217 HB2 LEU 29 HB2 LEU 29 -0.316 -3.942 0.737 218 HB3 LEU 29 HB3 LEU 29 -1.710 -3.858 1.794 219 HG LEU 29 HG LEU 29 -1.283 -1.401 2.059 220 HD11 LEU 29 HD11 LEU 29 1.080 -1.350 1.484 221 HD12 LEU 29 HD12 LEU 29 0.151 -0.281 0.435 222 HD13 LEU 29 HD13 LEU 29 0.704 -1.846 -0.166 223 HD21 LEU 29 HD21 LEU 29 -2.977 -2.210 0.524 224 HD22 LEU 29 HD22 LEU 29 -1.766 -2.418 -0.744 225 HD23 LEU 29 HD23 LEU 29 -2.165 -0.802 -0.157 226 H LYS 30 H LYS 30 -1.693 -4.798 4.170 227 HA LYS 30 HA LYS 30 -0.583 -7.499 3.982 228 HB2 LYS 30 HB2 LYS 30 0.498 -6.331 5.925 229 HB3 LYS 30 HB3 LYS 30 -1.093 -6.164 6.649 230 HG2 LYS 30 HG2 LYS 30 -1.308 -8.576 6.815 231 HG3 LYS 30 HG3 LYS 30 0.242 -8.791 5.992 232 HD2 LYS 30 HD2 LYS 30 1.303 -7.463 7.847 233 HD3 LYS 30 HD3 LYS 30 -0.244 -7.515 8.688 234 HE2 LYS 30 HE2 LYS 30 -0.134 -9.966 8.723 235 HE3 LYS 30 HE3 LYS 30 1.415 -9.905 7.881 236 HZ1 LYS 30 HZ1 LYS 30 1.868 -10.160 10.174 237 HZ2 LYS 30 HZ2 LYS 30 0.808 -8.918 10.611 238 HZ3 LYS 30 HZ3 LYS 30 2.244 -8.554 9.797 239 H ASN 31 H ASN 31 -2.173 -8.944 3.737 240 HA ASN 31 HA ASN 31 -4.946 -8.200 4.183 241 HB2 ASN 31 HB2 ASN 31 -4.378 -9.463 2.169 242 HB3 ASN 31 HB3 ASN 31 -3.690 -10.761 3.144 243 HD21 ASN 31 HD21 ASN 31 -5.088 -12.316 2.356 244 HD22 ASN 31 HD22 ASN 31 -6.770 -12.344 2.737 245 H THR 32 H THR 32 -5.721 -8.328 6.236 246 HA THR 32 HA THR 32 -4.697 -10.417 8.034 247 HB THR 32 HB THR 32 -4.838 -8.037 8.832 248 HG1 THR 32 HG1 THR 32 -6.535 -9.718 10.380 249 HG21 THR 32 HG21 THR 32 -7.027 -7.166 9.528 250 HG22 THR 32 HG22 THR 32 -7.818 -8.558 8.786 251 HG23 THR 32 HG23 THR 32 -6.953 -7.395 7.782 252 H SER 33 H SER 33 -6.886 -10.476 5.745 253 HA SER 33 HA SER 33 -9.180 -11.556 7.145 254 HB2 SER 33 HB2 SER 33 -9.540 -10.316 5.066 255 HB3 SER 33 HB3 SER 33 -8.536 -11.464 4.182 256 HG SER 33 HG SER 33 -10.522 -12.240 3.835 257 H GLU 34 H GLU 34 -9.935 -13.704 6.992 258 HA GLU 34 HA GLU 34 -7.796 -15.678 7.042 259 HB2 GLU 34 HB2 GLU 34 -10.757 -16.025 7.593 260 HB3 GLU 34 HB3 GLU 34 -9.477 -17.159 8.005 261 HG2 GLU 34 HG2 GLU 34 -8.540 -15.562 9.584 262 HG3 GLU 34 HG3 GLU 34 -9.774 -14.383 9.145 263 H GLN 35 H GLN 35 -8.164 -14.768 4.438 264 HA GLN 35 HA GLN 35 -8.714 -17.159 2.991 265 HB2 GLN 35 HB2 GLN 35 -11.035 -16.557 3.392 266 HB3 GLN 35 HB3 GLN 35 -10.753 -14.923 2.807 267 HG2 GLN 35 HG2 GLN 35 -10.347 -15.779 0.563 268 HG3 GLN 35 HG3 GLN 35 -10.571 -17.429 1.140 269 HE21 GLN 35 HE21 GLN 35 -12.028 -15.867 -0.881 270 HE22 GLN 35 HE22 GLN 35 -13.681 -15.916 -0.390 271 H ASP 36 H ASP 36 -8.194 -17.001 0.739 272 HA ASP 36 HA ASP 36 -6.231 -15.064 0.063 273 HB2 ASP 36 HB2 ASP 36 -7.717 -16.875 -1.855 274 HB3 ASP 36 HB3 ASP 36 -6.126 -16.156 -2.080 275 H GLN 37 H GLN 37 -6.834 -12.965 -0.160 276 HA GLN 37 HA GLN 37 -9.368 -12.311 -1.475 277 HB2 GLN 37 HB2 GLN 37 -7.401 -10.510 -0.043 278 HB3 GLN 37 HB3 GLN 37 -8.991 -10.036 -0.632 279 HG2 GLN 37 HG2 GLN 37 -8.458 -12.105 1.502 280 HG3 GLN 37 HG3 GLN 37 -8.975 -10.447 1.788 281 HE21 GLN 37 HE21 GLN 37 -10.826 -10.382 -0.430 282 HE22 GLN 37 HE22 GLN 37 -12.175 -11.350 0.028 283 HA PRO 38 HA PRO 38 -7.091 -11.376 -5.285 284 HB2 PRO 38 HB2 PRO 38 -9.748 -10.536 -6.256 285 HB3 PRO 38 HB3 PRO 38 -8.670 -11.789 -6.879 286 HG2 PRO 38 HG2 PRO 38 -10.957 -12.404 -5.606 287 HG3 PRO 38 HG3 PRO 38 -9.499 -13.404 -5.442 288 HD2 PRO 38 HD2 PRO 38 -10.604 -11.341 -3.555 289 HD3 PRO 38 HD3 PRO 38 -9.942 -12.953 -3.196 290 H MET 39 H MET 39 -5.952 -9.511 -5.354 291 HA MET 39 HA MET 39 -6.983 -7.060 -4.260 292 HB2 MET 39 HB2 MET 39 -4.577 -7.877 -4.145 293 HB3 MET 39 HB3 MET 39 -4.423 -7.404 -5.828 294 HG2 MET 39 HG2 MET 39 -3.639 -5.501 -4.909 295 HG3 MET 39 HG3 MET 39 -5.350 -5.100 -4.827 296 HE1 MET 39 HE1 MET 39 -6.170 -5.857 -1.047 297 HE2 MET 39 HE2 MET 39 -6.384 -6.951 -2.414 298 HE3 MET 39 HE3 MET 39 -6.804 -5.244 -2.574 299 H GLY 40 H GLY 40 -8.833 -6.807 -5.744 300 HA2 GLY 40 HA2 GLY 40 -8.040 -5.714 -8.387 301 HA3 GLY 40 HA3 GLY 40 -9.527 -6.603 -8.116 302 H GLY 41 H GLY 41 -11.009 -5.555 -6.400 303 HA2 GLY 41 HA2 GLY 41 -11.573 -2.882 -7.317 304 HA3 GLY 41 HA3 GLY 41 -12.514 -3.807 -6.162 305 H TRP 42 H TRP 42 -9.142 -2.651 -6.100 306 HA TRP 42 HA TRP 42 -9.763 -1.085 -3.678 307 HB2 TRP 42 HB2 TRP 42 -7.427 -2.956 -4.132 308 HB3 TRP 42 HB3 TRP 42 -7.446 -1.740 -2.862 309 HD1 TRP 42 HD1 TRP 42 -9.369 -4.940 -3.904 310 HE1 TRP 42 HE1 TRP 42 -10.368 -5.989 -1.774 311 HE3 TRP 42 HE3 TRP 42 -8.082 -1.319 -0.524 312 HZ2 TRP 42 HZ2 TRP 42 -10.580 -5.372 0.962 313 HZ3 TRP 42 HZ3 TRP 42 -8.722 -1.631 1.834 314 HH2 TRP 42 HH2 TRP 42 -9.946 -3.617 2.558 315 H GLU 43 H GLU 43 -8.801 0.895 -3.528 316 HA GLU 43 HA GLU 43 -6.720 1.619 -5.482 317 HB2 GLU 43 HB2 GLU 43 -8.874 2.402 -6.387 318 HB3 GLU 43 HB3 GLU 43 -9.192 3.271 -4.891 319 HG2 GLU 43 HG2 GLU 43 -7.339 4.762 -5.305 320 HG3 GLU 43 HG3 GLU 43 -6.866 3.837 -6.730 321 H MET 44 H MET 44 -5.040 2.593 -4.546 322 HA MET 44 HA MET 44 -5.319 3.469 -1.750 323 HB2 MET 44 HB2 MET 44 -3.713 1.668 -2.159 324 HB3 MET 44 HB3 MET 44 -2.854 2.673 -3.319 325 HG2 MET 44 HG2 MET 44 -2.216 4.213 -1.571 326 HG3 MET 44 HG3 MET 44 -3.170 3.313 -0.392 327 HE1 MET 44 HE1 MET 44 0.608 1.601 -2.441 328 HE2 MET 44 HE2 MET 44 -0.060 3.193 -2.799 329 HE3 MET 44 HE3 MET 44 -0.945 1.742 -3.263 330 H ILE 45 H ILE 45 -4.955 5.530 -1.142 331 HA ILE 45 HA ILE 45 -3.676 7.383 -3.061 332 HB ILE 45 HB ILE 45 -5.978 8.073 -1.215 333 HG12 ILE 45 HG12 ILE 45 -5.904 7.681 -4.219 334 HG13 ILE 45 HG13 ILE 45 -6.798 6.713 -3.056 335 HG21 ILE 45 HG21 ILE 45 -5.964 10.248 -2.356 336 HG22 ILE 45 HG22 ILE 45 -4.563 9.748 -3.301 337 HG23 ILE 45 HG23 ILE 45 -4.426 9.937 -1.552 338 HD11 ILE 45 HD11 ILE 45 -8.221 8.618 -2.555 339 HD12 ILE 45 HD12 ILE 45 -8.249 8.235 -4.275 340 HD13 ILE 45 HD13 ILE 45 -7.311 9.611 -3.693 341 H ARG 46 H ARG 46 -1.797 8.102 -2.218 342 HA ARG 46 HA ARG 46 -1.547 8.285 0.708 343 HB2 ARG 46 HB2 ARG 46 0.154 6.957 -0.600 344 HB3 ARG 46 HB3 ARG 46 0.696 8.469 -1.319 345 HG2 ARG 46 HG2 ARG 46 1.375 9.320 0.820 346 HG3 ARG 46 HG3 ARG 46 0.651 7.944 1.650 347 HD2 ARG 46 HD2 ARG 46 2.266 6.464 0.423 348 HD3 ARG 46 HD3 ARG 46 3.059 7.926 -0.171 349 HE ARG 46 HE ARG 46 2.864 8.105 2.612 350 HH11 ARG 46 HH11 ARG 46 4.549 6.237 0.258 351 HH12 ARG 46 HH12 ARG 46 5.867 5.899 1.319 352 HH21 ARG 46 HH21 ARG 46 4.552 7.678 3.951 353 HH22 ARG 46 HH22 ARG 46 5.875 6.710 3.395 354 H LYS 47 H LYS 47 -1.613 10.191 1.683 355 HA LYS 47 HA LYS 47 -1.616 12.636 0.057 356 HB2 LYS 47 HB2 LYS 47 -2.556 12.146 2.896 357 HB3 LYS 47 HB3 LYS 47 -2.690 13.675 2.037 358 HG2 LYS 47 HG2 LYS 47 -4.160 12.618 0.382 359 HG3 LYS 47 HG3 LYS 47 -4.032 11.088 1.250 360 HD2 LYS 47 HD2 LYS 47 -5.170 13.652 2.383 361 HD3 LYS 47 HD3 LYS 47 -6.121 12.299 1.770 362 HE2 LYS 47 HE2 LYS 47 -5.132 10.843 3.492 363 HE3 LYS 47 HE3 LYS 47 -4.214 12.214 4.113 364 HZ1 LYS 47 HZ1 LYS 47 -7.177 12.014 4.028 365 HZ2 LYS 47 HZ2 LYS 47 -6.295 13.329 4.626 366 HZ3 LYS 47 HZ3 LYS 47 -6.214 11.832 5.406 367 H ILE 48 H ILE 48 -0.165 14.269 0.328 368 HA ILE 48 HA ILE 48 1.740 14.109 2.570 369 HB ILE 48 HB ILE 48 2.958 13.244 0.710 370 HG12 ILE 48 HG12 ILE 48 3.708 16.155 1.124 371 HG13 ILE 48 HG13 ILE 48 4.201 14.808 2.142 372 HG21 ILE 48 HG21 ILE 48 1.555 13.999 -1.112 373 HG22 ILE 48 HG22 ILE 48 3.230 14.459 -1.416 374 HG23 ILE 48 HG23 ILE 48 2.070 15.666 -0.858 375 HD11 ILE 48 HD11 ILE 48 5.983 15.514 0.657 376 HD12 ILE 48 HD12 ILE 48 4.959 15.197 -0.744 377 HD13 ILE 48 HD13 ILE 48 5.472 13.866 0.294 378 H GLY 49 H GLY 49 0.723 15.736 3.707 379 HA2 GLY 49 HA2 GLY 49 0.260 17.878 4.379 380 HA3 GLY 49 HA3 GLY 49 1.568 18.362 3.314 381 H ASP 50 H ASP 50 1.078 18.972 1.161 382 HA ASP 50 HA ASP 50 -1.504 20.267 0.894 383 HB2 ASP 50 HB2 ASP 50 0.571 21.465 0.314 384 HB3 ASP 50 HB3 ASP 50 0.915 20.276 -0.937 385 H THR 51 H THR 51 0.404 18.151 -1.301 386 HA THR 51 HA THR 51 -2.051 17.645 -2.828 387 HB THR 51 HB THR 51 -0.109 18.418 -4.104 388 HG1 THR 51 HG1 THR 51 -1.154 17.235 -5.522 389 HG21 THR 51 HG21 THR 51 1.858 16.978 -4.411 390 HG22 THR 51 HG22 THR 51 1.218 15.840 -3.225 391 HG23 THR 51 HG23 THR 51 1.683 17.467 -2.726 392 H SER 52 H SER 52 -1.915 15.348 -3.998 393 HA SER 52 HA SER 52 -1.193 13.189 -2.167 394 HB2 SER 52 HB2 SER 52 -3.478 12.227 -2.180 395 HB3 SER 52 HB3 SER 52 -3.444 13.806 -1.397 396 HG SER 52 HG SER 52 -4.115 14.657 -3.509 397 H VAL 53 H VAL 53 -1.188 11.100 -3.178 398 HA VAL 53 HA VAL 53 -1.569 11.115 -6.111 399 HB VAL 53 HB VAL 53 0.827 11.291 -5.649 400 HG11 VAL 53 HG11 VAL 53 2.043 9.495 -4.507 401 HG12 VAL 53 HG12 VAL 53 0.513 8.712 -4.112 402 HG13 VAL 53 HG13 VAL 53 0.895 10.294 -3.432 403 HG21 VAL 53 HG21 VAL 53 1.598 9.345 -6.939 404 HG22 VAL 53 HG22 VAL 53 0.126 10.040 -7.621 405 HG23 VAL 53 HG23 VAL 53 0.043 8.556 -6.673 406 H SER 54 H SER 54 -2.489 9.284 -7.006 407 HA SER 54 HA SER 54 -3.361 7.207 -5.086 408 HB2 SER 54 HB2 SER 54 -5.485 7.061 -6.323 409 HB3 SER 54 HB3 SER 54 -5.222 8.679 -5.674 410 HG SER 54 HG SER 54 -5.946 8.807 -7.803 411 H TYR 55 H TYR 55 -3.991 5.143 -6.014 412 HA TYR 55 HA TYR 55 -3.175 4.379 -8.660 413 HB2 TYR 55 HB2 TYR 55 -0.964 4.420 -7.686 414 HB3 TYR 55 HB3 TYR 55 -1.506 3.508 -6.284 415 HD1 TYR 55 HD1 TYR 55 -0.909 3.258 -9.951 416 HD2 TYR 55 HD2 TYR 55 -1.466 1.141 -6.297 417 HE1 TYR 55 HE1 TYR 55 -0.251 1.165 -11.065 418 HE2 TYR 55 HE2 TYR 55 -0.814 -0.953 -7.404 419 HH TYR 55 HH TYR 55 -0.731 -1.896 -9.658 420 H LYS 56 H LYS 56 -4.755 2.994 -9.222 421 HA LYS 56 HA LYS 56 -6.052 1.312 -7.230 422 HB2 LYS 56 HB2 LYS 56 -7.446 2.428 -8.909 423 HB3 LYS 56 HB3 LYS 56 -6.574 1.607 -10.198 424 HG2 LYS 56 HG2 LYS 56 -7.370 -0.562 -9.306 425 HG3 LYS 56 HG3 LYS 56 -8.315 0.316 -8.103 426 HD2 LYS 56 HD2 LYS 56 -9.635 1.359 -9.849 427 HD3 LYS 56 HD3 LYS 56 -8.631 0.609 -11.094 428 HE2 LYS 56 HE2 LYS 56 -10.378 -0.844 -9.100 429 HE3 LYS 56 HE3 LYS 56 -10.732 -0.607 -10.811 430 HZ1 LYS 56 HZ1 LYS 56 -8.415 -2.127 -9.731 431 HZ2 LYS 56 HZ2 LYS 56 -8.787 -1.916 -11.364 432 HZ3 LYS 56 HZ3 LYS 56 -9.822 -2.806 -10.372 433 H TYR 57 H TYR 57 -6.211 -0.974 -7.375 434 HA TYR 57 HA TYR 57 -3.831 -2.243 -8.543 435 HB2 TYR 57 HB2 TYR 57 -5.804 -3.320 -6.509 436 HB3 TYR 57 HB3 TYR 57 -4.293 -4.083 -6.994 437 HD1 TYR 57 HD1 TYR 57 -2.116 -2.999 -6.380 438 HD2 TYR 57 HD2 TYR 57 -5.836 -1.590 -4.866 439 HE1 TYR 57 HE1 TYR 57 -0.927 -1.773 -4.618 440 HE2 TYR 57 HE2 TYR 57 -4.654 -0.360 -3.097 441 HH TYR 57 HH TYR 57 -2.501 -0.415 -1.932 442 H THR 58 H THR 58 -4.158 -4.574 -9.290 443 HA THR 58 HA THR 58 -6.681 -4.903 -10.790 444 HB THR 58 HB THR 58 -5.132 -4.109 -12.444 445 HG1 THR 58 HG1 THR 58 -6.439 -5.875 -13.114 446 HG21 THR 58 HG21 THR 58 -3.241 -6.282 -11.515 447 HG22 THR 58 HG22 THR 58 -3.022 -4.545 -11.299 448 HG23 THR 58 HG23 THR 58 -2.996 -5.243 -12.919 449 H SER 59 H SER 59 -7.543 -6.912 -10.788 450 HA SER 59 HA SER 59 -6.542 -8.761 -8.847 451 HB2 SER 59 HB2 SER 59 -8.960 -8.404 -9.147 452 HB3 SER 59 HB3 SER 59 -8.871 -9.071 -10.775 453 HG SER 59 HG SER 59 -8.307 -11.072 -9.885 454 H ARG 60 H ARG 60 -4.485 -9.389 -9.738 455 HA ARG 60 HA ARG 60 -4.811 -11.655 -11.601 456 HB2 ARG 60 HB2 ARG 60 -2.609 -11.198 -12.575 457 HB3 ARG 60 HB3 ARG 60 -3.710 -9.850 -12.816 458 HG2 ARG 60 HG2 ARG 60 -2.632 -8.620 -11.007 459 HG3 ARG 60 HG3 ARG 60 -1.543 -9.980 -10.720 460 HD2 ARG 60 HD2 ARG 60 -1.721 -8.333 -13.249 461 HD3 ARG 60 HD3 ARG 60 -0.437 -8.259 -12.043 462 HE ARG 60 HE ARG 60 -0.717 -10.898 -13.046 463 HH11 ARG 60 HH11 ARG 60 0.546 -7.800 -13.916 464 HH12 ARG 60 HH12 ARG 60 1.746 -8.473 -14.964 465 HH21 ARG 60 HH21 ARG 60 0.810 -11.725 -14.414 466 HH22 ARG 60 HH22 ARG 60 1.894 -10.650 -15.236 467 H TYR 61 H TYR 61 -4.250 -10.935 -8.530 468 HA TYR 61 HA TYR 61 -2.990 -13.469 -7.995 469 HB2 TYR 61 HB2 TYR 61 -1.141 -12.604 -6.646 470 HB3 TYR 61 HB3 TYR 61 -1.009 -12.023 -8.300 471 HD1 TYR 61 HD1 TYR 61 -1.796 -9.636 -8.796 472 HD2 TYR 61 HD2 TYR 61 -1.156 -11.090 -4.845 473 HE1 TYR 61 HE1 TYR 61 -1.646 -7.325 -7.974 474 HE2 TYR 61 HE2 TYR 61 -0.996 -8.784 -4.015 475 HH TYR 61 HH TYR 61 -0.487 -6.548 -4.873 476 H VAL 62 H VAL 62 -3.128 -14.076 -5.727 477 HA VAL 62 HA VAL 62 -5.275 -12.596 -4.332 478 HB VAL 62 HB VAL 62 -5.935 -14.766 -3.311 479 HG11 VAL 62 HG11 VAL 62 -5.958 -14.711 -6.333 480 HG12 VAL 62 HG12 VAL 62 -7.122 -13.923 -5.265 481 HG13 VAL 62 HG13 VAL 62 -7.023 -15.685 -5.315 482 HG21 VAL 62 HG21 VAL 62 -3.947 -15.949 -5.264 483 HG22 VAL 62 HG22 VAL 62 -5.110 -16.865 -4.303 484 HG23 VAL 62 HG23 VAL 62 -3.819 -15.969 -3.505 485 H LEU 63 H LEU 63 -4.909 -11.886 -2.321 486 HA LEU 63 HA LEU 63 -2.343 -12.385 -1.069 487 HB2 LEU 63 HB2 LEU 63 -4.688 -10.649 -0.282 488 HB3 LEU 63 HB3 LEU 63 -3.244 -10.806 0.699 489 HG LEU 63 HG LEU 63 -3.110 -8.764 -0.553 490 HD11 LEU 63 HD11 LEU 63 -1.009 -9.076 -1.749 491 HD12 LEU 63 HD12 LEU 63 -1.271 -10.820 -1.779 492 HD13 LEU 63 HD13 LEU 63 -1.021 -9.991 -0.242 493 HD21 LEU 63 HD21 LEU 63 -4.665 -9.302 -2.355 494 HD22 LEU 63 HD22 LEU 63 -3.496 -10.427 -3.046 495 HD23 LEU 63 HD23 LEU 63 -3.140 -8.700 -3.002 496 H LYS 64 H LYS 64 -2.038 -14.134 0.140 497 HA LYS 64 HA LYS 64 -4.084 -15.743 1.252 498 HB2 LYS 64 HB2 LYS 64 -1.111 -15.627 1.804 499 HB3 LYS 64 HB3 LYS 64 -2.176 -16.857 2.473 500 HG2 LYS 64 HG2 LYS 64 -2.723 -17.626 0.219 501 HG3 LYS 64 HG3 LYS 64 -1.688 -16.374 -0.468 502 HD2 LYS 64 HD2 LYS 64 -0.671 -18.485 1.439 503 HD3 LYS 64 HD3 LYS 64 -0.683 -18.698 -0.312 504 HE2 LYS 64 HE2 LYS 64 0.698 -16.415 1.108 505 HE3 LYS 64 HE3 LYS 64 1.501 -17.906 0.618 506 HZ1 LYS 64 HZ1 LYS 64 0.173 -15.966 -1.203 507 HZ2 LYS 64 HZ2 LYS 64 0.895 -17.417 -1.684 508 HZ3 LYS 64 HZ3 LYS 64 1.837 -16.181 -1.019 509 H ALA 65 H ALA 65 -4.140 -16.339 3.636 510 HA ALA 65 HA ALA 65 -4.854 -14.117 5.220 511 HB1 ALA 65 HB1 ALA 65 -5.804 -16.344 5.555 512 HB2 ALA 65 HB2 ALA 65 -5.096 -15.728 7.049 513 HB3 ALA 65 HB3 ALA 65 -4.235 -16.942 6.099 514 H GLY 66 H GLY 66 -3.418 -12.620 5.875 515 HA2 GLY 66 HA2 GLY 66 -1.749 -11.822 7.330 516 HA3 GLY 66 HA3 GLY 66 -1.110 -13.451 7.471 517 H GLN 67 H GLN 67 -1.646 -12.707 4.236 518 HA GLN 67 HA GLN 67 1.193 -12.617 3.718 519 HB2 GLN 67 HB2 GLN 67 -0.420 -13.902 2.311 520 HB3 GLN 67 HB3 GLN 67 -1.112 -12.381 1.771 521 HG2 GLN 67 HG2 GLN 67 0.300 -12.920 0.035 522 HG3 GLN 67 HG3 GLN 67 1.293 -11.825 0.989 523 HE21 GLN 67 HE21 GLN 67 1.779 -13.978 3.027 524 HE22 GLN 67 HE22 GLN 67 2.942 -15.012 2.291 525 H THR 68 H THR 68 2.419 -10.902 3.071 526 HA THR 68 HA THR 68 1.125 -8.251 3.004 527 HB THR 68 HB THR 68 3.316 -7.278 3.420 528 HG1 THR 68 HG1 THR 68 4.440 -9.873 3.673 529 HG21 THR 68 HG21 THR 68 2.061 -7.970 5.384 530 HG22 THR 68 HG22 THR 68 3.787 -8.209 5.653 531 HG23 THR 68 HG23 THR 68 2.751 -9.589 5.285 532 H VAL 69 H VAL 69 1.236 -6.935 1.245 533 HA VAL 69 HA VAL 69 2.807 -7.874 -1.071 534 HB VAL 69 HB VAL 69 0.437 -7.794 -1.595 535 HG11 VAL 69 HG11 VAL 69 0.530 -4.871 -0.848 536 HG12 VAL 69 HG12 VAL 69 -0.293 -6.149 0.047 537 HG13 VAL 69 HG13 VAL 69 -0.844 -5.714 -1.570 538 HG21 VAL 69 HG21 VAL 69 0.502 -6.301 -3.555 539 HG22 VAL 69 HG22 VAL 69 1.986 -7.242 -3.385 540 HG23 VAL 69 HG23 VAL 69 1.962 -5.541 -2.915 541 H THR 70 H THR 70 4.500 -6.692 -1.675 542 HA THR 70 HA THR 70 5.023 -4.208 -0.208 543 HB THR 70 HB THR 70 6.926 -5.867 -1.887 544 HG1 THR 70 HG1 THR 70 7.396 -6.939 -0.075 545 HG21 THR 70 HG21 THR 70 7.473 -3.672 0.125 546 HG22 THR 70 HG22 THR 70 7.641 -3.524 -1.625 547 HG23 THR 70 HG23 THR 70 8.689 -4.623 -0.728 548 H ILE 71 H ILE 71 4.137 -2.505 -1.254 549 HA ILE 71 HA ILE 71 4.206 -2.299 -4.150 550 HB ILE 71 HB ILE 71 3.251 -0.256 -2.127 551 HG12 ILE 71 HG12 ILE 71 1.983 -2.337 -1.887 552 HG13 ILE 71 HG13 ILE 71 0.975 -1.101 -2.630 553 HG21 ILE 71 HG21 ILE 71 1.961 0.657 -4.034 554 HG22 ILE 71 HG22 ILE 71 2.769 -0.492 -5.102 555 HG23 ILE 71 HG23 ILE 71 3.706 0.756 -4.278 556 HD11 ILE 71 HD11 ILE 71 1.354 -2.120 -4.821 557 HD12 ILE 71 HD12 ILE 71 0.630 -3.251 -3.680 558 HD13 ILE 71 HD13 ILE 71 2.346 -3.367 -4.063 559 H TRP 72 H TRP 72 6.297 -1.995 -4.838 560 HA TRP 72 HA TRP 72 8.088 -0.107 -3.589 561 HB2 TRP 72 HB2 TRP 72 8.308 -1.677 -6.172 562 HB3 TRP 72 HB3 TRP 72 9.585 -0.653 -5.531 563 HD1 TRP 72 HD1 TRP 72 7.895 -4.032 -4.970 564 HE1 TRP 72 HE1 TRP 72 9.342 -5.417 -3.358 565 HE3 TRP 72 HE3 TRP 72 11.251 -0.428 -3.585 566 HZ2 TRP 72 HZ2 TRP 72 11.597 -5.037 -1.714 567 HZ3 TRP 72 HZ3 TRP 72 13.025 -1.025 -1.985 568 HH2 TRP 72 HH2 TRP 72 13.192 -3.282 -1.068 569 H ALA 73 H ALA 73 9.069 1.715 -4.717 570 HA ALA 73 HA ALA 73 7.180 3.288 -6.236 571 HB1 ALA 73 HB1 ALA 73 8.597 4.341 -4.541 572 HB2 ALA 73 HB2 ALA 73 8.885 5.045 -6.134 573 HB3 ALA 73 HB3 ALA 73 10.037 3.893 -5.456 574 H ALA 74 H ALA 74 7.921 4.424 -8.280 575 HA ALA 74 HA ALA 74 8.391 2.616 -10.335 576 HB1 ALA 74 HB1 ALA 74 8.907 5.587 -10.358 577 HB2 ALA 74 HB2 ALA 74 7.365 4.795 -10.680 578 HB3 ALA 74 HB3 ALA 74 8.724 4.561 -11.779 579 H ASN 75 H ASN 75 10.735 4.305 -8.367 580 HA ASN 75 HA ASN 75 12.952 3.667 -10.149 581 HB2 ASN 75 HB2 ASN 75 12.995 4.949 -7.403 582 HB3 ASN 75 HB3 ASN 75 14.341 4.873 -8.537 583 HD21 ASN 75 HD21 ASN 75 14.192 6.084 -10.485 584 HD22 ASN 75 HD22 ASN 75 13.161 7.465 -10.584 585 H ALA 76 H ALA 76 11.380 1.503 -8.794 586 HA ALA 76 HA ALA 76 12.688 0.334 -6.649 587 HB1 ALA 76 HB1 ALA 76 11.307 -1.097 -8.917 588 HB2 ALA 76 HB2 ALA 76 10.510 -0.387 -7.514 589 HB3 ALA 76 HB3 ALA 76 11.616 -1.744 -7.306 590 H GLY 77 H GLY 77 13.538 0.154 -10.089 591 HA2 GLY 77 HA2 GLY 77 15.506 -0.502 -11.099 592 HA3 GLY 77 HA3 GLY 77 16.231 -0.593 -9.505 593 H VAL 78 H VAL 78 13.410 -2.487 -10.001 594 HA VAL 78 HA VAL 78 15.020 -4.920 -10.483 595 HB VAL 78 HB VAL 78 13.580 -6.166 -8.929 596 HG11 VAL 78 HG11 VAL 78 14.413 -5.243 -6.817 597 HG12 VAL 78 HG12 VAL 78 14.818 -3.732 -7.636 598 HG13 VAL 78 HG13 VAL 78 15.659 -5.222 -8.065 599 HG21 VAL 78 HG21 VAL 78 12.005 -5.012 -7.445 600 HG22 VAL 78 HG22 VAL 78 11.549 -4.808 -9.138 601 HG23 VAL 78 HG23 VAL 78 12.337 -3.488 -8.271 602 H THR 79 H THR 79 13.193 -6.844 -10.814 603 HA THR 79 HA THR 79 11.748 -6.311 -13.175 604 HB THR 79 HB THR 79 11.172 -8.494 -11.141 605 HG1 THR 79 HG1 THR 79 12.778 -9.586 -12.035 606 HG21 THR 79 HG21 THR 79 9.324 -8.172 -12.720 607 HG22 THR 79 HG22 THR 79 10.162 -9.691 -13.037 608 HG23 THR 79 HG23 THR 79 10.448 -8.293 -14.072 609 H ALA 80 H ALA 80 10.219 -4.755 -13.246 610 HA ALA 80 HA ALA 80 8.761 -4.065 -10.816 611 HB1 ALA 80 HB1 ALA 80 8.236 -1.986 -11.954 612 HB2 ALA 80 HB2 ALA 80 8.920 -2.611 -13.455 613 HB3 ALA 80 HB3 ALA 80 9.963 -2.331 -12.061 614 H SER 81 H SER 81 7.780 -6.463 -11.925 615 HA SER 81 HA SER 81 5.013 -5.726 -12.338 616 HB2 SER 81 HB2 SER 81 6.486 -7.223 -14.528 617 HB3 SER 81 HB3 SER 81 4.741 -6.982 -14.467 618 HG SER 81 HG SER 81 6.787 -5.175 -15.057 619 HA PRO 82 HA PRO 82 4.086 -9.605 -10.119 620 HB2 PRO 82 HB2 PRO 82 1.864 -9.373 -12.144 621 HB3 PRO 82 HB3 PRO 82 1.768 -9.832 -10.441 622 HG2 PRO 82 HG2 PRO 82 1.104 -7.388 -11.153 623 HG3 PRO 82 HG3 PRO 82 2.091 -7.639 -9.698 624 HD2 PRO 82 HD2 PRO 82 2.892 -6.621 -12.385 625 HD3 PRO 82 HD3 PRO 82 3.521 -6.193 -10.781 626 HA PRO 83 HA PRO 83 2.707 -13.197 -11.095 627 HB2 PRO 83 HB2 PRO 83 5.186 -12.895 -9.433 628 HB3 PRO 83 HB3 PRO 83 4.166 -14.322 -9.672 629 HG2 PRO 83 HG2 PRO 83 6.430 -13.710 -11.173 630 HG3 PRO 83 HG3 PRO 83 5.145 -14.820 -11.676 631 HD2 PRO 83 HD2 PRO 83 5.840 -12.387 -12.931 632 HD3 PRO 83 HD3 PRO 83 4.368 -13.336 -13.228 633 H THR 84 H THR 84 4.492 -11.308 -8.585 634 HA THR 84 HA THR 84 1.838 -11.195 -7.290 635 HB THR 84 HB THR 84 3.132 -12.620 -5.985 636 HG1 THR 84 HG1 THR 84 3.769 -10.431 -4.410 637 HG21 THR 84 HG21 THR 84 5.338 -12.138 -6.934 638 HG22 THR 84 HG22 THR 84 5.391 -12.140 -5.172 639 HG23 THR 84 HG23 THR 84 5.392 -10.612 -6.051 640 H ASP 85 H ASP 85 4.830 -9.318 -6.594 641 HA ASP 85 HA ASP 85 3.227 -7.319 -5.371 642 HB2 ASP 85 HB2 ASP 85 6.169 -7.233 -6.073 643 HB3 ASP 85 HB3 ASP 85 5.341 -6.150 -4.955 644 H LEU 86 H LEU 86 2.347 -5.521 -6.137 645 HA LEU 86 HA LEU 86 2.783 -4.706 -8.896 646 HB2 LEU 86 HB2 LEU 86 0.841 -3.859 -6.750 647 HB3 LEU 86 HB3 LEU 86 0.985 -2.968 -8.253 648 HG LEU 86 HG LEU 86 0.266 -5.906 -8.092 649 HD11 LEU 86 HD11 LEU 86 -1.488 -4.569 -7.061 650 HD12 LEU 86 HD12 LEU 86 -2.022 -5.185 -8.624 651 HD13 LEU 86 HD13 LEU 86 -1.526 -3.499 -8.464 652 HD21 LEU 86 HD21 LEU 86 1.311 -5.241 -10.205 653 HD22 LEU 86 HD22 LEU 86 0.144 -3.929 -10.379 654 HD23 LEU 86 HD23 LEU 86 -0.399 -5.607 -10.430 655 H ILE 87 H ILE 87 4.654 -3.583 -9.163 656 HA ILE 87 HA ILE 87 5.615 -1.658 -7.267 657 HB ILE 87 HB ILE 87 6.453 -2.252 -10.114 658 HG12 ILE 87 HG12 ILE 87 8.549 -3.058 -8.950 659 HG13 ILE 87 HG13 ILE 87 7.715 -2.837 -7.416 660 HG21 ILE 87 HG21 ILE 87 8.408 -0.800 -9.717 661 HG22 ILE 87 HG22 ILE 87 7.694 -0.279 -8.190 662 HG23 ILE 87 HG23 ILE 87 6.890 0.097 -9.714 663 HD11 ILE 87 HD11 ILE 87 7.709 -5.160 -8.123 664 HD12 ILE 87 HD12 ILE 87 6.894 -4.718 -9.621 665 HD13 ILE 87 HD13 ILE 87 6.069 -4.514 -8.074 666 H TRP 88 H TRP 88 4.923 0.357 -7.013 667 HA TRP 88 HA TRP 88 2.891 1.535 -8.582 668 HB2 TRP 88 HB2 TRP 88 3.483 1.963 -6.115 669 HB3 TRP 88 HB3 TRP 88 4.722 3.053 -6.718 670 HD1 TRP 88 HD1 TRP 88 2.524 4.070 -9.134 671 HE1 TRP 88 HE1 TRP 88 0.842 5.870 -8.387 672 HE3 TRP 88 HE3 TRP 88 2.859 3.458 -4.063 673 HZ2 TRP 88 HZ2 TRP 88 -0.198 6.895 -5.981 674 HZ3 TRP 88 HZ3 TRP 88 1.485 4.894 -2.611 675 HH2 TRP 88 HH2 TRP 88 -0.010 6.577 -3.553 676 H LYS 89 H LYS 89 3.873 1.358 -10.718 677 HA LYS 89 HA LYS 89 6.167 2.978 -11.374 678 HB2 LYS 89 HB2 LYS 89 4.273 1.335 -13.067 679 HB3 LYS 89 HB3 LYS 89 5.650 2.213 -13.727 680 HG2 LYS 89 HG2 LYS 89 7.171 0.908 -12.332 681 HG3 LYS 89 HG3 LYS 89 5.804 0.045 -11.629 682 HD2 LYS 89 HD2 LYS 89 6.500 0.018 -14.571 683 HD3 LYS 89 HD3 LYS 89 7.025 -1.210 -13.419 684 HE2 LYS 89 HE2 LYS 89 4.600 -1.622 -12.894 685 HE3 LYS 89 HE3 LYS 89 4.196 -0.545 -14.233 686 HZ1 LYS 89 HZ1 LYS 89 4.152 -2.780 -15.025 687 HZ2 LYS 89 HZ2 LYS 89 5.693 -3.106 -14.397 688 HZ3 LYS 89 HZ3 LYS 89 5.512 -2.030 -15.689 689 H ASN 90 H ASN 90 3.557 4.222 -10.406 690 HA ASN 90 HA ASN 90 3.400 6.291 -12.510 691 HB2 ASN 90 HB2 ASN 90 1.266 5.434 -10.532 692 HB3 ASN 90 HB3 ASN 90 1.126 6.821 -11.610 693 HD21 ASN 90 HD21 ASN 90 0.855 6.465 -13.820 694 HD22 ASN 90 HD22 ASN 90 0.384 4.930 -14.448 695 H GLN 91 H GLN 91 4.992 5.770 -9.842 696 HA GLN 91 HA GLN 91 5.027 8.573 -9.051 697 HB2 GLN 91 HB2 GLN 91 3.360 7.589 -7.529 698 HB3 GLN 91 HB3 GLN 91 4.520 6.359 -7.043 699 HG2 GLN 91 HG2 GLN 91 5.993 8.213 -6.199 700 HG3 GLN 91 HG3 GLN 91 4.660 9.322 -6.507 701 HE21 GLN 91 HE21 GLN 91 4.249 6.049 -5.344 702 HE22 GLN 91 HE22 GLN 91 3.678 6.486 -3.779 703 H ASN 92 H ASN 92 7.069 9.233 -8.662 704 HA ASN 92 HA ASN 92 9.251 7.331 -8.712 705 HB2 ASN 92 HB2 ASN 92 9.226 10.345 -8.379 706 HB3 ASN 92 HB3 ASN 92 10.681 9.369 -8.565 707 HD21 ASN 92 HD21 ASN 92 9.556 11.514 -10.241 708 HD22 ASN 92 HD22 ASN 92 9.408 10.827 -11.817 709 H SER 93 H SER 93 11.139 7.902 -7.053 710 HA SER 93 HA SER 93 10.252 7.227 -4.440 711 HB2 SER 93 HB2 SER 93 12.483 6.599 -5.197 712 HB3 SER 93 HB3 SER 93 12.936 8.294 -5.362 713 HG SER 93 HG SER 93 13.164 6.773 -3.227 714 H TRP 94 H TRP 94 9.282 8.543 -3.014 715 HA TRP 94 HA TRP 94 8.993 11.302 -3.396 716 HB2 TRP 94 HB2 TRP 94 8.024 11.322 -1.076 717 HB3 TRP 94 HB3 TRP 94 7.306 10.144 -2.163 718 HD1 TRP 94 HD1 TRP 94 9.469 10.383 0.995 719 HE1 TRP 94 HE1 TRP 94 9.539 8.075 2.127 720 HE3 TRP 94 HE3 TRP 94 7.118 7.629 -2.621 721 HZ2 TRP 94 HZ2 TRP 94 8.701 5.438 1.569 722 HZ3 TRP 94 HZ3 TRP 94 6.790 5.218 -2.239 723 HH2 TRP 94 HH2 TRP 94 7.566 4.147 -0.186 724 H GLY 95 H GLY 95 11.113 9.575 -1.101 725 HA2 GLY 95 HA2 GLY 95 12.997 10.237 0.027 726 HA3 GLY 95 HA3 GLY 95 13.234 11.374 -1.285 727 H THR 96 H THR 96 10.318 11.864 0.444 728 HA THR 96 HA THR 96 11.120 14.506 1.156 729 HB THR 96 HB THR 96 8.877 14.767 2.103 730 HG1 THR 96 HG1 THR 96 7.516 12.723 1.770 731 HG21 THR 96 HG21 THR 96 7.561 14.242 0.098 732 HG22 THR 96 HG22 THR 96 8.855 13.195 -0.482 733 HG23 THR 96 HG23 THR 96 9.125 14.931 -0.331 734 H GLY 97 H GLY 97 10.891 11.511 2.962 735 HA2 GLY 97 HA2 GLY 97 11.537 10.983 5.109 736 HA3 GLY 97 HA3 GLY 97 12.328 12.549 5.187 737 H GLU 98 H GLU 98 9.015 12.710 4.398 738 HA GLU 98 HA GLU 98 8.409 13.750 7.070 739 HB2 GLU 98 HB2 GLU 98 7.017 14.055 4.407 740 HB3 GLU 98 HB3 GLU 98 6.317 14.623 5.917 741 HG2 GLU 98 HG2 GLU 98 8.936 15.533 4.728 742 HG3 GLU 98 HG3 GLU 98 7.417 16.429 4.707 743 H ASP 99 H ASP 99 5.914 13.491 7.568 744 HA ASP 99 HA ASP 99 5.485 10.826 8.313 745 HB2 ASP 99 HB2 ASP 99 3.266 11.584 9.027 746 HB3 ASP 99 HB3 ASP 99 4.509 12.739 9.494 747 H VAL 100 H VAL 100 4.049 12.734 5.699 748 HA VAL 100 HA VAL 100 2.573 12.149 4.030 749 HB VAL 100 HB VAL 100 4.744 12.144 3.014 750 HG11 VAL 100 HG11 VAL 100 5.909 10.542 4.404 751 HG12 VAL 100 HG12 VAL 100 6.075 10.107 2.703 752 HG13 VAL 100 HG13 VAL 100 4.950 9.223 3.733 753 HG21 VAL 100 HG21 VAL 100 3.083 9.844 1.979 754 HG22 VAL 100 HG22 VAL 100 4.333 10.699 1.074 755 HG23 VAL 100 HG23 VAL 100 2.873 11.550 1.582 756 H LYS 101 H LYS 101 0.768 11.221 4.807 757 HA LYS 101 HA LYS 101 0.738 8.481 5.777 758 HB2 LYS 101 HB2 LYS 101 -0.310 10.184 7.107 759 HB3 LYS 101 HB3 LYS 101 -1.287 10.719 5.750 760 HG2 LYS 101 HG2 LYS 101 -2.595 8.694 5.833 761 HG3 LYS 101 HG3 LYS 101 -1.543 8.026 7.087 762 HD2 LYS 101 HD2 LYS 101 -3.656 8.964 7.995 763 HD3 LYS 101 HD3 LYS 101 -2.218 9.754 8.643 764 HE2 LYS 101 HE2 LYS 101 -2.552 11.543 6.880 765 HE3 LYS 101 HE3 LYS 101 -4.111 10.796 6.534 766 HZ1 LYS 101 HZ1 LYS 101 -3.279 11.887 9.168 767 HZ2 LYS 101 HZ2 LYS 101 -4.785 11.212 8.803 768 HZ3 LYS 101 HZ3 LYS 101 -4.307 12.655 8.069 769 H VAL 102 H VAL 102 -0.355 6.763 4.888 770 HA VAL 102 HA VAL 102 -1.390 7.136 2.153 771 HB VAL 102 HB VAL 102 0.518 5.576 2.454 772 HG11 VAL 102 HG11 VAL 102 -0.026 4.714 4.667 773 HG12 VAL 102 HG12 VAL 102 0.165 3.396 3.512 774 HG13 VAL 102 HG13 VAL 102 -1.448 3.898 4.017 775 HG21 VAL 102 HG21 VAL 102 -0.402 3.741 1.120 776 HG22 VAL 102 HG22 VAL 102 -0.980 5.309 0.558 777 HG23 VAL 102 HG23 VAL 102 -2.039 4.271 1.516 778 H ILE 103 H ILE 103 -3.389 6.364 1.513 779 HA ILE 103 HA ILE 103 -5.221 5.415 3.640 780 HB ILE 103 HB ILE 103 -5.963 7.171 1.285 781 HG12 ILE 103 HG12 ILE 103 -4.564 8.427 2.868 782 HG13 ILE 103 HG13 ILE 103 -6.227 9.002 2.910 783 HG21 ILE 103 HG21 ILE 103 -7.796 5.764 2.023 784 HG22 ILE 103 HG22 ILE 103 -8.108 7.441 2.475 785 HG23 ILE 103 HG23 ILE 103 -7.563 6.286 3.692 786 HD11 ILE 103 HD11 ILE 103 -5.261 8.879 5.133 787 HD12 ILE 103 HD12 ILE 103 -4.953 7.156 4.917 788 HD13 ILE 103 HD13 ILE 103 -6.611 7.758 4.967 789 H LEU 104 H LEU 104 -6.493 3.647 3.172 790 HA LEU 104 HA LEU 104 -6.397 2.575 0.420 791 HB2 LEU 104 HB2 LEU 104 -6.918 1.210 3.061 792 HB3 LEU 104 HB3 LEU 104 -7.220 0.436 1.515 793 HG LEU 104 HG LEU 104 -4.534 1.371 2.547 794 HD11 LEU 104 HD11 LEU 104 -3.989 -1.017 2.547 795 HD12 LEU 104 HD12 LEU 104 -5.639 -1.394 2.051 796 HD13 LEU 104 HD13 LEU 104 -5.338 -0.660 3.625 797 HD21 LEU 104 HD21 LEU 104 -3.606 0.370 0.519 798 HD22 LEU 104 HD22 LEU 104 -4.708 1.687 0.123 799 HD23 LEU 104 HD23 LEU 104 -5.233 0.013 -0.063 800 H LYS 105 H LYS 105 -8.134 2.826 -0.801 801 HA LYS 105 HA LYS 105 -10.800 3.001 0.472 802 HB2 LYS 105 HB2 LYS 105 -9.880 4.145 -2.178 803 HB3 LYS 105 HB3 LYS 105 -11.518 4.238 -1.550 804 HG2 LYS 105 HG2 LYS 105 -10.713 5.595 0.334 805 HG3 LYS 105 HG3 LYS 105 -9.073 5.510 -0.320 806 HD2 LYS 105 HD2 LYS 105 -9.845 6.619 -2.377 807 HD3 LYS 105 HD3 LYS 105 -11.474 6.723 -1.705 808 HE2 LYS 105 HE2 LYS 105 -9.005 8.020 -0.541 809 HE3 LYS 105 HE3 LYS 105 -10.233 8.841 -1.500 810 HZ1 LYS 105 HZ1 LYS 105 -10.615 9.231 0.818 811 HZ2 LYS 105 HZ2 LYS 105 -10.632 7.575 1.153 812 HZ3 LYS 105 HZ3 LYS 105 -11.862 8.261 0.222 813 H ASN 106 H ASN 106 -12.518 1.813 -0.426 814 HA ASN 106 HA ASN 106 -11.784 -0.479 -2.071 815 HB2 ASN 106 HB2 ASN 106 -14.548 0.296 -1.094 816 HB3 ASN 106 HB3 ASN 106 -14.029 -1.283 -1.678 817 HD21 ASN 106 HD21 ASN 106 -12.685 -2.549 -0.360 818 HD22 ASN 106 HD22 ASN 106 -12.582 -2.263 1.338 819 H SER 107 H SER 107 -13.629 -1.061 -3.779 820 HA SER 107 HA SER 107 -13.709 0.708 -5.920 821 HB2 SER 107 HB2 SER 107 -15.661 -0.641 -6.716 822 HB3 SER 107 HB3 SER 107 -14.308 -1.637 -6.183 823 HG SER 107 HG SER 107 -16.725 -1.906 -5.385 824 H GLN 108 H GLN 108 -15.883 0.435 -3.158 825 HA GLN 108 HA GLN 108 -17.805 2.341 -4.073 826 HB2 GLN 108 HB2 GLN 108 -17.218 1.288 -1.293 827 HB3 GLN 108 HB3 GLN 108 -18.596 2.304 -1.700 828 HG2 GLN 108 HG2 GLN 108 -19.411 0.576 -3.242 829 HG3 GLN 108 HG3 GLN 108 -18.037 -0.442 -2.816 830 HE21 GLN 108 HE21 GLN 108 -19.400 -2.082 -2.060 831 HE22 GLN 108 HE22 GLN 108 -20.247 -1.946 -0.562 832 H GLY 109 H GLY 109 -14.656 2.716 -2.819 833 HA2 GLY 109 HA2 GLY 109 -13.469 4.723 -2.841 834 HA3 GLY 109 HA3 GLY 109 -14.982 5.599 -2.947 835 H GLU 110 H GLU 110 -15.282 3.485 -0.361 836 HA GLU 110 HA GLU 110 -14.714 5.673 1.496 837 HB2 GLU 110 HB2 GLU 110 -15.978 4.406 3.156 838 HB3 GLU 110 HB3 GLU 110 -16.904 4.633 1.681 839 HG2 GLU 110 HG2 GLU 110 -16.445 2.343 1.015 840 HG3 GLU 110 HG3 GLU 110 -15.451 2.109 2.455 841 H GLU 111 H GLU 111 -14.096 4.622 3.841 842 HA GLU 111 HA GLU 111 -11.306 3.909 3.338 843 HB2 GLU 111 HB2 GLU 111 -11.839 5.891 4.704 844 HB3 GLU 111 HB3 GLU 111 -12.666 4.867 5.869 845 HG2 GLU 111 HG2 GLU 111 -10.499 3.673 6.246 846 HG3 GLU 111 HG3 GLU 111 -9.723 4.881 5.220 847 H VAL 112 H VAL 112 -10.417 2.000 3.828 848 HA VAL 112 HA VAL 112 -11.802 0.177 5.692 849 HB VAL 112 HB VAL 112 -9.580 -0.403 3.712 850 HG11 VAL 112 HG11 VAL 112 -9.356 -1.810 5.702 851 HG12 VAL 112 HG12 VAL 112 -9.889 -2.765 4.319 852 HG13 VAL 112 HG13 VAL 112 -11.049 -2.293 5.562 853 HG21 VAL 112 HG21 VAL 112 -12.492 -1.201 3.728 854 HG22 VAL 112 HG22 VAL 112 -11.288 -1.745 2.560 855 HG23 VAL 112 HG23 VAL 112 -11.731 -0.039 2.639 856 H ALA 113 H ALA 113 -8.553 1.445 4.945 857 HA ALA 113 HA ALA 113 -7.903 1.676 7.743 858 HB1 ALA 113 HB1 ALA 113 -6.349 -0.303 6.068 859 HB2 ALA 113 HB2 ALA 113 -7.472 -0.713 7.367 860 HB3 ALA 113 HB3 ALA 113 -5.988 0.170 7.729 861 H GLN 114 H GLN 114 -5.753 2.626 8.099 862 HA GLN 114 HA GLN 114 -4.335 3.717 5.806 863 HB2 GLN 114 HB2 GLN 114 -4.491 6.055 6.650 864 HB3 GLN 114 HB3 GLN 114 -6.027 5.414 6.083 865 HG2 GLN 114 HG2 GLN 114 -6.834 5.135 8.301 866 HG3 GLN 114 HG3 GLN 114 -5.237 5.434 8.987 867 HE21 GLN 114 HE21 GLN 114 -4.491 7.525 9.149 868 HE22 GLN 114 HE22 GLN 114 -5.518 8.900 8.937 869 H ARG 115 H ARG 115 -2.409 5.091 6.589 870 HA ARG 115 HA ARG 115 -1.521 4.996 9.268 871 HB2 ARG 115 HB2 ARG 115 -1.317 2.564 8.769 872 HB3 ARG 115 HB3 ARG 115 -0.196 2.944 7.468 873 HG2 ARG 115 HG2 ARG 115 1.392 3.856 9.064 874 HG3 ARG 115 HG3 ARG 115 0.259 3.570 10.386 875 HD2 ARG 115 HD2 ARG 115 1.466 1.433 8.622 876 HD3 ARG 115 HD3 ARG 115 2.011 1.841 10.248 877 HE ARG 115 HE ARG 115 -0.725 0.860 9.741 878 HH11 ARG 115 HH11 ARG 115 2.277 0.627 11.408 879 HH12 ARG 115 HH12 ARG 115 1.717 -0.606 12.478 880 HH21 ARG 115 HH21 ARG 115 -1.437 -0.730 11.125 881 HH22 ARG 115 HH22 ARG 115 -0.363 -1.342 12.336 882 H SER 116 H SER 116 0.386 6.180 9.590 883 HA SER 116 HA SER 116 1.647 7.333 7.175 884 HB2 SER 116 HB2 SER 116 2.338 9.215 8.654 885 HB3 SER 116 HB3 SER 116 0.587 9.025 8.581 886 HG SER 116 HG SER 116 2.201 8.939 10.726 887 H THR 117 H THR 117 4.019 8.182 7.856 888 HA THR 117 HA THR 117 5.532 5.799 8.414 889 HB THR 117 HB THR 117 7.536 7.199 8.128 890 HG1 THR 117 HG1 THR 117 6.868 9.489 7.369 891 HG21 THR 117 HG21 THR 117 5.414 7.733 6.035 892 HG22 THR 117 HG22 THR 117 6.451 6.308 6.124 893 HG23 THR 117 HG23 THR 117 7.155 7.892 5.802 894 H VAL 118 H VAL 118 5.951 5.054 10.398 895 HA VAL 118 HA VAL 118 5.866 6.804 12.717 896 HB VAL 118 HB VAL 118 6.493 3.841 12.592 897 HG11 VAL 118 HG11 VAL 118 5.977 3.846 14.987 898 HG12 VAL 118 HG12 VAL 118 5.707 5.588 14.932 899 HG13 VAL 118 HG13 VAL 118 7.317 4.935 14.626 900 HG21 VAL 118 HG21 VAL 118 4.254 4.291 11.722 901 HG22 VAL 118 HG22 VAL 118 3.869 5.238 13.160 902 HG23 VAL 118 HG23 VAL 118 4.157 3.503 13.296 903 H PHE 119 H PHE 119 7.609 7.960 13.242 904 HA PHE 119 HA PHE 119 10.197 7.357 12.160 905 HB2 PHE 119 HB2 PHE 119 9.362 9.511 14.118 906 HB3 PHE 119 HB3 PHE 119 10.912 9.432 13.284 907 HD1 PHE 119 HD1 PHE 119 11.001 9.733 10.819 908 HD2 PHE 119 HD2 PHE 119 7.420 10.359 13.038 909 HE1 PHE 119 HE1 PHE 119 10.050 10.986 8.926 910 HE2 PHE 119 HE2 PHE 119 6.462 11.609 11.149 911 HZ PHE 119 HZ PHE 119 7.776 11.920 9.089 912 H LYS 120 H LYS 120 10.200 5.194 13.278 913 HA LYS 120 HA LYS 120 11.036 5.226 16.064 914 HB2 LYS 120 HB2 LYS 120 9.631 3.394 15.255 915 HB3 LYS 120 HB3 LYS 120 10.846 2.960 14.060 916 HG2 LYS 120 HG2 LYS 120 12.371 2.245 15.762 917 HG3 LYS 120 HG3 LYS 120 11.334 2.891 17.035 918 HD2 LYS 120 HD2 LYS 120 11.114 0.465 16.883 919 HD3 LYS 120 HD3 LYS 120 9.599 1.259 16.456 920 HE2 LYS 120 HE2 LYS 120 10.202 0.989 14.054 921 HE3 LYS 120 HE3 LYS 120 11.627 0.079 14.552 922 HZ1 LYS 120 HZ1 LYS 120 8.800 -0.668 15.089 923 HZ2 LYS 120 HZ2 LYS 120 10.153 -1.534 15.618 924 HZ3 LYS 120 HZ3 LYS 120 9.833 -1.403 13.966 925 H THR 121 H THR 121 12.479 4.709 12.880 926 HA THR 121 HA THR 121 14.609 4.696 12.109 927 HB THR 121 HB THR 121 15.111 6.342 14.602 928 HG1 THR 121 HG1 THR 121 14.794 7.181 11.889 929 HG21 THR 121 HG21 THR 121 17.114 7.174 13.410 930 HG22 THR 121 HG22 THR 121 16.840 5.979 12.140 931 HG23 THR 121 HG23 THR 121 17.230 5.453 13.778 932 H THR 122 H THR 122 15.372 2.657 12.076 933 HA THR 122 HA THR 122 17.018 1.783 14.347 934 HB THR 122 HB THR 122 15.092 0.536 14.829 935 HG1 THR 122 HG1 THR 122 16.698 -1.171 13.197 936 HG21 THR 122 HG21 THR 122 14.865 -0.163 11.895 937 HG22 THR 122 HG22 THR 122 13.813 0.934 12.791 938 HG23 THR 122 HG23 THR 122 13.826 -0.787 13.176 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -13.539 -27.087 -14.658 2 H2 MET 1 H2 MET 1 -11.969 -26.473 -14.577 3 H3 MET 1 H3 MET 1 -12.610 -26.951 -16.065 4 HA MET 1 HA MET 1 -12.577 -24.554 -15.858 5 HB2 MET 1 HB2 MET 1 -14.974 -24.137 -16.375 6 HB3 MET 1 HB3 MET 1 -14.292 -25.491 -17.260 7 HG2 MET 1 HG2 MET 1 -15.378 -27.056 -15.753 8 HG3 MET 1 HG3 MET 1 -16.016 -25.716 -14.799 9 HE1 MET 1 HE1 MET 1 -15.737 -25.909 -18.758 10 HE2 MET 1 HE2 MET 1 -17.294 -26.641 -19.142 11 HE3 MET 1 HE3 MET 1 -16.084 -27.560 -18.246 12 H GLY 2 H GLY 2 -14.676 -26.034 -13.360 13 HA2 GLY 2 HA2 GLY 2 -14.687 -25.380 -11.100 14 HA3 GLY 2 HA3 GLY 2 -13.908 -23.874 -11.543 15 H HIS 3 H HIS 3 -16.996 -25.597 -11.475 16 HA HIS 3 HA HIS 3 -18.515 -23.170 -11.996 17 HB2 HIS 3 HB2 HIS 3 -19.427 -25.948 -11.196 18 HB3 HIS 3 HB3 HIS 3 -20.508 -24.611 -11.577 19 HD1 HIS 3 HD1 HIS 3 -19.745 -27.511 -13.093 20 HD2 HIS 3 HD2 HIS 3 -19.238 -23.593 -14.371 21 HE1 HIS 3 HE1 HIS 3 -19.656 -27.628 -15.597 22 HE2 HIS 3 HE2 HIS 3 -19.160 -25.277 -16.333 23 H HIS 4 H HIS 4 -17.921 -21.808 -10.295 24 HA HIS 4 HA HIS 4 -18.462 -22.672 -7.545 25 HB2 HIS 4 HB2 HIS 4 -17.449 -20.405 -6.981 26 HB3 HIS 4 HB3 HIS 4 -16.372 -21.566 -7.748 27 HD1 HIS 4 HD1 HIS 4 -15.612 -21.054 -10.189 28 HD2 HIS 4 HD2 HIS 4 -17.990 -18.110 -8.470 29 HE1 HIS 4 HE1 HIS 4 -15.419 -19.065 -11.706 30 HE2 HIS 4 HE2 HIS 4 -16.737 -17.255 -10.563 31 H HIS 5 H HIS 5 -20.250 -22.123 -6.470 32 HA HIS 5 HA HIS 5 -21.961 -19.978 -7.541 33 HB2 HIS 5 HB2 HIS 5 -23.950 -21.470 -7.121 34 HB3 HIS 5 HB3 HIS 5 -22.909 -21.975 -8.445 35 HD1 HIS 5 HD1 HIS 5 -24.457 -23.192 -5.387 36 HD2 HIS 5 HD2 HIS 5 -21.162 -24.210 -7.702 37 HE1 HIS 5 HE1 HIS 5 -23.819 -25.512 -4.666 38 HE2 HIS 5 HE2 HIS 5 -21.711 -26.018 -5.943 39 H HIS 6 H HIS 6 -21.485 -18.569 -5.873 40 HA HIS 6 HA HIS 6 -22.834 -19.199 -3.334 41 HB2 HIS 6 HB2 HIS 6 -20.084 -17.936 -3.535 42 HB3 HIS 6 HB3 HIS 6 -21.032 -18.055 -2.056 43 HD1 HIS 6 HD1 HIS 6 -21.876 -20.896 -1.913 44 HD2 HIS 6 HD2 HIS 6 -18.147 -19.791 -3.381 45 HE1 HIS 6 HE1 HIS 6 -20.409 -22.912 -1.616 46 HE2 HIS 6 HE2 HIS 6 -18.136 -22.186 -2.407 47 H HIS 7 H HIS 7 -24.529 -17.828 -3.498 48 HA HIS 7 HA HIS 7 -24.065 -15.105 -4.500 49 HB2 HIS 7 HB2 HIS 7 -26.596 -16.721 -4.166 50 HB3 HIS 7 HB3 HIS 7 -26.588 -15.023 -4.636 51 HD1 HIS 7 HD1 HIS 7 -26.745 -14.719 -7.075 52 HD2 HIS 7 HD2 HIS 7 -24.799 -18.261 -6.108 53 HE1 HIS 7 HE1 HIS 7 -26.184 -15.800 -9.270 54 HE2 HIS 7 HE2 HIS 7 -25.163 -18.013 -8.653 55 H HIS 8 H HIS 8 -24.262 -16.608 -1.511 56 HA HIS 8 HA HIS 8 -25.633 -14.493 -0.109 57 HB2 HIS 8 HB2 HIS 8 -23.830 -16.700 0.913 58 HB3 HIS 8 HB3 HIS 8 -24.714 -15.581 1.945 59 HD1 HIS 8 HD1 HIS 8 -24.979 -18.881 0.872 60 HD2 HIS 8 HD2 HIS 8 -27.691 -15.737 0.993 61 HE1 HIS 8 HE1 HIS 8 -27.244 -19.951 0.829 62 HE2 HIS 8 HE2 HIS 8 -28.863 -18.032 0.741 63 H SER 9 H SER 9 -24.813 -12.502 -0.085 64 HA SER 9 HA SER 9 -21.945 -12.124 -0.493 65 HB2 SER 9 HB2 SER 9 -24.237 -10.144 -0.586 66 HB3 SER 9 HB3 SER 9 -22.549 -9.744 -0.909 67 HG SER 9 HG SER 9 -24.221 -11.513 -2.374 68 H HIS 10 H HIS 10 -20.976 -12.466 1.471 69 HA HIS 10 HA HIS 10 -21.269 -10.205 3.327 70 HB2 HIS 10 HB2 HIS 10 -21.059 -13.123 4.106 71 HB3 HIS 10 HB3 HIS 10 -20.667 -11.818 5.220 72 HD1 HIS 10 HD1 HIS 10 -22.578 -10.758 6.447 73 HD2 HIS 10 HD2 HIS 10 -23.857 -13.118 3.275 74 HE1 HIS 10 HE1 HIS 10 -25.075 -10.844 6.639 75 HE2 HIS 10 HE2 HIS 10 -25.830 -12.067 4.581 76 H MET 11 H MET 11 -19.516 -9.185 2.447 77 HA MET 11 HA MET 11 -17.019 -10.613 2.006 78 HB2 MET 11 HB2 MET 11 -17.676 -7.696 1.525 79 HB3 MET 11 HB3 MET 11 -16.263 -8.561 0.930 80 HG2 MET 11 HG2 MET 11 -19.129 -9.067 0.148 81 HG3 MET 11 HG3 MET 11 -17.894 -8.278 -0.831 82 HE1 MET 11 HE1 MET 11 -18.466 -9.940 -2.836 83 HE2 MET 11 HE2 MET 11 -19.686 -10.723 -1.834 84 HE3 MET 11 HE3 MET 11 -18.476 -11.695 -2.671 85 H THR 12 H THR 12 -14.984 -9.896 2.843 86 HA THR 12 HA THR 12 -15.040 -8.154 5.202 87 HB THR 12 HB THR 12 -15.269 -10.293 6.238 88 HG1 THR 12 HG1 THR 12 -12.485 -10.025 6.468 89 HG21 THR 12 HG21 THR 12 -13.757 -12.174 5.825 90 HG22 THR 12 HG22 THR 12 -12.921 -11.244 4.581 91 HG23 THR 12 HG23 THR 12 -14.606 -11.715 4.350 92 H GLY 13 H GLY 13 -13.594 -6.608 4.791 93 HA2 GLY 13 HA2 GLY 13 -11.271 -7.130 3.101 94 HA3 GLY 13 HA3 GLY 13 -11.798 -5.567 3.701 95 H ASN 14 H ASN 14 -9.698 -8.235 4.205 96 HA ASN 14 HA ASN 14 -8.928 -7.272 6.880 97 HB2 ASN 14 HB2 ASN 14 -8.333 -9.832 5.393 98 HB3 ASN 14 HB3 ASN 14 -7.542 -9.404 6.906 99 HD21 ASN 14 HD21 ASN 14 -8.691 -9.485 8.804 100 HD22 ASN 14 HD22 ASN 14 -10.260 -10.195 8.918 101 H VAL 15 H VAL 15 -8.129 -6.339 3.941 102 HA VAL 15 HA VAL 15 -5.246 -6.490 4.036 103 HB VAL 15 HB VAL 15 -7.005 -4.764 2.271 104 HG11 VAL 15 HG11 VAL 15 -4.098 -5.558 1.989 105 HG12 VAL 15 HG12 VAL 15 -4.714 -3.947 2.364 106 HG13 VAL 15 HG13 VAL 15 -5.037 -4.670 0.789 107 HG21 VAL 15 HG21 VAL 15 -5.827 -7.500 1.734 108 HG22 VAL 15 HG22 VAL 15 -6.698 -6.508 0.563 109 HG23 VAL 15 HG23 VAL 15 -7.533 -7.132 1.986 110 H CYS 16 H CYS 16 -3.935 -5.162 5.126 111 HA CYS 16 HA CYS 16 -4.685 -2.372 5.602 112 HB2 CYS 16 HB2 CYS 16 -4.029 -2.549 8.008 113 HB3 CYS 16 HB3 CYS 16 -5.487 -3.453 7.615 114 HG CYS 16 HG CYS 16 -4.619 -5.456 8.955 115 H ILE 17 H ILE 17 -2.708 -1.256 6.816 116 HA ILE 17 HA ILE 17 -0.391 -1.850 5.129 117 HB ILE 17 HB ILE 17 -0.885 0.474 7.014 118 HG12 ILE 17 HG12 ILE 17 -1.026 0.316 3.985 119 HG13 ILE 17 HG13 ILE 17 -2.406 0.435 5.070 120 HG21 ILE 17 HG21 ILE 17 1.045 1.528 5.889 121 HG22 ILE 17 HG22 ILE 17 1.330 0.029 5.003 122 HG23 ILE 17 HG23 ILE 17 1.496 0.061 6.758 123 HD11 ILE 17 HD11 ILE 17 -0.277 2.516 4.638 124 HD12 ILE 17 HD12 ILE 17 -1.584 2.638 5.816 125 HD13 ILE 17 HD13 ILE 17 -1.954 2.576 4.094 126 H GLU 18 H GLU 18 1.336 -2.971 5.842 127 HA GLU 18 HA GLU 18 1.603 -3.684 8.632 128 HB2 GLU 18 HB2 GLU 18 2.155 -5.353 6.948 129 HB3 GLU 18 HB3 GLU 18 3.364 -4.290 6.238 130 HG2 GLU 18 HG2 GLU 18 4.712 -4.428 8.256 131 HG3 GLU 18 HG3 GLU 18 3.481 -5.419 9.033 132 H GLU 19 H GLU 19 3.634 -1.901 6.290 133 HA GLU 19 HA GLU 19 4.473 -0.013 8.272 134 HB2 GLU 19 HB2 GLU 19 5.853 -1.983 8.884 135 HB3 GLU 19 HB3 GLU 19 6.542 -1.987 7.266 136 HG2 GLU 19 HG2 GLU 19 7.566 0.173 7.660 137 HG3 GLU 19 HG3 GLU 19 6.796 0.279 9.244 138 H ILE 20 H ILE 20 5.180 1.844 7.343 139 HA ILE 20 HA ILE 20 5.606 1.867 4.425 140 HB ILE 20 HB ILE 20 4.971 4.185 6.277 141 HG12 ILE 20 HG12 ILE 20 3.202 2.728 4.285 142 HG13 ILE 20 HG13 ILE 20 3.079 2.610 6.036 143 HG21 ILE 20 HG21 ILE 20 6.283 4.850 4.306 144 HG22 ILE 20 HG22 ILE 20 4.640 5.485 4.235 145 HG23 ILE 20 HG23 ILE 20 5.089 4.089 3.256 146 HD11 ILE 20 HD11 ILE 20 2.604 5.081 4.385 147 HD12 ILE 20 HD12 ILE 20 2.506 4.990 6.144 148 HD13 ILE 20 HD13 ILE 20 1.375 4.074 5.148 149 H ASP 21 H ASP 21 7.617 2.264 3.647 150 HA ASP 21 HA ASP 21 9.820 2.438 5.420 151 HB2 ASP 21 HB2 ASP 21 10.005 1.312 3.273 152 HB3 ASP 21 HB3 ASP 21 9.676 2.818 2.423 153 H VAL 22 H VAL 22 10.690 4.156 6.368 154 HA VAL 22 HA VAL 22 9.742 6.806 5.894 155 HB VAL 22 HB VAL 22 10.404 6.044 8.131 156 HG11 VAL 22 HG11 VAL 22 13.237 6.062 7.074 157 HG12 VAL 22 HG12 VAL 22 12.301 4.631 7.502 158 HG13 VAL 22 HG13 VAL 22 12.752 5.791 8.751 159 HG21 VAL 22 HG21 VAL 22 12.039 8.383 7.123 160 HG22 VAL 22 HG22 VAL 22 11.678 8.045 8.816 161 HG23 VAL 22 HG23 VAL 22 10.373 8.439 7.696 162 H ASP 23 H ASP 23 12.500 5.001 4.733 163 HA ASP 23 HA ASP 23 14.067 7.238 3.920 164 HB2 ASP 23 HB2 ASP 23 14.989 4.952 4.246 165 HB3 ASP 23 HB3 ASP 23 14.099 4.413 2.826 166 H GLY 24 H GLY 24 11.532 5.335 2.371 167 HA2 GLY 24 HA2 GLY 24 9.949 6.562 0.996 168 HA3 GLY 24 HA3 GLY 24 11.290 7.497 0.364 169 H LYS 25 H LYS 25 11.392 3.994 0.699 170 HA LYS 25 HA LYS 25 11.748 3.813 -2.205 171 HB2 LYS 25 HB2 LYS 25 12.350 1.734 -0.094 172 HB3 LYS 25 HB3 LYS 25 12.815 1.670 -1.790 173 HG2 LYS 25 HG2 LYS 25 14.200 3.701 -1.434 174 HG3 LYS 25 HG3 LYS 25 13.795 3.634 0.279 175 HD2 LYS 25 HD2 LYS 25 15.866 2.578 0.201 176 HD3 LYS 25 HD3 LYS 25 14.743 1.220 0.174 177 HE2 LYS 25 HE2 LYS 25 16.058 2.439 -2.261 178 HE3 LYS 25 HE3 LYS 25 16.609 0.982 -1.440 179 HZ1 LYS 25 HZ1 LYS 25 13.993 1.343 -2.797 180 HZ2 LYS 25 HZ2 LYS 25 14.478 -0.055 -1.966 181 HZ3 LYS 25 HZ3 LYS 25 15.296 0.431 -3.364 182 H PHE 26 H PHE 26 9.721 2.419 0.379 183 HA PHE 26 HA PHE 26 7.848 1.443 -1.615 184 HB2 PHE 26 HB2 PHE 26 7.912 -0.896 -0.835 185 HB3 PHE 26 HB3 PHE 26 9.441 -0.393 -1.544 186 HD1 PHE 26 HD1 PHE 26 11.427 -0.072 -0.137 187 HD2 PHE 26 HD2 PHE 26 7.745 -1.445 1.517 188 HE1 PHE 26 HE1 PHE 26 12.611 -0.805 1.889 189 HE2 PHE 26 HE2 PHE 26 8.931 -2.180 3.543 190 HZ PHE 26 HZ PHE 26 11.367 -1.861 3.730 191 H ILE 27 H ILE 27 5.844 0.687 -0.783 192 HA ILE 27 HA ILE 27 5.298 1.336 2.057 193 HB ILE 27 HB ILE 27 3.361 1.466 -0.278 194 HG12 ILE 27 HG12 ILE 27 4.596 3.734 1.317 195 HG13 ILE 27 HG13 ILE 27 5.089 3.262 -0.306 196 HG21 ILE 27 HG21 ILE 27 3.009 2.220 2.628 197 HG22 ILE 27 HG22 ILE 27 2.251 0.864 1.794 198 HG23 ILE 27 HG23 ILE 27 1.830 2.518 1.349 199 HD11 ILE 27 HD11 ILE 27 3.650 5.201 -0.362 200 HD12 ILE 27 HD12 ILE 27 2.385 4.313 0.485 201 HD13 ILE 27 HD13 ILE 27 2.865 3.827 -1.140 202 H ARG 28 H ARG 28 5.129 -0.578 3.159 203 HA ARG 28 HA ARG 28 4.358 -2.973 1.642 204 HB2 ARG 28 HB2 ARG 28 6.540 -2.912 2.812 205 HB3 ARG 28 HB3 ARG 28 5.694 -2.765 4.345 206 HG2 ARG 28 HG2 ARG 28 4.826 -4.956 4.197 207 HG3 ARG 28 HG3 ARG 28 5.261 -5.095 2.490 208 HD2 ARG 28 HD2 ARG 28 7.638 -5.037 3.080 209 HD3 ARG 28 HD3 ARG 28 7.219 -4.855 4.782 210 HE ARG 28 HE ARG 28 6.459 -7.093 4.817 211 HH11 ARG 28 HH11 ARG 28 7.771 -6.224 1.749 212 HH12 ARG 28 HH12 ARG 28 8.160 -7.854 1.329 213 HH21 ARG 28 HH21 ARG 28 6.938 -9.178 4.257 214 HH22 ARG 28 HH22 ARG 28 7.670 -9.520 2.729 215 H LEU 29 H LEU 29 2.361 -3.711 1.795 216 HA LEU 29 HA LEU 29 0.712 -3.108 4.144 217 HB2 LEU 29 HB2 LEU 29 0.017 -4.155 1.396 218 HB3 LEU 29 HB3 LEU 29 -1.149 -4.019 2.697 219 HG LEU 29 HG LEU 29 -0.707 -1.545 2.750 220 HD11 LEU 29 HD11 LEU 29 1.502 -1.526 1.718 221 HD12 LEU 29 HD12 LEU 29 0.376 -0.497 0.836 222 HD13 LEU 29 HD13 LEU 29 0.807 -2.082 0.195 223 HD21 LEU 29 HD21 LEU 29 -2.658 -2.469 1.613 224 HD22 LEU 29 HD22 LEU 29 -1.714 -2.676 0.134 225 HD23 LEU 29 HD23 LEU 29 -2.038 -1.058 0.757 226 H LYS 30 H LYS 30 -1.093 -5.110 4.223 227 HA LYS 30 HA LYS 30 0.161 -7.715 4.243 228 HB2 LYS 30 HB2 LYS 30 1.034 -6.855 6.345 229 HB3 LYS 30 HB3 LYS 30 -0.574 -6.349 6.846 230 HG2 LYS 30 HG2 LYS 30 -1.242 -8.790 6.747 231 HG3 LYS 30 HG3 LYS 30 0.473 -9.160 6.555 232 HD2 LYS 30 HD2 LYS 30 -0.713 -7.624 8.877 233 HD3 LYS 30 HD3 LYS 30 -0.336 -9.348 8.903 234 HE2 LYS 30 HE2 LYS 30 1.675 -7.152 8.397 235 HE3 LYS 30 HE3 LYS 30 1.405 -7.927 9.956 236 HZ1 LYS 30 HZ1 LYS 30 2.259 -9.348 7.493 237 HZ2 LYS 30 HZ2 LYS 30 2.097 -10.023 9.035 238 HZ3 LYS 30 HZ3 LYS 30 3.294 -8.865 8.736 239 H ASN 31 H ASN 31 -1.345 -9.315 4.022 240 HA ASN 31 HA ASN 31 -4.162 -8.680 4.607 241 HB2 ASN 31 HB2 ASN 31 -3.839 -9.572 2.379 242 HB3 ASN 31 HB3 ASN 31 -2.927 -10.940 3.010 243 HD21 ASN 31 HD21 ASN 31 -4.383 -12.367 2.005 244 HD22 ASN 31 HD22 ASN 31 -5.950 -12.663 2.671 245 H THR 32 H THR 32 -4.449 -9.009 6.765 246 HA THR 32 HA THR 32 -3.421 -11.500 7.956 247 HB THR 32 HB THR 32 -2.722 -9.588 9.212 248 HG1 THR 32 HG1 THR 32 -4.885 -10.584 10.747 249 HG21 THR 32 HG21 THR 32 -5.633 -8.803 9.436 250 HG22 THR 32 HG22 THR 32 -4.407 -7.968 8.480 251 HG23 THR 32 HG23 THR 32 -4.284 -8.001 10.238 252 H SER 33 H SER 33 -4.868 -13.064 7.536 253 HA SER 33 HA SER 33 -7.413 -13.060 8.843 254 HB2 SER 33 HB2 SER 33 -8.830 -13.256 6.840 255 HB3 SER 33 HB3 SER 33 -8.004 -11.700 6.865 256 HG SER 33 HG SER 33 -7.174 -12.209 5.016 257 H GLU 34 H GLU 34 -8.761 -15.031 7.892 258 HA GLU 34 HA GLU 34 -6.892 -17.289 7.533 259 HB2 GLU 34 HB2 GLU 34 -9.752 -17.377 8.531 260 HB3 GLU 34 HB3 GLU 34 -8.586 -18.698 8.536 261 HG2 GLU 34 HG2 GLU 34 -7.216 -17.516 10.162 262 HG3 GLU 34 HG3 GLU 34 -8.320 -16.142 10.118 263 H GLN 35 H GLN 35 -8.592 -15.321 5.681 264 HA GLN 35 HA GLN 35 -9.270 -17.401 3.717 265 HB2 GLN 35 HB2 GLN 35 -11.372 -16.703 4.767 266 HB3 GLN 35 HB3 GLN 35 -11.007 -15.017 4.414 267 HG2 GLN 35 HG2 GLN 35 -11.175 -15.440 2.036 268 HG3 GLN 35 HG3 GLN 35 -11.419 -17.160 2.333 269 HE21 GLN 35 HE21 GLN 35 -13.407 -17.156 1.288 270 HE22 GLN 35 HE22 GLN 35 -14.811 -16.450 1.995 271 H ASP 36 H ASP 36 -8.675 -16.937 1.650 272 HA ASP 36 HA ASP 36 -6.692 -14.939 1.291 273 HB2 ASP 36 HB2 ASP 36 -8.041 -16.591 -0.855 274 HB3 ASP 36 HB3 ASP 36 -6.441 -15.852 -0.925 275 H GLN 37 H GLN 37 -6.759 -12.955 0.360 276 HA GLN 37 HA GLN 37 -9.376 -11.808 -0.216 277 HB2 GLN 37 HB2 GLN 37 -6.637 -10.525 -0.057 278 HB3 GLN 37 HB3 GLN 37 -8.145 -9.653 -0.285 279 HG2 GLN 37 HG2 GLN 37 -7.564 -11.359 2.127 280 HG3 GLN 37 HG3 GLN 37 -7.207 -9.637 2.042 281 HE21 GLN 37 HE21 GLN 37 -9.710 -12.031 2.272 282 HE22 GLN 37 HE22 GLN 37 -10.987 -10.933 2.665 283 HA PRO 38 HA PRO 38 -8.455 -12.376 -4.631 284 HB2 PRO 38 HB2 PRO 38 -11.216 -11.581 -5.115 285 HB3 PRO 38 HB3 PRO 38 -10.460 -13.157 -5.347 286 HG2 PRO 38 HG2 PRO 38 -12.327 -12.668 -3.419 287 HG3 PRO 38 HG3 PRO 38 -11.063 -13.901 -3.260 288 HD2 PRO 38 HD2 PRO 38 -11.163 -11.131 -2.109 289 HD3 PRO 38 HD3 PRO 38 -10.634 -12.649 -1.348 290 H MET 39 H MET 39 -8.591 -9.666 -2.937 291 HA MET 39 HA MET 39 -8.269 -7.459 -3.304 292 HB2 MET 39 HB2 MET 39 -6.576 -8.207 -4.918 293 HB3 MET 39 HB3 MET 39 -7.801 -8.307 -6.174 294 HG2 MET 39 HG2 MET 39 -6.469 -6.293 -6.406 295 HG3 MET 39 HG3 MET 39 -8.149 -5.901 -6.046 296 HE1 MET 39 HE1 MET 39 -4.477 -6.076 -4.640 297 HE2 MET 39 HE2 MET 39 -5.347 -7.166 -3.559 298 HE3 MET 39 HE3 MET 39 -4.724 -5.633 -2.950 299 H GLY 40 H GLY 40 -9.831 -8.312 -6.410 300 HA2 GLY 40 HA2 GLY 40 -11.914 -7.752 -7.233 301 HA3 GLY 40 HA3 GLY 40 -12.354 -7.176 -5.633 302 H GLY 41 H GLY 41 -11.419 -5.025 -5.001 303 HA2 GLY 41 HA2 GLY 41 -10.540 -3.231 -7.057 304 HA3 GLY 41 HA3 GLY 41 -12.248 -3.021 -6.710 305 H TRP 42 H TRP 42 -9.002 -2.613 -5.525 306 HA TRP 42 HA TRP 42 -10.022 -0.905 -3.334 307 HB2 TRP 42 HB2 TRP 42 -7.446 -2.482 -3.548 308 HB3 TRP 42 HB3 TRP 42 -7.697 -1.227 -2.339 309 HD1 TRP 42 HD1 TRP 42 -9.514 -4.495 -3.435 310 HE1 TRP 42 HE1 TRP 42 -10.363 -5.666 -1.310 311 HE3 TRP 42 HE3 TRP 42 -8.012 -1.060 0.034 312 HZ2 TRP 42 HZ2 TRP 42 -10.386 -5.202 1.479 313 HZ3 TRP 42 HZ3 TRP 42 -8.482 -1.493 2.410 314 HH2 TRP 42 HH2 TRP 42 -9.645 -3.522 3.118 315 H GLU 43 H GLU 43 -8.500 0.949 -2.802 316 HA GLU 43 HA GLU 43 -6.906 1.894 -5.062 317 HB2 GLU 43 HB2 GLU 43 -9.186 2.809 -5.420 318 HB3 GLU 43 HB3 GLU 43 -9.105 3.587 -3.843 319 HG2 GLU 43 HG2 GLU 43 -7.246 4.966 -4.588 320 HG3 GLU 43 HG3 GLU 43 -7.237 4.146 -6.147 321 H MET 44 H MET 44 -5.112 2.909 -4.452 322 HA MET 44 HA MET 44 -4.695 3.473 -1.596 323 HB2 MET 44 HB2 MET 44 -3.174 1.848 -2.611 324 HB3 MET 44 HB3 MET 44 -2.714 3.019 -3.840 325 HG2 MET 44 HG2 MET 44 -1.755 4.451 -2.088 326 HG3 MET 44 HG3 MET 44 -2.185 3.240 -0.880 327 HE1 MET 44 HE1 MET 44 -0.848 2.596 -4.548 328 HE2 MET 44 HE2 MET 44 0.889 2.522 -4.257 329 HE3 MET 44 HE3 MET 44 0.022 4.042 -4.031 330 H ILE 45 H ILE 45 -5.115 5.570 -1.139 331 HA ILE 45 HA ILE 45 -4.378 7.671 -3.048 332 HB ILE 45 HB ILE 45 -5.900 7.900 -0.430 333 HG12 ILE 45 HG12 ILE 45 -7.841 8.433 -2.005 334 HG13 ILE 45 HG13 ILE 45 -6.837 7.818 -3.313 335 HG21 ILE 45 HG21 ILE 45 -5.404 9.968 -2.583 336 HG22 ILE 45 HG22 ILE 45 -4.711 9.963 -0.961 337 HG23 ILE 45 HG23 ILE 45 -6.447 10.185 -1.176 338 HD11 ILE 45 HD11 ILE 45 -8.431 6.156 -2.533 339 HD12 ILE 45 HD12 ILE 45 -7.753 6.251 -0.907 340 HD13 ILE 45 HD13 ILE 45 -6.774 5.632 -2.239 341 H ARG 46 H ARG 46 -2.181 8.014 -2.883 342 HA ARG 46 HA ARG 46 -0.901 8.217 -0.276 343 HB2 ARG 46 HB2 ARG 46 0.322 7.153 -2.117 344 HB3 ARG 46 HB3 ARG 46 0.223 8.635 -3.057 345 HG2 ARG 46 HG2 ARG 46 1.544 9.782 -1.272 346 HG3 ARG 46 HG3 ARG 46 1.748 8.216 -0.487 347 HD2 ARG 46 HD2 ARG 46 2.901 7.365 -2.469 348 HD3 ARG 46 HD3 ARG 46 2.664 8.913 -3.284 349 HE ARG 46 HE ARG 46 4.258 8.644 -0.819 350 HH11 ARG 46 HH11 ARG 46 3.885 9.830 -4.038 351 HH12 ARG 46 HH12 ARG 46 5.343 10.749 -3.972 352 HH21 ARG 46 HH21 ARG 46 6.121 9.855 -0.768 353 HH22 ARG 46 HH22 ARG 46 6.569 10.787 -2.155 354 H LYS 47 H LYS 47 -1.487 10.039 0.799 355 HA LYS 47 HA LYS 47 -1.399 12.633 -0.573 356 HB2 LYS 47 HB2 LYS 47 -2.317 11.874 2.212 357 HB3 LYS 47 HB3 LYS 47 -2.329 13.514 1.577 358 HG2 LYS 47 HG2 LYS 47 -3.894 12.791 -0.191 359 HG3 LYS 47 HG3 LYS 47 -3.920 11.175 0.519 360 HD2 LYS 47 HD2 LYS 47 -5.859 12.548 1.206 361 HD3 LYS 47 HD3 LYS 47 -4.864 12.053 2.577 362 HE2 LYS 47 HE2 LYS 47 -3.802 14.250 2.624 363 HE3 LYS 47 HE3 LYS 47 -4.731 14.743 1.208 364 HZ1 LYS 47 HZ1 LYS 47 -6.737 14.607 2.447 365 HZ2 LYS 47 HZ2 LYS 47 -5.648 15.540 3.347 366 HZ3 LYS 47 HZ3 LYS 47 -5.951 13.935 3.785 367 H ILE 48 H ILE 48 0.459 13.764 -0.556 368 HA ILE 48 HA ILE 48 2.050 13.894 1.880 369 HB ILE 48 HB ILE 48 3.058 11.981 0.814 370 HG12 ILE 48 HG12 ILE 48 4.790 14.445 0.440 371 HG13 ILE 48 HG13 ILE 48 4.562 13.568 1.950 372 HG21 ILE 48 HG21 ILE 48 3.450 13.707 -1.633 373 HG22 ILE 48 HG22 ILE 48 2.305 12.375 -1.479 374 HG23 ILE 48 HG23 ILE 48 4.039 12.057 -1.424 375 HD11 ILE 48 HD11 ILE 48 5.859 12.491 -0.545 376 HD12 ILE 48 HD12 ILE 48 5.621 11.602 0.958 377 HD13 ILE 48 HD13 ILE 48 6.683 13.009 0.925 378 H GLY 49 H GLY 49 2.515 15.957 2.229 379 HA2 GLY 49 HA2 GLY 49 3.159 18.131 1.906 380 HA3 GLY 49 HA3 GLY 49 3.964 17.571 0.456 381 H ASP 50 H ASP 50 3.215 18.265 -1.453 382 HA ASP 50 HA ASP 50 0.719 19.843 -1.447 383 HB2 ASP 50 HB2 ASP 50 3.242 20.172 -3.088 384 HB3 ASP 50 HB3 ASP 50 1.789 21.153 -3.279 385 H THR 51 H THR 51 1.036 16.919 -2.074 386 HA THR 51 HA THR 51 -0.589 16.980 -4.485 387 HB THR 51 HB THR 51 1.638 16.750 -5.457 388 HG1 THR 51 HG1 THR 51 0.731 15.422 -6.820 389 HG21 THR 51 HG21 THR 51 2.802 15.755 -3.540 390 HG22 THR 51 HG22 THR 51 3.036 14.788 -4.997 391 HG23 THR 51 HG23 THR 51 1.895 14.257 -3.761 392 H SER 52 H SER 52 -1.601 14.897 -4.969 393 HA SER 52 HA SER 52 -1.439 12.776 -2.997 394 HB2 SER 52 HB2 SER 52 -3.792 12.782 -2.379 395 HB3 SER 52 HB3 SER 52 -3.094 14.350 -1.984 396 HG SER 52 HG SER 52 -3.945 14.988 -4.148 397 H VAL 53 H VAL 53 -1.316 11.010 -4.210 398 HA VAL 53 HA VAL 53 -2.758 10.954 -6.792 399 HB VAL 53 HB VAL 53 -0.397 10.983 -7.200 400 HG11 VAL 53 HG11 VAL 53 1.151 9.334 -6.266 401 HG12 VAL 53 HG12 VAL 53 -0.161 8.637 -5.314 402 HG13 VAL 53 HG13 VAL 53 0.381 10.286 -4.997 403 HG21 VAL 53 HG21 VAL 53 -1.679 9.494 -8.652 404 HG22 VAL 53 HG22 VAL 53 -1.435 8.159 -7.525 405 HG23 VAL 53 HG23 VAL 53 -0.059 8.849 -8.386 406 H SER 54 H SER 54 -4.075 9.267 -7.276 407 HA SER 54 HA SER 54 -4.487 7.221 -5.182 408 HB2 SER 54 HB2 SER 54 -6.431 8.364 -7.210 409 HB3 SER 54 HB3 SER 54 -6.807 7.033 -6.117 410 HG SER 54 HG SER 54 -7.303 8.501 -4.722 411 H TYR 55 H TYR 55 -3.980 5.175 -5.670 412 HA TYR 55 HA TYR 55 -3.906 4.352 -8.510 413 HB2 TYR 55 HB2 TYR 55 -1.696 4.233 -7.564 414 HB3 TYR 55 HB3 TYR 55 -2.285 3.367 -6.149 415 HD1 TYR 55 HD1 TYR 55 -2.081 3.028 -9.872 416 HD2 TYR 55 HD2 TYR 55 -2.110 1.039 -6.105 417 HE1 TYR 55 HE1 TYR 55 -1.623 0.891 -10.999 418 HE2 TYR 55 HE2 TYR 55 -1.654 -1.098 -7.224 419 HH TYR 55 HH TYR 55 -0.638 -1.308 -10.441 420 H LYS 56 H LYS 56 -5.753 3.298 -8.972 421 HA LYS 56 HA LYS 56 -7.131 1.638 -7.067 422 HB2 LYS 56 HB2 LYS 56 -8.369 2.882 -8.783 423 HB3 LYS 56 HB3 LYS 56 -7.549 1.981 -10.050 424 HG2 LYS 56 HG2 LYS 56 -8.663 -0.044 -9.440 425 HG3 LYS 56 HG3 LYS 56 -9.316 0.694 -7.974 426 HD2 LYS 56 HD2 LYS 56 -10.691 2.197 -9.291 427 HD3 LYS 56 HD3 LYS 56 -9.968 1.602 -10.786 428 HE2 LYS 56 HE2 LYS 56 -11.553 -0.113 -8.869 429 HE3 LYS 56 HE3 LYS 56 -12.240 0.676 -10.287 430 HZ1 LYS 56 HZ1 LYS 56 -11.668 -1.609 -10.766 431 HZ2 LYS 56 HZ2 LYS 56 -10.061 -1.340 -10.318 432 HZ3 LYS 56 HZ3 LYS 56 -10.698 -0.567 -11.675 433 H TYR 57 H TYR 57 -6.364 -0.289 -6.490 434 HA TYR 57 HA TYR 57 -4.242 -1.621 -7.710 435 HB2 TYR 57 HB2 TYR 57 -6.328 -2.651 -5.780 436 HB3 TYR 57 HB3 TYR 57 -4.918 -3.584 -6.265 437 HD1 TYR 57 HD1 TYR 57 -6.077 -0.666 -4.344 438 HD2 TYR 57 HD2 TYR 57 -2.714 -3.042 -5.432 439 HE1 TYR 57 HE1 TYR 57 -4.768 0.371 -2.543 440 HE2 TYR 57 HE2 TYR 57 -1.397 -2.007 -3.634 441 HH TYR 57 HH TYR 57 -1.410 0.099 -2.301 442 H THR 58 H THR 58 -4.023 -3.143 -9.239 443 HA THR 58 HA THR 58 -6.425 -4.105 -10.619 444 HB THR 58 HB THR 58 -4.745 -3.123 -12.064 445 HG1 THR 58 HG1 THR 58 -5.495 -4.608 -13.358 446 HG21 THR 58 HG21 THR 58 -2.743 -3.556 -10.690 447 HG22 THR 58 HG22 THR 58 -2.522 -4.094 -12.354 448 HG23 THR 58 HG23 THR 58 -2.852 -5.271 -11.082 449 H SER 59 H SER 59 -7.189 -6.092 -10.293 450 HA SER 59 HA SER 59 -5.914 -7.899 -8.471 451 HB2 SER 59 HB2 SER 59 -8.345 -7.697 -8.509 452 HB3 SER 59 HB3 SER 59 -8.395 -8.254 -10.179 453 HG SER 59 HG SER 59 -7.532 -10.261 -9.431 454 H ARG 60 H ARG 60 -3.904 -8.040 -9.931 455 HA ARG 60 HA ARG 60 -4.171 -9.862 -12.186 456 HB2 ARG 60 HB2 ARG 60 -2.041 -9.250 -12.817 457 HB3 ARG 60 HB3 ARG 60 -2.537 -7.813 -11.938 458 HG2 ARG 60 HG2 ARG 60 -1.320 -8.659 -9.951 459 HG3 ARG 60 HG3 ARG 60 -0.770 -10.034 -10.911 460 HD2 ARG 60 HD2 ARG 60 -0.073 -7.120 -11.233 461 HD3 ARG 60 HD3 ARG 60 1.009 -8.487 -10.967 462 HE ARG 60 HE ARG 60 -0.491 -8.131 -13.484 463 HH11 ARG 60 HH11 ARG 60 2.449 -8.876 -11.819 464 HH12 ARG 60 HH12 ARG 60 3.351 -9.035 -13.284 465 HH21 ARG 60 HH21 ARG 60 0.686 -8.350 -15.339 466 HH22 ARG 60 HH22 ARG 60 2.371 -8.747 -15.247 467 H TYR 61 H TYR 61 -3.658 -10.145 -8.844 468 HA TYR 61 HA TYR 61 -3.427 -13.016 -9.115 469 HB2 TYR 61 HB2 TYR 61 -1.456 -13.327 -7.792 470 HB3 TYR 61 HB3 TYR 61 -1.036 -12.173 -9.048 471 HD1 TYR 61 HD1 TYR 61 -1.001 -9.684 -8.423 472 HD2 TYR 61 HD2 TYR 61 -1.139 -12.793 -5.513 473 HE1 TYR 61 HE1 TYR 61 -0.208 -8.110 -6.709 474 HE2 TYR 61 HE2 TYR 61 -0.347 -11.224 -3.792 475 HH TYR 61 HH TYR 61 0.914 -9.104 -3.671 476 H VAL 62 H VAL 62 -3.596 -14.079 -6.884 477 HA VAL 62 HA VAL 62 -5.620 -12.630 -5.348 478 HB VAL 62 HB VAL 62 -4.699 -15.501 -5.072 479 HG11 VAL 62 HG11 VAL 62 -6.776 -15.807 -3.775 480 HG12 VAL 62 HG12 VAL 62 -7.092 -14.074 -3.888 481 HG13 VAL 62 HG13 VAL 62 -5.682 -14.658 -3.006 482 HG21 VAL 62 HG21 VAL 62 -7.137 -14.375 -6.460 483 HG22 VAL 62 HG22 VAL 62 -6.768 -16.086 -6.247 484 HG23 VAL 62 HG23 VAL 62 -5.728 -15.079 -7.253 485 H LEU 63 H LEU 63 -5.113 -11.543 -3.544 486 HA LEU 63 HA LEU 63 -2.547 -11.835 -2.273 487 HB2 LEU 63 HB2 LEU 63 -3.695 -9.647 -2.445 488 HB3 LEU 63 HB3 LEU 63 -4.964 -10.241 -1.391 489 HG LEU 63 HG LEU 63 -3.356 -10.452 0.457 490 HD11 LEU 63 HD11 LEU 63 -1.345 -10.926 -0.845 491 HD12 LEU 63 HD12 LEU 63 -1.086 -9.564 0.244 492 HD13 LEU 63 HD13 LEU 63 -1.352 -9.279 -1.476 493 HD21 LEU 63 HD21 LEU 63 -3.350 -7.735 -0.869 494 HD22 LEU 63 HD22 LEU 63 -2.954 -8.051 0.823 495 HD23 LEU 63 HD23 LEU 63 -4.583 -8.365 0.226 496 H LYS 64 H LYS 64 -2.481 -13.947 -1.543 497 HA LYS 64 HA LYS 64 -4.573 -15.221 -0.138 498 HB2 LYS 64 HB2 LYS 64 -1.646 -15.929 -0.368 499 HB3 LYS 64 HB3 LYS 64 -2.879 -16.987 0.311 500 HG2 LYS 64 HG2 LYS 64 -4.091 -16.873 -1.866 501 HG3 LYS 64 HG3 LYS 64 -2.728 -15.968 -2.523 502 HD2 LYS 64 HD2 LYS 64 -1.244 -17.863 -2.091 503 HD3 LYS 64 HD3 LYS 64 -2.581 -18.762 -1.373 504 HE2 LYS 64 HE2 LYS 64 -3.775 -18.641 -3.545 505 HE3 LYS 64 HE3 LYS 64 -2.362 -17.848 -4.241 506 HZ1 LYS 64 HZ1 LYS 64 -2.491 -20.598 -3.137 507 HZ2 LYS 64 HZ2 LYS 64 -1.063 -19.841 -3.640 508 HZ3 LYS 64 HZ3 LYS 64 -2.291 -20.157 -4.758 509 H ALA 65 H ALA 65 -4.456 -16.142 2.025 510 HA ALA 65 HA ALA 65 -4.345 -14.077 3.928 511 HB1 ALA 65 HB1 ALA 65 -4.508 -17.052 4.413 512 HB2 ALA 65 HB2 ALA 65 -5.871 -15.988 4.067 513 HB3 ALA 65 HB3 ALA 65 -4.948 -15.780 5.556 514 H GLY 66 H GLY 66 -2.630 -13.192 4.885 515 HA2 GLY 66 HA2 GLY 66 -0.920 -13.440 6.563 516 HA3 GLY 66 HA3 GLY 66 -0.465 -14.964 5.827 517 H GLN 67 H GLN 67 -0.714 -13.439 3.110 518 HA GLN 67 HA GLN 67 2.102 -12.818 3.005 519 HB2 GLN 67 HB2 GLN 67 1.022 -14.009 1.157 520 HB3 GLN 67 HB3 GLN 67 -0.015 -12.625 0.848 521 HG2 GLN 67 HG2 GLN 67 1.852 -12.799 -0.748 522 HG3 GLN 67 HG3 GLN 67 1.883 -11.294 0.168 523 HE21 GLN 67 HE21 GLN 67 3.437 -14.390 -0.295 524 HE22 GLN 67 HE22 GLN 67 4.897 -13.993 0.533 525 H THR 68 H THR 68 3.092 -10.883 2.674 526 HA THR 68 HA THR 68 1.478 -8.468 3.175 527 HB THR 68 HB THR 68 3.679 -7.439 3.832 528 HG1 THR 68 HG1 THR 68 5.072 -8.864 2.710 529 HG21 THR 68 HG21 THR 68 3.852 -8.602 5.981 530 HG22 THR 68 HG22 THR 68 2.912 -9.949 5.336 531 HG23 THR 68 HG23 THR 68 2.165 -8.361 5.526 532 H VAL 69 H VAL 69 0.874 -7.775 1.146 533 HA VAL 69 HA VAL 69 2.596 -7.747 -1.117 534 HB VAL 69 HB VAL 69 0.230 -7.818 -1.497 535 HG11 VAL 69 HG11 VAL 69 0.032 -5.133 -0.118 536 HG12 VAL 69 HG12 VAL 69 -0.527 -6.675 0.531 537 HG13 VAL 69 HG13 VAL 69 -1.293 -5.993 -0.905 538 HG21 VAL 69 HG21 VAL 69 -0.060 -5.991 -3.098 539 HG22 VAL 69 HG22 VAL 69 1.569 -6.661 -3.191 540 HG23 VAL 69 HG23 VAL 69 1.293 -5.124 -2.370 541 H THR 70 H THR 70 4.281 -6.464 -1.437 542 HA THR 70 HA THR 70 4.446 -3.881 -0.056 543 HB THR 70 HB THR 70 6.600 -5.329 -1.625 544 HG1 THR 70 HG1 THR 70 6.092 -6.532 0.205 545 HG21 THR 70 HG21 THR 70 6.751 -2.984 0.282 546 HG22 THR 70 HG22 THR 70 7.018 -2.931 -1.462 547 HG23 THR 70 HG23 THR 70 8.136 -3.816 -0.423 548 H ILE 71 H ILE 71 3.948 -2.061 -1.089 549 HA ILE 71 HA ILE 71 3.790 -1.922 -3.978 550 HB ILE 71 HB ILE 71 3.345 0.212 -1.873 551 HG12 ILE 71 HG12 ILE 71 1.695 -1.603 -1.774 552 HG13 ILE 71 HG13 ILE 71 0.949 -0.126 -2.371 553 HG21 ILE 71 HG21 ILE 71 4.019 1.197 -4.005 554 HG22 ILE 71 HG22 ILE 71 2.329 1.544 -3.647 555 HG23 ILE 71 HG23 ILE 71 2.743 0.302 -4.831 556 HD11 ILE 71 HD11 ILE 71 1.085 -0.993 -4.657 557 HD12 ILE 71 HD12 ILE 71 0.173 -2.068 -3.596 558 HD13 ILE 71 HD13 ILE 71 1.830 -2.470 -4.044 559 H TRP 72 H TRP 72 5.750 -1.906 -4.960 560 HA TRP 72 HA TRP 72 7.977 -0.365 -3.901 561 HB2 TRP 72 HB2 TRP 72 7.742 -1.941 -6.483 562 HB3 TRP 72 HB3 TRP 72 9.229 -1.274 -5.818 563 HD1 TRP 72 HD1 TRP 72 6.943 -4.265 -5.581 564 HE1 TRP 72 HE1 TRP 72 7.924 -5.973 -3.922 565 HE3 TRP 72 HE3 TRP 72 10.659 -1.393 -3.546 566 HZ2 TRP 72 HZ2 TRP 72 9.991 -6.089 -2.011 567 HZ3 TRP 72 HZ3 TRP 72 12.094 -2.381 -1.808 568 HH2 TRP 72 HH2 TRP 72 11.765 -4.686 -1.055 569 H ALA 73 H ALA 73 8.269 1.749 -4.347 570 HA ALA 73 HA ALA 73 6.512 3.121 -6.132 571 HB1 ALA 73 HB1 ALA 73 7.304 4.112 -4.027 572 HB2 ALA 73 HB2 ALA 73 7.632 5.148 -5.418 573 HB3 ALA 73 HB3 ALA 73 8.934 4.203 -4.692 574 H ALA 74 H ALA 74 7.091 1.977 -8.121 575 HA ALA 74 HA ALA 74 7.985 1.854 -10.198 576 HB1 ALA 74 HB1 ALA 74 9.004 4.631 -9.627 577 HB2 ALA 74 HB2 ALA 74 7.380 4.235 -10.187 578 HB3 ALA 74 HB3 ALA 74 8.774 3.896 -11.213 579 H ASN 75 H ASN 75 10.575 3.775 -8.653 580 HA ASN 75 HA ASN 75 12.582 2.034 -9.844 581 HB2 ASN 75 HB2 ASN 75 12.930 4.545 -8.181 582 HB3 ASN 75 HB3 ASN 75 14.201 3.709 -9.073 583 HD21 ASN 75 HD21 ASN 75 13.225 6.453 -9.344 584 HD22 ASN 75 HD22 ASN 75 12.744 6.612 -10.994 585 H ALA 76 H ALA 76 12.771 0.143 -8.736 586 HA ALA 76 HA ALA 76 13.847 0.250 -6.040 587 HB1 ALA 76 HB1 ALA 76 11.300 -1.279 -6.562 588 HB2 ALA 76 HB2 ALA 76 11.412 0.244 -5.679 589 HB3 ALA 76 HB3 ALA 76 12.190 -1.205 -5.041 590 H GLY 77 H GLY 77 14.166 -0.938 -8.998 591 HA2 GLY 77 HA2 GLY 77 15.619 -2.564 -9.774 592 HA3 GLY 77 HA3 GLY 77 15.838 -3.112 -8.125 593 H VAL 78 H VAL 78 13.026 -3.640 -7.640 594 HA VAL 78 HA VAL 78 12.878 -6.326 -8.322 595 HB VAL 78 HB VAL 78 10.548 -4.509 -7.654 596 HG11 VAL 78 HG11 VAL 78 10.856 -7.506 -7.373 597 HG12 VAL 78 HG12 VAL 78 9.792 -6.660 -8.496 598 HG13 VAL 78 HG13 VAL 78 9.498 -6.557 -6.761 599 HG21 VAL 78 HG21 VAL 78 10.941 -5.135 -5.323 600 HG22 VAL 78 HG22 VAL 78 12.353 -4.325 -6.005 601 HG23 VAL 78 HG23 VAL 78 12.354 -6.078 -5.803 602 H THR 79 H THR 79 11.580 -7.521 -9.769 603 HA THR 79 HA THR 79 11.513 -6.574 -12.421 604 HB THR 79 HB THR 79 11.729 -8.961 -11.902 605 HG1 THR 79 HG1 THR 79 10.997 -9.053 -13.887 606 HG21 THR 79 HG21 THR 79 9.796 -10.288 -11.214 607 HG22 THR 79 HG22 THR 79 8.809 -8.829 -11.106 608 HG23 THR 79 HG23 THR 79 10.164 -9.065 -9.999 609 H ALA 80 H ALA 80 9.352 -7.031 -13.771 610 HA ALA 80 HA ALA 80 7.719 -4.781 -13.127 611 HB1 ALA 80 HB1 ALA 80 6.554 -5.272 -15.212 612 HB2 ALA 80 HB2 ALA 80 7.377 -6.829 -15.313 613 HB3 ALA 80 HB3 ALA 80 8.306 -5.333 -15.422 614 H SER 81 H SER 81 6.955 -5.622 -11.019 615 HA SER 81 HA SER 81 5.175 -6.092 -9.712 616 HB2 SER 81 HB2 SER 81 3.725 -6.243 -12.359 617 HB3 SER 81 HB3 SER 81 2.914 -6.373 -10.798 618 HG SER 81 HG SER 81 3.057 -4.207 -11.819 619 HA PRO 82 HA PRO 82 5.555 -10.674 -9.311 620 HB2 PRO 82 HB2 PRO 82 4.321 -9.485 -6.839 621 HB3 PRO 82 HB3 PRO 82 5.474 -10.817 -6.986 622 HG2 PRO 82 HG2 PRO 82 6.368 -8.463 -6.270 623 HG3 PRO 82 HG3 PRO 82 7.259 -9.381 -7.502 624 HD2 PRO 82 HD2 PRO 82 5.432 -7.040 -7.830 625 HD3 PRO 82 HD3 PRO 82 6.937 -7.429 -8.692 626 HA PRO 83 HA PRO 83 2.175 -13.076 -7.776 627 HB2 PRO 83 HB2 PRO 83 4.803 -13.453 -9.184 628 HB3 PRO 83 HB3 PRO 83 3.674 -14.688 -8.594 629 HG2 PRO 83 HG2 PRO 83 3.565 -13.518 -11.145 630 HG3 PRO 83 HG3 PRO 83 2.229 -14.374 -10.356 631 HD2 PRO 83 HD2 PRO 83 2.201 -11.656 -11.057 632 HD3 PRO 83 HD3 PRO 83 1.125 -12.404 -9.850 633 H THR 84 H THR 84 2.587 -11.015 -6.254 634 HA THR 84 HA THR 84 2.838 -12.018 -3.914 635 HB THR 84 HB THR 84 5.069 -13.025 -4.263 636 HG1 THR 84 HG1 THR 84 5.049 -11.025 -2.218 637 HG21 THR 84 HG21 THR 84 6.197 -11.343 -5.596 638 HG22 THR 84 HG22 THR 84 7.091 -11.612 -4.103 639 HG23 THR 84 HG23 THR 84 6.083 -10.177 -4.277 640 H ASP 85 H ASP 85 4.894 -9.386 -5.195 641 HA ASP 85 HA ASP 85 3.420 -7.468 -3.517 642 HB2 ASP 85 HB2 ASP 85 6.091 -7.058 -4.895 643 HB3 ASP 85 HB3 ASP 85 5.357 -6.027 -3.671 644 H LEU 86 H LEU 86 3.942 -5.117 -4.843 645 HA LEU 86 HA LEU 86 3.173 -5.461 -7.661 646 HB2 LEU 86 HB2 LEU 86 1.613 -3.868 -5.622 647 HB3 LEU 86 HB3 LEU 86 1.472 -3.577 -7.346 648 HG LEU 86 HG LEU 86 0.816 -6.192 -5.969 649 HD11 LEU 86 HD11 LEU 86 -0.767 -4.434 -5.374 650 HD12 LEU 86 HD12 LEU 86 -1.514 -5.628 -6.431 651 HD13 LEU 86 HD13 LEU 86 -1.019 -4.064 -7.081 652 HD21 LEU 86 HD21 LEU 86 1.569 -6.530 -8.260 653 HD22 LEU 86 HD22 LEU 86 0.433 -5.310 -8.838 654 HD23 LEU 86 HD23 LEU 86 -0.164 -6.815 -8.138 655 H ILE 87 H ILE 87 4.078 -3.983 -9.024 656 HA ILE 87 HA ILE 87 5.772 -1.907 -7.863 657 HB ILE 87 HB ILE 87 5.624 -3.181 -10.573 658 HG12 ILE 87 HG12 ILE 87 8.038 -3.432 -10.241 659 HG13 ILE 87 HG13 ILE 87 7.962 -2.460 -8.777 660 HG21 ILE 87 HG21 ILE 87 6.939 -0.512 -10.039 661 HG22 ILE 87 HG22 ILE 87 5.564 -0.807 -11.104 662 HG23 ILE 87 HG23 ILE 87 7.145 -1.478 -11.500 663 HD11 ILE 87 HD11 ILE 87 8.162 -4.797 -8.241 664 HD12 ILE 87 HD12 ILE 87 6.721 -5.171 -9.185 665 HD13 ILE 87 HD13 ILE 87 6.589 -4.196 -7.721 666 H TRP 88 H TRP 88 5.223 0.122 -7.736 667 HA TRP 88 HA TRP 88 2.666 1.026 -8.807 668 HB2 TRP 88 HB2 TRP 88 3.246 1.277 -6.400 669 HB3 TRP 88 HB3 TRP 88 4.577 2.335 -6.850 670 HD1 TRP 88 HD1 TRP 88 0.887 2.442 -8.055 671 HE1 TRP 88 HE1 TRP 88 -0.037 4.781 -7.528 672 HE3 TRP 88 HE3 TRP 88 4.948 4.384 -5.645 673 HZ2 TRP 88 HZ2 TRP 88 0.839 7.137 -6.247 674 HZ3 TRP 88 HZ3 TRP 88 4.824 6.688 -4.792 675 HH2 TRP 88 HH2 TRP 88 2.810 8.037 -5.088 676 H LYS 89 H LYS 89 2.706 1.951 -10.783 677 HA LYS 89 HA LYS 89 5.165 3.202 -11.758 678 HB2 LYS 89 HB2 LYS 89 2.625 2.390 -13.182 679 HB3 LYS 89 HB3 LYS 89 4.004 3.141 -13.976 680 HG2 LYS 89 HG2 LYS 89 5.410 1.243 -13.408 681 HG3 LYS 89 HG3 LYS 89 4.083 0.502 -12.508 682 HD2 LYS 89 HD2 LYS 89 2.772 0.298 -14.549 683 HD3 LYS 89 HD3 LYS 89 4.027 1.129 -15.469 684 HE2 LYS 89 HE2 LYS 89 4.435 -1.489 -14.019 685 HE3 LYS 89 HE3 LYS 89 4.033 -1.354 -15.730 686 HZ1 LYS 89 HZ1 LYS 89 6.481 -0.297 -14.418 687 HZ2 LYS 89 HZ2 LYS 89 6.087 -0.088 -16.049 688 HZ3 LYS 89 HZ3 LYS 89 6.391 -1.637 -15.447 689 H ASN 90 H ASN 90 2.576 4.403 -10.133 690 HA ASN 90 HA ASN 90 1.927 6.678 -11.757 691 HB2 ASN 90 HB2 ASN 90 1.419 6.111 -8.831 692 HB3 ASN 90 HB3 ASN 90 0.819 7.539 -9.671 693 HD21 ASN 90 HD21 ASN 90 -0.827 7.315 -11.174 694 HD22 ASN 90 HD22 ASN 90 -1.774 5.876 -11.290 695 H GLN 91 H GLN 91 4.133 6.155 -9.023 696 HA GLN 91 HA GLN 91 5.600 8.554 -9.783 697 HB2 GLN 91 HB2 GLN 91 3.804 9.152 -8.038 698 HB3 GLN 91 HB3 GLN 91 4.770 8.229 -6.895 699 HG2 GLN 91 HG2 GLN 91 6.671 9.720 -7.306 700 HG3 GLN 91 HG3 GLN 91 5.700 10.633 -8.459 701 HE21 GLN 91 HE21 GLN 91 6.971 11.573 -6.043 702 HE22 GLN 91 HE22 GLN 91 5.714 12.223 -5.055 703 H ASN 92 H ASN 92 7.739 8.662 -8.751 704 HA ASN 92 HA ASN 92 8.803 5.953 -8.534 705 HB2 ASN 92 HB2 ASN 92 10.292 8.572 -8.814 706 HB3 ASN 92 HB3 ASN 92 10.958 6.955 -9.024 707 HD21 ASN 92 HD21 ASN 92 10.499 5.819 -10.903 708 HD22 ASN 92 HD22 ASN 92 9.789 6.567 -12.287 709 H SER 93 H SER 93 10.884 5.828 -7.133 710 HA SER 93 HA SER 93 10.203 5.929 -4.422 711 HB2 SER 93 HB2 SER 93 11.914 4.412 -5.350 712 HB3 SER 93 HB3 SER 93 12.970 5.786 -5.659 713 HG SER 93 HG SER 93 12.179 5.788 -3.077 714 H TRP 94 H TRP 94 10.256 7.510 -2.937 715 HA TRP 94 HA TRP 94 11.454 10.090 -3.706 716 HB2 TRP 94 HB2 TRP 94 9.855 11.154 -2.227 717 HB3 TRP 94 HB3 TRP 94 8.998 10.067 -3.310 718 HD1 TRP 94 HD1 TRP 94 9.594 10.763 0.346 719 HE1 TRP 94 HE1 TRP 94 8.241 9.104 1.777 720 HE3 TRP 94 HE3 TRP 94 8.140 7.503 -3.329 721 HZ2 TRP 94 HZ2 TRP 94 6.757 6.729 1.397 722 HZ3 TRP 94 HZ3 TRP 94 6.759 5.564 -2.705 723 HH2 TRP 94 HH2 TRP 94 6.085 5.188 -0.393 724 H GLY 95 H GLY 95 11.713 11.434 -1.413 725 HA2 GLY 95 HA2 GLY 95 12.935 9.863 0.690 726 HA3 GLY 95 HA3 GLY 95 14.089 10.772 -0.273 727 H THR 96 H THR 96 11.626 10.943 2.158 728 HA THR 96 HA THR 96 12.565 13.464 3.106 729 HB THR 96 HB THR 96 11.219 14.403 1.310 730 HG1 THR 96 HG1 THR 96 10.540 15.881 2.672 731 HG21 THR 96 HG21 THR 96 8.800 14.028 1.173 732 HG22 THR 96 HG22 THR 96 8.897 12.871 2.500 733 HG23 THR 96 HG23 THR 96 9.683 12.515 0.961 734 H GLY 97 H GLY 97 11.412 14.190 5.056 735 HA2 GLY 97 HA2 GLY 97 10.347 11.879 6.537 736 HA3 GLY 97 HA3 GLY 97 10.990 13.352 7.243 737 H GLU 98 H GLU 98 8.989 14.231 4.747 738 HA GLU 98 HA GLU 98 7.006 15.306 6.474 739 HB2 GLU 98 HB2 GLU 98 7.034 15.046 3.458 740 HB3 GLU 98 HB3 GLU 98 5.854 15.979 4.368 741 HG2 GLU 98 HG2 GLU 98 8.825 16.485 4.228 742 HG3 GLU 98 HG3 GLU 98 7.556 17.433 3.456 743 H ASP 99 H ASP 99 4.708 14.926 6.406 744 HA ASP 99 HA ASP 99 4.005 12.283 6.917 745 HB2 ASP 99 HB2 ASP 99 2.609 14.859 6.762 746 HB3 ASP 99 HB3 ASP 99 1.582 13.496 6.339 747 H VAL 100 H VAL 100 4.682 11.010 5.085 748 HA VAL 100 HA VAL 100 3.038 11.132 2.708 749 HB VAL 100 HB VAL 100 5.270 10.231 2.464 750 HG11 VAL 100 HG11 VAL 100 5.985 8.132 3.479 751 HG12 VAL 100 HG12 VAL 100 4.462 8.023 4.360 752 HG13 VAL 100 HG13 VAL 100 5.592 9.331 4.710 753 HG21 VAL 100 HG21 VAL 100 4.762 8.104 1.318 754 HG22 VAL 100 HG22 VAL 100 3.585 9.364 0.942 755 HG23 VAL 100 HG23 VAL 100 3.172 8.084 2.081 756 H LYS 101 H LYS 101 0.972 11.155 3.676 757 HA LYS 101 HA LYS 101 0.167 8.922 5.362 758 HB2 LYS 101 HB2 LYS 101 -0.461 11.209 5.995 759 HB3 LYS 101 HB3 LYS 101 -1.355 11.390 4.492 760 HG2 LYS 101 HG2 LYS 101 -2.978 9.781 5.166 761 HG3 LYS 101 HG3 LYS 101 -2.014 9.307 6.565 762 HD2 LYS 101 HD2 LYS 101 -3.035 12.122 6.231 763 HD3 LYS 101 HD3 LYS 101 -4.035 10.862 6.948 764 HE2 LYS 101 HE2 LYS 101 -3.009 12.017 8.748 765 HE3 LYS 101 HE3 LYS 101 -2.174 10.474 8.609 766 HZ1 LYS 101 HZ1 LYS 101 -0.451 11.732 7.286 767 HZ2 LYS 101 HZ2 LYS 101 -0.530 12.106 8.932 768 HZ3 LYS 101 HZ3 LYS 101 -1.209 13.153 7.797 769 H VAL 102 H VAL 102 -0.295 7.111 4.323 770 HA VAL 102 HA VAL 102 -1.577 7.138 1.703 771 HB VAL 102 HB VAL 102 -0.547 4.813 3.349 772 HG11 VAL 102 HG11 VAL 102 -2.289 4.122 1.779 773 HG12 VAL 102 HG12 VAL 102 -0.711 3.515 1.280 774 HG13 VAL 102 HG13 VAL 102 -1.421 4.906 0.458 775 HG21 VAL 102 HG21 VAL 102 0.708 6.252 1.002 776 HG22 VAL 102 HG22 VAL 102 1.354 4.815 1.796 777 HG23 VAL 102 HG23 VAL 102 1.246 6.337 2.680 778 H ILE 103 H ILE 103 -3.696 6.912 1.450 779 HA ILE 103 HA ILE 103 -5.350 5.892 3.670 780 HB ILE 103 HB ILE 103 -6.312 7.459 1.266 781 HG12 ILE 103 HG12 ILE 103 -4.653 8.808 2.520 782 HG13 ILE 103 HG13 ILE 103 -6.276 9.474 2.648 783 HG21 ILE 103 HG21 ILE 103 -7.559 6.944 3.970 784 HG22 ILE 103 HG22 ILE 103 -8.026 6.187 2.446 785 HG23 ILE 103 HG23 ILE 103 -8.260 7.921 2.678 786 HD11 ILE 103 HD11 ILE 103 -4.860 7.845 4.748 787 HD12 ILE 103 HD12 ILE 103 -6.491 8.507 4.883 788 HD13 ILE 103 HD13 ILE 103 -5.104 9.590 4.764 789 H LEU 104 H LEU 104 -6.047 3.828 3.426 790 HA LEU 104 HA LEU 104 -6.214 2.645 0.758 791 HB2 LEU 104 HB2 LEU 104 -6.543 1.418 3.500 792 HB3 LEU 104 HB3 LEU 104 -6.654 0.523 1.997 793 HG LEU 104 HG LEU 104 -4.195 1.908 3.081 794 HD11 LEU 104 HD11 LEU 104 -3.295 -0.352 3.255 795 HD12 LEU 104 HD12 LEU 104 -4.825 -1.015 2.677 796 HD13 LEU 104 HD13 LEU 104 -4.759 -0.171 4.225 797 HD21 LEU 104 HD21 LEU 104 -4.560 0.368 0.503 798 HD22 LEU 104 HD22 LEU 104 -3.020 0.938 1.149 799 HD23 LEU 104 HD23 LEU 104 -4.248 2.099 0.650 800 H LYS 105 H LYS 105 -8.063 2.587 -0.353 801 HA LYS 105 HA LYS 105 -10.626 2.447 1.121 802 HB2 LYS 105 HB2 LYS 105 -10.128 4.075 -1.386 803 HB3 LYS 105 HB3 LYS 105 -11.656 3.933 -0.527 804 HG2 LYS 105 HG2 LYS 105 -10.604 5.012 1.440 805 HG3 LYS 105 HG3 LYS 105 -9.133 5.233 0.490 806 HD2 LYS 105 HD2 LYS 105 -10.420 6.573 -1.143 807 HD3 LYS 105 HD3 LYS 105 -11.857 6.388 -0.133 808 HE2 LYS 105 HE2 LYS 105 -10.644 7.508 1.717 809 HE3 LYS 105 HE3 LYS 105 -9.277 7.763 0.634 810 HZ1 LYS 105 HZ1 LYS 105 -12.007 8.891 0.349 811 HZ2 LYS 105 HZ2 LYS 105 -10.791 9.038 -0.818 812 HZ3 LYS 105 HZ3 LYS 105 -10.585 9.734 0.707 813 H ASN 106 H ASN 106 -12.452 1.643 -0.275 814 HA ASN 106 HA ASN 106 -11.521 -0.378 -2.195 815 HB2 ASN 106 HB2 ASN 106 -14.237 0.056 -0.931 816 HB3 ASN 106 HB3 ASN 106 -13.881 -1.205 -2.105 817 HD21 ASN 106 HD21 ASN 106 -12.507 -2.907 -1.505 818 HD22 ASN 106 HD22 ASN 106 -12.219 -3.280 0.156 819 H SER 107 H SER 107 -13.274 -0.716 -4.050 820 HA SER 107 HA SER 107 -12.758 1.331 -5.874 821 HB2 SER 107 HB2 SER 107 -13.283 -1.083 -6.403 822 HB3 SER 107 HB3 SER 107 -14.985 -0.695 -6.164 823 HG SER 107 HG SER 107 -14.979 0.542 -7.950 824 H GLN 108 H GLN 108 -15.627 0.863 -3.841 825 HA GLN 108 HA GLN 108 -17.198 2.825 -5.240 826 HB2 GLN 108 HB2 GLN 108 -17.582 1.567 -2.515 827 HB3 GLN 108 HB3 GLN 108 -18.736 2.657 -3.273 828 HG2 GLN 108 HG2 GLN 108 -18.922 1.045 -5.164 829 HG3 GLN 108 HG3 GLN 108 -17.895 -0.066 -4.257 830 HE21 GLN 108 HE21 GLN 108 -19.524 -1.627 -4.107 831 HE22 GLN 108 HE22 GLN 108 -20.905 -1.426 -3.088 832 H GLY 109 H GLY 109 -14.503 3.292 -3.431 833 HA2 GLY 109 HA2 GLY 109 -13.579 5.312 -2.733 834 HA3 GLY 109 HA3 GLY 109 -15.137 6.084 -2.974 835 H GLU 110 H GLU 110 -14.717 3.229 -0.994 836 HA GLU 110 HA GLU 110 -15.502 4.791 1.373 837 HB2 GLU 110 HB2 GLU 110 -16.225 2.618 2.309 838 HB3 GLU 110 HB3 GLU 110 -17.026 2.999 0.792 839 HG2 GLU 110 HG2 GLU 110 -15.321 1.529 -0.347 840 HG3 GLU 110 HG3 GLU 110 -14.815 1.013 1.259 841 H GLU 111 H GLU 111 -14.124 5.057 3.041 842 HA GLU 111 HA GLU 111 -11.403 4.180 2.740 843 HB2 GLU 111 HB2 GLU 111 -12.035 6.436 3.575 844 HB3 GLU 111 HB3 GLU 111 -12.679 5.692 5.033 845 HG2 GLU 111 HG2 GLU 111 -10.433 4.828 5.560 846 HG3 GLU 111 HG3 GLU 111 -9.803 5.632 4.122 847 H VAL 112 H VAL 112 -10.274 2.684 3.889 848 HA VAL 112 HA VAL 112 -11.769 1.029 5.833 849 HB VAL 112 HB VAL 112 -9.418 0.202 4.109 850 HG11 VAL 112 HG11 VAL 112 -9.917 -2.077 4.876 851 HG12 VAL 112 HG12 VAL 112 -11.188 -1.449 5.924 852 HG13 VAL 112 HG13 VAL 112 -9.505 -1.020 6.228 853 HG21 VAL 112 HG21 VAL 112 -11.404 0.567 2.753 854 HG22 VAL 112 HG22 VAL 112 -12.355 -0.454 3.834 855 HG23 VAL 112 HG23 VAL 112 -11.055 -1.158 2.871 856 H ALA 113 H ALA 113 -8.352 1.828 5.067 857 HA ALA 113 HA ALA 113 -7.871 2.467 7.886 858 HB1 ALA 113 HB1 ALA 113 -5.946 0.994 8.049 859 HB2 ALA 113 HB2 ALA 113 -6.223 0.409 6.409 860 HB3 ALA 113 HB3 ALA 113 -7.395 0.063 7.681 861 H GLN 114 H GLN 114 -5.727 3.494 8.235 862 HA GLN 114 HA GLN 114 -4.333 4.468 5.875 863 HB2 GLN 114 HB2 GLN 114 -4.574 6.843 6.492 864 HB3 GLN 114 HB3 GLN 114 -6.111 6.103 6.070 865 HG2 GLN 114 HG2 GLN 114 -6.678 5.904 8.442 866 HG3 GLN 114 HG3 GLN 114 -5.134 6.635 8.877 867 HE21 GLN 114 HE21 GLN 114 -8.284 7.196 7.514 868 HE22 GLN 114 HE22 GLN 114 -8.229 8.919 7.600 869 H ARG 115 H ARG 115 -2.339 5.589 6.358 870 HA ARG 115 HA ARG 115 -1.333 5.761 9.041 871 HB2 ARG 115 HB2 ARG 115 -1.177 3.319 8.694 872 HB3 ARG 115 HB3 ARG 115 -0.206 3.581 7.253 873 HG2 ARG 115 HG2 ARG 115 1.561 4.573 8.610 874 HG3 ARG 115 HG3 ARG 115 0.581 4.355 10.062 875 HD2 ARG 115 HD2 ARG 115 1.536 2.122 8.266 876 HD3 ARG 115 HD3 ARG 115 2.310 2.603 9.774 877 HE ARG 115 HE ARG 115 -0.480 1.927 10.050 878 HH11 ARG 115 HH11 ARG 115 2.747 0.720 10.057 879 HH12 ARG 115 HH12 ARG 115 2.347 -0.676 10.985 880 HH21 ARG 115 HH21 ARG 115 -0.981 0.130 11.263 881 HH22 ARG 115 HH22 ARG 115 0.261 -1.011 11.651 882 H SER 116 H SER 116 0.840 6.693 9.123 883 HA SER 116 HA SER 116 1.966 7.606 6.566 884 HB2 SER 116 HB2 SER 116 2.140 9.920 7.337 885 HB3 SER 116 HB3 SER 116 0.454 9.408 7.361 886 HG SER 116 HG SER 116 1.718 10.499 9.315 887 H THR 117 H THR 117 3.902 9.350 7.653 888 HA THR 117 HA THR 117 5.937 7.582 8.447 889 HB THR 117 HB THR 117 7.179 9.731 9.098 890 HG1 THR 117 HG1 THR 117 5.898 11.406 9.329 891 HG21 THR 117 HG21 THR 117 6.011 9.550 6.313 892 HG22 THR 117 HG22 THR 117 7.440 8.691 6.892 893 HG23 THR 117 HG23 THR 117 7.457 10.450 6.772 894 H VAL 118 H VAL 118 5.375 6.403 10.275 895 HA VAL 118 HA VAL 118 4.531 7.565 12.724 896 HB VAL 118 HB VAL 118 5.953 4.914 12.357 897 HG11 VAL 118 HG11 VAL 118 5.869 5.693 14.691 898 HG12 VAL 118 HG12 VAL 118 4.859 4.269 14.441 899 HG13 VAL 118 HG13 VAL 118 4.117 5.864 14.567 900 HG21 VAL 118 HG21 VAL 118 3.990 5.027 10.913 901 HG22 VAL 118 HG22 VAL 118 2.994 5.531 12.280 902 HG23 VAL 118 HG23 VAL 118 3.708 3.918 12.256 903 H PHE 119 H PHE 119 5.924 9.306 13.098 904 HA PHE 119 HA PHE 119 8.765 8.983 13.385 905 HB2 PHE 119 HB2 PHE 119 8.658 11.365 14.189 906 HB3 PHE 119 HB3 PHE 119 7.957 11.094 12.599 907 HD1 PHE 119 HD1 PHE 119 7.229 11.890 16.111 908 HD2 PHE 119 HD2 PHE 119 5.590 11.356 12.213 909 HE1 PHE 119 HE1 PHE 119 5.135 12.953 16.843 910 HE2 PHE 119 HE2 PHE 119 3.500 12.421 12.941 911 HZ PHE 119 HZ PHE 119 3.270 13.219 15.260 912 H LYS 120 H LYS 120 7.033 7.346 15.187 913 HA LYS 120 HA LYS 120 8.278 8.107 17.728 914 HB2 LYS 120 HB2 LYS 120 5.840 8.939 17.523 915 HB3 LYS 120 HB3 LYS 120 5.388 7.244 17.648 916 HG2 LYS 120 HG2 LYS 120 6.536 7.117 19.827 917 HG3 LYS 120 HG3 LYS 120 6.924 8.836 19.698 918 HD2 LYS 120 HD2 LYS 120 4.392 9.194 19.438 919 HD3 LYS 120 HD3 LYS 120 4.226 7.536 20.022 920 HE2 LYS 120 HE2 LYS 120 3.985 9.072 21.868 921 HE3 LYS 120 HE3 LYS 120 5.492 8.173 22.056 922 HZ1 LYS 120 HZ1 LYS 120 6.687 10.075 21.156 923 HZ2 LYS 120 HZ2 LYS 120 5.799 10.521 22.520 924 HZ3 LYS 120 HZ3 LYS 120 5.244 10.932 20.977 925 H THR 121 H THR 121 9.079 6.364 18.827 926 HA THR 121 HA THR 121 8.663 3.721 17.629 927 HB THR 121 HB THR 121 10.993 4.459 17.965 928 HG1 THR 121 HG1 THR 121 10.871 2.294 17.975 929 HG21 THR 121 HG21 THR 121 10.355 4.324 20.919 930 HG22 THR 121 HG22 THR 121 10.719 5.788 20.004 931 HG23 THR 121 HG23 THR 121 11.957 4.551 20.216 932 H THR 122 H THR 122 7.541 2.122 18.582 933 HA THR 122 HA THR 122 6.520 2.607 21.319 934 HB THR 122 HB THR 122 4.664 2.854 19.883 935 HG1 THR 122 HG1 THR 122 4.596 1.159 21.722 936 HG21 THR 122 HG21 THR 122 5.431 0.261 18.526 937 HG22 THR 122 HG22 THR 122 5.580 1.879 17.836 938 HG23 THR 122 HG23 THR 122 3.985 1.212 18.185 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -16.078 -10.101 -27.578 2 H2 MET 1 H2 MET 1 -15.353 -8.894 -26.637 3 H3 MET 1 H3 MET 1 -16.701 -9.728 -26.051 4 HA MET 1 HA MET 1 -15.475 -11.777 -25.976 5 HB2 MET 1 HB2 MET 1 -13.033 -11.755 -26.375 6 HB3 MET 1 HB3 MET 1 -13.955 -11.380 -27.822 7 HG2 MET 1 HG2 MET 1 -13.468 -9.012 -27.547 8 HG3 MET 1 HG3 MET 1 -12.588 -9.355 -26.059 9 HE1 MET 1 HE1 MET 1 -10.500 -8.002 -27.026 10 HE2 MET 1 HE2 MET 1 -11.364 -7.693 -28.535 11 HE3 MET 1 HE3 MET 1 -9.734 -8.363 -28.572 12 H GLY 2 H GLY 2 -14.313 -12.408 -24.104 13 HA2 GLY 2 HA2 GLY 2 -12.928 -10.913 -22.283 14 HA3 GLY 2 HA3 GLY 2 -14.609 -10.545 -21.923 15 H HIS 3 H HIS 3 -12.824 -11.802 -20.118 16 HA HIS 3 HA HIS 3 -14.211 -14.378 -19.770 17 HB2 HIS 3 HB2 HIS 3 -11.984 -15.325 -18.926 18 HB3 HIS 3 HB3 HIS 3 -12.178 -15.129 -20.663 19 HD1 HIS 3 HD1 HIS 3 -10.451 -13.798 -21.852 20 HD2 HIS 3 HD2 HIS 3 -10.287 -13.243 -17.732 21 HE1 HIS 3 HE1 HIS 3 -8.380 -12.439 -21.435 22 HE2 HIS 3 HE2 HIS 3 -8.362 -12.012 -18.957 23 H HIS 4 H HIS 4 -14.284 -11.618 -18.453 24 HA HIS 4 HA HIS 4 -13.739 -12.482 -15.683 25 HB2 HIS 4 HB2 HIS 4 -14.250 -9.717 -16.804 26 HB3 HIS 4 HB3 HIS 4 -14.036 -10.074 -15.091 27 HD1 HIS 4 HD1 HIS 4 -11.631 -10.767 -14.323 28 HD2 HIS 4 HD2 HIS 4 -11.910 -9.599 -18.297 29 HE1 HIS 4 HE1 HIS 4 -9.270 -10.427 -15.088 30 HE2 HIS 4 HE2 HIS 4 -9.487 -9.492 -17.410 31 H HIS 5 H HIS 5 -15.527 -13.723 -15.192 32 HA HIS 5 HA HIS 5 -18.171 -12.413 -15.385 33 HB2 HIS 5 HB2 HIS 5 -17.428 -15.335 -15.182 34 HB3 HIS 5 HB3 HIS 5 -19.080 -14.746 -15.026 35 HD1 HIS 5 HD1 HIS 5 -20.287 -14.023 -17.157 36 HD2 HIS 5 HD2 HIS 5 -16.357 -15.214 -17.800 37 HE1 HIS 5 HE1 HIS 5 -20.051 -14.238 -19.645 38 HE2 HIS 5 HE2 HIS 5 -17.727 -15.135 -19.997 39 H HIS 6 H HIS 6 -15.778 -13.265 -13.118 40 HA HIS 6 HA HIS 6 -17.544 -13.897 -10.935 41 HB2 HIS 6 HB2 HIS 6 -14.584 -13.297 -11.036 42 HB3 HIS 6 HB3 HIS 6 -15.438 -13.691 -9.547 43 HD1 HIS 6 HD1 HIS 6 -15.811 -16.121 -9.054 44 HD2 HIS 6 HD2 HIS 6 -14.559 -15.474 -12.960 45 HE1 HIS 6 HE1 HIS 6 -15.357 -18.396 -9.993 46 HE2 HIS 6 HE2 HIS 6 -14.831 -17.988 -12.415 47 H HIS 7 H HIS 7 -18.968 -12.082 -10.961 48 HA HIS 7 HA HIS 7 -17.859 -9.717 -9.569 49 HB2 HIS 7 HB2 HIS 7 -20.045 -9.700 -11.674 50 HB3 HIS 7 HB3 HIS 7 -19.514 -8.301 -10.750 51 HD1 HIS 7 HD1 HIS 7 -19.143 -9.670 -13.951 52 HD2 HIS 7 HD2 HIS 7 -16.489 -7.965 -11.249 53 HE1 HIS 7 HE1 HIS 7 -17.175 -8.940 -15.320 54 HE2 HIS 7 HE2 HIS 7 -15.681 -7.731 -13.697 55 H HIS 8 H HIS 8 -18.613 -9.853 -7.522 56 HA HIS 8 HA HIS 8 -21.534 -10.021 -7.202 57 HB2 HIS 8 HB2 HIS 8 -21.310 -11.293 -5.122 58 HB3 HIS 8 HB3 HIS 8 -20.608 -12.180 -6.466 59 HD1 HIS 8 HD1 HIS 8 -17.956 -12.337 -6.506 60 HD2 HIS 8 HD2 HIS 8 -19.600 -10.758 -3.029 61 HE1 HIS 8 HE1 HIS 8 -16.135 -12.449 -4.786 62 HE2 HIS 8 HE2 HIS 8 -17.202 -11.646 -2.657 63 H SER 9 H SER 9 -22.245 -8.127 -6.461 64 HA SER 9 HA SER 9 -20.361 -6.216 -5.356 65 HB2 SER 9 HB2 SER 9 -22.295 -4.622 -5.527 66 HB3 SER 9 HB3 SER 9 -21.865 -5.400 -7.048 67 HG SER 9 HG SER 9 -24.106 -5.440 -6.763 68 H HIS 10 H HIS 10 -20.362 -7.966 -3.466 69 HA HIS 10 HA HIS 10 -21.565 -6.557 -1.230 70 HB2 HIS 10 HB2 HIS 10 -22.118 -9.491 -1.748 71 HB3 HIS 10 HB3 HIS 10 -22.346 -8.730 -0.179 72 HD1 HIS 10 HD1 HIS 10 -24.249 -6.870 -0.057 73 HD2 HIS 10 HD2 HIS 10 -24.199 -9.160 -3.525 74 HE1 HIS 10 HE1 HIS 10 -26.475 -6.494 -1.142 75 HE2 HIS 10 HE2 HIS 10 -26.338 -7.723 -3.330 76 H MET 11 H MET 11 -19.352 -5.990 -0.846 77 HA MET 11 HA MET 11 -17.762 -8.138 0.396 78 HB2 MET 11 HB2 MET 11 -16.718 -6.228 -1.710 79 HB3 MET 11 HB3 MET 11 -15.710 -7.292 -0.741 80 HG2 MET 11 HG2 MET 11 -17.856 -8.203 -2.652 81 HG3 MET 11 HG3 MET 11 -16.128 -8.159 -3.001 82 HE1 MET 11 HE1 MET 11 -14.334 -9.674 -1.804 83 HE2 MET 11 HE2 MET 11 -14.712 -10.844 -0.537 84 HE3 MET 11 HE3 MET 11 -14.863 -9.116 -0.216 85 H THR 12 H THR 12 -16.251 -7.476 1.939 86 HA THR 12 HA THR 12 -16.200 -4.609 2.663 87 HB THR 12 HB THR 12 -17.571 -5.704 4.339 88 HG1 THR 12 HG1 THR 12 -15.737 -5.512 6.137 89 HG21 THR 12 HG21 THR 12 -16.799 -8.009 4.062 90 HG22 THR 12 HG22 THR 12 -16.687 -7.520 5.753 91 HG23 THR 12 HG23 THR 12 -15.233 -7.585 4.754 92 H GLY 13 H GLY 13 -14.286 -4.193 4.256 93 HA2 GLY 13 HA2 GLY 13 -11.933 -4.823 2.730 94 HA3 GLY 13 HA3 GLY 13 -12.009 -3.807 4.157 95 H ASN 14 H ASN 14 -10.459 -6.367 3.035 96 HA ASN 14 HA ASN 14 -10.316 -7.721 5.660 97 HB2 ASN 14 HB2 ASN 14 -9.634 -8.805 2.915 98 HB3 ASN 14 HB3 ASN 14 -9.352 -9.665 4.427 99 HD21 ASN 14 HD21 ASN 14 -11.691 -8.706 2.088 100 HD22 ASN 14 HD22 ASN 14 -13.007 -9.607 2.742 101 H VAL 15 H VAL 15 -8.223 -7.016 2.842 102 HA VAL 15 HA VAL 15 -5.789 -7.214 4.301 103 HB VAL 15 HB VAL 15 -6.272 -5.813 1.655 104 HG11 VAL 15 HG11 VAL 15 -3.738 -6.921 2.874 105 HG12 VAL 15 HG12 VAL 15 -4.127 -5.219 2.615 106 HG13 VAL 15 HG13 VAL 15 -3.887 -6.289 1.234 107 HG21 VAL 15 HG21 VAL 15 -7.081 -8.119 1.578 108 HG22 VAL 15 HG22 VAL 15 -5.527 -8.698 2.177 109 HG23 VAL 15 HG23 VAL 15 -5.631 -7.930 0.592 110 H CYS 16 H CYS 16 -4.424 -5.588 5.098 111 HA CYS 16 HA CYS 16 -5.390 -2.816 5.062 112 HB2 CYS 16 HB2 CYS 16 -6.351 -3.754 7.100 113 HB3 CYS 16 HB3 CYS 16 -4.773 -4.353 7.602 114 HG CYS 16 HG CYS 16 -3.929 -2.192 8.738 115 H ILE 17 H ILE 17 -3.730 -1.369 6.280 116 HA ILE 17 HA ILE 17 -1.151 -1.834 5.049 117 HB ILE 17 HB ILE 17 -2.014 0.448 6.850 118 HG12 ILE 17 HG12 ILE 17 -1.936 0.335 3.820 119 HG13 ILE 17 HG13 ILE 17 -3.399 0.264 4.797 120 HG21 ILE 17 HG21 ILE 17 -0.113 1.658 5.862 121 HG22 ILE 17 HG22 ILE 17 0.335 0.210 4.959 122 HG23 ILE 17 HG23 ILE 17 0.411 0.210 6.721 123 HD11 ILE 17 HD11 ILE 17 -1.477 2.581 4.688 124 HD12 ILE 17 HD12 ILE 17 -2.968 2.507 5.627 125 HD13 ILE 17 HD13 ILE 17 -3.035 2.484 3.866 126 H GLU 18 H GLU 18 0.557 -2.795 6.042 127 HA GLU 18 HA GLU 18 0.601 -3.188 8.909 128 HB2 GLU 18 HB2 GLU 18 1.508 -4.952 7.524 129 HB3 GLU 18 HB3 GLU 18 2.628 -3.837 6.752 130 HG2 GLU 18 HG2 GLU 18 3.927 -3.624 8.722 131 HG3 GLU 18 HG3 GLU 18 2.698 -4.416 9.705 132 H GLU 19 H GLU 19 2.875 -1.639 6.624 133 HA GLU 19 HA GLU 19 2.672 0.927 7.597 134 HB2 GLU 19 HB2 GLU 19 3.634 0.062 9.716 135 HB3 GLU 19 HB3 GLU 19 5.077 -0.436 8.844 136 HG2 GLU 19 HG2 GLU 19 5.762 1.766 8.469 137 HG3 GLU 19 HG3 GLU 19 4.156 2.417 8.780 138 H ILE 20 H ILE 20 4.138 2.411 6.613 139 HA ILE 20 HA ILE 20 5.050 1.570 4.036 140 HB ILE 20 HB ILE 20 5.593 4.223 5.388 141 HG12 ILE 20 HG12 ILE 20 3.156 3.469 3.751 142 HG13 ILE 20 HG13 ILE 20 3.172 3.561 5.509 143 HG21 ILE 20 HG21 ILE 20 6.820 3.895 3.312 144 HG22 ILE 20 HG22 ILE 20 5.558 5.105 3.088 145 HG23 ILE 20 HG23 ILE 20 5.326 3.468 2.475 146 HD11 ILE 20 HD11 ILE 20 3.724 5.942 5.364 147 HD12 ILE 20 HD12 ILE 20 2.209 5.555 4.548 148 HD13 ILE 20 HD13 ILE 20 3.672 5.837 3.605 149 H ASP 21 H ASP 21 7.288 2.021 3.206 150 HA ASP 21 HA ASP 21 9.274 0.736 4.718 151 HB2 ASP 21 HB2 ASP 21 9.421 0.739 2.329 152 HB3 ASP 21 HB3 ASP 21 9.454 2.499 2.270 153 H VAL 22 H VAL 22 11.222 1.525 5.628 154 HA VAL 22 HA VAL 22 10.804 3.791 7.308 155 HB VAL 22 HB VAL 22 11.997 1.787 8.074 156 HG11 VAL 22 HG11 VAL 22 14.213 2.654 6.211 157 HG12 VAL 22 HG12 VAL 22 13.197 1.224 6.025 158 HG13 VAL 22 HG13 VAL 22 14.306 1.346 7.391 159 HG21 VAL 22 HG21 VAL 22 13.819 2.910 9.267 160 HG22 VAL 22 HG22 VAL 22 12.360 3.900 9.242 161 HG23 VAL 22 HG23 VAL 22 13.702 4.281 8.164 162 H ASP 23 H ASP 23 12.713 3.259 4.385 163 HA ASP 23 HA ASP 23 13.998 5.871 4.582 164 HB2 ASP 23 HB2 ASP 23 15.302 3.973 3.736 165 HB3 ASP 23 HB3 ASP 23 14.142 3.733 2.435 166 H GLY 24 H GLY 24 11.347 4.341 2.905 167 HA2 GLY 24 HA2 GLY 24 9.501 5.604 2.054 168 HA3 GLY 24 HA3 GLY 24 10.595 6.942 1.736 169 H LYS 25 H LYS 25 11.199 3.580 0.861 170 HA LYS 25 HA LYS 25 11.324 4.342 -1.967 171 HB2 LYS 25 HB2 LYS 25 12.114 1.728 -0.662 172 HB3 LYS 25 HB3 LYS 25 12.477 2.228 -2.307 173 HG2 LYS 25 HG2 LYS 25 13.851 4.079 -1.393 174 HG3 LYS 25 HG3 LYS 25 13.550 3.453 0.230 175 HD2 LYS 25 HD2 LYS 25 14.563 1.282 -0.493 176 HD3 LYS 25 HD3 LYS 25 14.980 2.043 -2.030 177 HE2 LYS 25 HE2 LYS 25 15.973 2.810 0.718 178 HE3 LYS 25 HE3 LYS 25 16.909 2.087 -0.590 179 HZ1 LYS 25 HZ1 LYS 25 17.375 4.407 -0.522 180 HZ2 LYS 25 HZ2 LYS 25 15.732 4.809 -0.525 181 HZ3 LYS 25 HZ3 LYS 25 16.439 4.125 -1.900 182 H PHE 26 H PHE 26 9.397 2.405 0.220 183 HA PHE 26 HA PHE 26 7.474 1.847 -1.872 184 HB2 PHE 26 HB2 PHE 26 7.478 -0.602 -1.517 185 HB3 PHE 26 HB3 PHE 26 9.002 -0.022 -2.177 186 HD1 PHE 26 HD1 PHE 26 7.345 -1.357 0.834 187 HD2 PHE 26 HD2 PHE 26 11.049 -0.215 -0.942 188 HE1 PHE 26 HE1 PHE 26 8.565 -2.483 2.654 189 HE2 PHE 26 HE2 PHE 26 12.268 -1.342 0.870 190 HZ PHE 26 HZ PHE 26 11.029 -2.476 2.673 191 H ILE 27 H ILE 27 5.647 0.408 -0.939 192 HA ILE 27 HA ILE 27 5.085 1.170 1.865 193 HB ILE 27 HB ILE 27 3.031 0.736 -0.326 194 HG12 ILE 27 HG12 ILE 27 3.999 3.383 0.807 195 HG13 ILE 27 HG13 ILE 27 4.484 2.734 -0.756 196 HG21 ILE 27 HG21 ILE 27 2.764 1.937 2.440 197 HG22 ILE 27 HG22 ILE 27 2.218 0.331 1.955 198 HG23 ILE 27 HG23 ILE 27 1.468 1.765 1.254 199 HD11 ILE 27 HD11 ILE 27 2.743 4.418 -0.974 200 HD12 ILE 27 HD12 ILE 27 1.675 3.458 0.048 201 HD13 ILE 27 HD13 ILE 27 2.178 2.842 -1.526 202 H ARG 28 H ARG 28 4.323 -0.477 3.227 203 HA ARG 28 HA ARG 28 4.167 -3.167 2.014 204 HB2 ARG 28 HB2 ARG 28 6.215 -2.968 3.271 205 HB3 ARG 28 HB3 ARG 28 5.352 -2.348 4.673 206 HG2 ARG 28 HG2 ARG 28 4.291 -4.481 5.029 207 HG3 ARG 28 HG3 ARG 28 4.976 -5.115 3.531 208 HD2 ARG 28 HD2 ARG 28 6.175 -5.846 5.598 209 HD3 ARG 28 HD3 ARG 28 7.196 -5.022 4.420 210 HE ARG 28 HE ARG 28 6.905 -2.999 5.876 211 HH11 ARG 28 HH11 ARG 28 6.538 -6.146 7.212 212 HH12 ARG 28 HH12 ARG 28 7.085 -5.665 8.771 213 HH21 ARG 28 HH21 ARG 28 7.586 -2.384 7.881 214 HH22 ARG 28 HH22 ARG 28 7.647 -3.545 9.160 215 H LEU 29 H LEU 29 2.104 -3.768 1.987 216 HA LEU 29 HA LEU 29 0.438 -3.348 4.388 217 HB2 LEU 29 HB2 LEU 29 -0.406 -4.096 1.577 218 HB3 LEU 29 HB3 LEU 29 -1.491 -3.889 2.937 219 HG LEU 29 HG LEU 29 -0.627 -1.466 3.038 220 HD11 LEU 29 HD11 LEU 29 1.324 -1.771 1.589 221 HD12 LEU 29 HD12 LEU 29 0.229 -0.542 0.961 222 HD13 LEU 29 HD13 LEU 29 0.258 -2.150 0.235 223 HD21 LEU 29 HD21 LEU 29 -2.214 -0.739 1.323 224 HD22 LEU 29 HD22 LEU 29 -2.867 -2.058 2.293 225 HD23 LEU 29 HD23 LEU 29 -2.259 -2.376 0.668 226 H LYS 30 H LYS 30 -1.274 -5.265 4.566 227 HA LYS 30 HA LYS 30 -0.097 -7.875 4.036 228 HB2 LYS 30 HB2 LYS 30 1.001 -7.169 6.119 229 HB3 LYS 30 HB3 LYS 30 -0.570 -6.892 6.860 230 HG2 LYS 30 HG2 LYS 30 -1.079 -9.298 6.625 231 HG3 LYS 30 HG3 LYS 30 0.531 -9.551 5.947 232 HD2 LYS 30 HD2 LYS 30 -0.098 -8.510 8.718 233 HD3 LYS 30 HD3 LYS 30 0.481 -10.131 8.322 234 HE2 LYS 30 HE2 LYS 30 2.564 -9.204 7.475 235 HE3 LYS 30 HE3 LYS 30 1.982 -7.567 7.775 236 HZ1 LYS 30 HZ1 LYS 30 1.857 -8.157 10.154 237 HZ2 LYS 30 HZ2 LYS 30 3.429 -8.201 9.533 238 HZ3 LYS 30 HZ3 LYS 30 2.586 -9.645 9.805 239 H ASN 31 H ASN 31 -1.609 -9.477 3.862 240 HA ASN 31 HA ASN 31 -4.393 -8.777 4.005 241 HB2 ASN 31 HB2 ASN 31 -3.628 -10.316 2.273 242 HB3 ASN 31 HB3 ASN 31 -3.068 -11.457 3.493 243 HD21 ASN 31 HD21 ASN 31 -4.416 -13.083 2.709 244 HD22 ASN 31 HD22 ASN 31 -6.123 -13.064 2.969 245 H THR 32 H THR 32 -4.604 -8.201 6.220 246 HA THR 32 HA THR 32 -4.273 -10.173 8.291 247 HB THR 32 HB THR 32 -5.487 -8.498 9.733 248 HG1 THR 32 HG1 THR 32 -6.607 -7.564 7.781 249 HG21 THR 32 HG21 THR 32 -3.040 -8.480 9.549 250 HG22 THR 32 HG22 THR 32 -3.668 -6.840 9.711 251 HG23 THR 32 HG23 THR 32 -3.147 -7.432 8.134 252 H SER 33 H SER 33 -5.527 -11.947 7.665 253 HA SER 33 HA SER 33 -8.332 -11.803 8.355 254 HB2 SER 33 HB2 SER 33 -9.168 -12.695 6.217 255 HB3 SER 33 HB3 SER 33 -8.390 -11.130 5.975 256 HG SER 33 HG SER 33 -7.093 -12.081 4.645 257 H GLU 34 H GLU 34 -9.302 -14.161 7.614 258 HA GLU 34 HA GLU 34 -7.513 -16.073 8.945 259 HB2 GLU 34 HB2 GLU 34 -10.495 -16.172 8.434 260 HB3 GLU 34 HB3 GLU 34 -9.580 -17.410 9.286 261 HG2 GLU 34 HG2 GLU 34 -8.984 -15.801 11.020 262 HG3 GLU 34 HG3 GLU 34 -9.855 -14.533 10.157 263 H GLN 35 H GLN 35 -8.324 -15.296 5.804 264 HA GLN 35 HA GLN 35 -7.325 -17.825 4.814 265 HB2 GLN 35 HB2 GLN 35 -9.850 -18.107 5.145 266 HB3 GLN 35 HB3 GLN 35 -10.051 -16.957 3.832 267 HG2 GLN 35 HG2 GLN 35 -8.865 -18.444 2.313 268 HG3 GLN 35 HG3 GLN 35 -8.583 -19.586 3.625 269 HE21 GLN 35 HE21 GLN 35 -9.962 -20.008 1.118 270 HE22 GLN 35 HE22 GLN 35 -11.557 -20.521 1.530 271 H ASP 36 H ASP 36 -7.129 -17.780 2.357 272 HA ASP 36 HA ASP 36 -5.668 -15.576 1.524 273 HB2 ASP 36 HB2 ASP 36 -7.145 -17.479 -0.304 274 HB3 ASP 36 HB3 ASP 36 -5.723 -16.524 -0.706 275 H GLN 37 H GLN 37 -6.298 -13.551 1.103 276 HA GLN 37 HA GLN 37 -8.872 -13.084 -0.268 277 HB2 GLN 37 HB2 GLN 37 -7.679 -11.491 2.013 278 HB3 GLN 37 HB3 GLN 37 -8.999 -10.904 1.013 279 HG2 GLN 37 HG2 GLN 37 -9.082 -13.401 2.704 280 HG3 GLN 37 HG3 GLN 37 -9.745 -11.836 3.168 281 HE21 GLN 37 HE21 GLN 37 -10.150 -14.626 1.162 282 HE22 GLN 37 HE22 GLN 37 -11.759 -14.273 0.652 283 HA PRO 38 HA PRO 38 -5.897 -11.093 -3.050 284 HB2 PRO 38 HB2 PRO 38 -7.643 -10.643 -5.082 285 HB3 PRO 38 HB3 PRO 38 -6.912 -12.224 -4.778 286 HG2 PRO 38 HG2 PRO 38 -9.628 -11.213 -4.009 287 HG3 PRO 38 HG3 PRO 38 -9.172 -12.786 -4.692 288 HD2 PRO 38 HD2 PRO 38 -9.645 -12.425 -2.039 289 HD3 PRO 38 HD3 PRO 38 -8.475 -13.614 -2.647 290 H MET 39 H MET 39 -5.334 -8.981 -3.199 291 HA MET 39 HA MET 39 -6.851 -6.932 -1.969 292 HB2 MET 39 HB2 MET 39 -4.313 -7.078 -2.277 293 HB3 MET 39 HB3 MET 39 -4.577 -6.495 -3.913 294 HG2 MET 39 HG2 MET 39 -3.951 -4.654 -2.527 295 HG3 MET 39 HG3 MET 39 -5.649 -4.469 -2.968 296 HE1 MET 39 HE1 MET 39 -5.233 -3.016 0.737 297 HE2 MET 39 HE2 MET 39 -5.594 -2.589 -0.937 298 HE3 MET 39 HE3 MET 39 -3.955 -3.050 -0.477 299 H GLY 40 H GLY 40 -5.617 -6.367 -5.238 300 HA2 GLY 40 HA2 GLY 40 -6.606 -5.773 -7.212 301 HA3 GLY 40 HA3 GLY 40 -7.969 -6.746 -6.699 302 H GLY 41 H GLY 41 -9.619 -5.644 -5.321 303 HA2 GLY 41 HA2 GLY 41 -10.328 -3.223 -6.751 304 HA3 GLY 41 HA3 GLY 41 -11.358 -4.138 -5.668 305 H TRP 42 H TRP 42 -8.215 -2.572 -5.076 306 HA TRP 42 HA TRP 42 -9.542 -0.853 -3.072 307 HB2 TRP 42 HB2 TRP 42 -6.802 -2.137 -2.969 308 HB3 TRP 42 HB3 TRP 42 -7.323 -0.874 -1.861 309 HD1 TRP 42 HD1 TRP 42 -8.501 -4.424 -2.918 310 HE1 TRP 42 HE1 TRP 42 -9.431 -5.596 -0.829 311 HE3 TRP 42 HE3 TRP 42 -8.034 -0.590 0.431 312 HZ2 TRP 42 HZ2 TRP 42 -9.912 -4.978 1.883 313 HZ3 TRP 42 HZ3 TRP 42 -8.753 -0.962 2.755 314 HH2 TRP 42 HH2 TRP 42 -9.673 -3.111 3.464 315 H GLU 43 H GLU 43 -8.864 1.277 -2.906 316 HA GLU 43 HA GLU 43 -7.163 2.289 -5.092 317 HB2 GLU 43 HB2 GLU 43 -9.506 3.023 -5.245 318 HB3 GLU 43 HB3 GLU 43 -9.417 3.680 -3.616 319 HG2 GLU 43 HG2 GLU 43 -7.745 5.302 -4.351 320 HG3 GLU 43 HG3 GLU 43 -7.799 4.631 -5.981 321 H MET 44 H MET 44 -5.193 2.712 -4.325 322 HA MET 44 HA MET 44 -4.777 3.595 -1.579 323 HB2 MET 44 HB2 MET 44 -3.322 1.847 -2.438 324 HB3 MET 44 HB3 MET 44 -2.840 2.867 -3.785 325 HG2 MET 44 HG2 MET 44 -1.817 4.443 -2.176 326 HG3 MET 44 HG3 MET 44 -2.231 3.336 -0.871 327 HE1 MET 44 HE1 MET 44 -0.039 3.844 -4.128 328 HE2 MET 44 HE2 MET 44 -1.028 2.430 -4.497 329 HE3 MET 44 HE3 MET 44 0.711 2.255 -4.264 330 H ILE 45 H ILE 45 -4.888 5.724 -1.154 331 HA ILE 45 HA ILE 45 -3.796 7.639 -3.122 332 HB ILE 45 HB ILE 45 -5.470 8.270 -0.672 333 HG12 ILE 45 HG12 ILE 45 -7.213 8.904 -2.476 334 HG13 ILE 45 HG13 ILE 45 -6.264 7.898 -3.565 335 HG21 ILE 45 HG21 ILE 45 -5.695 10.501 -1.702 336 HG22 ILE 45 HG22 ILE 45 -4.582 10.006 -2.979 337 HG23 ILE 45 HG23 ILE 45 -4.021 10.104 -1.309 338 HD11 ILE 45 HD11 ILE 45 -6.646 5.972 -2.121 339 HD12 ILE 45 HD12 ILE 45 -8.165 6.696 -2.649 340 HD13 ILE 45 HD13 ILE 45 -7.574 6.983 -1.011 341 H ARG 46 H ARG 46 -1.621 7.861 -2.733 342 HA ARG 46 HA ARG 46 -0.649 7.691 0.016 343 HB2 ARG 46 HB2 ARG 46 0.514 6.523 -1.912 344 HB3 ARG 46 HB3 ARG 46 1.032 8.114 -2.458 345 HG2 ARG 46 HG2 ARG 46 2.042 8.422 -0.143 346 HG3 ARG 46 HG3 ARG 46 1.761 6.699 0.097 347 HD2 ARG 46 HD2 ARG 46 4.031 7.008 -0.618 348 HD3 ARG 46 HD3 ARG 46 3.136 6.256 -1.937 349 HE ARG 46 HE ARG 46 3.719 8.042 -3.212 350 HH11 ARG 46 HH11 ARG 46 3.635 9.125 0.065 351 HH12 ARG 46 HH12 ARG 46 4.204 10.701 -0.331 352 HH21 ARG 46 HH21 ARG 46 4.459 10.060 -3.690 353 HH22 ARG 46 HH22 ARG 46 4.666 11.235 -2.446 354 H LYS 47 H LYS 47 -0.670 9.465 1.214 355 HA LYS 47 HA LYS 47 -0.193 12.098 0.033 356 HB2 LYS 47 HB2 LYS 47 -0.851 11.312 2.883 357 HB3 LYS 47 HB3 LYS 47 -0.700 12.961 2.296 358 HG2 LYS 47 HG2 LYS 47 -2.604 12.539 0.759 359 HG3 LYS 47 HG3 LYS 47 -2.791 10.942 1.488 360 HD2 LYS 47 HD2 LYS 47 -3.177 11.974 3.674 361 HD3 LYS 47 HD3 LYS 47 -2.948 13.573 2.970 362 HE2 LYS 47 HE2 LYS 47 -4.908 13.131 1.488 363 HE3 LYS 47 HE3 LYS 47 -5.171 11.623 2.367 364 HZ1 LYS 47 HZ1 LYS 47 -6.576 13.268 3.313 365 HZ2 LYS 47 HZ2 LYS 47 -5.309 14.382 3.451 366 HZ3 LYS 47 HZ3 LYS 47 -5.329 12.999 4.420 367 H ILE 48 H ILE 48 1.276 13.590 1.257 368 HA ILE 48 HA ILE 48 3.263 12.621 3.016 369 HB ILE 48 HB ILE 48 4.281 11.579 1.107 370 HG12 ILE 48 HG12 ILE 48 5.772 14.136 1.773 371 HG13 ILE 48 HG13 ILE 48 5.793 12.662 2.733 372 HG21 ILE 48 HG21 ILE 48 4.204 14.260 -0.280 373 HG22 ILE 48 HG22 ILE 48 3.225 12.847 -0.681 374 HG23 ILE 48 HG23 ILE 48 4.975 12.798 -0.898 375 HD11 ILE 48 HD11 ILE 48 6.876 11.479 0.894 376 HD12 ILE 48 HD12 ILE 48 7.808 12.888 1.401 377 HD13 ILE 48 HD13 ILE 48 6.844 12.954 -0.074 378 H GLY 49 H GLY 49 2.969 15.106 0.446 379 HA2 GLY 49 HA2 GLY 49 2.965 17.226 2.409 380 HA3 GLY 49 HA3 GLY 49 4.451 17.123 1.476 381 H ASP 50 H ASP 50 1.461 18.526 1.623 382 HA ASP 50 HA ASP 50 0.317 19.946 0.294 383 HB2 ASP 50 HB2 ASP 50 2.627 20.753 -0.289 384 HB3 ASP 50 HB3 ASP 50 2.583 19.700 -1.697 385 H THR 51 H THR 51 1.845 17.967 -2.269 386 HA THR 51 HA THR 51 -0.818 17.499 -3.407 387 HB THR 51 HB THR 51 0.873 18.327 -4.954 388 HG1 THR 51 HG1 THR 51 0.597 16.719 -6.555 389 HG21 THR 51 HG21 THR 51 2.811 16.951 -5.586 390 HG22 THR 51 HG22 THR 51 2.390 15.786 -4.331 391 HG23 THR 51 HG23 THR 51 2.881 17.422 -3.888 392 H SER 52 H SER 52 -1.594 15.448 -3.995 393 HA SER 52 HA SER 52 -0.150 13.070 -3.039 394 HB2 SER 52 HB2 SER 52 -2.235 12.189 -1.979 395 HB3 SER 52 HB3 SER 52 -1.603 13.625 -1.174 396 HG SER 52 HG SER 52 -3.188 14.854 -2.121 397 H VAL 53 H VAL 53 -0.785 11.093 -4.038 398 HA VAL 53 HA VAL 53 -2.488 11.389 -6.434 399 HB VAL 53 HB VAL 53 -0.221 11.623 -7.218 400 HG11 VAL 53 HG11 VAL 53 1.491 9.901 -6.854 401 HG12 VAL 53 HG12 VAL 53 0.379 9.024 -5.803 402 HG13 VAL 53 HG13 VAL 53 0.956 10.624 -5.337 403 HG21 VAL 53 HG21 VAL 53 -0.050 9.725 -8.773 404 HG22 VAL 53 HG22 VAL 53 -1.700 10.338 -8.661 405 HG23 VAL 53 HG23 VAL 53 -1.253 8.848 -7.828 406 H SER 54 H SER 54 -3.559 9.497 -7.159 407 HA SER 54 HA SER 54 -3.688 7.352 -5.128 408 HB2 SER 54 HB2 SER 54 -6.029 7.021 -5.793 409 HB3 SER 54 HB3 SER 54 -5.747 8.685 -5.283 410 HG SER 54 HG SER 54 -6.353 9.317 -7.186 411 H TYR 55 H TYR 55 -4.465 5.219 -5.925 412 HA TYR 55 HA TYR 55 -3.979 4.476 -8.674 413 HB2 TYR 55 HB2 TYR 55 -1.687 4.557 -8.094 414 HB3 TYR 55 HB3 TYR 55 -1.977 3.877 -6.500 415 HD1 TYR 55 HD1 TYR 55 -2.028 3.006 -10.133 416 HD2 TYR 55 HD2 TYR 55 -1.682 1.573 -6.132 417 HE1 TYR 55 HE1 TYR 55 -1.404 0.781 -10.982 418 HE2 TYR 55 HE2 TYR 55 -1.060 -0.648 -6.974 419 HH TYR 55 HH TYR 55 -0.172 -1.225 -10.180 420 H LYS 56 H LYS 56 -5.131 2.650 -9.167 421 HA LYS 56 HA LYS 56 -6.344 1.117 -6.990 422 HB2 LYS 56 HB2 LYS 56 -7.770 1.799 -8.888 423 HB3 LYS 56 HB3 LYS 56 -6.738 0.892 -9.988 424 HG2 LYS 56 HG2 LYS 56 -7.325 -1.186 -8.749 425 HG3 LYS 56 HG3 LYS 56 -8.447 -0.239 -7.772 426 HD2 LYS 56 HD2 LYS 56 -9.676 -1.345 -9.528 427 HD3 LYS 56 HD3 LYS 56 -9.657 0.389 -9.853 428 HE2 LYS 56 HE2 LYS 56 -9.273 -0.902 -11.895 429 HE3 LYS 56 HE3 LYS 56 -7.863 0.072 -11.487 430 HZ1 LYS 56 HZ1 LYS 56 -8.121 -2.798 -10.774 431 HZ2 LYS 56 HZ2 LYS 56 -6.733 -1.838 -10.683 432 HZ3 LYS 56 HZ3 LYS 56 -7.374 -2.260 -12.189 433 H TYR 57 H TYR 57 -5.798 -0.960 -6.462 434 HA TYR 57 HA TYR 57 -3.279 -1.988 -7.299 435 HB2 TYR 57 HB2 TYR 57 -5.508 -3.241 -5.680 436 HB3 TYR 57 HB3 TYR 57 -3.949 -4.012 -5.951 437 HD1 TYR 57 HD1 TYR 57 -5.506 -0.941 -4.514 438 HD2 TYR 57 HD2 TYR 57 -2.126 -3.536 -4.541 439 HE1 TYR 57 HE1 TYR 57 -4.587 0.244 -2.568 440 HE2 TYR 57 HE2 TYR 57 -1.198 -2.353 -2.594 441 HH TYR 57 HH TYR 57 -3.021 -0.163 -0.732 442 H THR 58 H THR 58 -2.753 -3.811 -8.524 443 HA THR 58 HA THR 58 -4.574 -4.419 -10.682 444 HB THR 58 HB THR 58 -2.291 -4.164 -11.329 445 HG1 THR 58 HG1 THR 58 -2.957 -5.722 -12.646 446 HG21 THR 58 HG21 THR 58 -1.601 -6.363 -9.369 447 HG22 THR 58 HG22 THR 58 -1.202 -4.654 -9.190 448 HG23 THR 58 HG23 THR 58 -0.477 -5.598 -10.492 449 H SER 59 H SER 59 -5.927 -6.085 -10.819 450 HA SER 59 HA SER 59 -5.929 -8.162 -8.782 451 HB2 SER 59 HB2 SER 59 -7.805 -7.739 -11.133 452 HB3 SER 59 HB3 SER 59 -8.042 -8.895 -9.822 453 HG SER 59 HG SER 59 -9.108 -7.263 -8.998 454 H ARG 60 H ARG 60 -3.941 -9.232 -9.366 455 HA ARG 60 HA ARG 60 -4.254 -11.053 -11.668 456 HB2 ARG 60 HB2 ARG 60 -1.849 -10.790 -12.191 457 HB3 ARG 60 HB3 ARG 60 -2.759 -9.300 -12.409 458 HG2 ARG 60 HG2 ARG 60 -1.910 -8.419 -10.326 459 HG3 ARG 60 HG3 ARG 60 -1.090 -9.944 -9.977 460 HD2 ARG 60 HD2 ARG 60 0.463 -8.244 -10.836 461 HD3 ARG 60 HD3 ARG 60 0.356 -9.637 -11.911 462 HE ARG 60 HE ARG 60 -1.389 -7.431 -12.588 463 HH11 ARG 60 HH11 ARG 60 1.719 -8.844 -13.028 464 HH12 ARG 60 HH12 ARG 60 1.973 -8.084 -14.560 465 HH21 ARG 60 HH21 ARG 60 -1.045 -6.446 -14.555 466 HH22 ARG 60 HH22 ARG 60 0.435 -6.731 -15.406 467 H TYR 61 H TYR 61 -4.300 -11.193 -8.529 468 HA TYR 61 HA TYR 61 -3.106 -13.787 -8.322 469 HB2 TYR 61 HB2 TYR 61 -1.360 -13.297 -6.708 470 HB3 TYR 61 HB3 TYR 61 -1.078 -12.338 -8.157 471 HD1 TYR 61 HD1 TYR 61 -1.837 -9.882 -8.127 472 HD2 TYR 61 HD2 TYR 61 -1.532 -12.252 -4.600 473 HE1 TYR 61 HE1 TYR 61 -1.787 -7.837 -6.763 474 HE2 TYR 61 HE2 TYR 61 -1.483 -10.213 -3.230 475 HH TYR 61 HH TYR 61 -0.902 -7.821 -3.500 476 H VAL 62 H VAL 62 -3.500 -14.821 -6.271 477 HA VAL 62 HA VAL 62 -5.532 -13.489 -4.595 478 HB VAL 62 HB VAL 62 -4.788 -16.428 -4.699 479 HG11 VAL 62 HG11 VAL 62 -6.857 -16.757 -3.386 480 HG12 VAL 62 HG12 VAL 62 -7.043 -15.006 -3.270 481 HG13 VAL 62 HG13 VAL 62 -5.656 -15.798 -2.519 482 HG21 VAL 62 HG21 VAL 62 -7.198 -15.013 -5.855 483 HG22 VAL 62 HG22 VAL 62 -6.912 -16.753 -5.867 484 HG23 VAL 62 HG23 VAL 62 -5.852 -15.679 -6.780 485 H LEU 63 H LEU 63 -4.783 -12.578 -2.774 486 HA LEU 63 HA LEU 63 -2.093 -13.091 -1.861 487 HB2 LEU 63 HB2 LEU 63 -3.551 -10.857 -1.970 488 HB3 LEU 63 HB3 LEU 63 -3.973 -11.338 -0.340 489 HG LEU 63 HG LEU 63 -1.164 -10.811 -1.347 490 HD11 LEU 63 HD11 LEU 63 -2.483 -8.773 -1.192 491 HD12 LEU 63 HD12 LEU 63 -1.258 -8.821 0.074 492 HD13 LEU 63 HD13 LEU 63 -2.942 -9.175 0.463 493 HD21 LEU 63 HD21 LEU 63 -1.164 -12.490 0.420 494 HD22 LEU 63 HD22 LEU 63 -2.147 -11.440 1.440 495 HD23 LEU 63 HD23 LEU 63 -0.503 -10.967 1.011 496 H LYS 64 H LYS 64 -1.569 -14.630 -0.421 497 HA LYS 64 HA LYS 64 -3.467 -16.182 0.978 498 HB2 LYS 64 HB2 LYS 64 -0.472 -15.955 1.179 499 HB3 LYS 64 HB3 LYS 64 -1.382 -17.021 2.241 500 HG2 LYS 64 HG2 LYS 64 -2.279 -18.192 0.268 501 HG3 LYS 64 HG3 LYS 64 -1.302 -17.152 -0.772 502 HD2 LYS 64 HD2 LYS 64 0.736 -18.035 0.159 503 HD3 LYS 64 HD3 LYS 64 -0.157 -18.930 1.389 504 HE2 LYS 64 HE2 LYS 64 0.592 -20.404 -0.411 505 HE3 LYS 64 HE3 LYS 64 -1.167 -20.325 -0.342 506 HZ1 LYS 64 HZ1 LYS 64 0.591 -18.903 -2.272 507 HZ2 LYS 64 HZ2 LYS 64 -1.089 -18.709 -2.175 508 HZ3 LYS 64 HZ3 LYS 64 -0.437 -20.205 -2.608 509 H ALA 65 H ALA 65 -3.839 -16.434 3.220 510 HA ALA 65 HA ALA 65 -4.224 -14.042 4.666 511 HB1 ALA 65 HB1 ALA 65 -4.211 -16.875 5.711 512 HB2 ALA 65 HB2 ALA 65 -5.592 -16.048 4.991 513 HB3 ALA 65 HB3 ALA 65 -4.918 -15.472 6.513 514 H GLY 66 H GLY 66 -2.915 -12.890 5.962 515 HA2 GLY 66 HA2 GLY 66 -1.282 -12.475 7.574 516 HA3 GLY 66 HA3 GLY 66 -0.803 -14.162 7.500 517 H GLN 67 H GLN 67 -0.862 -13.199 4.372 518 HA GLN 67 HA GLN 67 2.028 -12.842 4.300 519 HB2 GLN 67 HB2 GLN 67 1.045 -14.426 2.745 520 HB3 GLN 67 HB3 GLN 67 -0.026 -13.190 2.105 521 HG2 GLN 67 HG2 GLN 67 1.639 -13.419 0.493 522 HG3 GLN 67 HG3 GLN 67 2.078 -11.958 1.367 523 HE21 GLN 67 HE21 GLN 67 3.175 -13.537 3.657 524 HE22 GLN 67 HE22 GLN 67 4.674 -14.155 3.088 525 H THR 68 H THR 68 3.097 -11.080 3.291 526 HA THR 68 HA THR 68 1.616 -8.553 3.435 527 HB THR 68 HB THR 68 3.842 -7.474 3.363 528 HG1 THR 68 HG1 THR 68 5.250 -8.751 2.349 529 HG21 THR 68 HG21 THR 68 2.873 -8.110 5.533 530 HG22 THR 68 HG22 THR 68 4.634 -8.213 5.553 531 HG23 THR 68 HG23 THR 68 3.666 -9.682 5.421 532 H VAL 69 H VAL 69 1.848 -6.929 1.803 533 HA VAL 69 HA VAL 69 2.785 -7.873 -0.831 534 HB VAL 69 HB VAL 69 0.357 -7.815 -0.916 535 HG11 VAL 69 HG11 VAL 69 0.560 -4.930 -0.050 536 HG12 VAL 69 HG12 VAL 69 -0.097 -6.262 0.902 537 HG13 VAL 69 HG13 VAL 69 -0.915 -5.743 -0.573 538 HG21 VAL 69 HG21 VAL 69 0.044 -6.277 -2.798 539 HG22 VAL 69 HG22 VAL 69 1.574 -7.145 -2.925 540 HG23 VAL 69 HG23 VAL 69 1.557 -5.465 -2.388 541 H THR 70 H THR 70 4.304 -6.621 -1.729 542 HA THR 70 HA THR 70 5.001 -4.123 -0.337 543 HB THR 70 HB THR 70 6.736 -5.758 -2.210 544 HG1 THR 70 HG1 THR 70 7.566 -5.874 0.330 545 HG21 THR 70 HG21 THR 70 7.407 -3.550 -0.251 546 HG22 THR 70 HG22 THR 70 7.438 -3.423 -2.009 547 HG23 THR 70 HG23 THR 70 8.578 -4.482 -1.183 548 H ILE 71 H ILE 71 4.142 -2.375 -1.305 549 HA ILE 71 HA ILE 71 3.895 -2.222 -4.211 550 HB ILE 71 HB ILE 71 3.058 -0.200 -2.115 551 HG12 ILE 71 HG12 ILE 71 1.853 -2.310 -1.789 552 HG13 ILE 71 HG13 ILE 71 0.768 -1.089 -2.445 553 HG21 ILE 71 HG21 ILE 71 3.347 0.804 -4.303 554 HG22 ILE 71 HG22 ILE 71 1.630 0.708 -3.913 555 HG23 ILE 71 HG23 ILE 71 2.345 -0.444 -5.041 556 HD11 ILE 71 HD11 ILE 71 2.089 -3.290 -4.022 557 HD12 ILE 71 HD12 ILE 71 0.967 -2.086 -4.657 558 HD13 ILE 71 HD13 ILE 71 0.414 -3.268 -3.471 559 H TRP 72 H TRP 72 5.819 -1.750 -5.167 560 HA TRP 72 HA TRP 72 7.701 0.118 -3.973 561 HB2 TRP 72 HB2 TRP 72 7.768 -1.497 -6.528 562 HB3 TRP 72 HB3 TRP 72 9.055 -0.402 -6.040 563 HD1 TRP 72 HD1 TRP 72 7.450 -3.750 -5.058 564 HE1 TRP 72 HE1 TRP 72 9.118 -5.042 -3.587 565 HE3 TRP 72 HE3 TRP 72 11.001 -0.118 -4.473 566 HZ2 TRP 72 HZ2 TRP 72 11.610 -4.585 -2.344 567 HZ3 TRP 72 HZ3 TRP 72 13.000 -0.625 -3.132 568 HH2 TRP 72 HH2 TRP 72 13.297 -2.814 -2.087 569 H ALA 73 H ALA 73 8.717 1.815 -5.424 570 HA ALA 73 HA ALA 73 6.643 3.359 -6.782 571 HB1 ALA 73 HB1 ALA 73 8.275 5.186 -6.753 572 HB2 ALA 73 HB2 ALA 73 9.496 4.091 -6.102 573 HB3 ALA 73 HB3 ALA 73 8.068 4.490 -5.146 574 H ALA 74 H ALA 74 7.327 4.526 -8.849 575 HA ALA 74 HA ALA 74 7.640 2.742 -10.927 576 HB1 ALA 74 HB1 ALA 74 8.421 5.657 -11.013 577 HB2 ALA 74 HB2 ALA 74 6.774 5.042 -11.155 578 HB3 ALA 74 HB3 ALA 74 7.972 4.639 -12.385 579 H ASN 75 H ASN 75 10.199 4.623 -9.340 580 HA ASN 75 HA ASN 75 12.214 3.437 -11.106 581 HB2 ASN 75 HB2 ASN 75 12.417 5.586 -8.985 582 HB3 ASN 75 HB3 ASN 75 13.780 5.003 -9.936 583 HD21 ASN 75 HD21 ASN 75 12.678 7.660 -9.809 584 HD22 ASN 75 HD22 ASN 75 12.226 8.070 -11.423 585 H ALA 76 H ALA 76 10.872 1.690 -9.247 586 HA ALA 76 HA ALA 76 12.426 1.135 -6.958 587 HB1 ALA 76 HB1 ALA 76 10.718 -0.761 -8.564 588 HB2 ALA 76 HB2 ALA 76 10.146 0.307 -7.280 589 HB3 ALA 76 HB3 ALA 76 11.269 -1.001 -6.905 590 H GLY 77 H GLY 77 12.559 -0.257 -10.233 591 HA2 GLY 77 HA2 GLY 77 14.621 -0.899 -11.260 592 HA3 GLY 77 HA3 GLY 77 15.296 -1.191 -9.667 593 H VAL 78 H VAL 78 13.145 -2.760 -8.643 594 HA VAL 78 HA VAL 78 13.850 -5.332 -9.620 595 HB VAL 78 HB VAL 78 12.110 -6.191 -8.083 596 HG11 VAL 78 HG11 VAL 78 13.130 -5.400 -6.007 597 HG12 VAL 78 HG12 VAL 78 13.843 -4.035 -6.867 598 HG13 VAL 78 HG13 VAL 78 14.355 -5.678 -7.246 599 HG21 VAL 78 HG21 VAL 78 10.425 -4.457 -8.360 600 HG22 VAL 78 HG22 VAL 78 11.490 -3.268 -7.609 601 HG23 VAL 78 HG23 VAL 78 10.856 -4.612 -6.657 602 H THR 79 H THR 79 12.063 -7.001 -10.156 603 HA THR 79 HA THR 79 10.956 -6.371 -12.668 604 HB THR 79 HB THR 79 10.130 -8.643 -10.830 605 HG1 THR 79 HG1 THR 79 12.284 -8.329 -12.656 606 HG21 THR 79 HG21 THR 79 9.508 -9.788 -12.936 607 HG22 THR 79 HG22 THR 79 9.871 -8.312 -13.831 608 HG23 THR 79 HG23 THR 79 8.549 -8.334 -12.661 609 H ALA 80 H ALA 80 9.059 -5.486 -13.284 610 HA ALA 80 HA ALA 80 7.477 -3.977 -11.617 611 HB1 ALA 80 HB1 ALA 80 5.899 -3.779 -13.449 612 HB2 ALA 80 HB2 ALA 80 6.601 -5.196 -14.232 613 HB3 ALA 80 HB3 ALA 80 7.555 -3.722 -14.055 614 H SER 81 H SER 81 6.844 -7.330 -12.645 615 HA SER 81 HA SER 81 5.093 -7.633 -10.324 616 HB2 SER 81 HB2 SER 81 3.591 -7.011 -12.205 617 HB3 SER 81 HB3 SER 81 4.158 -8.423 -13.096 618 HG SER 81 HG SER 81 2.885 -8.497 -10.553 619 HA PRO 82 HA PRO 82 8.050 -11.150 -10.631 620 HB2 PRO 82 HB2 PRO 82 7.311 -11.215 -7.745 621 HB3 PRO 82 HB3 PRO 82 8.902 -11.312 -8.511 622 HG2 PRO 82 HG2 PRO 82 8.139 -9.070 -7.326 623 HG3 PRO 82 HG3 PRO 82 9.011 -9.011 -8.872 624 HD2 PRO 82 HD2 PRO 82 6.071 -8.683 -8.341 625 HD3 PRO 82 HD3 PRO 82 7.129 -7.750 -9.422 626 HA PRO 83 HA PRO 83 4.698 -10.131 -9.413 627 HB2 PRO 83 HB2 PRO 83 2.172 -10.802 -9.061 628 HB3 PRO 83 HB3 PRO 83 2.927 -11.044 -10.643 629 HG2 PRO 83 HG2 PRO 83 2.253 -13.048 -8.538 630 HG3 PRO 83 HG3 PRO 83 2.242 -13.223 -10.302 631 HD2 PRO 83 HD2 PRO 83 4.331 -13.962 -8.485 632 HD3 PRO 83 HD3 PRO 83 4.356 -14.052 -10.257 633 H THR 84 H THR 84 6.020 -11.669 -7.188 634 HA THR 84 HA THR 84 4.437 -11.575 -4.855 635 HB THR 84 HB THR 84 6.571 -11.452 -3.599 636 HG1 THR 84 HG1 THR 84 7.916 -10.194 -4.806 637 HG21 THR 84 HG21 THR 84 7.536 -13.554 -4.409 638 HG22 THR 84 HG22 THR 84 6.659 -13.380 -5.931 639 HG23 THR 84 HG23 THR 84 5.774 -13.627 -4.425 640 H ASP 85 H ASP 85 6.667 -9.148 -6.206 641 HA ASP 85 HA ASP 85 5.611 -7.088 -4.418 642 HB2 ASP 85 HB2 ASP 85 7.746 -6.843 -6.558 643 HB3 ASP 85 HB3 ASP 85 7.394 -5.686 -5.276 644 H LEU 86 H LEU 86 4.891 -5.004 -5.313 645 HA LEU 86 HA LEU 86 3.880 -5.138 -8.086 646 HB2 LEU 86 HB2 LEU 86 2.395 -4.030 -5.692 647 HB3 LEU 86 HB3 LEU 86 1.871 -3.868 -7.358 648 HG LEU 86 HG LEU 86 2.107 -6.461 -5.815 649 HD11 LEU 86 HD11 LEU 86 0.211 -5.078 -5.117 650 HD12 LEU 86 HD12 LEU 86 -0.325 -6.526 -5.968 651 HD13 LEU 86 HD13 LEU 86 -0.330 -4.966 -6.793 652 HD21 LEU 86 HD21 LEU 86 2.639 -6.848 -8.145 653 HD22 LEU 86 HD22 LEU 86 1.212 -5.943 -8.656 654 HD23 LEU 86 HD23 LEU 86 1.028 -7.475 -7.802 655 H ILE 87 H ILE 87 5.027 -3.664 -9.193 656 HA ILE 87 HA ILE 87 6.110 -1.329 -7.845 657 HB ILE 87 HB ILE 87 6.506 -2.416 -10.636 658 HG12 ILE 87 HG12 ILE 87 8.844 -2.670 -9.881 659 HG13 ILE 87 HG13 ILE 87 8.425 -1.981 -8.320 660 HG21 ILE 87 HG21 ILE 87 8.109 -0.605 -11.034 661 HG22 ILE 87 HG22 ILE 87 7.670 0.130 -9.493 662 HG23 ILE 87 HG23 ILE 87 6.482 0.030 -10.792 663 HD11 ILE 87 HD11 ILE 87 7.359 -4.567 -9.428 664 HD12 ILE 87 HD12 ILE 87 7.017 -3.891 -7.836 665 HD13 ILE 87 HD13 ILE 87 8.653 -4.405 -8.242 666 H TRP 88 H TRP 88 4.896 0.364 -7.566 667 HA TRP 88 HA TRP 88 2.665 1.069 -9.238 668 HB2 TRP 88 HB2 TRP 88 2.524 1.358 -6.845 669 HB3 TRP 88 HB3 TRP 88 3.962 2.364 -6.830 670 HD1 TRP 88 HD1 TRP 88 1.029 2.918 -9.274 671 HE1 TRP 88 HE1 TRP 88 -0.021 5.203 -8.739 672 HE3 TRP 88 HE3 TRP 88 3.710 4.084 -5.085 673 HZ2 TRP 88 HZ2 TRP 88 0.247 7.231 -6.800 674 HZ3 TRP 88 HZ3 TRP 88 3.252 6.213 -3.944 675 HH2 TRP 88 HH2 TRP 88 1.555 7.754 -4.786 676 H LYS 89 H LYS 89 3.297 1.761 -11.268 677 HA LYS 89 HA LYS 89 5.576 3.573 -11.507 678 HB2 LYS 89 HB2 LYS 89 4.010 2.073 -13.612 679 HB3 LYS 89 HB3 LYS 89 5.368 3.138 -13.957 680 HG2 LYS 89 HG2 LYS 89 6.739 1.670 -12.405 681 HG3 LYS 89 HG3 LYS 89 5.391 0.533 -12.449 682 HD2 LYS 89 HD2 LYS 89 6.917 1.530 -14.864 683 HD3 LYS 89 HD3 LYS 89 7.173 -0.025 -14.071 684 HE2 LYS 89 HE2 LYS 89 4.894 -0.698 -14.618 685 HE3 LYS 89 HE3 LYS 89 4.593 0.874 -15.361 686 HZ1 LYS 89 HZ1 LYS 89 6.616 -1.101 -16.275 687 HZ2 LYS 89 HZ2 LYS 89 6.296 0.392 -16.995 688 HZ3 LYS 89 HZ3 LYS 89 5.119 -0.818 -17.009 689 H ASN 90 H ASN 90 2.750 4.437 -10.624 690 HA ASN 90 HA ASN 90 2.206 6.491 -12.638 691 HB2 ASN 90 HB2 ASN 90 0.915 6.035 -9.932 692 HB3 ASN 90 HB3 ASN 90 0.374 7.190 -11.145 693 HD21 ASN 90 HD21 ASN 90 -0.694 6.450 -12.962 694 HD22 ASN 90 HD22 ASN 90 -1.301 4.837 -13.084 695 H GLN 91 H GLN 91 4.307 6.089 -10.084 696 HA GLN 91 HA GLN 91 4.968 8.916 -10.015 697 HB2 GLN 91 HB2 GLN 91 3.387 8.846 -8.221 698 HB3 GLN 91 HB3 GLN 91 4.094 7.375 -7.567 699 HG2 GLN 91 HG2 GLN 91 6.047 8.550 -6.847 700 HG3 GLN 91 HG3 GLN 91 5.540 10.017 -7.689 701 HE21 GLN 91 HE21 GLN 91 4.005 11.323 -6.773 702 HE22 GLN 91 HE22 GLN 91 3.431 11.120 -5.155 703 H ASN 92 H ASN 92 7.118 9.265 -9.759 704 HA ASN 92 HA ASN 92 8.887 7.104 -10.173 705 HB2 ASN 92 HB2 ASN 92 9.524 9.955 -9.378 706 HB3 ASN 92 HB3 ASN 92 10.662 8.796 -10.068 707 HD21 ASN 92 HD21 ASN 92 10.427 8.196 -12.248 708 HD22 ASN 92 HD22 ASN 92 9.508 9.153 -13.348 709 H SER 93 H SER 93 8.657 9.296 -7.346 710 HA SER 93 HA SER 93 8.920 7.316 -5.380 711 HB2 SER 93 HB2 SER 93 11.224 7.044 -6.266 712 HB3 SER 93 HB3 SER 93 11.538 8.752 -5.965 713 HG SER 93 HG SER 93 12.326 7.429 -4.271 714 H TRP 94 H TRP 94 9.892 8.458 -3.227 715 HA TRP 94 HA TRP 94 9.250 11.303 -3.187 716 HB2 TRP 94 HB2 TRP 94 7.800 11.039 -1.145 717 HB3 TRP 94 HB3 TRP 94 7.101 10.436 -2.635 718 HD1 TRP 94 HD1 TRP 94 7.861 9.426 0.874 719 HE1 TRP 94 HE1 TRP 94 7.271 6.953 1.247 720 HE3 TRP 94 HE3 TRP 94 7.118 8.015 -3.989 721 HZ2 TRP 94 HZ2 TRP 94 6.556 4.705 -0.304 722 HZ3 TRP 94 HZ3 TRP 94 6.473 5.689 -4.455 723 HH2 TRP 94 HH2 TRP 94 6.198 4.068 -2.651 724 H GLY 95 H GLY 95 9.662 9.076 -0.430 725 HA2 GLY 95 HA2 GLY 95 11.032 9.313 1.425 726 HA3 GLY 95 HA3 GLY 95 12.232 9.027 0.184 727 H THR 96 H THR 96 10.308 11.971 1.046 728 HA THR 96 HA THR 96 12.730 13.301 1.922 729 HB THR 96 HB THR 96 13.002 13.602 -0.462 730 HG1 THR 96 HG1 THR 96 13.559 15.380 0.872 731 HG21 THR 96 HG21 THR 96 10.264 14.897 -0.447 732 HG22 THR 96 HG22 THR 96 10.663 13.339 -1.172 733 HG23 THR 96 HG23 THR 96 11.365 14.820 -1.823 734 H GLY 97 H GLY 97 12.369 14.852 3.366 735 HA2 GLY 97 HA2 GLY 97 11.466 16.713 4.350 736 HA3 GLY 97 HA3 GLY 97 10.317 16.798 3.032 737 H GLU 98 H GLU 98 8.261 15.852 3.289 738 HA GLU 98 HA GLU 98 7.454 16.111 6.059 739 HB2 GLU 98 HB2 GLU 98 5.658 15.772 3.659 740 HB3 GLU 98 HB3 GLU 98 5.238 16.442 5.229 741 HG2 GLU 98 HG2 GLU 98 6.970 17.674 3.096 742 HG3 GLU 98 HG3 GLU 98 5.413 18.244 3.694 743 H ASP 99 H ASP 99 5.350 14.813 6.587 744 HA ASP 99 HA ASP 99 6.174 12.097 6.928 745 HB2 ASP 99 HB2 ASP 99 4.019 11.920 8.205 746 HB3 ASP 99 HB3 ASP 99 5.091 13.202 8.757 747 H VAL 100 H VAL 100 5.800 10.465 5.571 748 HA VAL 100 HA VAL 100 3.817 10.658 3.479 749 HB VAL 100 HB VAL 100 5.934 9.579 2.969 750 HG11 VAL 100 HG11 VAL 100 5.169 7.486 5.009 751 HG12 VAL 100 HG12 VAL 100 6.476 8.662 5.158 752 HG13 VAL 100 HG13 VAL 100 6.557 7.409 3.920 753 HG21 VAL 100 HG21 VAL 100 5.092 7.499 1.941 754 HG22 VAL 100 HG22 VAL 100 3.997 8.860 1.691 755 HG23 VAL 100 HG23 VAL 100 3.618 7.634 2.902 756 H LYS 101 H LYS 101 1.802 9.847 3.488 757 HA LYS 101 HA LYS 101 0.991 7.941 5.573 758 HB2 LYS 101 HB2 LYS 101 0.579 10.152 6.510 759 HB3 LYS 101 HB3 LYS 101 -0.314 10.626 5.073 760 HG2 LYS 101 HG2 LYS 101 -2.097 9.107 5.600 761 HG3 LYS 101 HG3 LYS 101 -1.167 8.399 6.925 762 HD2 LYS 101 HD2 LYS 101 -2.875 9.982 7.739 763 HD3 LYS 101 HD3 LYS 101 -1.241 10.509 8.142 764 HE2 LYS 101 HE2 LYS 101 -1.301 12.007 6.147 765 HE3 LYS 101 HE3 LYS 101 -2.988 11.551 5.909 766 HZ1 LYS 101 HZ1 LYS 101 -2.872 13.612 7.106 767 HZ2 LYS 101 HZ2 LYS 101 -1.850 12.936 8.273 768 HZ3 LYS 101 HZ3 LYS 101 -3.450 12.414 8.151 769 H VAL 102 H VAL 102 -0.131 6.327 4.673 770 HA VAL 102 HA VAL 102 -1.160 6.672 1.952 771 HB VAL 102 HB VAL 102 -0.721 4.156 3.578 772 HG11 VAL 102 HG11 VAL 102 -1.571 4.476 0.692 773 HG12 VAL 102 HG12 VAL 102 -2.533 3.793 2.002 774 HG13 VAL 102 HG13 VAL 102 -1.086 2.955 1.444 775 HG21 VAL 102 HG21 VAL 102 0.820 5.294 1.243 776 HG22 VAL 102 HG22 VAL 102 1.159 3.772 2.070 777 HG23 VAL 102 HG23 VAL 102 1.343 5.302 2.926 778 H ILE 103 H ILE 103 -3.239 6.505 1.365 779 HA ILE 103 HA ILE 103 -5.292 6.042 3.446 780 HB ILE 103 HB ILE 103 -5.601 7.476 0.794 781 HG12 ILE 103 HG12 ILE 103 -4.076 8.737 2.252 782 HG13 ILE 103 HG13 ILE 103 -5.610 9.578 2.071 783 HG21 ILE 103 HG21 ILE 103 -7.435 7.306 3.184 784 HG22 ILE 103 HG22 ILE 103 -7.678 6.534 1.618 785 HG23 ILE 103 HG23 ILE 103 -7.714 8.293 1.749 786 HD11 ILE 103 HD11 ILE 103 -4.745 7.950 4.449 787 HD12 ILE 103 HD12 ILE 103 -6.301 8.761 4.272 788 HD13 ILE 103 HD13 ILE 103 -4.816 9.709 4.346 789 H LEU 104 H LEU 104 -6.694 4.313 3.193 790 HA LEU 104 HA LEU 104 -6.663 2.902 0.589 791 HB2 LEU 104 HB2 LEU 104 -7.127 1.838 3.368 792 HB3 LEU 104 HB3 LEU 104 -7.459 0.906 1.922 793 HG LEU 104 HG LEU 104 -4.759 1.899 2.853 794 HD11 LEU 104 HD11 LEU 104 -4.235 -0.472 3.051 795 HD12 LEU 104 HD12 LEU 104 -5.867 -0.892 2.532 796 HD13 LEU 104 HD13 LEU 104 -5.618 -0.047 4.059 797 HD21 LEU 104 HD21 LEU 104 -3.833 0.709 0.915 798 HD22 LEU 104 HD22 LEU 104 -4.866 2.052 0.423 799 HD23 LEU 104 HD23 LEU 104 -5.466 0.395 0.325 800 H LYS 105 H LYS 105 -8.409 3.440 -0.570 801 HA LYS 105 HA LYS 105 -11.058 3.337 0.739 802 HB2 LYS 105 HB2 LYS 105 -10.161 4.652 -1.832 803 HB3 LYS 105 HB3 LYS 105 -11.856 4.427 -1.422 804 HG2 LYS 105 HG2 LYS 105 -11.482 5.762 0.646 805 HG3 LYS 105 HG3 LYS 105 -9.831 6.066 0.102 806 HD2 LYS 105 HD2 LYS 105 -10.639 7.212 -1.868 807 HD3 LYS 105 HD3 LYS 105 -12.307 6.799 -1.469 808 HE2 LYS 105 HE2 LYS 105 -11.846 9.109 -0.874 809 HE3 LYS 105 HE3 LYS 105 -12.144 8.153 0.576 810 HZ1 LYS 105 HZ1 LYS 105 -9.870 8.147 1.106 811 HZ2 LYS 105 HZ2 LYS 105 -10.225 9.743 0.670 812 HZ3 LYS 105 HZ3 LYS 105 -9.417 8.733 -0.420 813 H ASN 106 H ASN 106 -12.819 2.300 -0.549 814 HA ASN 106 HA ASN 106 -11.787 -0.068 -1.996 815 HB2 ASN 106 HB2 ASN 106 -14.407 0.096 -0.496 816 HB3 ASN 106 HB3 ASN 106 -13.606 -1.347 -1.108 817 HD21 ASN 106 HD21 ASN 106 -11.807 -2.152 0.008 818 HD22 ASN 106 HD22 ASN 106 -11.466 -1.674 1.628 819 H SER 107 H SER 107 -11.971 0.673 -4.107 820 HA SER 107 HA SER 107 -12.959 1.083 -6.120 821 HB2 SER 107 HB2 SER 107 -13.684 -1.193 -5.835 822 HB3 SER 107 HB3 SER 107 -15.043 -0.690 -4.833 823 HG SER 107 HG SER 107 -16.099 -0.674 -6.650 824 H GLN 108 H GLN 108 -15.952 1.045 -4.195 825 HA GLN 108 HA GLN 108 -17.268 2.943 -5.790 826 HB2 GLN 108 HB2 GLN 108 -17.916 2.179 -2.937 827 HB3 GLN 108 HB3 GLN 108 -19.026 2.864 -4.119 828 HG2 GLN 108 HG2 GLN 108 -18.846 0.854 -5.480 829 HG3 GLN 108 HG3 GLN 108 -17.684 0.172 -4.346 830 HE21 GLN 108 HE21 GLN 108 -18.966 -1.607 -3.907 831 HE22 GLN 108 HE22 GLN 108 -20.423 -1.504 -2.990 832 H GLY 109 H GLY 109 -15.414 3.350 -2.806 833 HA2 GLY 109 HA2 GLY 109 -14.433 5.763 -2.939 834 HA3 GLY 109 HA3 GLY 109 -16.119 6.217 -2.758 835 H GLU 110 H GLU 110 -16.522 3.848 -0.894 836 HA GLU 110 HA GLU 110 -16.115 5.151 1.552 837 HB2 GLU 110 HB2 GLU 110 -16.569 2.900 2.582 838 HB3 GLU 110 HB3 GLU 110 -17.776 3.450 1.431 839 HG2 GLU 110 HG2 GLU 110 -16.796 1.999 -0.288 840 HG3 GLU 110 HG3 GLU 110 -15.609 1.427 0.887 841 H GLU 111 H GLU 111 -14.678 4.669 3.311 842 HA GLU 111 HA GLU 111 -12.008 3.814 2.361 843 HB2 GLU 111 HB2 GLU 111 -12.295 6.284 2.584 844 HB3 GLU 111 HB3 GLU 111 -12.639 6.061 4.292 845 HG2 GLU 111 HG2 GLU 111 -10.399 5.188 4.652 846 HG3 GLU 111 HG3 GLU 111 -10.048 5.337 2.927 847 H VAL 112 H VAL 112 -10.795 2.512 3.689 848 HA VAL 112 HA VAL 112 -12.138 1.494 6.101 849 HB VAL 112 HB VAL 112 -9.852 0.307 4.504 850 HG11 VAL 112 HG11 VAL 112 -10.096 -1.680 5.925 851 HG12 VAL 112 HG12 VAL 112 -11.298 -0.837 6.902 852 HG13 VAL 112 HG13 VAL 112 -9.630 -0.269 6.876 853 HG21 VAL 112 HG21 VAL 112 -12.004 0.182 3.365 854 HG22 VAL 112 HG22 VAL 112 -12.736 -0.545 4.795 855 HG23 VAL 112 HG23 VAL 112 -11.491 -1.417 3.901 856 H ALA 113 H ALA 113 -8.697 2.047 5.189 857 HA ALA 113 HA ALA 113 -8.212 3.041 7.914 858 HB1 ALA 113 HB1 ALA 113 -7.806 0.612 7.912 859 HB2 ALA 113 HB2 ALA 113 -6.342 1.541 8.245 860 HB3 ALA 113 HB3 ALA 113 -6.595 0.831 6.649 861 H GLN 114 H GLN 114 -6.112 4.004 8.228 862 HA GLN 114 HA GLN 114 -4.498 4.696 5.917 863 HB2 GLN 114 HB2 GLN 114 -4.670 7.113 6.264 864 HB3 GLN 114 HB3 GLN 114 -6.251 6.433 5.906 865 HG2 GLN 114 HG2 GLN 114 -6.747 6.451 8.345 866 HG3 GLN 114 HG3 GLN 114 -5.213 7.280 8.608 867 HE21 GLN 114 HE21 GLN 114 -7.379 7.832 5.893 868 HE22 GLN 114 HE22 GLN 114 -7.811 9.443 6.333 869 H ARG 115 H ARG 115 -2.359 5.283 6.501 870 HA ARG 115 HA ARG 115 -1.701 5.593 9.317 871 HB2 ARG 115 HB2 ARG 115 -1.871 3.170 9.136 872 HB3 ARG 115 HB3 ARG 115 -0.773 3.165 7.765 873 HG2 ARG 115 HG2 ARG 115 1.054 3.908 9.172 874 HG3 ARG 115 HG3 ARG 115 -0.034 4.053 10.553 875 HD2 ARG 115 HD2 ARG 115 -0.442 1.646 10.498 876 HD3 ARG 115 HD3 ARG 115 0.608 1.486 9.090 877 HE ARG 115 HE ARG 115 2.327 2.532 10.781 878 HH11 ARG 115 HH11 ARG 115 -0.066 0.124 11.433 879 HH12 ARG 115 HH12 ARG 115 0.902 -0.647 12.642 880 HH21 ARG 115 HH21 ARG 115 3.536 1.522 12.331 881 HH22 ARG 115 HH22 ARG 115 2.906 0.129 13.141 882 H SER 116 H SER 116 0.222 6.562 9.703 883 HA SER 116 HA SER 116 1.955 7.225 7.402 884 HB2 SER 116 HB2 SER 116 2.689 9.170 8.829 885 HB3 SER 116 HB3 SER 116 0.983 9.219 8.383 886 HG SER 116 HG SER 116 2.040 9.237 10.824 887 H THR 117 H THR 117 4.269 7.958 8.528 888 HA THR 117 HA THR 117 5.125 5.668 10.205 889 HB THR 117 HB THR 117 7.342 5.792 9.085 890 HG1 THR 117 HG1 THR 117 7.540 7.035 7.202 891 HG21 THR 117 HG21 THR 117 5.016 5.332 7.208 892 HG22 THR 117 HG22 THR 117 5.690 4.152 8.334 893 HG23 THR 117 HG23 THR 117 6.660 4.734 6.980 894 H VAL 118 H VAL 118 7.545 6.213 10.982 895 HA VAL 118 HA VAL 118 7.285 8.434 12.798 896 HB VAL 118 HB VAL 118 9.649 6.596 12.344 897 HG11 VAL 118 HG11 VAL 118 10.274 8.623 13.540 898 HG12 VAL 118 HG12 VAL 118 10.318 7.230 14.620 899 HG13 VAL 118 HG13 VAL 118 8.967 8.364 14.696 900 HG21 VAL 118 HG21 VAL 118 8.793 5.316 14.263 901 HG22 VAL 118 HG22 VAL 118 7.658 5.315 12.913 902 HG23 VAL 118 HG23 VAL 118 7.366 6.352 14.308 903 H PHE 119 H PHE 119 8.645 10.289 12.924 904 HA PHE 119 HA PHE 119 9.521 11.304 10.369 905 HB2 PHE 119 HB2 PHE 119 9.611 12.489 13.154 906 HB3 PHE 119 HB3 PHE 119 10.130 13.349 11.708 907 HD1 PHE 119 HD1 PHE 119 7.234 11.955 13.504 908 HD2 PHE 119 HD2 PHE 119 8.536 14.233 10.144 909 HE1 PHE 119 HE1 PHE 119 4.925 12.710 13.121 910 HE2 PHE 119 HE2 PHE 119 6.227 14.987 9.759 911 HZ PHE 119 HZ PHE 119 4.419 14.227 11.247 912 H LYS 120 H LYS 120 11.517 11.198 9.511 913 HA LYS 120 HA LYS 120 13.828 10.639 11.265 914 HB2 LYS 120 HB2 LYS 120 13.399 10.138 8.315 915 HB3 LYS 120 HB3 LYS 120 14.986 10.055 9.060 916 HG2 LYS 120 HG2 LYS 120 14.165 7.838 8.888 917 HG3 LYS 120 HG3 LYS 120 14.093 8.290 10.591 918 HD2 LYS 120 HD2 LYS 120 11.695 8.748 10.373 919 HD3 LYS 120 HD3 LYS 120 11.763 8.315 8.663 920 HE2 LYS 120 HE2 LYS 120 10.884 6.480 10.043 921 HE3 LYS 120 HE3 LYS 120 12.393 6.032 9.244 922 HZ1 LYS 120 HZ1 LYS 120 12.208 6.979 12.054 923 HZ2 LYS 120 HZ2 LYS 120 13.578 6.366 11.278 924 HZ3 LYS 120 HZ3 LYS 120 12.268 5.352 11.603 925 H THR 121 H THR 121 15.467 12.096 11.432 926 HA THR 121 HA THR 121 15.092 14.730 10.323 927 HB THR 121 HB THR 121 17.458 13.674 11.901 928 HG1 THR 121 HG1 THR 121 15.342 15.245 12.963 929 HG21 THR 121 HG21 THR 121 17.971 15.753 10.722 930 HG22 THR 121 HG22 THR 121 17.833 16.053 12.455 931 HG23 THR 121 HG23 THR 121 16.514 16.505 11.375 932 H THR 122 H THR 122 15.244 14.334 8.067 933 HA THR 122 HA THR 122 17.849 14.652 6.954 934 HB THR 122 HB THR 122 18.241 12.353 7.188 935 HG1 THR 122 HG1 THR 122 17.157 12.243 4.592 936 HG21 THR 122 HG21 THR 122 16.656 10.577 6.532 937 HG22 THR 122 HG22 THR 122 15.452 11.806 6.143 938 HG23 THR 122 HG23 THR 122 16.000 11.604 7.808 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -9.777 -3.366 -30.476 2 H2 MET 1 H2 MET 1 -11.266 -3.453 -29.680 3 H3 MET 1 H3 MET 1 -10.771 -4.716 -30.686 4 HA MET 1 HA MET 1 -8.939 -5.226 -29.216 5 HB2 MET 1 HB2 MET 1 -10.127 -2.999 -27.545 6 HB3 MET 1 HB3 MET 1 -8.908 -4.123 -26.965 7 HG2 MET 1 HG2 MET 1 -7.354 -3.322 -28.677 8 HG3 MET 1 HG3 MET 1 -8.576 -2.186 -29.246 9 HE1 MET 1 HE1 MET 1 -7.736 -3.237 -25.540 10 HE2 MET 1 HE2 MET 1 -6.606 -1.965 -25.072 11 HE3 MET 1 HE3 MET 1 -6.146 -3.144 -26.300 12 H GLY 2 H GLY 2 -9.448 -5.878 -26.626 13 HA2 GLY 2 HA2 GLY 2 -11.689 -6.480 -25.430 14 HA3 GLY 2 HA3 GLY 2 -11.895 -7.508 -26.840 15 H HIS 3 H HIS 3 -9.087 -6.798 -24.758 16 HA HIS 3 HA HIS 3 -8.564 -9.688 -24.573 17 HB2 HIS 3 HB2 HIS 3 -6.759 -8.349 -25.512 18 HB3 HIS 3 HB3 HIS 3 -6.771 -7.296 -24.103 19 HD1 HIS 3 HD1 HIS 3 -5.596 -8.125 -21.995 20 HD2 HIS 3 HD2 HIS 3 -5.502 -10.862 -25.120 21 HE1 HIS 3 HE1 HIS 3 -3.937 -9.874 -21.307 22 HE2 HIS 3 HE2 HIS 3 -4.069 -11.618 -23.107 23 H HIS 4 H HIS 4 -9.790 -10.381 -22.843 24 HA HIS 4 HA HIS 4 -8.990 -9.408 -20.196 25 HB2 HIS 4 HB2 HIS 4 -11.415 -9.362 -19.479 26 HB3 HIS 4 HB3 HIS 4 -10.926 -8.070 -20.568 27 HD1 HIS 4 HD1 HIS 4 -12.934 -11.274 -20.528 28 HD2 HIS 4 HD2 HIS 4 -12.298 -7.973 -22.975 29 HE1 HIS 4 HE1 HIS 4 -14.670 -11.421 -22.324 30 HE2 HIS 4 HE2 HIS 4 -14.369 -9.340 -23.692 31 H HIS 5 H HIS 5 -10.128 -10.791 -18.434 32 HA HIS 5 HA HIS 5 -10.524 -13.577 -19.300 33 HB2 HIS 5 HB2 HIS 5 -8.720 -12.646 -17.053 34 HB3 HIS 5 HB3 HIS 5 -9.248 -14.314 -17.248 35 HD1 HIS 5 HD1 HIS 5 -8.339 -15.590 -19.383 36 HD2 HIS 5 HD2 HIS 5 -6.600 -11.883 -18.654 37 HE1 HIS 5 HE1 HIS 5 -6.252 -15.539 -20.775 38 HE2 HIS 5 HE2 HIS 5 -5.185 -13.313 -20.284 39 H HIS 6 H HIS 6 -12.476 -14.207 -18.665 40 HA HIS 6 HA HIS 6 -14.097 -12.719 -16.905 41 HB2 HIS 6 HB2 HIS 6 -15.705 -14.632 -17.105 42 HB3 HIS 6 HB3 HIS 6 -15.150 -13.975 -18.639 43 HD1 HIS 6 HD1 HIS 6 -14.597 -16.967 -16.380 44 HD2 HIS 6 HD2 HIS 6 -13.995 -15.807 -20.323 45 HE1 HIS 6 HE1 HIS 6 -13.865 -19.040 -17.584 46 HE2 HIS 6 HE2 HIS 6 -13.419 -18.300 -19.946 47 H HIS 7 H HIS 7 -13.645 -12.510 -14.798 48 HA HIS 7 HA HIS 7 -13.843 -14.914 -13.138 49 HB2 HIS 7 HB2 HIS 7 -11.383 -14.354 -13.446 50 HB3 HIS 7 HB3 HIS 7 -11.694 -12.836 -12.615 51 HD1 HIS 7 HD1 HIS 7 -10.557 -16.166 -11.974 52 HD2 HIS 7 HD2 HIS 7 -12.838 -13.401 -9.861 53 HE1 HIS 7 HE1 HIS 7 -10.493 -16.925 -9.584 54 HE2 HIS 7 HE2 HIS 7 -12.045 -15.365 -8.371 55 H HIS 8 H HIS 8 -15.028 -14.565 -11.274 56 HA HIS 8 HA HIS 8 -15.650 -11.801 -10.497 57 HB2 HIS 8 HB2 HIS 8 -18.055 -12.257 -10.420 58 HB3 HIS 8 HB3 HIS 8 -17.434 -12.485 -12.051 59 HD1 HIS 8 HD1 HIS 8 -19.020 -14.295 -9.222 60 HD2 HIS 8 HD2 HIS 8 -17.426 -15.179 -12.956 61 HE1 HIS 8 HE1 HIS 8 -19.787 -16.622 -9.744 62 HE2 HIS 8 HE2 HIS 8 -18.799 -17.151 -11.993 63 H SER 9 H SER 9 -16.099 -11.500 -8.336 64 HA SER 9 HA SER 9 -16.872 -13.481 -6.494 65 HB2 SER 9 HB2 SER 9 -14.742 -13.810 -5.247 66 HB3 SER 9 HB3 SER 9 -14.684 -14.493 -6.870 67 HG SER 9 HG SER 9 -13.747 -11.874 -6.358 68 H HIS 10 H HIS 10 -18.016 -12.142 -5.191 69 HA HIS 10 HA HIS 10 -17.117 -9.494 -4.519 70 HB2 HIS 10 HB2 HIS 10 -19.397 -11.167 -3.431 71 HB3 HIS 10 HB3 HIS 10 -19.073 -9.508 -2.938 72 HD1 HIS 10 HD1 HIS 10 -18.953 -7.805 -5.178 73 HD2 HIS 10 HD2 HIS 10 -21.214 -11.287 -5.441 74 HE1 HIS 10 HE1 HIS 10 -20.578 -7.411 -7.045 75 HE2 HIS 10 HE2 HIS 10 -21.854 -9.563 -7.266 76 H MET 11 H MET 11 -15.135 -9.684 -3.513 77 HA MET 11 HA MET 11 -14.953 -11.288 -1.061 78 HB2 MET 11 HB2 MET 11 -12.847 -9.996 -2.799 79 HB3 MET 11 HB3 MET 11 -12.486 -10.782 -1.268 80 HG2 MET 11 HG2 MET 11 -13.750 -12.117 -3.657 81 HG3 MET 11 HG3 MET 11 -12.055 -12.241 -3.183 82 HE1 MET 11 HE1 MET 11 -13.865 -14.800 -3.681 83 HE2 MET 11 HE2 MET 11 -13.439 -15.807 -2.297 84 HE3 MET 11 HE3 MET 11 -12.185 -14.909 -3.154 85 H THR 12 H THR 12 -14.288 -10.423 0.905 86 HA THR 12 HA THR 12 -15.128 -7.744 1.438 87 HB THR 12 HB THR 12 -15.457 -9.409 3.154 88 HG1 THR 12 HG1 THR 12 -15.034 -8.008 4.696 89 HG21 THR 12 HG21 THR 12 -12.443 -9.662 3.262 90 HG22 THR 12 HG22 THR 12 -13.567 -10.884 2.665 91 HG23 THR 12 HG23 THR 12 -13.579 -10.433 4.369 92 H GLY 13 H GLY 13 -11.966 -9.290 1.075 93 HA2 GLY 13 HA2 GLY 13 -9.851 -8.410 0.875 94 HA3 GLY 13 HA3 GLY 13 -10.624 -6.896 0.437 95 H ASN 14 H ASN 14 -9.935 -8.885 3.329 96 HA ASN 14 HA ASN 14 -9.878 -6.513 5.005 97 HB2 ASN 14 HB2 ASN 14 -10.866 -8.611 5.858 98 HB3 ASN 14 HB3 ASN 14 -9.304 -9.407 5.704 99 HD21 ASN 14 HD21 ASN 14 -9.362 -9.880 7.928 100 HD22 ASN 14 HD22 ASN 14 -9.018 -8.670 9.110 101 H VAL 15 H VAL 15 -8.135 -5.330 4.230 102 HA VAL 15 HA VAL 15 -5.454 -6.466 4.753 103 HB VAL 15 HB VAL 15 -6.161 -4.537 2.522 104 HG11 VAL 15 HG11 VAL 15 -3.538 -5.886 3.184 105 HG12 VAL 15 HG12 VAL 15 -3.910 -4.175 3.394 106 HG13 VAL 15 HG13 VAL 15 -3.849 -4.870 1.775 107 HG21 VAL 15 HG21 VAL 15 -5.419 -7.465 2.367 108 HG22 VAL 15 HG22 VAL 15 -5.650 -6.387 0.989 109 HG23 VAL 15 HG23 VAL 15 -7.011 -6.776 2.041 110 H CYS 16 H CYS 16 -4.021 -5.180 5.848 111 HA CYS 16 HA CYS 16 -4.907 -2.460 6.600 112 HB2 CYS 16 HB2 CYS 16 -3.372 -4.436 8.312 113 HB3 CYS 16 HB3 CYS 16 -3.793 -2.792 8.781 114 HG CYS 16 HG CYS 16 -6.070 -5.271 8.139 115 H ILE 17 H ILE 17 -3.147 -0.948 7.140 116 HA ILE 17 HA ILE 17 -0.868 -1.294 5.329 117 HB ILE 17 HB ILE 17 -1.685 1.160 6.908 118 HG12 ILE 17 HG12 ILE 17 -2.236 0.486 4.001 119 HG13 ILE 17 HG13 ILE 17 -3.434 0.444 5.291 120 HG21 ILE 17 HG21 ILE 17 0.668 1.177 6.253 121 HG22 ILE 17 HG22 ILE 17 -0.239 2.369 5.320 122 HG23 ILE 17 HG23 ILE 17 0.220 0.837 4.580 123 HD11 ILE 17 HD11 ILE 17 -3.611 2.463 3.945 124 HD12 ILE 17 HD12 ILE 17 -1.950 2.888 4.349 125 HD13 ILE 17 HD13 ILE 17 -3.183 2.843 5.611 126 H GLU 18 H GLU 18 1.157 -1.759 6.043 127 HA GLU 18 HA GLU 18 1.642 -2.007 8.887 128 HB2 GLU 18 HB2 GLU 18 2.538 -3.675 7.274 129 HB3 GLU 18 HB3 GLU 18 3.566 -2.425 6.582 130 HG2 GLU 18 HG2 GLU 18 4.559 -2.146 8.897 131 HG3 GLU 18 HG3 GLU 18 3.708 -3.625 9.339 132 H GLU 19 H GLU 19 3.791 -0.555 6.442 133 HA GLU 19 HA GLU 19 3.883 2.031 7.620 134 HB2 GLU 19 HB2 GLU 19 5.076 0.697 9.370 135 HB3 GLU 19 HB3 GLU 19 6.269 0.238 8.165 136 HG2 GLU 19 HG2 GLU 19 7.119 2.018 9.565 137 HG3 GLU 19 HG3 GLU 19 6.912 2.597 7.912 138 H ILE 20 H ILE 20 5.446 3.443 6.542 139 HA ILE 20 HA ILE 20 6.016 2.528 3.816 140 HB ILE 20 HB ILE 20 6.151 5.290 5.047 141 HG12 ILE 20 HG12 ILE 20 4.166 3.985 3.158 142 HG13 ILE 20 HG13 ILE 20 3.868 4.462 4.825 143 HG21 ILE 20 HG21 ILE 20 6.560 4.468 2.168 144 HG22 ILE 20 HG22 ILE 20 7.790 5.113 3.256 145 HG23 ILE 20 HG23 ILE 20 6.439 6.129 2.753 146 HD11 ILE 20 HD11 ILE 20 4.183 6.816 4.173 147 HD12 ILE 20 HD12 ILE 20 2.853 6.035 3.317 148 HD13 ILE 20 HD13 ILE 20 4.392 6.300 2.500 149 H ASP 21 H ASP 21 8.057 2.599 2.846 150 HA ASP 21 HA ASP 21 10.211 1.826 4.493 151 HB2 ASP 21 HB2 ASP 21 10.036 0.967 2.258 152 HB3 ASP 21 HB3 ASP 21 10.095 2.588 1.572 153 H VAL 22 H VAL 22 12.119 2.819 5.058 154 HA VAL 22 HA VAL 22 11.979 5.637 5.540 155 HB VAL 22 HB VAL 22 12.991 4.080 7.154 156 HG11 VAL 22 HG11 VAL 22 15.196 3.767 5.114 157 HG12 VAL 22 HG12 VAL 22 14.057 2.522 5.630 158 HG13 VAL 22 HG13 VAL 22 15.238 3.164 6.772 159 HG21 VAL 22 HG21 VAL 22 14.948 5.433 7.743 160 HG22 VAL 22 HG22 VAL 22 13.598 6.448 7.236 161 HG23 VAL 22 HG23 VAL 22 14.942 6.153 6.132 162 H ASP 23 H ASP 23 13.595 3.645 3.140 163 HA ASP 23 HA ASP 23 15.276 5.807 2.190 164 HB2 ASP 23 HB2 ASP 23 16.010 3.450 2.027 165 HB3 ASP 23 HB3 ASP 23 14.676 3.116 0.928 166 H GLY 24 H GLY 24 12.167 4.404 1.404 167 HA2 GLY 24 HA2 GLY 24 10.451 5.686 0.346 168 HA3 GLY 24 HA3 GLY 24 11.687 6.610 -0.489 169 H LYS 25 H LYS 25 12.197 3.215 -0.463 170 HA LYS 25 HA LYS 25 11.814 3.056 -3.316 171 HB2 LYS 25 HB2 LYS 25 12.621 0.992 -1.262 172 HB3 LYS 25 HB3 LYS 25 12.433 0.617 -2.971 173 HG2 LYS 25 HG2 LYS 25 14.159 2.344 -3.475 174 HG3 LYS 25 HG3 LYS 25 14.413 2.529 -1.736 175 HD2 LYS 25 HD2 LYS 25 15.074 0.197 -1.554 176 HD3 LYS 25 HD3 LYS 25 14.719 -0.064 -3.262 177 HE2 LYS 25 HE2 LYS 25 17.116 0.186 -2.911 178 HE3 LYS 25 HE3 LYS 25 16.489 1.526 -3.869 179 HZ1 LYS 25 HZ1 LYS 25 18.050 2.229 -2.134 180 HZ2 LYS 25 HZ2 LYS 25 17.002 1.636 -0.952 181 HZ3 LYS 25 HZ3 LYS 25 16.521 2.922 -1.934 182 H PHE 26 H PHE 26 9.914 2.110 -0.509 183 HA PHE 26 HA PHE 26 7.762 1.211 -2.221 184 HB2 PHE 26 HB2 PHE 26 7.650 -1.069 -1.276 185 HB3 PHE 26 HB3 PHE 26 9.124 -0.793 -2.196 186 HD1 PHE 26 HD1 PHE 26 7.724 -1.317 1.164 187 HD2 PHE 26 HD2 PHE 26 11.285 -0.772 -1.111 188 HE1 PHE 26 HE1 PHE 26 9.062 -2.074 3.085 189 HE2 PHE 26 HE2 PHE 26 12.625 -1.525 0.808 190 HZ PHE 26 HZ PHE 26 11.516 -2.176 2.907 191 H ILE 27 H ILE 27 5.842 0.506 -1.064 192 HA ILE 27 HA ILE 27 5.692 1.263 1.794 193 HB ILE 27 HB ILE 27 3.486 1.565 -0.276 194 HG12 ILE 27 HG12 ILE 27 5.057 3.707 1.192 195 HG13 ILE 27 HG13 ILE 27 5.274 3.271 -0.499 196 HG21 ILE 27 HG21 ILE 27 3.520 2.277 2.663 197 HG22 ILE 27 HG22 ILE 27 2.603 0.970 1.913 198 HG23 ILE 27 HG23 ILE 27 2.217 2.649 1.534 199 HD11 ILE 27 HD11 ILE 27 2.782 4.438 0.718 200 HD12 ILE 27 HD12 ILE 27 2.991 3.994 -0.977 201 HD13 ILE 27 HD13 ILE 27 3.960 5.290 -0.277 202 H ARG 28 H ARG 28 5.453 -0.638 2.931 203 HA ARG 28 HA ARG 28 4.341 -2.948 1.519 204 HB2 ARG 28 HB2 ARG 28 6.509 -3.183 2.672 205 HB3 ARG 28 HB3 ARG 28 5.719 -2.850 4.210 206 HG2 ARG 28 HG2 ARG 28 4.459 -4.874 4.090 207 HG3 ARG 28 HG3 ARG 28 4.960 -5.160 2.423 208 HD2 ARG 28 HD2 ARG 28 6.191 -6.601 3.955 209 HD3 ARG 28 HD3 ARG 28 7.274 -5.453 3.168 210 HE ARG 28 HE ARG 28 6.303 -4.617 5.755 211 HH11 ARG 28 HH11 ARG 28 8.743 -6.366 4.073 212 HH12 ARG 28 HH12 ARG 28 9.914 -6.156 5.324 213 HH21 ARG 28 HH21 ARG 28 7.810 -4.352 7.353 214 HH22 ARG 28 HH22 ARG 28 9.389 -5.039 7.167 215 H LEU 29 H LEU 29 2.264 -3.387 1.667 216 HA LEU 29 HA LEU 29 0.785 -2.789 4.139 217 HB2 LEU 29 HB2 LEU 29 -0.155 -3.590 1.375 218 HB3 LEU 29 HB3 LEU 29 -1.225 -3.449 2.756 219 HG LEU 29 HG LEU 29 -0.589 -1.026 2.922 220 HD11 LEU 29 HD11 LEU 29 0.445 0.046 0.982 221 HD12 LEU 29 HD12 LEU 29 0.740 -1.537 0.262 222 HD13 LEU 29 HD13 LEU 29 1.545 -1.086 1.765 223 HD21 LEU 29 HD21 LEU 29 -2.663 -1.715 1.857 224 HD22 LEU 29 HD22 LEU 29 -1.825 -1.925 0.319 225 HD23 LEU 29 HD23 LEU 29 -1.977 -0.318 1.031 226 H LYS 30 H LYS 30 -0.650 -4.478 5.022 227 HA LYS 30 HA LYS 30 0.343 -7.207 4.474 228 HB2 LYS 30 HB2 LYS 30 1.210 -6.338 6.628 229 HB3 LYS 30 HB3 LYS 30 -0.442 -6.094 7.180 230 HG2 LYS 30 HG2 LYS 30 -0.862 -8.492 7.050 231 HG3 LYS 30 HG3 LYS 30 0.769 -8.757 6.437 232 HD2 LYS 30 HD2 LYS 30 1.686 -7.843 8.544 233 HD3 LYS 30 HD3 LYS 30 0.042 -7.651 9.154 234 HE2 LYS 30 HE2 LYS 30 1.337 -10.266 8.363 235 HE3 LYS 30 HE3 LYS 30 1.098 -9.695 10.013 236 HZ1 LYS 30 HZ1 LYS 30 -0.613 -11.266 9.355 237 HZ2 LYS 30 HZ2 LYS 30 -1.062 -10.272 8.065 238 HZ3 LYS 30 HZ3 LYS 30 -1.280 -9.744 9.654 239 H ASN 31 H ASN 31 -1.224 -8.416 3.617 240 HA ASN 31 HA ASN 31 -3.999 -7.824 3.853 241 HB2 ASN 31 HB2 ASN 31 -3.239 -8.959 1.884 242 HB3 ASN 31 HB3 ASN 31 -2.504 -10.247 2.833 243 HD21 ASN 31 HD21 ASN 31 -3.768 -11.851 3.645 244 HD22 ASN 31 HD22 ASN 31 -5.409 -12.092 3.173 245 H THR 32 H THR 32 -5.084 -8.025 5.698 246 HA THR 32 HA THR 32 -4.172 -9.941 7.725 247 HB THR 32 HB THR 32 -5.619 -8.636 9.287 248 HG1 THR 32 HG1 THR 32 -7.155 -7.641 8.115 249 HG21 THR 32 HG21 THR 32 -3.655 -6.953 7.715 250 HG22 THR 32 HG22 THR 32 -3.237 -8.070 9.014 251 HG23 THR 32 HG23 THR 32 -4.210 -6.639 9.359 252 H SER 33 H SER 33 -6.039 -10.493 5.297 253 HA SER 33 HA SER 33 -8.569 -11.182 6.434 254 HB2 SER 33 HB2 SER 33 -9.044 -12.290 4.328 255 HB3 SER 33 HB3 SER 33 -8.242 -10.755 3.999 256 HG SER 33 HG SER 33 -7.530 -12.919 2.962 257 H GLU 34 H GLU 34 -9.441 -13.392 6.489 258 HA GLU 34 HA GLU 34 -7.659 -15.125 7.993 259 HB2 GLU 34 HB2 GLU 34 -10.602 -15.411 7.334 260 HB3 GLU 34 HB3 GLU 34 -9.715 -16.352 8.530 261 HG2 GLU 34 HG2 GLU 34 -9.468 -14.507 9.965 262 HG3 GLU 34 HG3 GLU 34 -9.889 -13.359 8.697 263 H GLN 35 H GLN 35 -8.900 -14.901 4.812 264 HA GLN 35 HA GLN 35 -7.613 -17.432 4.077 265 HB2 GLN 35 HB2 GLN 35 -10.046 -17.878 4.385 266 HB3 GLN 35 HB3 GLN 35 -10.401 -16.650 3.178 267 HG2 GLN 35 HG2 GLN 35 -9.202 -17.974 1.491 268 HG3 GLN 35 HG3 GLN 35 -8.875 -19.209 2.705 269 HE21 GLN 35 HE21 GLN 35 -10.347 -19.416 0.197 270 HE22 GLN 35 HE22 GLN 35 -11.934 -19.954 0.610 271 H ASP 36 H ASP 36 -7.114 -17.560 1.762 272 HA ASP 36 HA ASP 36 -5.833 -15.389 0.700 273 HB2 ASP 36 HB2 ASP 36 -7.082 -17.728 -0.760 274 HB3 ASP 36 HB3 ASP 36 -5.935 -16.606 -1.484 275 H GLN 37 H GLN 37 -6.299 -13.670 -0.581 276 HA GLN 37 HA GLN 37 -9.050 -13.314 -1.590 277 HB2 GLN 37 HB2 GLN 37 -7.459 -11.330 0.058 278 HB3 GLN 37 HB3 GLN 37 -8.906 -10.901 -0.842 279 HG2 GLN 37 HG2 GLN 37 -8.884 -13.039 1.276 280 HG3 GLN 37 HG3 GLN 37 -9.192 -11.341 1.632 281 HE21 GLN 37 HE21 GLN 37 -10.407 -14.193 0.018 282 HE22 GLN 37 HE22 GLN 37 -12.029 -13.622 -0.166 283 HA PRO 38 HA PRO 38 -6.730 -11.984 -5.233 284 HB2 PRO 38 HB2 PRO 38 -8.829 -11.222 -6.766 285 HB3 PRO 38 HB3 PRO 38 -8.460 -12.922 -6.445 286 HG2 PRO 38 HG2 PRO 38 -10.475 -11.142 -5.103 287 HG3 PRO 38 HG3 PRO 38 -10.678 -12.803 -5.694 288 HD2 PRO 38 HD2 PRO 38 -10.227 -12.236 -3.083 289 HD3 PRO 38 HD3 PRO 38 -9.626 -13.722 -3.848 290 H MET 39 H MET 39 -7.532 -10.065 -2.907 291 HA MET 39 HA MET 39 -7.272 -7.893 -2.373 292 HB2 MET 39 HB2 MET 39 -5.218 -8.209 -3.818 293 HB3 MET 39 HB3 MET 39 -6.124 -7.489 -5.144 294 HG2 MET 39 HG2 MET 39 -4.691 -5.844 -4.085 295 HG3 MET 39 HG3 MET 39 -6.391 -5.432 -3.842 296 HE1 MET 39 HE1 MET 39 -5.653 -3.723 -1.934 297 HE2 MET 39 HE2 MET 39 -3.959 -4.170 -2.126 298 HE3 MET 39 HE3 MET 39 -4.696 -4.182 -0.523 299 H GLY 40 H GLY 40 -7.873 -7.345 -5.851 300 HA2 GLY 40 HA2 GLY 40 -10.001 -6.707 -6.761 301 HA3 GLY 40 HA3 GLY 40 -10.483 -6.146 -5.170 302 H GLY 41 H GLY 41 -11.168 -4.282 -6.608 303 HA2 GLY 41 HA2 GLY 41 -9.037 -2.550 -7.571 304 HA3 GLY 41 HA3 GLY 41 -10.763 -2.255 -7.695 305 H TRP 42 H TRP 42 -7.951 -1.993 -5.612 306 HA TRP 42 HA TRP 42 -9.407 -0.271 -3.722 307 HB2 TRP 42 HB2 TRP 42 -6.577 -1.360 -3.663 308 HB3 TRP 42 HB3 TRP 42 -7.273 -0.333 -2.418 309 HD1 TRP 42 HD1 TRP 42 -8.686 -3.558 -4.077 310 HE1 TRP 42 HE1 TRP 42 -9.268 -5.214 -2.195 311 HE3 TRP 42 HE3 TRP 42 -7.133 -0.798 -0.079 312 HZ2 TRP 42 HZ2 TRP 42 -9.092 -5.328 0.622 313 HZ3 TRP 42 HZ3 TRP 42 -7.371 -1.746 2.177 314 HH2 TRP 42 HH2 TRP 42 -8.329 -3.964 2.523 315 H GLU 43 H GLU 43 -8.810 1.903 -3.335 316 HA GLU 43 HA GLU 43 -6.752 3.026 -5.141 317 HB2 GLU 43 HB2 GLU 43 -8.982 3.976 -5.589 318 HB3 GLU 43 HB3 GLU 43 -9.120 4.472 -3.909 319 HG2 GLU 43 HG2 GLU 43 -7.272 6.012 -4.166 320 HG3 GLU 43 HG3 GLU 43 -6.994 5.452 -5.811 321 H MET 44 H MET 44 -4.909 3.379 -4.099 322 HA MET 44 HA MET 44 -4.939 3.925 -1.215 323 HB2 MET 44 HB2 MET 44 -3.508 2.093 -1.992 324 HB3 MET 44 HB3 MET 44 -2.648 3.196 -3.057 325 HG2 MET 44 HG2 MET 44 -1.775 4.409 -1.154 326 HG3 MET 44 HG3 MET 44 -2.720 3.410 -0.052 327 HE1 MET 44 HE1 MET 44 -0.807 2.248 -3.283 328 HE2 MET 44 HE2 MET 44 0.751 1.763 -2.612 329 HE3 MET 44 HE3 MET 44 0.282 3.463 -2.614 330 H ILE 45 H ILE 45 -5.067 6.032 -0.706 331 HA ILE 45 HA ILE 45 -3.870 8.048 -2.480 332 HB ILE 45 HB ILE 45 -5.703 8.464 -0.103 333 HG12 ILE 45 HG12 ILE 45 -7.355 9.117 -1.969 334 HG13 ILE 45 HG13 ILE 45 -6.270 8.275 -3.067 335 HG21 ILE 45 HG21 ILE 45 -5.968 10.749 -0.985 336 HG22 ILE 45 HG22 ILE 45 -4.763 10.401 -2.224 337 HG23 ILE 45 HG23 ILE 45 -4.300 10.402 -0.522 338 HD11 ILE 45 HD11 ILE 45 -8.151 6.884 -2.378 339 HD12 ILE 45 HD12 ILE 45 -7.659 7.050 -0.693 340 HD13 ILE 45 HD13 ILE 45 -6.617 6.203 -1.836 341 H ARG 46 H ARG 46 -1.775 8.484 -2.016 342 HA ARG 46 HA ARG 46 -0.908 8.573 0.794 343 HB2 ARG 46 HB2 ARG 46 0.388 7.246 -0.921 344 HB3 ARG 46 HB3 ARG 46 0.803 8.768 -1.700 345 HG2 ARG 46 HG2 ARG 46 1.834 9.481 0.493 346 HG3 ARG 46 HG3 ARG 46 1.606 7.820 1.047 347 HD2 ARG 46 HD2 ARG 46 3.846 8.008 0.240 348 HD3 ARG 46 HD3 ARG 46 2.938 7.064 -0.939 349 HE ARG 46 HE ARG 46 3.200 9.925 -1.426 350 HH11 ARG 46 HH11 ARG 46 4.208 6.730 -2.210 351 HH12 ARG 46 HH12 ARG 46 4.928 7.205 -3.703 352 HH21 ARG 46 HH21 ARG 46 4.138 10.527 -3.341 353 HH22 ARG 46 HH22 ARG 46 4.862 9.328 -4.353 354 H LYS 47 H LYS 47 -1.471 10.566 1.622 355 HA LYS 47 HA LYS 47 -1.105 12.983 0.061 356 HB2 LYS 47 HB2 LYS 47 -1.886 12.663 2.970 357 HB3 LYS 47 HB3 LYS 47 -1.920 14.168 2.061 358 HG2 LYS 47 HG2 LYS 47 -3.593 13.138 0.529 359 HG3 LYS 47 HG3 LYS 47 -3.615 11.722 1.578 360 HD2 LYS 47 HD2 LYS 47 -5.456 12.964 2.296 361 HD3 LYS 47 HD3 LYS 47 -4.206 13.374 3.468 362 HE2 LYS 47 HE2 LYS 47 -5.022 15.049 1.081 363 HE3 LYS 47 HE3 LYS 47 -5.478 15.350 2.754 364 HZ1 LYS 47 HZ1 LYS 47 -3.685 16.777 2.237 365 HZ2 LYS 47 HZ2 LYS 47 -2.768 15.527 1.563 366 HZ3 LYS 47 HZ3 LYS 47 -3.051 15.567 3.227 367 H ILE 48 H ILE 48 1.124 12.970 -0.339 368 HA ILE 48 HA ILE 48 2.912 13.252 1.985 369 HB ILE 48 HB ILE 48 3.599 11.482 0.506 370 HG12 ILE 48 HG12 ILE 48 5.386 13.898 0.099 371 HG13 ILE 48 HG13 ILE 48 5.389 12.854 1.517 372 HG21 ILE 48 HG21 ILE 48 3.657 13.505 -1.734 373 HG22 ILE 48 HG22 ILE 48 2.444 12.244 -1.522 374 HG23 ILE 48 HG23 ILE 48 4.123 11.808 -1.846 375 HD11 ILE 48 HD11 ILE 48 7.231 12.323 0.054 376 HD12 ILE 48 HD12 ILE 48 6.120 12.054 -1.289 377 HD13 ILE 48 HD13 ILE 48 6.092 10.978 0.108 378 H GLY 49 H GLY 49 3.553 15.244 2.528 379 HA2 GLY 49 HA2 GLY 49 4.135 17.473 2.371 380 HA3 GLY 49 HA3 GLY 49 4.368 17.234 0.645 381 H ASP 50 H ASP 50 1.507 16.883 2.702 382 HA ASP 50 HA ASP 50 -0.535 17.855 2.719 383 HB2 ASP 50 HB2 ASP 50 0.605 20.025 2.658 384 HB3 ASP 50 HB3 ASP 50 0.681 19.949 0.901 385 H THR 51 H THR 51 0.750 18.119 -0.621 386 HA THR 51 HA THR 51 -1.698 17.632 -1.924 387 HB THR 51 HB THR 51 0.185 18.585 -3.142 388 HG1 THR 51 HG1 THR 51 -0.776 17.732 -4.814 389 HG21 THR 51 HG21 THR 51 2.100 17.216 -3.821 390 HG22 THR 51 HG22 THR 51 1.481 15.863 -2.872 391 HG23 THR 51 HG23 THR 51 2.011 17.338 -2.064 392 H SER 52 H SER 52 -2.212 15.690 -3.298 393 HA SER 52 HA SER 52 -1.510 13.195 -1.863 394 HB2 SER 52 HB2 SER 52 -3.825 12.404 -2.196 395 HB3 SER 52 HB3 SER 52 -3.771 13.871 -1.222 396 HG SER 52 HG SER 52 -4.981 13.425 -3.621 397 H VAL 53 H VAL 53 -0.824 11.563 -3.065 398 HA VAL 53 HA VAL 53 -1.579 11.459 -5.921 399 HB VAL 53 HB VAL 53 0.812 12.017 -5.683 400 HG11 VAL 53 HG11 VAL 53 1.056 9.376 -4.232 401 HG12 VAL 53 HG12 VAL 53 1.254 10.979 -3.525 402 HG13 VAL 53 HG13 VAL 53 2.400 10.404 -4.737 403 HG21 VAL 53 HG21 VAL 53 1.718 10.229 -7.118 404 HG22 VAL 53 HG22 VAL 53 0.109 10.742 -7.628 405 HG23 VAL 53 HG23 VAL 53 0.313 9.229 -6.745 406 H SER 54 H SER 54 -2.347 9.472 -6.656 407 HA SER 54 HA SER 54 -2.789 7.464 -4.526 408 HB2 SER 54 HB2 SER 54 -5.037 7.088 -5.481 409 HB3 SER 54 HB3 SER 54 -4.821 8.753 -4.942 410 HG SER 54 HG SER 54 -4.086 8.358 -7.556 411 H TYR 55 H TYR 55 -2.732 5.325 -5.009 412 HA TYR 55 HA TYR 55 -2.040 4.527 -7.771 413 HB2 TYR 55 HB2 TYR 55 -0.198 4.006 -6.342 414 HB3 TYR 55 HB3 TYR 55 -1.254 3.345 -5.100 415 HD1 TYR 55 HD1 TYR 55 -0.644 2.712 -8.758 416 HD2 TYR 55 HD2 TYR 55 -1.105 1.052 -4.862 417 HE1 TYR 55 HE1 TYR 55 -0.303 0.457 -9.679 418 HE2 TYR 55 HE2 TYR 55 -0.766 -1.203 -5.778 419 HH TYR 55 HH TYR 55 -0.990 -2.369 -7.939 420 H LYS 56 H LYS 56 -3.504 3.316 -8.828 421 HA LYS 56 HA LYS 56 -5.759 2.178 -7.355 422 HB2 LYS 56 HB2 LYS 56 -6.188 3.541 -9.389 423 HB3 LYS 56 HB3 LYS 56 -5.312 2.352 -10.348 424 HG2 LYS 56 HG2 LYS 56 -6.980 0.637 -9.591 425 HG3 LYS 56 HG3 LYS 56 -7.902 1.947 -8.853 426 HD2 LYS 56 HD2 LYS 56 -8.828 1.416 -11.032 427 HD3 LYS 56 HD3 LYS 56 -8.096 3.023 -11.079 428 HE2 LYS 56 HE2 LYS 56 -6.159 2.172 -12.218 429 HE3 LYS 56 HE3 LYS 56 -6.699 0.507 -12.001 430 HZ1 LYS 56 HZ1 LYS 56 -8.579 0.973 -13.444 431 HZ2 LYS 56 HZ2 LYS 56 -7.122 1.289 -14.243 432 HZ3 LYS 56 HZ3 LYS 56 -8.063 2.566 -13.654 433 H TYR 57 H TYR 57 -5.978 0.062 -6.951 434 HA TYR 57 HA TYR 57 -3.897 -1.778 -7.786 435 HB2 TYR 57 HB2 TYR 57 -6.269 -2.067 -5.933 436 HB3 TYR 57 HB3 TYR 57 -5.162 -3.386 -6.292 437 HD1 TYR 57 HD1 TYR 57 -5.110 0.154 -5.069 438 HD2 TYR 57 HD2 TYR 57 -3.348 -3.716 -4.886 439 HE1 TYR 57 HE1 TYR 57 -3.616 0.922 -3.275 440 HE2 TYR 57 HE2 TYR 57 -1.853 -2.959 -3.091 441 HH TYR 57 HH TYR 57 -2.271 0.024 -1.465 442 H THR 58 H THR 58 -4.511 -4.003 -8.502 443 HA THR 58 HA THR 58 -6.942 -4.166 -10.127 444 HB THR 58 HB THR 58 -5.236 -3.297 -11.679 445 HG1 THR 58 HG1 THR 58 -5.749 -4.711 -13.254 446 HG21 THR 58 HG21 THR 58 -3.702 -5.829 -11.046 447 HG22 THR 58 HG22 THR 58 -3.228 -4.196 -10.577 448 HG23 THR 58 HG23 THR 58 -3.281 -4.642 -12.283 449 H SER 59 H SER 59 -6.894 -6.503 -11.252 450 HA SER 59 HA SER 59 -6.077 -8.411 -9.144 451 HB2 SER 59 HB2 SER 59 -8.499 -8.007 -9.025 452 HB3 SER 59 HB3 SER 59 -8.667 -8.469 -10.716 453 HG SER 59 HG SER 59 -8.294 -10.043 -8.468 454 H ARG 60 H ARG 60 -4.408 -9.452 -10.034 455 HA ARG 60 HA ARG 60 -5.001 -11.150 -12.356 456 HB2 ARG 60 HB2 ARG 60 -2.719 -10.823 -13.255 457 HB3 ARG 60 HB3 ARG 60 -3.656 -9.337 -13.281 458 HG2 ARG 60 HG2 ARG 60 -2.289 -8.284 -11.812 459 HG3 ARG 60 HG3 ARG 60 -1.993 -9.748 -10.875 460 HD2 ARG 60 HD2 ARG 60 0.045 -8.967 -11.955 461 HD3 ARG 60 HD3 ARG 60 -0.439 -10.542 -12.576 462 HE ARG 60 HE ARG 60 -1.492 -8.599 -14.281 463 HH11 ARG 60 HH11 ARG 60 1.596 -9.792 -13.304 464 HH12 ARG 60 HH12 ARG 60 2.357 -9.364 -14.790 465 HH21 ARG 60 HH21 ARG 60 -0.494 -8.078 -16.205 466 HH22 ARG 60 HH22 ARG 60 1.182 -8.444 -16.430 467 H TYR 61 H TYR 61 -4.737 -11.357 -9.334 468 HA TYR 61 HA TYR 61 -3.216 -13.789 -9.155 469 HB2 TYR 61 HB2 TYR 61 -1.552 -12.983 -7.527 470 HB3 TYR 61 HB3 TYR 61 -1.379 -12.136 -9.061 471 HD1 TYR 61 HD1 TYR 61 -2.156 -9.773 -9.268 472 HD2 TYR 61 HD2 TYR 61 -2.148 -11.794 -5.518 473 HE1 TYR 61 HE1 TYR 61 -2.380 -7.618 -8.107 474 HE2 TYR 61 HE2 TYR 61 -2.370 -9.642 -4.355 475 HH TYR 61 HH TYR 61 -1.942 -7.291 -4.739 476 H VAL 62 H VAL 62 -3.139 -14.555 -6.795 477 HA VAL 62 HA VAL 62 -5.420 -13.482 -5.243 478 HB VAL 62 HB VAL 62 -4.440 -16.351 -5.271 479 HG11 VAL 62 HG11 VAL 62 -6.450 -16.813 -3.928 480 HG12 VAL 62 HG12 VAL 62 -6.811 -15.086 -3.888 481 HG13 VAL 62 HG13 VAL 62 -5.354 -15.701 -3.109 482 HG21 VAL 62 HG21 VAL 62 -6.547 -16.877 -6.412 483 HG22 VAL 62 HG22 VAL 62 -5.558 -15.773 -7.370 484 HG23 VAL 62 HG23 VAL 62 -6.949 -15.160 -6.473 485 H LEU 63 H LEU 63 -4.730 -12.450 -3.467 486 HA LEU 63 HA LEU 63 -2.042 -12.712 -2.505 487 HB2 LEU 63 HB2 LEU 63 -3.738 -10.660 -2.490 488 HB3 LEU 63 HB3 LEU 63 -4.150 -11.299 -0.913 489 HG LEU 63 HG LEU 63 -2.517 -9.487 -0.743 490 HD11 LEU 63 HD11 LEU 63 -2.448 -11.282 0.928 491 HD12 LEU 63 HD12 LEU 63 -0.861 -10.566 0.653 492 HD13 LEU 63 HD13 LEU 63 -1.253 -12.137 -0.049 493 HD21 LEU 63 HD21 LEU 63 -1.446 -9.746 -2.917 494 HD22 LEU 63 HD22 LEU 63 -0.700 -11.253 -2.382 495 HD23 LEU 63 HD23 LEU 63 -0.253 -9.726 -1.621 496 H LYS 64 H LYS 64 -1.274 -13.892 -0.852 497 HA LYS 64 HA LYS 64 -2.842 -16.051 0.154 498 HB2 LYS 64 HB2 LYS 64 -0.060 -15.187 0.978 499 HB3 LYS 64 HB3 LYS 64 -0.783 -16.770 1.234 500 HG2 LYS 64 HG2 LYS 64 -0.761 -17.253 -1.096 501 HG3 LYS 64 HG3 LYS 64 -0.345 -15.589 -1.503 502 HD2 LYS 64 HD2 LYS 64 1.823 -15.898 -0.315 503 HD3 LYS 64 HD3 LYS 64 1.403 -17.597 -0.072 504 HE2 LYS 64 HE2 LYS 64 1.326 -17.951 -2.475 505 HE3 LYS 64 HE3 LYS 64 1.635 -16.238 -2.761 506 HZ1 LYS 64 HZ1 LYS 64 3.497 -18.156 -1.464 507 HZ2 LYS 64 HZ2 LYS 64 3.798 -16.506 -1.693 508 HZ3 LYS 64 HZ3 LYS 64 3.638 -17.528 -3.028 509 H ALA 65 H ALA 65 -3.358 -16.573 2.309 510 HA ALA 65 HA ALA 65 -4.427 -14.504 3.868 511 HB1 ALA 65 HB1 ALA 65 -3.749 -17.312 4.753 512 HB2 ALA 65 HB2 ALA 65 -5.236 -16.822 3.939 513 HB3 ALA 65 HB3 ALA 65 -4.869 -16.207 5.551 514 H GLY 66 H GLY 66 -3.518 -13.101 5.235 515 HA2 GLY 66 HA2 GLY 66 -2.160 -12.252 6.895 516 HA3 GLY 66 HA3 GLY 66 -1.432 -13.839 7.063 517 H GLN 67 H GLN 67 -1.190 -13.013 3.849 518 HA GLN 67 HA GLN 67 1.657 -12.627 4.111 519 HB2 GLN 67 HB2 GLN 67 0.595 -14.068 2.358 520 HB3 GLN 67 HB3 GLN 67 -0.037 -12.616 1.601 521 HG2 GLN 67 HG2 GLN 67 1.840 -13.056 0.341 522 HG3 GLN 67 HG3 GLN 67 2.437 -11.869 1.495 523 HE21 GLN 67 HE21 GLN 67 2.555 -13.855 3.688 524 HE22 GLN 67 HE22 GLN 67 3.928 -14.826 3.343 525 H THR 68 H THR 68 2.884 -10.860 3.392 526 HA THR 68 HA THR 68 1.493 -8.280 3.422 527 HB THR 68 HB THR 68 3.719 -7.263 3.609 528 HG1 THR 68 HG1 THR 68 4.665 -9.237 2.390 529 HG21 THR 68 HG21 THR 68 2.614 -7.997 5.666 530 HG22 THR 68 HG22 THR 68 4.365 -8.163 5.797 531 HG23 THR 68 HG23 THR 68 3.361 -9.586 5.511 532 H VAL 69 H VAL 69 1.261 -6.978 1.692 533 HA VAL 69 HA VAL 69 2.576 -7.744 -0.833 534 HB VAL 69 HB VAL 69 0.169 -7.839 -1.013 535 HG11 VAL 69 HG11 VAL 69 0.116 -4.945 -0.150 536 HG12 VAL 69 HG12 VAL 69 -0.452 -6.321 0.794 537 HG13 VAL 69 HG13 VAL 69 -1.272 -5.882 -0.704 538 HG21 VAL 69 HG21 VAL 69 -0.186 -6.300 -2.896 539 HG22 VAL 69 HG22 VAL 69 1.387 -7.092 -2.980 540 HG23 VAL 69 HG23 VAL 69 1.271 -5.417 -2.440 541 H THR 70 H THR 70 4.288 -6.545 -1.308 542 HA THR 70 HA THR 70 4.605 -3.901 -0.118 543 HB THR 70 HB THR 70 6.570 -5.575 -1.707 544 HG1 THR 70 HG1 THR 70 6.415 -6.594 0.199 545 HG21 THR 70 HG21 THR 70 7.003 -3.059 -0.086 546 HG22 THR 70 HG22 THR 70 7.089 -3.184 -1.843 547 HG23 THR 70 HG23 THR 70 8.267 -4.031 -0.840 548 H ILE 71 H ILE 71 4.172 -2.079 -1.183 549 HA ILE 71 HA ILE 71 3.794 -2.075 -4.075 550 HB ILE 71 HB ILE 71 3.502 0.251 -2.157 551 HG12 ILE 71 HG12 ILE 71 2.016 -1.579 -1.459 552 HG13 ILE 71 HG13 ILE 71 1.088 -0.239 -2.124 553 HG21 ILE 71 HG21 ILE 71 2.052 1.186 -3.919 554 HG22 ILE 71 HG22 ILE 71 2.421 -0.202 -4.943 555 HG23 ILE 71 HG23 ILE 71 3.702 0.921 -4.484 556 HD11 ILE 71 HD11 ILE 71 0.810 -1.448 -4.208 557 HD12 ILE 71 HD12 ILE 71 0.227 -2.398 -2.842 558 HD13 ILE 71 HD13 ILE 71 1.782 -2.780 -3.580 559 H TRP 72 H TRP 72 5.768 -2.079 -5.103 560 HA TRP 72 HA TRP 72 7.985 -0.483 -4.112 561 HB2 TRP 72 HB2 TRP 72 7.736 -2.252 -6.559 562 HB3 TRP 72 HB3 TRP 72 9.224 -1.469 -6.037 563 HD1 TRP 72 HD1 TRP 72 6.840 -4.315 -5.075 564 HE1 TRP 72 HE1 TRP 72 8.059 -5.893 -3.449 565 HE3 TRP 72 HE3 TRP 72 11.093 -1.567 -4.305 566 HZ2 TRP 72 HZ2 TRP 72 10.494 -5.965 -2.035 567 HZ3 TRP 72 HZ3 TRP 72 12.819 -2.470 -2.796 568 HH2 TRP 72 HH2 TRP 72 12.522 -4.623 -1.687 569 H ALA 73 H ALA 73 9.186 1.005 -5.523 570 HA ALA 73 HA ALA 73 7.430 2.755 -7.045 571 HB1 ALA 73 HB1 ALA 73 9.034 3.698 -5.449 572 HB2 ALA 73 HB2 ALA 73 9.323 4.287 -7.085 573 HB3 ALA 73 HB3 ALA 73 10.368 3.041 -6.398 574 H ALA 74 H ALA 74 8.281 3.698 -9.141 575 HA ALA 74 HA ALA 74 8.378 1.829 -11.162 576 HB1 ALA 74 HB1 ALA 74 9.544 4.609 -11.289 577 HB2 ALA 74 HB2 ALA 74 7.839 4.206 -11.485 578 HB3 ALA 74 HB3 ALA 74 9.023 3.627 -12.657 579 H ASN 75 H ASN 75 11.247 3.752 -10.163 580 HA ASN 75 HA ASN 75 12.982 1.742 -11.381 581 HB2 ASN 75 HB2 ASN 75 13.464 4.501 -10.266 582 HB3 ASN 75 HB3 ASN 75 14.805 3.415 -10.625 583 HD21 ASN 75 HD21 ASN 75 12.223 5.304 -11.988 584 HD22 ASN 75 HD22 ASN 75 12.772 5.225 -13.618 585 H ALA 76 H ALA 76 11.581 0.781 -9.138 586 HA ALA 76 HA ALA 76 13.288 0.763 -6.829 587 HB1 ALA 76 HB1 ALA 76 10.885 0.370 -6.628 588 HB2 ALA 76 HB2 ALA 76 11.807 -0.991 -5.987 589 HB3 ALA 76 HB3 ALA 76 11.041 -1.113 -7.571 590 H GLY 77 H GLY 77 13.446 -0.819 -9.831 591 HA2 GLY 77 HA2 GLY 77 15.358 -2.024 -10.521 592 HA3 GLY 77 HA3 GLY 77 15.681 -2.441 -8.848 593 H VAL 78 H VAL 78 13.236 -3.543 -8.114 594 HA VAL 78 HA VAL 78 13.498 -6.190 -8.983 595 HB VAL 78 HB VAL 78 11.386 -6.640 -7.805 596 HG11 VAL 78 HG11 VAL 78 12.069 -5.849 -5.580 597 HG12 VAL 78 HG12 VAL 78 13.207 -4.727 -6.331 598 HG13 VAL 78 HG13 VAL 78 13.438 -6.467 -6.503 599 HG21 VAL 78 HG21 VAL 78 10.126 -4.823 -6.748 600 HG22 VAL 78 HG22 VAL 78 10.133 -4.653 -8.504 601 HG23 VAL 78 HG23 VAL 78 11.181 -3.634 -7.514 602 H THR 79 H THR 79 11.572 -7.512 -9.872 603 HA THR 79 HA THR 79 11.092 -6.886 -12.531 604 HB THR 79 HB THR 79 9.349 -8.629 -10.761 605 HG1 THR 79 HG1 THR 79 10.769 -10.251 -11.250 606 HG21 THR 79 HG21 THR 79 8.275 -8.116 -12.912 607 HG22 THR 79 HG22 THR 79 8.781 -9.805 -12.849 608 HG23 THR 79 HG23 THR 79 9.727 -8.637 -13.768 609 H ALA 80 H ALA 80 9.612 -5.692 -13.617 610 HA ALA 80 HA ALA 80 8.138 -3.742 -12.098 611 HB1 ALA 80 HB1 ALA 80 7.703 -2.702 -14.256 612 HB2 ALA 80 HB2 ALA 80 8.334 -4.127 -15.083 613 HB3 ALA 80 HB3 ALA 80 9.404 -3.133 -14.095 614 H SER 81 H SER 81 7.182 -6.762 -12.549 615 HA SER 81 HA SER 81 4.373 -6.048 -12.694 616 HB2 SER 81 HB2 SER 81 5.030 -6.358 -15.071 617 HB3 SER 81 HB3 SER 81 5.518 -8.010 -14.698 618 HG SER 81 HG SER 81 3.277 -7.522 -15.559 619 HA PRO 82 HA PRO 82 3.978 -9.409 -9.668 620 HB2 PRO 82 HB2 PRO 82 1.184 -9.251 -10.748 621 HB3 PRO 82 HB3 PRO 82 1.740 -9.260 -9.070 622 HG2 PRO 82 HG2 PRO 82 0.928 -6.998 -10.177 623 HG3 PRO 82 HG3 PRO 82 2.360 -7.015 -9.129 624 HD2 PRO 82 HD2 PRO 82 2.202 -6.885 -12.115 625 HD3 PRO 82 HD3 PRO 82 3.304 -6.044 -11.004 626 HA PRO 83 HA PRO 83 1.850 -11.001 -9.092 627 HB2 PRO 83 HB2 PRO 83 1.255 -13.560 -8.636 628 HB3 PRO 83 HB3 PRO 83 0.412 -12.625 -9.873 629 HG2 PRO 83 HG2 PRO 83 2.479 -14.736 -10.185 630 HG3 PRO 83 HG3 PRO 83 1.153 -14.289 -11.272 631 HD2 PRO 83 HD2 PRO 83 3.898 -13.494 -11.444 632 HD3 PRO 83 HD3 PRO 83 2.555 -12.967 -12.475 633 H THR 84 H THR 84 3.568 -10.334 -7.804 634 HA THR 84 HA THR 84 4.361 -12.305 -5.845 635 HB THR 84 HB THR 84 6.785 -11.297 -5.855 636 HG1 THR 84 HG1 THR 84 7.385 -10.259 -7.596 637 HG21 THR 84 HG21 THR 84 5.963 -13.362 -7.905 638 HG22 THR 84 HG22 THR 84 6.314 -13.666 -6.203 639 HG23 THR 84 HG23 THR 84 7.594 -13.117 -7.282 640 H ASP 85 H ASP 85 5.334 -9.039 -6.847 641 HA ASP 85 HA ASP 85 4.128 -7.951 -4.374 642 HB2 ASP 85 HB2 ASP 85 6.505 -6.868 -5.922 643 HB3 ASP 85 HB3 ASP 85 5.812 -6.163 -4.466 644 H LEU 86 H LEU 86 4.077 -5.282 -4.990 645 HA LEU 86 HA LEU 86 2.742 -5.077 -7.620 646 HB2 LEU 86 HB2 LEU 86 1.863 -3.865 -4.998 647 HB3 LEU 86 HB3 LEU 86 1.269 -3.307 -6.551 648 HG LEU 86 HG LEU 86 0.912 -6.101 -5.444 649 HD11 LEU 86 HD11 LEU 86 -1.076 -3.850 -5.749 650 HD12 LEU 86 HD12 LEU 86 -0.411 -4.452 -4.229 651 HD13 LEU 86 HD13 LEU 86 -1.440 -5.491 -5.213 652 HD21 LEU 86 HD21 LEU 86 1.044 -6.091 -7.883 653 HD22 LEU 86 HD22 LEU 86 -0.192 -4.833 -7.957 654 HD23 LEU 86 HD23 LEU 86 -0.598 -6.438 -7.345 655 H ILE 87 H ILE 87 4.027 -3.882 -8.874 656 HA ILE 87 HA ILE 87 5.736 -1.841 -7.651 657 HB ILE 87 HB ILE 87 5.842 -3.099 -10.403 658 HG12 ILE 87 HG12 ILE 87 8.072 -3.939 -9.547 659 HG13 ILE 87 HG13 ILE 87 7.623 -3.338 -7.956 660 HG21 ILE 87 HG21 ILE 87 7.648 -0.990 -9.203 661 HG22 ILE 87 HG22 ILE 87 6.547 -0.779 -10.566 662 HG23 ILE 87 HG23 ILE 87 7.944 -1.844 -10.718 663 HD11 ILE 87 HD11 ILE 87 6.147 -5.459 -9.506 664 HD12 ILE 87 HD12 ILE 87 5.752 -4.886 -7.885 665 HD13 ILE 87 HD13 ILE 87 7.266 -5.742 -8.173 666 H TRP 88 H TRP 88 4.824 0.086 -7.506 667 HA TRP 88 HA TRP 88 2.857 1.098 -9.324 668 HB2 TRP 88 HB2 TRP 88 3.006 1.674 -6.884 669 HB3 TRP 88 HB3 TRP 88 4.460 2.600 -7.233 670 HD1 TRP 88 HD1 TRP 88 1.790 2.988 -9.852 671 HE1 TRP 88 HE1 TRP 88 0.634 5.270 -9.574 672 HE3 TRP 88 HE3 TRP 88 3.732 4.329 -5.321 673 HZ2 TRP 88 HZ2 TRP 88 0.560 7.364 -7.685 674 HZ3 TRP 88 HZ3 TRP 88 3.064 6.485 -4.346 675 HH2 TRP 88 HH2 TRP 88 1.514 7.968 -5.505 676 H LYS 89 H LYS 89 3.902 0.994 -11.355 677 HA LYS 89 HA LYS 89 6.460 2.169 -11.861 678 HB2 LYS 89 HB2 LYS 89 4.308 1.281 -13.794 679 HB3 LYS 89 HB3 LYS 89 5.976 1.654 -14.222 680 HG2 LYS 89 HG2 LYS 89 6.771 -0.196 -12.877 681 HG3 LYS 89 HG3 LYS 89 5.128 -0.545 -12.341 682 HD2 LYS 89 HD2 LYS 89 5.977 -0.614 -15.238 683 HD3 LYS 89 HD3 LYS 89 6.029 -2.025 -14.183 684 HE2 LYS 89 HE2 LYS 89 3.992 -2.152 -15.405 685 HE3 LYS 89 HE3 LYS 89 3.572 -1.679 -13.762 686 HZ1 LYS 89 HZ1 LYS 89 2.392 -0.436 -15.531 687 HZ2 LYS 89 HZ2 LYS 89 3.866 0.241 -16.004 688 HZ3 LYS 89 HZ3 LYS 89 3.241 0.556 -14.463 689 H ASN 90 H ASN 90 3.727 3.775 -11.163 690 HA ASN 90 HA ASN 90 3.854 5.749 -13.311 691 HB2 ASN 90 HB2 ASN 90 1.985 5.564 -10.938 692 HB3 ASN 90 HB3 ASN 90 1.845 6.715 -12.266 693 HD21 ASN 90 HD21 ASN 90 1.213 5.960 -14.307 694 HD22 ASN 90 HD22 ASN 90 0.477 4.411 -14.519 695 H GLN 91 H GLN 91 5.224 5.345 -10.208 696 HA GLN 91 HA GLN 91 6.319 8.037 -10.336 697 HB2 GLN 91 HB2 GLN 91 4.155 8.118 -8.958 698 HB3 GLN 91 HB3 GLN 91 5.008 7.161 -7.753 699 HG2 GLN 91 HG2 GLN 91 6.708 8.937 -7.575 700 HG3 GLN 91 HG3 GLN 91 5.813 9.892 -8.754 701 HE21 GLN 91 HE21 GLN 91 5.402 11.578 -7.403 702 HE22 GLN 91 HE22 GLN 91 4.342 11.477 -6.044 703 H ASN 92 H ASN 92 8.135 8.360 -8.841 704 HA ASN 92 HA ASN 92 9.468 5.805 -8.206 705 HB2 ASN 92 HB2 ASN 92 10.624 8.489 -8.968 706 HB3 ASN 92 HB3 ASN 92 11.595 7.136 -8.392 707 HD21 ASN 92 HD21 ASN 92 9.693 8.371 -11.008 708 HD22 ASN 92 HD22 ASN 92 10.156 7.173 -12.162 709 H SER 93 H SER 93 11.547 6.675 -6.674 710 HA SER 93 HA SER 93 10.435 6.558 -4.116 711 HB2 SER 93 HB2 SER 93 13.235 7.290 -4.995 712 HB3 SER 93 HB3 SER 93 12.773 7.022 -3.313 713 HG SER 93 HG SER 93 12.014 4.906 -4.052 714 H TRP 94 H TRP 94 10.657 7.988 -2.325 715 HA TRP 94 HA TRP 94 10.565 10.859 -3.011 716 HB2 TRP 94 HB2 TRP 94 8.761 11.042 -1.237 717 HB3 TRP 94 HB3 TRP 94 8.284 10.197 -2.706 718 HD1 TRP 94 HD1 TRP 94 8.770 9.653 1.027 719 HE1 TRP 94 HE1 TRP 94 7.938 7.298 1.654 720 HE3 TRP 94 HE3 TRP 94 8.023 7.771 -3.669 721 HZ2 TRP 94 HZ2 TRP 94 7.072 4.956 0.332 722 HZ3 TRP 94 HZ3 TRP 94 7.199 5.467 -3.898 723 HH2 TRP 94 HH2 TRP 94 6.734 4.089 -1.938 724 H GLY 95 H GLY 95 10.998 12.305 -1.161 725 HA2 GLY 95 HA2 GLY 95 12.172 11.191 1.241 726 HA3 GLY 95 HA3 GLY 95 13.353 11.894 0.144 727 H THR 96 H THR 96 10.073 12.902 1.095 728 HA THR 96 HA THR 96 10.697 15.657 1.124 729 HB THR 96 HB THR 96 8.407 14.882 0.774 730 HG1 THR 96 HG1 THR 96 7.489 16.534 1.881 731 HG21 THR 96 HG21 THR 96 7.045 14.048 2.629 732 HG22 THR 96 HG22 THR 96 8.450 14.087 3.694 733 HG23 THR 96 HG23 THR 96 8.410 12.975 2.326 734 H GLY 97 H GLY 97 11.072 13.240 3.579 735 HA2 GLY 97 HA2 GLY 97 12.264 13.470 5.581 736 HA3 GLY 97 HA3 GLY 97 12.228 15.214 5.381 737 H GLU 98 H GLU 98 9.351 15.397 5.076 738 HA GLU 98 HA GLU 98 8.549 15.255 7.850 739 HB2 GLU 98 HB2 GLU 98 7.226 16.288 5.343 740 HB3 GLU 98 HB3 GLU 98 6.375 16.225 6.881 741 HG2 GLU 98 HG2 GLU 98 8.962 17.708 6.429 742 HG3 GLU 98 HG3 GLU 98 7.359 18.443 6.351 743 H ASP 99 H ASP 99 6.261 14.480 8.332 744 HA ASP 99 HA ASP 99 6.088 11.690 7.726 745 HB2 ASP 99 HB2 ASP 99 4.070 11.774 9.183 746 HB3 ASP 99 HB3 ASP 99 5.489 12.504 9.932 747 H VAL 100 H VAL 100 4.039 10.648 7.000 748 HA VAL 100 HA VAL 100 2.385 12.253 5.191 749 HB VAL 100 HB VAL 100 4.066 11.550 3.666 750 HG11 VAL 100 HG11 VAL 100 3.749 8.746 4.744 751 HG12 VAL 100 HG12 VAL 100 5.121 9.819 5.025 752 HG13 VAL 100 HG13 VAL 100 4.787 9.220 3.400 753 HG21 VAL 100 HG21 VAL 100 1.755 9.621 3.395 754 HG22 VAL 100 HG22 VAL 100 2.856 10.109 2.107 755 HG23 VAL 100 HG23 VAL 100 1.771 11.292 2.837 756 H LYS 101 H LYS 101 0.304 11.533 4.965 757 HA LYS 101 HA LYS 101 -0.439 9.102 6.464 758 HB2 LYS 101 HB2 LYS 101 -1.437 11.196 7.293 759 HB3 LYS 101 HB3 LYS 101 -2.145 11.492 5.712 760 HG2 LYS 101 HG2 LYS 101 -3.569 9.552 5.932 761 HG3 LYS 101 HG3 LYS 101 -2.785 9.104 7.447 762 HD2 LYS 101 HD2 LYS 101 -4.918 10.168 7.905 763 HD3 LYS 101 HD3 LYS 101 -3.603 11.200 8.465 764 HE2 LYS 101 HE2 LYS 101 -3.821 12.561 6.424 765 HE3 LYS 101 HE3 LYS 101 -5.150 11.532 5.888 766 HZ1 LYS 101 HZ1 LYS 101 -5.123 13.215 8.336 767 HZ2 LYS 101 HZ2 LYS 101 -6.391 12.199 7.869 768 HZ3 LYS 101 HZ3 LYS 101 -5.983 13.537 6.919 769 H VAL 102 H VAL 102 -1.300 7.407 5.432 770 HA VAL 102 HA VAL 102 -2.032 7.721 2.586 771 HB VAL 102 HB VAL 102 -0.044 6.393 2.755 772 HG11 VAL 102 HG11 VAL 102 -0.191 5.723 5.088 773 HG12 VAL 102 HG12 VAL 102 0.082 4.317 4.057 774 HG13 VAL 102 HG13 VAL 102 -1.526 4.633 4.712 775 HG21 VAL 102 HG21 VAL 102 -2.420 4.592 2.262 776 HG22 VAL 102 HG22 VAL 102 -0.769 4.282 1.731 777 HG23 VAL 102 HG23 VAL 102 -1.658 5.660 1.083 778 H ILE 103 H ILE 103 -3.918 6.874 1.832 779 HA ILE 103 HA ILE 103 -5.854 5.916 3.855 780 HB ILE 103 HB ILE 103 -6.561 7.353 1.291 781 HG12 ILE 103 HG12 ILE 103 -5.093 8.849 2.561 782 HG13 ILE 103 HG13 ILE 103 -6.747 9.444 2.583 783 HG21 ILE 103 HG21 ILE 103 -8.075 6.972 3.875 784 HG22 ILE 103 HG22 ILE 103 -8.358 6.107 2.365 785 HG23 ILE 103 HG23 ILE 103 -8.655 7.844 2.455 786 HD11 ILE 103 HD11 ILE 103 -5.668 9.705 4.735 787 HD12 ILE 103 HD12 ILE 103 -5.370 7.970 4.815 788 HD13 ILE 103 HD13 ILE 103 -7.023 8.582 4.846 789 H LEU 104 H LEU 104 -7.157 4.130 3.369 790 HA LEU 104 HA LEU 104 -6.846 2.918 0.686 791 HB2 LEU 104 HB2 LEU 104 -7.010 1.571 3.376 792 HB3 LEU 104 HB3 LEU 104 -7.347 0.713 1.886 793 HG LEU 104 HG LEU 104 -4.716 1.979 2.667 794 HD11 LEU 104 HD11 LEU 104 -3.904 -0.320 2.700 795 HD12 LEU 104 HD12 LEU 104 -5.520 -0.909 2.304 796 HD13 LEU 104 HD13 LEU 104 -5.227 -0.100 3.844 797 HD21 LEU 104 HD21 LEU 104 -5.051 2.214 0.272 798 HD22 LEU 104 HD22 LEU 104 -5.489 0.509 0.140 799 HD23 LEU 104 HD23 LEU 104 -3.847 0.968 0.595 800 H LYS 105 H LYS 105 -8.718 3.372 -0.368 801 HA LYS 105 HA LYS 105 -11.238 2.658 1.001 802 HB2 LYS 105 HB2 LYS 105 -10.738 4.671 -1.195 803 HB3 LYS 105 HB3 LYS 105 -12.352 4.106 -0.771 804 HG2 LYS 105 HG2 LYS 105 -11.964 4.902 1.556 805 HG3 LYS 105 HG3 LYS 105 -10.420 5.576 1.027 806 HD2 LYS 105 HD2 LYS 105 -11.553 7.068 -0.512 807 HD3 LYS 105 HD3 LYS 105 -13.111 6.328 -0.132 808 HE2 LYS 105 HE2 LYS 105 -12.808 8.471 1.029 809 HE3 LYS 105 HE3 LYS 105 -12.959 7.128 2.161 810 HZ1 LYS 105 HZ1 LYS 105 -10.358 8.277 1.308 811 HZ2 LYS 105 HZ2 LYS 105 -10.630 7.167 2.558 812 HZ3 LYS 105 HZ3 LYS 105 -11.181 8.759 2.704 813 H ASN 106 H ASN 106 -12.626 1.238 0.084 814 HA ASN 106 HA ASN 106 -11.423 -0.534 -1.898 815 HB2 ASN 106 HB2 ASN 106 -13.858 -0.956 -0.147 816 HB3 ASN 106 HB3 ASN 106 -12.994 -2.190 -1.059 817 HD21 ASN 106 HD21 ASN 106 -11.131 -3.038 -0.231 818 HD22 ASN 106 HD22 ASN 106 -10.545 -2.670 1.349 819 H SER 107 H SER 107 -11.924 0.031 -3.966 820 HA SER 107 HA SER 107 -13.128 0.150 -5.885 821 HB2 SER 107 HB2 SER 107 -14.054 -1.983 -5.202 822 HB3 SER 107 HB3 SER 107 -15.252 -1.183 -4.186 823 HG SER 107 HG SER 107 -15.767 -1.937 -6.488 824 H GLN 108 H GLN 108 -15.854 0.707 -3.642 825 HA GLN 108 HA GLN 108 -16.808 2.856 -5.330 826 HB2 GLN 108 HB2 GLN 108 -17.938 1.973 -2.671 827 HB3 GLN 108 HB3 GLN 108 -18.767 2.852 -3.946 828 HG2 GLN 108 HG2 GLN 108 -18.580 0.856 -5.395 829 HG3 GLN 108 HG3 GLN 108 -17.838 -0.013 -4.051 830 HE21 GLN 108 HE21 GLN 108 -19.473 -1.524 -3.899 831 HE22 GLN 108 HE22 GLN 108 -21.052 -1.137 -3.325 832 H GLY 109 H GLY 109 -16.465 2.730 -1.803 833 HA2 GLY 109 HA2 GLY 109 -14.873 5.091 -1.567 834 HA3 GLY 109 HA3 GLY 109 -16.573 5.441 -1.272 835 H GLU 110 H GLU 110 -16.990 2.712 -0.193 836 HA GLU 110 HA GLU 110 -16.702 2.842 2.498 837 HB2 GLU 110 HB2 GLU 110 -16.610 0.319 2.434 838 HB3 GLU 110 HB3 GLU 110 -17.900 1.037 1.478 839 HG2 GLU 110 HG2 GLU 110 -16.413 0.810 -0.535 840 HG3 GLU 110 HG3 GLU 110 -15.302 -0.113 0.471 841 H GLU 111 H GLU 111 -15.098 2.599 4.014 842 HA GLU 111 HA GLU 111 -12.350 2.273 2.968 843 HB2 GLU 111 HB2 GLU 111 -12.921 4.615 3.510 844 HB3 GLU 111 HB3 GLU 111 -13.305 4.137 5.157 845 HG2 GLU 111 HG2 GLU 111 -10.984 3.488 5.526 846 HG3 GLU 111 HG3 GLU 111 -10.590 3.920 3.861 847 H VAL 112 H VAL 112 -11.142 0.743 3.916 848 HA VAL 112 HA VAL 112 -12.128 -0.646 6.266 849 HB VAL 112 HB VAL 112 -10.139 -2.134 5.943 850 HG11 VAL 112 HG11 VAL 112 -12.290 -2.709 4.958 851 HG12 VAL 112 HG12 VAL 112 -10.976 -3.193 3.887 852 HG13 VAL 112 HG13 VAL 112 -11.919 -1.744 3.530 853 HG21 VAL 112 HG21 VAL 112 -8.621 -0.530 4.899 854 HG22 VAL 112 HG22 VAL 112 -9.678 -0.419 3.491 855 HG23 VAL 112 HG23 VAL 112 -8.847 -1.933 3.856 856 H ALA 113 H ALA 113 -9.467 1.545 5.474 857 HA ALA 113 HA ALA 113 -9.068 2.326 8.160 858 HB1 ALA 113 HB1 ALA 113 -6.942 0.466 7.089 859 HB2 ALA 113 HB2 ALA 113 -8.086 0.091 8.378 860 HB3 ALA 113 HB3 ALA 113 -6.877 1.352 8.613 861 H GLN 114 H GLN 114 -7.562 3.993 8.416 862 HA GLN 114 HA GLN 114 -5.843 4.699 6.148 863 HB2 GLN 114 HB2 GLN 114 -6.387 7.127 6.508 864 HB3 GLN 114 HB3 GLN 114 -7.688 6.178 5.811 865 HG2 GLN 114 HG2 GLN 114 -8.830 6.096 7.939 866 HG3 GLN 114 HG3 GLN 114 -7.488 6.930 8.724 867 HE21 GLN 114 HE21 GLN 114 -10.338 7.661 8.423 868 HE22 GLN 114 HE22 GLN 114 -10.334 9.230 7.705 869 H ARG 115 H ARG 115 -3.813 5.316 6.756 870 HA ARG 115 HA ARG 115 -3.284 5.791 9.603 871 HB2 ARG 115 HB2 ARG 115 -3.104 3.466 9.641 872 HB3 ARG 115 HB3 ARG 115 -2.411 3.389 8.029 873 HG2 ARG 115 HG2 ARG 115 -0.284 4.063 8.797 874 HG3 ARG 115 HG3 ARG 115 -0.923 4.574 10.360 875 HD2 ARG 115 HD2 ARG 115 -1.125 2.397 11.136 876 HD3 ARG 115 HD3 ARG 115 -1.210 1.717 9.512 877 HE ARG 115 HE ARG 115 1.013 1.354 9.707 878 HH11 ARG 115 HH11 ARG 115 0.348 4.215 11.543 879 HH12 ARG 115 HH12 ARG 115 2.007 4.455 11.935 880 HH21 ARG 115 HH21 ARG 115 3.099 1.669 10.253 881 HH22 ARG 115 HH22 ARG 115 3.560 3.038 11.203 882 H SER 116 H SER 116 -1.320 6.786 10.084 883 HA SER 116 HA SER 116 0.111 7.939 7.772 884 HB2 SER 116 HB2 SER 116 0.805 9.738 9.291 885 HB3 SER 116 HB3 SER 116 -0.952 9.573 9.298 886 HG SER 116 HG SER 116 0.504 9.644 11.389 887 H THR 117 H THR 117 2.475 8.474 8.257 888 HA THR 117 HA THR 117 3.837 6.065 9.063 889 HB THR 117 HB THR 117 5.918 7.323 8.515 890 HG1 THR 117 HG1 THR 117 5.244 9.431 9.030 891 HG21 THR 117 HG21 THR 117 4.751 6.063 6.771 892 HG22 THR 117 HG22 THR 117 5.484 7.523 6.104 893 HG23 THR 117 HG23 THR 117 3.749 7.470 6.411 894 H VAL 118 H VAL 118 4.921 5.637 10.911 895 HA VAL 118 HA VAL 118 4.480 7.292 13.213 896 HB VAL 118 HB VAL 118 6.245 4.848 12.893 897 HG11 VAL 118 HG11 VAL 118 6.138 4.683 15.348 898 HG12 VAL 118 HG12 VAL 118 5.277 6.221 15.410 899 HG13 VAL 118 HG13 VAL 118 6.941 6.164 14.824 900 HG21 VAL 118 HG21 VAL 118 4.389 3.639 13.961 901 HG22 VAL 118 HG22 VAL 118 3.897 4.371 12.433 902 HG23 VAL 118 HG23 VAL 118 3.428 5.119 13.960 903 H PHE 119 H PHE 119 5.833 8.712 14.231 904 HA PHE 119 HA PHE 119 8.091 9.739 12.819 905 HB2 PHE 119 HB2 PHE 119 7.113 10.319 15.628 906 HB3 PHE 119 HB3 PHE 119 8.378 11.223 14.804 907 HD1 PHE 119 HD1 PHE 119 7.800 12.502 12.721 908 HD2 PHE 119 HD2 PHE 119 4.831 10.800 15.257 909 HE1 PHE 119 HE1 PHE 119 6.104 13.983 11.731 910 HE2 PHE 119 HE2 PHE 119 3.136 12.281 14.270 911 HZ PHE 119 HZ PHE 119 3.769 13.874 12.502 912 H LYS 120 H LYS 120 9.507 7.941 12.622 913 HA LYS 120 HA LYS 120 10.815 6.994 15.070 914 HB2 LYS 120 HB2 LYS 120 10.090 5.414 13.221 915 HB3 LYS 120 HB3 LYS 120 11.350 6.119 12.220 916 HG2 LYS 120 HG2 LYS 120 13.070 5.293 13.662 917 HG3 LYS 120 HG3 LYS 120 11.890 4.801 14.880 918 HD2 LYS 120 HD2 LYS 120 10.923 3.229 13.154 919 HD3 LYS 120 HD3 LYS 120 12.313 3.609 12.137 920 HE2 LYS 120 HE2 LYS 120 12.494 2.458 14.925 921 HE3 LYS 120 HE3 LYS 120 12.561 1.504 13.447 922 HZ1 LYS 120 HZ1 LYS 120 14.769 1.927 14.225 923 HZ2 LYS 120 HZ2 LYS 120 14.493 3.593 14.281 924 HZ3 LYS 120 HZ3 LYS 120 14.531 2.798 12.795 925 H THR 121 H THR 121 12.372 8.299 15.817 926 HA THR 121 HA THR 121 13.864 10.056 14.028 927 HB THR 121 HB THR 121 14.831 11.016 16.096 928 HG1 THR 121 HG1 THR 121 14.890 9.580 17.679 929 HG21 THR 121 HG21 THR 121 12.765 11.971 17.011 930 HG22 THR 121 HG22 THR 121 11.821 10.715 16.210 931 HG23 THR 121 HG23 THR 121 12.699 11.904 15.248 932 H THR 122 H THR 122 14.317 7.009 15.496 933 HA THR 122 HA THR 122 17.029 6.891 14.402 934 HB THR 122 HB THR 122 16.475 6.022 17.256 935 HG1 THR 122 HG1 THR 122 17.390 8.408 16.170 936 HG21 THR 122 HG21 THR 122 18.158 4.641 16.143 937 HG22 THR 122 HG22 THR 122 18.914 5.674 17.356 938 HG23 THR 122 HG23 THR 122 19.037 6.088 15.645 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -9.587 -3.254 -14.668 2 H2 MET 1 H2 MET 1 -10.289 -4.360 -13.596 3 H3 MET 1 H3 MET 1 -11.240 -3.600 -14.770 4 HA MET 1 HA MET 1 -10.086 -4.705 -16.534 5 HB2 MET 1 HB2 MET 1 -8.388 -6.407 -16.059 6 HB3 MET 1 HB3 MET 1 -7.887 -4.834 -15.460 7 HG2 MET 1 HG2 MET 1 -8.455 -5.465 -13.198 8 HG3 MET 1 HG3 MET 1 -9.095 -7.008 -13.760 9 HE1 MET 1 HE1 MET 1 -7.608 -9.005 -14.651 10 HE2 MET 1 HE2 MET 1 -5.878 -8.866 -14.963 11 HE3 MET 1 HE3 MET 1 -7.025 -7.940 -15.931 12 H GLY 2 H GLY 2 -10.738 -6.796 -17.301 13 HA2 GLY 2 HA2 GLY 2 -13.140 -7.749 -16.146 14 HA3 GLY 2 HA3 GLY 2 -12.262 -8.503 -17.463 15 H HIS 3 H HIS 3 -13.375 -8.990 -14.397 16 HA HIS 3 HA HIS 3 -11.528 -11.243 -13.978 17 HB2 HIS 3 HB2 HIS 3 -11.310 -10.761 -11.602 18 HB3 HIS 3 HB3 HIS 3 -10.762 -9.374 -12.535 19 HD1 HIS 3 HD1 HIS 3 -12.829 -10.209 -9.733 20 HD2 HIS 3 HD2 HIS 3 -12.939 -7.314 -12.709 21 HE1 HIS 3 HE1 HIS 3 -14.361 -8.422 -8.875 22 HE2 HIS 3 HE2 HIS 3 -14.227 -6.594 -10.589 23 H HIS 4 H HIS 4 -12.375 -12.803 -12.326 24 HA HIS 4 HA HIS 4 -15.028 -13.572 -12.999 25 HB2 HIS 4 HB2 HIS 4 -13.156 -14.610 -10.851 26 HB3 HIS 4 HB3 HIS 4 -14.687 -15.365 -11.280 27 HD1 HIS 4 HD1 HIS 4 -14.508 -17.178 -12.939 28 HD2 HIS 4 HD2 HIS 4 -11.354 -14.498 -13.273 29 HE1 HIS 4 HE1 HIS 4 -13.008 -18.129 -14.707 30 HE2 HIS 4 HE2 HIS 4 -11.204 -16.406 -15.014 31 H HIS 5 H HIS 5 -16.479 -11.969 -12.398 32 HA HIS 5 HA HIS 5 -16.572 -10.980 -9.679 33 HB2 HIS 5 HB2 HIS 5 -17.103 -9.495 -11.564 34 HB3 HIS 5 HB3 HIS 5 -18.456 -10.527 -12.010 35 HD1 HIS 5 HD1 HIS 5 -20.532 -9.324 -11.426 36 HD2 HIS 5 HD2 HIS 5 -17.614 -8.840 -8.508 37 HE1 HIS 5 HE1 HIS 5 -21.604 -7.954 -9.621 38 HE2 HIS 5 HE2 HIS 5 -19.878 -7.820 -7.797 39 H HIS 6 H HIS 6 -17.772 -11.752 -8.056 40 HA HIS 6 HA HIS 6 -19.650 -13.959 -8.626 41 HB2 HIS 6 HB2 HIS 6 -18.264 -13.273 -6.015 42 HB3 HIS 6 HB3 HIS 6 -19.249 -14.698 -6.334 43 HD1 HIS 6 HD1 HIS 6 -18.179 -16.597 -7.709 44 HD2 HIS 6 HD2 HIS 6 -15.646 -13.366 -7.060 45 HE1 HIS 6 HE1 HIS 6 -15.894 -17.388 -8.384 46 HE2 HIS 6 HE2 HIS 6 -14.366 -15.450 -7.903 47 H HIS 7 H HIS 7 -21.394 -14.136 -6.759 48 HA HIS 7 HA HIS 7 -22.589 -11.453 -6.443 49 HB2 HIS 7 HB2 HIS 7 -24.779 -12.626 -6.236 50 HB3 HIS 7 HB3 HIS 7 -24.003 -12.851 -7.797 51 HD1 HIS 7 HD1 HIS 7 -23.060 -15.254 -8.306 52 HD2 HIS 7 HD2 HIS 7 -25.241 -14.941 -4.787 53 HE1 HIS 7 HE1 HIS 7 -23.631 -17.606 -7.662 54 HE2 HIS 7 HE2 HIS 7 -25.145 -17.366 -5.669 55 H HIS 8 H HIS 8 -23.430 -10.801 -4.461 56 HA HIS 8 HA HIS 8 -23.418 -10.525 -2.205 57 HB2 HIS 8 HB2 HIS 8 -23.065 -13.531 -2.116 58 HB3 HIS 8 HB3 HIS 8 -23.374 -12.520 -0.712 59 HD1 HIS 8 HD1 HIS 8 -25.136 -14.726 -2.743 60 HD2 HIS 8 HD2 HIS 8 -25.925 -10.875 -1.394 61 HE1 HIS 8 HE1 HIS 8 -27.623 -14.453 -2.896 62 HE2 HIS 8 HE2 HIS 8 -28.086 -12.193 -1.899 63 H SER 9 H SER 9 -20.841 -10.950 -3.946 64 HA SER 9 HA SER 9 -18.831 -11.609 -1.973 65 HB2 SER 9 HB2 SER 9 -17.213 -11.021 -3.779 66 HB3 SER 9 HB3 SER 9 -18.409 -12.211 -4.288 67 HG SER 9 HG SER 9 -18.571 -9.413 -4.817 68 H HIS 10 H HIS 10 -18.939 -10.108 -0.319 69 HA HIS 10 HA HIS 10 -17.919 -7.431 -0.953 70 HB2 HIS 10 HB2 HIS 10 -20.421 -7.913 0.693 71 HB3 HIS 10 HB3 HIS 10 -19.597 -6.363 0.546 72 HD1 HIS 10 HD1 HIS 10 -19.494 -5.408 -2.001 73 HD2 HIS 10 HD2 HIS 10 -22.324 -8.344 -1.208 74 HE1 HIS 10 HE1 HIS 10 -21.124 -5.300 -3.903 75 HE2 HIS 10 HE2 HIS 10 -22.897 -6.986 -3.334 76 H MET 11 H MET 11 -16.235 -7.000 0.313 77 HA MET 11 HA MET 11 -16.261 -7.924 3.117 78 HB2 MET 11 HB2 MET 11 -13.927 -7.995 1.190 79 HB3 MET 11 HB3 MET 11 -13.755 -8.186 2.931 80 HG2 MET 11 HG2 MET 11 -15.337 -9.988 1.102 81 HG3 MET 11 HG3 MET 11 -13.752 -10.339 1.794 82 HE1 MET 11 HE1 MET 11 -16.202 -12.329 2.051 83 HE2 MET 11 HE2 MET 11 -16.105 -12.793 3.749 84 HE3 MET 11 HE3 MET 11 -14.633 -12.650 2.789 85 H THR 12 H THR 12 -15.363 -6.511 4.634 86 HA THR 12 HA THR 12 -15.577 -3.742 3.935 87 HB THR 12 HB THR 12 -15.084 -3.300 6.324 88 HG1 THR 12 HG1 THR 12 -14.481 -4.907 7.680 89 HG21 THR 12 HG21 THR 12 -17.080 -5.526 5.851 90 HG22 THR 12 HG22 THR 12 -17.384 -3.798 5.662 91 HG23 THR 12 HG23 THR 12 -17.046 -4.466 7.259 92 H GLY 13 H GLY 13 -12.892 -5.206 5.795 93 HA2 GLY 13 HA2 GLY 13 -10.911 -4.156 3.946 94 HA3 GLY 13 HA3 GLY 13 -10.988 -3.312 5.484 95 H ASN 14 H ASN 14 -9.838 -6.084 3.820 96 HA ASN 14 HA ASN 14 -8.913 -7.319 6.328 97 HB2 ASN 14 HB2 ASN 14 -8.385 -9.303 4.947 98 HB3 ASN 14 HB3 ASN 14 -10.081 -8.847 4.842 99 HD21 ASN 14 HD21 ASN 14 -8.313 -10.367 3.005 100 HD22 ASN 14 HD22 ASN 14 -8.460 -9.559 1.485 101 H VAL 15 H VAL 15 -7.677 -6.144 3.200 102 HA VAL 15 HA VAL 15 -4.929 -6.677 3.974 103 HB VAL 15 HB VAL 15 -5.983 -5.242 1.523 104 HG11 VAL 15 HG11 VAL 15 -3.250 -6.402 2.098 105 HG12 VAL 15 HG12 VAL 15 -3.651 -4.689 1.974 106 HG13 VAL 15 HG13 VAL 15 -3.773 -5.729 0.556 107 HG21 VAL 15 HG21 VAL 15 -5.177 -8.133 1.891 108 HG22 VAL 15 HG22 VAL 15 -5.609 -7.375 0.358 109 HG23 VAL 15 HG23 VAL 15 -6.816 -7.530 1.633 110 H CYS 16 H CYS 16 -4.171 -5.356 5.548 111 HA CYS 16 HA CYS 16 -4.422 -2.432 5.141 112 HB2 CYS 16 HB2 CYS 16 -5.705 -3.146 7.107 113 HB3 CYS 16 HB3 CYS 16 -4.272 -3.924 7.774 114 HG CYS 16 HG CYS 16 -4.040 -1.818 9.292 115 H ILE 17 H ILE 17 -2.615 -1.132 5.713 116 HA ILE 17 HA ILE 17 -0.127 -2.193 4.921 117 HB ILE 17 HB ILE 17 -0.660 0.403 6.392 118 HG12 ILE 17 HG12 ILE 17 -0.460 -0.169 3.417 119 HG13 ILE 17 HG13 ILE 17 -1.941 0.207 4.290 120 HG21 ILE 17 HG21 ILE 17 1.697 -0.248 6.485 121 HG22 ILE 17 HG22 ILE 17 1.470 1.158 5.445 122 HG23 ILE 17 HG23 ILE 17 1.723 -0.434 4.730 123 HD11 ILE 17 HD11 ILE 17 -1.116 2.133 3.071 124 HD12 ILE 17 HD12 ILE 17 0.416 2.050 3.940 125 HD13 ILE 17 HD13 ILE 17 -1.072 2.427 4.808 126 H GLU 18 H GLU 18 1.510 -3.144 6.030 127 HA GLU 18 HA GLU 18 1.359 -3.430 8.918 128 HB2 GLU 18 HB2 GLU 18 2.130 -5.300 7.440 129 HB3 GLU 18 HB3 GLU 18 3.544 -4.338 7.027 130 HG2 GLU 18 HG2 GLU 18 3.908 -4.257 9.608 131 HG3 GLU 18 HG3 GLU 18 2.847 -5.663 9.616 132 H GLU 19 H GLU 19 3.918 -2.323 6.690 133 HA GLU 19 HA GLU 19 4.478 -0.020 8.385 134 HB2 GLU 19 HB2 GLU 19 5.902 -1.770 9.357 135 HB3 GLU 19 HB3 GLU 19 6.575 -2.127 7.771 136 HG2 GLU 19 HG2 GLU 19 7.482 0.192 7.696 137 HG3 GLU 19 HG3 GLU 19 6.912 0.421 9.349 138 H ILE 20 H ILE 20 5.135 1.711 7.202 139 HA ILE 20 HA ILE 20 5.650 1.338 4.339 140 HB ILE 20 HB ILE 20 5.376 3.939 5.871 141 HG12 ILE 20 HG12 ILE 20 3.283 2.408 4.295 142 HG13 ILE 20 HG13 ILE 20 3.309 2.617 6.042 143 HG21 ILE 20 HG21 ILE 20 5.285 3.342 2.910 144 HG22 ILE 20 HG22 ILE 20 6.556 4.210 3.772 145 HG23 ILE 20 HG23 ILE 20 4.945 4.911 3.637 146 HD11 ILE 20 HD11 ILE 20 2.940 4.789 3.991 147 HD12 ILE 20 HD12 ILE 20 3.033 5.037 5.734 148 HD13 ILE 20 HD13 ILE 20 1.703 4.106 5.046 149 H ASP 21 H ASP 21 7.577 2.092 3.335 150 HA ASP 21 HA ASP 21 9.925 1.705 4.862 151 HB2 ASP 21 HB2 ASP 21 9.836 1.137 2.501 152 HB3 ASP 21 HB3 ASP 21 9.581 2.825 2.075 153 H VAL 22 H VAL 22 11.204 3.057 5.938 154 HA VAL 22 HA VAL 22 10.444 5.798 6.313 155 HB VAL 22 HB VAL 22 11.320 4.450 8.165 156 HG11 VAL 22 HG11 VAL 22 13.938 4.485 6.660 157 HG12 VAL 22 HG12 VAL 22 12.920 3.078 6.962 158 HG13 VAL 22 HG13 VAL 22 13.711 3.897 8.308 159 HG21 VAL 22 HG21 VAL 22 12.853 6.089 9.123 160 HG22 VAL 22 HG22 VAL 22 11.526 6.890 8.281 161 HG23 VAL 22 HG23 VAL 22 13.119 6.796 7.528 162 H ASP 23 H ASP 23 12.752 4.146 4.295 163 HA ASP 23 HA ASP 23 14.319 6.483 3.671 164 HB2 ASP 23 HB2 ASP 23 15.276 4.232 3.488 165 HB3 ASP 23 HB3 ASP 23 14.103 3.816 2.244 166 H GLY 24 H GLY 24 11.515 4.868 2.294 167 HA2 GLY 24 HA2 GLY 24 9.773 6.185 1.324 168 HA3 GLY 24 HA3 GLY 24 10.982 7.320 0.754 169 H LYS 25 H LYS 25 10.895 3.768 0.356 170 HA LYS 25 HA LYS 25 10.598 4.198 -2.549 171 HB2 LYS 25 HB2 LYS 25 12.687 2.620 -1.093 172 HB3 LYS 25 HB3 LYS 25 12.205 2.135 -2.714 173 HG2 LYS 25 HG2 LYS 25 12.881 4.242 -3.623 174 HG3 LYS 25 HG3 LYS 25 13.153 4.910 -2.016 175 HD2 LYS 25 HD2 LYS 25 15.225 4.230 -3.300 176 HD3 LYS 25 HD3 LYS 25 15.076 3.571 -1.674 177 HE2 LYS 25 HE2 LYS 25 14.025 1.933 -3.932 178 HE3 LYS 25 HE3 LYS 25 15.774 2.063 -3.751 179 HZ1 LYS 25 HZ1 LYS 25 13.919 1.186 -1.605 180 HZ2 LYS 25 HZ2 LYS 25 15.604 1.239 -1.517 181 HZ3 LYS 25 HZ3 LYS 25 14.850 0.150 -2.565 182 H PHE 26 H PHE 26 9.272 2.544 0.103 183 HA PHE 26 HA PHE 26 7.515 1.118 -1.653 184 HB2 PHE 26 HB2 PHE 26 7.998 -1.162 -0.915 185 HB3 PHE 26 HB3 PHE 26 9.385 -0.444 -1.718 186 HD1 PHE 26 HD1 PHE 26 8.030 -1.608 1.494 187 HD2 PHE 26 HD2 PHE 26 11.435 -0.008 -0.514 188 HE1 PHE 26 HE1 PHE 26 9.449 -2.215 3.414 189 HE2 PHE 26 HE2 PHE 26 12.848 -0.614 1.401 190 HZ PHE 26 HZ PHE 26 11.860 -1.719 3.368 191 H ILE 27 H ILE 27 5.844 -0.133 -0.575 192 HA ILE 27 HA ILE 27 5.381 0.535 2.265 193 HB ILE 27 HB ILE 27 3.263 0.655 0.094 194 HG12 ILE 27 HG12 ILE 27 4.551 2.948 1.607 195 HG13 ILE 27 HG13 ILE 27 4.872 2.539 -0.073 196 HG21 ILE 27 HG21 ILE 27 3.133 1.350 3.034 197 HG22 ILE 27 HG22 ILE 27 2.358 -0.024 2.246 198 HG23 ILE 27 HG23 ILE 27 1.837 1.616 1.866 199 HD11 ILE 27 HD11 ILE 27 3.352 4.415 0.106 200 HD12 ILE 27 HD12 ILE 27 2.230 3.439 1.056 201 HD13 ILE 27 HD13 ILE 27 2.545 3.028 -0.630 202 H ARG 28 H ARG 28 5.183 -1.421 3.353 203 HA ARG 28 HA ARG 28 4.332 -3.757 1.798 204 HB2 ARG 28 HB2 ARG 28 6.418 -3.919 3.122 205 HB3 ARG 28 HB3 ARG 28 5.484 -3.689 4.596 206 HG2 ARG 28 HG2 ARG 28 4.334 -5.764 4.285 207 HG3 ARG 28 HG3 ARG 28 5.003 -5.956 2.665 208 HD2 ARG 28 HD2 ARG 28 6.203 -7.415 4.123 209 HD3 ARG 28 HD3 ARG 28 7.276 -6.086 3.693 210 HE ARG 28 HE ARG 28 5.849 -6.229 6.278 211 HH11 ARG 28 HH11 ARG 28 8.683 -5.559 4.426 212 HH12 ARG 28 HH12 ARG 28 9.630 -5.185 5.822 213 HH21 ARG 28 HH21 ARG 28 7.111 -5.762 8.054 214 HH22 ARG 28 HH22 ARG 28 8.767 -5.317 7.827 215 H LEU 29 H LEU 29 2.219 -4.111 1.726 216 HA LEU 29 HA LEU 29 0.518 -3.635 4.063 217 HB2 LEU 29 HB2 LEU 29 -0.161 -4.459 1.228 218 HB3 LEU 29 HB3 LEU 29 -1.346 -4.263 2.504 219 HG LEU 29 HG LEU 29 -0.615 -1.843 2.673 220 HD11 LEU 29 HD11 LEU 29 1.557 -2.045 1.585 221 HD12 LEU 29 HD12 LEU 29 0.535 -0.866 0.762 222 HD13 LEU 29 HD13 LEU 29 0.766 -2.472 0.067 223 HD21 LEU 29 HD21 LEU 29 -2.679 -2.514 1.556 224 HD22 LEU 29 HD22 LEU 29 -1.795 -2.759 0.049 225 HD23 LEU 29 HD23 LEU 29 -1.930 -1.141 0.740 226 H LYS 30 H LYS 30 -0.659 -5.278 5.096 227 HA LYS 30 HA LYS 30 0.097 -8.050 4.404 228 HB2 LYS 30 HB2 LYS 30 1.248 -7.118 6.462 229 HB3 LYS 30 HB3 LYS 30 -0.336 -7.026 7.218 230 HG2 LYS 30 HG2 LYS 30 -0.587 -9.471 6.906 231 HG3 LYS 30 HG3 LYS 30 1.050 -9.525 6.252 232 HD2 LYS 30 HD2 LYS 30 1.776 -8.438 8.459 233 HD3 LYS 30 HD3 LYS 30 0.171 -8.860 9.057 234 HE2 LYS 30 HE2 LYS 30 2.325 -10.728 8.077 235 HE3 LYS 30 HE3 LYS 30 1.677 -10.599 9.711 236 HZ1 LYS 30 HZ1 LYS 30 -0.467 -11.377 8.844 237 HZ2 LYS 30 HZ2 LYS 30 0.766 -12.512 8.609 238 HZ3 LYS 30 HZ3 LYS 30 0.225 -11.574 7.313 239 H ASN 31 H ASN 31 -1.599 -9.330 3.996 240 HA ASN 31 HA ASN 31 -4.296 -8.477 4.406 241 HB2 ASN 31 HB2 ASN 31 -3.700 -9.901 2.505 242 HB3 ASN 31 HB3 ASN 31 -3.194 -11.185 3.601 243 HD21 ASN 31 HD21 ASN 31 -4.688 -12.621 2.716 244 HD22 ASN 31 HD22 ASN 31 -6.378 -12.492 3.045 245 H THR 32 H THR 32 -5.597 -8.793 6.114 246 HA THR 32 HA THR 32 -4.547 -10.278 8.409 247 HB THR 32 HB THR 32 -6.244 -9.184 9.749 248 HG1 THR 32 HG1 THR 32 -7.286 -7.490 7.900 249 HG21 THR 32 HG21 THR 32 -4.951 -7.229 7.834 250 HG22 THR 32 HG22 THR 32 -4.219 -7.889 9.297 251 HG23 THR 32 HG23 THR 32 -5.621 -6.826 9.414 252 H SER 33 H SER 33 -6.825 -10.772 5.899 253 HA SER 33 HA SER 33 -8.744 -12.307 7.357 254 HB2 SER 33 HB2 SER 33 -9.638 -12.985 5.194 255 HB3 SER 33 HB3 SER 33 -9.274 -11.261 5.162 256 HG SER 33 HG SER 33 -8.309 -13.245 3.604 257 H GLU 34 H GLU 34 -8.801 -14.437 7.853 258 HA GLU 34 HA GLU 34 -6.397 -16.012 7.514 259 HB2 GLU 34 HB2 GLU 34 -9.061 -16.755 8.753 260 HB3 GLU 34 HB3 GLU 34 -7.564 -17.667 8.908 261 HG2 GLU 34 HG2 GLU 34 -6.534 -15.772 10.074 262 HG3 GLU 34 HG3 GLU 34 -8.043 -14.874 9.937 263 H GLN 35 H GLN 35 -8.045 -15.325 5.120 264 HA GLN 35 HA GLN 35 -8.183 -17.985 3.946 265 HB2 GLN 35 HB2 GLN 35 -10.463 -17.592 4.776 266 HB3 GLN 35 HB3 GLN 35 -10.526 -16.058 3.917 267 HG2 GLN 35 HG2 GLN 35 -10.341 -17.270 1.781 268 HG3 GLN 35 HG3 GLN 35 -10.334 -18.797 2.664 269 HE21 GLN 35 HE21 GLN 35 -12.244 -19.475 3.686 270 HE22 GLN 35 HE22 GLN 35 -13.780 -18.814 3.264 271 H ASP 36 H ASP 36 -7.773 -18.003 1.744 272 HA ASP 36 HA ASP 36 -6.355 -15.869 0.596 273 HB2 ASP 36 HB2 ASP 36 -7.641 -18.262 -0.745 274 HB3 ASP 36 HB3 ASP 36 -6.421 -17.222 -1.474 275 H GLN 37 H GLN 37 -7.318 -13.941 0.193 276 HA GLN 37 HA GLN 37 -9.978 -13.878 -1.069 277 HB2 GLN 37 HB2 GLN 37 -8.375 -11.667 0.243 278 HB3 GLN 37 HB3 GLN 37 -9.971 -11.466 -0.464 279 HG2 GLN 37 HG2 GLN 37 -9.266 -13.181 1.913 280 HG3 GLN 37 HG3 GLN 37 -10.120 -11.639 1.943 281 HE21 GLN 37 HE21 GLN 37 -12.254 -11.563 1.135 282 HE22 GLN 37 HE22 GLN 37 -13.212 -12.994 1.008 283 HA PRO 38 HA PRO 38 -8.030 -12.641 -4.934 284 HB2 PRO 38 HB2 PRO 38 -10.258 -12.156 -6.366 285 HB3 PRO 38 HB3 PRO 38 -9.798 -13.796 -5.897 286 HG2 PRO 38 HG2 PRO 38 -11.810 -11.965 -4.639 287 HG3 PRO 38 HG3 PRO 38 -11.951 -13.695 -5.009 288 HD2 PRO 38 HD2 PRO 38 -11.348 -12.729 -2.516 289 HD3 PRO 38 HD3 PRO 38 -10.822 -14.319 -3.104 290 H MET 39 H MET 39 -7.900 -10.650 -2.982 291 HA MET 39 HA MET 39 -7.545 -8.430 -2.729 292 HB2 MET 39 HB2 MET 39 -6.589 -8.546 -4.998 293 HB3 MET 39 HB3 MET 39 -8.178 -8.243 -5.683 294 HG2 MET 39 HG2 MET 39 -7.178 -6.172 -5.797 295 HG3 MET 39 HG3 MET 39 -8.103 -6.055 -4.306 296 HE1 MET 39 HE1 MET 39 -5.379 -6.093 -1.541 297 HE2 MET 39 HE2 MET 39 -6.476 -7.384 -2.028 298 HE3 MET 39 HE3 MET 39 -7.057 -5.723 -1.935 299 H GLY 40 H GLY 40 -10.210 -8.412 -5.137 300 HA2 GLY 40 HA2 GLY 40 -12.483 -7.939 -4.675 301 HA3 GLY 40 HA3 GLY 40 -12.021 -7.335 -3.092 302 H GLY 41 H GLY 41 -9.937 -6.021 -5.337 303 HA2 GLY 41 HA2 GLY 41 -9.863 -4.035 -6.535 304 HA3 GLY 41 HA3 GLY 41 -11.606 -3.905 -6.363 305 H TRP 42 H TRP 42 -8.553 -2.848 -5.214 306 HA TRP 42 HA TRP 42 -9.860 -1.168 -3.157 307 HB2 TRP 42 HB2 TRP 42 -7.081 -2.373 -3.168 308 HB3 TRP 42 HB3 TRP 42 -7.591 -1.125 -2.039 309 HD1 TRP 42 HD1 TRP 42 -9.115 -4.573 -3.071 310 HE1 TRP 42 HE1 TRP 42 -9.771 -5.807 -0.914 311 HE3 TRP 42 HE3 TRP 42 -7.648 -1.063 0.346 312 HZ2 TRP 42 HZ2 TRP 42 -9.676 -5.354 1.871 313 HZ3 TRP 42 HZ3 TRP 42 -7.960 -1.544 2.738 314 HH2 TRP 42 HH2 TRP 42 -8.954 -3.647 3.484 315 H GLU 43 H GLU 43 -8.391 0.822 -2.641 316 HA GLU 43 HA GLU 43 -6.918 1.797 -4.972 317 HB2 GLU 43 HB2 GLU 43 -9.216 2.591 -5.316 318 HB3 GLU 43 HB3 GLU 43 -9.205 3.342 -3.726 319 HG2 GLU 43 HG2 GLU 43 -7.407 4.845 -4.450 320 HG3 GLU 43 HG3 GLU 43 -7.422 4.091 -6.043 321 H MET 44 H MET 44 -5.052 2.625 -4.330 322 HA MET 44 HA MET 44 -4.688 3.488 -1.543 323 HB2 MET 44 HB2 MET 44 -3.135 1.786 -2.344 324 HB3 MET 44 HB3 MET 44 -2.681 2.799 -3.707 325 HG2 MET 44 HG2 MET 44 -1.770 4.462 -2.109 326 HG3 MET 44 HG3 MET 44 -2.131 3.346 -0.795 327 HE1 MET 44 HE1 MET 44 0.921 2.479 -4.146 328 HE2 MET 44 HE2 MET 44 -0.016 3.969 -4.033 329 HE3 MET 44 HE3 MET 44 -0.822 2.446 -4.410 330 H ILE 45 H ILE 45 -4.807 5.628 -1.148 331 HA ILE 45 HA ILE 45 -4.071 7.525 -3.281 332 HB ILE 45 HB ILE 45 -5.638 8.062 -0.744 333 HG12 ILE 45 HG12 ILE 45 -7.526 8.489 -2.421 334 HG13 ILE 45 HG13 ILE 45 -6.528 7.668 -3.613 335 HG21 ILE 45 HG21 ILE 45 -6.120 10.260 -1.782 336 HG22 ILE 45 HG22 ILE 45 -4.996 9.866 -3.083 337 HG23 ILE 45 HG23 ILE 45 -4.408 10.030 -1.429 338 HD11 ILE 45 HD11 ILE 45 -8.200 6.185 -2.672 339 HD12 ILE 45 HD12 ILE 45 -7.571 6.479 -1.051 340 HD13 ILE 45 HD13 ILE 45 -6.578 5.642 -2.244 341 H ARG 46 H ARG 46 -1.955 8.002 -3.142 342 HA ARG 46 HA ARG 46 -0.557 8.194 -0.616 343 HB2 ARG 46 HB2 ARG 46 0.699 7.238 -2.383 344 HB3 ARG 46 HB3 ARG 46 0.252 8.517 -3.503 345 HG2 ARG 46 HG2 ARG 46 1.640 10.105 -2.230 346 HG3 ARG 46 HG3 ARG 46 2.105 8.801 -1.132 347 HD2 ARG 46 HD2 ARG 46 3.266 7.646 -2.853 348 HD3 ARG 46 HD3 ARG 46 2.566 8.665 -4.111 349 HE ARG 46 HE ARG 46 4.019 10.318 -2.407 350 HH11 ARG 46 HH11 ARG 46 4.649 7.677 -4.510 351 HH12 ARG 46 HH12 ARG 46 6.199 8.268 -4.985 352 HH21 ARG 46 HH21 ARG 46 6.026 11.082 -3.034 353 HH22 ARG 46 HH22 ARG 46 6.978 10.164 -4.146 354 H LYS 47 H LYS 47 -0.957 9.971 0.603 355 HA LYS 47 HA LYS 47 -0.735 12.612 -0.713 356 HB2 LYS 47 HB2 LYS 47 -2.139 11.990 1.897 357 HB3 LYS 47 HB3 LYS 47 -2.075 13.550 1.088 358 HG2 LYS 47 HG2 LYS 47 -3.238 12.363 -0.870 359 HG3 LYS 47 HG3 LYS 47 -3.587 11.085 0.293 360 HD2 LYS 47 HD2 LYS 47 -4.390 13.991 0.528 361 HD3 LYS 47 HD3 LYS 47 -5.459 12.645 0.138 362 HE2 LYS 47 HE2 LYS 47 -5.122 11.689 2.339 363 HE3 LYS 47 HE3 LYS 47 -3.928 12.924 2.730 364 HZ1 LYS 47 HZ1 LYS 47 -6.793 13.444 2.164 365 HZ2 LYS 47 HZ2 LYS 47 -5.640 14.600 2.604 366 HZ3 LYS 47 HZ3 LYS 47 -6.098 13.399 3.702 367 H ILE 48 H ILE 48 0.639 14.151 0.166 368 HA ILE 48 HA ILE 48 2.017 13.800 2.638 369 HB ILE 48 HB ILE 48 3.216 12.071 1.451 370 HG12 ILE 48 HG12 ILE 48 4.959 14.546 1.666 371 HG13 ILE 48 HG13 ILE 48 4.497 13.514 3.016 372 HG21 ILE 48 HG21 ILE 48 3.863 14.157 -0.638 373 HG22 ILE 48 HG22 ILE 48 2.808 12.757 -0.840 374 HG23 ILE 48 HG23 ILE 48 4.535 12.526 -0.576 375 HD11 ILE 48 HD11 ILE 48 5.688 11.645 1.983 376 HD12 ILE 48 HD12 ILE 48 6.746 13.022 2.281 377 HD13 ILE 48 HD13 ILE 48 6.166 12.694 0.648 378 H GLY 49 H GLY 49 2.283 15.293 -0.603 379 HA2 GLY 49 HA2 GLY 49 3.274 17.770 0.644 380 HA3 GLY 49 HA3 GLY 49 3.360 17.375 -1.064 381 H ASP 50 H ASP 50 2.407 19.305 -1.741 382 HA ASP 50 HA ASP 50 -0.124 20.196 -0.681 383 HB2 ASP 50 HB2 ASP 50 1.393 21.146 -3.126 384 HB3 ASP 50 HB3 ASP 50 0.057 21.986 -2.341 385 H THR 51 H THR 51 0.371 17.588 -2.415 386 HA THR 51 HA THR 51 -2.149 17.750 -3.874 387 HB THR 51 HB THR 51 -0.515 18.517 -5.543 388 HG1 THR 51 HG1 THR 51 -1.526 17.379 -7.013 389 HG21 THR 51 HG21 THR 51 1.246 16.985 -6.355 390 HG22 THR 51 HG22 THR 51 0.856 15.865 -5.049 391 HG23 THR 51 HG23 THR 51 1.502 17.463 -4.676 392 H SER 52 H SER 52 -2.729 15.575 -4.829 393 HA SER 52 HA SER 52 -1.586 13.349 -3.244 394 HB2 SER 52 HB2 SER 52 -3.844 12.426 -2.937 395 HB3 SER 52 HB3 SER 52 -3.741 14.049 -2.252 396 HG SER 52 HG SER 52 -5.184 14.708 -3.628 397 H VAL 53 H VAL 53 -2.104 11.186 -4.156 398 HA VAL 53 HA VAL 53 -2.890 11.094 -6.956 399 HB VAL 53 HB VAL 53 -0.526 11.542 -7.187 400 HG11 VAL 53 HG11 VAL 53 -0.056 9.163 -5.386 401 HG12 VAL 53 HG12 VAL 53 0.247 10.854 -4.990 402 HG13 VAL 53 HG13 VAL 53 1.195 10.060 -6.248 403 HG21 VAL 53 HG21 VAL 53 0.191 9.540 -8.445 404 HG22 VAL 53 HG22 VAL 53 -1.478 9.989 -8.795 405 HG23 VAL 53 HG23 VAL 53 -1.137 8.630 -7.725 406 H SER 54 H SER 54 -3.913 9.195 -7.457 407 HA SER 54 HA SER 54 -4.122 7.227 -5.268 408 HB2 SER 54 HB2 SER 54 -6.041 7.875 -7.520 409 HB3 SER 54 HB3 SER 54 -6.289 6.586 -6.344 410 HG SER 54 HG SER 54 -7.247 8.125 -5.272 411 H TYR 55 H TYR 55 -4.408 4.967 -5.805 412 HA TYR 55 HA TYR 55 -3.720 4.130 -8.527 413 HB2 TYR 55 HB2 TYR 55 -1.587 3.976 -7.412 414 HB3 TYR 55 HB3 TYR 55 -2.309 3.151 -6.032 415 HD1 TYR 55 HD1 TYR 55 -1.812 2.765 -9.717 416 HD2 TYR 55 HD2 TYR 55 -2.278 0.806 -5.960 417 HE1 TYR 55 HE1 TYR 55 -1.394 0.599 -10.798 418 HE2 TYR 55 HE2 TYR 55 -1.859 -1.364 -7.037 419 HH TYR 55 HH TYR 55 -0.611 -1.661 -10.163 420 H LYS 56 H LYS 56 -5.283 2.798 -9.203 421 HA LYS 56 HA LYS 56 -6.957 1.434 -7.231 422 HB2 LYS 56 HB2 LYS 56 -7.883 2.794 -9.166 423 HB3 LYS 56 HB3 LYS 56 -7.325 1.514 -10.232 424 HG2 LYS 56 HG2 LYS 56 -8.858 -0.037 -9.363 425 HG3 LYS 56 HG3 LYS 56 -9.179 0.948 -7.933 426 HD2 LYS 56 HD2 LYS 56 -9.919 1.702 -10.772 427 HD3 LYS 56 HD3 LYS 56 -11.030 1.023 -9.580 428 HE2 LYS 56 HE2 LYS 56 -10.683 2.966 -8.134 429 HE3 LYS 56 HE3 LYS 56 -9.536 3.638 -9.290 430 HZ1 LYS 56 HZ1 LYS 56 -11.282 3.884 -10.888 431 HZ2 LYS 56 HZ2 LYS 56 -11.776 4.616 -9.447 432 HZ3 LYS 56 HZ3 LYS 56 -12.395 3.106 -9.885 433 H TYR 57 H TYR 57 -6.751 -0.673 -6.763 434 HA TYR 57 HA TYR 57 -4.525 -2.126 -7.835 435 HB2 TYR 57 HB2 TYR 57 -6.600 -2.805 -5.751 436 HB3 TYR 57 HB3 TYR 57 -5.322 -3.922 -6.219 437 HD1 TYR 57 HD1 TYR 57 -5.912 -0.526 -4.796 438 HD2 TYR 57 HD2 TYR 57 -3.172 -3.752 -5.275 439 HE1 TYR 57 HE1 TYR 57 -4.381 0.539 -3.196 440 HE2 TYR 57 HE2 TYR 57 -1.638 -2.692 -3.675 441 HH TYR 57 HH TYR 57 -2.556 -0.139 -1.667 442 H THR 58 H THR 58 -4.895 -4.636 -8.078 443 HA THR 58 HA THR 58 -7.031 -5.062 -10.078 444 HB THR 58 HB THR 58 -5.150 -4.873 -11.451 445 HG1 THR 58 HG1 THR 58 -5.371 -6.757 -12.376 446 HG21 THR 58 HG21 THR 58 -3.593 -6.507 -9.442 447 HG22 THR 58 HG22 THR 58 -3.437 -4.772 -9.720 448 HG23 THR 58 HG23 THR 58 -2.969 -5.914 -10.981 449 H SER 59 H SER 59 -7.379 -7.427 -10.569 450 HA SER 59 HA SER 59 -7.457 -8.921 -8.017 451 HB2 SER 59 HB2 SER 59 -9.655 -8.342 -8.984 452 HB3 SER 59 HB3 SER 59 -9.232 -9.197 -10.464 453 HG SER 59 HG SER 59 -9.014 -11.111 -9.104 454 H ARG 60 H ARG 60 -5.456 -8.860 -10.490 455 HA ARG 60 HA ARG 60 -5.487 -11.475 -11.575 456 HB2 ARG 60 HB2 ARG 60 -3.194 -10.988 -12.350 457 HB3 ARG 60 HB3 ARG 60 -4.319 -9.689 -12.715 458 HG2 ARG 60 HG2 ARG 60 -3.455 -8.384 -10.850 459 HG3 ARG 60 HG3 ARG 60 -2.360 -9.700 -10.415 460 HD2 ARG 60 HD2 ARG 60 -2.333 -8.188 -13.032 461 HD3 ARG 60 HD3 ARG 60 -1.231 -7.909 -11.683 462 HE ARG 60 HE ARG 60 -1.171 -10.623 -12.528 463 HH11 ARG 60 HH11 ARG 60 -0.055 -7.471 -13.436 464 HH12 ARG 60 HH12 ARG 60 1.361 -8.101 -14.213 465 HH21 ARG 60 HH21 ARG 60 0.627 -11.383 -13.552 466 HH22 ARG 60 HH22 ARG 60 1.732 -10.271 -14.292 467 H TYR 61 H TYR 61 -3.945 -10.165 -8.692 468 HA TYR 61 HA TYR 61 -2.706 -12.773 -8.129 469 HB2 TYR 61 HB2 TYR 61 -1.538 -11.472 -6.266 470 HB3 TYR 61 HB3 TYR 61 -1.094 -11.048 -7.915 471 HD1 TYR 61 HD1 TYR 61 -3.139 -9.954 -5.006 472 HD2 TYR 61 HD2 TYR 61 -1.386 -8.849 -8.725 473 HE1 TYR 61 HE1 TYR 61 -3.695 -7.599 -4.567 474 HE2 TYR 61 HE2 TYR 61 -1.937 -6.497 -8.292 475 HH TYR 61 HH TYR 61 -3.018 -5.385 -5.243 476 H VAL 62 H VAL 62 -3.045 -13.855 -6.164 477 HA VAL 62 HA VAL 62 -5.565 -13.165 -4.805 478 HB VAL 62 HB VAL 62 -4.035 -15.783 -4.772 479 HG11 VAL 62 HG11 VAL 62 -6.059 -16.716 -3.734 480 HG12 VAL 62 HG12 VAL 62 -6.776 -15.104 -3.684 481 HG13 VAL 62 HG13 VAL 62 -5.336 -15.459 -2.729 482 HG21 VAL 62 HG21 VAL 62 -6.560 -15.022 -6.257 483 HG22 VAL 62 HG22 VAL 62 -5.831 -16.628 -6.212 484 HG23 VAL 62 HG23 VAL 62 -4.974 -15.292 -6.980 485 H LEU 63 H LEU 63 -5.541 -12.383 -2.793 486 HA LEU 63 HA LEU 63 -3.078 -12.163 -1.303 487 HB2 LEU 63 HB2 LEU 63 -5.902 -11.263 -0.740 488 HB3 LEU 63 HB3 LEU 63 -4.607 -11.063 0.421 489 HG LEU 63 HG LEU 63 -4.996 -8.986 -0.784 490 HD11 LEU 63 HD11 LEU 63 -2.707 -9.499 -0.077 491 HD12 LEU 63 HD12 LEU 63 -2.735 -8.532 -1.551 492 HD13 LEU 63 HD13 LEU 63 -2.396 -10.261 -1.639 493 HD21 LEU 63 HD21 LEU 63 -5.911 -9.933 -2.853 494 HD22 LEU 63 HD22 LEU 63 -4.306 -10.517 -3.293 495 HD23 LEU 63 HD23 LEU 63 -4.614 -8.784 -3.179 496 H LYS 64 H LYS 64 -2.445 -14.147 -0.596 497 HA LYS 64 HA LYS 64 -4.150 -16.115 0.515 498 HB2 LYS 64 HB2 LYS 64 -1.158 -15.766 0.815 499 HB3 LYS 64 HB3 LYS 64 -2.056 -17.228 1.204 500 HG2 LYS 64 HG2 LYS 64 -2.686 -17.495 -1.130 501 HG3 LYS 64 HG3 LYS 64 -1.856 -15.994 -1.543 502 HD2 LYS 64 HD2 LYS 64 0.281 -16.957 -0.906 503 HD3 LYS 64 HD3 LYS 64 -0.516 -18.434 -0.361 504 HE2 LYS 64 HE2 LYS 64 -0.512 -17.391 -3.197 505 HE3 LYS 64 HE3 LYS 64 0.508 -18.691 -2.587 506 HZ1 LYS 64 HZ1 LYS 64 -2.460 -18.718 -2.707 507 HZ2 LYS 64 HZ2 LYS 64 -1.498 -19.958 -2.077 508 HZ3 LYS 64 HZ3 LYS 64 -1.415 -19.574 -3.719 509 H ALA 65 H ALA 65 -3.798 -17.027 2.763 510 HA ALA 65 HA ALA 65 -4.580 -15.178 4.718 511 HB1 ALA 65 HB1 ALA 65 -3.384 -17.925 5.116 512 HB2 ALA 65 HB2 ALA 65 -5.092 -17.566 4.863 513 HB3 ALA 65 HB3 ALA 65 -4.279 -17.005 6.325 514 H GLY 66 H GLY 66 -3.334 -13.526 5.389 515 HA2 GLY 66 HA2 GLY 66 -1.658 -12.566 6.693 516 HA3 GLY 66 HA3 GLY 66 -0.777 -14.084 6.658 517 H GLN 67 H GLN 67 -1.647 -13.307 3.534 518 HA GLN 67 HA GLN 67 0.950 -13.107 2.579 519 HB2 GLN 67 HB2 GLN 67 -0.901 -13.728 1.153 520 HB3 GLN 67 HB3 GLN 67 -1.632 -12.143 1.339 521 HG2 GLN 67 HG2 GLN 67 -0.607 -12.317 -0.829 522 HG3 GLN 67 HG3 GLN 67 0.275 -11.141 0.141 523 HE21 GLN 67 HE21 GLN 67 2.386 -11.601 0.750 524 HE22 GLN 67 HE22 GLN 67 3.283 -12.911 0.079 525 H THR 68 H THR 68 2.430 -11.567 2.789 526 HA THR 68 HA THR 68 1.672 -8.761 3.116 527 HB THR 68 HB THR 68 4.094 -8.362 3.488 528 HG1 THR 68 HG1 THR 68 4.909 -10.104 2.208 529 HG21 THR 68 HG21 THR 68 2.668 -8.895 5.406 530 HG22 THR 68 HG22 THR 68 4.288 -9.558 5.623 531 HG23 THR 68 HG23 THR 68 2.959 -10.616 5.152 532 H VAL 69 H VAL 69 1.316 -7.639 1.294 533 HA VAL 69 HA VAL 69 3.041 -8.136 -1.053 534 HB VAL 69 HB VAL 69 1.285 -6.945 -2.383 535 HG11 VAL 69 HG11 VAL 69 1.361 -9.385 -2.329 536 HG12 VAL 69 HG12 VAL 69 -0.305 -8.816 -2.416 537 HG13 VAL 69 HG13 VAL 69 0.347 -9.399 -0.885 538 HG21 VAL 69 HG21 VAL 69 0.250 -5.660 -0.562 539 HG22 VAL 69 HG22 VAL 69 -0.352 -7.156 0.154 540 HG23 VAL 69 HG23 VAL 69 -0.945 -6.632 -1.421 541 H THR 70 H THR 70 4.393 -6.564 -1.730 542 HA THR 70 HA THR 70 4.376 -4.063 -0.170 543 HB THR 70 HB THR 70 6.709 -5.396 -1.572 544 HG1 THR 70 HG1 THR 70 7.094 -6.337 0.305 545 HG21 THR 70 HG21 THR 70 6.619 -2.993 0.267 546 HG22 THR 70 HG22 THR 70 6.976 -2.965 -1.460 547 HG23 THR 70 HG23 THR 70 8.083 -3.764 -0.343 548 H ILE 71 H ILE 71 3.704 -2.320 -1.211 549 HA ILE 71 HA ILE 71 3.822 -2.088 -4.103 550 HB ILE 71 HB ILE 71 2.936 0.007 -2.100 551 HG12 ILE 71 HG12 ILE 71 1.604 -2.015 -1.766 552 HG13 ILE 71 HG13 ILE 71 0.627 -0.770 -2.532 553 HG21 ILE 71 HG21 ILE 71 3.397 0.913 -4.298 554 HG22 ILE 71 HG22 ILE 71 1.654 0.903 -4.015 555 HG23 ILE 71 HG23 ILE 71 2.385 -0.321 -5.054 556 HD11 ILE 71 HD11 ILE 71 0.915 -1.871 -4.688 557 HD12 ILE 71 HD12 ILE 71 0.194 -2.949 -3.494 558 HD13 ILE 71 HD13 ILE 71 1.897 -3.118 -3.917 559 H TRP 72 H TRP 72 5.825 -1.669 -4.882 560 HA TRP 72 HA TRP 72 7.665 0.102 -3.483 561 HB2 TRP 72 HB2 TRP 72 7.939 -1.484 -6.049 562 HB3 TRP 72 HB3 TRP 72 9.213 -0.480 -5.370 563 HD1 TRP 72 HD1 TRP 72 7.141 -3.614 -4.412 564 HE1 TRP 72 HE1 TRP 72 8.608 -5.105 -2.911 565 HE3 TRP 72 HE3 TRP 72 11.221 -0.562 -3.985 566 HZ2 TRP 72 HZ2 TRP 72 11.162 -5.000 -1.710 567 HZ3 TRP 72 HZ3 TRP 72 13.140 -1.335 -2.650 568 HH2 TRP 72 HH2 TRP 72 13.110 -3.509 -1.534 569 H ALA 73 H ALA 73 8.689 1.923 -4.560 570 HA ALA 73 HA ALA 73 6.841 3.470 -6.185 571 HB1 ALA 73 HB1 ALA 73 8.064 4.545 -4.346 572 HB2 ALA 73 HB2 ALA 73 8.420 5.306 -5.896 573 HB3 ALA 73 HB3 ALA 73 9.590 4.207 -5.163 574 H ALA 74 H ALA 74 7.954 4.823 -8.028 575 HA ALA 74 HA ALA 74 8.589 3.166 -10.157 576 HB1 ALA 74 HB1 ALA 74 9.382 6.064 -9.863 577 HB2 ALA 74 HB2 ALA 74 7.795 5.491 -10.372 578 HB3 ALA 74 HB3 ALA 74 9.211 5.169 -11.374 579 H ASN 75 H ASN 75 10.697 4.330 -7.667 580 HA ASN 75 HA ASN 75 13.109 3.542 -9.150 581 HB2 ASN 75 HB2 ASN 75 12.845 4.918 -6.462 582 HB3 ASN 75 HB3 ASN 75 14.353 4.621 -7.322 583 HD21 ASN 75 HD21 ASN 75 11.607 6.633 -7.026 584 HD22 ASN 75 HD22 ASN 75 12.051 7.780 -8.242 585 H ALA 76 H ALA 76 11.171 1.583 -8.146 586 HA ALA 76 HA ALA 76 11.740 0.311 -5.786 587 HB1 ALA 76 HB1 ALA 76 9.903 -0.304 -7.281 588 HB2 ALA 76 HB2 ALA 76 10.851 -1.717 -6.813 589 HB3 ALA 76 HB3 ALA 76 11.058 -1.006 -8.414 590 H GLY 77 H GLY 77 13.144 -0.667 -8.926 591 HA2 GLY 77 HA2 GLY 77 15.534 -1.152 -9.104 592 HA3 GLY 77 HA3 GLY 77 15.470 -1.779 -7.464 593 H VAL 78 H VAL 78 13.051 -3.274 -7.758 594 HA VAL 78 HA VAL 78 14.073 -5.655 -9.005 595 HB VAL 78 HB VAL 78 11.956 -6.706 -8.284 596 HG11 VAL 78 HG11 VAL 78 12.292 -6.453 -5.863 597 HG12 VAL 78 HG12 VAL 78 13.281 -5.020 -6.153 598 HG13 VAL 78 HG13 VAL 78 13.825 -6.598 -6.725 599 HG21 VAL 78 HG21 VAL 78 10.443 -4.816 -8.617 600 HG22 VAL 78 HG22 VAL 78 11.222 -3.942 -7.297 601 HG23 VAL 78 HG23 VAL 78 10.323 -5.425 -6.965 602 H THR 79 H THR 79 12.635 -6.974 -10.497 603 HA THR 79 HA THR 79 12.234 -5.514 -12.894 604 HB THR 79 HB THR 79 12.910 -7.881 -12.906 605 HG1 THR 79 HG1 THR 79 11.216 -8.514 -14.538 606 HG21 THR 79 HG21 THR 79 11.216 -9.640 -12.557 607 HG22 THR 79 HG22 THR 79 10.061 -8.417 -12.028 608 HG23 THR 79 HG23 THR 79 11.519 -8.725 -11.082 609 H ALA 80 H ALA 80 10.154 -5.896 -14.240 610 HA ALA 80 HA ALA 80 8.139 -4.356 -12.910 611 HB1 ALA 80 HB1 ALA 80 7.052 -4.262 -15.084 612 HB2 ALA 80 HB2 ALA 80 8.143 -5.505 -15.698 613 HB3 ALA 80 HB3 ALA 80 8.778 -3.927 -15.229 614 H SER 81 H SER 81 7.255 -5.691 -11.317 615 HA SER 81 HA SER 81 5.581 -6.923 -10.419 616 HB2 SER 81 HB2 SER 81 4.468 -6.784 -13.228 617 HB3 SER 81 HB3 SER 81 3.567 -7.363 -11.827 618 HG SER 81 HG SER 81 4.314 -4.777 -12.531 619 HA PRO 82 HA PRO 82 7.495 -11.011 -11.297 620 HB2 PRO 82 HB2 PRO 82 6.284 -11.329 -8.582 621 HB3 PRO 82 HB3 PRO 82 7.861 -11.853 -9.187 622 HG2 PRO 82 HG2 PRO 82 7.690 -9.699 -7.651 623 HG3 PRO 82 HG3 PRO 82 8.771 -9.704 -9.060 624 HD2 PRO 82 HD2 PRO 82 6.090 -8.414 -8.729 625 HD3 PRO 82 HD3 PRO 82 7.534 -7.813 -9.570 626 HA PRO 83 HA PRO 83 4.518 -9.445 -9.743 627 HB2 PRO 83 HB2 PRO 83 1.889 -9.400 -9.434 628 HB3 PRO 83 HB3 PRO 83 2.603 -9.208 -11.040 629 HG2 PRO 83 HG2 PRO 83 1.237 -11.571 -9.845 630 HG3 PRO 83 HG3 PRO 83 1.262 -11.024 -11.529 631 HD2 PRO 83 HD2 PRO 83 2.903 -13.036 -10.335 632 HD3 PRO 83 HD3 PRO 83 3.021 -12.392 -11.984 633 H THR 84 H THR 84 4.824 -9.112 -7.632 634 HA THR 84 HA THR 84 3.020 -10.092 -5.651 635 HB THR 84 HB THR 84 4.439 -12.057 -5.606 636 HG1 THR 84 HG1 THR 84 5.486 -11.413 -3.346 637 HG21 THR 84 HG21 THR 84 6.478 -11.161 -6.597 638 HG22 THR 84 HG22 THR 84 6.837 -11.938 -5.054 639 HG23 THR 84 HG23 THR 84 6.765 -10.179 -5.160 640 H ASP 85 H ASP 85 6.313 -8.739 -6.018 641 HA ASP 85 HA ASP 85 5.647 -6.443 -4.373 642 HB2 ASP 85 HB2 ASP 85 8.033 -6.932 -6.192 643 HB3 ASP 85 HB3 ASP 85 7.883 -5.641 -5.005 644 H LEU 86 H LEU 86 4.382 -4.834 -5.200 645 HA LEU 86 HA LEU 86 4.060 -4.659 -8.109 646 HB2 LEU 86 HB2 LEU 86 2.514 -3.328 -5.878 647 HB3 LEU 86 HB3 LEU 86 2.147 -3.174 -7.585 648 HG LEU 86 HG LEU 86 1.991 -5.712 -5.951 649 HD11 LEU 86 HD11 LEU 86 -0.173 -4.046 -7.237 650 HD12 LEU 86 HD12 LEU 86 0.163 -4.160 -5.509 651 HD13 LEU 86 HD13 LEU 86 -0.408 -5.575 -6.390 652 HD21 LEU 86 HD21 LEU 86 1.076 -6.750 -7.981 653 HD22 LEU 86 HD22 LEU 86 2.740 -6.217 -8.214 654 HD23 LEU 86 HD23 LEU 86 1.410 -5.273 -8.884 655 H ILE 87 H ILE 87 5.378 -3.344 -9.183 656 HA ILE 87 HA ILE 87 6.654 -1.087 -7.898 657 HB ILE 87 HB ILE 87 6.838 -2.026 -10.775 658 HG12 ILE 87 HG12 ILE 87 9.164 -2.737 -10.046 659 HG13 ILE 87 HG13 ILE 87 8.659 -2.449 -8.385 660 HG21 ILE 87 HG21 ILE 87 8.513 0.016 -9.309 661 HG22 ILE 87 HG22 ILE 87 7.326 0.365 -10.563 662 HG23 ILE 87 HG23 ILE 87 8.779 -0.550 -10.959 663 HD11 ILE 87 HD11 ILE 87 8.545 -4.797 -8.943 664 HD12 ILE 87 HD12 ILE 87 7.460 -4.448 -10.288 665 HD13 ILE 87 HD13 ILE 87 6.931 -4.164 -8.628 666 H TRP 88 H TRP 88 5.174 0.450 -7.470 667 HA TRP 88 HA TRP 88 3.141 1.304 -9.270 668 HB2 TRP 88 HB2 TRP 88 2.967 1.478 -6.806 669 HB3 TRP 88 HB3 TRP 88 4.260 2.668 -6.807 670 HD1 TRP 88 HD1 TRP 88 0.798 2.350 -8.568 671 HE1 TRP 88 HE1 TRP 88 -0.336 4.655 -8.465 672 HE3 TRP 88 HE3 TRP 88 4.485 4.955 -6.178 673 HZ2 TRP 88 HZ2 TRP 88 0.250 7.232 -7.487 674 HZ3 TRP 88 HZ3 TRP 88 4.117 7.338 -5.698 675 HH2 TRP 88 HH2 TRP 88 2.045 8.449 -6.340 676 H LYS 89 H LYS 89 4.195 1.818 -11.213 677 HA LYS 89 HA LYS 89 6.367 3.711 -11.310 678 HB2 LYS 89 HB2 LYS 89 4.757 2.442 -13.537 679 HB3 LYS 89 HB3 LYS 89 6.217 3.396 -13.762 680 HG2 LYS 89 HG2 LYS 89 7.480 1.736 -12.448 681 HG3 LYS 89 HG3 LYS 89 6.013 0.767 -12.297 682 HD2 LYS 89 HD2 LYS 89 7.347 1.519 -14.908 683 HD3 LYS 89 HD3 LYS 89 7.514 -0.037 -14.095 684 HE2 LYS 89 HE2 LYS 89 5.108 -0.431 -14.342 685 HE3 LYS 89 HE3 LYS 89 4.925 1.138 -15.127 686 HZ1 LYS 89 HZ1 LYS 89 6.368 0.364 -16.910 687 HZ2 LYS 89 HZ2 LYS 89 5.027 -0.650 -16.745 688 HZ3 LYS 89 HZ3 LYS 89 6.533 -1.139 -16.158 689 H ASN 90 H ASN 90 3.279 4.381 -10.685 690 HA ASN 90 HA ASN 90 2.614 6.332 -12.653 691 HB2 ASN 90 HB2 ASN 90 1.553 5.941 -9.848 692 HB3 ASN 90 HB3 ASN 90 0.870 7.058 -11.024 693 HD21 ASN 90 HD21 ASN 90 1.335 5.242 -13.271 694 HD22 ASN 90 HD22 ASN 90 0.132 4.014 -13.127 695 H GLN 91 H GLN 91 4.522 6.451 -9.727 696 HA GLN 91 HA GLN 91 5.457 9.086 -10.411 697 HB2 GLN 91 HB2 GLN 91 3.347 9.565 -9.166 698 HB3 GLN 91 HB3 GLN 91 4.017 8.741 -7.768 699 HG2 GLN 91 HG2 GLN 91 5.745 10.400 -7.543 700 HG3 GLN 91 HG3 GLN 91 5.255 11.170 -9.051 701 HE21 GLN 91 HE21 GLN 91 5.429 12.319 -6.381 702 HE22 GLN 91 HE22 GLN 91 3.853 12.921 -6.021 703 H ASN 92 H ASN 92 7.278 9.789 -9.062 704 HA ASN 92 HA ASN 92 8.997 7.567 -8.509 705 HB2 ASN 92 HB2 ASN 92 9.390 10.554 -8.321 706 HB3 ASN 92 HB3 ASN 92 10.666 9.395 -7.955 707 HD21 ASN 92 HD21 ASN 92 10.482 11.409 -10.071 708 HD22 ASN 92 HD22 ASN 92 10.681 10.541 -11.554 709 H SER 93 H SER 93 10.634 8.402 -6.471 710 HA SER 93 HA SER 93 9.321 7.178 -4.270 711 HB2 SER 93 HB2 SER 93 11.994 8.604 -4.348 712 HB3 SER 93 HB3 SER 93 11.461 7.468 -3.109 713 HG SER 93 HG SER 93 12.753 6.398 -4.610 714 H TRP 94 H TRP 94 10.043 8.338 -1.961 715 HA TRP 94 HA TRP 94 9.205 11.147 -2.000 716 HB2 TRP 94 HB2 TRP 94 7.593 10.783 -0.149 717 HB3 TRP 94 HB3 TRP 94 7.118 9.955 -1.625 718 HD1 TRP 94 HD1 TRP 94 8.228 9.285 1.961 719 HE1 TRP 94 HE1 TRP 94 7.813 6.807 2.515 720 HE3 TRP 94 HE3 TRP 94 7.000 7.600 -2.710 721 HZ2 TRP 94 HZ2 TRP 94 7.063 4.451 1.155 722 HZ3 TRP 94 HZ3 TRP 94 6.445 5.220 -2.998 723 HH2 TRP 94 HH2 TRP 94 6.476 3.676 -1.104 724 H GLY 95 H GLY 95 9.954 12.393 -0.279 725 HA2 GLY 95 HA2 GLY 95 11.050 11.452 2.125 726 HA3 GLY 95 HA3 GLY 95 12.362 11.587 0.962 727 H THR 96 H THR 96 9.499 13.652 1.427 728 HA THR 96 HA THR 96 11.147 16.033 1.233 729 HB THR 96 HB THR 96 8.945 15.889 0.095 730 HG1 THR 96 HG1 THR 96 8.926 17.945 2.079 731 HG21 THR 96 HG21 THR 96 6.876 16.099 1.378 732 HG22 THR 96 HG22 THR 96 7.791 16.031 2.885 733 HG23 THR 96 HG23 THR 96 7.736 14.624 1.825 734 H GLY 97 H GLY 97 11.131 14.224 3.749 735 HA2 GLY 97 HA2 GLY 97 11.718 14.794 5.946 736 HA3 GLY 97 HA3 GLY 97 11.143 16.427 5.662 737 H GLU 98 H GLU 98 8.510 15.750 4.771 738 HA GLU 98 HA GLU 98 7.282 15.065 7.307 739 HB2 GLU 98 HB2 GLU 98 6.253 16.186 4.720 740 HB3 GLU 98 HB3 GLU 98 5.126 15.504 5.886 741 HG2 GLU 98 HG2 GLU 98 7.081 17.728 6.476 742 HG3 GLU 98 HG3 GLU 98 5.376 17.953 6.084 743 H ASP 99 H ASP 99 5.709 13.478 7.606 744 HA ASP 99 HA ASP 99 6.348 10.958 6.453 745 HB2 ASP 99 HB2 ASP 99 4.509 10.129 7.934 746 HB3 ASP 99 HB3 ASP 99 5.719 11.096 8.771 747 H VAL 100 H VAL 100 5.457 9.903 4.767 748 HA VAL 100 HA VAL 100 3.328 11.098 3.251 749 HB VAL 100 HB VAL 100 5.088 9.910 2.061 750 HG11 VAL 100 HG11 VAL 100 4.096 7.406 3.429 751 HG12 VAL 100 HG12 VAL 100 5.638 8.212 3.721 752 HG13 VAL 100 HG13 VAL 100 5.312 7.473 2.154 753 HG21 VAL 100 HG21 VAL 100 3.712 8.541 0.572 754 HG22 VAL 100 HG22 VAL 100 2.870 10.023 1.023 755 HG23 VAL 100 HG23 VAL 100 2.430 8.492 1.781 756 H LYS 101 H LYS 101 1.297 11.028 3.942 757 HA LYS 101 HA LYS 101 0.381 8.798 5.588 758 HB2 LYS 101 HB2 LYS 101 -0.114 11.017 6.403 759 HB3 LYS 101 HB3 LYS 101 -0.898 11.450 4.891 760 HG2 LYS 101 HG2 LYS 101 -2.781 10.165 5.345 761 HG3 LYS 101 HG3 LYS 101 -1.939 9.171 6.532 762 HD2 LYS 101 HD2 LYS 101 -3.596 10.803 7.491 763 HD3 LYS 101 HD3 LYS 101 -1.966 10.919 8.151 764 HE2 LYS 101 HE2 LYS 101 -2.781 12.683 5.863 765 HE3 LYS 101 HE3 LYS 101 -3.280 13.090 7.504 766 HZ1 LYS 101 HZ1 LYS 101 -1.227 14.202 6.932 767 HZ2 LYS 101 HZ2 LYS 101 -0.475 12.734 6.573 768 HZ3 LYS 101 HZ3 LYS 101 -0.934 13.082 8.163 769 H VAL 102 H VAL 102 -0.181 7.068 4.466 770 HA VAL 102 HA VAL 102 -1.342 7.304 1.809 771 HB VAL 102 HB VAL 102 -0.512 4.847 3.369 772 HG11 VAL 102 HG11 VAL 102 -2.197 4.308 1.690 773 HG12 VAL 102 HG12 VAL 102 -0.620 3.687 1.204 774 HG13 VAL 102 HG13 VAL 102 -1.258 5.149 0.453 775 HG21 VAL 102 HG21 VAL 102 0.923 6.331 1.158 776 HG22 VAL 102 HG22 VAL 102 1.468 4.846 1.937 777 HG23 VAL 102 HG23 VAL 102 1.369 6.342 2.866 778 H ILE 103 H ILE 103 -3.405 7.113 1.358 779 HA ILE 103 HA ILE 103 -5.322 6.327 3.430 780 HB ILE 103 HB ILE 103 -5.697 7.719 0.768 781 HG12 ILE 103 HG12 ILE 103 -4.597 9.126 2.446 782 HG13 ILE 103 HG13 ILE 103 -6.229 9.703 2.130 783 HG21 ILE 103 HG21 ILE 103 -7.668 6.419 1.241 784 HG22 ILE 103 HG22 ILE 103 -8.020 8.125 1.507 785 HG23 ILE 103 HG23 ILE 103 -7.741 7.058 2.883 786 HD11 ILE 103 HD11 ILE 103 -6.998 8.630 4.193 787 HD12 ILE 103 HD12 ILE 103 -5.719 9.807 4.491 788 HD13 ILE 103 HD13 ILE 103 -5.352 8.084 4.510 789 H LEU 104 H LEU 104 -6.491 4.469 3.315 790 HA LEU 104 HA LEU 104 -6.358 2.883 0.823 791 HB2 LEU 104 HB2 LEU 104 -6.748 1.955 3.672 792 HB3 LEU 104 HB3 LEU 104 -6.840 0.910 2.267 793 HG LEU 104 HG LEU 104 -4.388 2.394 3.232 794 HD11 LEU 104 HD11 LEU 104 -3.499 0.134 3.623 795 HD12 LEU 104 HD12 LEU 104 -5.063 -0.548 3.173 796 HD13 LEU 104 HD13 LEU 104 -4.923 0.469 4.607 797 HD21 LEU 104 HD21 LEU 104 -4.709 0.556 0.853 798 HD22 LEU 104 HD22 LEU 104 -3.190 1.236 1.439 799 HD23 LEU 104 HD23 LEU 104 -4.437 2.298 0.785 800 H LYS 105 H LYS 105 -8.144 3.192 -0.332 801 HA LYS 105 HA LYS 105 -10.773 3.142 1.025 802 HB2 LYS 105 HB2 LYS 105 -10.057 4.284 -1.690 803 HB3 LYS 105 HB3 LYS 105 -11.665 4.273 -0.982 804 HG2 LYS 105 HG2 LYS 105 -10.883 5.737 0.825 805 HG3 LYS 105 HG3 LYS 105 -9.269 5.753 0.104 806 HD2 LYS 105 HD2 LYS 105 -10.265 6.701 -1.976 807 HD3 LYS 105 HD3 LYS 105 -11.820 6.792 -1.148 808 HE2 LYS 105 HE2 LYS 105 -9.295 8.207 -0.290 809 HE3 LYS 105 HE3 LYS 105 -10.630 8.948 -1.166 810 HZ1 LYS 105 HZ1 LYS 105 -12.066 8.307 0.754 811 HZ2 LYS 105 HZ2 LYS 105 -10.892 9.474 1.104 812 HZ3 LYS 105 HZ3 LYS 105 -10.663 7.875 1.597 813 H ASN 106 H ASN 106 -12.536 2.063 -0.132 814 HA ASN 106 HA ASN 106 -11.699 -0.431 -1.387 815 HB2 ASN 106 HB2 ASN 106 -14.494 0.575 -0.777 816 HB3 ASN 106 HB3 ASN 106 -14.051 -1.075 -1.210 817 HD21 ASN 106 HD21 ASN 106 -12.952 -2.346 0.316 818 HD22 ASN 106 HD22 ASN 106 -12.952 -1.941 1.993 819 H SER 107 H SER 107 -13.237 -1.188 -3.266 820 HA SER 107 HA SER 107 -12.923 0.587 -5.507 821 HB2 SER 107 HB2 SER 107 -12.715 -1.825 -5.817 822 HB3 SER 107 HB3 SER 107 -14.366 -2.072 -5.258 823 HG SER 107 HG SER 107 -15.132 -1.095 -7.096 824 H GLN 108 H GLN 108 -14.689 1.589 -3.384 825 HA GLN 108 HA GLN 108 -17.209 1.914 -4.886 826 HB2 GLN 108 HB2 GLN 108 -16.905 1.693 -1.876 827 HB3 GLN 108 HB3 GLN 108 -18.412 1.977 -2.737 828 HG2 GLN 108 HG2 GLN 108 -18.230 -0.225 -3.793 829 HG3 GLN 108 HG3 GLN 108 -16.715 -0.510 -2.937 830 HE21 GLN 108 HE21 GLN 108 -16.774 -0.937 -0.714 831 HE22 GLN 108 HE22 GLN 108 -18.239 -1.329 0.106 832 H GLY 109 H GLY 109 -14.895 3.324 -2.621 833 HA2 GLY 109 HA2 GLY 109 -14.483 5.784 -3.131 834 HA3 GLY 109 HA3 GLY 109 -16.214 5.958 -2.883 835 H GLU 110 H GLU 110 -16.337 4.042 -0.727 836 HA GLU 110 HA GLU 110 -15.736 5.711 1.487 837 HB2 GLU 110 HB2 GLU 110 -16.451 3.696 2.835 838 HB3 GLU 110 HB3 GLU 110 -17.626 4.281 1.665 839 HG2 GLU 110 HG2 GLU 110 -16.850 2.499 0.097 840 HG3 GLU 110 HG3 GLU 110 -15.841 1.869 1.398 841 H GLU 111 H GLU 111 -14.467 4.936 3.421 842 HA GLU 111 HA GLU 111 -11.841 3.937 2.490 843 HB2 GLU 111 HB2 GLU 111 -11.975 6.408 2.736 844 HB3 GLU 111 HB3 GLU 111 -12.383 6.194 4.430 845 HG2 GLU 111 HG2 GLU 111 -10.204 5.195 4.845 846 HG3 GLU 111 HG3 GLU 111 -9.796 5.345 3.134 847 H VAL 112 H VAL 112 -10.686 2.590 3.849 848 HA VAL 112 HA VAL 112 -12.106 1.722 6.297 849 HB VAL 112 HB VAL 112 -11.034 -0.503 5.961 850 HG11 VAL 112 HG11 VAL 112 -12.510 -1.203 4.117 851 HG12 VAL 112 HG12 VAL 112 -12.780 0.490 3.704 852 HG13 VAL 112 HG13 VAL 112 -13.327 -0.135 5.258 853 HG21 VAL 112 HG21 VAL 112 -10.070 -1.043 3.767 854 HG22 VAL 112 HG22 VAL 112 -9.128 0.196 4.594 855 HG23 VAL 112 HG23 VAL 112 -10.216 0.645 3.282 856 H ALA 113 H ALA 113 -8.914 2.596 5.035 857 HA ALA 113 HA ALA 113 -7.875 2.606 7.766 858 HB1 ALA 113 HB1 ALA 113 -6.563 0.956 5.604 859 HB2 ALA 113 HB2 ALA 113 -7.433 0.328 7.004 860 HB3 ALA 113 HB3 ALA 113 -5.932 1.225 7.229 861 H GLN 114 H GLN 114 -5.742 3.588 7.970 862 HA GLN 114 HA GLN 114 -4.497 4.948 5.787 863 HB2 GLN 114 HB2 GLN 114 -4.921 7.245 6.482 864 HB3 GLN 114 HB3 GLN 114 -6.443 6.441 6.129 865 HG2 GLN 114 HG2 GLN 114 -6.833 6.125 8.533 866 HG3 GLN 114 HG3 GLN 114 -5.300 6.920 8.881 867 HE21 GLN 114 HE21 GLN 114 -7.559 7.931 6.379 868 HE22 GLN 114 HE22 GLN 114 -7.983 9.426 7.130 869 H ARG 115 H ARG 115 -2.364 5.381 6.299 870 HA ARG 115 HA ARG 115 -1.540 6.093 8.944 871 HB2 ARG 115 HB2 ARG 115 -1.867 3.544 9.047 872 HB3 ARG 115 HB3 ARG 115 -0.446 3.435 8.015 873 HG2 ARG 115 HG2 ARG 115 0.937 4.434 9.674 874 HG3 ARG 115 HG3 ARG 115 -0.457 4.885 10.657 875 HD2 ARG 115 HD2 ARG 115 -0.940 2.429 10.922 876 HD3 ARG 115 HD3 ARG 115 0.608 2.106 10.134 877 HE ARG 115 HE ARG 115 1.445 3.664 12.065 878 HH11 ARG 115 HH11 ARG 115 -0.927 1.165 12.279 879 HH12 ARG 115 HH12 ARG 115 -0.619 0.885 13.957 880 HH21 ARG 115 HH21 ARG 115 1.811 3.301 14.195 881 HH22 ARG 115 HH22 ARG 115 0.928 2.063 15.024 882 H SER 116 H SER 116 0.947 6.268 9.083 883 HA SER 116 HA SER 116 2.023 7.013 6.429 884 HB2 SER 116 HB2 SER 116 2.930 9.078 7.422 885 HB3 SER 116 HB3 SER 116 1.173 9.022 7.545 886 HG SER 116 HG SER 116 2.298 9.685 9.491 887 H THR 117 H THR 117 4.449 7.948 6.990 888 HA THR 117 HA THR 117 5.937 5.601 7.784 889 HB THR 117 HB THR 117 7.953 7.035 7.240 890 HG1 THR 117 HG1 THR 117 7.244 9.097 7.498 891 HG21 THR 117 HG21 THR 117 5.829 6.772 5.104 892 HG22 THR 117 HG22 THR 117 7.018 5.549 5.552 893 HG23 THR 117 HG23 THR 117 7.544 7.058 4.806 894 H VAL 118 H VAL 118 6.767 5.197 9.732 895 HA VAL 118 HA VAL 118 6.932 7.304 11.751 896 HB VAL 118 HB VAL 118 7.550 4.349 12.022 897 HG11 VAL 118 HG11 VAL 118 8.653 5.656 13.737 898 HG12 VAL 118 HG12 VAL 118 7.299 4.780 14.451 899 HG13 VAL 118 HG13 VAL 118 7.151 6.505 14.103 900 HG21 VAL 118 HG21 VAL 118 5.341 4.173 13.101 901 HG22 VAL 118 HG22 VAL 118 5.214 4.670 11.413 902 HG23 VAL 118 HG23 VAL 118 5.020 5.861 12.701 903 H PHE 119 H PHE 119 8.717 8.563 11.460 904 HA PHE 119 HA PHE 119 11.173 7.635 10.372 905 HB2 PHE 119 HB2 PHE 119 10.507 10.167 11.894 906 HB3 PHE 119 HB3 PHE 119 12.063 9.861 11.128 907 HD1 PHE 119 HD1 PHE 119 12.260 9.776 8.687 908 HD2 PHE 119 HD2 PHE 119 8.562 10.721 10.582 909 HE1 PHE 119 HE1 PHE 119 11.398 10.648 6.557 910 HE2 PHE 119 HE2 PHE 119 7.696 11.591 8.450 911 HZ PHE 119 HZ PHE 119 9.111 11.556 6.436 912 H LYS 120 H LYS 120 12.368 6.162 11.378 913 HA LYS 120 HA LYS 120 12.393 5.893 14.249 914 HB2 LYS 120 HB2 LYS 120 13.931 4.379 12.122 915 HB3 LYS 120 HB3 LYS 120 13.788 3.914 13.814 916 HG2 LYS 120 HG2 LYS 120 11.391 3.596 13.555 917 HG3 LYS 120 HG3 LYS 120 11.480 4.142 11.881 918 HD2 LYS 120 HD2 LYS 120 12.922 2.219 11.343 919 HD3 LYS 120 HD3 LYS 120 12.809 1.672 13.018 920 HE2 LYS 120 HE2 LYS 120 10.368 1.437 12.760 921 HE3 LYS 120 HE3 LYS 120 10.502 1.966 11.083 922 HZ1 LYS 120 HZ1 LYS 120 11.720 -0.485 12.237 923 HZ2 LYS 120 HZ2 LYS 120 11.879 0.026 10.632 924 HZ3 LYS 120 HZ3 LYS 120 10.362 -0.427 11.225 925 H THR 121 H THR 121 13.543 7.330 15.372 926 HA THR 121 HA THR 121 15.903 8.638 14.403 927 HB THR 121 HB THR 121 14.848 8.546 17.248 928 HG1 THR 121 HG1 THR 121 14.406 10.785 15.645 929 HG21 THR 121 HG21 THR 121 17.157 9.356 17.102 930 HG22 THR 121 HG22 THR 121 16.057 10.670 17.517 931 HG23 THR 121 HG23 THR 121 16.678 10.526 15.873 932 H THR 122 H THR 122 17.765 7.530 14.168 933 HA THR 122 HA THR 122 18.959 6.247 16.491 934 HB THR 122 HB THR 122 18.494 4.648 13.956 935 HG1 THR 122 HG1 THR 122 17.131 4.851 16.285 936 HG21 THR 122 HG21 THR 122 20.724 4.186 14.835 937 HG22 THR 122 HG22 THR 122 19.659 2.813 15.137 938 HG23 THR 122 HG23 THR 122 20.058 3.926 16.447 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -16.350 -31.164 -25.177 2 H2 MET 1 H2 MET 1 -15.052 -30.572 -24.274 3 H3 MET 1 H3 MET 1 -14.996 -30.522 -25.961 4 HA MET 1 HA MET 1 -15.462 -28.338 -25.084 5 HB2 MET 1 HB2 MET 1 -17.961 -29.498 -26.341 6 HB3 MET 1 HB3 MET 1 -17.393 -27.837 -26.444 7 HG2 MET 1 HG2 MET 1 -16.974 -28.982 -28.523 8 HG3 MET 1 HG3 MET 1 -15.442 -28.600 -27.734 9 HE1 MET 1 HE1 MET 1 -15.806 -30.759 -30.134 10 HE2 MET 1 HE2 MET 1 -14.733 -32.033 -29.553 11 HE3 MET 1 HE3 MET 1 -14.252 -30.342 -29.410 12 H GLY 2 H GLY 2 -17.073 -26.901 -24.049 13 HA2 GLY 2 HA2 GLY 2 -18.910 -26.432 -22.680 14 HA3 GLY 2 HA3 GLY 2 -19.173 -28.150 -22.457 15 H HIS 3 H HIS 3 -16.013 -27.894 -21.770 16 HA HIS 3 HA HIS 3 -16.577 -27.974 -18.921 17 HB2 HIS 3 HB2 HIS 3 -13.949 -28.389 -20.369 18 HB3 HIS 3 HB3 HIS 3 -14.260 -28.729 -18.671 19 HD1 HIS 3 HD1 HIS 3 -15.902 -30.780 -18.173 20 HD2 HIS 3 HD2 HIS 3 -14.664 -30.383 -22.121 21 HE1 HIS 3 HE1 HIS 3 -16.403 -32.984 -19.264 22 HE2 HIS 3 HE2 HIS 3 -15.518 -32.765 -21.603 23 H HIS 4 H HIS 4 -17.062 -25.785 -18.453 24 HA HIS 4 HA HIS 4 -14.857 -24.300 -17.508 25 HB2 HIS 4 HB2 HIS 4 -15.067 -22.258 -18.896 26 HB3 HIS 4 HB3 HIS 4 -14.513 -23.644 -19.823 27 HD1 HIS 4 HD1 HIS 4 -17.225 -21.140 -19.621 28 HD2 HIS 4 HD2 HIS 4 -16.455 -24.676 -21.670 29 HE1 HIS 4 HE1 HIS 4 -18.880 -21.201 -21.506 30 HE2 HIS 4 HE2 HIS 4 -18.263 -23.238 -22.841 31 H HIS 5 H HIS 5 -15.792 -23.883 -15.587 32 HA HIS 5 HA HIS 5 -18.143 -22.104 -15.584 33 HB2 HIS 5 HB2 HIS 5 -17.781 -24.516 -13.783 34 HB3 HIS 5 HB3 HIS 5 -19.011 -23.279 -13.552 35 HD1 HIS 5 HD1 HIS 5 -18.499 -26.475 -15.114 36 HD2 HIS 5 HD2 HIS 5 -20.843 -23.139 -15.899 37 HE1 HIS 5 HE1 HIS 5 -20.284 -27.269 -16.682 38 HE2 HIS 5 HE2 HIS 5 -21.813 -25.297 -16.940 39 H HIS 6 H HIS 6 -18.244 -20.636 -13.799 40 HA HIS 6 HA HIS 6 -15.834 -20.479 -12.116 41 HB2 HIS 6 HB2 HIS 6 -16.888 -18.201 -13.811 42 HB3 HIS 6 HB3 HIS 6 -15.600 -18.066 -12.620 43 HD1 HIS 6 HD1 HIS 6 -16.128 -18.636 -16.133 44 HD2 HIS 6 HD2 HIS 6 -13.307 -19.846 -13.335 45 HE1 HIS 6 HE1 HIS 6 -14.149 -19.410 -17.465 46 HE2 HIS 6 HE2 HIS 6 -12.540 -20.312 -15.759 47 H HIS 7 H HIS 7 -16.030 -18.944 -10.309 48 HA HIS 7 HA HIS 7 -18.833 -18.686 -9.396 49 HB2 HIS 7 HB2 HIS 7 -17.749 -20.554 -8.270 50 HB3 HIS 7 HB3 HIS 7 -16.409 -19.525 -7.784 51 HD1 HIS 7 HD1 HIS 7 -16.791 -17.932 -5.791 52 HD2 HIS 7 HD2 HIS 7 -20.100 -20.263 -6.744 53 HE1 HIS 7 HE1 HIS 7 -18.357 -17.704 -3.850 54 HE2 HIS 7 HE2 HIS 7 -20.225 -19.304 -4.342 55 H HIS 8 H HIS 8 -19.248 -16.531 -9.473 56 HA HIS 8 HA HIS 8 -17.406 -14.493 -8.682 57 HB2 HIS 8 HB2 HIS 8 -20.402 -14.535 -9.067 58 HB3 HIS 8 HB3 HIS 8 -19.558 -13.091 -8.518 59 HD1 HIS 8 HD1 HIS 8 -19.294 -11.541 -10.407 60 HD2 HIS 8 HD2 HIS 8 -18.867 -15.487 -11.625 61 HE1 HIS 8 HE1 HIS 8 -18.778 -11.434 -12.853 62 HE2 HIS 8 HE2 HIS 8 -18.724 -13.828 -13.601 63 H SER 9 H SER 9 -16.658 -14.271 -6.656 64 HA SER 9 HA SER 9 -18.236 -15.329 -4.411 65 HB2 SER 9 HB2 SER 9 -15.314 -14.524 -4.510 66 HB3 SER 9 HB3 SER 9 -16.123 -15.352 -3.178 67 HG SER 9 HG SER 9 -15.244 -16.983 -4.297 68 H HIS 10 H HIS 10 -18.153 -14.175 -2.311 69 HA HIS 10 HA HIS 10 -17.747 -11.263 -2.529 70 HB2 HIS 10 HB2 HIS 10 -20.211 -12.680 -1.560 71 HB3 HIS 10 HB3 HIS 10 -19.782 -11.116 -0.881 72 HD1 HIS 10 HD1 HIS 10 -20.415 -9.084 -2.214 73 HD2 HIS 10 HD2 HIS 10 -20.756 -12.594 -4.410 74 HE1 HIS 10 HE1 HIS 10 -21.550 -8.428 -4.348 75 HE2 HIS 10 HE2 HIS 10 -21.600 -10.530 -5.723 76 H MET 11 H MET 11 -15.764 -11.579 -1.459 77 HA MET 11 HA MET 11 -16.037 -11.728 1.467 78 HB2 MET 11 HB2 MET 11 -13.895 -13.154 -0.142 79 HB3 MET 11 HB3 MET 11 -13.867 -12.965 1.606 80 HG2 MET 11 HG2 MET 11 -16.008 -14.426 0.065 81 HG3 MET 11 HG3 MET 11 -14.636 -15.191 0.866 82 HE1 MET 11 HE1 MET 11 -15.345 -14.501 4.628 83 HE2 MET 11 HE2 MET 11 -14.324 -13.565 3.540 84 HE3 MET 11 HE3 MET 11 -14.309 -15.327 3.465 85 H THR 12 H THR 12 -15.494 -9.706 2.106 86 HA THR 12 HA THR 12 -13.999 -7.908 0.506 87 HB THR 12 HB THR 12 -15.625 -7.040 2.088 88 HG1 THR 12 HG1 THR 12 -13.023 -6.200 2.912 89 HG21 THR 12 HG21 THR 12 -15.232 -7.050 4.502 90 HG22 THR 12 HG22 THR 12 -13.762 -7.996 4.272 91 HG23 THR 12 HG23 THR 12 -15.332 -8.699 3.883 92 H GLY 13 H GLY 13 -13.048 -9.910 3.276 93 HA2 GLY 13 HA2 GLY 13 -10.957 -10.446 4.092 94 HA3 GLY 13 HA3 GLY 13 -10.271 -9.751 2.633 95 H ASN 14 H ASN 14 -8.665 -9.201 4.519 96 HA ASN 14 HA ASN 14 -9.213 -6.418 5.270 97 HB2 ASN 14 HB2 ASN 14 -8.240 -8.513 7.237 98 HB3 ASN 14 HB3 ASN 14 -8.298 -6.782 7.553 99 HD21 ASN 14 HD21 ASN 14 -10.155 -9.682 7.205 100 HD22 ASN 14 HD22 ASN 14 -11.645 -9.034 7.783 101 H VAL 15 H VAL 15 -7.725 -5.665 3.791 102 HA VAL 15 HA VAL 15 -4.912 -6.492 4.144 103 HB VAL 15 HB VAL 15 -6.140 -4.955 1.836 104 HG11 VAL 15 HG11 VAL 15 -3.382 -6.153 2.159 105 HG12 VAL 15 HG12 VAL 15 -3.777 -4.434 2.161 106 HG13 VAL 15 HG13 VAL 15 -4.005 -5.389 0.697 107 HG21 VAL 15 HG21 VAL 15 -5.304 -7.857 1.978 108 HG22 VAL 15 HG22 VAL 15 -5.887 -7.017 0.541 109 HG23 VAL 15 HG23 VAL 15 -6.963 -7.262 1.916 110 H CYS 16 H CYS 16 -3.985 -5.209 5.655 111 HA CYS 16 HA CYS 16 -4.463 -2.286 5.515 112 HB2 CYS 16 HB2 CYS 16 -4.108 -2.185 7.931 113 HB3 CYS 16 HB3 CYS 16 -5.413 -3.304 7.552 114 HG CYS 16 HG CYS 16 -2.284 -4.556 7.976 115 H ILE 17 H ILE 17 -2.677 -0.896 6.086 116 HA ILE 17 HA ILE 17 -0.118 -1.852 5.194 117 HB ILE 17 HB ILE 17 -0.842 0.812 6.452 118 HG12 ILE 17 HG12 ILE 17 -0.505 0.049 3.535 119 HG13 ILE 17 HG13 ILE 17 -2.040 0.375 4.334 120 HG21 ILE 17 HG21 ILE 17 1.633 -0.011 4.925 121 HG22 ILE 17 HG22 ILE 17 1.543 0.326 6.655 122 HG23 ILE 17 HG23 ILE 17 1.263 1.620 5.488 123 HD11 ILE 17 HD11 ILE 17 -1.344 2.681 4.728 124 HD12 ILE 17 HD12 ILE 17 -1.313 2.274 3.013 125 HD13 ILE 17 HD13 ILE 17 0.193 2.356 3.927 126 H GLU 18 H GLU 18 1.374 -2.834 6.424 127 HA GLU 18 HA GLU 18 1.178 -2.820 9.320 128 HB2 GLU 18 HB2 GLU 18 1.751 -4.888 8.085 129 HB3 GLU 18 HB3 GLU 18 3.226 -4.126 7.502 130 HG2 GLU 18 HG2 GLU 18 4.032 -3.938 9.819 131 HG3 GLU 18 HG3 GLU 18 2.560 -4.727 10.385 132 H GLU 19 H GLU 19 3.263 -1.438 6.832 133 HA GLU 19 HA GLU 19 4.201 0.615 8.582 134 HB2 GLU 19 HB2 GLU 19 5.656 -1.185 9.386 135 HB3 GLU 19 HB3 GLU 19 6.195 -1.508 7.745 136 HG2 GLU 19 HG2 GLU 19 7.133 0.807 7.670 137 HG3 GLU 19 HG3 GLU 19 6.728 0.971 9.378 138 H ILE 20 H ILE 20 5.109 2.336 7.464 139 HA ILE 20 HA ILE 20 5.499 1.985 4.551 140 HB ILE 20 HB ILE 20 4.897 4.575 6.011 141 HG12 ILE 20 HG12 ILE 20 3.048 2.820 4.362 142 HG13 ILE 20 HG13 ILE 20 2.977 3.015 6.109 143 HG21 ILE 20 HG21 ILE 20 4.477 5.457 3.741 144 HG22 ILE 20 HG22 ILE 20 4.975 3.911 3.056 145 HG23 ILE 20 HG23 ILE 20 6.138 4.903 3.935 146 HD11 ILE 20 HD11 ILE 20 2.499 5.173 4.065 147 HD12 ILE 20 HD12 ILE 20 2.432 5.378 5.817 148 HD13 ILE 20 HD13 ILE 20 1.270 4.328 5.005 149 H ASP 21 H ASP 21 7.487 2.448 3.705 150 HA ASP 21 HA ASP 21 9.704 2.650 5.444 151 HB2 ASP 21 HB2 ASP 21 9.837 1.532 3.273 152 HB3 ASP 21 HB3 ASP 21 9.556 3.062 2.448 153 H VAL 22 H VAL 22 10.743 4.353 6.294 154 HA VAL 22 HA VAL 22 9.686 7.014 5.840 155 HB VAL 22 HB VAL 22 10.201 6.079 8.119 156 HG11 VAL 22 HG11 VAL 22 13.079 6.572 7.342 157 HG12 VAL 22 HG12 VAL 22 12.330 4.993 7.570 158 HG13 VAL 22 HG13 VAL 22 12.493 6.094 8.938 159 HG21 VAL 22 HG21 VAL 22 11.107 8.181 9.025 160 HG22 VAL 22 HG22 VAL 22 9.857 8.467 7.816 161 HG23 VAL 22 HG23 VAL 22 11.557 8.686 7.399 162 H ASP 23 H ASP 23 11.480 5.591 3.815 163 HA ASP 23 HA ASP 23 13.276 7.893 3.366 164 HB2 ASP 23 HB2 ASP 23 14.599 5.880 3.745 165 HB3 ASP 23 HB3 ASP 23 13.669 5.002 2.536 166 H GLY 24 H GLY 24 11.499 5.311 1.659 167 HA2 GLY 24 HA2 GLY 24 9.648 6.450 0.239 168 HA3 GLY 24 HA3 GLY 24 11.023 7.157 -0.591 169 H LYS 25 H LYS 25 11.553 3.958 0.507 170 HA LYS 25 HA LYS 25 11.865 3.052 -2.196 171 HB2 LYS 25 HB2 LYS 25 12.101 1.540 0.415 172 HB3 LYS 25 HB3 LYS 25 12.595 0.928 -1.159 173 HG2 LYS 25 HG2 LYS 25 14.259 2.718 -1.337 174 HG3 LYS 25 HG3 LYS 25 13.764 3.334 0.240 175 HD2 LYS 25 HD2 LYS 25 14.438 1.211 1.279 176 HD3 LYS 25 HD3 LYS 25 14.938 0.600 -0.300 177 HE2 LYS 25 HE2 LYS 25 16.864 1.394 0.979 178 HE3 LYS 25 HE3 LYS 25 16.615 2.385 -0.460 179 HZ1 LYS 25 HZ1 LYS 25 15.802 3.089 2.310 180 HZ2 LYS 25 HZ2 LYS 25 15.503 4.033 0.938 181 HZ3 LYS 25 HZ3 LYS 25 17.092 3.764 1.447 182 H PHE 26 H PHE 26 9.673 2.034 0.471 183 HA PHE 26 HA PHE 26 7.742 1.055 -1.456 184 HB2 PHE 26 HB2 PHE 26 7.758 -1.277 -0.575 185 HB3 PHE 26 HB3 PHE 26 9.236 -0.838 -1.421 186 HD1 PHE 26 HD1 PHE 26 7.756 -1.567 1.870 187 HD2 PHE 26 HD2 PHE 26 11.341 -0.696 -0.265 188 HE1 PHE 26 HE1 PHE 26 9.085 -2.261 3.819 189 HE2 PHE 26 HE2 PHE 26 12.672 -1.386 1.683 190 HZ PHE 26 HZ PHE 26 11.546 -2.168 3.728 191 H ILE 27 H ILE 27 5.745 0.345 -0.564 192 HA ILE 27 HA ILE 27 5.245 1.125 2.248 193 HB ILE 27 HB ILE 27 3.248 1.012 -0.038 194 HG12 ILE 27 HG12 ILE 27 4.495 3.430 1.314 195 HG13 ILE 27 HG13 ILE 27 4.900 2.848 -0.295 196 HG21 ILE 27 HG21 ILE 27 2.950 2.027 2.796 197 HG22 ILE 27 HG22 ILE 27 2.225 0.564 2.129 198 HG23 ILE 27 HG23 ILE 27 1.728 2.144 1.528 199 HD11 ILE 27 HD11 ILE 27 3.412 4.753 -0.401 200 HD12 ILE 27 HD12 ILE 27 2.218 3.900 0.575 201 HD13 ILE 27 HD13 ILE 27 2.622 3.310 -1.037 202 H ARG 28 H ARG 28 4.721 -0.519 3.615 203 HA ARG 28 HA ARG 28 4.423 -3.191 2.452 204 HB2 ARG 28 HB2 ARG 28 6.183 -2.779 4.147 205 HB3 ARG 28 HB3 ARG 28 4.937 -2.364 5.318 206 HG2 ARG 28 HG2 ARG 28 4.003 -4.705 4.911 207 HG3 ARG 28 HG3 ARG 28 5.533 -5.044 4.099 208 HD2 ARG 28 HD2 ARG 28 5.172 -4.152 6.963 209 HD3 ARG 28 HD3 ARG 28 5.620 -5.768 6.419 210 HE ARG 28 HE ARG 28 7.404 -3.610 5.641 211 HH11 ARG 28 HH11 ARG 28 6.716 -6.101 7.924 212 HH12 ARG 28 HH12 ARG 28 8.362 -6.215 8.449 213 HH21 ARG 28 HH21 ARG 28 9.498 -3.744 6.363 214 HH22 ARG 28 HH22 ARG 28 9.907 -4.901 7.583 215 H LEU 29 H LEU 29 2.318 -3.688 2.017 216 HA LEU 29 HA LEU 29 0.312 -3.282 4.137 217 HB2 LEU 29 HB2 LEU 29 0.025 -4.063 1.233 218 HB3 LEU 29 HB3 LEU 29 -1.305 -4.124 2.373 219 HG LEU 29 HG LEU 29 -0.924 -1.642 2.771 220 HD11 LEU 29 HD11 LEU 29 1.335 -1.486 1.862 221 HD12 LEU 29 HD12 LEU 29 0.232 -0.395 1.024 222 HD13 LEU 29 HD13 LEU 29 0.729 -1.904 0.260 223 HD21 LEU 29 HD21 LEU 29 -2.784 -2.489 1.454 224 HD22 LEU 29 HD22 LEU 29 -1.761 -2.551 0.017 225 HD23 LEU 29 HD23 LEU 29 -2.156 -0.999 0.754 226 H LYS 30 H LYS 30 -1.308 -5.183 4.354 227 HA LYS 30 HA LYS 30 -0.152 -7.827 4.056 228 HB2 LYS 30 HB2 LYS 30 1.013 -7.047 6.043 229 HB3 LYS 30 HB3 LYS 30 -0.505 -6.565 6.784 230 HG2 LYS 30 HG2 LYS 30 -1.200 -8.904 6.915 231 HG3 LYS 30 HG3 LYS 30 0.297 -9.401 6.124 232 HD2 LYS 30 HD2 LYS 30 0.429 -9.703 8.558 233 HD3 LYS 30 HD3 LYS 30 1.602 -8.514 7.990 234 HE2 LYS 30 HE2 LYS 30 0.091 -6.703 8.683 235 HE3 LYS 30 HE3 LYS 30 -1.067 -7.898 9.268 236 HZ1 LYS 30 HZ1 LYS 30 0.327 -6.955 11.031 237 HZ2 LYS 30 HZ2 LYS 30 1.704 -7.591 10.282 238 HZ3 LYS 30 HZ3 LYS 30 0.516 -8.630 10.898 239 H ASN 31 H ASN 31 -1.741 -9.249 3.709 240 HA ASN 31 HA ASN 31 -4.504 -8.587 4.406 241 HB2 ASN 31 HB2 ASN 31 -4.126 -9.426 2.154 242 HB3 ASN 31 HB3 ASN 31 -3.319 -10.859 2.782 243 HD21 ASN 31 HD21 ASN 31 -4.753 -12.239 1.758 244 HD22 ASN 31 HD22 ASN 31 -6.384 -12.440 2.290 245 H THR 32 H THR 32 -5.196 -9.148 6.383 246 HA THR 32 HA THR 32 -4.026 -11.505 7.716 247 HB THR 32 HB THR 32 -3.890 -9.435 9.003 248 HG1 THR 32 HG1 THR 32 -5.917 -10.832 10.363 249 HG21 THR 32 HG21 THR 32 -5.894 -8.298 9.834 250 HG22 THR 32 HG22 THR 32 -6.912 -9.394 8.898 251 HG23 THR 32 HG23 THR 32 -5.838 -8.267 8.071 252 H SER 33 H SER 33 -6.301 -11.424 5.639 253 HA SER 33 HA SER 33 -8.617 -12.362 7.088 254 HB2 SER 33 HB2 SER 33 -8.836 -11.169 4.923 255 HB3 SER 33 HB3 SER 33 -8.046 -12.524 4.114 256 HG SER 33 HG SER 33 -10.205 -12.905 3.924 257 H GLU 34 H GLU 34 -9.592 -14.523 5.874 258 HA GLU 34 HA GLU 34 -7.928 -16.622 6.978 259 HB2 GLU 34 HB2 GLU 34 -10.662 -16.788 5.697 260 HB3 GLU 34 HB3 GLU 34 -9.866 -18.070 6.598 261 HG2 GLU 34 HG2 GLU 34 -9.903 -16.614 8.607 262 HG3 GLU 34 HG3 GLU 34 -10.833 -15.432 7.685 263 H GLN 35 H GLN 35 -9.052 -15.689 3.757 264 HA GLN 35 HA GLN 35 -7.542 -17.945 2.603 265 HB2 GLN 35 HB2 GLN 35 -10.025 -18.384 2.750 266 HB3 GLN 35 HB3 GLN 35 -10.271 -17.038 1.649 267 HG2 GLN 35 HG2 GLN 35 -8.981 -18.212 -0.073 268 HG3 GLN 35 HG3 GLN 35 -8.734 -19.562 1.036 269 HE21 GLN 35 HE21 GLN 35 -9.807 -21.038 -0.276 270 HE22 GLN 35 HE22 GLN 35 -11.515 -20.995 -0.520 271 H ASP 36 H ASP 36 -7.237 -17.666 0.177 272 HA ASP 36 HA ASP 36 -5.897 -15.368 -0.541 273 HB2 ASP 36 HB2 ASP 36 -7.396 -17.273 -2.364 274 HB3 ASP 36 HB3 ASP 36 -6.146 -16.147 -2.878 275 H GLN 37 H GLN 37 -6.759 -13.360 -0.392 276 HA GLN 37 HA GLN 37 -9.513 -12.831 -1.194 277 HB2 GLN 37 HB2 GLN 37 -7.431 -11.023 0.057 278 HB3 GLN 37 HB3 GLN 37 -9.103 -10.571 -0.258 279 HG2 GLN 37 HG2 GLN 37 -8.212 -12.788 1.575 280 HG3 GLN 37 HG3 GLN 37 -8.705 -11.175 2.083 281 HE21 GLN 37 HE21 GLN 37 -10.853 -10.994 0.123 282 HE22 GLN 37 HE22 GLN 37 -12.104 -12.026 0.693 283 HA PRO 38 HA PRO 38 -8.436 -11.244 -5.253 284 HB2 PRO 38 HB2 PRO 38 -10.901 -9.608 -4.926 285 HB3 PRO 38 HB3 PRO 38 -10.477 -10.763 -6.196 286 HG2 PRO 38 HG2 PRO 38 -12.300 -11.384 -4.350 287 HG3 PRO 38 HG3 PRO 38 -11.145 -12.601 -4.927 288 HD2 PRO 38 HD2 PRO 38 -11.102 -11.004 -2.380 289 HD3 PRO 38 HD3 PRO 38 -10.754 -12.729 -2.634 290 H MET 39 H MET 39 -6.774 -9.807 -5.303 291 HA MET 39 HA MET 39 -6.622 -7.483 -3.670 292 HB2 MET 39 HB2 MET 39 -4.651 -8.735 -4.510 293 HB3 MET 39 HB3 MET 39 -5.008 -8.179 -6.136 294 HG2 MET 39 HG2 MET 39 -3.279 -6.798 -5.374 295 HG3 MET 39 HG3 MET 39 -4.735 -5.819 -5.240 296 HE1 MET 39 HE1 MET 39 -5.231 -5.363 -1.453 297 HE2 MET 39 HE2 MET 39 -6.161 -6.356 -2.574 298 HE3 MET 39 HE3 MET 39 -5.592 -4.763 -3.071 299 H GLY 40 H GLY 40 -7.832 -8.051 -6.896 300 HA2 GLY 40 HA2 GLY 40 -7.797 -5.342 -7.797 301 HA3 GLY 40 HA3 GLY 40 -8.692 -6.668 -8.518 302 H GLY 41 H GLY 41 -8.763 -4.404 -5.789 303 HA2 GLY 41 HA2 GLY 41 -11.393 -3.513 -6.366 304 HA3 GLY 41 HA3 GLY 41 -11.447 -4.683 -5.057 305 H TRP 42 H TRP 42 -8.557 -2.874 -5.155 306 HA TRP 42 HA TRP 42 -9.527 -1.050 -3.039 307 HB2 TRP 42 HB2 TRP 42 -6.888 -2.548 -3.127 308 HB3 TRP 42 HB3 TRP 42 -7.325 -1.351 -1.917 309 HD1 TRP 42 HD1 TRP 42 -8.840 -4.709 -3.196 310 HE1 TRP 42 HE1 TRP 42 -9.689 -6.013 -1.147 311 HE3 TRP 42 HE3 TRP 42 -7.670 -1.325 0.456 312 HZ2 TRP 42 HZ2 TRP 42 -9.839 -5.660 1.649 313 HZ3 TRP 42 HZ3 TRP 42 -8.192 -1.892 2.796 314 HH2 TRP 42 HH2 TRP 42 -9.253 -4.016 3.378 315 H GLU 43 H GLU 43 -8.160 0.919 -2.768 316 HA GLU 43 HA GLU 43 -6.342 1.537 -4.971 317 HB2 GLU 43 HB2 GLU 43 -8.629 2.314 -5.663 318 HB3 GLU 43 HB3 GLU 43 -8.626 3.406 -4.284 319 HG2 GLU 43 HG2 GLU 43 -6.774 4.638 -5.173 320 HG3 GLU 43 HG3 GLU 43 -6.542 3.458 -6.462 321 H MET 44 H MET 44 -4.666 2.794 -4.392 322 HA MET 44 HA MET 44 -4.502 3.673 -1.590 323 HB2 MET 44 HB2 MET 44 -2.781 2.102 -2.294 324 HB3 MET 44 HB3 MET 44 -2.359 3.121 -3.661 325 HG2 MET 44 HG2 MET 44 -1.588 4.862 -2.120 326 HG3 MET 44 HG3 MET 44 -2.004 3.828 -0.756 327 HE1 MET 44 HE1 MET 44 -0.419 2.773 -4.200 328 HE2 MET 44 HE2 MET 44 1.301 2.798 -3.816 329 HE3 MET 44 HE3 MET 44 0.386 4.304 -3.860 330 H ILE 45 H ILE 45 -4.762 5.797 -1.191 331 HA ILE 45 HA ILE 45 -3.958 7.764 -3.246 332 HB ILE 45 HB ILE 45 -5.837 8.124 -0.892 333 HG12 ILE 45 HG12 ILE 45 -7.488 8.641 -2.796 334 HG13 ILE 45 HG13 ILE 45 -6.307 7.907 -3.873 335 HG21 ILE 45 HG21 ILE 45 -6.259 10.376 -1.826 336 HG22 ILE 45 HG22 ILE 45 -4.959 10.111 -2.989 337 HG23 ILE 45 HG23 ILE 45 -4.600 10.168 -1.263 338 HD11 ILE 45 HD11 ILE 45 -8.084 6.360 -3.246 339 HD12 ILE 45 HD12 ILE 45 -7.641 6.533 -1.547 340 HD13 ILE 45 HD13 ILE 45 -6.509 5.802 -2.686 341 H ARG 46 H ARG 46 -2.043 8.758 -2.885 342 HA ARG 46 HA ARG 46 -0.865 8.682 -0.207 343 HB2 ARG 46 HB2 ARG 46 0.553 8.040 -2.095 344 HB3 ARG 46 HB3 ARG 46 0.292 9.608 -2.851 345 HG2 ARG 46 HG2 ARG 46 1.404 10.680 -0.902 346 HG3 ARG 46 HG3 ARG 46 1.755 9.074 -0.266 347 HD2 ARG 46 HD2 ARG 46 3.069 8.566 -2.274 348 HD3 ARG 46 HD3 ARG 46 2.709 10.169 -2.917 349 HE ARG 46 HE ARG 46 4.312 9.673 -0.489 350 HH11 ARG 46 HH11 ARG 46 3.653 11.487 -3.347 351 HH12 ARG 46 HH12 ARG 46 4.896 12.652 -3.027 352 HH21 ARG 46 HH21 ARG 46 5.939 11.162 -0.115 353 HH22 ARG 46 HH22 ARG 46 6.181 12.456 -1.239 354 H LYS 47 H LYS 47 -0.818 10.385 1.175 355 HA LYS 47 HA LYS 47 -1.032 13.106 0.054 356 HB2 LYS 47 HB2 LYS 47 -2.423 12.031 2.512 357 HB3 LYS 47 HB3 LYS 47 -2.262 13.750 2.172 358 HG2 LYS 47 HG2 LYS 47 -3.462 13.353 0.003 359 HG3 LYS 47 HG3 LYS 47 -3.755 11.697 0.541 360 HD2 LYS 47 HD2 LYS 47 -5.695 13.094 1.015 361 HD3 LYS 47 HD3 LYS 47 -4.947 12.560 2.521 362 HE2 LYS 47 HE2 LYS 47 -5.547 14.891 2.711 363 HE3 LYS 47 HE3 LYS 47 -3.792 14.749 2.681 364 HZ1 LYS 47 HZ1 LYS 47 -5.558 15.599 0.448 365 HZ2 LYS 47 HZ2 LYS 47 -3.899 15.306 0.278 366 HZ3 LYS 47 HZ3 LYS 47 -4.438 16.550 1.283 367 H ILE 48 H ILE 48 0.084 14.737 1.099 368 HA ILE 48 HA ILE 48 1.647 14.397 3.455 369 HB ILE 48 HB ILE 48 3.068 13.023 2.037 370 HG12 ILE 48 HG12 ILE 48 4.292 15.760 2.490 371 HG13 ILE 48 HG13 ILE 48 4.192 14.464 3.677 372 HG21 ILE 48 HG21 ILE 48 4.144 13.905 0.010 373 HG22 ILE 48 HG22 ILE 48 3.193 15.384 0.156 374 HG23 ILE 48 HG23 ILE 48 2.387 13.845 -0.146 375 HD11 ILE 48 HD11 ILE 48 5.658 13.087 2.279 376 HD12 ILE 48 HD12 ILE 48 6.414 14.607 2.746 377 HD13 ILE 48 HD13 ILE 48 5.775 14.408 1.116 378 H GLY 49 H GLY 49 1.311 16.121 0.378 379 HA2 GLY 49 HA2 GLY 49 1.183 18.652 1.882 380 HA3 GLY 49 HA3 GLY 49 2.202 18.538 0.453 381 H ASP 50 H ASP 50 0.927 20.227 -0.541 382 HA ASP 50 HA ASP 50 -1.863 19.896 -1.041 383 HB2 ASP 50 HB2 ASP 50 0.195 21.686 -2.351 384 HB3 ASP 50 HB3 ASP 50 -1.532 21.766 -2.685 385 H THR 51 H THR 51 -1.631 17.618 -1.763 386 HA THR 51 HA THR 51 -2.091 17.361 -4.533 387 HB THR 51 HB THR 51 0.322 17.537 -4.810 388 HG1 THR 51 HG1 THR 51 0.332 15.909 -6.188 389 HG21 THR 51 HG21 THR 51 1.868 15.925 -3.791 390 HG22 THR 51 HG22 THR 51 0.529 15.197 -2.902 391 HG23 THR 51 HG23 THR 51 1.021 16.855 -2.553 392 H SER 52 H SER 52 -2.435 15.057 -5.172 393 HA SER 52 HA SER 52 -2.554 13.033 -3.142 394 HB2 SER 52 HB2 SER 52 -5.041 12.742 -3.194 395 HB3 SER 52 HB3 SER 52 -4.531 14.248 -2.430 396 HG SER 52 HG SER 52 -5.615 13.879 -5.024 397 H VAL 53 H VAL 53 -1.611 11.564 -4.441 398 HA VAL 53 HA VAL 53 -2.727 11.070 -7.121 399 HB VAL 53 HB VAL 53 -0.329 11.428 -7.081 400 HG11 VAL 53 HG11 VAL 53 0.129 10.789 -4.774 401 HG12 VAL 53 HG12 VAL 53 1.199 9.927 -5.878 402 HG13 VAL 53 HG13 VAL 53 -0.182 9.097 -5.163 403 HG21 VAL 53 HG21 VAL 53 0.444 9.377 -8.186 404 HG22 VAL 53 HG22 VAL 53 -1.176 9.824 -8.721 405 HG23 VAL 53 HG23 VAL 53 -0.961 8.509 -7.565 406 H SER 54 H SER 54 -3.447 9.027 -7.758 407 HA SER 54 HA SER 54 -4.140 7.196 -5.545 408 HB2 SER 54 HB2 SER 54 -5.557 7.770 -8.156 409 HB3 SER 54 HB3 SER 54 -5.984 6.415 -7.114 410 HG SER 54 HG SER 54 -7.129 7.762 -6.018 411 H TYR 55 H TYR 55 -4.213 4.913 -5.965 412 HA TYR 55 HA TYR 55 -2.976 3.896 -8.407 413 HB2 TYR 55 HB2 TYR 55 -1.040 4.189 -6.974 414 HB3 TYR 55 HB3 TYR 55 -1.845 3.358 -5.648 415 HD1 TYR 55 HD1 TYR 55 -0.894 2.720 -9.220 416 HD2 TYR 55 HD2 TYR 55 -1.258 1.137 -5.282 417 HE1 TYR 55 HE1 TYR 55 0.093 0.600 -9.986 418 HE2 TYR 55 HE2 TYR 55 -0.278 -0.987 -6.038 419 HH TYR 55 HH TYR 55 1.317 -1.329 -9.002 420 H LYS 56 H LYS 56 -4.550 2.542 -9.080 421 HA LYS 56 HA LYS 56 -6.218 1.064 -7.267 422 HB2 LYS 56 HB2 LYS 56 -7.087 1.802 -9.434 423 HB3 LYS 56 HB3 LYS 56 -5.887 0.821 -10.268 424 HG2 LYS 56 HG2 LYS 56 -6.908 -1.208 -9.253 425 HG3 LYS 56 HG3 LYS 56 -8.157 -0.181 -8.548 426 HD2 LYS 56 HD2 LYS 56 -8.965 -1.228 -10.594 427 HD3 LYS 56 HD3 LYS 56 -8.848 0.520 -10.801 428 HE2 LYS 56 HE2 LYS 56 -6.737 0.255 -11.992 429 HE3 LYS 56 HE3 LYS 56 -6.796 -1.488 -11.743 430 HZ1 LYS 56 HZ1 LYS 56 -8.739 -1.626 -13.110 431 HZ2 LYS 56 HZ2 LYS 56 -7.545 -0.786 -13.963 432 HZ3 LYS 56 HZ3 LYS 56 -8.830 0.057 -13.256 433 H TYR 57 H TYR 57 -5.932 -0.942 -6.479 434 HA TYR 57 HA TYR 57 -3.546 -2.442 -7.091 435 HB2 TYR 57 HB2 TYR 57 -5.912 -3.024 -5.294 436 HB3 TYR 57 HB3 TYR 57 -4.522 -4.093 -5.451 437 HD1 TYR 57 HD1 TYR 57 -5.481 -0.623 -4.483 438 HD2 TYR 57 HD2 TYR 57 -2.591 -3.730 -4.139 439 HE1 TYR 57 HE1 TYR 57 -4.306 0.667 -2.758 440 HE2 TYR 57 HE2 TYR 57 -1.410 -2.441 -2.408 441 HH TYR 57 HH TYR 57 -2.769 0.269 -0.889 442 H THR 58 H THR 58 -3.337 -3.906 -8.647 443 HA THR 58 HA THR 58 -5.588 -4.594 -10.317 444 HB THR 58 HB THR 58 -3.526 -4.158 -11.450 445 HG1 THR 58 HG1 THR 58 -4.508 -5.681 -12.630 446 HG21 THR 58 HG21 THR 58 -2.323 -6.427 -9.851 447 HG22 THR 58 HG22 THR 58 -1.944 -4.712 -9.665 448 HG23 THR 58 HG23 THR 58 -1.523 -5.553 -11.157 449 H SER 59 H SER 59 -6.123 -6.782 -10.976 450 HA SER 59 HA SER 59 -5.979 -8.664 -8.704 451 HB2 SER 59 HB2 SER 59 -8.251 -7.925 -9.484 452 HB3 SER 59 HB3 SER 59 -7.927 -8.701 -11.032 453 HG SER 59 HG SER 59 -7.748 -10.692 -9.930 454 H ARG 60 H ARG 60 -3.930 -8.292 -10.927 455 HA ARG 60 HA ARG 60 -4.006 -10.455 -12.693 456 HB2 ARG 60 HB2 ARG 60 -1.598 -10.183 -12.974 457 HB3 ARG 60 HB3 ARG 60 -2.404 -8.623 -12.957 458 HG2 ARG 60 HG2 ARG 60 -1.565 -8.089 -10.825 459 HG3 ARG 60 HG3 ARG 60 -1.101 -9.761 -10.500 460 HD2 ARG 60 HD2 ARG 60 0.138 -7.972 -12.601 461 HD3 ARG 60 HD3 ARG 60 0.851 -8.357 -11.031 462 HE ARG 60 HE ARG 60 0.357 -10.782 -12.217 463 HH11 ARG 60 HH11 ARG 60 2.215 -8.005 -13.085 464 HH12 ARG 60 HH12 ARG 60 3.396 -8.937 -13.929 465 HH21 ARG 60 HH21 ARG 60 1.850 -11.947 -13.316 466 HH22 ARG 60 HH22 ARG 60 3.181 -11.150 -14.076 467 H TYR 61 H TYR 61 -3.034 -10.365 -9.316 468 HA TYR 61 HA TYR 61 -3.270 -13.271 -9.300 469 HB2 TYR 61 HB2 TYR 61 -1.285 -13.691 -8.045 470 HB3 TYR 61 HB3 TYR 61 -0.807 -12.718 -9.427 471 HD1 TYR 61 HD1 TYR 61 -0.158 -10.332 -9.096 472 HD2 TYR 61 HD2 TYR 61 -1.021 -12.890 -5.799 473 HE1 TYR 61 HE1 TYR 61 0.981 -8.763 -7.580 474 HE2 TYR 61 HE2 TYR 61 0.111 -11.326 -4.280 475 HH TYR 61 HH TYR 61 1.781 -9.570 -4.351 476 H VAL 62 H VAL 62 -3.710 -14.131 -7.147 477 HA VAL 62 HA VAL 62 -5.483 -12.305 -5.737 478 HB VAL 62 HB VAL 62 -5.099 -15.253 -5.198 479 HG11 VAL 62 HG11 VAL 62 -7.390 -15.116 -4.333 480 HG12 VAL 62 HG12 VAL 62 -7.421 -13.388 -4.692 481 HG13 VAL 62 HG13 VAL 62 -6.308 -14.015 -3.476 482 HG21 VAL 62 HG21 VAL 62 -7.000 -13.956 -7.164 483 HG22 VAL 62 HG22 VAL 62 -6.970 -15.669 -6.734 484 HG23 VAL 62 HG23 VAL 62 -5.601 -14.947 -7.577 485 H LEU 63 H LEU 63 -5.323 -11.731 -3.580 486 HA LEU 63 HA LEU 63 -2.641 -11.796 -2.479 487 HB2 LEU 63 HB2 LEU 63 -4.615 -9.893 -2.548 488 HB3 LEU 63 HB3 LEU 63 -4.789 -10.500 -0.915 489 HG LEU 63 HG LEU 63 -3.352 -8.532 -0.963 490 HD11 LEU 63 HD11 LEU 63 -2.890 -10.224 0.730 491 HD12 LEU 63 HD12 LEU 63 -1.407 -9.423 0.217 492 HD13 LEU 63 HD13 LEU 63 -1.783 -11.042 -0.370 493 HD21 LEU 63 HD21 LEU 63 -2.523 -8.765 -3.259 494 HD22 LEU 63 HD22 LEU 63 -1.536 -10.142 -2.765 495 HD23 LEU 63 HD23 LEU 63 -1.205 -8.536 -2.111 496 H LYS 64 H LYS 64 -2.100 -13.595 -1.383 497 HA LYS 64 HA LYS 64 -3.953 -15.397 -0.248 498 HB2 LYS 64 HB2 LYS 64 -0.959 -15.202 0.115 499 HB3 LYS 64 HB3 LYS 64 -1.944 -16.570 0.619 500 HG2 LYS 64 HG2 LYS 64 -2.632 -16.895 -1.731 501 HG3 LYS 64 HG3 LYS 64 -1.544 -15.591 -2.203 502 HD2 LYS 64 HD2 LYS 64 0.375 -16.834 -1.467 503 HD3 LYS 64 HD3 LYS 64 -0.648 -18.079 -0.743 504 HE2 LYS 64 HE2 LYS 64 -0.470 -17.430 -3.688 505 HE3 LYS 64 HE3 LYS 64 0.278 -18.812 -2.888 506 HZ1 LYS 64 HZ1 LYS 64 -1.808 -19.397 -3.980 507 HZ2 LYS 64 HZ2 LYS 64 -2.646 -18.289 -3.011 508 HZ3 LYS 64 HZ3 LYS 64 -1.904 -19.635 -2.307 509 H ALA 65 H ALA 65 -3.722 -16.283 2.010 510 HA ALA 65 HA ALA 65 -4.307 -14.222 3.917 511 HB1 ALA 65 HB1 ALA 65 -5.509 -16.334 3.973 512 HB2 ALA 65 HB2 ALA 65 -4.650 -16.080 5.491 513 HB3 ALA 65 HB3 ALA 65 -4.008 -17.206 4.291 514 H GLY 66 H GLY 66 -2.983 -13.306 5.403 515 HA2 GLY 66 HA2 GLY 66 -1.103 -12.894 6.682 516 HA3 GLY 66 HA3 GLY 66 -0.586 -14.545 6.379 517 H GLN 67 H GLN 67 -1.255 -12.932 3.500 518 HA GLN 67 HA GLN 67 1.542 -12.852 2.782 519 HB2 GLN 67 HB2 GLN 67 -0.079 -13.666 1.159 520 HB3 GLN 67 HB3 GLN 67 -0.960 -12.147 1.230 521 HG2 GLN 67 HG2 GLN 67 0.318 -12.199 -0.790 522 HG3 GLN 67 HG3 GLN 67 1.026 -10.998 0.287 523 HE21 GLN 67 HE21 GLN 67 3.066 -11.380 1.160 524 HE22 GLN 67 HE22 GLN 67 4.100 -12.634 0.579 525 H THR 68 H THR 68 2.797 -11.157 3.243 526 HA THR 68 HA THR 68 1.704 -8.484 3.555 527 HB THR 68 HB THR 68 4.063 -7.818 4.019 528 HG1 THR 68 HG1 THR 68 5.443 -9.162 3.081 529 HG21 THR 68 HG21 THR 68 2.601 -8.571 5.850 530 HG22 THR 68 HG22 THR 68 4.282 -9.022 6.140 531 HG23 THR 68 HG23 THR 68 3.127 -10.234 5.585 532 H VAL 69 H VAL 69 1.020 -7.758 1.548 533 HA VAL 69 HA VAL 69 2.720 -7.963 -0.776 534 HB VAL 69 HB VAL 69 0.338 -8.071 -1.136 535 HG11 VAL 69 HG11 VAL 69 0.180 -5.283 0.018 536 HG12 VAL 69 HG12 VAL 69 -0.458 -6.758 0.749 537 HG13 VAL 69 HG13 VAL 69 -1.147 -6.148 -0.755 538 HG21 VAL 69 HG21 VAL 69 0.081 -6.382 -2.892 539 HG22 VAL 69 HG22 VAL 69 1.694 -7.095 -2.919 540 HG23 VAL 69 HG23 VAL 69 1.452 -5.487 -2.237 541 H THR 70 H THR 70 4.318 -6.646 -1.252 542 HA THR 70 HA THR 70 4.605 -4.133 0.243 543 HB THR 70 HB THR 70 6.714 -5.586 -1.378 544 HG1 THR 70 HG1 THR 70 5.979 -6.891 0.357 545 HG21 THR 70 HG21 THR 70 8.288 -4.278 -0.024 546 HG22 THR 70 HG22 THR 70 6.937 -3.480 0.782 547 HG23 THR 70 HG23 THR 70 7.213 -3.224 -0.941 548 H ILE 71 H ILE 71 3.814 -2.403 -0.835 549 HA ILE 71 HA ILE 71 3.772 -2.223 -3.693 550 HB ILE 71 HB ILE 71 3.307 -0.059 -1.623 551 HG12 ILE 71 HG12 ILE 71 1.698 -1.905 -1.450 552 HG13 ILE 71 HG13 ILE 71 0.909 -0.463 -2.084 553 HG21 ILE 71 HG21 ILE 71 3.919 0.919 -3.755 554 HG22 ILE 71 HG22 ILE 71 2.197 1.165 -3.466 555 HG23 ILE 71 HG23 ILE 71 2.732 -0.083 -4.593 556 HD11 ILE 71 HD11 ILE 71 0.164 -2.440 -3.256 557 HD12 ILE 71 HD12 ILE 71 1.825 -2.843 -3.685 558 HD13 ILE 71 HD13 ILE 71 1.068 -1.392 -4.346 559 H TRP 72 H TRP 72 5.834 -2.348 -4.520 560 HA TRP 72 HA TRP 72 8.001 -0.701 -3.536 561 HB2 TRP 72 HB2 TRP 72 7.797 -2.382 -6.056 562 HB3 TRP 72 HB3 TRP 72 9.268 -1.635 -5.448 563 HD1 TRP 72 HD1 TRP 72 6.988 -4.629 -4.903 564 HE1 TRP 72 HE1 TRP 72 8.127 -6.266 -3.271 565 HE3 TRP 72 HE3 TRP 72 10.910 -1.697 -3.419 566 HZ2 TRP 72 HZ2 TRP 72 10.392 -6.304 -1.576 567 HZ3 TRP 72 HZ3 TRP 72 12.516 -2.608 -1.790 568 HH2 TRP 72 HH2 TRP 72 12.262 -4.860 -0.888 569 H ALA 73 H ALA 73 8.507 1.340 -4.201 570 HA ALA 73 HA ALA 73 6.835 2.836 -5.903 571 HB1 ALA 73 HB1 ALA 73 8.237 3.861 -4.184 572 HB2 ALA 73 HB2 ALA 73 8.544 4.586 -5.762 573 HB3 ALA 73 HB3 ALA 73 9.684 3.421 -5.088 574 H ALA 74 H ALA 74 7.505 3.961 -7.952 575 HA ALA 74 HA ALA 74 7.961 2.210 -10.022 576 HB1 ALA 74 HB1 ALA 74 8.650 5.147 -10.067 577 HB2 ALA 74 HB2 ALA 74 7.035 4.473 -10.290 578 HB3 ALA 74 HB3 ALA 74 8.307 4.125 -11.462 579 H ASN 75 H ASN 75 10.404 3.728 -8.042 580 HA ASN 75 HA ASN 75 12.575 2.961 -9.846 581 HB2 ASN 75 HB2 ASN 75 12.655 4.318 -7.135 582 HB3 ASN 75 HB3 ASN 75 14.047 4.052 -8.181 583 HD21 ASN 75 HD21 ASN 75 13.067 6.558 -7.222 584 HD22 ASN 75 HD22 ASN 75 12.642 7.498 -8.608 585 H ALA 76 H ALA 76 10.880 0.911 -8.533 586 HA ALA 76 HA ALA 76 12.138 -0.352 -6.381 587 HB1 ALA 76 HB1 ALA 76 10.858 -2.323 -6.987 588 HB2 ALA 76 HB2 ALA 76 10.548 -1.657 -8.592 589 HB3 ALA 76 HB3 ALA 76 9.870 -0.873 -7.165 590 H GLY 77 H GLY 77 12.820 -0.600 -9.842 591 HA2 GLY 77 HA2 GLY 77 14.722 -1.405 -10.901 592 HA3 GLY 77 HA3 GLY 77 15.393 -1.795 -9.327 593 H VAL 78 H VAL 78 12.384 -3.170 -9.459 594 HA VAL 78 HA VAL 78 13.485 -5.768 -10.329 595 HB VAL 78 HB VAL 78 11.808 -6.843 -8.893 596 HG11 VAL 78 HG11 VAL 78 13.479 -4.782 -7.444 597 HG12 VAL 78 HG12 VAL 78 14.002 -6.390 -7.951 598 HG13 VAL 78 HG13 VAL 78 12.763 -6.216 -6.709 599 HG21 VAL 78 HG21 VAL 78 10.051 -5.152 -8.988 600 HG22 VAL 78 HG22 VAL 78 11.055 -4.033 -8.065 601 HG23 VAL 78 HG23 VAL 78 10.465 -5.515 -7.312 602 H THR 79 H THR 79 11.463 -7.321 -10.831 603 HA THR 79 HA THR 79 10.287 -6.308 -13.249 604 HB THR 79 HB THR 79 9.707 -8.915 -11.813 605 HG1 THR 79 HG1 THR 79 11.974 -8.484 -12.501 606 HG21 THR 79 HG21 THR 79 8.995 -9.709 -14.032 607 HG22 THR 79 HG22 THR 79 9.257 -8.093 -14.688 608 HG23 THR 79 HG23 THR 79 8.002 -8.361 -13.476 609 H ALA 80 H ALA 80 8.193 -5.668 -13.641 610 HA ALA 80 HA ALA 80 6.530 -4.791 -11.552 611 HB1 ALA 80 HB1 ALA 80 4.872 -4.330 -13.263 612 HB2 ALA 80 HB2 ALA 80 5.739 -5.351 -14.410 613 HB3 ALA 80 HB3 ALA 80 6.475 -3.859 -13.829 614 H SER 81 H SER 81 6.439 -6.665 -10.196 615 HA SER 81 HA SER 81 5.349 -8.365 -9.179 616 HB2 SER 81 HB2 SER 81 3.300 -7.080 -9.932 617 HB3 SER 81 HB3 SER 81 3.209 -8.177 -11.310 618 HG SER 81 HG SER 81 2.603 -8.606 -8.647 619 HA PRO 82 HA PRO 82 7.390 -11.430 -11.953 620 HB2 PRO 82 HB2 PRO 82 7.916 -12.589 -9.263 621 HB3 PRO 82 HB3 PRO 82 9.015 -12.329 -10.623 622 HG2 PRO 82 HG2 PRO 82 9.112 -10.723 -8.512 623 HG3 PRO 82 HG3 PRO 82 9.265 -10.057 -10.152 624 HD2 PRO 82 HD2 PRO 82 6.875 -10.072 -8.328 625 HD3 PRO 82 HD3 PRO 82 7.509 -8.755 -9.340 626 HA PRO 83 HA PRO 83 4.870 -10.995 -9.317 627 HB2 PRO 83 HB2 PRO 83 2.731 -11.888 -8.058 628 HB3 PRO 83 HB3 PRO 83 2.684 -11.628 -9.808 629 HG2 PRO 83 HG2 PRO 83 2.884 -14.180 -8.275 630 HG3 PRO 83 HG3 PRO 83 2.059 -13.853 -9.809 631 HD2 PRO 83 HD2 PRO 83 4.667 -14.955 -9.449 632 HD3 PRO 83 HD3 PRO 83 3.898 -14.493 -10.979 633 H THR 84 H THR 84 4.274 -10.656 -7.004 634 HA THR 84 HA THR 84 4.762 -12.340 -4.864 635 HB THR 84 HB THR 84 7.118 -12.464 -5.365 636 HG1 THR 84 HG1 THR 84 7.058 -10.437 -3.385 637 HG21 THR 84 HG21 THR 84 7.306 -10.516 -6.851 638 HG22 THR 84 HG22 THR 84 8.556 -10.495 -5.606 639 HG23 THR 84 HG23 THR 84 7.151 -9.438 -5.464 640 H ASP 85 H ASP 85 5.304 -9.077 -6.072 641 HA ASP 85 HA ASP 85 3.518 -7.984 -4.022 642 HB2 ASP 85 HB2 ASP 85 6.188 -6.748 -4.759 643 HB3 ASP 85 HB3 ASP 85 5.036 -6.133 -3.577 644 H LEU 86 H LEU 86 3.509 -5.363 -4.694 645 HA LEU 86 HA LEU 86 2.948 -5.287 -7.596 646 HB2 LEU 86 HB2 LEU 86 1.385 -3.988 -5.356 647 HB3 LEU 86 HB3 LEU 86 1.148 -3.621 -7.056 648 HG LEU 86 HG LEU 86 0.696 -6.319 -5.763 649 HD11 LEU 86 HD11 LEU 86 -1.256 -4.255 -6.783 650 HD12 LEU 86 HD12 LEU 86 -1.008 -4.733 -5.102 651 HD13 LEU 86 HD13 LEU 86 -1.677 -5.885 -6.257 652 HD21 LEU 86 HD21 LEU 86 1.453 -6.549 -8.074 653 HD22 LEU 86 HD22 LEU 86 0.223 -5.404 -8.607 654 HD23 LEU 86 HD23 LEU 86 -0.255 -6.964 -7.937 655 H ILE 87 H ILE 87 3.845 -3.653 -8.727 656 HA ILE 87 HA ILE 87 5.512 -1.735 -7.271 657 HB ILE 87 HB ILE 87 5.508 -2.579 -10.177 658 HG12 ILE 87 HG12 ILE 87 7.866 -3.244 -9.645 659 HG13 ILE 87 HG13 ILE 87 7.581 -2.805 -7.966 660 HG21 ILE 87 HG21 ILE 87 7.376 -1.034 -10.542 661 HG22 ILE 87 HG22 ILE 87 7.188 -0.410 -8.903 662 HG23 ILE 87 HG23 ILE 87 5.907 -0.170 -10.094 663 HD11 ILE 87 HD11 ILE 87 7.449 -5.211 -8.324 664 HD12 ILE 87 HD12 ILE 87 6.140 -4.973 -9.482 665 HD13 ILE 87 HD13 ILE 87 5.905 -4.556 -7.784 666 H TRP 88 H TRP 88 4.948 0.293 -7.021 667 HA TRP 88 HA TRP 88 2.573 1.389 -8.233 668 HB2 TRP 88 HB2 TRP 88 3.195 1.785 -5.864 669 HB3 TRP 88 HB3 TRP 88 4.613 2.675 -6.399 670 HD1 TRP 88 HD1 TRP 88 1.319 3.272 -8.218 671 HE1 TRP 88 HE1 TRP 88 0.459 5.626 -7.634 672 HE3 TRP 88 HE3 TRP 88 4.657 4.457 -4.538 673 HZ2 TRP 88 HZ2 TRP 88 1.112 7.704 -5.853 674 HZ3 TRP 88 HZ3 TRP 88 4.472 6.655 -3.442 675 HH2 TRP 88 HH2 TRP 88 2.736 8.242 -4.090 676 H LYS 89 H LYS 89 3.010 1.607 -10.423 677 HA LYS 89 HA LYS 89 5.410 2.884 -11.388 678 HB2 LYS 89 HB2 LYS 89 2.912 2.083 -12.904 679 HB3 LYS 89 HB3 LYS 89 4.472 2.493 -13.611 680 HG2 LYS 89 HG2 LYS 89 5.487 0.537 -12.601 681 HG3 LYS 89 HG3 LYS 89 3.978 0.148 -11.773 682 HD2 LYS 89 HD2 LYS 89 4.183 -1.266 -13.710 683 HD3 LYS 89 HD3 LYS 89 2.882 -0.113 -13.992 684 HE2 LYS 89 HE2 LYS 89 4.178 -0.289 -16.001 685 HE3 LYS 89 HE3 LYS 89 4.493 1.292 -15.286 686 HZ1 LYS 89 HZ1 LYS 89 6.524 0.267 -16.047 687 HZ2 LYS 89 HZ2 LYS 89 6.248 -1.096 -15.085 688 HZ3 LYS 89 HZ3 LYS 89 6.553 0.403 -14.364 689 H ASN 90 H ASN 90 2.614 4.170 -10.109 690 HA ASN 90 HA ASN 90 2.231 6.318 -12.013 691 HB2 ASN 90 HB2 ASN 90 0.986 5.828 -9.300 692 HB3 ASN 90 HB3 ASN 90 0.515 7.121 -10.400 693 HD21 ASN 90 HD21 ASN 90 0.824 5.479 -12.794 694 HD22 ASN 90 HD22 ASN 90 -0.514 4.388 -12.802 695 H GLN 91 H GLN 91 4.277 5.843 -9.299 696 HA GLN 91 HA GLN 91 5.314 8.528 -9.648 697 HB2 GLN 91 HB2 GLN 91 3.575 8.827 -7.891 698 HB3 GLN 91 HB3 GLN 91 4.413 7.643 -6.893 699 HG2 GLN 91 HG2 GLN 91 6.424 9.128 -6.951 700 HG3 GLN 91 HG3 GLN 91 5.445 10.335 -7.777 701 HE21 GLN 91 HE21 GLN 91 6.815 10.470 -5.225 702 HE22 GLN 91 HE22 GLN 91 5.609 10.853 -4.052 703 H ASN 92 H ASN 92 7.467 8.714 -9.175 704 HA ASN 92 HA ASN 92 8.994 6.327 -8.733 705 HB2 ASN 92 HB2 ASN 92 9.879 9.228 -8.777 706 HB3 ASN 92 HB3 ASN 92 10.944 7.829 -8.859 707 HD21 ASN 92 HD21 ASN 92 11.034 6.630 -10.757 708 HD22 ASN 92 HD22 ASN 92 10.405 7.231 -12.248 709 H SER 93 H SER 93 10.848 6.433 -7.029 710 HA SER 93 HA SER 93 9.667 6.611 -4.427 711 HB2 SER 93 HB2 SER 93 11.970 6.018 -3.614 712 HB3 SER 93 HB3 SER 93 11.332 4.900 -4.816 713 HG SER 93 HG SER 93 13.610 5.781 -5.008 714 H TRP 94 H TRP 94 9.371 8.475 -3.327 715 HA TRP 94 HA TRP 94 10.385 10.933 -4.201 716 HB2 TRP 94 HB2 TRP 94 9.468 11.909 -2.133 717 HB3 TRP 94 HB3 TRP 94 8.326 10.852 -2.945 718 HD1 TRP 94 HD1 TRP 94 10.358 11.161 0.278 719 HE1 TRP 94 HE1 TRP 94 9.439 9.487 2.000 720 HE3 TRP 94 HE3 TRP 94 7.151 8.557 -2.749 721 HZ2 TRP 94 HZ2 TRP 94 7.606 7.341 2.067 722 HZ3 TRP 94 HZ3 TRP 94 5.855 6.705 -1.772 723 HH2 TRP 94 HH2 TRP 94 6.079 6.111 0.588 724 H GLY 95 H GLY 95 11.683 8.707 -1.826 725 HA2 GLY 95 HA2 GLY 95 13.726 8.631 -0.779 726 HA3 GLY 95 HA3 GLY 95 14.302 9.357 -2.265 727 H THR 96 H THR 96 12.211 10.840 0.185 728 HA THR 96 HA THR 96 14.423 12.634 0.957 729 HB THR 96 HB THR 96 13.078 13.864 -0.690 730 HG1 THR 96 HG1 THR 96 12.718 14.776 1.996 731 HG21 THR 96 HG21 THR 96 10.743 14.460 -0.235 732 HG22 THR 96 HG22 THR 96 10.756 13.433 1.198 733 HG23 THR 96 HG23 THR 96 10.937 12.714 -0.403 734 H GLY 97 H GLY 97 12.659 10.315 2.102 735 HA2 GLY 97 HA2 GLY 97 11.927 9.700 4.195 736 HA3 GLY 97 HA3 GLY 97 12.676 11.167 4.807 737 H GLU 98 H GLU 98 11.341 12.622 5.678 738 HA GLU 98 HA GLU 98 9.526 13.891 6.164 739 HB2 GLU 98 HB2 GLU 98 8.577 12.956 3.448 740 HB3 GLU 98 HB3 GLU 98 7.744 14.167 4.415 741 HG2 GLU 98 HG2 GLU 98 10.553 14.387 3.334 742 HG3 GLU 98 HG3 GLU 98 9.122 15.190 2.688 743 H ASP 99 H ASP 99 7.217 13.827 6.774 744 HA ASP 99 HA ASP 99 6.413 11.123 7.555 745 HB2 ASP 99 HB2 ASP 99 4.834 12.254 9.094 746 HB3 ASP 99 HB3 ASP 99 6.501 12.744 9.362 747 H VAL 100 H VAL 100 5.623 10.362 5.590 748 HA VAL 100 HA VAL 100 3.372 11.783 4.357 749 HB VAL 100 HB VAL 100 5.127 11.021 2.843 750 HG11 VAL 100 HG11 VAL 100 5.958 9.107 4.078 751 HG12 VAL 100 HG12 VAL 100 5.520 8.628 2.438 752 HG13 VAL 100 HG13 VAL 100 4.453 8.234 3.786 753 HG21 VAL 100 HG21 VAL 100 3.745 9.832 1.208 754 HG22 VAL 100 HG22 VAL 100 2.842 11.131 1.988 755 HG23 VAL 100 HG23 VAL 100 2.570 9.456 2.470 756 H LYS 101 H LYS 101 1.292 11.057 4.392 757 HA LYS 101 HA LYS 101 0.787 8.527 5.830 758 HB2 LYS 101 HB2 LYS 101 0.073 10.537 7.081 759 HB3 LYS 101 HB3 LYS 101 -0.979 10.987 5.745 760 HG2 LYS 101 HG2 LYS 101 -2.363 9.059 6.093 761 HG3 LYS 101 HG3 LYS 101 -1.228 8.396 7.269 762 HD2 LYS 101 HD2 LYS 101 -3.130 9.375 8.417 763 HD3 LYS 101 HD3 LYS 101 -1.675 10.313 8.760 764 HE2 LYS 101 HE2 LYS 101 -2.354 11.953 7.048 765 HE3 LYS 101 HE3 LYS 101 -3.826 11.025 6.761 766 HZ1 LYS 101 HZ1 LYS 101 -3.068 12.338 9.313 767 HZ2 LYS 101 HZ2 LYS 101 -4.464 11.418 9.066 768 HZ3 LYS 101 HZ3 LYS 101 -4.251 12.873 8.230 769 H VAL 102 H VAL 102 -0.193 6.978 4.738 770 HA VAL 102 HA VAL 102 -1.305 7.588 2.093 771 HB VAL 102 HB VAL 102 -0.413 4.971 3.319 772 HG11 VAL 102 HG11 VAL 102 -2.271 4.580 1.782 773 HG12 VAL 102 HG12 VAL 102 -0.760 3.994 1.090 774 HG13 VAL 102 HG13 VAL 102 -1.451 5.518 0.532 775 HG21 VAL 102 HG21 VAL 102 1.433 6.458 2.756 776 HG22 VAL 102 HG22 VAL 102 0.788 6.675 1.127 777 HG23 VAL 102 HG23 VAL 102 1.387 5.095 1.638 778 H ILE 103 H ILE 103 -3.364 7.220 1.534 779 HA ILE 103 HA ILE 103 -5.259 6.335 3.604 780 HB ILE 103 HB ILE 103 -5.812 7.808 1.014 781 HG12 ILE 103 HG12 ILE 103 -4.496 9.196 2.563 782 HG13 ILE 103 HG13 ILE 103 -6.136 9.811 2.403 783 HG21 ILE 103 HG21 ILE 103 -7.593 7.199 3.374 784 HG22 ILE 103 HG22 ILE 103 -7.724 6.527 1.748 785 HG23 ILE 103 HG23 ILE 103 -8.028 8.244 2.020 786 HD11 ILE 103 HD11 ILE 103 -5.078 8.177 4.701 787 HD12 ILE 103 HD12 ILE 103 -6.724 8.793 4.546 788 HD13 ILE 103 HD13 ILE 103 -5.372 9.916 4.700 789 H LEU 104 H LEU 104 -6.039 4.294 3.431 790 HA LEU 104 HA LEU 104 -6.064 2.966 0.808 791 HB2 LEU 104 HB2 LEU 104 -6.560 1.876 3.583 792 HB3 LEU 104 HB3 LEU 104 -6.637 0.921 2.114 793 HG LEU 104 HG LEU 104 -4.172 2.261 3.249 794 HD11 LEU 104 HD11 LEU 104 -3.385 -0.058 3.529 795 HD12 LEU 104 HD12 LEU 104 -4.963 -0.644 2.999 796 HD13 LEU 104 HD13 LEU 104 -4.822 0.286 4.492 797 HD21 LEU 104 HD21 LEU 104 -2.965 1.110 1.427 798 HD22 LEU 104 HD22 LEU 104 -4.094 2.323 0.821 799 HD23 LEU 104 HD23 LEU 104 -4.511 0.612 0.738 800 H LYS 105 H LYS 105 -7.883 2.939 -0.375 801 HA LYS 105 HA LYS 105 -10.488 2.916 1.024 802 HB2 LYS 105 HB2 LYS 105 -9.771 4.502 -1.454 803 HB3 LYS 105 HB3 LYS 105 -11.414 4.279 -0.864 804 HG2 LYS 105 HG2 LYS 105 -10.731 5.372 1.269 805 HG3 LYS 105 HG3 LYS 105 -9.162 5.718 0.536 806 HD2 LYS 105 HD2 LYS 105 -10.224 7.061 -1.183 807 HD3 LYS 105 HD3 LYS 105 -11.824 6.634 -0.572 808 HE2 LYS 105 HE2 LYS 105 -11.252 7.751 1.570 809 HE3 LYS 105 HE3 LYS 105 -9.717 8.257 0.864 810 HZ1 LYS 105 HZ1 LYS 105 -10.921 9.513 -0.795 811 HZ2 LYS 105 HZ2 LYS 105 -11.407 9.994 0.750 812 HZ3 LYS 105 HZ3 LYS 105 -12.405 8.992 -0.172 813 H ASN 106 H ASN 106 -12.263 1.962 -0.214 814 HA ASN 106 HA ASN 106 -11.326 -0.258 -1.887 815 HB2 ASN 106 HB2 ASN 106 -14.138 0.249 -0.894 816 HB3 ASN 106 HB3 ASN 106 -13.498 -1.250 -1.556 817 HD21 ASN 106 HD21 ASN 106 -12.011 -2.456 -0.281 818 HD22 ASN 106 HD22 ASN 106 -11.966 -2.256 1.431 819 H SER 107 H SER 107 -12.643 -0.843 -3.823 820 HA SER 107 HA SER 107 -12.643 1.186 -5.742 821 HB2 SER 107 HB2 SER 107 -13.789 -0.410 -7.214 822 HB3 SER 107 HB3 SER 107 -12.523 -1.222 -6.294 823 HG SER 107 HG SER 107 -15.262 -1.562 -6.229 824 H GLN 108 H GLN 108 -15.207 0.196 -3.572 825 HA GLN 108 HA GLN 108 -17.340 1.371 -5.075 826 HB2 GLN 108 HB2 GLN 108 -17.254 0.429 -2.202 827 HB3 GLN 108 HB3 GLN 108 -18.713 0.935 -3.043 828 HG2 GLN 108 HG2 GLN 108 -18.356 -0.888 -4.684 829 HG3 GLN 108 HG3 GLN 108 -16.961 -1.418 -3.746 830 HE21 GLN 108 HE21 GLN 108 -17.923 -3.441 -3.376 831 HE22 GLN 108 HE22 GLN 108 -19.226 -3.641 -2.260 832 H GLY 109 H GLY 109 -15.080 2.677 -2.750 833 HA2 GLY 109 HA2 GLY 109 -15.032 5.184 -3.336 834 HA3 GLY 109 HA3 GLY 109 -16.670 5.175 -2.725 835 H GLU 110 H GLU 110 -16.283 3.575 -0.388 836 HA GLU 110 HA GLU 110 -15.456 5.774 1.270 837 HB2 GLU 110 HB2 GLU 110 -16.304 4.517 3.140 838 HB3 GLU 110 HB3 GLU 110 -17.442 4.410 1.804 839 HG2 GLU 110 HG2 GLU 110 -16.583 2.167 1.270 840 HG3 GLU 110 HG3 GLU 110 -15.481 2.276 2.643 841 H GLU 111 H GLU 111 -14.215 5.245 3.374 842 HA GLU 111 HA GLU 111 -11.563 4.393 2.473 843 HB2 GLU 111 HB2 GLU 111 -11.892 6.671 3.419 844 HB3 GLU 111 HB3 GLU 111 -12.372 5.945 4.946 845 HG2 GLU 111 HG2 GLU 111 -10.150 4.949 5.179 846 HG3 GLU 111 HG3 GLU 111 -9.661 5.674 3.647 847 H VAL 112 H VAL 112 -10.276 2.940 3.574 848 HA VAL 112 HA VAL 112 -11.610 1.125 5.452 849 HB VAL 112 HB VAL 112 -8.923 0.811 4.082 850 HG11 VAL 112 HG11 VAL 112 -9.134 -1.557 4.726 851 HG12 VAL 112 HG12 VAL 112 -10.625 -1.180 5.592 852 HG13 VAL 112 HG13 VAL 112 -9.093 -0.493 6.132 853 HG21 VAL 112 HG21 VAL 112 -10.050 -0.739 2.565 854 HG22 VAL 112 HG22 VAL 112 -10.737 0.880 2.442 855 HG23 VAL 112 HG23 VAL 112 -11.598 -0.379 3.331 856 H ALA 113 H ALA 113 -8.386 2.645 5.115 857 HA ALA 113 HA ALA 113 -8.330 3.572 7.815 858 HB1 ALA 113 HB1 ALA 113 -6.582 1.193 7.168 859 HB2 ALA 113 HB2 ALA 113 -7.965 1.194 8.261 860 HB3 ALA 113 HB3 ALA 113 -6.530 2.139 8.655 861 H GLN 114 H GLN 114 -6.330 4.686 8.349 862 HA GLN 114 HA GLN 114 -4.597 5.262 6.025 863 HB2 GLN 114 HB2 GLN 114 -4.435 7.579 6.709 864 HB3 GLN 114 HB3 GLN 114 -6.129 7.154 6.505 865 HG2 GLN 114 HG2 GLN 114 -6.411 6.980 8.910 866 HG3 GLN 114 HG3 GLN 114 -4.694 7.297 9.156 867 HE21 GLN 114 HE21 GLN 114 -6.699 8.926 6.787 868 HE22 GLN 114 HE22 GLN 114 -6.646 10.478 7.537 869 H ARG 115 H ARG 115 -2.393 5.756 6.502 870 HA ARG 115 HA ARG 115 -1.442 5.510 9.232 871 HB2 ARG 115 HB2 ARG 115 -1.807 3.148 8.398 872 HB3 ARG 115 HB3 ARG 115 -0.549 3.444 7.208 873 HG2 ARG 115 HG2 ARG 115 1.112 3.686 8.908 874 HG3 ARG 115 HG3 ARG 115 -0.110 3.694 10.182 875 HD2 ARG 115 HD2 ARG 115 -0.722 1.367 9.512 876 HD3 ARG 115 HD3 ARG 115 0.635 1.380 8.388 877 HE ARG 115 HE ARG 115 2.045 1.770 10.425 878 HH11 ARG 115 HH11 ARG 115 -0.994 0.173 10.651 879 HH12 ARG 115 HH12 ARG 115 -0.541 -0.729 12.052 880 HH21 ARG 115 HH21 ARG 115 2.616 0.615 12.225 881 HH22 ARG 115 HH22 ARG 115 1.489 -0.484 12.933 882 H SER 116 H SER 116 0.681 6.265 9.519 883 HA SER 116 HA SER 116 1.837 7.588 7.132 884 HB2 SER 116 HB2 SER 116 2.631 9.363 8.584 885 HB3 SER 116 HB3 SER 116 0.907 9.132 8.866 886 HG SER 116 HG SER 116 3.093 8.410 10.507 887 H THR 117 H THR 117 4.226 8.190 7.479 888 HA THR 117 HA THR 117 5.782 5.870 8.175 889 HB THR 117 HB THR 117 7.757 7.384 7.723 890 HG1 THR 117 HG1 THR 117 7.412 9.454 7.093 891 HG21 THR 117 HG21 THR 117 7.344 7.562 5.303 892 HG22 THR 117 HG22 THR 117 5.633 7.236 5.579 893 HG23 THR 117 HG23 THR 117 6.835 6.000 5.946 894 H VAL 118 H VAL 118 7.983 6.636 9.461 895 HA VAL 118 HA VAL 118 7.131 7.012 12.176 896 HB VAL 118 HB VAL 118 9.943 6.907 11.043 897 HG11 VAL 118 HG11 VAL 118 10.618 6.314 13.331 898 HG12 VAL 118 HG12 VAL 118 8.957 6.542 13.880 899 HG13 VAL 118 HG13 VAL 118 9.880 7.915 13.265 900 HG21 VAL 118 HG21 VAL 118 9.935 4.550 11.702 901 HG22 VAL 118 HG22 VAL 118 8.665 4.880 10.521 902 HG23 VAL 118 HG23 VAL 118 8.256 4.690 12.226 903 H PHE 119 H PHE 119 6.618 9.001 12.948 904 HA PHE 119 HA PHE 119 7.456 11.457 11.856 905 HB2 PHE 119 HB2 PHE 119 6.509 10.886 14.679 906 HB3 PHE 119 HB3 PHE 119 6.617 12.483 13.945 907 HD1 PHE 119 HD1 PHE 119 5.402 12.485 11.482 908 HD2 PHE 119 HD2 PHE 119 4.367 10.052 14.824 909 HE1 PHE 119 HE1 PHE 119 3.126 12.232 10.590 910 HE2 PHE 119 HE2 PHE 119 2.086 9.800 13.934 911 HZ PHE 119 HZ PHE 119 1.465 10.891 11.816 912 H LYS 120 H LYS 120 9.612 11.776 11.624 913 HA LYS 120 HA LYS 120 11.279 11.739 14.057 914 HB2 LYS 120 HB2 LYS 120 11.749 9.736 12.725 915 HB3 LYS 120 HB3 LYS 120 12.062 10.735 11.312 916 HG2 LYS 120 HG2 LYS 120 13.994 11.739 12.464 917 HG3 LYS 120 HG3 LYS 120 13.684 10.705 13.861 918 HD2 LYS 120 HD2 LYS 120 14.338 9.745 11.068 919 HD3 LYS 120 HD3 LYS 120 15.467 9.804 12.422 920 HE2 LYS 120 HE2 LYS 120 12.912 8.184 12.374 921 HE3 LYS 120 HE3 LYS 120 14.518 7.544 12.028 922 HZ1 LYS 120 HZ1 LYS 120 13.672 8.770 14.604 923 HZ2 LYS 120 HZ2 LYS 120 15.203 8.131 14.268 924 HZ3 LYS 120 HZ3 LYS 120 13.854 7.114 14.314 925 H THR 121 H THR 121 11.484 13.902 14.393 926 HA THR 121 HA THR 121 12.783 15.455 12.232 927 HB THR 121 HB THR 121 11.114 16.499 14.543 928 HG1 THR 121 HG1 THR 121 10.612 16.827 11.761 929 HG21 THR 121 HG21 THR 121 12.554 18.017 12.356 930 HG22 THR 121 HG22 THR 121 12.945 18.043 14.075 931 HG23 THR 121 HG23 THR 121 11.420 18.721 13.506 932 H THR 122 H THR 122 14.894 14.919 12.692 933 HA THR 122 HA THR 122 15.907 15.511 15.410 934 HB THR 122 HB THR 122 17.843 14.069 14.868 935 HG1 THR 122 HG1 THR 122 17.258 14.380 12.428 936 HG21 THR 122 HG21 THR 122 16.643 11.908 14.924 937 HG22 THR 122 HG22 THR 122 15.149 12.744 14.504 938 HG23 THR 122 HG23 THR 122 15.949 13.084 16.039 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -18.601 -5.467 -17.702 2 H2 MET 1 H2 MET 1 -19.123 -6.360 -16.364 3 H3 MET 1 H3 MET 1 -19.421 -6.929 -17.930 4 HA MET 1 HA MET 1 -17.096 -7.242 -18.336 5 HB2 MET 1 HB2 MET 1 -16.783 -6.222 -15.499 6 HB3 MET 1 HB3 MET 1 -15.496 -6.983 -16.426 7 HG2 MET 1 HG2 MET 1 -15.481 -5.194 -18.005 8 HG3 MET 1 HG3 MET 1 -16.939 -4.492 -17.308 9 HE1 MET 1 HE1 MET 1 -15.742 -2.993 -13.960 10 HE2 MET 1 HE2 MET 1 -16.555 -4.536 -14.227 11 HE3 MET 1 HE3 MET 1 -17.048 -3.109 -15.140 12 H GLY 2 H GLY 2 -17.383 -7.939 -14.872 13 HA2 GLY 2 HA2 GLY 2 -17.542 -9.940 -13.748 14 HA3 GLY 2 HA3 GLY 2 -18.882 -10.230 -14.839 15 H HIS 3 H HIS 3 -15.463 -10.028 -15.762 16 HA HIS 3 HA HIS 3 -15.539 -12.338 -17.350 17 HB2 HIS 3 HB2 HIS 3 -13.857 -10.490 -17.532 18 HB3 HIS 3 HB3 HIS 3 -13.078 -11.108 -16.081 19 HD1 HIS 3 HD1 HIS 3 -13.514 -11.793 -19.717 20 HD2 HIS 3 HD2 HIS 3 -11.593 -13.490 -16.449 21 HE1 HIS 3 HE1 HIS 3 -11.948 -13.499 -20.677 22 HE2 HIS 3 HE2 HIS 3 -10.882 -14.596 -18.679 23 H HIS 4 H HIS 4 -14.333 -11.885 -14.045 24 HA HIS 4 HA HIS 4 -13.594 -14.519 -13.487 25 HB2 HIS 4 HB2 HIS 4 -14.049 -13.892 -11.075 26 HB3 HIS 4 HB3 HIS 4 -12.958 -12.822 -11.943 27 HD1 HIS 4 HD1 HIS 4 -15.910 -12.768 -9.854 28 HD2 HIS 4 HD2 HIS 4 -14.340 -10.360 -12.852 29 HE1 HIS 4 HE1 HIS 4 -17.060 -10.553 -9.604 30 HE2 HIS 4 HE2 HIS 4 -16.127 -9.123 -11.454 31 H HIS 5 H HIS 5 -14.706 -16.353 -13.263 32 HA HIS 5 HA HIS 5 -17.617 -16.269 -13.470 33 HB2 HIS 5 HB2 HIS 5 -15.737 -18.647 -13.540 34 HB3 HIS 5 HB3 HIS 5 -17.455 -18.673 -13.931 35 HD1 HIS 5 HD1 HIS 5 -18.159 -17.778 -16.244 36 HD2 HIS 5 HD2 HIS 5 -14.075 -17.511 -15.514 37 HE1 HIS 5 HE1 HIS 5 -17.112 -17.243 -18.463 38 HE2 HIS 5 HE2 HIS 5 -14.651 -17.012 -17.984 39 H HIS 6 H HIS 6 -18.911 -17.888 -12.169 40 HA HIS 6 HA HIS 6 -19.790 -18.512 -10.168 41 HB2 HIS 6 HB2 HIS 6 -16.876 -18.945 -9.475 42 HB3 HIS 6 HB3 HIS 6 -18.209 -19.426 -8.429 43 HD1 HIS 6 HD1 HIS 6 -19.397 -21.593 -8.976 44 HD2 HIS 6 HD2 HIS 6 -16.672 -20.454 -11.898 45 HE1 HIS 6 HE1 HIS 6 -19.206 -23.561 -10.522 46 HE2 HIS 6 HE2 HIS 6 -17.617 -22.823 -12.324 47 H HIS 7 H HIS 7 -20.677 -16.480 -9.697 48 HA HIS 7 HA HIS 7 -19.048 -14.473 -8.378 49 HB2 HIS 7 HB2 HIS 7 -20.533 -13.686 -10.088 50 HB3 HIS 7 HB3 HIS 7 -21.920 -14.454 -9.319 51 HD1 HIS 7 HD1 HIS 7 -19.304 -11.882 -8.249 52 HD2 HIS 7 HD2 HIS 7 -23.380 -12.643 -7.936 53 HE1 HIS 7 HE1 HIS 7 -20.246 -9.971 -6.926 54 HE2 HIS 7 HE2 HIS 7 -22.664 -10.565 -6.579 55 H HIS 8 H HIS 8 -18.904 -14.173 -6.276 56 HA HIS 8 HA HIS 8 -21.238 -14.733 -4.560 57 HB2 HIS 8 HB2 HIS 8 -18.325 -15.146 -3.824 58 HB3 HIS 8 HB3 HIS 8 -19.688 -15.334 -2.724 59 HD1 HIS 8 HD1 HIS 8 -21.315 -17.372 -3.235 60 HD2 HIS 8 HD2 HIS 8 -17.769 -17.336 -5.399 61 HE1 HIS 8 HE1 HIS 8 -21.087 -19.681 -4.186 62 HE2 HIS 8 HE2 HIS 8 -18.861 -19.682 -5.347 63 H SER 9 H SER 9 -21.863 -13.015 -3.308 64 HA SER 9 HA SER 9 -20.286 -10.547 -3.572 65 HB2 SER 9 HB2 SER 9 -23.184 -10.950 -2.785 66 HB3 SER 9 HB3 SER 9 -22.379 -9.385 -2.865 67 HG SER 9 HG SER 9 -23.259 -9.554 -4.817 68 H HIS 10 H HIS 10 -18.743 -10.999 -1.920 69 HA HIS 10 HA HIS 10 -19.722 -10.131 0.702 70 HB2 HIS 10 HB2 HIS 10 -17.955 -12.563 0.318 71 HB3 HIS 10 HB3 HIS 10 -18.258 -11.788 1.867 72 HD1 HIS 10 HD1 HIS 10 -20.686 -12.008 2.841 73 HD2 HIS 10 HD2 HIS 10 -19.955 -14.273 -0.568 74 HE1 HIS 10 HE1 HIS 10 -22.579 -13.652 2.705 75 HE2 HIS 10 HE2 HIS 10 -22.204 -14.889 0.553 76 H MET 11 H MET 11 -18.676 -8.251 0.959 77 HA MET 11 HA MET 11 -15.952 -7.932 -0.076 78 HB2 MET 11 HB2 MET 11 -17.795 -5.860 1.142 79 HB3 MET 11 HB3 MET 11 -16.293 -5.549 0.282 80 HG2 MET 11 HG2 MET 11 -18.804 -6.726 -0.897 81 HG3 MET 11 HG3 MET 11 -18.210 -5.084 -1.130 82 HE1 MET 11 HE1 MET 11 -18.463 -5.434 -3.756 83 HE2 MET 11 HE2 MET 11 -19.002 -7.101 -3.522 84 HE3 MET 11 HE3 MET 11 -17.694 -6.743 -4.650 85 H THR 12 H THR 12 -14.417 -8.656 1.311 86 HA THR 12 HA THR 12 -14.631 -7.922 4.170 87 HB THR 12 HB THR 12 -13.050 -9.778 4.633 88 HG1 THR 12 HG1 THR 12 -11.973 -10.522 2.975 89 HG21 THR 12 HG21 THR 12 -14.620 -11.619 4.261 90 HG22 THR 12 HG22 THR 12 -15.508 -10.641 3.092 91 HG23 THR 12 HG23 THR 12 -15.473 -10.170 4.792 92 H GLY 13 H GLY 13 -13.613 -5.951 4.233 93 HA2 GLY 13 HA2 GLY 13 -11.108 -5.465 2.863 94 HA3 GLY 13 HA3 GLY 13 -11.954 -4.352 3.925 95 H ASN 14 H ASN 14 -10.280 -7.496 4.181 96 HA ASN 14 HA ASN 14 -9.239 -6.688 6.811 97 HB2 ASN 14 HB2 ASN 14 -9.296 -9.407 5.482 98 HB3 ASN 14 HB3 ASN 14 -8.718 -9.081 7.113 99 HD21 ASN 14 HD21 ASN 14 -10.807 -7.132 7.683 100 HD22 ASN 14 HD22 ASN 14 -12.256 -8.042 7.900 101 H VAL 15 H VAL 15 -8.147 -5.859 4.094 102 HA VAL 15 HA VAL 15 -5.384 -6.830 4.410 103 HB VAL 15 HB VAL 15 -6.560 -5.192 2.145 104 HG11 VAL 15 HG11 VAL 15 -3.861 -6.531 2.414 105 HG12 VAL 15 HG12 VAL 15 -4.174 -4.795 2.397 106 HG13 VAL 15 HG13 VAL 15 -4.476 -5.758 0.953 107 HG21 VAL 15 HG21 VAL 15 -7.528 -7.432 2.195 108 HG22 VAL 15 HG22 VAL 15 -5.916 -8.148 2.261 109 HG23 VAL 15 HG23 VAL 15 -6.433 -7.264 0.825 110 H CYS 16 H CYS 16 -4.369 -5.647 5.927 111 HA CYS 16 HA CYS 16 -4.908 -2.746 6.094 112 HB2 CYS 16 HB2 CYS 16 -4.112 -2.894 8.411 113 HB3 CYS 16 HB3 CYS 16 -5.422 -4.037 8.126 114 HG CYS 16 HG CYS 16 -2.280 -5.216 7.746 115 H ILE 17 H ILE 17 -3.208 -1.261 6.335 116 HA ILE 17 HA ILE 17 -0.708 -1.956 5.085 117 HB ILE 17 HB ILE 17 -1.436 0.622 6.502 118 HG12 ILE 17 HG12 ILE 17 -1.650 -0.068 3.554 119 HG13 ILE 17 HG13 ILE 17 -3.010 0.093 4.662 120 HG21 ILE 17 HG21 ILE 17 0.974 0.315 6.188 121 HG22 ILE 17 HG22 ILE 17 0.361 1.616 5.167 122 HG23 ILE 17 HG23 ILE 17 0.722 0.037 4.464 123 HD11 ILE 17 HD11 ILE 17 -2.458 2.449 4.996 124 HD12 ILE 17 HD12 ILE 17 -2.748 2.077 3.297 125 HD13 ILE 17 HD13 ILE 17 -1.097 2.285 3.882 126 H GLU 18 H GLU 18 0.921 -2.932 6.149 127 HA GLU 18 HA GLU 18 0.963 -2.930 9.051 128 HB2 GLU 18 HB2 GLU 18 1.384 -5.008 7.757 129 HB3 GLU 18 HB3 GLU 18 2.858 -4.290 7.118 130 HG2 GLU 18 HG2 GLU 18 3.785 -4.155 9.374 131 HG3 GLU 18 HG3 GLU 18 2.296 -4.838 10.029 132 H GLU 19 H GLU 19 3.065 -1.759 6.422 133 HA GLU 19 HA GLU 19 4.165 0.230 8.230 134 HB2 GLU 19 HB2 GLU 19 5.638 -1.732 8.572 135 HB3 GLU 19 HB3 GLU 19 6.000 -1.743 6.853 136 HG2 GLU 19 HG2 GLU 19 7.804 -0.713 8.106 137 HG3 GLU 19 HG3 GLU 19 7.038 0.458 7.035 138 H ILE 20 H ILE 20 5.121 1.990 7.213 139 HA ILE 20 HA ILE 20 5.014 2.073 4.258 140 HB ILE 20 HB ILE 20 4.309 4.387 6.086 141 HG12 ILE 20 HG12 ILE 20 2.431 2.673 4.434 142 HG13 ILE 20 HG13 ILE 20 2.620 2.544 6.180 143 HG21 ILE 20 HG21 ILE 20 4.046 4.056 3.089 144 HG22 ILE 20 HG22 ILE 20 5.229 5.064 3.924 145 HG23 ILE 20 HG23 ILE 20 3.512 5.456 4.021 146 HD11 ILE 20 HD11 ILE 20 1.657 4.987 4.707 147 HD12 ILE 20 HD12 ILE 20 1.785 4.803 6.456 148 HD13 ILE 20 HD13 ILE 20 0.639 3.819 5.547 149 H ASP 21 H ASP 21 6.940 2.627 3.377 150 HA ASP 21 HA ASP 21 9.148 3.258 5.104 151 HB2 ASP 21 HB2 ASP 21 9.493 1.715 3.298 152 HB3 ASP 21 HB3 ASP 21 8.945 2.895 2.112 153 H VAL 22 H VAL 22 10.326 5.097 5.275 154 HA VAL 22 HA VAL 22 9.119 7.557 4.218 155 HB VAL 22 HB VAL 22 9.491 7.411 6.658 156 HG11 VAL 22 HG11 VAL 22 12.431 7.320 5.964 157 HG12 VAL 22 HG12 VAL 22 11.488 6.000 6.658 158 HG13 VAL 22 HG13 VAL 22 11.755 7.476 7.585 159 HG21 VAL 22 HG21 VAL 22 9.480 9.609 5.572 160 HG22 VAL 22 HG22 VAL 22 11.223 9.496 5.317 161 HG23 VAL 22 HG23 VAL 22 10.574 9.586 6.955 162 H ASP 23 H ASP 23 11.898 5.537 3.855 163 HA ASP 23 HA ASP 23 13.695 7.411 2.695 164 HB2 ASP 23 HB2 ASP 23 14.419 5.248 3.620 165 HB3 ASP 23 HB3 ASP 23 13.507 4.399 2.379 166 H GLY 24 H GLY 24 11.164 5.320 1.380 167 HA2 GLY 24 HA2 GLY 24 9.739 6.228 -0.334 168 HA3 GLY 24 HA3 GLY 24 11.122 7.080 -0.988 169 H LYS 25 H LYS 25 10.754 3.631 -0.139 170 HA LYS 25 HA LYS 25 11.175 3.006 -2.993 171 HB2 LYS 25 HB2 LYS 25 12.543 1.771 -0.603 172 HB3 LYS 25 HB3 LYS 25 12.573 1.047 -2.209 173 HG2 LYS 25 HG2 LYS 25 13.785 2.854 -3.120 174 HG3 LYS 25 HG3 LYS 25 13.478 3.873 -1.713 175 HD2 LYS 25 HD2 LYS 25 14.881 2.386 -0.344 176 HD3 LYS 25 HD3 LYS 25 15.195 1.383 -1.761 177 HE2 LYS 25 HE2 LYS 25 16.435 3.082 -2.822 178 HE3 LYS 25 HE3 LYS 25 15.819 4.325 -1.732 179 HZ1 LYS 25 HZ1 LYS 25 17.107 3.457 0.038 180 HZ2 LYS 25 HZ2 LYS 25 18.140 3.625 -1.292 181 HZ3 LYS 25 HZ3 LYS 25 17.567 2.093 -0.853 182 H PHE 26 H PHE 26 9.460 2.130 -0.048 183 HA PHE 26 HA PHE 26 7.769 0.362 -1.604 184 HB2 PHE 26 HB2 PHE 26 8.108 -1.626 -0.215 185 HB3 PHE 26 HB3 PHE 26 9.601 -1.147 -1.009 186 HD1 PHE 26 HD1 PHE 26 11.419 -0.087 0.310 187 HD2 PHE 26 HD2 PHE 26 7.914 -1.645 2.172 188 HE1 PHE 26 HE1 PHE 26 12.574 -0.085 2.483 189 HE2 PHE 26 HE2 PHE 26 9.066 -1.642 4.346 190 HZ PHE 26 HZ PHE 26 11.398 -0.864 4.505 191 H ILE 27 H ILE 27 5.788 -0.153 -0.695 192 HA ILE 27 HA ILE 27 5.233 0.753 2.072 193 HB ILE 27 HB ILE 27 3.284 0.809 -0.257 194 HG12 ILE 27 HG12 ILE 27 4.578 3.101 1.256 195 HG13 ILE 27 HG13 ILE 27 4.972 2.613 -0.389 196 HG21 ILE 27 HG21 ILE 27 2.927 1.662 2.623 197 HG22 ILE 27 HG22 ILE 27 2.170 0.275 1.838 198 HG23 ILE 27 HG23 ILE 27 1.753 1.912 1.330 199 HD11 ILE 27 HD11 ILE 27 2.707 3.202 -1.098 200 HD12 ILE 27 HD12 ILE 27 3.549 4.569 -0.372 201 HD13 ILE 27 HD13 ILE 27 2.326 3.698 0.552 202 H ARG 28 H ARG 28 4.675 -0.963 3.376 203 HA ARG 28 HA ARG 28 4.129 -3.507 1.995 204 HB2 ARG 28 HB2 ARG 28 6.153 -3.252 3.503 205 HB3 ARG 28 HB3 ARG 28 5.035 -3.184 4.859 206 HG2 ARG 28 HG2 ARG 28 4.226 -5.409 4.366 207 HG3 ARG 28 HG3 ARG 28 5.215 -5.480 2.908 208 HD2 ARG 28 HD2 ARG 28 6.370 -6.724 4.560 209 HD3 ARG 28 HD3 ARG 28 7.235 -5.197 4.394 210 HE ARG 28 HE ARG 28 5.339 -5.750 6.592 211 HH11 ARG 28 HH11 ARG 28 8.325 -4.465 5.454 212 HH12 ARG 28 HH12 ARG 28 8.813 -3.933 7.026 213 HH21 ARG 28 HH21 ARG 28 5.979 -5.095 8.583 214 HH22 ARG 28 HH22 ARG 28 7.507 -4.302 8.783 215 H LEU 29 H LEU 29 2.034 -3.960 1.854 216 HA LEU 29 HA LEU 29 0.246 -3.522 4.148 217 HB2 LEU 29 HB2 LEU 29 -0.332 -4.389 1.304 218 HB3 LEU 29 HB3 LEU 29 -1.549 -4.260 2.559 219 HG LEU 29 HG LEU 29 -0.969 -1.803 2.736 220 HD11 LEU 29 HD11 LEU 29 1.235 -1.864 1.688 221 HD12 LEU 29 HD12 LEU 29 0.156 -0.753 0.846 222 HD13 LEU 29 HD13 LEU 29 0.502 -2.339 0.155 223 HD21 LEU 29 HD21 LEU 29 -2.961 -2.599 1.588 224 HD22 LEU 29 HD22 LEU 29 -2.040 -2.813 0.100 225 HD23 LEU 29 HD23 LEU 29 -2.283 -1.196 0.763 226 H LYS 30 H LYS 30 -1.367 -5.399 4.540 227 HA LYS 30 HA LYS 30 -0.252 -8.052 4.057 228 HB2 LYS 30 HB2 LYS 30 0.913 -7.361 6.084 229 HB3 LYS 30 HB3 LYS 30 -0.613 -6.941 6.852 230 HG2 LYS 30 HG2 LYS 30 -1.286 -9.305 6.794 231 HG3 LYS 30 HG3 LYS 30 0.252 -9.716 6.028 232 HD2 LYS 30 HD2 LYS 30 0.333 -10.175 8.423 233 HD3 LYS 30 HD3 LYS 30 1.455 -8.881 8.002 234 HE2 LYS 30 HE2 LYS 30 -0.279 -7.234 8.729 235 HE3 LYS 30 HE3 LYS 30 -1.269 -8.587 9.279 236 HZ1 LYS 30 HZ1 LYS 30 0.546 -9.215 10.778 237 HZ2 LYS 30 HZ2 LYS 30 -0.037 -7.660 11.104 238 HZ3 LYS 30 HZ3 LYS 30 1.427 -7.861 10.282 239 H ASN 31 H ASN 31 -1.754 -9.669 4.061 240 HA ASN 31 HA ASN 31 -4.560 -8.896 4.504 241 HB2 ASN 31 HB2 ASN 31 -4.056 -9.822 2.301 242 HB3 ASN 31 HB3 ASN 31 -3.354 -11.260 3.039 243 HD21 ASN 31 HD21 ASN 31 -4.767 -12.662 2.058 244 HD22 ASN 31 HD22 ASN 31 -6.441 -12.751 2.470 245 H THR 32 H THR 32 -5.658 -9.636 6.240 246 HA THR 32 HA THR 32 -4.521 -11.929 7.730 247 HB THR 32 HB THR 32 -4.532 -9.766 8.992 248 HG1 THR 32 HG1 THR 32 -6.345 -11.640 10.155 249 HG21 THR 32 HG21 THR 32 -6.629 -8.852 9.813 250 HG22 THR 32 HG22 THR 32 -7.541 -10.076 8.928 251 HG23 THR 32 HG23 THR 32 -6.630 -8.848 8.049 252 H SER 33 H SER 33 -6.765 -11.520 5.522 253 HA SER 33 HA SER 33 -9.169 -12.518 6.657 254 HB2 SER 33 HB2 SER 33 -8.197 -12.820 3.798 255 HB3 SER 33 HB3 SER 33 -9.856 -13.020 4.356 256 HG SER 33 HG SER 33 -8.350 -10.692 4.002 257 H GLU 34 H GLU 34 -10.032 -14.624 6.718 258 HA GLU 34 HA GLU 34 -8.143 -16.699 7.225 259 HB2 GLU 34 HB2 GLU 34 -11.157 -16.799 6.983 260 HB3 GLU 34 HB3 GLU 34 -10.156 -18.123 7.568 261 HG2 GLU 34 HG2 GLU 34 -9.412 -16.756 9.444 262 HG3 GLU 34 HG3 GLU 34 -10.354 -15.395 8.841 263 H GLN 35 H GLN 35 -9.735 -15.699 4.347 264 HA GLN 35 HA GLN 35 -8.939 -18.199 2.991 265 HB2 GLN 35 HB2 GLN 35 -11.441 -17.851 3.201 266 HB3 GLN 35 HB3 GLN 35 -11.261 -16.430 2.180 267 HG2 GLN 35 HG2 GLN 35 -10.301 -17.919 0.409 268 HG3 GLN 35 HG3 GLN 35 -10.698 -19.298 1.431 269 HE21 GLN 35 HE21 GLN 35 -11.654 -18.638 -1.230 270 HE22 GLN 35 HE22 GLN 35 -13.376 -18.537 -1.115 271 H ASP 36 H ASP 36 -8.527 -17.899 0.621 272 HA ASP 36 HA ASP 36 -6.567 -16.022 0.047 273 HB2 ASP 36 HB2 ASP 36 -8.405 -17.308 -1.988 274 HB3 ASP 36 HB3 ASP 36 -6.766 -16.727 -2.253 275 H GLN 37 H GLN 37 -6.562 -13.921 -0.606 276 HA GLN 37 HA GLN 37 -9.149 -12.666 -1.302 277 HB2 GLN 37 HB2 GLN 37 -6.789 -11.561 0.219 278 HB3 GLN 37 HB3 GLN 37 -8.059 -10.533 -0.429 279 HG2 GLN 37 HG2 GLN 37 -8.522 -12.785 1.518 280 HG3 GLN 37 HG3 GLN 37 -8.321 -11.094 1.973 281 HE21 GLN 37 HE21 GLN 37 -9.952 -9.619 1.455 282 HE22 GLN 37 HE22 GLN 37 -11.546 -10.127 1.040 283 HA PRO 38 HA PRO 38 -6.999 -11.522 -5.155 284 HB2 PRO 38 HB2 PRO 38 -9.704 -10.746 -5.994 285 HB3 PRO 38 HB3 PRO 38 -8.618 -11.940 -6.708 286 HG2 PRO 38 HG2 PRO 38 -10.876 -12.650 -5.401 287 HG3 PRO 38 HG3 PRO 38 -9.415 -13.656 -5.394 288 HD2 PRO 38 HD2 PRO 38 -10.426 -11.771 -3.283 289 HD3 PRO 38 HD3 PRO 38 -9.746 -13.404 -3.103 290 H MET 39 H MET 39 -6.085 -9.537 -5.313 291 HA MET 39 HA MET 39 -6.697 -7.444 -3.570 292 HB2 MET 39 HB2 MET 39 -4.496 -7.819 -4.622 293 HB3 MET 39 HB3 MET 39 -5.150 -7.289 -6.164 294 HG2 MET 39 HG2 MET 39 -3.848 -5.532 -5.059 295 HG3 MET 39 HG3 MET 39 -5.535 -5.068 -5.283 296 HE1 MET 39 HE1 MET 39 -2.825 -6.287 -2.698 297 HE2 MET 39 HE2 MET 39 -4.077 -7.524 -2.550 298 HE3 MET 39 HE3 MET 39 -3.779 -6.404 -1.219 299 H GLY 40 H GLY 40 -8.111 -8.156 -6.644 300 HA2 GLY 40 HA2 GLY 40 -9.855 -7.186 -7.780 301 HA3 GLY 40 HA3 GLY 40 -10.176 -6.262 -6.323 302 H GLY 41 H GLY 41 -9.258 -4.177 -6.097 303 HA2 GLY 41 HA2 GLY 41 -7.468 -2.856 -7.678 304 HA3 GLY 41 HA3 GLY 41 -8.954 -2.790 -8.611 305 H TRP 42 H TRP 42 -8.031 -2.302 -5.177 306 HA TRP 42 HA TRP 42 -9.927 -0.157 -4.861 307 HB2 TRP 42 HB2 TRP 42 -7.647 -0.983 -3.041 308 HB3 TRP 42 HB3 TRP 42 -8.975 0.090 -2.611 309 HD1 TRP 42 HD1 TRP 42 -11.492 -1.463 -3.445 310 HE1 TRP 42 HE1 TRP 42 -12.117 -3.707 -2.355 311 HE3 TRP 42 HE3 TRP 42 -6.884 -2.830 -1.688 312 HZ2 TRP 42 HZ2 TRP 42 -10.833 -5.782 -0.944 313 HZ3 TRP 42 HZ3 TRP 42 -6.672 -4.958 -0.475 314 HH2 TRP 42 HH2 TRP 42 -8.608 -6.403 -0.110 315 H GLU 43 H GLU 43 -9.113 2.032 -3.929 316 HA GLU 43 HA GLU 43 -6.909 2.960 -5.669 317 HB2 GLU 43 HB2 GLU 43 -9.171 3.913 -6.121 318 HB3 GLU 43 HB3 GLU 43 -9.163 4.618 -4.509 319 HG2 GLU 43 HG2 GLU 43 -7.240 5.988 -5.083 320 HG3 GLU 43 HG3 GLU 43 -7.142 5.224 -6.668 321 H MET 44 H MET 44 -5.068 3.251 -4.608 322 HA MET 44 HA MET 44 -5.045 4.035 -1.794 323 HB2 MET 44 HB2 MET 44 -3.554 2.229 -2.436 324 HB3 MET 44 HB3 MET 44 -2.819 3.224 -3.686 325 HG2 MET 44 HG2 MET 44 -1.879 4.695 -1.997 326 HG3 MET 44 HG3 MET 44 -2.677 3.775 -0.725 327 HE1 MET 44 HE1 MET 44 0.691 2.033 -3.369 328 HE2 MET 44 HE2 MET 44 0.036 3.657 -3.577 329 HE3 MET 44 HE3 MET 44 -0.961 2.248 -3.947 330 H ILE 45 H ILE 45 -4.742 6.076 -1.136 331 HA ILE 45 HA ILE 45 -3.693 8.062 -3.063 332 HB ILE 45 HB ILE 45 -5.662 8.534 -0.810 333 HG12 ILE 45 HG12 ILE 45 -6.123 8.544 -3.810 334 HG13 ILE 45 HG13 ILE 45 -6.629 7.261 -2.714 335 HG21 ILE 45 HG21 ILE 45 -5.895 10.791 -1.770 336 HG22 ILE 45 HG22 ILE 45 -4.619 10.423 -2.929 337 HG23 ILE 45 HG23 ILE 45 -4.253 10.480 -1.205 338 HD11 ILE 45 HD11 ILE 45 -8.477 8.724 -3.293 339 HD12 ILE 45 HD12 ILE 45 -7.595 10.113 -2.658 340 HD13 ILE 45 HD13 ILE 45 -8.113 8.823 -1.570 341 H ARG 46 H ARG 46 -1.611 8.498 -2.503 342 HA ARG 46 HA ARG 46 -0.839 8.577 0.314 343 HB2 ARG 46 HB2 ARG 46 0.665 7.484 -1.310 344 HB3 ARG 46 HB3 ARG 46 0.849 9.013 -2.163 345 HG2 ARG 46 HG2 ARG 46 1.822 9.997 -0.097 346 HG3 ARG 46 HG3 ARG 46 1.733 8.404 0.656 347 HD2 ARG 46 HD2 ARG 46 3.979 8.807 -0.176 348 HD3 ARG 46 HD3 ARG 46 3.218 7.512 -1.098 349 HE ARG 46 HE ARG 46 3.141 8.893 -2.967 350 HH11 ARG 46 HH11 ARG 46 4.420 10.613 -0.253 351 HH12 ARG 46 HH12 ARG 46 5.018 11.912 -1.227 352 HH21 ARG 46 HH21 ARG 46 3.923 10.560 -4.183 353 HH22 ARG 46 HH22 ARG 46 4.734 11.884 -3.422 354 H LYS 47 H LYS 47 -1.409 10.405 1.346 355 HA LYS 47 HA LYS 47 -1.073 13.002 0.025 356 HB2 LYS 47 HB2 LYS 47 -2.556 12.065 2.446 357 HB3 LYS 47 HB3 LYS 47 -2.026 13.740 2.395 358 HG2 LYS 47 HG2 LYS 47 -3.221 13.992 0.227 359 HG3 LYS 47 HG3 LYS 47 -3.857 12.359 0.438 360 HD2 LYS 47 HD2 LYS 47 -5.146 12.975 2.302 361 HD3 LYS 47 HD3 LYS 47 -4.218 14.451 2.571 362 HE2 LYS 47 HE2 LYS 47 -6.081 13.930 0.248 363 HE3 LYS 47 HE3 LYS 47 -6.432 14.944 1.649 364 HZ1 LYS 47 HZ1 LYS 47 -5.748 16.315 -0.180 365 HZ2 LYS 47 HZ2 LYS 47 -4.329 15.425 -0.391 366 HZ3 LYS 47 HZ3 LYS 47 -4.537 16.360 0.999 367 H ILE 48 H ILE 48 0.599 14.320 0.424 368 HA ILE 48 HA ILE 48 2.155 13.947 2.891 369 HB ILE 48 HB ILE 48 3.432 12.768 1.241 370 HG12 ILE 48 HG12 ILE 48 4.691 15.494 1.677 371 HG13 ILE 48 HG13 ILE 48 4.682 14.185 2.853 372 HG21 ILE 48 HG21 ILE 48 3.300 15.249 -0.471 373 HG22 ILE 48 HG22 ILE 48 2.472 13.722 -0.779 374 HG23 ILE 48 HG23 ILE 48 4.233 13.797 -0.835 375 HD11 ILE 48 HD11 ILE 48 5.995 12.809 1.311 376 HD12 ILE 48 HD12 ILE 48 6.812 14.316 1.725 377 HD13 ILE 48 HD13 ILE 48 6.023 14.145 0.158 378 H GLY 49 H GLY 49 1.633 15.789 3.920 379 HA2 GLY 49 HA2 GLY 49 1.624 18.040 4.427 380 HA3 GLY 49 HA3 GLY 49 2.588 18.315 2.985 381 H ASP 50 H ASP 50 1.629 19.180 1.224 382 HA ASP 50 HA ASP 50 -1.238 19.800 1.419 383 HB2 ASP 50 HB2 ASP 50 0.947 21.077 -0.240 384 HB3 ASP 50 HB3 ASP 50 -0.737 21.595 -0.215 385 H THR 51 H THR 51 1.116 18.203 -0.641 386 HA THR 51 HA THR 51 -0.828 17.941 -2.821 387 HB THR 51 HB THR 51 1.462 18.547 -3.452 388 HG1 THR 51 HG1 THR 51 0.609 17.472 -5.119 389 HG21 THR 51 HG21 THR 51 3.301 16.938 -3.244 390 HG22 THR 51 HG22 THR 51 2.244 15.832 -2.367 391 HG23 THR 51 HG23 THR 51 2.677 17.386 -1.656 392 H SER 52 H SER 52 -0.885 15.765 -3.962 393 HA SER 52 HA SER 52 -0.580 13.416 -2.288 394 HB2 SER 52 HB2 SER 52 -2.943 12.750 -2.376 395 HB3 SER 52 HB3 SER 52 -2.770 14.292 -1.536 396 HG SER 52 HG SER 52 -4.445 13.921 -3.359 397 H VAL 53 H VAL 53 -0.714 11.462 -3.446 398 HA VAL 53 HA VAL 53 -1.252 11.636 -6.341 399 HB VAL 53 HB VAL 53 1.170 11.710 -6.107 400 HG11 VAL 53 HG11 VAL 53 1.394 10.699 -3.902 401 HG12 VAL 53 HG12 VAL 53 2.425 9.872 -5.071 402 HG13 VAL 53 HG13 VAL 53 0.909 9.132 -4.554 403 HG21 VAL 53 HG21 VAL 53 1.779 9.752 -7.458 404 HG22 VAL 53 HG22 VAL 53 0.269 10.476 -8.014 405 HG23 VAL 53 HG23 VAL 53 0.238 8.994 -7.057 406 H SER 54 H SER 54 -2.217 9.813 -7.254 407 HA SER 54 HA SER 54 -3.249 7.870 -5.288 408 HB2 SER 54 HB2 SER 54 -5.180 7.612 -6.793 409 HB3 SER 54 HB3 SER 54 -4.959 9.298 -6.324 410 HG SER 54 HG SER 54 -5.342 9.098 -8.565 411 H TYR 55 H TYR 55 -3.629 5.693 -5.945 412 HA TYR 55 HA TYR 55 -2.551 4.716 -8.456 413 HB2 TYR 55 HB2 TYR 55 -0.546 4.743 -7.035 414 HB3 TYR 55 HB3 TYR 55 -1.386 3.802 -5.806 415 HD1 TYR 55 HD1 TYR 55 -0.309 3.657 -9.367 416 HD2 TYR 55 HD2 TYR 55 -1.228 1.449 -5.846 417 HE1 TYR 55 HE1 TYR 55 0.458 1.598 -10.465 418 HE2 TYR 55 HE2 TYR 55 -0.460 -0.618 -6.936 419 HH TYR 55 HH TYR 55 -0.154 -1.493 -9.224 420 H LYS 56 H LYS 56 -4.158 3.443 -9.169 421 HA LYS 56 HA LYS 56 -5.835 1.979 -7.296 422 HB2 LYS 56 HB2 LYS 56 -6.854 3.061 -9.275 423 HB3 LYS 56 HB3 LYS 56 -5.908 2.008 -10.326 424 HG2 LYS 56 HG2 LYS 56 -7.038 0.046 -9.218 425 HG3 LYS 56 HG3 LYS 56 -8.095 1.202 -8.409 426 HD2 LYS 56 HD2 LYS 56 -9.173 0.291 -10.395 427 HD3 LYS 56 HD3 LYS 56 -8.866 2.019 -10.593 428 HE2 LYS 56 HE2 LYS 56 -8.324 0.740 -12.627 429 HE3 LYS 56 HE3 LYS 56 -6.907 1.545 -11.956 430 HZ1 LYS 56 HZ1 LYS 56 -7.593 -1.340 -11.782 431 HZ2 LYS 56 HZ2 LYS 56 -6.355 -0.630 -10.876 432 HZ3 LYS 56 HZ3 LYS 56 -6.269 -0.639 -12.562 433 H TYR 57 H TYR 57 -5.701 -0.152 -6.847 434 HA TYR 57 HA TYR 57 -3.409 -1.645 -7.659 435 HB2 TYR 57 HB2 TYR 57 -5.890 -2.451 -6.125 436 HB3 TYR 57 HB3 TYR 57 -4.501 -3.505 -6.371 437 HD1 TYR 57 HD1 TYR 57 -2.290 -2.875 -5.381 438 HD2 TYR 57 HD2 TYR 57 -5.866 -0.765 -4.429 439 HE1 TYR 57 HE1 TYR 57 -1.199 -1.935 -3.392 440 HE2 TYR 57 HE2 TYR 57 -4.779 0.180 -2.436 441 HH TYR 57 HH TYR 57 -2.892 -0.370 -0.928 442 H THR 58 H THR 58 -3.993 -4.143 -8.200 443 HA THR 58 HA THR 58 -5.986 -4.349 -10.323 444 HB THR 58 HB THR 58 -4.036 -3.545 -11.554 445 HG1 THR 58 HG1 THR 58 -4.454 -4.936 -13.091 446 HG21 THR 58 HG21 THR 58 -2.579 -5.939 -10.417 447 HG22 THR 58 HG22 THR 58 -2.263 -4.249 -10.020 448 HG23 THR 58 HG23 THR 58 -1.954 -4.845 -11.650 449 H SER 59 H SER 59 -6.669 -6.472 -10.707 450 HA SER 59 HA SER 59 -5.831 -8.375 -8.638 451 HB2 SER 59 HB2 SER 59 -8.252 -7.848 -8.892 452 HB3 SER 59 HB3 SER 59 -8.213 -8.569 -10.500 453 HG SER 59 HG SER 59 -8.248 -10.486 -9.632 454 H ARG 60 H ARG 60 -3.820 -8.921 -9.710 455 HA ARG 60 HA ARG 60 -4.236 -10.985 -11.793 456 HB2 ARG 60 HB2 ARG 60 -1.920 -10.582 -12.540 457 HB3 ARG 60 HB3 ARG 60 -2.926 -9.152 -12.710 458 HG2 ARG 60 HG2 ARG 60 -1.912 -8.101 -10.830 459 HG3 ARG 60 HG3 ARG 60 -1.091 -9.592 -10.360 460 HD2 ARG 60 HD2 ARG 60 0.372 -7.901 -11.494 461 HD3 ARG 60 HD3 ARG 60 0.351 -9.489 -12.263 462 HE ARG 60 HE ARG 60 -1.535 -7.604 -13.366 463 HH11 ARG 60 HH11 ARG 60 1.677 -8.854 -13.550 464 HH12 ARG 60 HH12 ARG 60 1.883 -8.345 -15.193 465 HH21 ARG 60 HH21 ARG 60 -1.255 -6.992 -15.469 466 HH22 ARG 60 HH22 ARG 60 0.257 -7.303 -16.256 467 H TYR 61 H TYR 61 -3.859 -10.737 -8.642 468 HA TYR 61 HA TYR 61 -2.541 -13.306 -8.367 469 HB2 TYR 61 HB2 TYR 61 -0.884 -12.548 -6.738 470 HB3 TYR 61 HB3 TYR 61 -0.650 -11.697 -8.262 471 HD1 TYR 61 HD1 TYR 61 -1.613 -9.325 -8.462 472 HD2 TYR 61 HD2 TYR 61 -1.189 -11.342 -4.734 473 HE1 TYR 61 HE1 TYR 61 -1.750 -7.175 -7.285 474 HE2 TYR 61 HE2 TYR 61 -1.332 -9.193 -3.550 475 HH TYR 61 HH TYR 61 -0.922 -6.789 -4.043 476 H VAL 62 H VAL 62 -2.972 -14.307 -6.327 477 HA VAL 62 HA VAL 62 -5.130 -13.001 -4.786 478 HB VAL 62 HB VAL 62 -4.697 -15.989 -4.995 479 HG11 VAL 62 HG11 VAL 62 -7.021 -16.086 -4.208 480 HG12 VAL 62 HG12 VAL 62 -7.054 -14.324 -4.109 481 HG13 VAL 62 HG13 VAL 62 -5.973 -15.246 -3.064 482 HG21 VAL 62 HG21 VAL 62 -6.563 -14.274 -6.650 483 HG22 VAL 62 HG22 VAL 62 -6.526 -16.037 -6.640 484 HG23 VAL 62 HG23 VAL 62 -5.140 -15.130 -7.244 485 H LEU 63 H LEU 63 -4.567 -12.438 -2.776 486 HA LEU 63 HA LEU 63 -2.044 -13.432 -1.672 487 HB2 LEU 63 HB2 LEU 63 -2.919 -10.928 -1.941 488 HB3 LEU 63 HB3 LEU 63 -3.650 -11.256 -0.385 489 HG LEU 63 HG LEU 63 -1.506 -10.090 -0.160 490 HD11 LEU 63 HD11 LEU 63 -2.181 -11.557 1.642 491 HD12 LEU 63 HD12 LEU 63 -0.430 -11.585 1.449 492 HD13 LEU 63 HD13 LEU 63 -1.405 -12.929 0.851 493 HD21 LEU 63 HD21 LEU 63 -0.287 -12.530 -1.462 494 HD22 LEU 63 HD22 LEU 63 0.596 -11.171 -0.763 495 HD23 LEU 63 HD23 LEU 63 -0.418 -10.925 -2.184 496 H LYS 64 H LYS 64 -1.998 -14.924 -0.080 497 HA LYS 64 HA LYS 64 -4.434 -15.822 1.190 498 HB2 LYS 64 HB2 LYS 64 -1.578 -16.745 1.216 499 HB3 LYS 64 HB3 LYS 64 -2.707 -17.360 2.415 500 HG2 LYS 64 HG2 LYS 64 -4.170 -18.161 0.601 501 HG3 LYS 64 HG3 LYS 64 -2.982 -17.600 -0.578 502 HD2 LYS 64 HD2 LYS 64 -1.353 -19.163 0.186 503 HD3 LYS 64 HD3 LYS 64 -2.314 -19.567 1.611 504 HE2 LYS 64 HE2 LYS 64 -2.402 -21.307 -0.147 505 HE3 LYS 64 HE3 LYS 64 -3.985 -20.639 0.240 506 HZ1 LYS 64 HZ1 LYS 64 -2.341 -19.742 -2.058 507 HZ2 LYS 64 HZ2 LYS 64 -3.956 -19.346 -1.736 508 HZ3 LYS 64 HZ3 LYS 64 -3.540 -20.930 -2.170 509 H ALA 65 H ALA 65 -3.672 -16.622 3.696 510 HA ALA 65 HA ALA 65 -3.992 -14.149 5.156 511 HB1 ALA 65 HB1 ALA 65 -3.886 -16.996 6.147 512 HB2 ALA 65 HB2 ALA 65 -5.342 -16.119 5.682 513 HB3 ALA 65 HB3 ALA 65 -4.404 -15.590 7.077 514 H GLY 66 H GLY 66 -2.637 -13.257 6.672 515 HA2 GLY 66 HA2 GLY 66 -0.767 -12.880 7.955 516 HA3 GLY 66 HA3 GLY 66 -0.406 -14.588 7.818 517 H GLN 67 H GLN 67 -0.700 -13.049 4.792 518 HA GLN 67 HA GLN 67 2.242 -12.958 4.542 519 HB2 GLN 67 HB2 GLN 67 1.081 -14.645 3.133 520 HB3 GLN 67 HB3 GLN 67 0.176 -13.354 2.359 521 HG2 GLN 67 HG2 GLN 67 2.010 -14.077 0.953 522 HG3 GLN 67 HG3 GLN 67 2.258 -12.414 1.480 523 HE21 GLN 67 HE21 GLN 67 2.827 -15.194 3.545 524 HE22 GLN 67 HE22 GLN 67 4.545 -15.021 3.604 525 H THR 68 H THR 68 3.240 -11.197 3.547 526 HA THR 68 HA THR 68 1.617 -8.742 3.507 527 HB THR 68 HB THR 68 3.690 -7.495 3.689 528 HG1 THR 68 HG1 THR 68 5.145 -8.706 2.514 529 HG21 THR 68 HG21 THR 68 2.729 -8.333 5.778 530 HG22 THR 68 HG22 THR 68 4.491 -8.294 5.875 531 HG23 THR 68 HG23 THR 68 3.656 -9.825 5.619 532 H VAL 69 H VAL 69 1.479 -7.406 1.753 533 HA VAL 69 HA VAL 69 2.904 -8.199 -0.708 534 HB VAL 69 HB VAL 69 0.514 -8.415 -1.042 535 HG11 VAL 69 HG11 VAL 69 0.290 -5.536 -0.157 536 HG12 VAL 69 HG12 VAL 69 -0.285 -6.949 0.727 537 HG13 VAL 69 HG13 VAL 69 -1.025 -6.513 -0.815 538 HG21 VAL 69 HG21 VAL 69 0.188 -6.894 -2.940 539 HG22 VAL 69 HG22 VAL 69 1.815 -7.575 -2.933 540 HG23 VAL 69 HG23 VAL 69 1.550 -5.916 -2.395 541 H THR 70 H THR 70 4.390 -6.806 -1.448 542 HA THR 70 HA THR 70 4.603 -4.192 -0.110 543 HB THR 70 HB THR 70 6.705 -5.769 -1.617 544 HG1 THR 70 HG1 THR 70 6.374 -6.762 0.334 545 HG21 THR 70 HG21 THR 70 8.294 -4.130 -0.693 546 HG22 THR 70 HG22 THR 70 6.945 -3.209 -0.031 547 HG23 THR 70 HG23 THR 70 7.128 -3.374 -1.778 548 H ILE 71 H ILE 71 4.188 -2.380 -1.196 549 HA ILE 71 HA ILE 71 3.992 -2.392 -4.107 550 HB ILE 71 HB ILE 71 3.429 -0.129 -2.169 551 HG12 ILE 71 HG12 ILE 71 1.924 -2.009 -1.725 552 HG13 ILE 71 HG13 ILE 71 1.035 -0.704 -2.502 553 HG21 ILE 71 HG21 ILE 71 2.175 0.848 -4.059 554 HG22 ILE 71 HG22 ILE 71 2.721 -0.478 -5.087 555 HG23 ILE 71 HG23 ILE 71 3.892 0.662 -4.423 556 HD11 ILE 71 HD11 ILE 71 1.162 -1.898 -4.630 557 HD12 ILE 71 HD12 ILE 71 0.376 -2.861 -3.380 558 HD13 ILE 71 HD13 ILE 71 2.044 -3.206 -3.841 559 H TRP 72 H TRP 72 5.943 -2.264 -5.063 560 HA TRP 72 HA TRP 72 8.119 -0.737 -3.884 561 HB2 TRP 72 HB2 TRP 72 8.002 -2.343 -6.453 562 HB3 TRP 72 HB3 TRP 72 9.459 -1.647 -5.752 563 HD1 TRP 72 HD1 TRP 72 6.955 -4.507 -5.228 564 HE1 TRP 72 HE1 TRP 72 8.020 -6.245 -3.654 565 HE3 TRP 72 HE3 TRP 72 11.165 -1.925 -3.899 566 HZ2 TRP 72 HZ2 TRP 72 10.334 -6.484 -2.059 567 HZ3 TRP 72 HZ3 TRP 72 12.753 -2.980 -2.342 568 HH2 TRP 72 HH2 TRP 72 12.343 -5.213 -1.443 569 H ALA 73 H ALA 73 8.862 1.225 -4.565 570 HA ALA 73 HA ALA 73 7.328 2.871 -6.281 571 HB1 ALA 73 HB1 ALA 73 8.724 3.779 -4.491 572 HB2 ALA 73 HB2 ALA 73 9.138 4.502 -6.047 573 HB3 ALA 73 HB3 ALA 73 10.174 3.259 -5.346 574 H ALA 74 H ALA 74 7.902 3.795 -8.359 575 HA ALA 74 HA ALA 74 8.569 1.938 -10.306 576 HB1 ALA 74 HB1 ALA 74 8.862 4.929 -10.578 577 HB2 ALA 74 HB2 ALA 74 7.346 4.042 -10.723 578 HB3 ALA 74 HB3 ALA 74 8.644 3.764 -11.885 579 H ASN 75 H ASN 75 10.746 4.124 -8.587 580 HA ASN 75 HA ASN 75 12.983 3.545 -10.333 581 HB2 ASN 75 HB2 ASN 75 12.885 5.054 -7.713 582 HB3 ASN 75 HB3 ASN 75 14.292 4.947 -8.767 583 HD21 ASN 75 HD21 ASN 75 12.963 7.329 -7.967 584 HD22 ASN 75 HD22 ASN 75 12.353 8.079 -9.393 585 H ALA 76 H ALA 76 11.570 1.580 -8.198 586 HA ALA 76 HA ALA 76 13.715 0.652 -6.588 587 HB1 ALA 76 HB1 ALA 76 11.253 -0.854 -7.477 588 HB2 ALA 76 HB2 ALA 76 11.373 0.181 -6.053 589 HB3 ALA 76 HB3 ALA 76 12.325 -1.300 -6.150 590 H GLY 77 H GLY 77 12.648 -0.202 -9.842 591 HA2 GLY 77 HA2 GLY 77 13.940 -1.128 -11.541 592 HA3 GLY 77 HA3 GLY 77 15.228 -1.397 -10.384 593 H VAL 78 H VAL 78 12.469 -2.711 -9.081 594 HA VAL 78 HA VAL 78 13.369 -5.404 -9.626 595 HB VAL 78 HB VAL 78 11.593 -6.115 -8.072 596 HG11 VAL 78 HG11 VAL 78 12.467 -5.009 -6.053 597 HG12 VAL 78 HG12 VAL 78 13.252 -3.798 -7.067 598 HG13 VAL 78 HG13 VAL 78 13.753 -5.486 -7.161 599 HG21 VAL 78 HG21 VAL 78 9.886 -4.467 -8.625 600 HG22 VAL 78 HG22 VAL 78 10.884 -3.179 -7.949 601 HG23 VAL 78 HG23 VAL 78 10.232 -4.434 -6.895 602 H THR 79 H THR 79 11.583 -7.120 -10.043 603 HA THR 79 HA THR 79 10.510 -6.633 -12.638 604 HB THR 79 HB THR 79 9.963 -8.953 -10.770 605 HG1 THR 79 HG1 THR 79 11.881 -8.557 -12.847 606 HG21 THR 79 HG21 THR 79 8.255 -8.787 -12.526 607 HG22 THR 79 HG22 THR 79 9.301 -10.180 -12.794 608 HG23 THR 79 HG23 THR 79 9.516 -8.717 -13.755 609 H ALA 80 H ALA 80 8.578 -5.883 -13.255 610 HA ALA 80 HA ALA 80 6.807 -4.701 -11.405 611 HB1 ALA 80 HB1 ALA 80 6.381 -5.257 -14.340 612 HB2 ALA 80 HB2 ALA 80 7.153 -3.827 -13.655 613 HB3 ALA 80 HB3 ALA 80 5.444 -4.136 -13.351 614 H SER 81 H SER 81 6.920 -7.947 -12.505 615 HA SER 81 HA SER 81 4.412 -8.518 -11.125 616 HB2 SER 81 HB2 SER 81 3.765 -8.137 -13.499 617 HB3 SER 81 HB3 SER 81 4.832 -9.457 -13.977 618 HG SER 81 HG SER 81 3.352 -10.831 -13.389 619 HA PRO 82 HA PRO 82 7.720 -11.583 -10.008 620 HB2 PRO 82 HB2 PRO 82 5.800 -11.773 -7.727 621 HB3 PRO 82 HB3 PRO 82 7.568 -11.733 -7.718 622 HG2 PRO 82 HG2 PRO 82 6.176 -9.568 -7.049 623 HG3 PRO 82 HG3 PRO 82 7.646 -9.421 -8.031 624 HD2 PRO 82 HD2 PRO 82 4.775 -9.255 -8.871 625 HD3 PRO 82 HD3 PRO 82 6.175 -8.325 -9.449 626 HA PRO 83 HA PRO 83 4.076 -10.989 -9.640 627 HB2 PRO 83 HB2 PRO 83 1.594 -11.881 -10.012 628 HB3 PRO 83 HB3 PRO 83 2.686 -11.636 -11.380 629 HG2 PRO 83 HG2 PRO 83 1.758 -14.161 -10.146 630 HG3 PRO 83 HG3 PRO 83 2.313 -13.853 -11.799 631 HD2 PRO 83 HD2 PRO 83 3.822 -14.920 -9.572 632 HD3 PRO 83 HD3 PRO 83 4.356 -14.676 -11.247 633 H THR 84 H THR 84 3.613 -10.254 -7.657 634 HA THR 84 HA THR 84 1.703 -11.378 -5.931 635 HB THR 84 HB THR 84 3.317 -13.047 -5.281 636 HG1 THR 84 HG1 THR 84 3.495 -11.190 -3.156 637 HG21 THR 84 HG21 THR 84 5.384 -11.952 -5.979 638 HG22 THR 84 HG22 THR 84 5.499 -12.483 -4.302 639 HG23 THR 84 HG23 THR 84 5.224 -10.780 -4.670 640 H ASP 85 H ASP 85 4.707 -9.453 -5.869 641 HA ASP 85 HA ASP 85 3.398 -7.336 -4.363 642 HB2 ASP 85 HB2 ASP 85 6.170 -7.391 -5.590 643 HB3 ASP 85 HB3 ASP 85 5.573 -6.241 -4.398 644 H LEU 86 H LEU 86 3.560 -5.047 -5.237 645 HA LEU 86 HA LEU 86 3.186 -4.978 -8.171 646 HB2 LEU 86 HB2 LEU 86 1.534 -3.531 -6.091 647 HB3 LEU 86 HB3 LEU 86 1.430 -3.238 -7.817 648 HG LEU 86 HG LEU 86 0.733 -5.830 -6.420 649 HD11 LEU 86 HD11 LEU 86 -0.884 -4.036 -6.008 650 HD12 LEU 86 HD12 LEU 86 -1.564 -5.303 -7.029 651 HD13 LEU 86 HD13 LEU 86 -1.041 -3.778 -7.748 652 HD21 LEU 86 HD21 LEU 86 1.613 -6.287 -8.633 653 HD22 LEU 86 HD22 LEU 86 0.551 -5.066 -9.338 654 HD23 LEU 86 HD23 LEU 86 -0.132 -6.528 -8.626 655 H ILE 87 H ILE 87 4.234 -3.400 -9.243 656 HA ILE 87 HA ILE 87 5.877 -1.540 -7.691 657 HB ILE 87 HB ILE 87 5.960 -2.414 -10.580 658 HG12 ILE 87 HG12 ILE 87 8.250 -3.134 -9.986 659 HG13 ILE 87 HG13 ILE 87 8.020 -2.530 -8.351 660 HG21 ILE 87 HG21 ILE 87 7.873 -0.888 -10.914 661 HG22 ILE 87 HG22 ILE 87 7.571 -0.183 -9.325 662 HG23 ILE 87 HG23 ILE 87 6.369 -0.020 -10.606 663 HD11 ILE 87 HD11 ILE 87 7.817 -4.957 -8.494 664 HD12 ILE 87 HD12 ILE 87 6.468 -4.780 -9.613 665 HD13 ILE 87 HD13 ILE 87 6.315 -4.210 -7.951 666 H TRP 88 H TRP 88 5.084 0.395 -7.261 667 HA TRP 88 HA TRP 88 2.880 1.621 -8.553 668 HB2 TRP 88 HB2 TRP 88 3.686 1.980 -6.169 669 HB3 TRP 88 HB3 TRP 88 4.976 2.971 -6.831 670 HD1 TRP 88 HD1 TRP 88 2.491 4.124 -9.008 671 HE1 TRP 88 HE1 TRP 88 1.135 6.104 -8.079 672 HE3 TRP 88 HE3 TRP 88 3.668 3.673 -4.054 673 HZ2 TRP 88 HZ2 TRP 88 0.632 7.316 -5.590 674 HZ3 TRP 88 HZ3 TRP 88 2.708 5.289 -2.464 675 HH2 TRP 88 HH2 TRP 88 1.223 7.073 -3.219 676 H LYS 89 H LYS 89 3.289 1.856 -10.777 677 HA LYS 89 HA LYS 89 5.687 3.121 -11.740 678 HB2 LYS 89 HB2 LYS 89 3.128 2.376 -13.174 679 HB3 LYS 89 HB3 LYS 89 4.571 2.990 -13.969 680 HG2 LYS 89 HG2 LYS 89 5.828 1.034 -13.091 681 HG3 LYS 89 HG3 LYS 89 4.319 0.402 -12.436 682 HD2 LYS 89 HD2 LYS 89 4.729 1.020 -15.366 683 HD3 LYS 89 HD3 LYS 89 5.044 -0.561 -14.658 684 HE2 LYS 89 HE2 LYS 89 2.857 -0.589 -15.654 685 HE3 LYS 89 HE3 LYS 89 2.675 -0.647 -13.904 686 HZ1 LYS 89 HZ1 LYS 89 2.000 1.597 -13.855 687 HZ2 LYS 89 HZ2 LYS 89 1.131 0.885 -15.115 688 HZ3 LYS 89 HZ3 LYS 89 2.463 1.868 -15.458 689 H ASN 90 H ASN 90 2.475 4.226 -10.913 690 HA ASN 90 HA ASN 90 2.438 6.639 -12.370 691 HB2 ASN 90 HB2 ASN 90 1.082 5.968 -9.749 692 HB3 ASN 90 HB3 ASN 90 0.705 7.363 -10.755 693 HD21 ASN 90 HD21 ASN 90 -0.398 7.061 -12.675 694 HD22 ASN 90 HD22 ASN 90 -1.195 5.580 -13.055 695 H GLN 91 H GLN 91 4.209 5.783 -9.535 696 HA GLN 91 HA GLN 91 5.196 8.551 -9.366 697 HB2 GLN 91 HB2 GLN 91 3.661 8.073 -7.445 698 HB3 GLN 91 HB3 GLN 91 4.739 6.771 -6.955 699 HG2 GLN 91 HG2 GLN 91 6.572 8.453 -6.762 700 HG3 GLN 91 HG3 GLN 91 5.382 9.713 -7.075 701 HE21 GLN 91 HE21 GLN 91 7.023 9.383 -4.761 702 HE22 GLN 91 HE22 GLN 91 5.965 9.182 -3.414 703 H ASN 92 H ASN 92 7.344 8.692 -9.536 704 HA ASN 92 HA ASN 92 8.931 6.382 -9.985 705 HB2 ASN 92 HB2 ASN 92 9.825 9.235 -9.496 706 HB3 ASN 92 HB3 ASN 92 10.799 7.951 -10.210 707 HD21 ASN 92 HD21 ASN 92 10.238 7.183 -12.288 708 HD22 ASN 92 HD22 ASN 92 9.286 8.141 -13.363 709 H SER 93 H SER 93 8.949 8.769 -7.324 710 HA SER 93 HA SER 93 9.355 6.847 -5.300 711 HB2 SER 93 HB2 SER 93 11.611 6.622 -6.224 712 HB3 SER 93 HB3 SER 93 11.855 8.366 -6.111 713 HG SER 93 HG SER 93 11.933 6.419 -4.132 714 H TRP 94 H TRP 94 10.341 8.050 -3.235 715 HA TRP 94 HA TRP 94 9.793 10.886 -3.127 716 HB2 TRP 94 HB2 TRP 94 8.121 10.795 -1.361 717 HB3 TRP 94 HB3 TRP 94 7.532 9.918 -2.763 718 HD1 TRP 94 HD1 TRP 94 8.432 9.468 0.889 719 HE1 TRP 94 HE1 TRP 94 7.759 7.102 1.656 720 HE3 TRP 94 HE3 TRP 94 7.300 7.426 -3.666 721 HZ2 TRP 94 HZ2 TRP 94 6.859 4.698 0.486 722 HZ3 TRP 94 HZ3 TRP 94 6.539 5.089 -3.755 723 HH2 TRP 94 HH2 TRP 94 6.324 3.749 -1.721 724 H GLY 95 H GLY 95 10.010 11.521 -0.573 725 HA2 GLY 95 HA2 GLY 95 11.227 10.226 1.392 726 HA3 GLY 95 HA3 GLY 95 12.557 10.316 0.249 727 H THR 96 H THR 96 10.063 12.605 1.403 728 HA THR 96 HA THR 96 11.950 14.793 1.427 729 HB THR 96 HB THR 96 10.080 16.154 2.268 730 HG1 THR 96 HG1 THR 96 8.049 15.139 2.629 731 HG21 THR 96 HG21 THR 96 8.541 15.879 0.371 732 HG22 THR 96 HG22 THR 96 9.248 14.301 0.026 733 HG23 THR 96 HG23 THR 96 10.223 15.761 -0.147 734 H GLY 97 H GLY 97 10.289 12.820 3.848 735 HA2 GLY 97 HA2 GLY 97 11.467 12.256 5.906 736 HA3 GLY 97 HA3 GLY 97 12.138 13.879 5.905 737 H GLU 98 H GLU 98 9.398 14.909 5.081 738 HA GLU 98 HA GLU 98 8.415 15.413 7.732 739 HB2 GLU 98 HB2 GLU 98 7.444 16.207 4.984 740 HB3 GLU 98 HB3 GLU 98 6.594 16.665 6.453 741 HG2 GLU 98 HG2 GLU 98 9.484 17.343 5.940 742 HG3 GLU 98 HG3 GLU 98 8.144 18.396 5.492 743 H ASP 99 H ASP 99 5.841 15.424 7.856 744 HA ASP 99 HA ASP 99 5.115 12.713 8.200 745 HB2 ASP 99 HB2 ASP 99 2.909 13.668 8.897 746 HB3 ASP 99 HB3 ASP 99 4.291 14.385 9.717 747 H VAL 100 H VAL 100 4.242 11.315 6.818 748 HA VAL 100 HA VAL 100 2.535 12.305 4.635 749 HB VAL 100 HB VAL 100 4.651 11.913 3.566 750 HG11 VAL 100 HG11 VAL 100 4.615 9.159 4.798 751 HG12 VAL 100 HG12 VAL 100 5.694 10.485 5.234 752 HG13 VAL 100 HG13 VAL 100 5.803 9.750 3.634 753 HG21 VAL 100 HG21 VAL 100 4.061 10.185 1.930 754 HG22 VAL 100 HG22 VAL 100 2.672 11.203 2.312 755 HG23 VAL 100 HG23 VAL 100 2.800 9.586 3.007 756 H LYS 101 H LYS 101 0.748 11.108 4.229 757 HA LYS 101 HA LYS 101 0.354 8.648 5.821 758 HB2 LYS 101 HB2 LYS 101 -0.850 10.519 6.833 759 HB3 LYS 101 HB3 LYS 101 -1.628 10.877 5.298 760 HG2 LYS 101 HG2 LYS 101 -2.811 8.751 5.374 761 HG3 LYS 101 HG3 LYS 101 -1.993 8.333 6.880 762 HD2 LYS 101 HD2 LYS 101 -4.223 9.121 7.374 763 HD3 LYS 101 HD3 LYS 101 -3.052 10.298 7.959 764 HE2 LYS 101 HE2 LYS 101 -4.354 10.597 5.263 765 HE3 LYS 101 HE3 LYS 101 -5.150 11.152 6.731 766 HZ1 LYS 101 HZ1 LYS 101 -3.204 12.547 7.179 767 HZ2 LYS 101 HZ2 LYS 101 -3.962 12.954 5.729 768 HZ3 LYS 101 HZ3 LYS 101 -2.519 12.077 5.710 769 H VAL 102 H VAL 102 -0.568 6.922 4.822 770 HA VAL 102 HA VAL 102 -1.311 7.220 1.980 771 HB VAL 102 HB VAL 102 -0.347 4.760 3.462 772 HG11 VAL 102 HG11 VAL 102 -1.941 4.133 1.734 773 HG12 VAL 102 HG12 VAL 102 -0.309 3.678 1.245 774 HG13 VAL 102 HG13 VAL 102 -1.073 5.108 0.548 775 HG21 VAL 102 HG21 VAL 102 1.430 6.388 3.060 776 HG22 VAL 102 HG22 VAL 102 1.004 6.452 1.351 777 HG23 VAL 102 HG23 VAL 102 1.650 4.963 2.042 778 H ILE 103 H ILE 103 -3.359 6.964 1.441 779 HA ILE 103 HA ILE 103 -5.267 5.878 3.401 780 HB ILE 103 HB ILE 103 -5.750 7.627 0.971 781 HG12 ILE 103 HG12 ILE 103 -4.539 8.799 2.780 782 HG13 ILE 103 HG13 ILE 103 -6.169 9.432 2.578 783 HG21 ILE 103 HG21 ILE 103 -7.675 6.222 1.446 784 HG22 ILE 103 HG22 ILE 103 -8.024 7.898 1.869 785 HG23 ILE 103 HG23 ILE 103 -7.656 6.729 3.138 786 HD11 ILE 103 HD11 ILE 103 -5.229 7.549 4.729 787 HD12 ILE 103 HD12 ILE 103 -6.894 8.090 4.511 788 HD13 ILE 103 HD13 ILE 103 -5.634 9.254 4.914 789 H LEU 104 H LEU 104 -6.450 4.076 2.977 790 HA LEU 104 HA LEU 104 -6.404 2.973 0.234 791 HB2 LEU 104 HB2 LEU 104 -6.834 1.560 2.873 792 HB3 LEU 104 HB3 LEU 104 -7.036 0.800 1.307 793 HG LEU 104 HG LEU 104 -4.457 1.868 2.465 794 HD11 LEU 104 HD11 LEU 104 -5.195 -0.249 3.430 795 HD12 LEU 104 HD12 LEU 104 -3.766 -0.475 2.424 796 HD13 LEU 104 HD13 LEU 104 -5.355 -0.939 1.815 797 HD21 LEU 104 HD21 LEU 104 -3.392 0.955 0.442 798 HD22 LEU 104 HD22 LEU 104 -4.499 2.274 0.066 799 HD23 LEU 104 HD23 LEU 104 -4.984 0.604 -0.230 800 H LYS 105 H LYS 105 -8.201 3.684 -0.789 801 HA LYS 105 HA LYS 105 -10.769 3.536 0.653 802 HB2 LYS 105 HB2 LYS 105 -10.001 5.135 -1.798 803 HB3 LYS 105 HB3 LYS 105 -11.633 5.040 -1.147 804 HG2 LYS 105 HG2 LYS 105 -10.788 5.979 0.989 805 HG3 LYS 105 HG3 LYS 105 -9.207 6.178 0.233 806 HD2 LYS 105 HD2 LYS 105 -10.174 7.689 -1.424 807 HD3 LYS 105 HD3 LYS 105 -11.776 7.458 -0.719 808 HE2 LYS 105 HE2 LYS 105 -9.381 8.700 0.642 809 HE3 LYS 105 HE3 LYS 105 -10.800 9.558 0.043 810 HZ1 LYS 105 HZ1 LYS 105 -10.644 7.665 2.319 811 HZ2 LYS 105 HZ2 LYS 105 -12.117 8.141 1.631 812 HZ3 LYS 105 HZ3 LYS 105 -11.103 9.288 2.343 813 H ASN 106 H ASN 106 -12.293 2.156 0.048 814 HA ASN 106 HA ASN 106 -11.688 0.092 -1.827 815 HB2 ASN 106 HB2 ASN 106 -14.306 0.650 -0.407 816 HB3 ASN 106 HB3 ASN 106 -13.829 -0.869 -1.164 817 HD21 ASN 106 HD21 ASN 106 -13.955 -2.075 0.694 818 HD22 ASN 106 HD22 ASN 106 -12.870 -1.879 2.020 819 H SER 107 H SER 107 -13.027 -0.562 -3.629 820 HA SER 107 HA SER 107 -13.312 1.426 -5.554 821 HB2 SER 107 HB2 SER 107 -14.633 -1.301 -5.549 822 HB3 SER 107 HB3 SER 107 -14.313 -0.300 -6.966 823 HG SER 107 HG SER 107 -12.197 -0.722 -6.820 824 H GLN 108 H GLN 108 -15.562 0.597 -3.093 825 HA GLN 108 HA GLN 108 -17.810 1.757 -4.588 826 HB2 GLN 108 HB2 GLN 108 -17.745 0.185 -2.006 827 HB3 GLN 108 HB3 GLN 108 -19.207 0.879 -2.701 828 HG2 GLN 108 HG2 GLN 108 -18.875 -0.484 -4.724 829 HG3 GLN 108 HG3 GLN 108 -17.442 -1.201 -3.991 830 HE21 GLN 108 HE21 GLN 108 -19.900 -2.460 -4.913 831 HE22 GLN 108 HE22 GLN 108 -20.553 -3.299 -3.550 832 H GLY 109 H GLY 109 -15.437 3.096 -2.914 833 HA2 GLY 109 HA2 GLY 109 -15.546 5.467 -2.607 834 HA3 GLY 109 HA3 GLY 109 -17.227 5.308 -2.138 835 H GLU 110 H GLU 110 -16.390 3.015 -0.278 836 HA GLU 110 HA GLU 110 -15.997 4.692 2.023 837 HB2 GLU 110 HB2 GLU 110 -16.211 2.650 3.333 838 HB3 GLU 110 HB3 GLU 110 -17.479 2.744 2.121 839 HG2 GLU 110 HG2 GLU 110 -16.227 1.173 0.703 840 HG3 GLU 110 HG3 GLU 110 -14.989 1.057 1.953 841 H GLU 111 H GLU 111 -14.396 3.750 3.781 842 HA GLU 111 HA GLU 111 -11.741 3.411 2.526 843 HB2 GLU 111 HB2 GLU 111 -12.123 5.769 3.169 844 HB3 GLU 111 HB3 GLU 111 -12.440 5.260 4.822 845 HG2 GLU 111 HG2 GLU 111 -10.129 4.425 4.988 846 HG3 GLU 111 HG3 GLU 111 -9.822 4.994 3.345 847 H VAL 112 H VAL 112 -10.272 2.098 3.630 848 HA VAL 112 HA VAL 112 -11.326 0.744 6.041 849 HB VAL 112 HB VAL 112 -9.948 -1.239 5.371 850 HG11 VAL 112 HG11 VAL 112 -12.103 -0.376 3.435 851 HG12 VAL 112 HG12 VAL 112 -12.350 -1.185 4.983 852 HG13 VAL 112 HG13 VAL 112 -11.533 -2.028 3.669 853 HG21 VAL 112 HG21 VAL 112 -8.374 -0.106 3.877 854 HG22 VAL 112 HG22 VAL 112 -9.685 0.258 2.754 855 HG23 VAL 112 HG23 VAL 112 -9.205 -1.415 3.039 856 H ALA 113 H ALA 113 -8.446 2.222 4.637 857 HA ALA 113 HA ALA 113 -7.136 2.020 7.262 858 HB1 ALA 113 HB1 ALA 113 -6.287 0.166 5.895 859 HB2 ALA 113 HB2 ALA 113 -5.022 1.334 6.281 860 HB3 ALA 113 HB3 ALA 113 -5.750 1.320 4.674 861 H GLN 114 H GLN 114 -5.492 3.564 7.678 862 HA GLN 114 HA GLN 114 -5.033 5.746 5.825 863 HB2 GLN 114 HB2 GLN 114 -5.955 7.481 7.338 864 HB3 GLN 114 HB3 GLN 114 -7.197 6.403 6.716 865 HG2 GLN 114 HG2 GLN 114 -7.216 5.187 8.835 866 HG3 GLN 114 HG3 GLN 114 -5.945 6.240 9.454 867 HE21 GLN 114 HE21 GLN 114 -8.659 7.314 7.481 868 HE22 GLN 114 HE22 GLN 114 -9.402 8.254 8.723 869 H ARG 115 H ARG 115 -3.161 4.063 6.814 870 HA ARG 115 HA ARG 115 -2.007 4.927 9.303 871 HB2 ARG 115 HB2 ARG 115 -1.827 2.600 8.364 872 HB3 ARG 115 HB3 ARG 115 -0.726 3.229 7.146 873 HG2 ARG 115 HG2 ARG 115 0.773 3.991 9.015 874 HG3 ARG 115 HG3 ARG 115 -0.290 3.130 10.130 875 HD2 ARG 115 HD2 ARG 115 0.120 1.059 8.764 876 HD3 ARG 115 HD3 ARG 115 1.346 1.964 7.880 877 HE ARG 115 HE ARG 115 1.503 1.014 10.628 878 HH11 ARG 115 HH11 ARG 115 2.951 2.947 8.162 879 HH12 ARG 115 HH12 ARG 115 4.531 2.818 8.853 880 HH21 ARG 115 HH21 ARG 115 3.533 0.861 11.480 881 HH22 ARG 115 HH22 ARG 115 4.858 1.655 10.691 882 H SER 116 H SER 116 -0.026 6.013 9.634 883 HA SER 116 HA SER 116 1.031 7.515 7.310 884 HB2 SER 116 HB2 SER 116 1.693 9.296 8.842 885 HB3 SER 116 HB3 SER 116 -0.029 8.971 9.026 886 HG SER 116 HG SER 116 2.104 8.328 10.767 887 H THR 117 H THR 117 3.397 8.243 7.728 888 HA THR 117 HA THR 117 4.972 5.903 8.368 889 HB THR 117 HB THR 117 6.939 7.363 7.828 890 HG1 THR 117 HG1 THR 117 6.480 9.448 6.968 891 HG21 THR 117 HG21 THR 117 4.724 7.303 5.768 892 HG22 THR 117 HG22 THR 117 5.899 6.024 6.076 893 HG23 THR 117 HG23 THR 117 6.431 7.575 5.423 894 H VAL 118 H VAL 118 6.979 6.179 9.748 895 HA VAL 118 HA VAL 118 6.422 7.815 12.142 896 HB VAL 118 HB VAL 118 6.018 5.477 12.686 897 HG11 VAL 118 HG11 VAL 118 7.360 4.412 10.957 898 HG12 VAL 118 HG12 VAL 118 7.795 3.783 12.547 899 HG13 VAL 118 HG13 VAL 118 8.843 4.954 11.746 900 HG21 VAL 118 HG21 VAL 118 7.022 6.898 14.411 901 HG22 VAL 118 HG22 VAL 118 8.634 6.428 13.870 902 HG23 VAL 118 HG23 VAL 118 7.554 5.224 14.574 903 H PHE 119 H PHE 119 8.039 9.133 12.800 904 HA PHE 119 HA PHE 119 10.711 8.743 11.616 905 HB2 PHE 119 HB2 PHE 119 10.885 11.260 11.480 906 HB3 PHE 119 HB3 PHE 119 9.755 10.519 10.357 907 HD1 PHE 119 HD1 PHE 119 7.292 10.661 10.814 908 HD2 PHE 119 HD2 PHE 119 10.155 12.865 13.080 909 HE1 PHE 119 HE1 PHE 119 5.513 12.170 11.592 910 HE2 PHE 119 HE2 PHE 119 8.374 14.374 13.858 911 HZ PHE 119 HZ PHE 119 6.053 14.031 13.115 912 H LYS 120 H LYS 120 12.094 8.296 13.137 913 HA LYS 120 HA LYS 120 12.282 9.980 15.534 914 HB2 LYS 120 HB2 LYS 120 12.209 6.945 15.597 915 HB3 LYS 120 HB3 LYS 120 12.664 7.957 16.958 916 HG2 LYS 120 HG2 LYS 120 10.428 8.888 17.063 917 HG3 LYS 120 HG3 LYS 120 9.957 7.983 15.622 918 HD2 LYS 120 HD2 LYS 120 9.128 6.834 17.577 919 HD3 LYS 120 HD3 LYS 120 10.410 5.871 16.846 920 HE2 LYS 120 HE2 LYS 120 10.718 5.836 19.219 921 HE3 LYS 120 HE3 LYS 120 11.993 6.833 18.524 922 HZ1 LYS 120 HZ1 LYS 120 9.501 7.862 19.772 923 HZ2 LYS 120 HZ2 LYS 120 10.760 8.802 19.149 924 HZ3 LYS 120 HZ3 LYS 120 11.022 7.834 20.507 925 H THR 121 H THR 121 13.837 9.733 13.046 926 HA THR 121 HA THR 121 15.876 9.218 12.149 927 HB THR 121 HB THR 121 17.829 9.918 13.430 928 HG1 THR 121 HG1 THR 121 17.511 9.104 15.465 929 HG21 THR 121 HG21 THR 121 17.134 12.193 14.054 930 HG22 THR 121 HG22 THR 121 15.445 11.683 14.006 931 HG23 THR 121 HG23 THR 121 16.409 11.687 12.529 932 H THR 122 H THR 122 15.132 6.917 12.051 933 HA THR 122 HA THR 122 16.901 5.159 13.589 934 HB THR 122 HB THR 122 15.009 5.121 15.006 935 HG1 THR 122 HG1 THR 122 15.893 3.007 14.241 936 HG21 THR 122 HG21 THR 122 12.719 4.677 14.265 937 HG22 THR 122 HG22 THR 122 13.263 4.623 12.589 938 HG23 THR 122 HG23 THR 122 13.363 6.130 13.500 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -21.068 -9.191 -25.976 2 H2 MET 1 H2 MET 1 -21.293 -7.979 -24.820 3 H3 MET 1 H3 MET 1 -22.597 -8.938 -25.299 4 HA MET 1 HA MET 1 -21.794 -9.595 -23.131 5 HB2 MET 1 HB2 MET 1 -21.416 -11.531 -25.416 6 HB3 MET 1 HB3 MET 1 -21.281 -12.039 -23.739 7 HG2 MET 1 HG2 MET 1 -23.711 -10.775 -24.992 8 HG3 MET 1 HG3 MET 1 -23.495 -12.495 -24.667 9 HE1 MET 1 HE1 MET 1 -26.165 -11.420 -21.996 10 HE2 MET 1 HE2 MET 1 -25.803 -12.512 -23.331 11 HE3 MET 1 HE3 MET 1 -26.014 -10.788 -23.635 12 H GLY 2 H GLY 2 -20.102 -9.157 -21.884 13 HA2 GLY 2 HA2 GLY 2 -17.469 -10.240 -22.668 14 HA3 GLY 2 HA3 GLY 2 -17.600 -8.585 -22.095 15 H HIS 3 H HIS 3 -16.756 -8.511 -20.092 16 HA HIS 3 HA HIS 3 -16.881 -10.765 -18.300 17 HB2 HIS 3 HB2 HIS 3 -15.649 -9.332 -16.726 18 HB3 HIS 3 HB3 HIS 3 -14.908 -9.313 -18.321 19 HD1 HIS 3 HD1 HIS 3 -15.321 -7.100 -19.758 20 HD2 HIS 3 HD2 HIS 3 -16.397 -6.879 -15.752 21 HE1 HIS 3 HE1 HIS 3 -15.558 -4.654 -19.260 22 HE2 HIS 3 HE2 HIS 3 -16.354 -4.554 -16.877 23 H HIS 4 H HIS 4 -18.473 -11.233 -16.919 24 HA HIS 4 HA HIS 4 -20.790 -9.583 -16.683 25 HB2 HIS 4 HB2 HIS 4 -19.982 -12.123 -15.248 26 HB3 HIS 4 HB3 HIS 4 -21.547 -11.342 -15.044 27 HD1 HIS 4 HD1 HIS 4 -23.275 -12.485 -16.381 28 HD2 HIS 4 HD2 HIS 4 -19.589 -12.515 -18.309 29 HE1 HIS 4 HE1 HIS 4 -23.656 -13.692 -18.548 30 HE2 HIS 4 HE2 HIS 4 -21.399 -13.786 -19.649 31 H HIS 5 H HIS 5 -18.069 -10.270 -14.534 32 HA HIS 5 HA HIS 5 -17.213 -9.150 -12.755 33 HB2 HIS 5 HB2 HIS 5 -17.573 -7.254 -14.451 34 HB3 HIS 5 HB3 HIS 5 -18.984 -6.815 -13.495 35 HD1 HIS 5 HD1 HIS 5 -15.234 -6.945 -13.343 36 HD2 HIS 5 HD2 HIS 5 -18.414 -5.457 -11.116 37 HE1 HIS 5 HE1 HIS 5 -14.204 -5.446 -11.613 38 HE2 HIS 5 HE2 HIS 5 -16.124 -4.700 -10.181 39 H HIS 6 H HIS 6 -19.318 -10.855 -12.121 40 HA HIS 6 HA HIS 6 -20.606 -9.419 -9.881 41 HB2 HIS 6 HB2 HIS 6 -21.655 -11.681 -11.576 42 HB3 HIS 6 HB3 HIS 6 -22.311 -11.354 -9.975 43 HD1 HIS 6 HD1 HIS 6 -22.684 -10.380 -13.454 44 HD2 HIS 6 HD2 HIS 6 -23.398 -8.622 -9.756 45 HE1 HIS 6 HE1 HIS 6 -24.231 -8.456 -13.911 46 HE2 HIS 6 HE2 HIS 6 -24.723 -7.464 -11.653 47 H HIS 7 H HIS 7 -19.757 -9.888 -7.986 48 HA HIS 7 HA HIS 7 -19.037 -12.658 -7.331 49 HB2 HIS 7 HB2 HIS 7 -16.990 -11.326 -8.109 50 HB3 HIS 7 HB3 HIS 7 -17.188 -10.354 -6.658 51 HD1 HIS 7 HD1 HIS 7 -15.938 -11.160 -4.676 52 HD2 HIS 7 HD2 HIS 7 -16.583 -14.193 -7.442 53 HE1 HIS 7 HE1 HIS 7 -14.671 -13.146 -3.806 54 HE2 HIS 7 HE2 HIS 7 -14.934 -14.905 -5.579 55 H HIS 8 H HIS 8 -20.431 -13.054 -5.696 56 HA HIS 8 HA HIS 8 -21.512 -10.827 -4.169 57 HB2 HIS 8 HB2 HIS 8 -23.238 -12.378 -3.463 58 HB3 HIS 8 HB3 HIS 8 -23.001 -12.508 -5.201 59 HD1 HIS 8 HD1 HIS 8 -21.769 -14.705 -6.050 60 HD2 HIS 8 HD2 HIS 8 -22.816 -14.694 -2.026 61 HE1 HIS 8 HE1 HIS 8 -21.605 -17.096 -5.304 62 HE2 HIS 8 HE2 HIS 8 -22.354 -17.083 -2.905 63 H SER 9 H SER 9 -18.752 -12.086 -3.541 64 HA SER 9 HA SER 9 -18.929 -13.463 -1.080 65 HB2 SER 9 HB2 SER 9 -16.875 -13.554 -2.349 66 HB3 SER 9 HB3 SER 9 -16.660 -11.809 -2.212 67 HG SER 9 HG SER 9 -15.579 -13.455 -0.655 68 H HIS 10 H HIS 10 -19.245 -12.815 0.957 69 HA HIS 10 HA HIS 10 -19.538 -9.954 1.525 70 HB2 HIS 10 HB2 HIS 10 -20.264 -12.420 3.123 71 HB3 HIS 10 HB3 HIS 10 -20.502 -10.774 3.697 72 HD1 HIS 10 HD1 HIS 10 -22.574 -9.567 2.925 73 HD2 HIS 10 HD2 HIS 10 -21.943 -13.120 0.870 74 HE1 HIS 10 HE1 HIS 10 -24.654 -9.944 1.581 75 HE2 HIS 10 HE2 HIS 10 -24.172 -11.995 0.212 76 H MET 11 H MET 11 -16.930 -11.761 1.388 77 HA MET 11 HA MET 11 -15.751 -11.513 3.974 78 HB2 MET 11 HB2 MET 11 -14.510 -11.945 1.248 79 HB3 MET 11 HB3 MET 11 -13.590 -11.951 2.749 80 HG2 MET 11 HG2 MET 11 -15.842 -13.833 2.061 81 HG3 MET 11 HG3 MET 11 -14.121 -14.212 1.996 82 HE1 MET 11 HE1 MET 11 -13.032 -12.700 4.580 83 HE2 MET 11 HE2 MET 11 -12.549 -14.345 4.169 84 HE3 MET 11 HE3 MET 11 -13.120 -13.974 5.797 85 H THR 12 H THR 12 -15.372 -9.625 4.921 86 HA THR 12 HA THR 12 -15.155 -7.153 3.544 87 HB THR 12 HB THR 12 -14.560 -6.178 5.736 88 HG1 THR 12 HG1 THR 12 -14.849 -8.077 7.442 89 HG21 THR 12 HG21 THR 12 -16.815 -8.193 5.864 90 HG22 THR 12 HG22 THR 12 -16.921 -6.560 5.204 91 HG23 THR 12 HG23 THR 12 -16.623 -6.797 6.926 92 H GLY 13 H GLY 13 -13.344 -5.655 3.571 93 HA2 GLY 13 HA2 GLY 13 -10.931 -6.933 2.669 94 HA3 GLY 13 HA3 GLY 13 -11.227 -5.206 2.752 95 H ASN 14 H ASN 14 -10.431 -8.022 4.759 96 HA ASN 14 HA ASN 14 -9.486 -6.401 6.951 97 HB2 ASN 14 HB2 ASN 14 -9.275 -9.381 6.439 98 HB3 ASN 14 HB3 ASN 14 -8.830 -8.584 7.947 99 HD21 ASN 14 HD21 ASN 14 -11.478 -9.458 5.854 100 HD22 ASN 14 HD22 ASN 14 -12.729 -9.220 7.017 101 H VAL 15 H VAL 15 -8.069 -5.421 4.958 102 HA VAL 15 HA VAL 15 -5.391 -6.663 5.075 103 HB VAL 15 HB VAL 15 -6.415 -4.592 3.109 104 HG11 VAL 15 HG11 VAL 15 -3.817 -6.139 3.182 105 HG12 VAL 15 HG12 VAL 15 -4.014 -4.407 3.454 106 HG13 VAL 15 HG13 VAL 15 -4.341 -5.091 1.863 107 HG21 VAL 15 HG21 VAL 15 -7.511 -6.767 2.799 108 HG22 VAL 15 HG22 VAL 15 -5.933 -7.552 2.709 109 HG23 VAL 15 HG23 VAL 15 -6.420 -6.404 1.462 110 H CYS 16 H CYS 16 -4.062 -5.764 6.521 111 HA CYS 16 HA CYS 16 -4.597 -3.054 7.502 112 HB2 CYS 16 HB2 CYS 16 -2.761 -5.182 8.632 113 HB3 CYS 16 HB3 CYS 16 -3.180 -3.658 9.407 114 HG CYS 16 HG CYS 16 -5.618 -5.905 8.624 115 H ILE 17 H ILE 17 -3.001 -1.452 7.671 116 HA ILE 17 HA ILE 17 -0.733 -1.680 5.830 117 HB ILE 17 HB ILE 17 -1.617 0.708 7.480 118 HG12 ILE 17 HG12 ILE 17 -2.152 0.092 4.556 119 HG13 ILE 17 HG13 ILE 17 -3.343 -0.012 5.848 120 HG21 ILE 17 HG21 ILE 17 0.747 0.767 6.798 121 HG22 ILE 17 HG22 ILE 17 -0.198 2.016 5.990 122 HG23 ILE 17 HG23 ILE 17 0.264 0.556 5.115 123 HD11 ILE 17 HD11 ILE 17 -1.936 2.495 4.952 124 HD12 ILE 17 HD12 ILE 17 -3.143 2.385 6.233 125 HD13 ILE 17 HD13 ILE 17 -3.593 2.032 4.566 126 H GLU 18 H GLU 18 1.084 -2.589 6.654 127 HA GLU 18 HA GLU 18 1.541 -2.684 9.489 128 HB2 GLU 18 HB2 GLU 18 2.129 -4.592 8.071 129 HB3 GLU 18 HB3 GLU 18 3.302 -3.607 7.207 130 HG2 GLU 18 HG2 GLU 18 4.591 -3.328 9.268 131 HG3 GLU 18 HG3 GLU 18 3.419 -4.318 10.134 132 H GLU 19 H GLU 19 3.733 -1.525 6.876 133 HA GLU 19 HA GLU 19 4.419 0.821 8.430 134 HB2 GLU 19 HB2 GLU 19 5.746 -1.069 9.439 135 HB3 GLU 19 HB3 GLU 19 6.579 -1.233 7.899 136 HG2 GLU 19 HG2 GLU 19 7.474 1.018 8.119 137 HG3 GLU 19 HG3 GLU 19 6.575 1.248 9.619 138 H ILE 20 H ILE 20 5.655 2.361 7.292 139 HA ILE 20 HA ILE 20 5.766 1.926 4.373 140 HB ILE 20 HB ILE 20 5.592 4.543 5.891 141 HG12 ILE 20 HG12 ILE 20 3.460 3.100 4.276 142 HG13 ILE 20 HG13 ILE 20 3.506 3.208 6.033 143 HG21 ILE 20 HG21 ILE 20 6.782 4.763 3.765 144 HG22 ILE 20 HG22 ILE 20 5.213 5.565 3.693 145 HG23 ILE 20 HG23 ILE 20 5.435 3.996 2.920 146 HD11 ILE 20 HD11 ILE 20 3.264 5.643 5.875 147 HD12 ILE 20 HD12 ILE 20 1.922 4.785 5.117 148 HD13 ILE 20 HD13 ILE 20 3.184 5.507 4.117 149 H ASP 21 H ASP 21 7.681 2.223 3.289 150 HA ASP 21 HA ASP 21 10.112 2.298 4.762 151 HB2 ASP 21 HB2 ASP 21 10.089 1.034 2.751 152 HB3 ASP 21 HB3 ASP 21 9.486 2.395 1.814 153 H VAL 22 H VAL 22 11.742 3.843 4.788 154 HA VAL 22 HA VAL 22 10.801 6.617 4.475 155 HB VAL 22 HB VAL 22 11.493 5.904 6.748 156 HG11 VAL 22 HG11 VAL 22 14.240 5.584 5.536 157 HG12 VAL 22 HG12 VAL 22 13.212 4.285 6.140 158 HG13 VAL 22 HG13 VAL 22 13.851 5.494 7.254 159 HG21 VAL 22 HG21 VAL 22 13.300 7.999 5.527 160 HG22 VAL 22 HG22 VAL 22 12.942 7.818 7.244 161 HG23 VAL 22 HG23 VAL 22 11.660 8.263 6.118 162 H ASP 23 H ASP 23 12.993 4.347 3.139 163 HA ASP 23 HA ASP 23 15.004 6.184 2.245 164 HB2 ASP 23 HB2 ASP 23 15.234 3.651 2.633 165 HB3 ASP 23 HB3 ASP 23 14.443 3.453 1.073 166 H GLY 24 H GLY 24 11.971 5.011 1.006 167 HA2 GLY 24 HA2 GLY 24 10.657 6.314 -0.489 168 HA3 GLY 24 HA3 GLY 24 12.128 6.995 -1.160 169 H LYS 25 H LYS 25 11.298 3.576 -0.646 170 HA LYS 25 HA LYS 25 11.454 3.196 -3.575 171 HB2 LYS 25 HB2 LYS 25 12.658 1.473 -1.404 172 HB3 LYS 25 HB3 LYS 25 12.551 0.989 -3.094 173 HG2 LYS 25 HG2 LYS 25 13.970 2.835 -3.756 174 HG3 LYS 25 HG3 LYS 25 14.005 3.437 -2.096 175 HD2 LYS 25 HD2 LYS 25 15.148 1.396 -1.369 176 HD3 LYS 25 HD3 LYS 25 15.088 0.769 -3.020 177 HE2 LYS 25 HE2 LYS 25 16.525 2.531 -3.803 178 HE3 LYS 25 HE3 LYS 25 16.470 3.335 -2.235 179 HZ1 LYS 25 HZ1 LYS 25 17.591 1.420 -1.270 180 HZ2 LYS 25 HZ2 LYS 25 18.515 2.111 -2.503 181 HZ3 LYS 25 HZ3 LYS 25 17.669 0.678 -2.786 182 H PHE 26 H PHE 26 9.950 2.005 -0.555 183 HA PHE 26 HA PHE 26 7.817 0.825 -2.127 184 HB2 PHE 26 HB2 PHE 26 8.113 -1.457 -1.204 185 HB3 PHE 26 HB3 PHE 26 9.440 -0.959 -2.246 186 HD1 PHE 26 HD1 PHE 26 11.651 -0.502 -1.319 187 HD2 PHE 26 HD2 PHE 26 8.449 -1.801 1.171 188 HE1 PHE 26 HE1 PHE 26 13.260 -1.044 0.460 189 HE2 PHE 26 HE2 PHE 26 10.053 -2.343 2.956 190 HZ PHE 26 HZ PHE 26 12.463 -1.967 2.601 191 H ILE 27 H ILE 27 6.182 -0.336 -0.773 192 HA ILE 27 HA ILE 27 6.093 0.469 2.070 193 HB ILE 27 HB ILE 27 3.714 0.612 0.183 194 HG12 ILE 27 HG12 ILE 27 5.244 2.886 1.490 195 HG13 ILE 27 HG13 ILE 27 5.335 2.449 -0.214 196 HG21 ILE 27 HG21 ILE 27 3.961 1.378 3.097 197 HG22 ILE 27 HG22 ILE 27 3.098 -0.020 2.457 198 HG23 ILE 27 HG23 ILE 27 2.529 1.608 2.090 199 HD11 ILE 27 HD11 ILE 27 3.894 4.366 0.127 200 HD12 ILE 27 HD12 ILE 27 2.883 3.434 1.230 201 HD13 ILE 27 HD13 ILE 27 2.968 2.992 -0.476 202 H ARG 28 H ARG 28 5.065 -1.137 3.435 203 HA ARG 28 HA ARG 28 4.419 -3.648 2.003 204 HB2 ARG 28 HB2 ARG 28 6.643 -3.651 3.181 205 HB3 ARG 28 HB3 ARG 28 5.772 -3.514 4.703 206 HG2 ARG 28 HG2 ARG 28 4.707 -5.640 4.363 207 HG3 ARG 28 HG3 ARG 28 5.361 -5.756 2.728 208 HD2 ARG 28 HD2 ARG 28 6.660 -7.165 4.181 209 HD3 ARG 28 HD3 ARG 28 7.651 -5.789 3.703 210 HE ARG 28 HE ARG 28 6.273 -5.455 6.216 211 HH11 ARG 28 HH11 ARG 28 9.143 -6.597 4.682 212 HH12 ARG 28 HH12 ARG 28 10.082 -6.483 6.130 213 HH21 ARG 28 HH21 ARG 28 7.473 -5.310 8.043 214 HH22 ARG 28 HH22 ARG 28 9.154 -5.732 8.016 215 H LEU 29 H LEU 29 2.363 -4.147 2.193 216 HA LEU 29 HA LEU 29 0.904 -3.534 4.686 217 HB2 LEU 29 HB2 LEU 29 -0.136 -4.229 1.927 218 HB3 LEU 29 HB3 LEU 29 -1.148 -3.969 3.334 219 HG LEU 29 HG LEU 29 -0.232 -1.608 3.435 220 HD11 LEU 29 HD11 LEU 29 1.785 -1.920 2.104 221 HD12 LEU 29 HD12 LEU 29 0.751 -0.685 1.388 222 HD13 LEU 29 HD13 LEU 29 0.810 -2.303 0.685 223 HD21 LEU 29 HD21 LEU 29 -2.448 -2.075 2.565 224 HD22 LEU 29 HD22 LEU 29 -1.776 -2.434 0.974 225 HD23 LEU 29 HD23 LEU 29 -1.684 -0.795 1.624 226 H LYS 30 H LYS 30 -0.877 -5.252 5.185 227 HA LYS 30 HA LYS 30 0.022 -7.984 4.603 228 HB2 LYS 30 HB2 LYS 30 1.227 -7.361 6.639 229 HB3 LYS 30 HB3 LYS 30 -0.282 -6.899 7.416 230 HG2 LYS 30 HG2 LYS 30 -1.056 -9.238 7.273 231 HG3 LYS 30 HG3 LYS 30 0.483 -9.686 6.534 232 HD2 LYS 30 HD2 LYS 30 0.115 -8.522 9.303 233 HD3 LYS 30 HD3 LYS 30 0.446 -10.214 8.929 234 HE2 LYS 30 HE2 LYS 30 2.591 -9.537 7.899 235 HE3 LYS 30 HE3 LYS 30 2.258 -7.866 8.348 236 HZ1 LYS 30 HZ1 LYS 30 2.236 -8.562 10.677 237 HZ2 LYS 30 HZ2 LYS 30 3.722 -8.887 9.938 238 HZ3 LYS 30 HZ3 LYS 30 2.627 -10.142 10.216 239 H ASN 31 H ASN 31 -1.673 -9.279 4.178 240 HA ASN 31 HA ASN 31 -4.372 -8.450 4.942 241 HB2 ASN 31 HB2 ASN 31 -4.060 -9.231 2.651 242 HB3 ASN 31 HB3 ASN 31 -3.400 -10.758 3.233 243 HD21 ASN 31 HD21 ASN 31 -4.966 -11.996 2.235 244 HD22 ASN 31 HD22 ASN 31 -6.602 -12.038 2.792 245 H THR 32 H THR 32 -5.563 -9.386 6.542 246 HA THR 32 HA THR 32 -4.333 -11.665 7.985 247 HB THR 32 HB THR 32 -5.338 -10.790 10.053 248 HG1 THR 32 HG1 THR 32 -7.019 -9.534 9.630 249 HG21 THR 32 HG21 THR 32 -3.658 -8.748 8.582 250 HG22 THR 32 HG22 THR 32 -3.057 -10.110 9.530 251 HG23 THR 32 HG23 THR 32 -3.915 -8.792 10.326 252 H SER 33 H SER 33 -6.676 -11.291 5.884 253 HA SER 33 HA SER 33 -9.022 -12.176 7.271 254 HB2 SER 33 HB2 SER 33 -9.998 -12.464 5.032 255 HB3 SER 33 HB3 SER 33 -9.173 -10.910 5.164 256 HG SER 33 HG SER 33 -8.795 -12.687 3.321 257 H GLU 34 H GLU 34 -10.114 -14.210 7.031 258 HA GLU 34 HA GLU 34 -8.480 -16.507 7.329 259 HB2 GLU 34 HB2 GLU 34 -11.444 -16.362 6.728 260 HB3 GLU 34 HB3 GLU 34 -10.587 -17.776 7.323 261 HG2 GLU 34 HG2 GLU 34 -10.015 -16.501 9.377 262 HG3 GLU 34 HG3 GLU 34 -11.021 -15.178 8.785 263 H GLN 35 H GLN 35 -9.964 -15.071 4.544 264 HA GLN 35 HA GLN 35 -9.127 -17.346 2.859 265 HB2 GLN 35 HB2 GLN 35 -11.594 -17.231 3.127 266 HB3 GLN 35 HB3 GLN 35 -11.575 -15.595 2.490 267 HG2 GLN 35 HG2 GLN 35 -10.801 -16.405 0.340 268 HG3 GLN 35 HG3 GLN 35 -10.703 -18.049 0.972 269 HE21 GLN 35 HE21 GLN 35 -12.165 -18.812 -0.566 270 HE22 GLN 35 HE22 GLN 35 -13.853 -18.462 -0.483 271 H ASP 36 H ASP 36 -8.061 -16.835 0.965 272 HA ASP 36 HA ASP 36 -6.539 -14.515 0.872 273 HB2 ASP 36 HB2 ASP 36 -7.248 -16.204 -1.536 274 HB3 ASP 36 HB3 ASP 36 -5.792 -15.242 -1.294 275 H GLN 37 H GLN 37 -6.873 -12.477 0.175 276 HA GLN 37 HA GLN 37 -9.529 -11.802 -0.844 277 HB2 GLN 37 HB2 GLN 37 -7.275 -10.046 0.150 278 HB3 GLN 37 HB3 GLN 37 -8.860 -9.463 -0.334 279 HG2 GLN 37 HG2 GLN 37 -8.348 -11.381 1.934 280 HG3 GLN 37 HG3 GLN 37 -8.580 -9.644 2.113 281 HE21 GLN 37 HE21 GLN 37 -10.649 -8.781 1.772 282 HE22 GLN 37 HE22 GLN 37 -12.062 -9.767 1.788 283 HA PRO 38 HA PRO 38 -7.914 -11.367 -5.067 284 HB2 PRO 38 HB2 PRO 38 -10.524 -9.964 -5.399 285 HB3 PRO 38 HB3 PRO 38 -9.824 -11.279 -6.351 286 HG2 PRO 38 HG2 PRO 38 -11.825 -11.751 -4.650 287 HG3 PRO 38 HG3 PRO 38 -10.493 -12.911 -4.830 288 HD2 PRO 38 HD2 PRO 38 -10.983 -10.908 -2.649 289 HD3 PRO 38 HD3 PRO 38 -10.386 -12.577 -2.533 290 H MET 39 H MET 39 -6.333 -9.838 -5.130 291 HA MET 39 HA MET 39 -6.737 -7.171 -4.108 292 HB2 MET 39 HB2 MET 39 -4.606 -8.443 -3.853 293 HB3 MET 39 HB3 MET 39 -4.360 -8.327 -5.586 294 HG2 MET 39 HG2 MET 39 -3.023 -6.639 -4.794 295 HG3 MET 39 HG3 MET 39 -4.501 -5.764 -5.181 296 HE1 MET 39 HE1 MET 39 -5.983 -4.904 -1.699 297 HE2 MET 39 HE2 MET 39 -6.493 -6.200 -2.781 298 HE3 MET 39 HE3 MET 39 -6.053 -4.624 -3.439 299 H GLY 40 H GLY 40 -8.265 -6.162 -5.444 300 HA2 GLY 40 HA2 GLY 40 -7.236 -5.119 -7.949 301 HA3 GLY 40 HA3 GLY 40 -8.604 -6.205 -8.135 302 H GLY 41 H GLY 41 -10.308 -5.514 -6.138 303 HA2 GLY 41 HA2 GLY 41 -11.326 -2.990 -7.094 304 HA3 GLY 41 HA3 GLY 41 -12.091 -4.042 -5.915 305 H TRP 42 H TRP 42 -8.994 -2.276 -5.979 306 HA TRP 42 HA TRP 42 -9.781 -0.730 -3.607 307 HB2 TRP 42 HB2 TRP 42 -7.289 -2.445 -3.830 308 HB3 TRP 42 HB3 TRP 42 -7.480 -1.180 -2.628 309 HD1 TRP 42 HD1 TRP 42 -9.375 -4.431 -3.648 310 HE1 TRP 42 HE1 TRP 42 -10.166 -5.570 -1.483 311 HE3 TRP 42 HE3 TRP 42 -7.735 -0.973 -0.262 312 HZ2 TRP 42 HZ2 TRP 42 -10.100 -5.075 1.287 313 HZ3 TRP 42 HZ3 TRP 42 -8.132 -1.385 2.132 314 HH2 TRP 42 HH2 TRP 42 -9.291 -3.397 2.888 315 H GLU 43 H GLU 43 -8.956 1.364 -3.635 316 HA GLU 43 HA GLU 43 -6.697 1.892 -5.462 317 HB2 GLU 43 HB2 GLU 43 -8.711 2.940 -6.380 318 HB3 GLU 43 HB3 GLU 43 -8.990 3.779 -4.859 319 HG2 GLU 43 HG2 GLU 43 -7.037 5.121 -5.143 320 HG3 GLU 43 HG3 GLU 43 -6.495 4.148 -6.507 321 H MET 44 H MET 44 -4.956 2.718 -4.568 322 HA MET 44 HA MET 44 -5.031 3.498 -1.739 323 HB2 MET 44 HB2 MET 44 -3.595 1.623 -2.233 324 HB3 MET 44 HB3 MET 44 -2.813 2.503 -3.536 325 HG2 MET 44 HG2 MET 44 -1.761 3.995 -1.967 326 HG3 MET 44 HG3 MET 44 -2.645 3.264 -0.627 327 HE1 MET 44 HE1 MET 44 -1.349 1.053 -3.558 328 HE2 MET 44 HE2 MET 44 0.335 0.777 -3.116 329 HE3 MET 44 HE3 MET 44 -0.196 2.386 -3.602 330 H ILE 45 H ILE 45 -5.008 5.614 -1.327 331 HA ILE 45 HA ILE 45 -3.793 7.499 -3.245 332 HB ILE 45 HB ILE 45 -5.548 8.141 -0.856 333 HG12 ILE 45 HG12 ILE 45 -6.351 7.852 -3.769 334 HG13 ILE 45 HG13 ILE 45 -6.740 6.706 -2.490 335 HG21 ILE 45 HG21 ILE 45 -5.877 10.301 -1.955 336 HG22 ILE 45 HG22 ILE 45 -4.813 9.807 -3.272 337 HG23 ILE 45 HG23 ILE 45 -4.166 10.010 -1.644 338 HD11 ILE 45 HD11 ILE 45 -8.070 8.408 -1.362 339 HD12 ILE 45 HD12 ILE 45 -8.631 8.130 -3.012 340 HD13 ILE 45 HD13 ILE 45 -7.674 9.562 -2.635 341 H ARG 46 H ARG 46 -2.514 9.352 -2.293 342 HA ARG 46 HA ARG 46 -1.336 8.970 0.323 343 HB2 ARG 46 HB2 ARG 46 -0.159 7.315 -1.106 344 HB3 ARG 46 HB3 ARG 46 0.369 8.622 -2.153 345 HG2 ARG 46 HG2 ARG 46 1.794 9.509 -0.473 346 HG3 ARG 46 HG3 ARG 46 1.089 8.466 0.768 347 HD2 ARG 46 HD2 ARG 46 1.980 6.494 -0.333 348 HD3 ARG 46 HD3 ARG 46 2.591 7.476 -1.660 349 HE ARG 46 HE ARG 46 4.309 8.249 -0.282 350 HH11 ARG 46 HH11 ARG 46 2.211 6.118 1.420 351 HH12 ARG 46 HH12 ARG 46 3.378 5.762 2.641 352 HH21 ARG 46 HH21 ARG 46 5.808 7.782 1.280 353 HH22 ARG 46 HH22 ARG 46 5.401 6.707 2.565 354 H LYS 47 H LYS 47 -0.478 10.861 1.129 355 HA LYS 47 HA LYS 47 -0.293 13.162 -0.727 356 HB2 LYS 47 HB2 LYS 47 -1.449 13.095 2.061 357 HB3 LYS 47 HB3 LYS 47 -1.046 14.584 1.220 358 HG2 LYS 47 HG2 LYS 47 -2.641 13.899 -0.582 359 HG3 LYS 47 HG3 LYS 47 -3.135 12.556 0.455 360 HD2 LYS 47 HD2 LYS 47 -3.816 14.118 2.196 361 HD3 LYS 47 HD3 LYS 47 -3.246 15.479 1.231 362 HE2 LYS 47 HE2 LYS 47 -4.903 14.856 -0.516 363 HE3 LYS 47 HE3 LYS 47 -5.526 13.617 0.571 364 HZ1 LYS 47 HZ1 LYS 47 -6.069 15.351 2.171 365 HZ2 LYS 47 HZ2 LYS 47 -6.837 15.638 0.689 366 HZ3 LYS 47 HZ3 LYS 47 -5.472 16.534 1.124 367 H ILE 48 H ILE 48 1.301 14.654 -0.411 368 HA ILE 48 HA ILE 48 2.965 14.500 2.000 369 HB ILE 48 HB ILE 48 4.290 13.264 0.432 370 HG12 ILE 48 HG12 ILE 48 5.311 16.113 0.638 371 HG13 ILE 48 HG13 ILE 48 5.533 14.839 1.831 372 HG21 ILE 48 HG21 ILE 48 3.927 15.548 -1.513 373 HG22 ILE 48 HG22 ILE 48 3.209 13.943 -1.644 374 HG23 ILE 48 HG23 ILE 48 4.957 14.137 -1.764 375 HD11 ILE 48 HD11 ILE 48 6.876 13.578 0.210 376 HD12 ILE 48 HD12 ILE 48 7.554 15.170 0.550 377 HD13 ILE 48 HD13 ILE 48 6.680 14.888 -0.954 378 H GLY 49 H GLY 49 2.681 16.440 2.930 379 HA2 GLY 49 HA2 GLY 49 2.668 18.730 3.207 380 HA3 GLY 49 HA3 GLY 49 3.315 18.884 1.582 381 H ASP 50 H ASP 50 1.766 18.706 -0.208 382 HA ASP 50 HA ASP 50 -1.017 19.326 0.504 383 HB2 ASP 50 HB2 ASP 50 -1.054 21.160 -1.174 384 HB3 ASP 50 HB3 ASP 50 0.030 21.488 0.172 385 H THR 51 H THR 51 1.251 18.502 -2.098 386 HA THR 51 HA THR 51 -0.712 17.801 -4.014 387 HB THR 51 HB THR 51 1.558 18.383 -4.686 388 HG1 THR 51 HG1 THR 51 1.714 16.869 -6.281 389 HG21 THR 51 HG21 THR 51 3.421 16.810 -4.375 390 HG22 THR 51 HG22 THR 51 2.383 15.782 -3.387 391 HG23 THR 51 HG23 THR 51 2.808 17.400 -2.829 392 H SER 52 H SER 52 -1.693 15.905 -4.521 393 HA SER 52 HA SER 52 -1.123 13.557 -2.812 394 HB2 SER 52 HB2 SER 52 -3.511 12.951 -3.052 395 HB3 SER 52 HB3 SER 52 -3.306 14.523 -2.282 396 HG SER 52 HG SER 52 -3.970 14.042 -5.010 397 H VAL 53 H VAL 53 -1.335 11.489 -3.718 398 HA VAL 53 HA VAL 53 -1.678 11.236 -6.623 399 HB VAL 53 HB VAL 53 0.746 11.401 -6.281 400 HG11 VAL 53 HG11 VAL 53 0.886 10.690 -3.957 401 HG12 VAL 53 HG12 VAL 53 1.968 9.720 -4.955 402 HG13 VAL 53 HG13 VAL 53 0.432 9.046 -4.409 403 HG21 VAL 53 HG21 VAL 53 -0.073 9.914 -8.045 404 HG22 VAL 53 HG22 VAL 53 -0.103 8.567 -6.906 405 HG23 VAL 53 HG23 VAL 53 1.433 9.310 -7.355 406 H SER 54 H SER 54 -2.346 9.073 -7.283 407 HA SER 54 HA SER 54 -3.060 7.249 -5.079 408 HB2 SER 54 HB2 SER 54 -5.299 6.895 -5.969 409 HB3 SER 54 HB3 SER 54 -5.062 8.611 -5.646 410 HG SER 54 HG SER 54 -6.013 7.825 -7.780 411 H TYR 55 H TYR 55 -3.740 5.080 -5.855 412 HA TYR 55 HA TYR 55 -2.908 4.247 -8.502 413 HB2 TYR 55 HB2 TYR 55 -0.759 4.277 -7.358 414 HB3 TYR 55 HB3 TYR 55 -1.417 3.339 -6.023 415 HD1 TYR 55 HD1 TYR 55 -0.631 3.174 -9.660 416 HD2 TYR 55 HD2 TYR 55 -1.342 0.980 -6.077 417 HE1 TYR 55 HE1 TYR 55 0.077 1.111 -10.789 418 HE2 TYR 55 HE2 TYR 55 -0.638 -1.091 -7.200 419 HH TYR 55 HH TYR 55 1.004 -1.111 -10.135 420 H LYS 56 H LYS 56 -4.596 2.982 -9.067 421 HA LYS 56 HA LYS 56 -6.006 1.394 -7.091 422 HB2 LYS 56 HB2 LYS 56 -7.144 2.566 -9.032 423 HB3 LYS 56 HB3 LYS 56 -6.417 1.363 -10.089 424 HG2 LYS 56 HG2 LYS 56 -7.567 -0.403 -8.710 425 HG3 LYS 56 HG3 LYS 56 -8.427 0.901 -7.893 426 HD2 LYS 56 HD2 LYS 56 -9.879 0.126 -9.599 427 HD3 LYS 56 HD3 LYS 56 -9.216 1.655 -10.179 428 HE2 LYS 56 HE2 LYS 56 -9.209 0.047 -11.978 429 HE3 LYS 56 HE3 LYS 56 -7.546 0.386 -11.498 430 HZ1 LYS 56 HZ1 LYS 56 -7.538 -1.668 -10.216 431 HZ2 LYS 56 HZ2 LYS 56 -7.914 -1.980 -11.836 432 HZ3 LYS 56 HZ3 LYS 56 -9.138 -1.982 -10.671 433 H TYR 57 H TYR 57 -5.792 -0.748 -6.731 434 HA TYR 57 HA TYR 57 -3.544 -2.164 -7.759 435 HB2 TYR 57 HB2 TYR 57 -5.925 -3.184 -6.181 436 HB3 TYR 57 HB3 TYR 57 -4.427 -4.069 -6.445 437 HD1 TYR 57 HD1 TYR 57 -5.797 -0.974 -4.887 438 HD2 TYR 57 HD2 TYR 57 -2.608 -3.788 -4.957 439 HE1 TYR 57 HE1 TYR 57 -4.863 0.045 -2.858 440 HE2 TYR 57 HE2 TYR 57 -1.665 -2.775 -2.925 441 HH TYR 57 HH TYR 57 -1.750 -0.567 -1.747 442 H THR 58 H THR 58 -3.628 -4.247 -8.919 443 HA THR 58 HA THR 58 -5.905 -4.385 -10.805 444 HB THR 58 HB THR 58 -3.949 -3.561 -11.989 445 HG1 THR 58 HG1 THR 58 -4.856 -4.745 -13.485 446 HG21 THR 58 HG21 THR 58 -2.572 -6.105 -11.105 447 HG22 THR 58 HG22 THR 58 -2.173 -4.472 -10.568 448 HG23 THR 58 HG23 THR 58 -1.928 -4.932 -12.253 449 H SER 59 H SER 59 -6.906 -6.300 -11.037 450 HA SER 59 HA SER 59 -6.252 -8.376 -9.156 451 HB2 SER 59 HB2 SER 59 -8.595 -7.771 -9.569 452 HB3 SER 59 HB3 SER 59 -8.444 -8.285 -11.248 453 HG SER 59 HG SER 59 -9.359 -9.816 -9.590 454 H ARG 60 H ARG 60 -4.199 -9.077 -9.980 455 HA ARG 60 HA ARG 60 -4.514 -11.045 -12.171 456 HB2 ARG 60 HB2 ARG 60 -2.098 -10.890 -12.560 457 HB3 ARG 60 HB3 ARG 60 -2.865 -9.320 -12.745 458 HG2 ARG 60 HG2 ARG 60 -1.927 -8.486 -10.789 459 HG3 ARG 60 HG3 ARG 60 -1.615 -10.095 -10.136 460 HD2 ARG 60 HD2 ARG 60 0.460 -9.064 -10.816 461 HD3 ARG 60 HD3 ARG 60 0.109 -10.445 -11.854 462 HE ARG 60 HE ARG 60 -0.809 -7.961 -12.957 463 HH11 ARG 60 HH11 ARG 60 1.923 -10.042 -12.610 464 HH12 ARG 60 HH12 ARG 60 2.747 -9.368 -13.970 465 HH21 ARG 60 HH21 ARG 60 0.258 -7.106 -14.702 466 HH22 ARG 60 HH22 ARG 60 1.811 -7.724 -15.154 467 H TYR 61 H TYR 61 -4.603 -10.895 -8.972 468 HA TYR 61 HA TYR 61 -3.958 -13.615 -8.511 469 HB2 TYR 61 HB2 TYR 61 -2.014 -13.417 -7.099 470 HB3 TYR 61 HB3 TYR 61 -1.641 -12.605 -8.618 471 HD1 TYR 61 HD1 TYR 61 -2.147 -9.993 -8.625 472 HD2 TYR 61 HD2 TYR 61 -1.512 -12.311 -5.108 473 HE1 TYR 61 HE1 TYR 61 -1.555 -7.953 -7.390 474 HE2 TYR 61 HE2 TYR 61 -0.927 -10.272 -3.868 475 HH TYR 61 HH TYR 61 0.008 -7.952 -4.493 476 H VAL 62 H VAL 62 -4.006 -14.074 -6.059 477 HA VAL 62 HA VAL 62 -5.838 -12.197 -4.708 478 HB VAL 62 HB VAL 62 -6.535 -14.129 -3.296 479 HG11 VAL 62 HG11 VAL 62 -6.889 -14.543 -6.271 480 HG12 VAL 62 HG12 VAL 62 -7.859 -13.486 -5.246 481 HG13 VAL 62 HG13 VAL 62 -7.907 -15.232 -5.005 482 HG21 VAL 62 HG21 VAL 62 -4.904 -15.784 -5.238 483 HG22 VAL 62 HG22 VAL 62 -5.954 -16.407 -3.965 484 HG23 VAL 62 HG23 VAL 62 -4.502 -15.498 -3.544 485 H LEU 63 H LEU 63 -5.143 -11.200 -2.902 486 HA LEU 63 HA LEU 63 -2.476 -11.477 -1.977 487 HB2 LEU 63 HB2 LEU 63 -4.264 -9.494 -1.792 488 HB3 LEU 63 HB3 LEU 63 -4.558 -10.228 -0.228 489 HG LEU 63 HG LEU 63 -1.938 -9.088 -1.220 490 HD11 LEU 63 HD11 LEU 63 -3.585 -7.403 -0.580 491 HD12 LEU 63 HD12 LEU 63 -2.234 -7.448 0.551 492 HD13 LEU 63 HD13 LEU 63 -3.777 -8.179 0.993 493 HD21 LEU 63 HD21 LEU 63 -1.044 -9.567 1.003 494 HD22 LEU 63 HD22 LEU 63 -1.506 -11.049 0.167 495 HD23 LEU 63 HD23 LEU 63 -2.542 -10.392 1.435 496 H LYS 64 H LYS 64 -1.817 -13.286 -1.008 497 HA LYS 64 HA LYS 64 -3.419 -15.255 0.087 498 HB2 LYS 64 HB2 LYS 64 -0.500 -14.696 0.648 499 HB3 LYS 64 HB3 LYS 64 -1.329 -16.201 1.030 500 HG2 LYS 64 HG2 LYS 64 -1.762 -16.573 -1.351 501 HG3 LYS 64 HG3 LYS 64 -0.945 -15.058 -1.741 502 HD2 LYS 64 HD2 LYS 64 0.324 -17.463 -0.408 503 HD3 LYS 64 HD3 LYS 64 0.523 -16.999 -2.099 504 HE2 LYS 64 HE2 LYS 64 1.574 -14.902 -1.410 505 HE3 LYS 64 HE3 LYS 64 1.341 -15.327 0.286 506 HZ1 LYS 64 HZ1 LYS 64 3.589 -15.789 -0.422 507 HZ2 LYS 64 HZ2 LYS 64 3.033 -16.799 -1.661 508 HZ3 LYS 64 HZ3 LYS 64 2.797 -17.235 -0.043 509 H ALA 65 H ALA 65 -4.248 -15.719 2.025 510 HA ALA 65 HA ALA 65 -4.585 -13.863 4.070 511 HB1 ALA 65 HB1 ALA 65 -5.376 -15.772 5.421 512 HB2 ALA 65 HB2 ALA 65 -4.730 -16.879 4.208 513 HB3 ALA 65 HB3 ALA 65 -6.047 -15.781 3.789 514 H GLY 66 H GLY 66 -3.356 -13.205 5.755 515 HA2 GLY 66 HA2 GLY 66 -1.662 -13.116 7.309 516 HA3 GLY 66 HA3 GLY 66 -1.451 -14.844 7.090 517 H GLN 67 H GLN 67 -1.140 -12.467 4.501 518 HA GLN 67 HA GLN 67 1.778 -12.949 4.456 519 HB2 GLN 67 HB2 GLN 67 0.675 -14.312 2.742 520 HB3 GLN 67 HB3 GLN 67 -0.108 -12.883 2.088 521 HG2 GLN 67 HG2 GLN 67 1.637 -13.216 0.620 522 HG3 GLN 67 HG3 GLN 67 2.292 -12.006 1.715 523 HE21 GLN 67 HE21 GLN 67 2.825 -13.940 3.860 524 HE22 GLN 67 HE22 GLN 67 4.184 -14.857 3.332 525 H THR 68 H THR 68 3.090 -11.274 3.688 526 HA THR 68 HA THR 68 1.884 -8.600 3.710 527 HB THR 68 HB THR 68 4.212 -7.771 3.844 528 HG1 THR 68 HG1 THR 68 5.071 -9.744 2.734 529 HG21 THR 68 HG21 THR 68 3.008 -8.243 5.918 530 HG22 THR 68 HG22 THR 68 4.728 -8.595 6.093 531 HG23 THR 68 HG23 THR 68 3.576 -9.913 5.878 532 H VAL 69 H VAL 69 1.796 -7.298 1.960 533 HA VAL 69 HA VAL 69 3.087 -8.200 -0.543 534 HB VAL 69 HB VAL 69 0.648 -8.173 -0.729 535 HG11 VAL 69 HG11 VAL 69 0.816 -5.235 -0.047 536 HG12 VAL 69 HG12 VAL 69 0.139 -6.501 0.977 537 HG13 VAL 69 HG13 VAL 69 -0.637 -6.098 -0.555 538 HG21 VAL 69 HG21 VAL 69 0.430 -6.696 -2.702 539 HG22 VAL 69 HG22 VAL 69 1.920 -7.641 -2.733 540 HG23 VAL 69 HG23 VAL 69 1.966 -5.936 -2.283 541 H THR 70 H THR 70 4.484 -6.832 -1.590 542 HA THR 70 HA THR 70 5.085 -4.287 -0.224 543 HB THR 70 HB THR 70 6.866 -5.821 -2.134 544 HG1 THR 70 HG1 THR 70 6.953 -7.097 -0.423 545 HG21 THR 70 HG21 THR 70 7.441 -3.533 -0.238 546 HG22 THR 70 HG22 THR 70 7.412 -3.441 -2.000 547 HG23 THR 70 HG23 THR 70 8.649 -4.401 -1.186 548 H ILE 71 H ILE 71 4.370 -2.502 -1.171 549 HA ILE 71 HA ILE 71 3.866 -2.375 -4.033 550 HB ILE 71 HB ILE 71 3.512 -0.216 -1.935 551 HG12 ILE 71 HG12 ILE 71 2.083 -2.162 -1.455 552 HG13 ILE 71 HG13 ILE 71 1.116 -0.794 -1.995 553 HG21 ILE 71 HG21 ILE 71 3.718 0.682 -4.195 554 HG22 ILE 71 HG22 ILE 71 2.066 0.863 -3.606 555 HG23 ILE 71 HG23 ILE 71 2.455 -0.412 -4.762 556 HD11 ILE 71 HD11 ILE 71 0.940 -1.794 -4.213 557 HD12 ILE 71 HD12 ILE 71 0.331 -2.875 -2.960 558 HD13 ILE 71 HD13 ILE 71 1.918 -3.161 -3.677 559 H TRP 72 H TRP 72 5.738 -2.204 -5.179 560 HA TRP 72 HA TRP 72 7.939 -0.533 -4.290 561 HB2 TRP 72 HB2 TRP 72 7.545 -2.162 -6.814 562 HB3 TRP 72 HB3 TRP 72 9.020 -1.293 -6.412 563 HD1 TRP 72 HD1 TRP 72 7.012 -4.404 -5.412 564 HE1 TRP 72 HE1 TRP 72 8.545 -5.953 -4.040 565 HE3 TRP 72 HE3 TRP 72 11.041 -1.293 -4.871 566 HZ2 TRP 72 HZ2 TRP 72 11.111 -5.864 -2.877 567 HZ3 TRP 72 HZ3 TRP 72 12.995 -2.105 -3.609 568 HH2 TRP 72 HH2 TRP 72 13.025 -4.344 -2.633 569 H ALA 73 H ALA 73 8.216 1.567 -4.835 570 HA ALA 73 HA ALA 73 6.359 2.934 -6.527 571 HB1 ALA 73 HB1 ALA 73 7.370 4.012 -4.581 572 HB2 ALA 73 HB2 ALA 73 7.694 4.924 -6.056 573 HB3 ALA 73 HB3 ALA 73 8.957 3.917 -5.345 574 H ALA 74 H ALA 74 7.522 4.661 -8.120 575 HA ALA 74 HA ALA 74 8.313 3.286 -10.417 576 HB1 ALA 74 HB1 ALA 74 8.864 6.185 -9.773 577 HB2 ALA 74 HB2 ALA 74 7.342 5.555 -10.404 578 HB3 ALA 74 HB3 ALA 74 8.809 5.455 -11.378 579 H ASN 75 H ASN 75 10.193 4.145 -7.690 580 HA ASN 75 HA ASN 75 12.748 3.931 -9.104 581 HB2 ASN 75 HB2 ASN 75 12.215 4.326 -6.145 582 HB3 ASN 75 HB3 ASN 75 13.760 4.520 -6.967 583 HD21 ASN 75 HD21 ASN 75 12.266 6.424 -5.380 584 HD22 ASN 75 HD22 ASN 75 12.002 7.789 -6.407 585 H ALA 76 H ALA 76 10.751 1.668 -8.644 586 HA ALA 76 HA ALA 76 11.379 -0.148 -6.718 587 HB1 ALA 76 HB1 ALA 76 9.539 -0.400 -8.311 588 HB2 ALA 76 HB2 ALA 76 10.501 -1.874 -8.195 589 HB3 ALA 76 HB3 ALA 76 10.694 -0.802 -9.582 590 H GLY 77 H GLY 77 12.846 -0.288 -10.005 591 HA2 GLY 77 HA2 GLY 77 14.870 -1.167 -10.702 592 HA3 GLY 77 HA3 GLY 77 15.403 -1.120 -9.027 593 H VAL 78 H VAL 78 12.498 -2.827 -9.752 594 HA VAL 78 HA VAL 78 13.896 -5.428 -9.632 595 HB VAL 78 HB VAL 78 12.112 -6.325 -8.229 596 HG11 VAL 78 HG11 VAL 78 12.606 -5.129 -6.142 597 HG12 VAL 78 HG12 VAL 78 13.290 -3.794 -7.070 598 HG13 VAL 78 HG13 VAL 78 14.061 -5.380 -7.108 599 HG21 VAL 78 HG21 VAL 78 10.263 -4.921 -8.999 600 HG22 VAL 78 HG22 VAL 78 10.982 -3.520 -8.203 601 HG23 VAL 78 HG23 VAL 78 10.397 -4.877 -7.241 602 H THR 79 H THR 79 11.909 -7.187 -10.015 603 HA THR 79 HA THR 79 11.194 -6.992 -12.728 604 HB THR 79 HB THR 79 9.622 -8.896 -12.264 605 HG1 THR 79 HG1 THR 79 8.963 -9.075 -10.261 606 HG21 THR 79 HG21 THR 79 11.952 -9.349 -12.826 607 HG22 THR 79 HG22 THR 79 11.381 -10.507 -11.624 608 HG23 THR 79 HG23 THR 79 12.416 -9.167 -11.134 609 H ALA 80 H ALA 80 9.612 -5.915 -13.740 610 HA ALA 80 HA ALA 80 7.818 -4.251 -12.216 611 HB1 ALA 80 HB1 ALA 80 7.199 -3.294 -14.354 612 HB2 ALA 80 HB2 ALA 80 8.011 -4.611 -15.206 613 HB3 ALA 80 HB3 ALA 80 8.953 -3.462 -14.259 614 H SER 81 H SER 81 7.523 -7.388 -12.691 615 HA SER 81 HA SER 81 4.601 -7.270 -13.021 616 HB2 SER 81 HB2 SER 81 5.505 -8.052 -15.152 617 HB3 SER 81 HB3 SER 81 6.429 -9.307 -14.329 618 HG SER 81 HG SER 81 4.702 -10.506 -14.257 619 HA PRO 82 HA PRO 82 4.698 -9.767 -9.170 620 HB2 PRO 82 HB2 PRO 82 1.827 -9.912 -9.965 621 HB3 PRO 82 HB3 PRO 82 2.537 -9.486 -8.405 622 HG2 PRO 82 HG2 PRO 82 1.462 -7.626 -10.016 623 HG3 PRO 82 HG3 PRO 82 2.877 -7.284 -9.010 624 HD2 PRO 82 HD2 PRO 82 2.708 -7.748 -11.941 625 HD3 PRO 82 HD3 PRO 82 3.811 -6.707 -11.020 626 HA PRO 83 HA PRO 83 4.213 -13.450 -8.283 627 HB2 PRO 83 HB2 PRO 83 6.761 -11.908 -8.649 628 HB3 PRO 83 HB3 PRO 83 6.496 -13.430 -7.783 629 HG2 PRO 83 HG2 PRO 83 7.195 -13.231 -10.482 630 HG3 PRO 83 HG3 PRO 83 6.471 -14.656 -9.717 631 HD2 PRO 83 HD2 PRO 83 5.285 -13.105 -11.747 632 HD3 PRO 83 HD3 PRO 83 4.430 -14.254 -10.693 633 H THR 84 H THR 84 2.631 -12.449 -7.188 634 HA THR 84 HA THR 84 1.797 -11.542 -5.333 635 HB THR 84 HB THR 84 3.485 -12.915 -4.307 636 HG1 THR 84 HG1 THR 84 3.632 -10.619 -2.715 637 HG21 THR 84 HG21 THR 84 5.523 -11.948 -5.254 638 HG22 THR 84 HG22 THR 84 5.608 -11.992 -3.492 639 HG23 THR 84 HG23 THR 84 5.270 -10.473 -4.322 640 H ASP 85 H ASP 85 4.782 -9.521 -5.646 641 HA ASP 85 HA ASP 85 3.572 -7.429 -4.140 642 HB2 ASP 85 HB2 ASP 85 6.052 -7.368 -5.877 643 HB3 ASP 85 HB3 ASP 85 5.609 -6.157 -4.674 644 H LEU 86 H LEU 86 3.891 -5.042 -5.217 645 HA LEU 86 HA LEU 86 2.845 -4.990 -7.945 646 HB2 LEU 86 HB2 LEU 86 1.325 -4.020 -5.546 647 HB3 LEU 86 HB3 LEU 86 1.103 -3.236 -7.099 648 HG LEU 86 HG LEU 86 0.621 -6.179 -6.568 649 HD11 LEU 86 HD11 LEU 86 -1.355 -3.919 -6.896 650 HD12 LEU 86 HD12 LEU 86 -1.004 -4.785 -5.399 651 HD13 LEU 86 HD13 LEU 86 -1.753 -5.633 -6.751 652 HD21 LEU 86 HD21 LEU 86 1.272 -5.709 -8.879 653 HD22 LEU 86 HD22 LEU 86 0.014 -4.478 -8.993 654 HD23 LEU 86 HD23 LEU 86 -0.425 -6.174 -8.780 655 H ILE 87 H ILE 87 3.258 -3.082 -9.063 656 HA ILE 87 HA ILE 87 5.221 -1.335 -7.741 657 HB ILE 87 HB ILE 87 4.810 -1.934 -10.679 658 HG12 ILE 87 HG12 ILE 87 7.229 -2.731 -10.452 659 HG13 ILE 87 HG13 ILE 87 7.016 -2.605 -8.710 660 HG21 ILE 87 HG21 ILE 87 6.781 -0.501 -11.091 661 HG22 ILE 87 HG22 ILE 87 6.748 -0.003 -9.399 662 HG23 ILE 87 HG23 ILE 87 5.402 0.403 -10.463 663 HD11 ILE 87 HD11 ILE 87 6.738 -4.887 -9.476 664 HD12 ILE 87 HD12 ILE 87 5.441 -4.384 -10.561 665 HD13 ILE 87 HD13 ILE 87 5.228 -4.263 -8.815 666 H TRP 88 H TRP 88 4.459 0.579 -7.076 667 HA TRP 88 HA TRP 88 2.202 1.913 -8.245 668 HB2 TRP 88 HB2 TRP 88 3.027 2.122 -5.825 669 HB3 TRP 88 HB3 TRP 88 4.291 3.172 -6.451 670 HD1 TRP 88 HD1 TRP 88 2.276 4.739 -8.551 671 HE1 TRP 88 HE1 TRP 88 0.670 6.490 -7.569 672 HE3 TRP 88 HE3 TRP 88 2.278 3.207 -3.670 673 HZ2 TRP 88 HZ2 TRP 88 -0.436 7.143 -5.077 674 HZ3 TRP 88 HZ3 TRP 88 0.914 4.461 -2.050 675 HH2 TRP 88 HH2 TRP 88 -0.416 6.389 -2.742 676 H LYS 89 H LYS 89 2.784 2.046 -10.445 677 HA LYS 89 HA LYS 89 5.270 3.199 -11.299 678 HB2 LYS 89 HB2 LYS 89 4.026 1.356 -12.451 679 HB3 LYS 89 HB3 LYS 89 2.808 2.529 -12.926 680 HG2 LYS 89 HG2 LYS 89 4.328 3.661 -14.359 681 HG3 LYS 89 HG3 LYS 89 5.710 2.779 -13.702 682 HD2 LYS 89 HD2 LYS 89 4.894 0.703 -14.656 683 HD3 LYS 89 HD3 LYS 89 3.419 1.498 -15.206 684 HE2 LYS 89 HE2 LYS 89 6.196 2.225 -16.134 685 HE3 LYS 89 HE3 LYS 89 5.111 1.136 -16.998 686 HZ1 LYS 89 HZ1 LYS 89 4.614 4.002 -16.402 687 HZ2 LYS 89 HZ2 LYS 89 3.510 2.966 -17.158 688 HZ3 LYS 89 HZ3 LYS 89 4.975 3.340 -17.913 689 H ASN 90 H ASN 90 3.136 4.883 -9.805 690 HA ASN 90 HA ASN 90 3.150 7.170 -11.672 691 HB2 ASN 90 HB2 ASN 90 0.931 6.415 -9.750 692 HB3 ASN 90 HB3 ASN 90 0.969 7.877 -10.728 693 HD21 ASN 90 HD21 ASN 90 2.134 6.452 -13.037 694 HD22 ASN 90 HD22 ASN 90 0.831 5.542 -13.707 695 H GLN 91 H GLN 91 4.725 6.219 -9.081 696 HA GLN 91 HA GLN 91 4.913 8.907 -7.944 697 HB2 GLN 91 HB2 GLN 91 3.188 7.800 -6.569 698 HB3 GLN 91 HB3 GLN 91 4.301 6.481 -6.230 699 HG2 GLN 91 HG2 GLN 91 5.814 8.128 -5.118 700 HG3 GLN 91 HG3 GLN 91 4.566 9.353 -5.351 701 HE21 GLN 91 HE21 GLN 91 3.900 6.009 -4.580 702 HE22 GLN 91 HE22 GLN 91 3.298 6.299 -2.995 703 H ASN 92 H ASN 92 6.919 9.367 -7.005 704 HA ASN 92 HA ASN 92 8.993 7.315 -7.390 705 HB2 ASN 92 HB2 ASN 92 9.159 10.324 -7.143 706 HB3 ASN 92 HB3 ASN 92 10.575 9.277 -7.195 707 HD21 ASN 92 HD21 ASN 92 11.053 8.162 -9.115 708 HD22 ASN 92 HD22 ASN 92 10.373 8.649 -10.626 709 H SER 93 H SER 93 10.579 9.330 -5.461 710 HA SER 93 HA SER 93 10.574 7.384 -3.351 711 HB2 SER 93 HB2 SER 93 12.429 8.679 -2.415 712 HB3 SER 93 HB3 SER 93 12.658 8.425 -4.144 713 HG SER 93 HG SER 93 12.822 10.681 -2.975 714 H TRP 94 H TRP 94 8.561 9.964 -3.785 715 HA TRP 94 HA TRP 94 7.335 11.371 -2.490 716 HB2 TRP 94 HB2 TRP 94 6.133 10.273 -0.632 717 HB3 TRP 94 HB3 TRP 94 6.156 9.306 -2.096 718 HD1 TRP 94 HD1 TRP 94 8.006 9.447 1.325 719 HE1 TRP 94 HE1 TRP 94 8.618 7.034 1.991 720 HE3 TRP 94 HE3 TRP 94 6.361 7.000 -2.859 721 HZ2 TRP 94 HZ2 TRP 94 8.421 4.442 0.893 722 HZ3 TRP 94 HZ3 TRP 94 6.609 4.555 -2.966 723 HH2 TRP 94 HH2 TRP 94 7.618 3.304 -1.131 724 H GLY 95 H GLY 95 10.307 11.383 -1.802 725 HA2 GLY 95 HA2 GLY 95 10.969 13.403 -0.511 726 HA3 GLY 95 HA3 GLY 95 9.995 12.768 0.802 727 H THR 96 H THR 96 11.881 12.958 2.138 728 HA THR 96 HA THR 96 13.737 10.672 1.827 729 HB THR 96 HB THR 96 15.025 12.666 1.386 730 HG1 THR 96 HG1 THR 96 16.129 12.541 3.777 731 HG21 THR 96 HG21 THR 96 14.044 13.722 4.047 732 HG22 THR 96 HG22 THR 96 13.545 14.314 2.460 733 HG23 THR 96 HG23 THR 96 15.216 14.507 2.987 734 H GLY 97 H GLY 97 11.892 12.719 4.014 735 HA2 GLY 97 HA2 GLY 97 11.496 10.549 5.846 736 HA3 GLY 97 HA3 GLY 97 12.596 11.758 6.501 737 H GLU 98 H GLU 98 9.640 12.000 4.532 738 HA GLU 98 HA GLU 98 8.756 14.231 6.190 739 HB2 GLU 98 HB2 GLU 98 7.268 13.187 3.793 740 HB3 GLU 98 HB3 GLU 98 7.325 14.823 4.429 741 HG2 GLU 98 HG2 GLU 98 9.430 13.375 2.843 742 HG3 GLU 98 HG3 GLU 98 8.537 14.827 2.401 743 H ASP 99 H ASP 99 6.484 14.365 6.872 744 HA ASP 99 HA ASP 99 5.501 11.926 8.055 745 HB2 ASP 99 HB2 ASP 99 3.630 13.470 8.835 746 HB3 ASP 99 HB3 ASP 99 5.255 13.895 9.361 747 H VAL 100 H VAL 100 5.577 11.550 5.359 748 HA VAL 100 HA VAL 100 3.201 12.158 3.944 749 HB VAL 100 HB VAL 100 5.261 11.648 2.774 750 HG11 VAL 100 HG11 VAL 100 6.194 9.383 2.690 751 HG12 VAL 100 HG12 VAL 100 5.013 8.853 3.888 752 HG13 VAL 100 HG13 VAL 100 6.236 10.048 4.323 753 HG21 VAL 100 HG21 VAL 100 3.103 9.604 2.225 754 HG22 VAL 100 HG22 VAL 100 4.417 10.016 1.120 755 HG23 VAL 100 HG23 VAL 100 3.218 11.232 1.554 756 H LYS 101 H LYS 101 1.319 10.998 3.627 757 HA LYS 101 HA LYS 101 0.938 8.629 5.351 758 HB2 LYS 101 HB2 LYS 101 0.200 10.683 6.497 759 HB3 LYS 101 HB3 LYS 101 -0.892 11.034 5.165 760 HG2 LYS 101 HG2 LYS 101 -2.211 9.091 5.674 761 HG3 LYS 101 HG3 LYS 101 -1.059 8.582 6.908 762 HD2 LYS 101 HD2 LYS 101 -3.068 9.666 7.864 763 HD3 LYS 101 HD3 LYS 101 -1.581 10.532 8.254 764 HE2 LYS 101 HE2 LYS 101 -3.372 12.079 7.644 765 HE3 LYS 101 HE3 LYS 101 -2.055 12.152 6.476 766 HZ1 LYS 101 HZ1 LYS 101 -4.576 10.624 6.106 767 HZ2 LYS 101 HZ2 LYS 101 -3.339 10.793 4.968 768 HZ3 LYS 101 HZ3 LYS 101 -4.256 12.137 5.428 769 H VAL 102 H VAL 102 -0.837 7.213 4.765 770 HA VAL 102 HA VAL 102 -1.486 7.377 1.879 771 HB VAL 102 HB VAL 102 0.269 5.723 2.362 772 HG11 VAL 102 HG11 VAL 102 -1.818 4.387 4.091 773 HG12 VAL 102 HG12 VAL 102 -0.311 5.126 4.633 774 HG13 VAL 102 HG13 VAL 102 -0.269 3.674 3.632 775 HG21 VAL 102 HG21 VAL 102 -0.735 3.809 1.206 776 HG22 VAL 102 HG22 VAL 102 -1.230 5.334 0.473 777 HG23 VAL 102 HG23 VAL 102 -2.344 4.456 1.522 778 H ILE 103 H ILE 103 -3.398 6.255 1.156 779 HA ILE 103 HA ILE 103 -5.534 5.910 3.179 780 HB ILE 103 HB ILE 103 -5.734 7.234 0.455 781 HG12 ILE 103 HG12 ILE 103 -4.803 8.612 2.376 782 HG13 ILE 103 HG13 ILE 103 -6.230 9.273 1.588 783 HG21 ILE 103 HG21 ILE 103 -7.926 6.584 2.429 784 HG22 ILE 103 HG22 ILE 103 -7.712 5.895 0.819 785 HG23 ILE 103 HG23 ILE 103 -8.119 7.601 1.001 786 HD11 ILE 103 HD11 ILE 103 -7.626 8.465 3.407 787 HD12 ILE 103 HD12 ILE 103 -6.337 9.509 4.007 788 HD13 ILE 103 HD13 ILE 103 -6.211 7.759 4.188 789 H LEU 104 H LEU 104 -6.716 4.008 2.965 790 HA LEU 104 HA LEU 104 -6.490 2.521 0.411 791 HB2 LEU 104 HB2 LEU 104 -6.917 1.471 3.212 792 HB3 LEU 104 HB3 LEU 104 -7.077 0.486 1.772 793 HG LEU 104 HG LEU 104 -4.548 1.802 2.780 794 HD11 LEU 104 HD11 LEU 104 -3.784 -0.502 3.078 795 HD12 LEU 104 HD12 LEU 104 -5.350 -1.100 2.532 796 HD13 LEU 104 HD13 LEU 104 -5.230 -0.181 4.034 797 HD21 LEU 104 HD21 LEU 104 -5.006 0.147 0.290 798 HD22 LEU 104 HD22 LEU 104 -3.431 0.642 0.912 799 HD23 LEU 104 HD23 LEU 104 -4.576 1.856 0.346 800 H LYS 105 H LYS 105 -8.284 2.773 -0.778 801 HA LYS 105 HA LYS 105 -10.913 2.543 0.569 802 HB2 LYS 105 HB2 LYS 105 -10.204 4.174 -1.885 803 HB3 LYS 105 HB3 LYS 105 -11.840 3.934 -1.285 804 HG2 LYS 105 HG2 LYS 105 -11.203 5.043 0.824 805 HG3 LYS 105 HG3 LYS 105 -9.594 5.339 0.161 806 HD2 LYS 105 HD2 LYS 105 -10.541 6.716 -1.605 807 HD3 LYS 105 HD3 LYS 105 -12.175 6.346 -1.053 808 HE2 LYS 105 HE2 LYS 105 -11.693 7.454 1.087 809 HE3 LYS 105 HE3 LYS 105 -10.072 7.843 0.513 810 HZ1 LYS 105 HZ1 LYS 105 -11.043 9.173 -1.243 811 HZ2 LYS 105 HZ2 LYS 105 -11.586 9.710 0.266 812 HZ3 LYS 105 HZ3 LYS 105 -12.602 8.785 -0.722 813 H ASN 106 H ASN 106 -12.600 1.467 -0.640 814 HA ASN 106 HA ASN 106 -11.563 -0.605 -2.429 815 HB2 ASN 106 HB2 ASN 106 -14.350 -0.269 -1.291 816 HB3 ASN 106 HB3 ASN 106 -13.757 -1.668 -2.183 817 HD21 ASN 106 HD21 ASN 106 -12.120 -2.965 -1.196 818 HD22 ASN 106 HD22 ASN 106 -11.968 -2.998 0.523 819 H SER 107 H SER 107 -13.249 -1.275 -4.204 820 HA SER 107 HA SER 107 -13.331 0.656 -6.217 821 HB2 SER 107 HB2 SER 107 -14.893 -0.902 -7.384 822 HB3 SER 107 HB3 SER 107 -13.479 -1.723 -6.719 823 HG SER 107 HG SER 107 -15.893 -2.448 -6.322 824 H GLN 108 H GLN 108 -15.502 0.185 -3.575 825 HA GLN 108 HA GLN 108 -17.718 1.612 -4.776 826 HB2 GLN 108 HB2 GLN 108 -17.283 0.714 -1.920 827 HB3 GLN 108 HB3 GLN 108 -18.784 1.363 -2.566 828 HG2 GLN 108 HG2 GLN 108 -18.897 -0.548 -4.137 829 HG3 GLN 108 HG3 GLN 108 -17.441 -1.207 -3.395 830 HE21 GLN 108 HE21 GLN 108 -18.500 -3.073 -2.728 831 HE22 GLN 108 HE22 GLN 108 -19.635 -3.076 -1.426 832 H GLY 109 H GLY 109 -14.817 2.622 -3.464 833 HA2 GLY 109 HA2 GLY 109 -14.145 4.869 -3.365 834 HA3 GLY 109 HA3 GLY 109 -15.825 5.357 -3.257 835 H GLU 110 H GLU 110 -16.061 3.242 -0.997 836 HA GLU 110 HA GLU 110 -15.574 5.087 1.140 837 HB2 GLU 110 HB2 GLU 110 -16.417 3.205 2.590 838 HB3 GLU 110 HB3 GLU 110 -17.521 3.744 1.332 839 HG2 GLU 110 HG2 GLU 110 -16.757 1.820 -0.066 840 HG3 GLU 110 HG3 GLU 110 -15.831 1.249 1.325 841 H GLU 111 H GLU 111 -14.310 4.644 3.060 842 HA GLU 111 HA GLU 111 -11.678 3.624 2.240 843 HB2 GLU 111 HB2 GLU 111 -11.827 5.985 2.871 844 HB3 GLU 111 HB3 GLU 111 -12.476 5.539 4.442 845 HG2 GLU 111 HG2 GLU 111 -10.349 4.389 4.960 846 HG3 GLU 111 HG3 GLU 111 -9.704 4.945 3.416 847 H VAL 112 H VAL 112 -10.793 1.870 3.168 848 HA VAL 112 HA VAL 112 -12.115 0.565 5.407 849 HB VAL 112 HB VAL 112 -9.635 -0.242 3.859 850 HG11 VAL 112 HG11 VAL 112 -9.618 -1.192 6.114 851 HG12 VAL 112 HG12 VAL 112 -9.913 -2.444 4.908 852 HG13 VAL 112 HG13 VAL 112 -11.249 -1.820 5.874 853 HG21 VAL 112 HG21 VAL 112 -11.627 -0.265 2.472 854 HG22 VAL 112 HG22 VAL 112 -12.494 -1.209 3.684 855 HG23 VAL 112 HG23 VAL 112 -11.123 -1.916 2.827 856 H ALA 113 H ALA 113 -8.812 1.799 4.753 857 HA ALA 113 HA ALA 113 -8.501 2.576 7.525 858 HB1 ALA 113 HB1 ALA 113 -6.684 0.437 6.410 859 HB2 ALA 113 HB2 ALA 113 -7.981 0.164 7.575 860 HB3 ALA 113 HB3 ALA 113 -6.600 1.168 8.015 861 H GLN 114 H GLN 114 -6.330 3.511 7.956 862 HA GLN 114 HA GLN 114 -4.722 4.344 5.708 863 HB2 GLN 114 HB2 GLN 114 -4.996 6.791 6.268 864 HB3 GLN 114 HB3 GLN 114 -6.380 6.040 5.493 865 HG2 GLN 114 HG2 GLN 114 -7.554 5.908 7.596 866 HG3 GLN 114 HG3 GLN 114 -6.141 6.514 8.459 867 HE21 GLN 114 HE21 GLN 114 -8.899 7.573 8.196 868 HE22 GLN 114 HE22 GLN 114 -8.711 9.187 7.613 869 H ARG 115 H ARG 115 -2.720 5.385 6.368 870 HA ARG 115 HA ARG 115 -2.083 5.626 9.172 871 HB2 ARG 115 HB2 ARG 115 -2.027 3.130 8.697 872 HB3 ARG 115 HB3 ARG 115 -0.662 3.439 7.633 873 HG2 ARG 115 HG2 ARG 115 0.669 4.228 9.478 874 HG3 ARG 115 HG3 ARG 115 -0.717 4.139 10.566 875 HD2 ARG 115 HD2 ARG 115 -0.790 1.653 10.047 876 HD3 ARG 115 HD3 ARG 115 0.786 1.862 9.280 877 HE ARG 115 HE ARG 115 1.058 2.952 11.779 878 HH11 ARG 115 HH11 ARG 115 0.200 -0.154 10.544 879 HH12 ARG 115 HH12 ARG 115 0.737 -0.980 11.965 880 HH21 ARG 115 HH21 ARG 115 1.749 1.887 13.572 881 HH22 ARG 115 HH22 ARG 115 1.602 0.166 13.667 882 H SER 116 H SER 116 0.022 6.539 9.561 883 HA SER 116 HA SER 116 1.268 7.714 7.140 884 HB2 SER 116 HB2 SER 116 1.918 9.626 8.535 885 HB3 SER 116 HB3 SER 116 0.173 9.389 8.582 886 HG SER 116 HG SER 116 2.100 8.808 10.571 887 H THR 117 H THR 117 3.597 8.556 7.730 888 HA THR 117 HA THR 117 5.180 6.307 8.579 889 HB THR 117 HB THR 117 7.128 7.843 8.218 890 HG1 THR 117 HG1 THR 117 6.726 9.914 7.400 891 HG21 THR 117 HG21 THR 117 5.137 7.761 5.940 892 HG22 THR 117 HG22 THR 117 6.255 6.466 6.375 893 HG23 THR 117 HG23 THR 117 6.877 8.009 5.787 894 H VAL 118 H VAL 118 6.617 6.234 10.353 895 HA VAL 118 HA VAL 118 5.724 7.823 12.664 896 HB VAL 118 HB VAL 118 7.313 5.242 12.615 897 HG11 VAL 118 HG11 VAL 118 7.740 6.543 14.632 898 HG12 VAL 118 HG12 VAL 118 6.783 5.111 15.012 899 HG13 VAL 118 HG13 VAL 118 6.005 6.690 14.923 900 HG21 VAL 118 HG21 VAL 118 4.373 5.686 13.164 901 HG22 VAL 118 HG22 VAL 118 5.230 4.155 13.344 902 HG23 VAL 118 HG23 VAL 118 5.062 4.890 11.749 903 H PHE 119 H PHE 119 7.162 8.992 13.932 904 HA PHE 119 HA PHE 119 9.556 9.971 12.814 905 HB2 PHE 119 HB2 PHE 119 8.281 11.232 14.476 906 HB3 PHE 119 HB3 PHE 119 8.603 10.005 15.694 907 HD1 PHE 119 HD1 PHE 119 10.241 12.550 13.540 908 HD2 PHE 119 HD2 PHE 119 10.543 10.115 17.025 909 HE1 PHE 119 HE1 PHE 119 12.273 13.766 14.214 910 HE2 PHE 119 HE2 PHE 119 12.573 11.330 17.702 911 HZ PHE 119 HZ PHE 119 13.439 13.156 16.295 912 H LYS 120 H LYS 120 11.144 8.516 12.324 913 HA LYS 120 HA LYS 120 12.076 6.705 14.463 914 HB2 LYS 120 HB2 LYS 120 12.283 6.363 11.463 915 HB3 LYS 120 HB3 LYS 120 12.964 5.263 12.648 916 HG2 LYS 120 HG2 LYS 120 10.018 5.860 12.547 917 HG3 LYS 120 HG3 LYS 120 10.757 4.622 11.538 918 HD2 LYS 120 HD2 LYS 120 9.941 3.468 13.423 919 HD3 LYS 120 HD3 LYS 120 11.674 3.621 13.701 920 HE2 LYS 120 HE2 LYS 120 11.289 5.482 15.222 921 HE3 LYS 120 HE3 LYS 120 9.560 5.423 14.888 922 HZ1 LYS 120 HZ1 LYS 120 11.130 3.247 16.153 923 HZ2 LYS 120 HZ2 LYS 120 9.464 3.240 15.875 924 HZ3 LYS 120 HZ3 LYS 120 10.132 4.335 16.974 925 H THR 121 H THR 121 14.215 6.539 14.931 926 HA THR 121 HA THR 121 16.200 8.037 13.357 927 HB THR 121 HB THR 121 15.617 9.550 15.186 928 HG1 THR 121 HG1 THR 121 18.146 8.291 15.230 929 HG21 THR 121 HG21 THR 121 14.730 7.937 16.792 930 HG22 THR 121 HG22 THR 121 15.982 8.930 17.537 931 HG23 THR 121 HG23 THR 121 16.345 7.278 17.044 932 H THR 122 H THR 122 15.551 5.237 13.535 933 HA THR 122 HA THR 122 17.453 3.911 15.250 934 HB THR 122 HB THR 122 16.697 1.836 14.064 935 HG1 THR 122 HG1 THR 122 16.179 2.823 12.047 936 HG21 THR 122 HG21 THR 122 15.528 2.600 16.072 937 HG22 THR 122 HG22 THR 122 14.390 1.888 14.927 938 HG23 THR 122 HG23 THR 122 14.495 3.640 15.092 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -11.692 -8.753 -23.102 2 H2 MET 1 H2 MET 1 -12.865 -9.954 -23.314 3 H3 MET 1 H3 MET 1 -11.271 -10.221 -23.823 4 HA MET 1 HA MET 1 -10.471 -10.163 -21.573 5 HB2 MET 1 HB2 MET 1 -13.387 -9.765 -20.849 6 HB3 MET 1 HB3 MET 1 -12.092 -10.057 -19.695 7 HG2 MET 1 HG2 MET 1 -11.001 -7.969 -20.444 8 HG3 MET 1 HG3 MET 1 -12.371 -7.668 -21.510 9 HE1 MET 1 HE1 MET 1 -12.951 -4.978 -18.755 10 HE2 MET 1 HE2 MET 1 -12.793 -5.295 -20.482 11 HE3 MET 1 HE3 MET 1 -11.403 -5.497 -19.418 12 H GLY 2 H GLY 2 -12.182 -11.936 -23.646 13 HA2 GLY 2 HA2 GLY 2 -12.080 -14.240 -23.904 14 HA3 GLY 2 HA3 GLY 2 -11.554 -14.391 -22.237 15 H HIS 3 H HIS 3 -13.116 -16.280 -22.643 16 HA HIS 3 HA HIS 3 -15.945 -15.601 -22.413 17 HB2 HIS 3 HB2 HIS 3 -14.544 -18.289 -22.508 18 HB3 HIS 3 HB3 HIS 3 -16.289 -18.053 -22.520 19 HD1 HIS 3 HD1 HIS 3 -17.376 -17.450 -24.729 20 HD2 HIS 3 HD2 HIS 3 -13.227 -17.472 -24.921 21 HE1 HIS 3 HE1 HIS 3 -16.817 -17.242 -27.162 22 HE2 HIS 3 HE2 HIS 3 -14.314 -17.056 -27.231 23 H HIS 4 H HIS 4 -13.914 -15.065 -20.257 24 HA HIS 4 HA HIS 4 -14.346 -16.829 -18.063 25 HB2 HIS 4 HB2 HIS 4 -12.382 -15.256 -18.469 26 HB3 HIS 4 HB3 HIS 4 -13.429 -13.944 -17.956 27 HD1 HIS 4 HD1 HIS 4 -14.458 -14.397 -15.388 28 HD2 HIS 4 HD2 HIS 4 -10.920 -16.290 -16.463 29 HE1 HIS 4 HE1 HIS 4 -13.309 -14.958 -13.225 30 HE2 HIS 4 HE2 HIS 4 -11.080 -15.901 -13.914 31 H HIS 5 H HIS 5 -16.834 -16.758 -18.429 32 HA HIS 5 HA HIS 5 -18.045 -14.485 -16.968 33 HB2 HIS 5 HB2 HIS 5 -19.302 -16.203 -19.122 34 HB3 HIS 5 HB3 HIS 5 -20.110 -14.901 -18.255 35 HD1 HIS 5 HD1 HIS 5 -18.729 -15.460 -21.399 36 HD2 HIS 5 HD2 HIS 5 -18.322 -12.379 -18.647 37 HE1 HIS 5 HE1 HIS 5 -17.902 -13.493 -22.714 38 HE2 HIS 5 HE2 HIS 5 -17.854 -11.596 -21.068 39 H HIS 6 H HIS 6 -18.300 -15.212 -14.917 40 HA HIS 6 HA HIS 6 -20.264 -17.340 -14.516 41 HB2 HIS 6 HB2 HIS 6 -17.555 -17.319 -13.150 42 HB3 HIS 6 HB3 HIS 6 -18.919 -18.294 -12.614 43 HD1 HIS 6 HD1 HIS 6 -19.518 -20.373 -14.011 44 HD2 HIS 6 HD2 HIS 6 -16.260 -18.248 -15.470 45 HE1 HIS 6 HE1 HIS 6 -18.464 -21.856 -15.738 46 HE2 HIS 6 HE2 HIS 6 -16.621 -20.470 -16.732 47 H HIS 7 H HIS 7 -20.501 -17.436 -11.851 48 HA HIS 7 HA HIS 7 -21.478 -14.803 -11.186 49 HB2 HIS 7 HB2 HIS 7 -21.459 -17.342 -9.536 50 HB3 HIS 7 HB3 HIS 7 -22.333 -15.866 -9.131 51 HD1 HIS 7 HD1 HIS 7 -22.864 -19.045 -10.645 52 HD2 HIS 7 HD2 HIS 7 -24.251 -15.202 -11.399 53 HE1 HIS 7 HE1 HIS 7 -24.947 -19.338 -12.010 54 HE2 HIS 7 HE2 HIS 7 -25.841 -17.012 -12.335 55 H HIS 8 H HIS 8 -20.448 -13.270 -10.098 56 HA HIS 8 HA HIS 8 -17.791 -13.788 -9.026 57 HB2 HIS 8 HB2 HIS 8 -19.343 -11.199 -9.311 58 HB3 HIS 8 HB3 HIS 8 -17.667 -11.319 -8.783 59 HD1 HIS 8 HD1 HIS 8 -15.910 -11.382 -10.577 60 HD2 HIS 8 HD2 HIS 8 -19.737 -11.972 -12.084 61 HE1 HIS 8 HE1 HIS 8 -15.666 -11.327 -13.076 62 HE2 HIS 8 HE2 HIS 8 -17.966 -11.817 -13.963 63 H SER 9 H SER 9 -17.188 -12.667 -6.906 64 HA SER 9 HA SER 9 -19.349 -13.015 -4.914 65 HB2 SER 9 HB2 SER 9 -16.456 -13.883 -4.647 66 HB3 SER 9 HB3 SER 9 -17.649 -13.937 -3.347 67 HG SER 9 HG SER 9 -18.894 -15.359 -4.703 68 H HIS 10 H HIS 10 -19.495 -11.538 -3.278 69 HA HIS 10 HA HIS 10 -17.928 -9.090 -3.594 70 HB2 HIS 10 HB2 HIS 10 -20.425 -9.733 -2.012 71 HB3 HIS 10 HB3 HIS 10 -19.612 -8.173 -1.929 72 HD1 HIS 10 HD1 HIS 10 -20.296 -6.494 -3.622 73 HD2 HIS 10 HD2 HIS 10 -21.395 -10.343 -4.728 74 HE1 HIS 10 HE1 HIS 10 -21.677 -6.225 -5.696 75 HE2 HIS 10 HE2 HIS 10 -22.519 -8.537 -6.202 76 H MET 11 H MET 11 -16.131 -8.822 -2.458 77 HA MET 11 HA MET 11 -16.039 -9.736 0.350 78 HB2 MET 11 HB2 MET 11 -13.986 -9.945 -1.823 79 HB3 MET 11 HB3 MET 11 -13.434 -9.696 -0.173 80 HG2 MET 11 HG2 MET 11 -15.231 -11.948 -1.045 81 HG3 MET 11 HG3 MET 11 -13.480 -12.067 -0.855 82 HE1 MET 11 HE1 MET 11 -15.472 -14.040 0.629 83 HE2 MET 11 HE2 MET 11 -14.769 -14.069 2.248 84 HE3 MET 11 HE3 MET 11 -13.719 -14.092 0.828 85 H THR 12 H THR 12 -15.297 -8.303 1.867 86 HA THR 12 HA THR 12 -15.052 -5.512 1.127 87 HB THR 12 HB THR 12 -14.822 -5.084 3.536 88 HG1 THR 12 HG1 THR 12 -14.067 -6.614 4.774 89 HG21 THR 12 HG21 THR 12 -16.998 -7.098 2.925 90 HG22 THR 12 HG22 THR 12 -17.090 -5.356 2.659 91 HG23 THR 12 HG23 THR 12 -16.983 -5.994 4.300 92 H GLY 13 H GLY 13 -12.957 -7.867 2.798 93 HA2 GLY 13 HA2 GLY 13 -10.680 -8.247 2.192 94 HA3 GLY 13 HA3 GLY 13 -10.612 -6.629 1.521 95 H ASN 14 H ASN 14 -10.102 -8.580 4.321 96 HA ASN 14 HA ASN 14 -9.692 -6.275 6.063 97 HB2 ASN 14 HB2 ASN 14 -9.233 -9.217 6.644 98 HB3 ASN 14 HB3 ASN 14 -9.227 -7.910 7.822 99 HD21 ASN 14 HD21 ASN 14 -11.213 -6.851 8.277 100 HD22 ASN 14 HD22 ASN 14 -12.718 -7.650 8.004 101 H VAL 15 H VAL 15 -7.926 -5.185 5.329 102 HA VAL 15 HA VAL 15 -5.332 -6.557 5.577 103 HB VAL 15 HB VAL 15 -5.870 -6.365 3.164 104 HG11 VAL 15 HG11 VAL 15 -5.940 -4.157 2.088 105 HG12 VAL 15 HG12 VAL 15 -5.893 -3.386 3.675 106 HG13 VAL 15 HG13 VAL 15 -7.277 -4.380 3.217 107 HG21 VAL 15 HG21 VAL 15 -3.776 -5.330 2.453 108 HG22 VAL 15 HG22 VAL 15 -3.527 -6.306 3.902 109 HG23 VAL 15 HG23 VAL 15 -3.610 -4.548 4.026 110 H CYS 16 H CYS 16 -3.595 -5.197 6.257 111 HA CYS 16 HA CYS 16 -4.353 -2.494 7.170 112 HB2 CYS 16 HB2 CYS 16 -3.186 -2.939 9.330 113 HB3 CYS 16 HB3 CYS 16 -4.629 -3.921 9.101 114 HG CYS 16 HG CYS 16 -2.171 -5.155 10.306 115 H ILE 17 H ILE 17 -2.701 -0.965 7.234 116 HA ILE 17 HA ILE 17 -0.379 -1.482 5.626 117 HB ILE 17 HB ILE 17 -0.967 0.947 7.342 118 HG12 ILE 17 HG12 ILE 17 -1.485 0.455 4.391 119 HG13 ILE 17 HG13 ILE 17 -2.715 0.575 5.645 120 HG21 ILE 17 HG21 ILE 17 1.395 0.766 6.794 121 HG22 ILE 17 HG22 ILE 17 0.665 2.085 5.880 122 HG23 ILE 17 HG23 ILE 17 1.010 0.547 5.088 123 HD11 ILE 17 HD11 ILE 17 -2.132 2.901 6.019 124 HD12 ILE 17 HD12 ILE 17 -2.538 2.620 4.327 125 HD13 ILE 17 HD13 ILE 17 -0.852 2.790 4.811 126 H GLU 18 H GLU 18 0.978 -2.954 6.544 127 HA GLU 18 HA GLU 18 1.520 -3.206 9.288 128 HB2 GLU 18 HB2 GLU 18 1.864 -5.017 7.673 129 HB3 GLU 18 HB3 GLU 18 3.178 -4.117 6.926 130 HG2 GLU 18 HG2 GLU 18 4.505 -4.300 8.934 131 HG3 GLU 18 HG3 GLU 18 3.170 -5.075 9.787 132 H GLU 19 H GLU 19 3.561 -1.794 6.712 133 HA GLU 19 HA GLU 19 4.568 0.200 8.545 134 HB2 GLU 19 HB2 GLU 19 6.007 -1.748 9.062 135 HB3 GLU 19 HB3 GLU 19 6.481 -1.835 7.372 136 HG2 GLU 19 HG2 GLU 19 8.212 -0.766 8.692 137 HG3 GLU 19 HG3 GLU 19 7.518 0.377 7.543 138 H ILE 20 H ILE 20 5.474 1.974 7.511 139 HA ILE 20 HA ILE 20 5.634 1.847 4.556 140 HB ILE 20 HB ILE 20 5.232 4.362 6.194 141 HG12 ILE 20 HG12 ILE 20 3.129 2.757 4.704 142 HG13 ILE 20 HG13 ILE 20 3.287 2.826 6.455 143 HG21 ILE 20 HG21 ILE 20 4.944 3.783 3.238 144 HG22 ILE 20 HG22 ILE 20 6.236 4.711 4.002 145 HG23 ILE 20 HG23 ILE 20 4.582 5.326 4.016 146 HD11 ILE 20 HD11 ILE 20 1.513 4.278 5.725 147 HD12 ILE 20 HD12 ILE 20 2.608 5.121 4.628 148 HD13 ILE 20 HD13 ILE 20 2.838 5.243 6.372 149 H ASP 21 H ASP 21 7.634 2.114 3.717 150 HA ASP 21 HA ASP 21 9.871 1.917 5.327 151 HB2 ASP 21 HB2 ASP 21 9.878 1.200 3.013 152 HB3 ASP 21 HB3 ASP 21 9.719 2.869 2.465 153 H VAL 22 H VAL 22 11.308 3.253 6.238 154 HA VAL 22 HA VAL 22 10.524 5.958 6.715 155 HB VAL 22 HB VAL 22 11.548 4.522 8.450 156 HG11 VAL 22 HG11 VAL 22 14.102 4.870 6.872 157 HG12 VAL 22 HG12 VAL 22 13.199 3.367 7.068 158 HG13 VAL 22 HG13 VAL 22 13.965 4.123 8.465 159 HG21 VAL 22 HG21 VAL 22 13.025 6.224 9.429 160 HG22 VAL 22 HG22 VAL 22 11.578 6.950 8.732 161 HG23 VAL 22 HG23 VAL 22 13.112 7.044 7.870 162 H ASP 23 H ASP 23 12.715 4.484 4.453 163 HA ASP 23 HA ASP 23 14.189 6.953 3.979 164 HB2 ASP 23 HB2 ASP 23 15.267 4.673 3.874 165 HB3 ASP 23 HB3 ASP 23 14.333 4.362 2.414 166 H GLY 24 H GLY 24 11.465 5.243 2.678 167 HA2 GLY 24 HA2 GLY 24 9.767 6.384 1.449 168 HA3 GLY 24 HA3 GLY 24 10.984 7.480 0.823 169 H LYS 25 H LYS 25 11.507 4.027 0.826 170 HA LYS 25 HA LYS 25 11.638 4.094 -2.095 171 HB2 LYS 25 HB2 LYS 25 12.617 2.067 -0.078 172 HB3 LYS 25 HB3 LYS 25 12.784 1.883 -1.819 173 HG2 LYS 25 HG2 LYS 25 14.175 3.876 -1.922 174 HG3 LYS 25 HG3 LYS 25 13.964 4.131 -0.189 175 HD2 LYS 25 HD2 LYS 25 16.102 3.114 -0.522 176 HD3 LYS 25 HD3 LYS 25 15.043 1.909 0.200 177 HE2 LYS 25 HE2 LYS 25 15.681 2.100 -2.747 178 HE3 LYS 25 HE3 LYS 25 16.484 1.016 -1.618 179 HZ1 LYS 25 HZ1 LYS 25 14.227 0.058 -1.165 180 HZ2 LYS 25 HZ2 LYS 25 14.832 -0.223 -2.719 181 HZ3 LYS 25 HZ3 LYS 25 13.648 0.953 -2.479 182 H PHE 26 H PHE 26 9.668 2.620 0.424 183 HA PHE 26 HA PHE 26 7.813 1.619 -1.530 184 HB2 PHE 26 HB2 PHE 26 7.994 -0.769 -0.962 185 HB3 PHE 26 HB3 PHE 26 9.488 -0.162 -1.662 186 HD1 PHE 26 HD1 PHE 26 11.510 0.028 -0.319 187 HD2 PHE 26 HD2 PHE 26 7.884 -1.443 1.377 188 HE1 PHE 26 HE1 PHE 26 12.762 -0.835 1.614 189 HE2 PHE 26 HE2 PHE 26 9.136 -2.305 3.309 190 HZ PHE 26 HZ PHE 26 11.574 -2.003 3.431 191 H ILE 27 H ILE 27 6.070 0.228 -0.468 192 HA ILE 27 HA ILE 27 5.654 0.887 2.389 193 HB ILE 27 HB ILE 27 3.456 0.720 0.299 194 HG12 ILE 27 HG12 ILE 27 4.600 3.178 1.661 195 HG13 ILE 27 HG13 ILE 27 4.845 2.741 -0.026 196 HG21 ILE 27 HG21 ILE 27 3.364 1.577 3.198 197 HG22 ILE 27 HG22 ILE 27 2.757 0.053 2.551 198 HG23 ILE 27 HG23 ILE 27 2.002 1.573 2.074 199 HD11 ILE 27 HD11 ILE 27 2.470 3.010 -0.456 200 HD12 ILE 27 HD12 ILE 27 3.162 4.480 0.230 201 HD13 ILE 27 HD13 ILE 27 2.196 3.405 1.243 202 H ARG 28 H ARG 28 4.568 -0.806 3.609 203 HA ARG 28 HA ARG 28 4.294 -3.367 2.173 204 HB2 ARG 28 HB2 ARG 28 6.432 -3.457 3.259 205 HB3 ARG 28 HB3 ARG 28 5.747 -2.899 4.781 206 HG2 ARG 28 HG2 ARG 28 4.742 -4.950 5.232 207 HG3 ARG 28 HG3 ARG 28 4.789 -5.461 3.543 208 HD2 ARG 28 HD2 ARG 28 7.263 -5.058 5.230 209 HD3 ARG 28 HD3 ARG 28 6.436 -6.608 5.067 210 HE ARG 28 HE ARG 28 6.889 -5.787 2.493 211 HH11 ARG 28 HH11 ARG 28 8.950 -6.256 5.218 212 HH12 ARG 28 HH12 ARG 28 10.255 -6.846 4.250 213 HH21 ARG 28 HH21 ARG 28 8.584 -6.510 1.279 214 HH22 ARG 28 HH22 ARG 28 10.056 -6.983 2.057 215 H LEU 29 H LEU 29 2.301 -4.067 2.326 216 HA LEU 29 HA LEU 29 0.728 -3.567 4.778 217 HB2 LEU 29 HB2 LEU 29 -0.200 -4.214 1.966 218 HB3 LEU 29 HB3 LEU 29 -1.262 -4.066 3.351 219 HG LEU 29 HG LEU 29 -0.492 -1.660 3.555 220 HD11 LEU 29 HD11 LEU 29 1.569 -1.777 2.293 221 HD12 LEU 29 HD12 LEU 29 0.468 -0.622 1.544 222 HD13 LEU 29 HD13 LEU 29 0.683 -2.224 0.835 223 HD21 LEU 29 HD21 LEU 29 -2.652 -2.228 2.609 224 HD22 LEU 29 HD22 LEU 29 -1.916 -2.497 1.027 225 HD23 LEU 29 HD23 LEU 29 -1.940 -0.877 1.727 226 H LYS 30 H LYS 30 -0.579 -5.328 5.606 227 HA LYS 30 HA LYS 30 0.327 -8.000 4.724 228 HB2 LYS 30 HB2 LYS 30 1.388 -7.474 6.844 229 HB3 LYS 30 HB3 LYS 30 -0.164 -7.054 7.557 230 HG2 LYS 30 HG2 LYS 30 -0.899 -9.329 7.483 231 HG3 LYS 30 HG3 LYS 30 0.500 -9.809 6.525 232 HD2 LYS 30 HD2 LYS 30 0.794 -10.512 8.825 233 HD3 LYS 30 HD3 LYS 30 1.969 -9.260 8.430 234 HE2 LYS 30 HE2 LYS 30 -0.635 -8.689 9.841 235 HE3 LYS 30 HE3 LYS 30 0.854 -9.080 10.696 236 HZ1 LYS 30 HZ1 LYS 30 0.296 -6.706 9.018 237 HZ2 LYS 30 HZ2 LYS 30 1.866 -7.153 9.460 238 HZ3 LYS 30 HZ3 LYS 30 0.732 -6.757 10.647 239 H ASN 31 H ASN 31 -1.250 -9.282 4.050 240 HA ASN 31 HA ASN 31 -4.020 -8.615 4.379 241 HB2 ASN 31 HB2 ASN 31 -3.202 -9.708 2.332 242 HB3 ASN 31 HB3 ASN 31 -2.735 -11.128 3.263 243 HD21 ASN 31 HD21 ASN 31 -4.108 -12.449 2.024 244 HD22 ASN 31 HD22 ASN 31 -5.822 -12.410 2.221 245 H THR 32 H THR 32 -4.666 -8.722 6.495 246 HA THR 32 HA THR 32 -3.949 -10.947 8.195 247 HB THR 32 HB THR 32 -4.258 -8.648 9.106 248 HG1 THR 32 HG1 THR 32 -5.847 -10.776 10.145 249 HG21 THR 32 HG21 THR 32 -6.526 -7.806 9.511 250 HG22 THR 32 HG22 THR 32 -7.197 -9.166 8.609 251 HG23 THR 32 HG23 THR 32 -6.203 -7.964 7.785 252 H SER 33 H SER 33 -6.165 -10.647 5.758 253 HA SER 33 HA SER 33 -8.361 -12.133 6.857 254 HB2 SER 33 HB2 SER 33 -7.592 -11.759 3.945 255 HB3 SER 33 HB3 SER 33 -9.158 -12.300 4.547 256 HG SER 33 HG SER 33 -7.966 -9.746 4.730 257 H GLU 34 H GLU 34 -8.297 -14.245 7.351 258 HA GLU 34 HA GLU 34 -6.153 -15.932 6.382 259 HB2 GLU 34 HB2 GLU 34 -8.480 -16.510 8.232 260 HB3 GLU 34 HB3 GLU 34 -7.177 -17.640 7.881 261 HG2 GLU 34 HG2 GLU 34 -5.558 -16.176 8.890 262 HG3 GLU 34 HG3 GLU 34 -6.772 -14.918 9.113 263 H GLN 35 H GLN 35 -7.194 -15.421 4.128 264 HA GLN 35 HA GLN 35 -8.211 -17.875 3.118 265 HB2 GLN 35 HB2 GLN 35 -10.303 -16.827 4.109 266 HB3 GLN 35 HB3 GLN 35 -10.134 -15.536 2.927 267 HG2 GLN 35 HG2 GLN 35 -10.312 -17.219 1.119 268 HG3 GLN 35 HG3 GLN 35 -10.571 -18.465 2.338 269 HE21 GLN 35 HE21 GLN 35 -12.514 -18.403 3.563 270 HE22 GLN 35 HE22 GLN 35 -13.903 -17.568 2.964 271 H ASP 36 H ASP 36 -8.368 -17.843 0.744 272 HA ASP 36 HA ASP 36 -6.522 -16.105 -0.544 273 HB2 ASP 36 HB2 ASP 36 -8.633 -17.931 -1.732 274 HB3 ASP 36 HB3 ASP 36 -7.335 -17.164 -2.642 275 H GLN 37 H GLN 37 -6.983 -13.954 -0.609 276 HA GLN 37 HA GLN 37 -9.737 -13.118 -1.240 277 HB2 GLN 37 HB2 GLN 37 -7.496 -11.574 0.082 278 HB3 GLN 37 HB3 GLN 37 -9.107 -10.943 -0.237 279 HG2 GLN 37 HG2 GLN 37 -8.446 -13.265 1.570 280 HG3 GLN 37 HG3 GLN 37 -8.844 -11.629 2.088 281 HE21 GLN 37 HE21 GLN 37 -10.983 -10.912 1.908 282 HE22 GLN 37 HE22 GLN 37 -12.297 -12.010 1.697 283 HA PRO 38 HA PRO 38 -8.159 -11.556 -5.185 284 HB2 PRO 38 HB2 PRO 38 -10.905 -10.552 -5.531 285 HB3 PRO 38 HB3 PRO 38 -10.019 -11.733 -6.498 286 HG2 PRO 38 HG2 PRO 38 -12.088 -12.442 -4.915 287 HG3 PRO 38 HG3 PRO 38 -10.702 -13.513 -5.198 288 HD2 PRO 38 HD2 PRO 38 -11.288 -11.754 -2.832 289 HD3 PRO 38 HD3 PRO 38 -10.674 -13.422 -2.870 290 H MET 39 H MET 39 -7.292 -9.583 -5.629 291 HA MET 39 HA MET 39 -7.457 -7.471 -3.756 292 HB2 MET 39 HB2 MET 39 -5.469 -7.910 -5.135 293 HB3 MET 39 HB3 MET 39 -6.360 -7.451 -6.577 294 HG2 MET 39 HG2 MET 39 -5.043 -5.594 -6.070 295 HG3 MET 39 HG3 MET 39 -6.648 -5.168 -5.489 296 HE1 MET 39 HE1 MET 39 -6.277 -5.063 -1.658 297 HE2 MET 39 HE2 MET 39 -7.088 -6.273 -2.652 298 HE3 MET 39 HE3 MET 39 -7.219 -4.563 -3.062 299 H GLY 40 H GLY 40 -9.414 -8.215 -6.485 300 HA2 GLY 40 HA2 GLY 40 -11.301 -7.214 -7.324 301 HA3 GLY 40 HA3 GLY 40 -11.298 -6.191 -5.897 302 H GLY 41 H GLY 41 -10.891 -4.072 -6.176 303 HA2 GLY 41 HA2 GLY 41 -9.151 -3.031 -8.197 304 HA3 GLY 41 HA3 GLY 41 -10.838 -2.816 -8.637 305 H TRP 42 H TRP 42 -8.812 -2.414 -5.734 306 HA TRP 42 HA TRP 42 -10.407 -0.199 -4.783 307 HB2 TRP 42 HB2 TRP 42 -7.772 -1.282 -3.747 308 HB3 TRP 42 HB3 TRP 42 -8.816 -0.140 -2.911 309 HD1 TRP 42 HD1 TRP 42 -11.039 -2.664 -4.382 310 HE1 TRP 42 HE1 TRP 42 -11.658 -4.458 -2.643 311 HE3 TRP 42 HE3 TRP 42 -7.548 -1.572 -0.814 312 HZ2 TRP 42 HZ2 TRP 42 -10.786 -5.294 -0.097 313 HZ3 TRP 42 HZ3 TRP 42 -7.507 -2.914 1.249 314 HH2 TRP 42 HH2 TRP 42 -9.094 -4.736 1.600 315 H GLU 43 H GLU 43 -8.922 1.713 -3.834 316 HA GLU 43 HA GLU 43 -6.880 2.512 -5.781 317 HB2 GLU 43 HB2 GLU 43 -8.953 3.523 -6.600 318 HB3 GLU 43 HB3 GLU 43 -9.245 4.248 -5.024 319 HG2 GLU 43 HG2 GLU 43 -7.326 5.679 -5.262 320 HG3 GLU 43 HG3 GLU 43 -6.855 4.864 -6.754 321 H MET 44 H MET 44 -5.106 3.031 -4.700 322 HA MET 44 HA MET 44 -5.285 3.955 -1.917 323 HB2 MET 44 HB2 MET 44 -3.812 2.068 -2.322 324 HB3 MET 44 HB3 MET 44 -2.946 2.964 -3.560 325 HG2 MET 44 HG2 MET 44 -2.115 4.518 -1.889 326 HG3 MET 44 HG3 MET 44 -3.032 3.684 -0.636 327 HE1 MET 44 HE1 MET 44 0.441 1.692 -2.945 328 HE2 MET 44 HE2 MET 44 -0.100 3.338 -3.266 329 HE3 MET 44 HE3 MET 44 -1.151 1.975 -3.643 330 H ILE 45 H ILE 45 -5.185 6.071 -1.511 331 HA ILE 45 HA ILE 45 -3.981 7.882 -3.508 332 HB ILE 45 HB ILE 45 -5.867 8.527 -1.224 333 HG12 ILE 45 HG12 ILE 45 -6.387 8.334 -4.209 334 HG13 ILE 45 HG13 ILE 45 -6.941 7.185 -2.996 335 HG21 ILE 45 HG21 ILE 45 -4.838 10.268 -3.469 336 HG22 ILE 45 HG22 ILE 45 -4.425 10.411 -1.761 337 HG23 ILE 45 HG23 ILE 45 -6.074 10.734 -2.300 338 HD11 ILE 45 HD11 ILE 45 -8.736 8.650 -3.659 339 HD12 ILE 45 HD12 ILE 45 -7.775 10.066 -3.230 340 HD13 ILE 45 HD13 ILE 45 -8.306 8.948 -1.975 341 H ARG 46 H ARG 46 -2.183 9.077 -3.022 342 HA ARG 46 HA ARG 46 -1.170 8.934 -0.248 343 HB2 ARG 46 HB2 ARG 46 0.238 7.773 -1.931 344 HB3 ARG 46 HB3 ARG 46 0.426 9.292 -2.798 345 HG2 ARG 46 HG2 ARG 46 1.404 10.234 -0.649 346 HG3 ARG 46 HG3 ARG 46 1.460 8.572 -0.068 347 HD2 ARG 46 HD2 ARG 46 2.854 9.659 -2.517 348 HD3 ARG 46 HD3 ARG 46 3.617 9.259 -0.980 349 HE ARG 46 HE ARG 46 2.752 7.424 -3.047 350 HH11 ARG 46 HH11 ARG 46 3.727 7.772 0.240 351 HH12 ARG 46 HH12 ARG 46 4.318 6.159 0.354 352 HH21 ARG 46 HH21 ARG 46 3.532 5.350 -2.895 353 HH22 ARG 46 HH22 ARG 46 4.211 4.795 -1.410 354 H LYS 47 H LYS 47 -0.917 10.784 0.856 355 HA LYS 47 HA LYS 47 -0.671 13.321 -0.650 356 HB2 LYS 47 HB2 LYS 47 -2.087 12.762 1.958 357 HB3 LYS 47 HB3 LYS 47 -1.626 14.389 1.477 358 HG2 LYS 47 HG2 LYS 47 -3.015 14.248 -0.498 359 HG3 LYS 47 HG3 LYS 47 -3.417 12.569 -0.132 360 HD2 LYS 47 HD2 LYS 47 -4.564 13.254 1.900 361 HD3 LYS 47 HD3 LYS 47 -4.083 14.930 1.637 362 HE2 LYS 47 HE2 LYS 47 -5.794 13.362 -0.292 363 HE3 LYS 47 HE3 LYS 47 -6.447 14.384 0.986 364 HZ1 LYS 47 HZ1 LYS 47 -6.296 15.474 -1.224 365 HZ2 LYS 47 HZ2 LYS 47 -4.609 15.372 -1.123 366 HZ3 LYS 47 HZ3 LYS 47 -5.469 16.293 0.002 367 H ILE 48 H ILE 48 1.030 14.626 -0.194 368 HA ILE 48 HA ILE 48 2.598 14.350 2.209 369 HB ILE 48 HB ILE 48 3.478 12.430 1.032 370 HG12 ILE 48 HG12 ILE 48 5.441 14.743 0.898 371 HG13 ILE 48 HG13 ILE 48 5.064 13.803 2.339 372 HG21 ILE 48 HG21 ILE 48 4.110 14.299 -1.256 373 HG22 ILE 48 HG22 ILE 48 2.861 13.051 -1.248 374 HG23 ILE 48 HG23 ILE 48 4.564 12.595 -1.156 375 HD11 ILE 48 HD11 ILE 48 6.366 12.753 -0.165 376 HD12 ILE 48 HD12 ILE 48 5.988 11.808 1.276 377 HD13 ILE 48 HD13 ILE 48 7.170 13.112 1.362 378 H GLY 49 H GLY 49 2.464 15.660 -1.102 379 HA2 GLY 49 HA2 GLY 49 3.125 18.299 -0.147 380 HA3 GLY 49 HA3 GLY 49 4.417 17.562 -1.075 381 H ASP 50 H ASP 50 1.220 18.931 -1.184 382 HA ASP 50 HA ASP 50 0.014 19.899 -2.845 383 HB2 ASP 50 HB2 ASP 50 2.700 19.893 -4.245 384 HB3 ASP 50 HB3 ASP 50 1.289 20.790 -4.798 385 H THR 51 H THR 51 0.275 16.931 -2.806 386 HA THR 51 HA THR 51 -0.764 16.404 -5.492 387 HB THR 51 HB THR 51 1.626 15.896 -5.701 388 HG1 THR 51 HG1 THR 51 1.350 13.859 -6.575 389 HG21 THR 51 HG21 THR 51 2.635 14.057 -4.419 390 HG22 THR 51 HG22 THR 51 1.157 13.912 -3.467 391 HG23 THR 51 HG23 THR 51 2.131 15.379 -3.364 392 H SER 52 H SER 52 -2.249 14.781 -5.602 393 HA SER 52 HA SER 52 -2.703 13.131 -3.186 394 HB2 SER 52 HB2 SER 52 -5.090 13.104 -3.712 395 HB3 SER 52 HB3 SER 52 -4.535 14.772 -3.576 396 HG SER 52 HG SER 52 -5.770 14.644 -5.406 397 H VAL 53 H VAL 53 -0.960 12.530 -5.387 398 HA VAL 53 HA VAL 53 -1.871 11.023 -7.470 399 HB VAL 53 HB VAL 53 0.485 11.547 -7.173 400 HG11 VAL 53 HG11 VAL 53 0.483 9.493 -4.956 401 HG12 VAL 53 HG12 VAL 53 0.676 11.237 -4.765 402 HG13 VAL 53 HG13 VAL 53 1.908 10.301 -5.612 403 HG21 VAL 53 HG21 VAL 53 1.470 9.425 -7.899 404 HG22 VAL 53 HG22 VAL 53 -0.088 9.706 -8.677 405 HG23 VAL 53 HG23 VAL 53 0.038 8.562 -7.341 406 H SER 54 H SER 54 -3.007 9.203 -7.711 407 HA SER 54 HA SER 54 -3.257 7.367 -5.411 408 HB2 SER 54 HB2 SER 54 -5.573 6.894 -6.226 409 HB3 SER 54 HB3 SER 54 -5.339 8.563 -5.713 410 HG SER 54 HG SER 54 -6.336 7.825 -7.962 411 H TYR 55 H TYR 55 -3.929 5.147 -5.988 412 HA TYR 55 HA TYR 55 -2.985 4.253 -8.623 413 HB2 TYR 55 HB2 TYR 55 -1.060 3.991 -7.212 414 HB3 TYR 55 HB3 TYR 55 -2.017 3.231 -5.948 415 HD1 TYR 55 HD1 TYR 55 -1.107 2.710 -9.550 416 HD2 TYR 55 HD2 TYR 55 -1.958 0.915 -5.781 417 HE1 TYR 55 HE1 TYR 55 -0.574 0.498 -10.486 418 HE2 TYR 55 HE2 TYR 55 -1.425 -1.297 -6.707 419 HH TYR 55 HH TYR 55 -1.272 -2.431 -8.808 420 H LYS 56 H LYS 56 -4.727 3.327 -9.481 421 HA LYS 56 HA LYS 56 -6.678 1.837 -8.027 422 HB2 LYS 56 HB2 LYS 56 -7.375 2.880 -10.052 423 HB3 LYS 56 HB3 LYS 56 -6.079 2.134 -10.973 424 HG2 LYS 56 HG2 LYS 56 -7.138 -0.041 -10.766 425 HG3 LYS 56 HG3 LYS 56 -8.402 0.647 -9.741 426 HD2 LYS 56 HD2 LYS 56 -9.285 1.928 -11.537 427 HD3 LYS 56 HD3 LYS 56 -7.874 1.622 -12.547 428 HE2 LYS 56 HE2 LYS 56 -9.840 0.308 -13.243 429 HE3 LYS 56 HE3 LYS 56 -8.483 -0.708 -12.765 430 HZ1 LYS 56 HZ1 LYS 56 -10.714 -0.039 -10.934 431 HZ2 LYS 56 HZ2 LYS 56 -9.527 -1.230 -10.735 432 HZ3 LYS 56 HZ3 LYS 56 -10.712 -1.409 -11.926 433 H TYR 57 H TYR 57 -6.392 -0.120 -7.185 434 HA TYR 57 HA TYR 57 -4.185 -1.805 -7.860 435 HB2 TYR 57 HB2 TYR 57 -6.556 -2.111 -6.031 436 HB3 TYR 57 HB3 TYR 57 -5.464 -3.460 -6.325 437 HD1 TYR 57 HD1 TYR 57 -3.118 -3.348 -5.584 438 HD2 TYR 57 HD2 TYR 57 -5.882 -0.241 -4.651 439 HE1 TYR 57 HE1 TYR 57 -1.583 -2.505 -3.862 440 HE2 TYR 57 HE2 TYR 57 -4.351 0.603 -2.923 441 HH TYR 57 HH TYR 57 -2.503 -0.181 -1.545 442 H THR 58 H THR 58 -4.407 -4.123 -8.421 443 HA THR 58 HA THR 58 -6.620 -4.642 -10.310 444 HB THR 58 HB THR 58 -4.839 -4.158 -11.783 445 HG1 THR 58 HG1 THR 58 -5.163 -5.965 -12.832 446 HG21 THR 58 HG21 THR 58 -3.049 -5.894 -10.070 447 HG22 THR 58 HG22 THR 58 -3.003 -4.132 -10.163 448 HG23 THR 58 HG23 THR 58 -2.580 -5.102 -11.573 449 H SER 59 H SER 59 -7.553 -6.602 -10.163 450 HA SER 59 HA SER 59 -6.629 -8.442 -8.103 451 HB2 SER 59 HB2 SER 59 -9.055 -7.822 -8.398 452 HB3 SER 59 HB3 SER 59 -9.042 -8.718 -9.916 453 HG SER 59 HG SER 59 -8.561 -10.597 -8.762 454 H ARG 60 H ARG 60 -4.956 -8.207 -10.454 455 HA ARG 60 HA ARG 60 -5.289 -10.254 -12.321 456 HB2 ARG 60 HB2 ARG 60 -2.896 -10.001 -12.800 457 HB3 ARG 60 HB3 ARG 60 -3.682 -8.437 -12.623 458 HG2 ARG 60 HG2 ARG 60 -2.785 -8.240 -10.353 459 HG3 ARG 60 HG3 ARG 60 -2.005 -9.813 -10.524 460 HD2 ARG 60 HD2 ARG 60 -1.422 -7.323 -12.134 461 HD3 ARG 60 HD3 ARG 60 -0.390 -8.043 -10.899 462 HE ARG 60 HE ARG 60 -1.048 -9.425 -13.424 463 HH11 ARG 60 HH11 ARG 60 1.254 -8.445 -11.047 464 HH12 ARG 60 HH12 ARG 60 2.567 -9.227 -11.853 465 HH21 ARG 60 HH21 ARG 60 0.648 -10.413 -14.436 466 HH22 ARG 60 HH22 ARG 60 2.233 -10.319 -13.744 467 H TYR 61 H TYR 61 -4.236 -10.467 -9.012 468 HA TYR 61 HA TYR 61 -4.192 -13.377 -9.286 469 HB2 TYR 61 HB2 TYR 61 -2.174 -13.650 -7.950 470 HB3 TYR 61 HB3 TYR 61 -1.818 -12.694 -9.382 471 HD1 TYR 61 HD1 TYR 61 -1.461 -10.225 -9.149 472 HD2 TYR 61 HD2 TYR 61 -1.843 -12.761 -5.754 473 HE1 TYR 61 HE1 TYR 61 -0.459 -8.482 -7.742 474 HE2 TYR 61 HE2 TYR 61 -0.836 -11.020 -4.336 475 HH TYR 61 HH TYR 61 0.734 -9.032 -4.694 476 H VAL 62 H VAL 62 -4.768 -14.514 -7.400 477 HA VAL 62 HA VAL 62 -6.303 -12.955 -5.474 478 HB VAL 62 HB VAL 62 -5.997 -15.964 -5.698 479 HG11 VAL 62 HG11 VAL 62 -8.028 -16.055 -4.322 480 HG12 VAL 62 HG12 VAL 62 -8.007 -14.298 -4.175 481 HG13 VAL 62 HG13 VAL 62 -6.704 -15.259 -3.473 482 HG21 VAL 62 HG21 VAL 62 -8.209 -15.909 -6.786 483 HG22 VAL 62 HG22 VAL 62 -6.992 -15.042 -7.721 484 HG23 VAL 62 HG23 VAL 62 -8.167 -14.145 -6.761 485 H LEU 63 H LEU 63 -5.393 -12.244 -3.637 486 HA LEU 63 HA LEU 63 -2.714 -12.918 -2.974 487 HB2 LEU 63 HB2 LEU 63 -3.756 -10.679 -2.646 488 HB3 LEU 63 HB3 LEU 63 -4.703 -11.349 -1.331 489 HG LEU 63 HG LEU 63 -2.643 -11.811 -0.067 490 HD11 LEU 63 HD11 LEU 63 -1.101 -12.177 -1.912 491 HD12 LEU 63 HD12 LEU 63 -0.494 -10.906 -0.851 492 HD13 LEU 63 HD13 LEU 63 -1.243 -10.485 -2.393 493 HD21 LEU 63 HD21 LEU 63 -2.042 -9.500 0.438 494 HD22 LEU 63 HD22 LEU 63 -3.788 -9.672 0.247 495 HD23 LEU 63 HD23 LEU 63 -2.822 -8.960 -1.050 496 H LYS 64 H LYS 64 -1.855 -14.187 -1.404 497 HA LYS 64 HA LYS 64 -3.454 -16.312 -0.362 498 HB2 LYS 64 HB2 LYS 64 -0.567 -15.612 0.235 499 HB3 LYS 64 HB3 LYS 64 -1.347 -17.147 0.595 500 HG2 LYS 64 HG2 LYS 64 -1.703 -17.488 -1.840 501 HG3 LYS 64 HG3 LYS 64 -0.810 -15.997 -2.146 502 HD2 LYS 64 HD2 LYS 64 0.274 -18.470 -0.781 503 HD3 LYS 64 HD3 LYS 64 0.621 -17.961 -2.435 504 HE2 LYS 64 HE2 LYS 64 1.641 -15.889 -1.558 505 HE3 LYS 64 HE3 LYS 64 1.336 -16.453 0.084 506 HZ1 LYS 64 HZ1 LYS 64 3.593 -16.919 -0.521 507 HZ2 LYS 64 HZ2 LYS 64 3.108 -17.739 -1.919 508 HZ3 LYS 64 HZ3 LYS 64 2.756 -18.382 -0.396 509 H ALA 65 H ALA 65 -3.497 -16.983 1.907 510 HA ALA 65 HA ALA 65 -4.429 -14.898 3.610 511 HB1 ALA 65 HB1 ALA 65 -4.804 -16.672 5.238 512 HB2 ALA 65 HB2 ALA 65 -3.839 -17.785 4.271 513 HB3 ALA 65 HB3 ALA 65 -5.364 -17.164 3.641 514 H GLY 66 H GLY 66 -3.389 -13.731 5.144 515 HA2 GLY 66 HA2 GLY 66 -1.777 -13.047 6.643 516 HA3 GLY 66 HA3 GLY 66 -1.173 -14.694 6.648 517 H GLN 67 H GLN 67 -1.337 -13.093 3.592 518 HA GLN 67 HA GLN 67 1.542 -13.276 3.332 519 HB2 GLN 67 HB2 GLN 67 0.079 -14.017 1.505 520 HB3 GLN 67 HB3 GLN 67 -0.579 -12.395 1.360 521 HG2 GLN 67 HG2 GLN 67 0.930 -12.470 -0.376 522 HG3 GLN 67 HG3 GLN 67 1.864 -11.687 0.891 523 HE21 GLN 67 HE21 GLN 67 2.308 -14.261 2.319 524 HE22 GLN 67 HE22 GLN 67 3.489 -15.091 1.383 525 H THR 68 H THR 68 2.981 -11.642 3.301 526 HA THR 68 HA THR 68 2.043 -8.906 3.797 527 HB THR 68 HB THR 68 4.474 -8.436 4.280 528 HG1 THR 68 HG1 THR 68 5.935 -9.971 4.018 529 HG21 THR 68 HG21 THR 68 3.201 -10.664 5.885 530 HG22 THR 68 HG22 THR 68 2.924 -8.935 6.104 531 HG23 THR 68 HG23 THR 68 4.513 -9.623 6.436 532 H VAL 69 H VAL 69 1.693 -7.725 2.010 533 HA VAL 69 HA VAL 69 3.304 -8.212 -0.395 534 HB VAL 69 HB VAL 69 0.888 -8.291 -0.712 535 HG11 VAL 69 HG11 VAL 69 0.845 -5.407 0.185 536 HG12 VAL 69 HG12 VAL 69 0.213 -6.781 1.092 537 HG13 VAL 69 HG13 VAL 69 -0.526 -6.322 -0.442 538 HG21 VAL 69 HG21 VAL 69 0.699 -6.703 -2.585 539 HG22 VAL 69 HG22 VAL 69 2.256 -7.534 -2.579 540 HG23 VAL 69 HG23 VAL 69 2.145 -5.867 -2.015 541 H THR 70 H THR 70 4.676 -6.753 -1.235 542 HA THR 70 HA THR 70 5.080 -4.242 0.259 543 HB THR 70 HB THR 70 7.021 -5.697 -1.563 544 HG1 THR 70 HG1 THR 70 6.910 -6.920 0.244 545 HG21 THR 70 HG21 THR 70 8.706 -4.183 -0.597 546 HG22 THR 70 HG22 THR 70 7.436 -3.339 0.290 547 HG23 THR 70 HG23 THR 70 7.463 -3.293 -1.473 548 H ILE 71 H ILE 71 4.114 -2.548 -0.714 549 HA ILE 71 HA ILE 71 3.811 -2.376 -3.581 550 HB ILE 71 HB ILE 71 3.280 -0.266 -1.469 551 HG12 ILE 71 HG12 ILE 71 1.886 -2.238 -1.091 552 HG13 ILE 71 HG13 ILE 71 0.896 -0.927 -1.721 553 HG21 ILE 71 HG21 ILE 71 1.880 0.804 -3.189 554 HG22 ILE 71 HG22 ILE 71 2.404 -0.408 -4.359 555 HG23 ILE 71 HG23 ILE 71 3.574 0.719 -3.672 556 HD11 ILE 71 HD11 ILE 71 0.937 -1.952 -3.931 557 HD12 ILE 71 HD12 ILE 71 0.303 -3.063 -2.717 558 HD13 ILE 71 HD13 ILE 71 1.952 -3.256 -3.314 559 H TRP 72 H TRP 72 5.713 -2.167 -4.635 560 HA TRP 72 HA TRP 72 7.894 -0.558 -3.660 561 HB2 TRP 72 HB2 TRP 72 7.477 -1.901 -6.345 562 HB3 TRP 72 HB3 TRP 72 8.981 -1.167 -5.804 563 HD1 TRP 72 HD1 TRP 72 6.693 -4.180 -5.013 564 HE1 TRP 72 HE1 TRP 72 8.129 -5.999 -3.890 565 HE3 TRP 72 HE3 TRP 72 11.086 -1.594 -4.561 566 HZ2 TRP 72 HZ2 TRP 72 10.760 -6.300 -2.944 567 HZ3 TRP 72 HZ3 TRP 72 13.016 -2.728 -3.535 568 HH2 TRP 72 HH2 TRP 72 12.853 -5.032 -2.744 569 H ALA 73 H ALA 73 8.909 1.151 -5.051 570 HA ALA 73 HA ALA 73 6.877 2.842 -6.357 571 HB1 ALA 73 HB1 ALA 73 8.138 3.861 -4.490 572 HB2 ALA 73 HB2 ALA 73 8.406 4.701 -6.020 573 HB3 ALA 73 HB3 ALA 73 9.638 3.608 -5.385 574 H ALA 74 H ALA 74 8.004 4.287 -8.166 575 HA ALA 74 HA ALA 74 8.634 2.714 -10.369 576 HB1 ALA 74 HB1 ALA 74 9.382 5.597 -9.874 577 HB2 ALA 74 HB2 ALA 74 7.871 5.012 -10.571 578 HB3 ALA 74 HB3 ALA 74 9.388 4.794 -11.445 579 H ASN 75 H ASN 75 10.718 3.758 -7.810 580 HA ASN 75 HA ASN 75 13.174 3.184 -9.271 581 HB2 ASN 75 HB2 ASN 75 12.728 3.989 -6.383 582 HB3 ASN 75 HB3 ASN 75 14.296 3.865 -7.177 583 HD21 ASN 75 HD21 ASN 75 14.898 5.424 -8.664 584 HD22 ASN 75 HD22 ASN 75 14.047 6.920 -8.826 585 H ALA 76 H ALA 76 11.078 1.078 -8.474 586 HA ALA 76 HA ALA 76 12.042 -0.611 -6.481 587 HB1 ALA 76 HB1 ALA 76 10.569 -1.417 -8.987 588 HB2 ALA 76 HB2 ALA 76 9.825 -0.812 -7.506 589 HB3 ALA 76 HB3 ALA 76 10.688 -2.350 -7.494 590 H GLY 77 H GLY 77 13.068 -0.367 -9.856 591 HA2 GLY 77 HA2 GLY 77 15.051 -1.134 -10.793 592 HA3 GLY 77 HA3 GLY 77 15.435 -1.934 -9.278 593 H VAL 78 H VAL 78 13.158 -3.551 -9.012 594 HA VAL 78 HA VAL 78 13.739 -5.682 -10.834 595 HB VAL 78 HB VAL 78 11.995 -6.936 -9.639 596 HG11 VAL 78 HG11 VAL 78 13.038 -6.934 -7.418 597 HG12 VAL 78 HG12 VAL 78 13.833 -5.405 -7.790 598 HG13 VAL 78 HG13 VAL 78 14.249 -6.856 -8.698 599 HG21 VAL 78 HG21 VAL 78 10.772 -5.928 -7.771 600 HG22 VAL 78 HG22 VAL 78 10.398 -5.106 -9.287 601 HG23 VAL 78 HG23 VAL 78 11.499 -4.360 -8.126 602 H THR 79 H THR 79 11.609 -6.942 -11.641 603 HA THR 79 HA THR 79 10.468 -5.275 -13.691 604 HB THR 79 HB THR 79 9.324 -7.294 -14.472 605 HG1 THR 79 HG1 THR 79 10.065 -9.276 -13.111 606 HG21 THR 79 HG21 THR 79 11.683 -6.981 -15.089 607 HG22 THR 79 HG22 THR 79 11.282 -8.691 -14.933 608 HG23 THR 79 HG23 THR 79 12.179 -7.876 -13.652 609 H ALA 80 H ALA 80 8.118 -5.210 -14.133 610 HA ALA 80 HA ALA 80 6.758 -4.174 -11.839 611 HB1 ALA 80 HB1 ALA 80 4.974 -3.605 -13.397 612 HB2 ALA 80 HB2 ALA 80 5.731 -4.600 -14.644 613 HB3 ALA 80 HB3 ALA 80 6.550 -3.154 -14.051 614 H SER 81 H SER 81 7.146 -7.321 -12.628 615 HA SER 81 HA SER 81 4.676 -8.081 -11.258 616 HB2 SER 81 HB2 SER 81 4.132 -8.237 -13.664 617 HB3 SER 81 HB3 SER 81 5.486 -9.340 -13.896 618 HG SER 81 HG SER 81 4.381 -10.921 -13.010 619 HA PRO 82 HA PRO 82 8.269 -10.348 -9.405 620 HB2 PRO 82 HB2 PRO 82 6.220 -10.404 -7.233 621 HB3 PRO 82 HB3 PRO 82 7.959 -10.084 -7.142 622 HG2 PRO 82 HG2 PRO 82 6.234 -8.075 -6.978 623 HG3 PRO 82 HG3 PRO 82 7.730 -7.894 -7.915 624 HD2 PRO 82 HD2 PRO 82 4.929 -8.370 -8.883 625 HD3 PRO 82 HD3 PRO 82 6.191 -7.315 -9.555 626 HA PRO 83 HA PRO 83 4.547 -10.254 -9.580 627 HB2 PRO 83 HB2 PRO 83 2.281 -11.572 -9.947 628 HB3 PRO 83 HB3 PRO 83 3.526 -11.587 -11.205 629 HG2 PRO 83 HG2 PRO 83 2.750 -13.728 -9.285 630 HG3 PRO 83 HG3 PRO 83 3.367 -13.868 -10.939 631 HD2 PRO 83 HD2 PRO 83 4.855 -14.056 -8.494 632 HD3 PRO 83 HD3 PRO 83 5.482 -14.125 -10.152 633 H THR 84 H THR 84 5.307 -11.894 -6.983 634 HA THR 84 HA THR 84 3.060 -12.099 -5.325 635 HB THR 84 HB THR 84 4.677 -11.888 -3.418 636 HG1 THR 84 HG1 THR 84 6.366 -10.678 -3.932 637 HG21 THR 84 HG21 THR 84 5.546 -13.709 -5.675 638 HG22 THR 84 HG22 THR 84 4.309 -14.069 -4.472 639 HG23 THR 84 HG23 THR 84 5.992 -13.894 -3.981 640 H ASP 85 H ASP 85 5.329 -9.388 -5.696 641 HA ASP 85 HA ASP 85 3.593 -7.672 -4.068 642 HB2 ASP 85 HB2 ASP 85 6.335 -7.060 -5.192 643 HB3 ASP 85 HB3 ASP 85 5.473 -6.170 -3.940 644 H LEU 86 H LEU 86 3.760 -5.235 -4.905 645 HA LEU 86 HA LEU 86 3.210 -5.166 -7.806 646 HB2 LEU 86 HB2 LEU 86 1.610 -3.808 -5.625 647 HB3 LEU 86 HB3 LEU 86 1.422 -3.475 -7.337 648 HG LEU 86 HG LEU 86 0.890 -6.145 -6.008 649 HD11 LEU 86 HD11 LEU 86 -1.039 -4.086 -7.083 650 HD12 LEU 86 HD12 LEU 86 -0.753 -4.447 -5.380 651 HD13 LEU 86 HD13 LEU 86 -1.463 -5.670 -6.431 652 HD21 LEU 86 HD21 LEU 86 1.642 -6.409 -8.315 653 HD22 LEU 86 HD22 LEU 86 0.436 -5.239 -8.857 654 HD23 LEU 86 HD23 LEU 86 -0.076 -6.783 -8.175 655 H ILE 87 H ILE 87 4.292 -3.620 -8.884 656 HA ILE 87 HA ILE 87 5.841 -1.667 -7.340 657 HB ILE 87 HB ILE 87 6.070 -2.518 -10.241 658 HG12 ILE 87 HG12 ILE 87 8.344 -3.318 -9.474 659 HG13 ILE 87 HG13 ILE 87 7.840 -2.990 -7.823 660 HG21 ILE 87 HG21 ILE 87 8.072 -1.105 -10.360 661 HG22 ILE 87 HG22 ILE 87 7.750 -0.507 -8.732 662 HG23 ILE 87 HG23 ILE 87 6.624 -0.151 -10.041 663 HD11 ILE 87 HD11 ILE 87 7.654 -5.347 -8.383 664 HD12 ILE 87 HD12 ILE 87 6.547 -4.957 -9.698 665 HD13 ILE 87 HD13 ILE 87 6.074 -4.649 -8.028 666 H TRP 88 H TRP 88 4.780 0.195 -6.974 667 HA TRP 88 HA TRP 88 2.818 1.287 -8.760 668 HB2 TRP 88 HB2 TRP 88 2.837 1.596 -6.252 669 HB3 TRP 88 HB3 TRP 88 4.207 2.680 -6.450 670 HD1 TRP 88 HD1 TRP 88 1.950 3.372 -9.253 671 HE1 TRP 88 HE1 TRP 88 0.456 5.407 -8.755 672 HE3 TRP 88 HE3 TRP 88 2.751 3.772 -4.219 673 HZ2 TRP 88 HZ2 TRP 88 -0.285 6.971 -6.544 674 HZ3 TRP 88 HZ3 TRP 88 1.604 5.570 -2.987 675 HH2 TRP 88 HH2 TRP 88 0.118 7.135 -4.127 676 H LYS 89 H LYS 89 3.874 1.547 -10.748 677 HA LYS 89 HA LYS 89 6.392 2.863 -11.020 678 HB2 LYS 89 HB2 LYS 89 4.301 2.229 -13.115 679 HB3 LYS 89 HB3 LYS 89 5.959 2.717 -13.443 680 HG2 LYS 89 HG2 LYS 89 6.794 0.688 -12.388 681 HG3 LYS 89 HG3 LYS 89 5.147 0.209 -11.973 682 HD2 LYS 89 HD2 LYS 89 5.901 -0.983 -13.958 683 HD3 LYS 89 HD3 LYS 89 4.578 0.111 -14.364 684 HE2 LYS 89 HE2 LYS 89 6.239 1.765 -15.167 685 HE3 LYS 89 HE3 LYS 89 7.522 0.600 -14.842 686 HZ1 LYS 89 HZ1 LYS 89 6.894 0.568 -17.159 687 HZ2 LYS 89 HZ2 LYS 89 5.286 0.241 -16.760 688 HZ3 LYS 89 HZ3 LYS 89 6.486 -0.905 -16.440 689 H ASN 90 H ASN 90 3.185 4.051 -10.765 690 HA ASN 90 HA ASN 90 3.402 6.352 -12.420 691 HB2 ASN 90 HB2 ASN 90 1.555 5.990 -10.051 692 HB3 ASN 90 HB3 ASN 90 1.325 7.069 -11.423 693 HD21 ASN 90 HD21 ASN 90 0.747 6.166 -13.444 694 HD22 ASN 90 HD22 ASN 90 0.088 4.575 -13.559 695 H GLN 91 H GLN 91 4.818 5.701 -9.387 696 HA GLN 91 HA GLN 91 5.532 8.527 -9.083 697 HB2 GLN 91 HB2 GLN 91 3.562 8.177 -7.644 698 HB3 GLN 91 HB3 GLN 91 4.397 6.870 -6.815 699 HG2 GLN 91 HG2 GLN 91 6.066 8.441 -5.980 700 HG3 GLN 91 HG3 GLN 91 5.284 9.755 -6.858 701 HE21 GLN 91 HE21 GLN 91 4.875 10.936 -5.018 702 HE22 GLN 91 HE22 GLN 91 3.689 10.472 -3.859 703 H ASN 92 H ASN 92 7.539 8.904 -8.223 704 HA ASN 92 HA ASN 92 9.315 6.610 -7.899 705 HB2 ASN 92 HB2 ASN 92 9.844 9.587 -8.053 706 HB3 ASN 92 HB3 ASN 92 11.105 8.376 -7.841 707 HD21 ASN 92 HD21 ASN 92 11.613 7.009 -9.541 708 HD22 ASN 92 HD22 ASN 92 11.111 7.330 -11.165 709 H SER 93 H SER 93 11.242 7.380 -6.187 710 HA SER 93 HA SER 93 10.188 6.908 -3.624 711 HB2 SER 93 HB2 SER 93 12.444 7.382 -2.776 712 HB3 SER 93 HB3 SER 93 12.523 6.390 -4.230 713 HG SER 93 HG SER 93 13.673 8.738 -3.773 714 H TRP 94 H TRP 94 9.436 8.205 -2.042 715 HA TRP 94 HA TRP 94 9.001 11.019 -2.796 716 HB2 TRP 94 HB2 TRP 94 7.031 10.855 -1.249 717 HB3 TRP 94 HB3 TRP 94 6.973 9.748 -2.619 718 HD1 TRP 94 HD1 TRP 94 7.280 9.794 1.182 719 HE1 TRP 94 HE1 TRP 94 7.020 7.398 2.075 720 HE3 TRP 94 HE3 TRP 94 7.315 7.267 -3.264 721 HZ2 TRP 94 HZ2 TRP 94 6.834 4.781 1.035 722 HZ3 TRP 94 HZ3 TRP 94 7.091 4.815 -3.227 723 HH2 TRP 94 HH2 TRP 94 6.856 3.602 -1.117 724 H GLY 95 H GLY 95 11.060 9.455 -0.760 725 HA2 GLY 95 HA2 GLY 95 12.487 10.446 0.797 726 HA3 GLY 95 HA3 GLY 95 11.454 11.861 0.818 727 H THR 96 H THR 96 9.023 10.752 1.620 728 HA THR 96 HA THR 96 7.814 9.850 3.334 729 HB THR 96 HB THR 96 10.418 8.473 3.889 730 HG1 THR 96 HG1 THR 96 9.051 6.643 3.512 731 HG21 THR 96 HG21 THR 96 9.364 7.244 5.756 732 HG22 THR 96 HG22 THR 96 8.000 8.360 5.698 733 HG23 THR 96 HG23 THR 96 9.606 8.950 6.127 734 H GLY 97 H GLY 97 10.766 11.573 4.167 735 HA2 GLY 97 HA2 GLY 97 10.465 11.925 6.896 736 HA3 GLY 97 HA3 GLY 97 11.265 13.064 5.834 737 H GLU 98 H GLU 98 8.572 13.479 4.418 738 HA GLU 98 HA GLU 98 7.745 15.693 6.086 739 HB2 GLU 98 HB2 GLU 98 6.958 14.744 3.338 740 HB3 GLU 98 HB3 GLU 98 6.125 16.074 4.127 741 HG2 GLU 98 HG2 GLU 98 9.092 16.009 3.599 742 HG3 GLU 98 HG3 GLU 98 7.905 16.769 2.539 743 H ASP 99 H ASP 99 7.054 12.754 6.781 744 HA ASP 99 HA ASP 99 5.338 11.541 7.649 745 HB2 ASP 99 HB2 ASP 99 5.129 13.515 9.132 746 HB3 ASP 99 HB3 ASP 99 4.035 14.262 7.975 747 H VAL 100 H VAL 100 5.093 10.682 5.455 748 HA VAL 100 HA VAL 100 3.062 11.838 3.743 749 HB VAL 100 HB VAL 100 5.010 10.920 2.663 750 HG11 VAL 100 HG11 VAL 100 5.666 9.252 4.299 751 HG12 VAL 100 HG12 VAL 100 5.540 8.524 2.699 752 HG13 VAL 100 HG13 VAL 100 4.262 8.266 3.888 753 HG21 VAL 100 HG21 VAL 100 3.964 9.423 1.032 754 HG22 VAL 100 HG22 VAL 100 2.907 10.776 1.433 755 HG23 VAL 100 HG23 VAL 100 2.598 9.183 2.121 756 H LYS 101 H LYS 101 0.968 11.395 3.828 757 HA LYS 101 HA LYS 101 0.064 9.139 5.461 758 HB2 LYS 101 HB2 LYS 101 -0.827 11.335 6.029 759 HB3 LYS 101 HB3 LYS 101 -1.446 11.532 4.394 760 HG2 LYS 101 HG2 LYS 101 -3.036 9.752 4.719 761 HG3 LYS 101 HG3 LYS 101 -2.342 9.364 6.295 762 HD2 LYS 101 HD2 LYS 101 -4.434 10.666 6.479 763 HD3 LYS 101 HD3 LYS 101 -3.055 11.513 7.180 764 HE2 LYS 101 HE2 LYS 101 -2.862 12.877 5.148 765 HE3 LYS 101 HE3 LYS 101 -4.225 12.013 4.437 766 HZ1 LYS 101 HZ1 LYS 101 -5.661 12.878 6.127 767 HZ2 LYS 101 HZ2 LYS 101 -4.843 14.169 5.403 768 HZ3 LYS 101 HZ3 LYS 101 -4.373 13.617 6.933 769 H VAL 102 H VAL 102 -0.615 7.329 4.573 770 HA VAL 102 HA VAL 102 -1.394 7.264 1.740 771 HB VAL 102 HB VAL 102 -0.703 4.979 3.607 772 HG11 VAL 102 HG11 VAL 102 -2.219 4.282 1.817 773 HG12 VAL 102 HG12 VAL 102 -0.610 3.602 1.578 774 HG13 VAL 102 HG13 VAL 102 -1.135 4.981 0.613 775 HG21 VAL 102 HG21 VAL 102 1.223 6.414 3.164 776 HG22 VAL 102 HG22 VAL 102 0.945 6.273 1.428 777 HG23 VAL 102 HG23 VAL 102 1.408 4.852 2.366 778 H ILE 103 H ILE 103 -3.430 6.800 1.110 779 HA ILE 103 HA ILE 103 -5.447 6.192 3.184 780 HB ILE 103 HB ILE 103 -5.888 7.552 0.514 781 HG12 ILE 103 HG12 ILE 103 -4.512 8.975 1.967 782 HG13 ILE 103 HG13 ILE 103 -6.125 9.650 1.785 783 HG21 ILE 103 HG21 ILE 103 -7.715 7.185 2.893 784 HG22 ILE 103 HG22 ILE 103 -7.875 6.422 1.310 785 HG23 ILE 103 HG23 ILE 103 -8.082 8.165 1.473 786 HD11 ILE 103 HD11 ILE 103 -6.728 8.756 3.990 787 HD12 ILE 103 HD12 ILE 103 -5.358 9.865 4.065 788 HD13 ILE 103 HD13 ILE 103 -5.089 8.126 4.165 789 H LEU 104 H LEU 104 -6.289 4.181 3.078 790 HA LEU 104 HA LEU 104 -6.293 2.748 0.498 791 HB2 LEU 104 HB2 LEU 104 -6.690 1.722 3.314 792 HB3 LEU 104 HB3 LEU 104 -6.730 0.727 1.869 793 HG LEU 104 HG LEU 104 -4.324 2.232 2.922 794 HD11 LEU 104 HD11 LEU 104 -3.418 0.012 3.374 795 HD12 LEU 104 HD12 LEU 104 -4.921 -0.726 2.819 796 HD13 LEU 104 HD13 LEU 104 -4.913 0.280 4.270 797 HD21 LEU 104 HD21 LEU 104 -4.318 2.133 0.475 798 HD22 LEU 104 HD22 LEU 104 -4.567 0.387 0.540 799 HD23 LEU 104 HD23 LEU 104 -3.072 1.089 1.159 800 H LYS 105 H LYS 105 -8.154 3.038 -0.621 801 HA LYS 105 HA LYS 105 -10.697 2.779 0.862 802 HB2 LYS 105 HB2 LYS 105 -10.012 4.620 -1.427 803 HB3 LYS 105 HB3 LYS 105 -11.676 4.223 -1.013 804 HG2 LYS 105 HG2 LYS 105 -11.319 5.113 1.248 805 HG3 LYS 105 HG3 LYS 105 -9.664 5.540 0.810 806 HD2 LYS 105 HD2 LYS 105 -10.429 7.143 -0.799 807 HD3 LYS 105 HD3 LYS 105 -12.098 6.586 -0.644 808 HE2 LYS 105 HE2 LYS 105 -12.179 7.394 1.649 809 HE3 LYS 105 HE3 LYS 105 -10.486 7.885 1.557 810 HZ1 LYS 105 HZ1 LYS 105 -11.013 9.561 0.007 811 HZ2 LYS 105 HZ2 LYS 105 -12.164 9.694 1.235 812 HZ3 LYS 105 HZ3 LYS 105 -12.576 8.973 -0.236 813 H ASN 106 H ASN 106 -12.280 1.511 0.052 814 HA ASN 106 HA ASN 106 -11.540 -0.514 -1.857 815 HB2 ASN 106 HB2 ASN 106 -14.261 -0.030 -0.615 816 HB3 ASN 106 HB3 ASN 106 -13.671 -1.525 -1.332 817 HD21 ASN 106 HD21 ASN 106 -12.248 -2.810 -0.164 818 HD22 ASN 106 HD22 ASN 106 -11.975 -2.578 1.521 819 H SER 107 H SER 107 -13.257 -1.146 -3.577 820 HA SER 107 HA SER 107 -13.420 0.814 -5.556 821 HB2 SER 107 HB2 SER 107 -15.172 -1.645 -5.261 822 HB3 SER 107 HB3 SER 107 -14.913 -0.729 -6.748 823 HG SER 107 HG SER 107 -12.795 -1.387 -6.777 824 H GLN 108 H GLN 108 -15.512 0.278 -2.858 825 HA GLN 108 HA GLN 108 -17.832 1.578 -3.954 826 HB2 GLN 108 HB2 GLN 108 -17.134 0.846 -1.101 827 HB3 GLN 108 HB3 GLN 108 -18.701 1.447 -1.626 828 HG2 GLN 108 HG2 GLN 108 -18.931 -0.525 -3.096 829 HG3 GLN 108 HG3 GLN 108 -17.397 -1.135 -2.471 830 HE21 GLN 108 HE21 GLN 108 -18.388 -2.990 -1.643 831 HE22 GLN 108 HE22 GLN 108 -19.393 -2.948 -0.240 832 H GLY 109 H GLY 109 -14.904 2.807 -2.858 833 HA2 GLY 109 HA2 GLY 109 -14.362 5.100 -2.785 834 HA3 GLY 109 HA3 GLY 109 -16.062 5.486 -2.572 835 H GLU 110 H GLU 110 -16.021 3.298 -0.370 836 HA GLU 110 HA GLU 110 -15.354 5.075 1.803 837 HB2 GLU 110 HB2 GLU 110 -16.124 3.159 3.246 838 HB3 GLU 110 HB3 GLU 110 -17.320 3.783 2.118 839 HG2 GLU 110 HG2 GLU 110 -16.842 1.900 0.597 840 HG3 GLU 110 HG3 GLU 110 -15.696 1.263 1.782 841 H GLU 111 H GLU 111 -14.095 4.125 3.732 842 HA GLU 111 HA GLU 111 -11.476 3.444 2.576 843 HB2 GLU 111 HB2 GLU 111 -11.675 5.659 3.592 844 HB3 GLU 111 HB3 GLU 111 -12.189 4.932 5.108 845 HG2 GLU 111 HG2 GLU 111 -9.999 3.842 5.314 846 HG3 GLU 111 HG3 GLU 111 -9.484 4.615 3.814 847 H VAL 112 H VAL 112 -10.215 1.840 3.359 848 HA VAL 112 HA VAL 112 -11.255 -0.023 5.334 849 HB VAL 112 HB VAL 112 -8.563 -0.046 3.931 850 HG11 VAL 112 HG11 VAL 112 -8.577 -1.429 5.923 851 HG12 VAL 112 HG12 VAL 112 -8.577 -2.457 4.489 852 HG13 VAL 112 HG13 VAL 112 -10.067 -2.218 5.402 853 HG21 VAL 112 HG21 VAL 112 -10.368 -0.100 2.291 854 HG22 VAL 112 HG22 VAL 112 -11.125 -1.443 3.145 855 HG23 VAL 112 HG23 VAL 112 -9.553 -1.661 2.375 856 H ALA 113 H ALA 113 -8.373 2.026 4.951 857 HA ALA 113 HA ALA 113 -8.285 2.887 7.644 858 HB1 ALA 113 HB1 ALA 113 -7.574 0.584 8.076 859 HB2 ALA 113 HB2 ALA 113 -6.269 1.722 8.405 860 HB3 ALA 113 HB3 ALA 113 -6.252 0.768 6.923 861 H GLN 114 H GLN 114 -6.300 4.191 8.098 862 HA GLN 114 HA GLN 114 -4.666 4.852 5.760 863 HB2 GLN 114 HB2 GLN 114 -5.052 7.242 5.956 864 HB3 GLN 114 HB3 GLN 114 -6.583 6.416 5.700 865 HG2 GLN 114 HG2 GLN 114 -7.082 6.602 8.090 866 HG3 GLN 114 HG3 GLN 114 -5.550 7.435 8.342 867 HE21 GLN 114 HE21 GLN 114 -7.690 7.911 5.594 868 HE22 GLN 114 HE22 GLN 114 -8.107 9.538 5.983 869 H ARG 115 H ARG 115 -2.633 5.707 6.257 870 HA ARG 115 HA ARG 115 -1.921 6.201 9.039 871 HB2 ARG 115 HB2 ARG 115 -1.686 3.794 8.947 872 HB3 ARG 115 HB3 ARG 115 -0.752 3.898 7.458 873 HG2 ARG 115 HG2 ARG 115 1.030 5.082 8.690 874 HG3 ARG 115 HG3 ARG 115 0.101 4.893 10.177 875 HD2 ARG 115 HD2 ARG 115 0.298 2.495 10.060 876 HD3 ARG 115 HD3 ARG 115 1.041 2.591 8.461 877 HE ARG 115 HE ARG 115 2.587 4.066 10.284 878 HH11 ARG 115 HH11 ARG 115 1.749 0.778 9.648 879 HH12 ARG 115 HH12 ARG 115 3.279 0.177 10.179 880 HH21 ARG 115 HH21 ARG 115 4.543 3.273 10.956 881 HH22 ARG 115 HH22 ARG 115 4.846 1.572 10.895 882 H SER 116 H SER 116 -0.127 7.497 9.284 883 HA SER 116 HA SER 116 1.316 8.280 6.826 884 HB2 SER 116 HB2 SER 116 1.936 10.347 7.998 885 HB3 SER 116 HB3 SER 116 0.185 10.143 7.975 886 HG SER 116 HG SER 116 1.477 10.698 10.051 887 H THR 117 H THR 117 3.658 9.212 7.582 888 HA THR 117 HA THR 117 4.963 6.816 8.672 889 HB THR 117 HB THR 117 7.045 7.801 7.634 890 HG1 THR 117 HG1 THR 117 6.900 9.769 6.880 891 HG21 THR 117 HG21 THR 117 4.700 7.231 5.819 892 HG22 THR 117 HG22 THR 117 5.786 6.038 6.531 893 HG23 THR 117 HG23 THR 117 6.398 7.187 5.342 894 H VAL 118 H VAL 118 5.669 6.850 10.703 895 HA VAL 118 HA VAL 118 6.358 9.290 12.083 896 HB VAL 118 HB VAL 118 6.960 6.438 12.924 897 HG11 VAL 118 HG11 VAL 118 7.086 7.369 15.191 898 HG12 VAL 118 HG12 VAL 118 6.806 8.987 14.546 899 HG13 VAL 118 HG13 VAL 118 8.278 8.111 14.124 900 HG21 VAL 118 HG21 VAL 118 4.554 8.145 13.583 901 HG22 VAL 118 HG22 VAL 118 4.916 6.566 14.280 902 HG23 VAL 118 HG23 VAL 118 4.565 6.708 12.560 903 H PHE 119 H PHE 119 8.052 10.291 11.045 904 HA PHE 119 HA PHE 119 10.240 9.043 9.850 905 HB2 PHE 119 HB2 PHE 119 11.358 11.328 10.069 906 HB3 PHE 119 HB3 PHE 119 9.827 11.269 9.209 907 HD1 PHE 119 HD1 PHE 119 7.780 12.167 10.248 908 HD2 PHE 119 HD2 PHE 119 11.586 12.554 12.127 909 HE1 PHE 119 HE1 PHE 119 6.882 13.932 11.705 910 HE2 PHE 119 HE2 PHE 119 10.687 14.316 13.585 911 HZ PHE 119 HZ PHE 119 8.333 15.009 13.376 912 H LYS 120 H LYS 120 11.704 7.791 10.739 913 HA LYS 120 HA LYS 120 12.727 8.399 13.441 914 HB2 LYS 120 HB2 LYS 120 12.457 5.761 11.990 915 HB3 LYS 120 HB3 LYS 120 13.375 5.950 13.476 916 HG2 LYS 120 HG2 LYS 120 10.436 6.569 13.195 917 HG3 LYS 120 HG3 LYS 120 11.092 5.049 13.811 918 HD2 LYS 120 HD2 LYS 120 12.251 6.333 15.606 919 HD3 LYS 120 HD3 LYS 120 11.458 7.799 15.021 920 HE2 LYS 120 HE2 LYS 120 9.279 6.857 15.517 921 HE3 LYS 120 HE3 LYS 120 10.015 5.330 15.999 922 HZ1 LYS 120 HZ1 LYS 120 10.407 7.939 17.361 923 HZ2 LYS 120 HZ2 LYS 120 11.101 6.470 17.824 924 HZ3 LYS 120 HZ3 LYS 120 9.427 6.677 17.908 925 H THR 121 H THR 121 14.957 7.963 13.867 926 HA THR 121 HA THR 121 16.731 7.614 11.546 927 HB THR 121 HB THR 121 17.167 9.720 13.693 928 HG1 THR 121 HG1 THR 121 16.209 11.036 12.341 929 HG21 THR 121 HG21 THR 121 19.275 8.728 12.957 930 HG22 THR 121 HG22 THR 121 19.126 10.373 12.338 931 HG23 THR 121 HG23 THR 121 18.833 9.000 11.271 932 H THR 122 H THR 122 17.320 5.538 12.118 933 HA THR 122 HA THR 122 19.090 5.189 14.362 934 HB THR 122 HB THR 122 17.193 4.921 15.710 935 HG1 THR 122 HG1 THR 122 17.838 2.269 14.878 936 HG21 THR 122 HG21 THR 122 15.473 4.802 13.978 937 HG22 THR 122 HG22 THR 122 15.255 3.513 15.161 938 HG23 THR 122 HG23 THR 122 15.962 3.154 13.586 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -29.131 -36.529 -6.400 2 H2 MET 1 H2 MET 1 -27.702 -36.342 -5.515 3 H3 MET 1 H3 MET 1 -27.885 -37.664 -6.553 4 HA MET 1 HA MET 1 -26.441 -35.998 -7.525 5 HB2 MET 1 HB2 MET 1 -29.142 -36.241 -8.876 6 HB3 MET 1 HB3 MET 1 -27.680 -35.674 -9.668 7 HG2 MET 1 HG2 MET 1 -26.627 -37.851 -9.285 8 HG3 MET 1 HG3 MET 1 -28.102 -38.422 -8.504 9 HE1 MET 1 HE1 MET 1 -28.295 -40.501 -10.113 10 HE2 MET 1 HE2 MET 1 -26.791 -40.027 -10.900 11 HE3 MET 1 HE3 MET 1 -28.216 -40.392 -11.872 12 H GLY 2 H GLY 2 -26.599 -33.899 -8.891 13 HA2 GLY 2 HA2 GLY 2 -27.511 -31.717 -9.181 14 HA3 GLY 2 HA3 GLY 2 -28.393 -31.906 -7.674 15 H HIS 3 H HIS 3 -26.587 -29.748 -8.617 16 HA HIS 3 HA HIS 3 -24.326 -29.947 -6.762 17 HB2 HIS 3 HB2 HIS 3 -24.978 -27.798 -8.798 18 HB3 HIS 3 HB3 HIS 3 -23.501 -27.900 -7.846 19 HD1 HIS 3 HD1 HIS 3 -25.051 -29.103 -10.952 20 HD2 HIS 3 HD2 HIS 3 -21.805 -30.109 -8.562 21 HE1 HIS 3 HE1 HIS 3 -23.605 -30.585 -12.368 22 HE2 HIS 3 HE2 HIS 3 -21.561 -31.002 -10.974 23 H HIS 4 H HIS 4 -24.016 -28.590 -5.033 24 HA HIS 4 HA HIS 4 -26.082 -26.567 -4.468 25 HB2 HIS 4 HB2 HIS 4 -25.918 -27.180 -2.037 26 HB3 HIS 4 HB3 HIS 4 -26.647 -28.421 -3.047 27 HD1 HIS 4 HD1 HIS 4 -25.374 -30.636 -3.311 28 HD2 HIS 4 HD2 HIS 4 -23.431 -27.875 -0.892 29 HE1 HIS 4 HE1 HIS 4 -23.553 -31.920 -2.158 30 HE2 HIS 4 HE2 HIS 4 -22.540 -30.278 -0.543 31 H HIS 5 H HIS 5 -25.256 -24.606 -4.112 32 HA HIS 5 HA HIS 5 -22.452 -24.135 -4.151 33 HB2 HIS 5 HB2 HIS 5 -24.735 -22.259 -3.492 34 HB3 HIS 5 HB3 HIS 5 -23.072 -21.755 -3.771 35 HD1 HIS 5 HD1 HIS 5 -26.172 -22.777 -5.517 36 HD2 HIS 5 HD2 HIS 5 -22.221 -21.929 -6.479 37 HE1 HIS 5 HE1 HIS 5 -26.139 -22.475 -8.009 38 HE2 HIS 5 HE2 HIS 5 -23.714 -22.127 -8.583 39 H HIS 6 H HIS 6 -21.035 -24.220 -2.519 40 HA HIS 6 HA HIS 6 -21.941 -23.489 0.196 41 HB2 HIS 6 HB2 HIS 6 -21.562 -26.061 -0.351 42 HB3 HIS 6 HB3 HIS 6 -19.868 -25.639 -0.126 43 HD1 HIS 6 HD1 HIS 6 -23.132 -25.175 1.783 44 HD2 HIS 6 HD2 HIS 6 -19.097 -25.900 2.467 45 HE1 HIS 6 HE1 HIS 6 -22.919 -25.494 4.263 46 HE2 HIS 6 HE2 HIS 6 -20.500 -26.070 4.635 47 H HIS 7 H HIS 7 -19.994 -22.952 1.652 48 HA HIS 7 HA HIS 7 -18.211 -21.605 2.097 49 HB2 HIS 7 HB2 HIS 7 -17.359 -22.599 -0.615 50 HB3 HIS 7 HB3 HIS 7 -16.442 -21.339 0.199 51 HD1 HIS 7 HD1 HIS 7 -14.373 -22.609 0.759 52 HD2 HIS 7 HD2 HIS 7 -17.816 -24.572 2.006 53 HE1 HIS 7 HE1 HIS 7 -13.578 -24.553 2.131 54 HE2 HIS 7 HE2 HIS 7 -15.676 -25.653 2.980 55 H HIS 8 H HIS 8 -20.680 -20.563 1.029 56 HA HIS 8 HA HIS 8 -20.045 -18.435 -0.818 57 HB2 HIS 8 HB2 HIS 8 -22.272 -19.656 -0.690 58 HB3 HIS 8 HB3 HIS 8 -22.585 -18.768 0.796 59 HD1 HIS 8 HD1 HIS 8 -22.859 -18.525 -2.837 60 HD2 HIS 8 HD2 HIS 8 -22.796 -15.879 0.366 61 HE1 HIS 8 HE1 HIS 8 -23.783 -16.372 -3.727 62 HE2 HIS 8 HE2 HIS 8 -23.872 -14.836 -1.742 63 H SER 9 H SER 9 -18.305 -17.549 0.594 64 HA SER 9 HA SER 9 -19.234 -16.058 2.952 65 HB2 SER 9 HB2 SER 9 -17.222 -17.409 3.255 66 HB3 SER 9 HB3 SER 9 -16.424 -16.566 1.931 67 HG SER 9 HG SER 9 -16.234 -15.907 4.380 68 H HIS 10 H HIS 10 -17.851 -13.902 3.244 69 HA HIS 10 HA HIS 10 -17.778 -12.341 0.757 70 HB2 HIS 10 HB2 HIS 10 -19.311 -11.434 3.216 71 HB3 HIS 10 HB3 HIS 10 -19.095 -10.516 1.729 72 HD1 HIS 10 HD1 HIS 10 -20.148 -11.790 -0.477 73 HD2 HIS 10 HD2 HIS 10 -21.605 -12.885 3.259 74 HE1 HIS 10 HE1 HIS 10 -22.334 -12.943 -0.916 75 HE2 HIS 10 HE2 HIS 10 -23.137 -13.700 1.347 76 H MET 11 H MET 11 -15.917 -11.231 0.677 77 HA MET 11 HA MET 11 -14.730 -10.213 3.179 78 HB2 MET 11 HB2 MET 11 -13.384 -11.871 1.050 79 HB3 MET 11 HB3 MET 11 -12.457 -10.802 2.093 80 HG2 MET 11 HG2 MET 11 -14.274 -12.968 3.126 81 HG3 MET 11 HG3 MET 11 -12.551 -13.191 2.825 82 HE1 MET 11 HE1 MET 11 -14.155 -13.633 5.640 83 HE2 MET 11 HE2 MET 11 -12.966 -13.003 6.780 84 HE3 MET 11 HE3 MET 11 -12.447 -14.019 5.436 85 H THR 12 H THR 12 -14.446 -8.097 3.074 86 HA THR 12 HA THR 12 -14.281 -6.733 0.475 87 HB THR 12 HB THR 12 -15.970 -5.940 2.110 88 HG1 THR 12 HG1 THR 12 -15.284 -3.674 2.017 89 HG21 THR 12 HG21 THR 12 -14.764 -6.399 4.190 90 HG22 THR 12 HG22 THR 12 -15.242 -4.703 4.116 91 HG23 THR 12 HG23 THR 12 -13.572 -5.164 3.789 92 H GLY 13 H GLY 13 -12.959 -4.341 1.496 93 HA2 GLY 13 HA2 GLY 13 -10.250 -5.031 1.008 94 HA3 GLY 13 HA3 GLY 13 -10.828 -3.471 1.561 95 H ASN 14 H ASN 14 -9.952 -6.717 2.660 96 HA ASN 14 HA ASN 14 -9.580 -5.745 5.404 97 HB2 ASN 14 HB2 ASN 14 -9.172 -8.261 5.827 98 HB3 ASN 14 HB3 ASN 14 -10.805 -7.747 5.414 99 HD21 ASN 14 HD21 ASN 14 -11.334 -9.802 4.649 100 HD22 ASN 14 HD22 ASN 14 -10.734 -10.390 3.140 101 H VAL 15 H VAL 15 -7.719 -5.797 2.733 102 HA VAL 15 HA VAL 15 -5.226 -6.613 4.015 103 HB VAL 15 HB VAL 15 -5.655 -5.428 1.260 104 HG11 VAL 15 HG11 VAL 15 -3.255 -6.811 2.470 105 HG12 VAL 15 HG12 VAL 15 -3.378 -5.103 2.044 106 HG13 VAL 15 HG13 VAL 15 -3.408 -6.330 0.778 107 HG21 VAL 15 HG21 VAL 15 -5.432 -7.725 0.424 108 HG22 VAL 15 HG22 VAL 15 -6.821 -7.568 1.501 109 HG23 VAL 15 HG23 VAL 15 -5.336 -8.321 2.081 110 H CYS 16 H CYS 16 -4.766 -5.137 5.600 111 HA CYS 16 HA CYS 16 -5.039 -2.268 5.045 112 HB2 CYS 16 HB2 CYS 16 -4.746 -1.965 7.454 113 HB3 CYS 16 HB3 CYS 16 -5.998 -3.160 7.134 114 HG CYS 16 HG CYS 16 -3.251 -4.842 7.400 115 H ILE 17 H ILE 17 -3.345 -0.760 5.424 116 HA ILE 17 HA ILE 17 -0.739 -1.540 4.640 117 HB ILE 17 HB ILE 17 -1.537 1.003 6.083 118 HG12 ILE 17 HG12 ILE 17 -1.373 0.469 3.102 119 HG13 ILE 17 HG13 ILE 17 -2.866 0.606 4.025 120 HG21 ILE 17 HG21 ILE 17 0.865 0.374 4.361 121 HG22 ILE 17 HG22 ILE 17 0.862 0.659 6.100 122 HG23 ILE 17 HG23 ILE 17 0.456 1.971 4.993 123 HD11 ILE 17 HD11 ILE 17 -2.383 2.654 2.825 124 HD12 ILE 17 HD12 ILE 17 -0.826 2.788 3.642 125 HD13 ILE 17 HD13 ILE 17 -2.324 2.919 4.566 126 H GLU 18 H GLU 18 0.869 -2.429 5.823 127 HA GLU 18 HA GLU 18 0.631 -2.524 8.736 128 HB2 GLU 18 HB2 GLU 18 1.178 -4.590 7.474 129 HB3 GLU 18 HB3 GLU 18 2.668 -3.836 6.916 130 HG2 GLU 18 HG2 GLU 18 3.255 -3.557 9.387 131 HG3 GLU 18 HG3 GLU 18 1.929 -4.672 9.706 132 H GLU 19 H GLU 19 3.070 -1.587 6.309 133 HA GLU 19 HA GLU 19 4.089 0.520 8.015 134 HB2 GLU 19 HB2 GLU 19 5.226 -1.465 8.928 135 HB3 GLU 19 HB3 GLU 19 5.824 -1.870 7.326 136 HG2 GLU 19 HG2 GLU 19 7.099 0.243 7.299 137 HG3 GLU 19 HG3 GLU 19 6.550 0.570 8.942 138 H ILE 20 H ILE 20 5.664 1.860 6.937 139 HA ILE 20 HA ILE 20 5.946 1.429 4.027 140 HB ILE 20 HB ILE 20 5.570 4.107 5.408 141 HG12 ILE 20 HG12 ILE 20 3.667 2.577 3.602 142 HG13 ILE 20 HG13 ILE 20 3.477 2.788 5.339 143 HG21 ILE 20 HG21 ILE 20 5.812 3.429 2.471 144 HG22 ILE 20 HG22 ILE 20 7.019 4.263 3.451 145 HG23 ILE 20 HG23 ILE 20 5.463 5.028 3.129 146 HD11 ILE 20 HD11 ILE 20 3.425 4.979 3.274 147 HD12 ILE 20 HD12 ILE 20 3.239 5.199 5.014 148 HD13 ILE 20 HD13 ILE 20 2.031 4.289 4.106 149 H ASP 21 H ASP 21 7.993 1.934 3.157 150 HA ASP 21 HA ASP 21 10.226 1.695 4.819 151 HB2 ASP 21 HB2 ASP 21 10.316 1.139 2.442 152 HB3 ASP 21 HB3 ASP 21 10.057 2.828 2.013 153 H VAL 22 H VAL 22 11.641 3.122 5.748 154 HA VAL 22 HA VAL 22 10.594 5.612 6.584 155 HB VAL 22 HB VAL 22 12.091 4.289 7.997 156 HG11 VAL 22 HG11 VAL 22 14.250 5.025 6.016 157 HG12 VAL 22 HG12 VAL 22 13.616 3.409 6.331 158 HG13 VAL 22 HG13 VAL 22 14.521 4.260 7.583 159 HG21 VAL 22 HG21 VAL 22 13.491 6.117 8.842 160 HG22 VAL 22 HG22 VAL 22 11.867 6.681 8.440 161 HG23 VAL 22 HG23 VAL 22 13.214 7.020 7.353 162 H ASP 23 H ASP 23 12.993 4.785 4.117 163 HA ASP 23 HA ASP 23 13.637 7.555 3.582 164 HB2 ASP 23 HB2 ASP 23 15.347 5.824 3.284 165 HB3 ASP 23 HB3 ASP 23 14.348 5.020 2.078 166 H GLY 24 H GLY 24 12.455 5.026 1.336 167 HA2 GLY 24 HA2 GLY 24 9.988 5.892 0.709 168 HA3 GLY 24 HA3 GLY 24 10.986 7.044 -0.154 169 H LYS 25 H LYS 25 11.649 3.570 0.245 170 HA LYS 25 HA LYS 25 11.716 3.298 -2.655 171 HB2 LYS 25 HB2 LYS 25 12.643 1.591 -0.379 172 HB3 LYS 25 HB3 LYS 25 12.339 0.828 -1.931 173 HG2 LYS 25 HG2 LYS 25 14.643 1.321 -1.861 174 HG3 LYS 25 HG3 LYS 25 13.918 2.500 -2.956 175 HD2 LYS 25 HD2 LYS 25 13.967 4.190 -1.215 176 HD3 LYS 25 HD3 LYS 25 14.583 3.014 -0.050 177 HE2 LYS 25 HE2 LYS 25 16.571 2.710 -1.579 178 HE3 LYS 25 HE3 LYS 25 15.976 4.089 -2.504 179 HZ1 LYS 25 HZ1 LYS 25 16.187 5.464 -0.555 180 HZ2 LYS 25 HZ2 LYS 25 17.668 4.712 -0.878 181 HZ3 LYS 25 HZ3 LYS 25 16.684 4.144 0.374 182 H PHE 26 H PHE 26 9.907 1.769 0.050 183 HA PHE 26 HA PHE 26 7.884 0.907 -1.885 184 HB2 PHE 26 HB2 PHE 26 7.957 -1.428 -1.100 185 HB3 PHE 26 HB3 PHE 26 9.471 -0.937 -1.852 186 HD1 PHE 26 HD1 PHE 26 11.485 -0.589 -0.487 187 HD2 PHE 26 HD2 PHE 26 7.853 -2.000 1.238 188 HE1 PHE 26 HE1 PHE 26 12.718 -1.322 1.512 189 HE2 PHE 26 HE2 PHE 26 9.084 -2.735 3.234 190 HZ PHE 26 HZ PHE 26 11.521 -2.393 3.374 191 H ILE 27 H ILE 27 5.932 0.031 -0.943 192 HA ILE 27 HA ILE 27 5.473 0.739 1.901 193 HB ILE 27 HB ILE 27 3.460 0.746 -0.372 194 HG12 ILE 27 HG12 ILE 27 4.633 3.059 1.211 195 HG13 ILE 27 HG13 ILE 27 5.016 2.665 -0.462 196 HG21 ILE 27 HG21 ILE 27 1.875 1.657 1.269 197 HG22 ILE 27 HG22 ILE 27 3.088 1.481 2.538 198 HG23 ILE 27 HG23 ILE 27 2.438 0.052 1.736 199 HD11 ILE 27 HD11 ILE 27 3.468 4.519 -0.338 200 HD12 ILE 27 HD12 ILE 27 2.330 3.540 0.588 201 HD13 ILE 27 HD13 ILE 27 2.692 3.124 -1.088 202 H ARG 28 H ARG 28 4.513 -0.861 3.202 203 HA ARG 28 HA ARG 28 4.131 -3.477 1.877 204 HB2 ARG 28 HB2 ARG 28 6.149 -3.281 3.348 205 HB3 ARG 28 HB3 ARG 28 5.074 -3.016 4.714 206 HG2 ARG 28 HG2 ARG 28 4.130 -5.219 4.466 207 HG3 ARG 28 HG3 ARG 28 5.049 -5.490 2.985 208 HD2 ARG 28 HD2 ARG 28 6.135 -6.636 4.801 209 HD3 ARG 28 HD3 ARG 28 7.144 -5.282 4.294 210 HE ARG 28 HE ARG 28 5.402 -5.182 6.675 211 HH11 ARG 28 HH11 ARG 28 8.432 -4.565 5.122 212 HH12 ARG 28 HH12 ARG 28 9.112 -3.831 6.530 213 HH21 ARG 28 HH21 ARG 28 6.299 -4.252 8.453 214 HH22 ARG 28 HH22 ARG 28 7.921 -3.648 8.389 215 H LEU 29 H LEU 29 2.089 -4.120 1.840 216 HA LEU 29 HA LEU 29 0.261 -3.399 4.049 217 HB2 LEU 29 HB2 LEU 29 -0.357 -4.364 1.247 218 HB3 LEU 29 HB3 LEU 29 -1.561 -4.052 2.480 219 HG LEU 29 HG LEU 29 -0.774 -1.641 2.494 220 HD11 LEU 29 HD11 LEU 29 1.410 -1.936 1.470 221 HD12 LEU 29 HD12 LEU 29 0.420 -0.835 0.516 222 HD13 LEU 29 HD13 LEU 29 0.656 -2.497 -0.023 223 HD21 LEU 29 HD21 LEU 29 -2.830 -2.341 1.381 224 HD22 LEU 29 HD22 LEU 29 -1.922 -2.716 -0.085 225 HD23 LEU 29 HD23 LEU 29 -2.031 -1.050 0.484 226 H LYS 30 H LYS 30 -1.072 -5.032 5.008 227 HA LYS 30 HA LYS 30 -0.128 -7.799 4.564 228 HB2 LYS 30 HB2 LYS 30 0.771 -6.888 6.669 229 HB3 LYS 30 HB3 LYS 30 -0.862 -6.521 7.215 230 HG2 LYS 30 HG2 LYS 30 -1.380 -8.967 7.077 231 HG3 LYS 30 HG3 LYS 30 0.323 -9.254 6.722 232 HD2 LYS 30 HD2 LYS 30 0.930 -8.228 8.875 233 HD3 LYS 30 HD3 LYS 30 -0.782 -7.978 9.231 234 HE2 LYS 30 HE2 LYS 30 -1.105 -10.455 9.016 235 HE3 LYS 30 HE3 LYS 30 0.647 -10.617 8.876 236 HZ1 LYS 30 HZ1 LYS 30 -0.001 -11.010 11.125 237 HZ2 LYS 30 HZ2 LYS 30 -0.865 -9.557 11.201 238 HZ3 LYS 30 HZ3 LYS 30 0.821 -9.533 11.071 239 H ASN 31 H ASN 31 -1.686 -9.274 4.150 240 HA ASN 31 HA ASN 31 -4.496 -8.584 4.467 241 HB2 ASN 31 HB2 ASN 31 -3.883 -9.787 2.459 242 HB3 ASN 31 HB3 ASN 31 -3.134 -11.073 3.402 243 HD21 ASN 31 HD21 ASN 31 -4.473 -12.605 2.405 244 HD22 ASN 31 HD22 ASN 31 -6.139 -12.767 2.830 245 H THR 32 H THR 32 -5.426 -8.801 6.420 246 HA THR 32 HA THR 32 -4.373 -10.821 8.288 247 HB THR 32 HB THR 32 -4.537 -8.480 9.092 248 HG1 THR 32 HG1 THR 32 -6.299 -10.276 10.453 249 HG21 THR 32 HG21 THR 32 -7.524 -8.909 8.852 250 HG22 THR 32 HG22 THR 32 -6.557 -7.785 7.894 251 HG23 THR 32 HG23 THR 32 -6.742 -7.533 9.631 252 H SER 33 H SER 33 -6.451 -11.097 5.963 253 HA SER 33 HA SER 33 -8.749 -12.179 7.400 254 HB2 SER 33 HB2 SER 33 -9.140 -10.969 5.303 255 HB3 SER 33 HB3 SER 33 -8.123 -12.115 4.433 256 HG SER 33 HG SER 33 -10.712 -12.298 4.898 257 H GLU 34 H GLU 34 -9.529 -14.380 6.202 258 HA GLU 34 HA GLU 34 -7.436 -16.342 6.860 259 HB2 GLU 34 HB2 GLU 34 -10.412 -16.756 6.461 260 HB3 GLU 34 HB3 GLU 34 -9.270 -17.931 7.104 261 HG2 GLU 34 HG2 GLU 34 -8.916 -16.565 9.074 262 HG3 GLU 34 HG3 GLU 34 -9.954 -15.300 8.417 263 H GLN 35 H GLN 35 -9.100 -15.042 4.166 264 HA GLN 35 HA GLN 35 -8.698 -17.439 2.505 265 HB2 GLN 35 HB2 GLN 35 -10.957 -16.582 2.480 266 HB3 GLN 35 HB3 GLN 35 -10.391 -14.959 2.118 267 HG2 GLN 35 HG2 GLN 35 -9.603 -15.739 -0.081 268 HG3 GLN 35 HG3 GLN 35 -10.216 -17.349 0.286 269 HE21 GLN 35 HE21 GLN 35 -11.088 -14.047 -0.402 270 HE22 GLN 35 HE22 GLN 35 -12.731 -14.369 -0.825 271 H ASP 36 H ASP 36 -7.730 -17.286 0.418 272 HA ASP 36 HA ASP 36 -5.558 -15.510 0.065 273 HB2 ASP 36 HB2 ASP 36 -7.028 -17.091 -2.069 274 HB3 ASP 36 HB3 ASP 36 -5.394 -16.445 -2.187 275 H GLN 37 H GLN 37 -6.209 -13.354 0.212 276 HA GLN 37 HA GLN 37 -8.574 -12.400 -1.106 277 HB2 GLN 37 HB2 GLN 37 -6.411 -11.026 0.476 278 HB3 GLN 37 HB3 GLN 37 -7.748 -10.147 -0.257 279 HG2 GLN 37 HG2 GLN 37 -8.009 -12.361 1.769 280 HG3 GLN 37 HG3 GLN 37 -8.152 -10.636 2.101 281 HE21 GLN 37 HE21 GLN 37 -9.948 -9.511 1.303 282 HE22 GLN 37 HE22 GLN 37 -11.391 -10.327 0.814 283 HA PRO 38 HA PRO 38 -6.464 -11.429 -4.982 284 HB2 PRO 38 HB2 PRO 38 -8.681 -10.471 -6.254 285 HB3 PRO 38 HB3 PRO 38 -8.329 -12.196 -6.093 286 HG2 PRO 38 HG2 PRO 38 -10.165 -10.479 -4.458 287 HG3 PRO 38 HG3 PRO 38 -10.439 -12.108 -5.106 288 HD2 PRO 38 HD2 PRO 38 -9.746 -11.682 -2.525 289 HD3 PRO 38 HD3 PRO 38 -9.208 -13.118 -3.422 290 H MET 39 H MET 39 -5.602 -9.542 -5.774 291 HA MET 39 HA MET 39 -5.463 -7.251 -4.246 292 HB2 MET 39 HB2 MET 39 -3.978 -7.978 -6.172 293 HB3 MET 39 HB3 MET 39 -5.175 -7.287 -7.252 294 HG2 MET 39 HG2 MET 39 -3.674 -5.573 -7.105 295 HG3 MET 39 HG3 MET 39 -4.798 -5.128 -5.825 296 HE1 MET 39 HE1 MET 39 -4.128 -6.832 -3.330 297 HE2 MET 39 HE2 MET 39 -4.189 -5.072 -3.271 298 HE3 MET 39 HE3 MET 39 -2.814 -5.930 -2.578 299 H GLY 40 H GLY 40 -7.894 -8.104 -6.599 300 HA2 GLY 40 HA2 GLY 40 -9.980 -7.260 -6.989 301 HA3 GLY 40 HA3 GLY 40 -9.783 -6.319 -5.524 302 H GLY 41 H GLY 41 -9.314 -4.165 -5.667 303 HA2 GLY 41 HA2 GLY 41 -8.319 -2.719 -7.819 304 HA3 GLY 41 HA3 GLY 41 -10.051 -2.852 -8.090 305 H TRP 42 H TRP 42 -7.945 -2.232 -5.276 306 HA TRP 42 HA TRP 42 -9.945 -0.402 -4.203 307 HB2 TRP 42 HB2 TRP 42 -7.328 -1.306 -2.969 308 HB3 TRP 42 HB3 TRP 42 -8.652 -0.487 -2.143 309 HD1 TRP 42 HD1 TRP 42 -11.137 -2.123 -2.824 310 HE1 TRP 42 HE1 TRP 42 -11.385 -4.598 -2.165 311 HE3 TRP 42 HE3 TRP 42 -6.196 -3.306 -2.214 312 HZ2 TRP 42 HZ2 TRP 42 -9.716 -6.759 -1.470 313 HZ3 TRP 42 HZ3 TRP 42 -5.614 -5.602 -1.546 314 HH2 TRP 42 HH2 TRP 42 -7.336 -7.291 -1.182 315 H GLU 43 H GLU 43 -9.460 1.717 -3.466 316 HA GLU 43 HA GLU 43 -7.492 3.108 -5.140 317 HB2 GLU 43 HB2 GLU 43 -9.736 3.969 -5.314 318 HB3 GLU 43 HB3 GLU 43 -9.882 4.089 -3.565 319 HG2 GLU 43 HG2 GLU 43 -8.194 5.849 -3.524 320 HG3 GLU 43 HG3 GLU 43 -7.988 5.708 -5.270 321 H MET 44 H MET 44 -5.588 3.588 -4.265 322 HA MET 44 HA MET 44 -5.339 3.971 -1.366 323 HB2 MET 44 HB2 MET 44 -3.774 2.404 -2.452 324 HB3 MET 44 HB3 MET 44 -3.193 3.698 -3.490 325 HG2 MET 44 HG2 MET 44 -2.329 4.890 -1.559 326 HG3 MET 44 HG3 MET 44 -2.969 3.645 -0.489 327 HE1 MET 44 HE1 MET 44 -0.364 4.458 -3.320 328 HE2 MET 44 HE2 MET 44 -1.248 3.093 -4.005 329 HE3 MET 44 HE3 MET 44 0.437 2.900 -3.522 330 H ILE 45 H ILE 45 -5.822 6.014 -0.805 331 HA ILE 45 HA ILE 45 -5.041 8.271 -2.493 332 HB ILE 45 HB ILE 45 -6.575 8.261 0.119 333 HG12 ILE 45 HG12 ILE 45 -7.574 8.460 -2.741 334 HG13 ILE 45 HG13 ILE 45 -7.775 7.067 -1.680 335 HG21 ILE 45 HG21 ILE 45 -7.226 10.555 -0.513 336 HG22 ILE 45 HG22 ILE 45 -6.164 10.462 -1.917 337 HG23 ILE 45 HG23 ILE 45 -5.481 10.401 -0.292 338 HD11 ILE 45 HD11 ILE 45 -9.810 8.349 -1.789 339 HD12 ILE 45 HD12 ILE 45 -8.956 9.806 -1.279 340 HD13 ILE 45 HD13 ILE 45 -9.127 8.445 -0.167 341 H ARG 46 H ARG 46 -3.087 9.151 -2.233 342 HA ARG 46 HA ARG 46 -1.879 9.158 0.465 343 HB2 ARG 46 HB2 ARG 46 -0.604 7.758 -1.059 344 HB3 ARG 46 HB3 ARG 46 -0.532 9.055 -2.246 345 HG2 ARG 46 HG2 ARG 46 0.787 10.402 -0.637 346 HG3 ARG 46 HG3 ARG 46 0.771 9.034 0.476 347 HD2 ARG 46 HD2 ARG 46 1.971 7.673 -1.151 348 HD3 ARG 46 HD3 ARG 46 1.937 9.003 -2.312 349 HE ARG 46 HE ARG 46 3.151 10.132 -0.209 350 HH11 ARG 46 HH11 ARG 46 3.725 7.178 -1.869 351 HH12 ARG 46 HH12 ARG 46 5.405 7.158 -1.481 352 HH21 ARG 46 HH21 ARG 46 5.308 10.116 0.277 353 HH22 ARG 46 HH22 ARG 46 6.300 8.813 -0.267 354 H LYS 47 H LYS 47 -1.223 11.074 1.322 355 HA LYS 47 HA LYS 47 -0.976 13.398 -0.473 356 HB2 LYS 47 HB2 LYS 47 -3.169 13.441 0.745 357 HB3 LYS 47 HB3 LYS 47 -2.275 13.522 2.259 358 HG2 LYS 47 HG2 LYS 47 -1.323 15.652 1.640 359 HG3 LYS 47 HG3 LYS 47 -2.061 15.557 0.038 360 HD2 LYS 47 HD2 LYS 47 -4.301 15.572 1.110 361 HD3 LYS 47 HD3 LYS 47 -3.519 15.769 2.682 362 HE2 LYS 47 HE2 LYS 47 -2.531 17.884 1.916 363 HE3 LYS 47 HE3 LYS 47 -3.313 17.681 0.349 364 HZ1 LYS 47 HZ1 LYS 47 -4.526 19.190 1.801 365 HZ2 LYS 47 HZ2 LYS 47 -4.731 17.961 2.941 366 HZ3 LYS 47 HZ3 LYS 47 -5.456 17.832 1.419 367 H ILE 48 H ILE 48 1.015 14.157 -0.368 368 HA ILE 48 HA ILE 48 2.530 13.888 2.155 369 HB ILE 48 HB ILE 48 3.562 12.548 0.452 370 HG12 ILE 48 HG12 ILE 48 5.143 15.116 0.779 371 HG13 ILE 48 HG13 ILE 48 5.076 13.801 1.950 372 HG21 ILE 48 HG21 ILE 48 2.598 13.603 -1.520 373 HG22 ILE 48 HG22 ILE 48 4.345 13.439 -1.682 374 HG23 ILE 48 HG23 ILE 48 3.640 15.008 -1.292 375 HD11 ILE 48 HD11 ILE 48 6.123 12.305 0.315 376 HD12 ILE 48 HD12 ILE 48 7.127 13.712 0.665 377 HD13 ILE 48 HD13 ILE 48 6.210 13.638 -0.838 378 H GLY 49 H GLY 49 2.990 15.723 3.190 379 HA2 GLY 49 HA2 GLY 49 3.219 17.973 3.639 380 HA3 GLY 49 HA3 GLY 49 3.624 18.206 1.942 381 H ASP 50 H ASP 50 1.858 18.438 0.416 382 HA ASP 50 HA ASP 50 -0.844 18.658 1.475 383 HB2 ASP 50 HB2 ASP 50 0.138 20.940 1.713 384 HB3 ASP 50 HB3 ASP 50 0.385 20.983 -0.030 385 H THR 51 H THR 51 1.307 18.002 -1.110 386 HA THR 51 HA THR 51 -0.700 18.052 -3.196 387 HB THR 51 HB THR 51 1.622 18.478 -3.815 388 HG1 THR 51 HG1 THR 51 1.750 16.621 -5.433 389 HG21 THR 51 HG21 THR 51 2.160 15.626 -2.970 390 HG22 THR 51 HG22 THR 51 2.745 17.076 -2.154 391 HG23 THR 51 HG23 THR 51 3.303 16.695 -3.782 392 H SER 52 H SER 52 -1.663 16.251 -4.205 393 HA SER 52 HA SER 52 -1.652 13.794 -2.555 394 HB2 SER 52 HB2 SER 52 -4.084 13.615 -2.895 395 HB3 SER 52 HB3 SER 52 -3.664 15.120 -2.081 396 HG SER 52 HG SER 52 -4.948 15.861 -3.623 397 H VAL 53 H VAL 53 -2.058 11.840 -3.548 398 HA VAL 53 HA VAL 53 -2.502 11.702 -6.427 399 HB VAL 53 HB VAL 53 -0.057 11.803 -6.279 400 HG11 VAL 53 HG11 VAL 53 0.224 10.993 -3.996 401 HG12 VAL 53 HG12 VAL 53 1.233 10.077 -5.114 402 HG13 VAL 53 HG13 VAL 53 -0.262 9.372 -4.495 403 HG21 VAL 53 HG21 VAL 53 0.487 9.734 -7.481 404 HG22 VAL 53 HG22 VAL 53 -1.046 10.412 -8.028 405 HG23 VAL 53 HG23 VAL 53 -1.032 9.018 -6.946 406 H SER 54 H SER 54 -3.412 9.712 -7.085 407 HA SER 54 HA SER 54 -4.045 7.806 -4.911 408 HB2 SER 54 HB2 SER 54 -6.332 7.564 -5.832 409 HB3 SER 54 HB3 SER 54 -6.013 9.213 -5.298 410 HG SER 54 HG SER 54 -7.042 8.837 -7.462 411 H TYR 55 H TYR 55 -3.614 5.737 -5.365 412 HA TYR 55 HA TYR 55 -3.311 4.934 -8.196 413 HB2 TYR 55 HB2 TYR 55 -1.136 4.994 -7.093 414 HB3 TYR 55 HB3 TYR 55 -1.738 3.972 -5.792 415 HD1 TYR 55 HD1 TYR 55 -1.513 3.911 -9.534 416 HD2 TYR 55 HD2 TYR 55 -1.162 1.724 -5.896 417 HE1 TYR 55 HE1 TYR 55 -0.797 1.933 -10.801 418 HE2 TYR 55 HE2 TYR 55 -0.445 -0.265 -7.156 419 HH TYR 55 HH TYR 55 -0.666 -1.165 -9.464 420 H LYS 56 H LYS 56 -4.316 3.094 -8.867 421 HA LYS 56 HA LYS 56 -6.090 1.774 -6.936 422 HB2 LYS 56 HB2 LYS 56 -7.126 2.754 -8.943 423 HB3 LYS 56 HB3 LYS 56 -6.130 1.727 -9.964 424 HG2 LYS 56 HG2 LYS 56 -7.221 -0.259 -9.060 425 HG3 LYS 56 HG3 LYS 56 -8.190 0.749 -7.985 426 HD2 LYS 56 HD2 LYS 56 -8.260 0.799 -11.009 427 HD3 LYS 56 HD3 LYS 56 -9.467 0.055 -9.958 428 HE2 LYS 56 HE2 LYS 56 -9.884 2.302 -8.953 429 HE3 LYS 56 HE3 LYS 56 -8.782 2.991 -10.145 430 HZ1 LYS 56 HZ1 LYS 56 -11.098 3.190 -10.821 431 HZ2 LYS 56 HZ2 LYS 56 -11.272 1.506 -10.776 432 HZ3 LYS 56 HZ3 LYS 56 -10.229 2.218 -11.898 433 H TYR 57 H TYR 57 -5.832 -0.296 -6.339 434 HA TYR 57 HA TYR 57 -3.575 -1.817 -7.364 435 HB2 TYR 57 HB2 TYR 57 -5.514 -2.244 -5.090 436 HB3 TYR 57 HB3 TYR 57 -4.340 -3.469 -5.556 437 HD1 TYR 57 HD1 TYR 57 -4.669 0.026 -4.322 438 HD2 TYR 57 HD2 TYR 57 -2.092 -3.325 -4.852 439 HE1 TYR 57 HE1 TYR 57 -2.956 1.123 -2.938 440 HE2 TYR 57 HE2 TYR 57 -0.384 -2.236 -3.467 441 HH TYR 57 HH TYR 57 -1.019 0.635 -1.651 442 H THR 58 H THR 58 -4.107 -2.550 -9.409 443 HA THR 58 HA THR 58 -6.612 -3.760 -10.058 444 HB THR 58 HB THR 58 -5.353 -2.724 -11.835 445 HG1 THR 58 HG1 THR 58 -5.495 -4.394 -13.344 446 HG21 THR 58 HG21 THR 58 -3.223 -3.635 -12.647 447 HG22 THR 58 HG22 THR 58 -3.219 -4.809 -11.330 448 HG23 THR 58 HG23 THR 58 -3.084 -3.086 -10.978 449 H SER 59 H SER 59 -7.230 -5.878 -10.168 450 HA SER 59 HA SER 59 -5.804 -7.762 -8.560 451 HB2 SER 59 HB2 SER 59 -7.624 -9.336 -9.139 452 HB3 SER 59 HB3 SER 59 -8.241 -7.780 -8.590 453 HG SER 59 HG SER 59 -7.899 -7.791 -11.281 454 H ARG 60 H ARG 60 -3.780 -8.107 -9.583 455 HA ARG 60 HA ARG 60 -3.934 -9.772 -12.015 456 HB2 ARG 60 HB2 ARG 60 -1.581 -9.312 -12.381 457 HB3 ARG 60 HB3 ARG 60 -2.477 -7.811 -12.213 458 HG2 ARG 60 HG2 ARG 60 -1.638 -7.506 -9.969 459 HG3 ARG 60 HG3 ARG 60 -0.839 -9.078 -10.022 460 HD2 ARG 60 HD2 ARG 60 -0.207 -6.682 -11.753 461 HD3 ARG 60 HD3 ARG 60 0.774 -7.302 -10.424 462 HE ARG 60 HE ARG 60 0.685 -9.437 -11.996 463 HH11 ARG 60 HH11 ARG 60 1.270 -6.137 -12.799 464 HH12 ARG 60 HH12 ARG 60 2.236 -6.534 -14.176 465 HH21 ARG 60 HH21 ARG 60 1.914 -9.930 -13.750 466 HH22 ARG 60 HH22 ARG 60 2.603 -8.667 -14.709 467 H TYR 61 H TYR 61 -3.282 -9.910 -8.642 468 HA TYR 61 HA TYR 61 -3.179 -12.776 -8.816 469 HB2 TYR 61 HB2 TYR 61 -1.107 -13.108 -7.564 470 HB3 TYR 61 HB3 TYR 61 -0.790 -12.275 -9.076 471 HD1 TYR 61 HD1 TYR 61 -0.966 -11.870 -5.400 472 HD2 TYR 61 HD2 TYR 61 0.157 -10.069 -9.092 473 HE1 TYR 61 HE1 TYR 61 0.280 -10.140 -4.173 474 HE2 TYR 61 HE2 TYR 61 1.401 -8.340 -7.873 475 HH TYR 61 HH TYR 61 2.126 -8.577 -4.561 476 H VAL 62 H VAL 62 -2.663 -13.586 -6.329 477 HA VAL 62 HA VAL 62 -4.577 -12.049 -4.671 478 HB VAL 62 HB VAL 62 -5.264 -14.170 -3.632 479 HG11 VAL 62 HG11 VAL 62 -5.455 -14.214 -6.651 480 HG12 VAL 62 HG12 VAL 62 -6.531 -13.355 -5.549 481 HG13 VAL 62 HG13 VAL 62 -6.487 -15.117 -5.539 482 HG21 VAL 62 HG21 VAL 62 -3.435 -15.483 -5.654 483 HG22 VAL 62 HG22 VAL 62 -4.553 -16.321 -4.575 484 HG23 VAL 62 HG23 VAL 62 -3.185 -15.430 -3.908 485 H LEU 63 H LEU 63 -4.330 -12.239 -2.345 486 HA LEU 63 HA LEU 63 -1.559 -12.741 -1.454 487 HB2 LEU 63 HB2 LEU 63 -2.228 -10.304 -1.643 488 HB3 LEU 63 HB3 LEU 63 -3.416 -10.599 -0.388 489 HG LEU 63 HG LEU 63 -1.526 -11.275 1.135 490 HD11 LEU 63 HD11 LEU 63 0.115 -11.847 -0.573 491 HD12 LEU 63 HD12 LEU 63 0.744 -10.609 0.513 492 HD13 LEU 63 HD13 LEU 63 0.175 -10.164 -1.098 493 HD21 LEU 63 HD21 LEU 63 -2.539 -9.037 1.227 494 HD22 LEU 63 HD22 LEU 63 -1.383 -8.468 0.020 495 HD23 LEU 63 HD23 LEU 63 -0.818 -8.993 1.608 496 H LYS 64 H LYS 64 -1.540 -14.431 -0.071 497 HA LYS 64 HA LYS 64 -3.993 -15.446 1.012 498 HB2 LYS 64 HB2 LYS 64 -2.017 -16.807 0.160 499 HB3 LYS 64 HB3 LYS 64 -1.217 -16.425 1.680 500 HG2 LYS 64 HG2 LYS 64 -2.884 -17.589 2.939 501 HG3 LYS 64 HG3 LYS 64 -3.901 -17.787 1.511 502 HD2 LYS 64 HD2 LYS 64 -1.973 -19.122 0.509 503 HD3 LYS 64 HD3 LYS 64 -1.275 -19.128 2.131 504 HE2 LYS 64 HE2 LYS 64 -2.581 -21.172 1.660 505 HE3 LYS 64 HE3 LYS 64 -3.239 -20.250 3.011 506 HZ1 LYS 64 HZ1 LYS 64 -5.028 -19.518 1.737 507 HZ2 LYS 64 HZ2 LYS 64 -4.862 -21.134 1.281 508 HZ3 LYS 64 HZ3 LYS 64 -4.292 -19.904 0.267 509 H ALA 65 H ALA 65 -4.077 -16.226 3.340 510 HA ALA 65 HA ALA 65 -4.302 -14.144 5.121 511 HB1 ALA 65 HB1 ALA 65 -4.551 -15.829 6.857 512 HB2 ALA 65 HB2 ALA 65 -3.817 -17.045 5.810 513 HB3 ALA 65 HB3 ALA 65 -5.376 -16.337 5.382 514 H GLY 66 H GLY 66 -2.937 -12.967 6.303 515 HA2 GLY 66 HA2 GLY 66 -1.178 -12.480 7.732 516 HA3 GLY 66 HA3 GLY 66 -0.587 -14.118 7.528 517 H GLN 67 H GLN 67 -0.770 -13.452 4.463 518 HA GLN 67 HA GLN 67 2.027 -12.912 4.241 519 HB2 GLN 67 HB2 GLN 67 0.823 -14.435 2.702 520 HB3 GLN 67 HB3 GLN 67 -0.073 -13.065 2.062 521 HG2 GLN 67 HG2 GLN 67 1.571 -13.348 0.480 522 HG3 GLN 67 HG3 GLN 67 2.262 -12.094 1.502 523 HE21 GLN 67 HE21 GLN 67 2.911 -14.159 3.611 524 HE22 GLN 67 HE22 GLN 67 4.306 -14.960 2.998 525 H THR 68 H THR 68 3.094 -11.092 3.615 526 HA THR 68 HA THR 68 1.515 -8.609 3.408 527 HB THR 68 HB THR 68 3.642 -7.432 3.968 528 HG1 THR 68 HG1 THR 68 5.134 -9.024 3.271 529 HG21 THR 68 HG21 THR 68 2.046 -7.999 5.745 530 HG22 THR 68 HG22 THR 68 3.708 -8.071 6.331 531 HG23 THR 68 HG23 THR 68 2.838 -9.560 5.960 532 H VAL 69 H VAL 69 1.539 -7.394 1.598 533 HA VAL 69 HA VAL 69 3.215 -8.260 -0.655 534 HB VAL 69 HB VAL 69 0.820 -8.099 -1.109 535 HG11 VAL 69 HG11 VAL 69 1.090 -5.180 -0.380 536 HG12 VAL 69 HG12 VAL 69 0.180 -6.406 0.503 537 HG13 VAL 69 HG13 VAL 69 -0.334 -5.920 -1.112 538 HG21 VAL 69 HG21 VAL 69 0.903 -6.688 -3.110 539 HG22 VAL 69 HG22 VAL 69 2.374 -7.645 -2.937 540 HG23 VAL 69 HG23 VAL 69 2.383 -5.931 -2.520 541 H THR 70 H THR 70 4.641 -6.906 -1.711 542 HA THR 70 HA THR 70 5.342 -4.411 -0.291 543 HB THR 70 HB THR 70 7.131 -6.168 -1.996 544 HG1 THR 70 HG1 THR 70 7.709 -7.123 -0.177 545 HG21 THR 70 HG21 THR 70 8.959 -4.794 -1.100 546 HG22 THR 70 HG22 THR 70 7.790 -3.783 -0.253 547 HG23 THR 70 HG23 THR 70 7.818 -3.811 -2.017 548 H ILE 71 H ILE 71 5.027 -2.556 -1.338 549 HA ILE 71 HA ILE 71 4.597 -2.594 -4.256 550 HB ILE 71 HB ILE 71 3.820 -0.367 -2.358 551 HG12 ILE 71 HG12 ILE 71 2.672 -2.385 -1.608 552 HG13 ILE 71 HG13 ILE 71 1.524 -1.311 -2.399 553 HG21 ILE 71 HG21 ILE 71 2.247 0.232 -4.173 554 HG22 ILE 71 HG22 ILE 71 2.913 -1.073 -5.156 555 HG23 ILE 71 HG23 ILE 71 3.932 0.290 -4.689 556 HD11 ILE 71 HD11 ILE 71 1.634 -2.681 -4.414 557 HD12 ILE 71 HD12 ILE 71 1.141 -3.623 -3.008 558 HD13 ILE 71 HD13 ILE 71 2.789 -3.754 -3.620 559 H TRP 72 H TRP 72 6.555 -2.194 -5.204 560 HA TRP 72 HA TRP 72 8.442 -0.281 -4.113 561 HB2 TRP 72 HB2 TRP 72 8.487 -1.878 -6.688 562 HB3 TRP 72 HB3 TRP 72 9.820 -0.894 -6.092 563 HD1 TRP 72 HD1 TRP 72 7.985 -4.185 -5.401 564 HE1 TRP 72 HE1 TRP 72 9.449 -5.634 -3.862 565 HE3 TRP 72 HE3 TRP 72 11.631 -0.775 -4.309 566 HZ2 TRP 72 HZ2 TRP 72 11.830 -5.369 -2.377 567 HZ3 TRP 72 HZ3 TRP 72 13.470 -1.454 -2.816 568 HH2 TRP 72 HH2 TRP 72 13.564 -3.706 -1.871 569 H ALA 73 H ALA 73 8.568 1.839 -4.622 570 HA ALA 73 HA ALA 73 6.697 2.990 -6.477 571 HB1 ALA 73 HB1 ALA 73 7.259 4.122 -4.390 572 HB2 ALA 73 HB2 ALA 73 7.626 5.137 -5.785 573 HB3 ALA 73 HB3 ALA 73 8.927 4.308 -4.931 574 H ALA 74 H ALA 74 7.416 1.947 -8.434 575 HA ALA 74 HA ALA 74 8.273 2.036 -10.523 576 HB1 ALA 74 HB1 ALA 74 9.207 4.110 -11.351 577 HB2 ALA 74 HB2 ALA 74 9.430 4.695 -9.700 578 HB3 ALA 74 HB3 ALA 74 7.804 4.430 -10.330 579 H ASN 75 H ASN 75 10.907 3.519 -8.600 580 HA ASN 75 HA ASN 75 12.934 2.305 -10.194 581 HB2 ASN 75 HB2 ASN 75 13.273 3.610 -7.484 582 HB3 ASN 75 HB3 ASN 75 14.508 3.385 -8.718 583 HD21 ASN 75 HD21 ASN 75 13.628 5.844 -7.462 584 HD22 ASN 75 HD22 ASN 75 13.074 6.866 -8.742 585 H ALA 76 H ALA 76 12.175 0.044 -9.919 586 HA ALA 76 HA ALA 76 13.019 -1.204 -7.389 587 HB1 ALA 76 HB1 ALA 76 11.444 -2.411 -9.666 588 HB2 ALA 76 HB2 ALA 76 10.748 -1.710 -8.204 589 HB3 ALA 76 HB3 ALA 76 11.761 -3.150 -8.096 590 H GLY 77 H GLY 77 13.417 -1.612 -10.919 591 HA2 GLY 77 HA2 GLY 77 15.370 -2.187 -12.064 592 HA3 GLY 77 HA3 GLY 77 16.153 -2.529 -10.530 593 H VAL 78 H VAL 78 14.121 -4.334 -9.576 594 HA VAL 78 HA VAL 78 15.031 -6.753 -10.814 595 HB VAL 78 HB VAL 78 13.590 -7.893 -9.151 596 HG11 VAL 78 HG11 VAL 78 14.796 -7.147 -7.159 597 HG12 VAL 78 HG12 VAL 78 15.275 -5.668 -7.993 598 HG13 VAL 78 HG13 VAL 78 15.868 -7.231 -8.558 599 HG21 VAL 78 HG21 VAL 78 12.402 -6.547 -7.452 600 HG22 VAL 78 HG22 VAL 78 11.735 -6.318 -9.070 601 HG23 VAL 78 HG23 VAL 78 12.780 -5.085 -8.365 602 H THR 79 H THR 79 13.027 -8.516 -10.872 603 HA THR 79 HA THR 79 11.774 -8.217 -13.326 604 HB THR 79 HB THR 79 10.839 -9.926 -11.000 605 HG1 THR 79 HG1 THR 79 12.751 -10.779 -11.444 606 HG21 THR 79 HG21 THR 79 9.097 -9.723 -12.713 607 HG22 THR 79 HG22 THR 79 9.796 -11.342 -12.720 608 HG23 THR 79 HG23 THR 79 10.259 -10.176 -13.960 609 H ALA 80 H ALA 80 10.110 -7.055 -14.042 610 HA ALA 80 HA ALA 80 8.837 -5.183 -12.351 611 HB1 ALA 80 HB1 ALA 80 7.712 -4.396 -14.331 612 HB2 ALA 80 HB2 ALA 80 8.142 -5.870 -15.199 613 HB3 ALA 80 HB3 ALA 80 9.403 -4.742 -14.698 614 H SER 81 H SER 81 7.689 -6.374 -10.785 615 HA SER 81 HA SER 81 5.666 -6.689 -9.819 616 HB2 SER 81 HB2 SER 81 4.736 -5.071 -11.395 617 HB3 SER 81 HB3 SER 81 4.489 -6.347 -12.587 618 HG SER 81 HG SER 81 3.127 -7.362 -10.909 619 HA PRO 82 HA PRO 82 5.523 -11.286 -10.470 620 HB2 PRO 82 HB2 PRO 82 5.228 -10.627 -7.561 621 HB3 PRO 82 HB3 PRO 82 6.020 -12.012 -8.322 622 HG2 PRO 82 HG2 PRO 82 7.511 -10.069 -7.392 623 HG3 PRO 82 HG3 PRO 82 7.868 -10.715 -9.008 624 HD2 PRO 82 HD2 PRO 82 6.438 -8.190 -8.252 625 HD3 PRO 82 HD3 PRO 82 7.646 -8.459 -9.529 626 HA PRO 83 HA PRO 83 1.990 -13.018 -7.944 627 HB2 PRO 83 HB2 PRO 83 4.370 -13.926 -9.535 628 HB3 PRO 83 HB3 PRO 83 3.129 -14.920 -8.745 629 HG2 PRO 83 HG2 PRO 83 2.921 -13.909 -11.349 630 HG3 PRO 83 HG3 PRO 83 1.551 -14.445 -10.359 631 HD2 PRO 83 HD2 PRO 83 1.943 -11.812 -11.274 632 HD3 PRO 83 HD3 PRO 83 0.889 -12.266 -9.912 633 H THR 84 H THR 84 3.353 -10.722 -6.896 634 HA THR 84 HA THR 84 3.337 -11.568 -4.388 635 HB THR 84 HB THR 84 5.156 -13.141 -4.556 636 HG1 THR 84 HG1 THR 84 6.351 -11.009 -3.136 637 HG21 THR 84 HG21 THR 84 6.492 -12.274 -6.362 638 HG22 THR 84 HG22 THR 84 7.505 -12.386 -4.923 639 HG23 THR 84 HG23 THR 84 6.877 -10.821 -5.444 640 H ASP 85 H ASP 85 5.710 -9.613 -6.223 641 HA ASP 85 HA ASP 85 5.149 -7.356 -4.412 642 HB2 ASP 85 HB2 ASP 85 7.426 -7.797 -6.365 643 HB3 ASP 85 HB3 ASP 85 7.207 -6.339 -5.407 644 H LEU 86 H LEU 86 4.844 -5.214 -5.348 645 HA LEU 86 HA LEU 86 3.922 -5.212 -8.158 646 HB2 LEU 86 HB2 LEU 86 2.655 -3.866 -5.772 647 HB3 LEU 86 HB3 LEU 86 2.290 -3.400 -7.423 648 HG LEU 86 HG LEU 86 1.809 -6.150 -6.256 649 HD11 LEU 86 HD11 LEU 86 -0.147 -3.934 -6.884 650 HD12 LEU 86 HD12 LEU 86 0.331 -4.463 -5.272 651 HD13 LEU 86 HD13 LEU 86 -0.558 -5.558 -6.329 652 HD21 LEU 86 HD21 LEU 86 2.255 -6.190 -8.662 653 HD22 LEU 86 HD22 LEU 86 1.020 -4.956 -8.919 654 HD23 LEU 86 HD23 LEU 86 0.564 -6.552 -8.324 655 H ILE 87 H ILE 87 4.564 -3.524 -9.432 656 HA ILE 87 HA ILE 87 6.327 -1.510 -8.201 657 HB ILE 87 HB ILE 87 6.215 -2.622 -11.001 658 HG12 ILE 87 HG12 ILE 87 8.667 -2.935 -10.610 659 HG13 ILE 87 HG13 ILE 87 8.457 -2.310 -8.979 660 HG21 ILE 87 HG21 ILE 87 7.628 -0.096 -10.146 661 HG22 ILE 87 HG22 ILE 87 6.316 -0.230 -11.316 662 HG23 ILE 87 HG23 ILE 87 7.893 -0.932 -11.677 663 HD11 ILE 87 HD11 ILE 87 8.604 -4.735 -9.024 664 HD12 ILE 87 HD12 ILE 87 7.195 -4.809 -10.081 665 HD13 ILE 87 HD13 ILE 87 7.032 -4.200 -8.434 666 H TRP 88 H TRP 88 5.418 0.391 -7.832 667 HA TRP 88 HA TRP 88 3.033 1.311 -9.124 668 HB2 TRP 88 HB2 TRP 88 3.717 1.825 -6.744 669 HB3 TRP 88 HB3 TRP 88 4.947 2.903 -7.391 670 HD1 TRP 88 HD1 TRP 88 1.960 3.275 -9.495 671 HE1 TRP 88 HE1 TRP 88 0.597 5.340 -8.802 672 HE3 TRP 88 HE3 TRP 88 4.168 4.230 -4.982 673 HZ2 TRP 88 HZ2 TRP 88 0.465 7.133 -6.636 674 HZ3 TRP 88 HZ3 TRP 88 3.356 6.144 -3.660 675 HH2 TRP 88 HH2 TRP 88 1.544 7.563 -4.473 676 H LYS 89 H LYS 89 3.117 1.916 -11.215 677 HA LYS 89 HA LYS 89 5.561 2.893 -12.407 678 HB2 LYS 89 HB2 LYS 89 2.818 2.391 -13.577 679 HB3 LYS 89 HB3 LYS 89 4.237 2.831 -14.519 680 HG2 LYS 89 HG2 LYS 89 5.342 0.775 -13.910 681 HG3 LYS 89 HG3 LYS 89 4.033 0.356 -12.806 682 HD2 LYS 89 HD2 LYS 89 3.875 -0.877 -14.931 683 HD3 LYS 89 HD3 LYS 89 2.479 0.169 -14.670 684 HE2 LYS 89 HE2 LYS 89 3.457 1.845 -16.174 685 HE3 LYS 89 HE3 LYS 89 4.856 0.803 -16.429 686 HZ1 LYS 89 HZ1 LYS 89 3.186 0.675 -18.216 687 HZ2 LYS 89 HZ2 LYS 89 2.064 0.055 -17.112 688 HZ3 LYS 89 HZ3 LYS 89 3.465 -0.816 -17.474 689 H ASN 90 H ASN 90 3.123 4.477 -10.775 690 HA ASN 90 HA ASN 90 3.012 6.804 -12.536 691 HB2 ASN 90 HB2 ASN 90 1.605 6.251 -9.917 692 HB3 ASN 90 HB3 ASN 90 1.370 7.694 -10.899 693 HD21 ASN 90 HD21 ASN 90 0.372 7.489 -12.928 694 HD22 ASN 90 HD22 ASN 90 -0.620 6.121 -13.300 695 H GLN 91 H GLN 91 4.183 6.027 -9.259 696 HA GLN 91 HA GLN 91 5.623 8.608 -9.271 697 HB2 GLN 91 HB2 GLN 91 3.836 8.562 -7.558 698 HB3 GLN 91 HB3 GLN 91 4.562 7.124 -6.848 699 HG2 GLN 91 HG2 GLN 91 6.643 8.474 -6.469 700 HG3 GLN 91 HG3 GLN 91 5.736 9.896 -6.975 701 HE21 GLN 91 HE21 GLN 91 7.001 9.278 -4.436 702 HE22 GLN 91 HE22 GLN 91 5.757 9.397 -3.247 703 H ASN 92 H ASN 92 7.757 8.632 -8.638 704 HA ASN 92 HA ASN 92 9.115 6.037 -8.529 705 HB2 ASN 92 HB2 ASN 92 10.236 8.843 -8.785 706 HB3 ASN 92 HB3 ASN 92 11.182 7.358 -8.860 707 HD21 ASN 92 HD21 ASN 92 11.035 6.053 -10.684 708 HD22 ASN 92 HD22 ASN 92 10.318 6.606 -12.155 709 H SER 93 H SER 93 11.224 6.160 -7.072 710 HA SER 93 HA SER 93 10.398 6.098 -4.391 711 HB2 SER 93 HB2 SER 93 12.797 5.833 -3.844 712 HB3 SER 93 HB3 SER 93 12.311 4.795 -5.182 713 HG SER 93 HG SER 93 14.063 6.936 -5.134 714 H TRP 94 H TRP 94 9.906 7.746 -3.109 715 HA TRP 94 HA TRP 94 10.530 10.435 -3.889 716 HB2 TRP 94 HB2 TRP 94 9.155 11.068 -1.883 717 HB3 TRP 94 HB3 TRP 94 8.330 10.050 -3.055 718 HD1 TRP 94 HD1 TRP 94 9.431 10.151 0.560 719 HE1 TRP 94 HE1 TRP 94 8.531 8.081 1.793 720 HE3 TRP 94 HE3 TRP 94 7.756 7.466 -3.465 721 HZ2 TRP 94 HZ2 TRP 94 7.278 5.640 1.151 722 HZ3 TRP 94 HZ3 TRP 94 6.720 5.270 -3.060 723 HH2 TRP 94 HH2 TRP 94 6.487 4.376 -0.801 724 H GLY 95 H GLY 95 11.705 8.269 -1.371 725 HA2 GLY 95 HA2 GLY 95 13.367 8.494 0.210 726 HA3 GLY 95 HA3 GLY 95 14.178 9.395 -1.054 727 H THR 96 H THR 96 11.405 10.110 1.111 728 HA THR 96 HA THR 96 12.511 12.810 1.468 729 HB THR 96 HB THR 96 10.300 13.421 2.386 730 HG1 THR 96 HG1 THR 96 9.118 11.807 3.090 731 HG21 THR 96 HG21 THR 96 9.049 13.278 0.295 732 HG22 THR 96 HG22 THR 96 10.134 12.014 -0.285 733 HG23 THR 96 HG23 THR 96 10.743 13.649 -0.025 734 H GLY 97 H GLY 97 11.350 10.069 3.428 735 HA2 GLY 97 HA2 GLY 97 11.862 9.534 5.633 736 HA3 GLY 97 HA3 GLY 97 12.902 10.947 5.706 737 H GLU 98 H GLU 98 10.879 12.845 4.910 738 HA GLU 98 HA GLU 98 9.636 13.478 7.344 739 HB2 GLU 98 HB2 GLU 98 8.892 14.408 4.557 740 HB3 GLU 98 HB3 GLU 98 8.399 15.178 6.058 741 HG2 GLU 98 HG2 GLU 98 11.231 14.928 5.048 742 HG3 GLU 98 HG3 GLU 98 10.232 16.378 4.979 743 H ASP 99 H ASP 99 7.425 13.441 7.951 744 HA ASP 99 HA ASP 99 6.247 10.917 7.539 745 HB2 ASP 99 HB2 ASP 99 4.361 11.902 8.938 746 HB3 ASP 99 HB3 ASP 99 5.966 11.907 9.661 747 H VAL 100 H VAL 100 4.881 10.185 6.070 748 HA VAL 100 HA VAL 100 3.053 12.068 4.709 749 HB VAL 100 HB VAL 100 4.728 11.361 3.102 750 HG11 VAL 100 HG11 VAL 100 5.458 9.288 4.151 751 HG12 VAL 100 HG12 VAL 100 5.026 9.017 2.464 752 HG13 VAL 100 HG13 VAL 100 3.921 8.522 3.748 753 HG21 VAL 100 HG21 VAL 100 2.097 9.957 2.605 754 HG22 VAL 100 HG22 VAL 100 3.281 10.410 1.376 755 HG23 VAL 100 HG23 VAL 100 2.442 11.659 2.293 756 H LYS 101 H LYS 101 0.933 11.394 4.398 757 HA LYS 101 HA LYS 101 0.153 9.040 5.998 758 HB2 LYS 101 HB2 LYS 101 -0.558 11.215 6.900 759 HB3 LYS 101 HB3 LYS 101 -1.417 11.562 5.407 760 HG2 LYS 101 HG2 LYS 101 -3.056 9.932 5.839 761 HG3 LYS 101 HG3 LYS 101 -2.078 9.160 7.089 762 HD2 LYS 101 HD2 LYS 101 -3.916 10.475 8.059 763 HD3 LYS 101 HD3 LYS 101 -2.340 11.107 8.536 764 HE2 LYS 101 HE2 LYS 101 -2.568 12.806 6.702 765 HE3 LYS 101 HE3 LYS 101 -4.217 12.231 6.452 766 HZ1 LYS 101 HZ1 LYS 101 -3.142 13.410 8.956 767 HZ2 LYS 101 HZ2 LYS 101 -4.716 12.824 8.752 768 HZ3 LYS 101 HZ3 LYS 101 -4.194 14.166 7.869 769 H VAL 102 H VAL 102 -1.120 7.471 5.151 770 HA VAL 102 HA VAL 102 -2.096 7.821 2.381 771 HB VAL 102 HB VAL 102 -0.835 5.305 3.501 772 HG11 VAL 102 HG11 VAL 102 -2.506 4.810 1.816 773 HG12 VAL 102 HG12 VAL 102 -0.894 4.522 1.161 774 HG13 VAL 102 HG13 VAL 102 -1.780 5.980 0.712 775 HG21 VAL 102 HG21 VAL 102 0.848 7.054 3.202 776 HG22 VAL 102 HG22 VAL 102 0.310 7.304 1.542 777 HG23 VAL 102 HG23 VAL 102 1.054 5.775 2.007 778 H ILE 103 H ILE 103 -4.013 6.781 1.826 779 HA ILE 103 HA ILE 103 -5.566 5.534 4.016 780 HB ILE 103 HB ILE 103 -6.610 7.466 1.926 781 HG12 ILE 103 HG12 ILE 103 -5.282 8.586 3.688 782 HG13 ILE 103 HG13 ILE 103 -6.982 9.028 3.768 783 HG21 ILE 103 HG21 ILE 103 -8.047 6.078 4.191 784 HG22 ILE 103 HG22 ILE 103 -8.284 5.805 2.464 785 HG23 ILE 103 HG23 ILE 103 -8.734 7.351 3.182 786 HD11 ILE 103 HD11 ILE 103 -5.602 7.022 5.539 787 HD12 ILE 103 HD12 ILE 103 -7.300 7.498 5.633 788 HD13 ILE 103 HD13 ILE 103 -6.032 8.675 5.977 789 H LEU 104 H LEU 104 -6.821 3.755 3.462 790 HA LEU 104 HA LEU 104 -6.765 2.889 0.631 791 HB2 LEU 104 HB2 LEU 104 -6.888 1.227 3.149 792 HB3 LEU 104 HB3 LEU 104 -7.118 0.575 1.538 793 HG LEU 104 HG LEU 104 -4.586 1.841 2.604 794 HD11 LEU 104 HD11 LEU 104 -3.656 -0.415 2.371 795 HD12 LEU 104 HD12 LEU 104 -5.237 -1.018 1.876 796 HD13 LEU 104 HD13 LEU 104 -5.006 -0.382 3.505 797 HD21 LEU 104 HD21 LEU 104 -3.575 1.173 0.469 798 HD22 LEU 104 HD22 LEU 104 -4.871 2.346 0.233 799 HD23 LEU 104 HD23 LEU 104 -5.153 0.640 -0.112 800 H LYS 105 H LYS 105 -8.647 3.005 -0.384 801 HA LYS 105 HA LYS 105 -11.144 2.517 1.131 802 HB2 LYS 105 HB2 LYS 105 -10.732 4.352 -1.242 803 HB3 LYS 105 HB3 LYS 105 -12.285 3.988 -0.505 804 HG2 LYS 105 HG2 LYS 105 -11.433 4.999 1.617 805 HG3 LYS 105 HG3 LYS 105 -9.986 5.500 0.730 806 HD2 LYS 105 HD2 LYS 105 -11.392 6.773 -0.834 807 HD3 LYS 105 HD3 LYS 105 -12.832 6.271 0.051 808 HE2 LYS 105 HE2 LYS 105 -11.961 7.426 2.056 809 HE3 LYS 105 HE3 LYS 105 -10.578 7.981 1.107 810 HZ1 LYS 105 HZ1 LYS 105 -12.233 9.694 1.195 811 HZ2 LYS 105 HZ2 LYS 105 -13.434 8.644 0.631 812 HZ3 LYS 105 HZ3 LYS 105 -12.161 9.100 -0.387 813 H ASN 106 H ASN 106 -12.677 1.166 0.193 814 HA ASN 106 HA ASN 106 -11.937 -0.407 -2.103 815 HB2 ASN 106 HB2 ASN 106 -14.523 -0.231 -0.537 816 HB3 ASN 106 HB3 ASN 106 -14.269 -1.342 -1.880 817 HD21 ASN 106 HD21 ASN 106 -12.929 -3.099 -1.606 818 HD22 ASN 106 HD22 ASN 106 -12.348 -3.597 -0.062 819 H SER 107 H SER 107 -13.180 -0.497 -4.108 820 HA SER 107 HA SER 107 -13.286 2.108 -5.238 821 HB2 SER 107 HB2 SER 107 -12.514 0.101 -6.469 822 HB3 SER 107 HB3 SER 107 -14.169 -0.505 -6.489 823 HG SER 107 HG SER 107 -14.000 2.058 -7.420 824 H GLN 108 H GLN 108 -15.590 0.904 -3.318 825 HA GLN 108 HA GLN 108 -17.876 1.877 -4.872 826 HB2 GLN 108 HB2 GLN 108 -17.830 0.706 -2.082 827 HB3 GLN 108 HB3 GLN 108 -19.261 1.043 -3.046 828 HG2 GLN 108 HG2 GLN 108 -18.488 -0.632 -4.698 829 HG3 GLN 108 HG3 GLN 108 -17.141 -1.019 -3.629 830 HE21 GLN 108 HE21 GLN 108 -17.603 -2.019 -1.612 831 HE22 GLN 108 HE22 GLN 108 -19.085 -2.860 -1.353 832 H GLY 109 H GLY 109 -15.535 3.344 -3.204 833 HA2 GLY 109 HA2 GLY 109 -15.416 5.525 -2.398 834 HA3 GLY 109 HA3 GLY 109 -17.167 5.634 -2.504 835 H GLU 110 H GLU 110 -15.301 3.194 -0.751 836 HA GLU 110 HA GLU 110 -16.389 4.252 1.781 837 HB2 GLU 110 HB2 GLU 110 -16.526 1.777 2.475 838 HB3 GLU 110 HB3 GLU 110 -17.753 2.397 1.379 839 HG2 GLU 110 HG2 GLU 110 -16.411 1.458 -0.522 840 HG3 GLU 110 HG3 GLU 110 -15.375 0.687 0.679 841 H GLU 111 H GLU 111 -14.970 4.554 3.361 842 HA GLU 111 HA GLU 111 -12.163 3.913 2.853 843 HB2 GLU 111 HB2 GLU 111 -12.872 6.221 3.408 844 HB3 GLU 111 HB3 GLU 111 -13.447 5.659 4.969 845 HG2 GLU 111 HG2 GLU 111 -11.194 5.108 5.648 846 HG3 GLU 111 HG3 GLU 111 -10.577 5.524 4.048 847 H VAL 112 H VAL 112 -11.018 2.405 3.971 848 HA VAL 112 HA VAL 112 -12.300 1.175 6.339 849 HB VAL 112 HB VAL 112 -10.671 -0.252 4.222 850 HG11 VAL 112 HG11 VAL 112 -10.336 -1.240 6.421 851 HG12 VAL 112 HG12 VAL 112 -11.308 -2.310 5.411 852 HG13 VAL 112 HG13 VAL 112 -12.081 -1.340 6.666 853 HG21 VAL 112 HG21 VAL 112 -12.892 0.364 3.402 854 HG22 VAL 112 HG22 VAL 112 -13.636 -0.392 4.811 855 HG23 VAL 112 HG23 VAL 112 -12.770 -1.379 3.633 856 H ALA 113 H ALA 113 -9.086 1.182 4.724 857 HA ALA 113 HA ALA 113 -7.853 1.016 7.393 858 HB1 ALA 113 HB1 ALA 113 -7.294 -0.780 5.836 859 HB2 ALA 113 HB2 ALA 113 -5.868 0.169 6.257 860 HB3 ALA 113 HB3 ALA 113 -6.653 0.400 4.694 861 H GLN 114 H GLN 114 -6.223 2.391 8.064 862 HA GLN 114 HA GLN 114 -5.350 4.569 6.313 863 HB2 GLN 114 HB2 GLN 114 -5.850 6.278 8.030 864 HB3 GLN 114 HB3 GLN 114 -7.309 5.511 7.418 865 HG2 GLN 114 HG2 GLN 114 -7.508 4.176 9.409 866 HG3 GLN 114 HG3 GLN 114 -5.953 4.753 10.002 867 HE21 GLN 114 HE21 GLN 114 -6.436 7.502 9.173 868 HE22 GLN 114 HE22 GLN 114 -7.587 8.144 10.286 869 H ARG 115 H ARG 115 -3.258 5.260 6.745 870 HA ARG 115 HA ARG 115 -2.045 4.942 9.313 871 HB2 ARG 115 HB2 ARG 115 -1.871 2.622 8.674 872 HB3 ARG 115 HB3 ARG 115 -1.171 3.051 7.118 873 HG2 ARG 115 HG2 ARG 115 0.849 3.822 8.169 874 HG3 ARG 115 HG3 ARG 115 0.140 3.637 9.773 875 HD2 ARG 115 HD2 ARG 115 0.636 1.374 7.835 876 HD3 ARG 115 HD3 ARG 115 1.707 1.810 9.167 877 HE ARG 115 HE ARG 115 -0.958 0.604 9.392 878 HH11 ARG 115 HH11 ARG 115 1.948 1.672 10.885 879 HH12 ARG 115 HH12 ARG 115 1.599 0.898 12.386 880 HH21 ARG 115 HH21 ARG 115 -1.387 -0.412 11.331 881 HH22 ARG 115 HH22 ARG 115 -0.255 -0.275 12.632 882 H SER 116 H SER 116 -0.392 6.327 9.580 883 HA SER 116 HA SER 116 0.851 7.540 7.186 884 HB2 SER 116 HB2 SER 116 1.413 9.455 8.631 885 HB3 SER 116 HB3 SER 116 -0.324 9.151 8.637 886 HG SER 116 HG SER 116 0.618 9.529 10.741 887 H THR 117 H THR 117 3.145 7.950 7.233 888 HA THR 117 HA THR 117 4.700 5.808 8.211 889 HB THR 117 HB THR 117 6.687 7.170 7.577 890 HG1 THR 117 HG1 THR 117 5.907 9.239 8.100 891 HG21 THR 117 HG21 THR 117 4.466 7.207 5.525 892 HG22 THR 117 HG22 THR 117 5.520 5.836 5.877 893 HG23 THR 117 HG23 THR 117 6.193 7.313 5.188 894 H VAL 118 H VAL 118 4.935 5.424 10.333 895 HA VAL 118 HA VAL 118 4.915 7.353 12.371 896 HB VAL 118 HB VAL 118 4.376 5.087 12.919 897 HG11 VAL 118 HG11 VAL 118 5.968 3.246 12.837 898 HG12 VAL 118 HG12 VAL 118 7.200 4.317 12.170 899 HG13 VAL 118 HG13 VAL 118 5.748 3.951 11.235 900 HG21 VAL 118 HG21 VAL 118 5.374 6.383 14.722 901 HG22 VAL 118 HG22 VAL 118 6.987 5.859 14.239 902 HG23 VAL 118 HG23 VAL 118 5.830 4.686 14.868 903 H PHE 119 H PHE 119 6.350 9.019 12.055 904 HA PHE 119 HA PHE 119 9.114 8.694 11.509 905 HB2 PHE 119 HB2 PHE 119 9.304 11.086 12.233 906 HB3 PHE 119 HB3 PHE 119 8.077 10.805 11.005 907 HD1 PHE 119 HD1 PHE 119 5.680 10.906 11.593 908 HD2 PHE 119 HD2 PHE 119 8.715 11.881 14.427 909 HE1 PHE 119 HE1 PHE 119 4.005 12.034 13.000 910 HE2 PHE 119 HE2 PHE 119 7.040 13.006 15.833 911 HZ PHE 119 HZ PHE 119 4.682 13.085 15.121 912 H LYS 120 H LYS 120 10.869 8.520 12.835 913 HA LYS 120 HA LYS 120 10.300 8.098 15.703 914 HB2 LYS 120 HB2 LYS 120 10.626 5.970 14.563 915 HB3 LYS 120 HB3 LYS 120 12.161 6.526 13.908 916 HG2 LYS 120 HG2 LYS 120 13.120 6.611 16.137 917 HG3 LYS 120 HG3 LYS 120 11.571 6.159 16.850 918 HD2 LYS 120 HD2 LYS 120 13.253 4.464 14.994 919 HD3 LYS 120 HD3 LYS 120 13.050 4.229 16.731 920 HE2 LYS 120 HE2 LYS 120 10.626 3.880 16.365 921 HE3 LYS 120 HE3 LYS 120 10.894 4.024 14.628 922 HZ1 LYS 120 HZ1 LYS 120 12.376 2.097 14.760 923 HZ2 LYS 120 HZ2 LYS 120 10.807 1.725 15.274 924 HZ3 LYS 120 HZ3 LYS 120 12.037 1.948 16.410 925 H THR 121 H THR 121 11.603 9.039 17.161 926 HA THR 121 HA THR 121 14.244 10.044 16.313 927 HB THR 121 HB THR 121 13.956 12.018 17.798 928 HG1 THR 121 HG1 THR 121 12.314 11.247 19.166 929 HG21 THR 121 HG21 THR 121 13.524 12.279 15.405 930 HG22 THR 121 HG22 THR 121 12.427 13.290 16.348 931 HG23 THR 121 HG23 THR 121 11.848 11.783 15.640 932 H THR 122 H THR 122 15.408 8.425 17.313 933 HA THR 122 HA THR 122 15.142 8.236 20.257 934 HB THR 122 HB THR 122 15.797 5.918 18.412 935 HG1 THR 122 HG1 THR 122 13.431 6.948 19.203 936 HG21 THR 122 HG21 THR 122 16.911 5.709 20.577 937 HG22 THR 122 HG22 THR 122 15.592 4.546 20.453 938 HG23 THR 122 HG23 THR 122 15.388 6.013 21.414 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -28.294 -11.207 -29.616 2 H2 MET 1 H2 MET 1 -27.263 -9.907 -29.301 3 H3 MET 1 H3 MET 1 -28.931 -9.657 -29.380 4 HA MET 1 HA MET 1 -28.182 -9.647 -27.097 5 HB2 MET 1 HB2 MET 1 -29.811 -12.089 -27.854 6 HB3 MET 1 HB3 MET 1 -29.716 -11.414 -26.233 7 HG2 MET 1 HG2 MET 1 -30.717 -9.334 -27.033 8 HG3 MET 1 HG3 MET 1 -30.799 -10.001 -28.663 9 HE1 MET 1 HE1 MET 1 -33.299 -8.744 -27.123 10 HE2 MET 1 HE2 MET 1 -34.553 -9.910 -27.543 11 HE3 MET 1 HE3 MET 1 -33.384 -9.396 -28.758 12 H GLY 2 H GLY 2 -26.610 -10.241 -25.735 13 HA2 GLY 2 HA2 GLY 2 -25.756 -12.906 -25.307 14 HA3 GLY 2 HA3 GLY 2 -24.624 -12.105 -26.386 15 H HIS 3 H HIS 3 -26.400 -10.818 -23.571 16 HA HIS 3 HA HIS 3 -23.832 -10.008 -22.389 17 HB2 HIS 3 HB2 HIS 3 -26.667 -9.266 -21.612 18 HB3 HIS 3 HB3 HIS 3 -25.211 -8.643 -20.845 19 HD1 HIS 3 HD1 HIS 3 -27.526 -7.982 -23.572 20 HD2 HIS 3 HD2 HIS 3 -23.587 -7.029 -22.666 21 HE1 HIS 3 HE1 HIS 3 -26.943 -6.059 -25.070 22 HE2 HIS 3 HE2 HIS 3 -24.518 -5.595 -24.606 23 H HIS 4 H HIS 4 -23.002 -11.826 -21.411 24 HA HIS 4 HA HIS 4 -24.682 -13.685 -19.992 25 HB2 HIS 4 HB2 HIS 4 -21.672 -13.530 -20.270 26 HB3 HIS 4 HB3 HIS 4 -22.533 -14.851 -19.486 27 HD1 HIS 4 HD1 HIS 4 -22.837 -16.791 -20.976 28 HD2 HIS 4 HD2 HIS 4 -22.760 -13.227 -23.109 29 HE1 HIS 4 HE1 HIS 4 -23.080 -17.442 -23.387 30 HE2 HIS 4 HE2 HIS 4 -22.784 -15.295 -24.655 31 H HIS 5 H HIS 5 -25.060 -13.855 -17.876 32 HA HIS 5 HA HIS 5 -23.549 -12.151 -15.985 33 HB2 HIS 5 HB2 HIS 5 -26.495 -12.856 -15.822 34 HB3 HIS 5 HB3 HIS 5 -25.606 -11.826 -14.705 35 HD1 HIS 5 HD1 HIS 5 -27.980 -11.447 -17.210 36 HD2 HIS 5 HD2 HIS 5 -24.326 -9.593 -16.502 37 HE1 HIS 5 HE1 HIS 5 -28.076 -9.275 -18.458 38 HE2 HIS 5 HE2 HIS 5 -25.820 -8.219 -18.108 39 H HIS 6 H HIS 6 -22.795 -13.171 -14.142 40 HA HIS 6 HA HIS 6 -23.289 -16.077 -14.018 41 HB2 HIS 6 HB2 HIS 6 -21.027 -14.504 -12.760 42 HB3 HIS 6 HB3 HIS 6 -21.179 -16.256 -12.812 43 HD1 HIS 6 HD1 HIS 6 -19.358 -13.707 -14.377 44 HD2 HIS 6 HD2 HIS 6 -21.372 -17.059 -15.792 45 HE1 HIS 6 HE1 HIS 6 -18.401 -14.155 -16.653 46 HE2 HIS 6 HE2 HIS 6 -19.523 -16.267 -17.424 47 H HIS 7 H HIS 7 -22.226 -13.802 -11.479 48 HA HIS 7 HA HIS 7 -24.603 -13.957 -9.932 49 HB2 HIS 7 HB2 HIS 7 -23.941 -15.446 -8.161 50 HB3 HIS 7 HB3 HIS 7 -23.754 -16.318 -9.678 51 HD1 HIS 7 HD1 HIS 7 -22.072 -15.839 -6.614 52 HD2 HIS 7 HD2 HIS 7 -20.831 -16.031 -10.577 53 HE1 HIS 7 HE1 HIS 7 -19.610 -16.331 -6.524 54 HE2 HIS 7 HE2 HIS 7 -18.888 -16.491 -8.932 55 H HIS 8 H HIS 8 -24.316 -12.993 -7.744 56 HA HIS 8 HA HIS 8 -21.984 -11.184 -7.657 57 HB2 HIS 8 HB2 HIS 8 -23.350 -9.830 -6.053 58 HB3 HIS 8 HB3 HIS 8 -24.067 -9.967 -7.654 59 HD1 HIS 8 HD1 HIS 8 -24.453 -11.446 -4.176 60 HD2 HIS 8 HD2 HIS 8 -26.628 -10.920 -7.679 61 HE1 HIS 8 HE1 HIS 8 -26.789 -12.174 -3.632 62 HE2 HIS 8 HE2 HIS 8 -28.011 -12.073 -5.825 63 H SER 9 H SER 9 -20.831 -10.892 -5.654 64 HA SER 9 HA SER 9 -21.282 -12.843 -3.533 65 HB2 SER 9 HB2 SER 9 -19.921 -14.069 -5.218 66 HB3 SER 9 HB3 SER 9 -18.679 -12.825 -5.095 67 HG SER 9 HG SER 9 -17.932 -14.097 -3.589 68 H HIS 10 H HIS 10 -19.524 -12.602 -1.786 69 HA HIS 10 HA HIS 10 -19.080 -9.708 -1.398 70 HB2 HIS 10 HB2 HIS 10 -19.416 -11.938 0.621 71 HB3 HIS 10 HB3 HIS 10 -19.043 -10.268 1.039 72 HD1 HIS 10 HD1 HIS 10 -20.974 -8.684 1.242 73 HD2 HIS 10 HD2 HIS 10 -22.045 -12.268 -0.572 74 HE1 HIS 10 HE1 HIS 10 -23.471 -8.598 1.006 75 HE2 HIS 10 HE2 HIS 10 -24.106 -10.833 0.047 76 H MET 11 H MET 11 -17.081 -8.911 -1.002 77 HA MET 11 HA MET 11 -14.818 -10.712 -1.356 78 HB2 MET 11 HB2 MET 11 -14.924 -7.694 -1.135 79 HB3 MET 11 HB3 MET 11 -13.486 -8.632 -1.508 80 HG2 MET 11 HG2 MET 11 -15.976 -8.601 -3.208 81 HG3 MET 11 HG3 MET 11 -14.576 -7.567 -3.475 82 HE1 MET 11 HE1 MET 11 -16.257 -10.892 -4.238 83 HE2 MET 11 HE2 MET 11 -15.338 -11.472 -2.847 84 HE3 MET 11 HE3 MET 11 -14.936 -12.038 -4.467 85 H THR 12 H THR 12 -14.135 -11.741 0.443 86 HA THR 12 HA THR 12 -14.185 -10.407 3.044 87 HB THR 12 HB THR 12 -13.476 -12.587 3.962 88 HG1 THR 12 HG1 THR 12 -13.782 -14.225 1.935 89 HG21 THR 12 HG21 THR 12 -15.495 -13.864 3.409 90 HG22 THR 12 HG22 THR 12 -15.775 -12.830 2.007 91 HG23 THR 12 HG23 THR 12 -15.876 -12.157 3.634 92 H GLY 13 H GLY 13 -12.116 -10.286 0.549 93 HA2 GLY 13 HA2 GLY 13 -9.586 -10.776 1.807 94 HA3 GLY 13 HA3 GLY 13 -9.846 -9.978 0.265 95 H ASN 14 H ASN 14 -9.824 -9.498 3.757 96 HA ASN 14 HA ASN 14 -9.799 -6.601 3.510 97 HB2 ASN 14 HB2 ASN 14 -10.978 -7.685 5.383 98 HB3 ASN 14 HB3 ASN 14 -9.459 -8.363 5.954 99 HD21 ASN 14 HD21 ASN 14 -7.906 -6.967 6.856 100 HD22 ASN 14 HD22 ASN 14 -8.341 -5.399 7.443 101 H VAL 15 H VAL 15 -7.914 -6.058 2.442 102 HA VAL 15 HA VAL 15 -5.349 -6.821 3.678 103 HB VAL 15 HB VAL 15 -5.827 -5.473 1.005 104 HG11 VAL 15 HG11 VAL 15 -3.337 -6.700 2.200 105 HG12 VAL 15 HG12 VAL 15 -3.621 -4.986 1.892 106 HG13 VAL 15 HG13 VAL 15 -3.488 -6.114 0.543 107 HG21 VAL 15 HG21 VAL 15 -5.249 -8.377 1.616 108 HG22 VAL 15 HG22 VAL 15 -5.323 -7.661 0.005 109 HG23 VAL 15 HG23 VAL 15 -6.770 -7.724 1.011 110 H CYS 16 H CYS 16 -4.175 -5.360 4.802 111 HA CYS 16 HA CYS 16 -4.778 -2.486 4.500 112 HB2 CYS 16 HB2 CYS 16 -4.712 -2.180 6.935 113 HB3 CYS 16 HB3 CYS 16 -5.996 -3.293 6.476 114 HG CYS 16 HG CYS 16 -3.518 -5.231 7.008 115 H ILE 17 H ILE 17 -3.069 -1.050 5.209 116 HA ILE 17 HA ILE 17 -0.514 -1.869 4.359 117 HB ILE 17 HB ILE 17 -1.306 0.574 5.957 118 HG12 ILE 17 HG12 ILE 17 -0.829 0.193 2.985 119 HG13 ILE 17 HG13 ILE 17 -2.404 0.375 3.750 120 HG21 ILE 17 HG21 ILE 17 0.817 1.559 5.200 121 HG22 ILE 17 HG22 ILE 17 1.259 0.024 4.451 122 HG23 ILE 17 HG23 ILE 17 1.086 0.133 6.204 123 HD11 ILE 17 HD11 ILE 17 -0.225 2.448 3.701 124 HD12 ILE 17 HD12 ILE 17 -1.816 2.630 4.439 125 HD13 ILE 17 HD13 ILE 17 -1.672 2.433 2.695 126 H GLU 18 H GLU 18 0.971 -3.044 5.377 127 HA GLU 18 HA GLU 18 0.907 -3.668 8.155 128 HB2 GLU 18 HB2 GLU 18 1.894 -5.193 6.505 129 HB3 GLU 18 HB3 GLU 18 3.126 -4.000 6.113 130 HG2 GLU 18 HG2 GLU 18 3.998 -4.166 8.404 131 HG3 GLU 18 HG3 GLU 18 2.779 -5.386 8.771 132 H GLU 19 H GLU 19 3.246 -1.789 6.223 133 HA GLU 19 HA GLU 19 3.186 0.508 7.776 134 HB2 GLU 19 HB2 GLU 19 4.239 -1.026 9.491 135 HB3 GLU 19 HB3 GLU 19 5.638 -1.149 8.432 136 HG2 GLU 19 HG2 GLU 19 6.234 1.093 8.763 137 HG3 GLU 19 HG3 GLU 19 4.637 1.520 9.376 138 H ILE 20 H ILE 20 4.920 2.060 7.172 139 HA ILE 20 HA ILE 20 5.674 1.643 4.370 140 HB ILE 20 HB ILE 20 5.669 4.182 6.027 141 HG12 ILE 20 HG12 ILE 20 3.668 3.174 3.977 142 HG13 ILE 20 HG13 ILE 20 3.409 3.251 5.717 143 HG21 ILE 20 HG21 ILE 20 7.251 4.296 4.167 144 HG22 ILE 20 HG22 ILE 20 5.872 5.358 3.886 145 HG23 ILE 20 HG23 ILE 20 5.980 3.813 3.042 146 HD11 ILE 20 HD11 ILE 20 2.298 5.079 4.606 147 HD12 ILE 20 HD12 ILE 20 3.815 5.595 3.871 148 HD13 ILE 20 HD13 ILE 20 3.600 5.694 5.620 149 H ASP 21 H ASP 21 7.805 2.152 3.590 150 HA ASP 21 HA ASP 21 9.964 1.290 5.151 151 HB2 ASP 21 HB2 ASP 21 10.060 1.209 2.733 152 HB3 ASP 21 HB3 ASP 21 9.921 2.963 2.630 153 H VAL 22 H VAL 22 11.709 2.376 6.105 154 HA VAL 22 HA VAL 22 11.002 4.683 7.593 155 HB VAL 22 HB VAL 22 12.506 2.959 8.478 156 HG11 VAL 22 HG11 VAL 22 14.515 3.989 6.472 157 HG12 VAL 22 HG12 VAL 22 13.736 2.406 6.452 158 HG13 VAL 22 HG13 VAL 22 14.845 2.828 7.758 159 HG21 VAL 22 HG21 VAL 22 14.176 4.440 9.513 160 HG22 VAL 22 HG22 VAL 22 12.576 5.186 9.479 161 HG23 VAL 22 HG23 VAL 22 13.807 5.687 8.320 162 H ASP 23 H ASP 23 12.778 4.262 4.602 163 HA ASP 23 HA ASP 23 13.642 7.062 4.590 164 HB2 ASP 23 HB2 ASP 23 15.205 5.272 3.851 165 HB3 ASP 23 HB3 ASP 23 14.107 4.880 2.535 166 H GLY 24 H GLY 24 11.375 4.905 2.979 167 HA2 GLY 24 HA2 GLY 24 9.213 5.937 2.375 168 HA3 GLY 24 HA3 GLY 24 10.130 7.255 1.667 169 H LYS 25 H LYS 25 11.527 4.196 1.096 170 HA LYS 25 HA LYS 25 11.239 4.539 -1.715 171 HB2 LYS 25 HB2 LYS 25 12.327 2.201 -0.139 172 HB3 LYS 25 HB3 LYS 25 12.478 2.393 -1.881 173 HG2 LYS 25 HG2 LYS 25 13.738 4.502 -1.489 174 HG3 LYS 25 HG3 LYS 25 13.668 4.171 0.245 175 HD2 LYS 25 HD2 LYS 25 14.893 2.086 -0.084 176 HD3 LYS 25 HD3 LYS 25 14.919 2.353 -1.828 177 HE2 LYS 25 HE2 LYS 25 17.057 2.961 -0.840 178 HE3 LYS 25 HE3 LYS 25 16.250 4.390 -1.487 179 HZ1 LYS 25 HZ1 LYS 25 17.236 4.782 0.701 180 HZ2 LYS 25 HZ2 LYS 25 16.250 3.580 1.370 181 HZ3 LYS 25 HZ3 LYS 25 15.559 4.987 0.730 182 H PHE 26 H PHE 26 9.400 2.655 0.595 183 HA PHE 26 HA PHE 26 7.555 1.838 -1.463 184 HB2 PHE 26 HB2 PHE 26 7.778 -0.612 -0.995 185 HB3 PHE 26 HB3 PHE 26 9.164 0.095 -1.814 186 HD1 PHE 26 HD1 PHE 26 7.943 -1.354 1.340 187 HD2 PHE 26 HD2 PHE 26 11.319 0.248 -0.718 188 HE1 PHE 26 HE1 PHE 26 9.432 -2.247 3.085 189 HE2 PHE 26 HE2 PHE 26 12.804 -0.646 1.024 190 HZ PHE 26 HZ PHE 26 11.863 -1.894 2.929 191 H ILE 27 H ILE 27 5.655 0.745 -0.682 192 HA ILE 27 HA ILE 27 5.190 0.971 2.240 193 HB ILE 27 HB ILE 27 3.177 1.524 0.037 194 HG12 ILE 27 HG12 ILE 27 4.502 3.446 1.976 195 HG13 ILE 27 HG13 ILE 27 4.865 3.317 0.258 196 HG21 ILE 27 HG21 ILE 27 2.888 1.782 3.036 197 HG22 ILE 27 HG22 ILE 27 2.155 0.531 2.032 198 HG23 ILE 27 HG23 ILE 27 1.670 2.214 1.834 199 HD11 ILE 27 HD11 ILE 27 3.443 5.217 0.696 200 HD12 ILE 27 HD12 ILE 27 2.240 4.176 1.458 201 HD13 ILE 27 HD13 ILE 27 2.579 4.020 -0.266 202 H ARG 28 H ARG 28 4.782 -1.024 3.116 203 HA ARG 28 HA ARG 28 3.910 -3.170 1.304 204 HB2 ARG 28 HB2 ARG 28 5.966 -3.580 2.572 205 HB3 ARG 28 HB3 ARG 28 5.094 -3.342 4.082 206 HG2 ARG 28 HG2 ARG 28 3.697 -5.298 3.577 207 HG3 ARG 28 HG3 ARG 28 4.589 -5.541 2.075 208 HD2 ARG 28 HD2 ARG 28 5.816 -5.592 4.835 209 HD3 ARG 28 HD3 ARG 28 5.319 -7.022 3.935 210 HE ARG 28 HE ARG 28 7.426 -5.174 3.005 211 HH11 ARG 28 HH11 ARG 28 6.147 -8.336 3.415 212 HH12 ARG 28 HH12 ARG 28 7.540 -9.111 2.743 213 HH21 ARG 28 HH21 ARG 28 9.212 -6.177 2.130 214 HH22 ARG 28 HH22 ARG 28 9.258 -7.903 2.034 215 H LEU 29 H LEU 29 1.980 -4.162 1.457 216 HA LEU 29 HA LEU 29 0.209 -3.485 3.725 217 HB2 LEU 29 HB2 LEU 29 -0.459 -4.314 0.892 218 HB3 LEU 29 HB3 LEU 29 -1.651 -4.210 2.173 219 HG LEU 29 HG LEU 29 -1.028 -1.763 2.408 220 HD11 LEU 29 HD11 LEU 29 1.126 -1.783 1.315 221 HD12 LEU 29 HD12 LEU 29 0.030 -0.695 0.465 222 HD13 LEU 29 HD13 LEU 29 0.384 -2.290 -0.203 223 HD21 LEU 29 HD21 LEU 29 -3.075 -2.497 1.303 224 HD22 LEU 29 HD22 LEU 29 -2.205 -2.667 -0.222 225 HD23 LEU 29 HD23 LEU 29 -2.402 -1.075 0.509 226 H LYS 30 H LYS 30 -0.600 -5.073 5.003 227 HA LYS 30 HA LYS 30 0.123 -7.860 4.382 228 HB2 LYS 30 HB2 LYS 30 0.939 -6.994 6.535 229 HB3 LYS 30 HB3 LYS 30 -0.708 -6.599 7.010 230 HG2 LYS 30 HG2 LYS 30 -1.259 -9.038 6.839 231 HG3 LYS 30 HG3 LYS 30 0.458 -9.348 6.573 232 HD2 LYS 30 HD2 LYS 30 -0.705 -7.985 9.011 233 HD3 LYS 30 HD3 LYS 30 -0.250 -9.686 8.927 234 HE2 LYS 30 HE2 LYS 30 1.650 -7.380 8.481 235 HE3 LYS 30 HE3 LYS 30 1.462 -8.246 10.004 236 HZ1 LYS 30 HZ1 LYS 30 2.239 -10.246 8.977 237 HZ2 LYS 30 HZ2 LYS 30 3.355 -9.017 8.657 238 HZ3 LYS 30 HZ3 LYS 30 2.284 -9.518 7.454 239 H ASN 31 H ASN 31 -1.400 -9.403 4.059 240 HA ASN 31 HA ASN 31 -4.199 -8.668 3.969 241 HB2 ASN 31 HB2 ASN 31 -3.275 -10.111 2.220 242 HB3 ASN 31 HB3 ASN 31 -2.814 -11.312 3.427 243 HD21 ASN 31 HD21 ASN 31 -4.084 -12.917 2.547 244 HD22 ASN 31 HD22 ASN 31 -5.807 -12.886 2.598 245 H THR 32 H THR 32 -5.276 -8.556 5.867 246 HA THR 32 HA THR 32 -4.600 -10.408 8.043 247 HB THR 32 HB THR 32 -5.984 -8.953 9.481 248 HG1 THR 32 HG1 THR 32 -6.751 -6.961 8.540 249 HG21 THR 32 HG21 THR 32 -4.556 -6.947 9.401 250 HG22 THR 32 HG22 THR 32 -3.965 -7.436 7.813 251 HG23 THR 32 HG23 THR 32 -3.608 -8.424 9.230 252 H SER 33 H SER 33 -6.340 -10.920 5.534 253 HA SER 33 HA SER 33 -8.968 -11.490 6.471 254 HB2 SER 33 HB2 SER 33 -7.477 -12.632 4.090 255 HB3 SER 33 HB3 SER 33 -9.209 -12.792 4.378 256 HG SER 33 HG SER 33 -7.776 -10.675 3.390 257 H GLU 34 H GLU 34 -9.937 -13.633 6.664 258 HA GLU 34 HA GLU 34 -8.405 -15.374 8.351 259 HB2 GLU 34 HB2 GLU 34 -11.188 -15.670 7.199 260 HB3 GLU 34 HB3 GLU 34 -10.493 -16.724 8.427 261 HG2 GLU 34 HG2 GLU 34 -10.379 -14.911 10.002 262 HG3 GLU 34 HG3 GLU 34 -10.871 -13.752 8.768 263 H GLN 35 H GLN 35 -9.215 -15.353 4.960 264 HA GLN 35 HA GLN 35 -7.677 -17.827 4.597 265 HB2 GLN 35 HB2 GLN 35 -10.142 -18.353 4.572 266 HB3 GLN 35 HB3 GLN 35 -10.297 -17.317 3.160 267 HG2 GLN 35 HG2 GLN 35 -8.653 -18.797 1.988 268 HG3 GLN 35 HG3 GLN 35 -8.720 -19.879 3.378 269 HE21 GLN 35 HE21 GLN 35 -9.454 -20.408 0.624 270 HE22 GLN 35 HE22 GLN 35 -11.116 -20.878 0.653 271 H ASP 36 H ASP 36 -7.055 -18.139 2.257 272 HA ASP 36 HA ASP 36 -5.857 -15.794 1.217 273 HB2 ASP 36 HB2 ASP 36 -6.278 -18.392 -0.275 274 HB3 ASP 36 HB3 ASP 36 -4.994 -17.209 -0.512 275 H GLN 37 H GLN 37 -6.836 -14.219 0.069 276 HA GLN 37 HA GLN 37 -9.016 -14.921 -1.795 277 HB2 GLN 37 HB2 GLN 37 -9.035 -12.728 0.286 278 HB3 GLN 37 HB3 GLN 37 -10.134 -12.741 -1.084 279 HG2 GLN 37 HG2 GLN 37 -9.950 -14.952 0.957 280 HG3 GLN 37 HG3 GLN 37 -11.103 -13.621 1.030 281 HE21 GLN 37 HE21 GLN 37 -10.203 -16.534 -0.642 282 HE22 GLN 37 HE22 GLN 37 -11.682 -16.726 -1.511 283 HA PRO 38 HA PRO 38 -6.800 -12.334 -4.726 284 HB2 PRO 38 HB2 PRO 38 -9.493 -11.708 -5.822 285 HB3 PRO 38 HB3 PRO 38 -8.082 -12.403 -6.627 286 HG2 PRO 38 HG2 PRO 38 -10.194 -13.921 -6.027 287 HG3 PRO 38 HG3 PRO 38 -8.541 -14.551 -5.878 288 HD2 PRO 38 HD2 PRO 38 -10.394 -13.561 -3.732 289 HD3 PRO 38 HD3 PRO 38 -9.313 -14.973 -3.720 290 H MET 39 H MET 39 -6.368 -10.141 -5.071 291 HA MET 39 HA MET 39 -6.896 -8.385 -2.983 292 HB2 MET 39 HB2 MET 39 -5.022 -8.255 -4.675 293 HB3 MET 39 HB3 MET 39 -6.171 -7.536 -5.796 294 HG2 MET 39 HG2 MET 39 -4.831 -5.826 -4.719 295 HG3 MET 39 HG3 MET 39 -6.521 -5.680 -4.232 296 HE1 MET 39 HE1 MET 39 -4.070 -4.277 -2.683 297 HE2 MET 39 HE2 MET 39 -4.546 -4.569 -1.010 298 HE3 MET 39 HE3 MET 39 -5.756 -4.096 -2.201 299 H GLY 40 H GLY 40 -8.365 -8.349 -6.238 300 HA2 GLY 40 HA2 GLY 40 -10.559 -7.785 -6.799 301 HA3 GLY 40 HA3 GLY 40 -10.828 -7.277 -5.142 302 H GLY 41 H GLY 41 -11.267 -5.175 -4.970 303 HA2 GLY 41 HA2 GLY 41 -10.016 -3.296 -6.892 304 HA3 GLY 41 HA3 GLY 41 -11.704 -3.179 -6.432 305 H TRP 42 H TRP 42 -8.570 -2.151 -5.761 306 HA TRP 42 HA TRP 42 -9.494 -0.702 -3.368 307 HB2 TRP 42 HB2 TRP 42 -6.805 -2.077 -3.675 308 HB3 TRP 42 HB3 TRP 42 -7.220 -0.980 -2.365 309 HD1 TRP 42 HD1 TRP 42 -8.334 -4.423 -3.763 310 HE1 TRP 42 HE1 TRP 42 -9.153 -5.856 -1.791 311 HE3 TRP 42 HE3 TRP 42 -7.961 -0.945 -0.038 312 HZ2 TRP 42 HZ2 TRP 42 -9.580 -5.544 0.997 313 HZ3 TRP 42 HZ3 TRP 42 -8.585 -1.589 2.250 314 HH2 TRP 42 HH2 TRP 42 -9.379 -3.842 2.757 315 H GLU 43 H GLU 43 -8.133 1.240 -2.916 316 HA GLU 43 HA GLU 43 -6.409 2.168 -5.074 317 HB2 GLU 43 HB2 GLU 43 -8.640 2.908 -5.790 318 HB3 GLU 43 HB3 GLU 43 -8.878 3.723 -4.248 319 HG2 GLU 43 HG2 GLU 43 -7.055 5.256 -4.752 320 HG3 GLU 43 HG3 GLU 43 -6.741 4.411 -6.266 321 H MET 44 H MET 44 -4.637 2.869 -4.106 322 HA MET 44 HA MET 44 -4.704 3.876 -1.363 323 HB2 MET 44 HB2 MET 44 -2.994 2.278 -1.725 324 HB3 MET 44 HB3 MET 44 -2.491 3.031 -3.233 325 HG2 MET 44 HG2 MET 44 -1.578 4.917 -2.031 326 HG3 MET 44 HG3 MET 44 -2.171 4.264 -0.506 327 HE1 MET 44 HE1 MET 44 -1.593 1.277 -0.552 328 HE2 MET 44 HE2 MET 44 -1.061 2.275 0.799 329 HE3 MET 44 HE3 MET 44 0.062 1.143 0.045 330 H ILE 45 H ILE 45 -4.957 6.014 -1.019 331 HA ILE 45 HA ILE 45 -3.901 7.925 -3.005 332 HB ILE 45 HB ILE 45 -5.823 8.421 -0.715 333 HG12 ILE 45 HG12 ILE 45 -6.331 8.233 -3.703 334 HG13 ILE 45 HG13 ILE 45 -6.803 7.028 -2.511 335 HG21 ILE 45 HG21 ILE 45 -6.175 10.621 -1.759 336 HG22 ILE 45 HG22 ILE 45 -4.927 10.253 -2.950 337 HG23 ILE 45 HG23 ILE 45 -4.503 10.405 -1.245 338 HD11 ILE 45 HD11 ILE 45 -8.691 8.384 -3.160 339 HD12 ILE 45 HD12 ILE 45 -7.832 9.850 -2.687 340 HD13 ILE 45 HD13 ILE 45 -8.292 8.664 -1.465 341 H ARG 46 H ARG 46 -1.789 8.325 -2.533 342 HA ARG 46 HA ARG 46 -0.905 8.488 0.243 343 HB2 ARG 46 HB2 ARG 46 0.351 7.282 -1.665 344 HB3 ARG 46 HB3 ARG 46 0.844 8.890 -2.182 345 HG2 ARG 46 HG2 ARG 46 1.811 9.243 0.102 346 HG3 ARG 46 HG3 ARG 46 1.454 7.552 0.453 347 HD2 ARG 46 HD2 ARG 46 3.677 7.480 -0.209 348 HD3 ARG 46 HD3 ARG 46 2.826 7.067 -1.699 349 HE ARG 46 HE ARG 46 3.774 9.804 -1.148 350 HH11 ARG 46 HH11 ARG 46 3.527 7.080 -3.246 351 HH12 ARG 46 HH12 ARG 46 4.385 7.859 -4.529 352 HH21 ARG 46 HH21 ARG 46 4.900 10.781 -2.809 353 HH22 ARG 46 HH22 ARG 46 5.139 9.913 -4.281 354 H LYS 47 H LYS 47 -0.839 10.354 1.312 355 HA LYS 47 HA LYS 47 -0.701 12.892 -0.190 356 HB2 LYS 47 HB2 LYS 47 -1.618 12.366 2.653 357 HB3 LYS 47 HB3 LYS 47 -1.633 13.929 1.842 358 HG2 LYS 47 HG2 LYS 47 -3.247 13.095 0.216 359 HG3 LYS 47 HG3 LYS 47 -3.204 11.502 0.973 360 HD2 LYS 47 HD2 LYS 47 -5.173 12.710 1.708 361 HD3 LYS 47 HD3 LYS 47 -4.064 12.496 3.063 362 HE2 LYS 47 HE2 LYS 47 -4.995 14.747 3.060 363 HE3 LYS 47 HE3 LYS 47 -3.259 14.795 2.762 364 HZ1 LYS 47 HZ1 LYS 47 -4.637 16.269 1.318 365 HZ2 LYS 47 HZ2 LYS 47 -5.281 14.884 0.594 366 HZ3 LYS 47 HZ3 LYS 47 -3.625 15.209 0.473 367 H ILE 48 H ILE 48 1.266 13.795 -0.261 368 HA ILE 48 HA ILE 48 2.951 13.872 2.128 369 HB ILE 48 HB ILE 48 3.593 11.784 0.963 370 HG12 ILE 48 HG12 ILE 48 5.284 13.350 2.184 371 HG13 ILE 48 HG13 ILE 48 5.899 12.013 1.225 372 HG21 ILE 48 HG21 ILE 48 4.313 13.583 -1.345 373 HG22 ILE 48 HG22 ILE 48 3.040 12.363 -1.308 374 HG23 ILE 48 HG23 ILE 48 4.732 11.873 -1.219 375 HD11 ILE 48 HD11 ILE 48 7.214 14.017 0.888 376 HD12 ILE 48 HD12 ILE 48 5.776 14.897 0.371 377 HD13 ILE 48 HD13 ILE 48 6.391 13.563 -0.603 378 H GLY 49 H GLY 49 4.193 15.715 2.247 379 HA2 GLY 49 HA2 GLY 49 4.888 17.855 1.751 380 HA3 GLY 49 HA3 GLY 49 5.207 17.233 0.141 381 H ASP 50 H ASP 50 2.067 17.447 1.696 382 HA ASP 50 HA ASP 50 0.179 18.615 1.317 383 HB2 ASP 50 HB2 ASP 50 1.656 20.605 1.543 384 HB3 ASP 50 HB3 ASP 50 1.882 20.599 -0.203 385 H THR 51 H THR 51 1.893 17.176 -1.167 386 HA THR 51 HA THR 51 -0.300 17.609 -3.097 387 HB THR 51 HB THR 51 1.925 17.967 -4.053 388 HG1 THR 51 HG1 THR 51 1.654 16.562 -5.832 389 HG21 THR 51 HG21 THR 51 3.499 16.100 -4.342 390 HG22 THR 51 HG22 THR 51 2.458 15.068 -3.359 391 HG23 THR 51 HG23 THR 51 3.248 16.469 -2.636 392 H SER 52 H SER 52 -0.710 15.504 -4.480 393 HA SER 52 HA SER 52 -0.863 13.156 -2.715 394 HB2 SER 52 HB2 SER 52 -3.242 12.824 -3.185 395 HB3 SER 52 HB3 SER 52 -2.986 14.393 -2.420 396 HG SER 52 HG SER 52 -3.539 13.823 -5.145 397 H VAL 53 H VAL 53 -1.078 11.181 -3.736 398 HA VAL 53 HA VAL 53 -1.377 11.044 -6.629 399 HB VAL 53 HB VAL 53 1.035 11.286 -6.406 400 HG11 VAL 53 HG11 VAL 53 2.398 9.647 -5.182 401 HG12 VAL 53 HG12 VAL 53 0.926 8.897 -4.563 402 HG13 VAL 53 HG13 VAL 53 1.329 10.555 -4.111 403 HG21 VAL 53 HG21 VAL 53 0.261 9.827 -8.175 404 HG22 VAL 53 HG22 VAL 53 0.225 8.451 -7.068 405 HG23 VAL 53 HG23 VAL 53 1.763 9.194 -7.505 406 H SER 54 H SER 54 -2.530 9.257 -7.214 407 HA SER 54 HA SER 54 -3.202 7.361 -5.057 408 HB2 SER 54 HB2 SER 54 -5.302 6.947 -6.228 409 HB3 SER 54 HB3 SER 54 -5.091 8.679 -5.966 410 HG SER 54 HG SER 54 -5.766 8.341 -8.075 411 H TYR 55 H TYR 55 -3.292 5.150 -5.416 412 HA TYR 55 HA TYR 55 -2.244 4.146 -7.981 413 HB2 TYR 55 HB2 TYR 55 -0.505 4.063 -6.177 414 HB3 TYR 55 HB3 TYR 55 -1.565 2.996 -5.260 415 HD1 TYR 55 HD1 TYR 55 0.062 3.271 -8.611 416 HD2 TYR 55 HD2 TYR 55 -1.330 0.684 -5.525 417 HE1 TYR 55 HE1 TYR 55 1.006 1.345 -9.808 418 HE2 TYR 55 HE2 TYR 55 -0.386 -1.249 -6.717 419 HH TYR 55 HH TYR 55 1.760 -0.907 -9.368 420 H LYS 56 H LYS 56 -3.834 3.053 -8.928 421 HA LYS 56 HA LYS 56 -5.984 1.862 -7.379 422 HB2 LYS 56 HB2 LYS 56 -6.494 3.138 -9.392 423 HB3 LYS 56 HB3 LYS 56 -5.515 2.049 -10.361 424 HG2 LYS 56 HG2 LYS 56 -7.068 0.243 -10.004 425 HG3 LYS 56 HG3 LYS 56 -7.993 1.216 -8.856 426 HD2 LYS 56 HD2 LYS 56 -9.029 1.108 -11.119 427 HD3 LYS 56 HD3 LYS 56 -8.654 2.751 -10.598 428 HE2 LYS 56 HE2 LYS 56 -6.536 2.610 -11.924 429 HE3 LYS 56 HE3 LYS 56 -7.084 1.053 -12.539 430 HZ1 LYS 56 HZ1 LYS 56 -7.578 2.862 -14.061 431 HZ2 LYS 56 HZ2 LYS 56 -8.512 3.631 -12.881 432 HZ3 LYS 56 HZ3 LYS 56 -8.997 2.136 -13.506 433 H TYR 57 H TYR 57 -6.143 -0.217 -6.832 434 HA TYR 57 HA TYR 57 -4.029 -2.056 -7.598 435 HB2 TYR 57 HB2 TYR 57 -6.304 -2.292 -5.618 436 HB3 TYR 57 HB3 TYR 57 -5.118 -3.562 -5.902 437 HD1 TYR 57 HD1 TYR 57 -5.447 -0.018 -4.816 438 HD2 TYR 57 HD2 TYR 57 -3.064 -3.542 -4.760 439 HE1 TYR 57 HE1 TYR 57 -3.946 1.026 -3.178 440 HE2 TYR 57 HE2 TYR 57 -1.557 -2.503 -3.127 441 HH TYR 57 HH TYR 57 -0.912 -0.166 -2.449 442 H THR 58 H THR 58 -4.649 -4.394 -7.947 443 HA THR 58 HA THR 58 -7.066 -4.728 -9.581 444 HB THR 58 HB THR 58 -5.520 -4.256 -11.303 445 HG1 THR 58 HG1 THR 58 -6.285 -5.990 -12.244 446 HG21 THR 58 HG21 THR 58 -3.556 -6.142 -9.979 447 HG22 THR 58 HG22 THR 58 -3.454 -4.381 -9.976 448 HG23 THR 58 HG23 THR 58 -3.301 -5.271 -11.490 449 H SER 59 H SER 59 -7.612 -6.967 -10.016 450 HA SER 59 HA SER 59 -7.007 -8.676 -7.729 451 HB2 SER 59 HB2 SER 59 -8.832 -10.113 -8.677 452 HB3 SER 59 HB3 SER 59 -9.338 -8.458 -8.345 453 HG SER 59 HG SER 59 -8.956 -9.761 -10.799 454 H ARG 60 H ARG 60 -5.018 -8.229 -9.964 455 HA ARG 60 HA ARG 60 -4.901 -10.572 -11.569 456 HB2 ARG 60 HB2 ARG 60 -2.834 -9.752 -12.393 457 HB3 ARG 60 HB3 ARG 60 -3.828 -8.336 -12.084 458 HG2 ARG 60 HG2 ARG 60 -2.632 -7.976 -9.958 459 HG3 ARG 60 HG3 ARG 60 -1.620 -9.376 -10.306 460 HD2 ARG 60 HD2 ARG 60 -1.754 -6.781 -11.844 461 HD3 ARG 60 HD3 ARG 60 -0.399 -7.400 -10.902 462 HE ARG 60 HE ARG 60 -1.328 -8.899 -13.247 463 HH11 ARG 60 HH11 ARG 60 1.168 -7.134 -11.648 464 HH12 ARG 60 HH12 ARG 60 2.335 -7.487 -12.876 465 HH21 ARG 60 HH21 ARG 60 0.173 -9.324 -14.807 466 HH22 ARG 60 HH22 ARG 60 1.780 -8.702 -14.640 467 H TYR 61 H TYR 61 -4.405 -10.371 -8.306 468 HA TYR 61 HA TYR 61 -2.909 -12.856 -8.255 469 HB2 TYR 61 HB2 TYR 61 -1.189 -12.043 -6.705 470 HB3 TYR 61 HB3 TYR 61 -1.120 -11.174 -8.232 471 HD1 TYR 61 HD1 TYR 61 -2.609 -8.925 -8.233 472 HD2 TYR 61 HD2 TYR 61 -0.982 -10.791 -4.767 473 HE1 TYR 61 HE1 TYR 61 -2.741 -6.790 -7.030 474 HE2 TYR 61 HE2 TYR 61 -1.110 -8.655 -3.556 475 HH TYR 61 HH TYR 61 -1.222 -6.263 -4.026 476 H VAL 62 H VAL 62 -2.915 -13.907 -6.161 477 HA VAL 62 HA VAL 62 -5.300 -13.185 -4.584 478 HB VAL 62 HB VAL 62 -3.837 -15.833 -4.775 479 HG11 VAL 62 HG11 VAL 62 -4.880 -15.563 -2.586 480 HG12 VAL 62 HG12 VAL 62 -5.753 -16.761 -3.539 481 HG13 VAL 62 HG13 VAL 62 -6.411 -15.136 -3.349 482 HG21 VAL 62 HG21 VAL 62 -6.496 -14.981 -5.933 483 HG22 VAL 62 HG22 VAL 62 -5.810 -16.606 -6.010 484 HG23 VAL 62 HG23 VAL 62 -5.012 -15.270 -6.841 485 H LEU 63 H LEU 63 -5.053 -12.410 -2.576 486 HA LEU 63 HA LEU 63 -2.451 -12.393 -1.296 487 HB2 LEU 63 HB2 LEU 63 -5.118 -11.181 -0.578 488 HB3 LEU 63 HB3 LEU 63 -3.753 -11.129 0.517 489 HG LEU 63 HG LEU 63 -3.938 -9.030 -0.670 490 HD11 LEU 63 HD11 LEU 63 -1.702 -9.812 -0.098 491 HD12 LEU 63 HD12 LEU 63 -1.682 -8.871 -1.586 492 HD13 LEU 63 HD13 LEU 63 -1.573 -10.630 -1.654 493 HD21 LEU 63 HD21 LEU 63 -3.693 -8.881 -3.096 494 HD22 LEU 63 HD22 LEU 63 -5.113 -9.827 -2.656 495 HD23 LEU 63 HD23 LEU 63 -3.650 -10.640 -3.211 496 H LYS 64 H LYS 64 -1.834 -14.191 -0.270 497 HA LYS 64 HA LYS 64 -3.706 -15.947 1.048 498 HB2 LYS 64 HB2 LYS 64 -0.678 -15.985 0.981 499 HB3 LYS 64 HB3 LYS 64 -1.693 -17.261 1.648 500 HG2 LYS 64 HG2 LYS 64 -2.694 -17.615 -0.564 501 HG3 LYS 64 HG3 LYS 64 -1.664 -16.347 -1.230 502 HD2 LYS 64 HD2 LYS 64 0.328 -17.658 -0.650 503 HD3 LYS 64 HD3 LYS 64 -0.703 -18.924 0.027 504 HE2 LYS 64 HE2 LYS 64 -1.701 -19.309 -2.161 505 HE3 LYS 64 HE3 LYS 64 -0.745 -17.999 -2.850 506 HZ1 LYS 64 HZ1 LYS 64 1.261 -19.243 -2.362 507 HZ2 LYS 64 HZ2 LYS 64 0.217 -20.156 -3.330 508 HZ3 LYS 64 HZ3 LYS 64 0.353 -20.496 -1.681 509 H ALA 65 H ALA 65 -3.907 -16.325 3.260 510 HA ALA 65 HA ALA 65 -3.919 -14.139 4.959 511 HB1 ALA 65 HB1 ALA 65 -4.286 -15.737 6.787 512 HB2 ALA 65 HB2 ALA 65 -3.772 -17.058 5.733 513 HB3 ALA 65 HB3 ALA 65 -5.239 -16.152 5.362 514 H GLY 66 H GLY 66 -2.346 -13.004 5.910 515 HA2 GLY 66 HA2 GLY 66 -0.449 -12.731 7.293 516 HA3 GLY 66 HA3 GLY 66 0.067 -14.359 6.883 517 H GLN 67 H GLN 67 -0.066 -14.129 4.034 518 HA GLN 67 HA GLN 67 2.506 -13.034 3.562 519 HB2 GLN 67 HB2 GLN 67 1.556 -14.935 2.277 520 HB3 GLN 67 HB3 GLN 67 0.420 -13.830 1.513 521 HG2 GLN 67 HG2 GLN 67 2.220 -12.643 0.434 522 HG3 GLN 67 HG3 GLN 67 3.421 -13.588 1.308 523 HE21 GLN 67 HE21 GLN 67 0.515 -14.968 -0.067 524 HE22 GLN 67 HE22 GLN 67 1.306 -15.876 -1.301 525 H THR 68 H THR 68 3.168 -11.170 2.492 526 HA THR 68 HA THR 68 1.131 -9.024 2.455 527 HB THR 68 HB THR 68 2.917 -7.455 3.008 528 HG1 THR 68 HG1 THR 68 4.520 -9.455 2.189 529 HG21 THR 68 HG21 THR 68 3.417 -8.204 5.279 530 HG22 THR 68 HG22 THR 68 2.963 -9.854 4.851 531 HG23 THR 68 HG23 THR 68 1.746 -8.578 4.861 532 H VAL 69 H VAL 69 1.245 -7.383 0.891 533 HA VAL 69 HA VAL 69 2.931 -7.945 -1.470 534 HB VAL 69 HB VAL 69 0.590 -8.135 -2.057 535 HG11 VAL 69 HG11 VAL 69 0.242 -5.336 -0.968 536 HG12 VAL 69 HG12 VAL 69 -0.390 -6.818 -0.251 537 HG13 VAL 69 HG13 VAL 69 -0.987 -6.274 -1.818 538 HG21 VAL 69 HG21 VAL 69 0.434 -6.429 -3.832 539 HG22 VAL 69 HG22 VAL 69 2.043 -7.149 -3.742 540 HG23 VAL 69 HG23 VAL 69 1.759 -5.540 -3.079 541 H THR 70 H THR 70 4.499 -6.501 -1.879 542 HA THR 70 HA THR 70 4.522 -3.987 -0.370 543 HB THR 70 HB THR 70 6.729 -5.269 -2.009 544 HG1 THR 70 HG1 THR 70 7.584 -5.425 0.294 545 HG21 THR 70 HG21 THR 70 8.206 -3.624 -0.937 546 HG22 THR 70 HG22 THR 70 6.814 -2.882 -0.149 547 HG23 THR 70 HG23 THR 70 6.967 -2.827 -1.906 548 H ILE 71 H ILE 71 3.956 -2.129 -1.278 549 HA ILE 71 HA ILE 71 3.739 -1.856 -4.160 550 HB ILE 71 HB ILE 71 3.249 0.251 -2.038 551 HG12 ILE 71 HG12 ILE 71 1.777 -1.655 -1.646 552 HG13 ILE 71 HG13 ILE 71 0.849 -0.311 -2.301 553 HG21 ILE 71 HG21 ILE 71 3.585 1.214 -4.234 554 HG22 ILE 71 HG22 ILE 71 1.875 1.316 -3.810 555 HG23 ILE 71 HG23 ILE 71 2.429 0.083 -4.945 556 HD11 ILE 71 HD11 ILE 71 0.865 -1.370 -4.499 557 HD12 ILE 71 HD12 ILE 71 0.167 -2.429 -3.272 558 HD13 ILE 71 HD13 ILE 71 1.810 -2.709 -3.848 559 H TRP 72 H TRP 72 5.729 -1.752 -5.061 560 HA TRP 72 HA TRP 72 7.848 -0.115 -3.935 561 HB2 TRP 72 HB2 TRP 72 7.706 -1.677 -6.529 562 HB3 TRP 72 HB3 TRP 72 9.148 -0.889 -5.902 563 HD1 TRP 72 HD1 TRP 72 6.982 -3.984 -5.447 564 HE1 TRP 72 HE1 TRP 72 8.211 -5.650 -3.917 565 HE3 TRP 72 HE3 TRP 72 10.852 -0.999 -3.938 566 HZ2 TRP 72 HZ2 TRP 72 10.508 -5.693 -2.287 567 HZ3 TRP 72 HZ3 TRP 72 12.526 -1.933 -2.390 568 HH2 TRP 72 HH2 TRP 72 12.356 -4.232 -1.582 569 H ALA 73 H ALA 73 9.092 1.207 -5.788 570 HA ALA 73 HA ALA 73 7.119 2.980 -7.085 571 HB1 ALA 73 HB1 ALA 73 8.642 4.065 -5.495 572 HB2 ALA 73 HB2 ALA 73 8.887 4.658 -7.140 573 HB3 ALA 73 HB3 ALA 73 10.022 3.504 -6.440 574 H ALA 74 H ALA 74 7.969 3.991 -9.207 575 HA ALA 74 HA ALA 74 8.258 2.088 -11.188 576 HB1 ALA 74 HB1 ALA 74 7.589 4.394 -11.625 577 HB2 ALA 74 HB2 ALA 74 8.914 3.907 -12.682 578 HB3 ALA 74 HB3 ALA 74 9.231 4.944 -11.291 579 H ASN 75 H ASN 75 10.802 3.636 -9.323 580 HA ASN 75 HA ASN 75 12.903 2.299 -10.875 581 HB2 ASN 75 HB2 ASN 75 13.089 4.316 -8.619 582 HB3 ASN 75 HB3 ASN 75 14.462 3.657 -9.505 583 HD21 ASN 75 HD21 ASN 75 15.135 5.586 -10.322 584 HD22 ASN 75 HD22 ASN 75 14.242 6.499 -11.483 585 H ALA 76 H ALA 76 11.115 0.722 -9.200 586 HA ALA 76 HA ALA 76 11.966 0.036 -6.686 587 HB1 ALA 76 HB1 ALA 76 10.992 -1.892 -8.792 588 HB2 ALA 76 HB2 ALA 76 9.964 -0.868 -7.789 589 HB3 ALA 76 HB3 ALA 76 10.941 -2.133 -7.044 590 H GLY 77 H GLY 77 13.234 -1.305 -9.745 591 HA2 GLY 77 HA2 GLY 77 15.560 -1.935 -9.955 592 HA3 GLY 77 HA3 GLY 77 15.570 -2.334 -8.245 593 H VAL 78 H VAL 78 13.094 -3.781 -8.256 594 HA VAL 78 HA VAL 78 13.882 -6.337 -9.296 595 HB VAL 78 HB VAL 78 11.720 -7.138 -8.451 596 HG11 VAL 78 HG11 VAL 78 12.028 -6.575 -6.068 597 HG12 VAL 78 HG12 VAL 78 13.130 -5.276 -6.529 598 HG13 VAL 78 HG13 VAL 78 13.554 -6.956 -6.866 599 HG21 VAL 78 HG21 VAL 78 10.158 -5.594 -7.324 600 HG22 VAL 78 HG22 VAL 78 10.312 -5.238 -9.044 601 HG23 VAL 78 HG23 VAL 78 11.137 -4.228 -7.857 602 H THR 79 H THR 79 11.665 -7.506 -10.389 603 HA THR 79 HA THR 79 11.619 -6.456 -13.043 604 HB THR 79 HB THR 79 10.000 -8.226 -13.561 605 HG1 THR 79 HG1 THR 79 9.336 -9.634 -11.837 606 HG21 THR 79 HG21 THR 79 12.374 -8.820 -13.481 607 HG22 THR 79 HG22 THR 79 11.369 -10.169 -12.949 608 HG23 THR 79 HG23 THR 79 12.231 -9.193 -11.761 609 H ALA 80 H ALA 80 9.901 -5.533 -14.208 610 HA ALA 80 HA ALA 80 8.327 -3.662 -12.750 611 HB1 ALA 80 HB1 ALA 80 7.485 -2.957 -14.925 612 HB2 ALA 80 HB2 ALA 80 8.184 -4.393 -15.674 613 HB3 ALA 80 HB3 ALA 80 9.235 -3.168 -14.963 614 H SER 81 H SER 81 7.782 -6.856 -13.062 615 HA SER 81 HA SER 81 5.156 -6.696 -12.010 616 HB2 SER 81 HB2 SER 81 4.470 -6.382 -14.328 617 HB3 SER 81 HB3 SER 81 5.387 -7.803 -14.825 618 HG SER 81 HG SER 81 3.783 -9.017 -14.225 619 HA PRO 82 HA PRO 82 7.817 -10.182 -10.576 620 HB2 PRO 82 HB2 PRO 82 5.853 -9.933 -8.341 621 HB3 PRO 82 HB3 PRO 82 7.609 -10.128 -8.288 622 HG2 PRO 82 HG2 PRO 82 6.522 -7.746 -7.830 623 HG3 PRO 82 HG3 PRO 82 8.006 -7.883 -8.791 624 HD2 PRO 82 HD2 PRO 82 5.192 -7.408 -9.702 625 HD3 PRO 82 HD3 PRO 82 6.710 -6.713 -10.313 626 HA PRO 83 HA PRO 83 4.261 -9.114 -10.397 627 HB2 PRO 83 HB2 PRO 83 1.710 -9.743 -10.758 628 HB3 PRO 83 HB3 PRO 83 2.853 -9.843 -12.103 629 HG2 PRO 83 HG2 PRO 83 1.608 -12.025 -10.518 630 HG3 PRO 83 HG3 PRO 83 2.160 -12.032 -12.200 631 HD2 PRO 83 HD2 PRO 83 3.572 -12.956 -9.862 632 HD3 PRO 83 HD3 PRO 83 4.121 -12.979 -11.550 633 H THR 84 H THR 84 4.663 -11.261 -8.077 634 HA THR 84 HA THR 84 2.501 -11.149 -6.330 635 HB THR 84 HB THR 84 4.397 -12.605 -5.876 636 HG1 THR 84 HG1 THR 84 3.878 -10.702 -3.807 637 HG21 THR 84 HG21 THR 84 6.224 -11.111 -6.566 638 HG22 THR 84 HG22 THR 84 6.497 -11.755 -4.946 639 HG23 THR 84 HG23 THR 84 5.930 -10.098 -5.152 640 H ASP 85 H ASP 85 5.137 -8.785 -6.658 641 HA ASP 85 HA ASP 85 3.792 -6.992 -4.767 642 HB2 ASP 85 HB2 ASP 85 6.493 -6.777 -6.126 643 HB3 ASP 85 HB3 ASP 85 5.840 -5.581 -5.013 644 H LEU 86 H LEU 86 3.656 -4.652 -5.384 645 HA LEU 86 HA LEU 86 2.900 -4.355 -8.229 646 HB2 LEU 86 HB2 LEU 86 1.640 -3.128 -5.773 647 HB3 LEU 86 HB3 LEU 86 1.259 -2.633 -7.412 648 HG LEU 86 HG LEU 86 0.786 -5.400 -6.273 649 HD11 LEU 86 HD11 LEU 86 -0.718 -3.773 -5.288 650 HD12 LEU 86 HD12 LEU 86 -1.594 -4.798 -6.424 651 HD13 LEU 86 HD13 LEU 86 -1.139 -3.157 -6.887 652 HD21 LEU 86 HD21 LEU 86 1.251 -5.444 -8.675 653 HD22 LEU 86 HD22 LEU 86 0.017 -4.213 -8.945 654 HD23 LEU 86 HD23 LEU 86 -0.443 -5.809 -8.350 655 H ILE 87 H ILE 87 3.958 -2.851 -9.344 656 HA ILE 87 HA ILE 87 5.742 -0.998 -7.961 657 HB ILE 87 HB ILE 87 5.458 -1.770 -10.874 658 HG12 ILE 87 HG12 ILE 87 7.844 -2.520 -10.549 659 HG13 ILE 87 HG13 ILE 87 7.668 -2.170 -8.835 660 HG21 ILE 87 HG21 ILE 87 7.376 -0.314 -11.359 661 HG22 ILE 87 HG22 ILE 87 7.311 0.308 -9.709 662 HG23 ILE 87 HG23 ILE 87 5.970 0.603 -10.817 663 HD11 ILE 87 HD11 ILE 87 7.422 -4.537 -9.292 664 HD12 ILE 87 HD12 ILE 87 6.085 -4.203 -10.394 665 HD13 ILE 87 HD13 ILE 87 5.916 -3.861 -8.671 666 H TRP 88 H TRP 88 5.261 1.097 -7.663 667 HA TRP 88 HA TRP 88 2.821 2.257 -8.553 668 HB2 TRP 88 HB2 TRP 88 4.265 2.828 -6.458 669 HB3 TRP 88 HB3 TRP 88 5.158 3.879 -7.550 670 HD1 TRP 88 HD1 TRP 88 3.157 5.517 -9.072 671 HE1 TRP 88 HE1 TRP 88 1.367 6.988 -7.952 672 HE3 TRP 88 HE3 TRP 88 3.026 3.292 -4.465 673 HZ2 TRP 88 HZ2 TRP 88 0.076 7.187 -5.453 674 HZ3 TRP 88 HZ3 TRP 88 1.486 4.190 -2.767 675 HH2 TRP 88 HH2 TRP 88 0.042 6.099 -3.252 676 H LYS 89 H LYS 89 2.991 1.925 -10.848 677 HA LYS 89 HA LYS 89 5.085 2.769 -12.485 678 HB2 LYS 89 HB2 LYS 89 2.153 2.540 -13.195 679 HB3 LYS 89 HB3 LYS 89 3.488 2.558 -14.339 680 HG2 LYS 89 HG2 LYS 89 4.345 0.473 -13.355 681 HG3 LYS 89 HG3 LYS 89 2.978 0.451 -12.241 682 HD2 LYS 89 HD2 LYS 89 2.565 -1.044 -14.124 683 HD3 LYS 89 HD3 LYS 89 1.432 0.309 -14.153 684 HE2 LYS 89 HE2 LYS 89 2.730 1.407 -15.879 685 HE3 LYS 89 HE3 LYS 89 3.968 0.158 -15.788 686 HZ1 LYS 89 HZ1 LYS 89 1.165 -0.211 -16.692 687 HZ2 LYS 89 HZ2 LYS 89 2.303 -1.452 -16.544 688 HZ3 LYS 89 HZ3 LYS 89 2.541 -0.215 -17.669 689 H ASN 90 H ASN 90 2.617 4.686 -11.005 690 HA ASN 90 HA ASN 90 2.627 6.821 -12.907 691 HB2 ASN 90 HB2 ASN 90 1.693 6.830 -10.028 692 HB3 ASN 90 HB3 ASN 90 1.335 8.066 -11.229 693 HD21 ASN 90 HD21 ASN 90 -0.831 7.836 -11.279 694 HD22 ASN 90 HD22 ASN 90 -1.643 6.408 -11.813 695 H GLN 91 H GLN 91 4.755 6.027 -10.265 696 HA GLN 91 HA GLN 91 6.113 8.602 -10.566 697 HB2 GLN 91 HB2 GLN 91 4.478 9.016 -8.799 698 HB3 GLN 91 HB3 GLN 91 5.063 7.626 -7.898 699 HG2 GLN 91 HG2 GLN 91 7.258 8.741 -7.659 700 HG3 GLN 91 HG3 GLN 91 6.605 10.151 -8.492 701 HE21 GLN 91 HE21 GLN 91 6.976 11.472 -6.699 702 HE22 GLN 91 HE22 GLN 91 6.002 11.384 -5.279 703 H ASN 92 H ASN 92 8.255 8.660 -9.933 704 HA ASN 92 HA ASN 92 9.690 6.181 -9.710 705 HB2 ASN 92 HB2 ASN 92 10.639 9.047 -9.395 706 HB3 ASN 92 HB3 ASN 92 11.685 7.637 -9.563 707 HD21 ASN 92 HD21 ASN 92 10.124 6.304 -11.540 708 HD22 ASN 92 HD22 ASN 92 10.273 7.199 -13.007 709 H SER 93 H SER 93 11.683 6.590 -7.844 710 HA SER 93 HA SER 93 10.267 5.950 -5.413 711 HB2 SER 93 HB2 SER 93 12.370 4.794 -6.046 712 HB3 SER 93 HB3 SER 93 13.250 6.306 -5.824 713 HG SER 93 HG SER 93 12.713 4.498 -4.005 714 H TRP 94 H TRP 94 10.169 7.109 -3.486 715 HA TRP 94 HA TRP 94 11.070 9.915 -3.642 716 HB2 TRP 94 HB2 TRP 94 9.064 10.572 -2.368 717 HB3 TRP 94 HB3 TRP 94 8.649 9.815 -3.897 718 HD1 TRP 94 HD1 TRP 94 8.061 9.542 -0.205 719 HE1 TRP 94 HE1 TRP 94 6.530 7.541 0.293 720 HE3 TRP 94 HE3 TRP 94 8.115 7.302 -4.804 721 HZ2 TRP 94 HZ2 TRP 94 5.477 5.308 -1.070 722 HZ3 TRP 94 HZ3 TRP 94 6.817 5.235 -5.121 723 HH2 TRP 94 HH2 TRP 94 5.524 4.259 -3.290 724 H GLY 95 H GLY 95 12.866 9.908 -2.412 725 HA2 GLY 95 HA2 GLY 95 12.698 8.807 0.330 726 HA3 GLY 95 HA3 GLY 95 14.189 9.115 -0.548 727 H THR 96 H THR 96 12.903 10.112 2.099 728 HA THR 96 HA THR 96 13.988 12.740 2.028 729 HB THR 96 HB THR 96 12.032 13.380 0.784 730 HG1 THR 96 HG1 THR 96 11.020 14.805 2.427 731 HG21 THR 96 HG21 THR 96 10.376 12.162 3.006 732 HG22 THR 96 HG22 THR 96 10.548 11.513 1.373 733 HG23 THR 96 HG23 THR 96 9.748 13.065 1.625 734 H GLY 97 H GLY 97 11.683 10.592 3.692 735 HA2 GLY 97 HA2 GLY 97 11.814 9.996 5.976 736 HA3 GLY 97 HA3 GLY 97 12.865 11.372 6.261 737 H GLU 98 H GLU 98 10.746 12.969 4.624 738 HA GLU 98 HA GLU 98 9.309 14.126 6.709 739 HB2 GLU 98 HB2 GLU 98 8.705 14.001 3.748 740 HB3 GLU 98 HB3 GLU 98 7.780 14.983 4.874 741 HG2 GLU 98 HG2 GLU 98 10.748 15.264 4.437 742 HG3 GLU 98 HG3 GLU 98 9.528 16.217 3.595 743 H ASP 99 H ASP 99 7.454 13.645 7.753 744 HA ASP 99 HA ASP 99 6.395 11.054 7.650 745 HB2 ASP 99 HB2 ASP 99 5.266 13.566 8.894 746 HB3 ASP 99 HB3 ASP 99 4.621 11.948 9.164 747 H VAL 100 H VAL 100 5.211 10.173 6.135 748 HA VAL 100 HA VAL 100 3.337 11.825 4.570 749 HB VAL 100 HB VAL 100 4.952 10.735 3.159 750 HG11 VAL 100 HG11 VAL 100 4.135 8.144 4.477 751 HG12 VAL 100 HG12 VAL 100 5.690 8.963 4.629 752 HG13 VAL 100 HG13 VAL 100 5.201 8.282 3.079 753 HG21 VAL 100 HG21 VAL 100 2.311 9.273 2.986 754 HG22 VAL 100 HG22 VAL 100 3.505 9.401 1.693 755 HG23 VAL 100 HG23 VAL 100 2.677 10.843 2.279 756 H LYS 101 H LYS 101 1.174 11.389 4.538 757 HA LYS 101 HA LYS 101 0.235 9.050 6.085 758 HB2 LYS 101 HB2 LYS 101 -0.286 11.197 7.181 759 HB3 LYS 101 HB3 LYS 101 -1.139 11.730 5.740 760 HG2 LYS 101 HG2 LYS 101 -2.962 10.402 6.152 761 HG3 LYS 101 HG3 LYS 101 -2.018 9.184 7.012 762 HD2 LYS 101 HD2 LYS 101 -3.517 10.394 8.529 763 HD3 LYS 101 HD3 LYS 101 -1.825 10.660 8.944 764 HE2 LYS 101 HE2 LYS 101 -3.010 12.745 9.124 765 HE3 LYS 101 HE3 LYS 101 -1.925 12.833 7.738 766 HZ1 LYS 101 HZ1 LYS 101 -4.848 12.331 7.652 767 HZ2 LYS 101 HZ2 LYS 101 -3.831 12.329 6.303 768 HZ3 LYS 101 HZ3 LYS 101 -4.063 13.750 7.182 769 H VAL 102 H VAL 102 -1.184 7.677 5.138 770 HA VAL 102 HA VAL 102 -2.017 8.285 2.375 771 HB VAL 102 HB VAL 102 -0.080 6.897 2.183 772 HG11 VAL 102 HG11 VAL 102 0.018 6.019 4.447 773 HG12 VAL 102 HG12 VAL 102 0.109 4.701 3.279 774 HG13 VAL 102 HG13 VAL 102 -1.396 5.011 4.144 775 HG21 VAL 102 HG21 VAL 102 -2.506 5.129 1.838 776 HG22 VAL 102 HG22 VAL 102 -0.949 4.947 1.029 777 HG23 VAL 102 HG23 VAL 102 -1.962 6.349 0.687 778 H ILE 103 H ILE 103 -3.958 7.506 1.685 779 HA ILE 103 HA ILE 103 -5.754 6.354 3.726 780 HB ILE 103 HB ILE 103 -6.430 7.899 1.210 781 HG12 ILE 103 HG12 ILE 103 -5.358 9.334 2.886 782 HG13 ILE 103 HG13 ILE 103 -7.065 9.735 2.730 783 HG21 ILE 103 HG21 ILE 103 -8.718 7.997 2.135 784 HG22 ILE 103 HG22 ILE 103 -8.219 6.913 3.435 785 HG23 ILE 103 HG23 ILE 103 -8.204 6.352 1.763 786 HD11 ILE 103 HD11 ILE 103 -5.823 8.090 4.925 787 HD12 ILE 103 HD12 ILE 103 -7.537 8.482 4.775 788 HD13 ILE 103 HD13 ILE 103 -6.360 9.766 5.047 789 H LEU 104 H LEU 104 -6.901 4.481 3.314 790 HA LEU 104 HA LEU 104 -6.451 3.154 0.707 791 HB2 LEU 104 HB2 LEU 104 -7.122 1.965 3.404 792 HB3 LEU 104 HB3 LEU 104 -7.072 1.047 1.911 793 HG LEU 104 HG LEU 104 -4.732 2.426 3.240 794 HD11 LEU 104 HD11 LEU 104 -3.895 0.131 3.535 795 HD12 LEU 104 HD12 LEU 104 -5.406 -0.494 2.872 796 HD13 LEU 104 HD13 LEU 104 -5.412 0.404 4.391 797 HD21 LEU 104 HD21 LEU 104 -3.368 1.375 1.480 798 HD22 LEU 104 HD22 LEU 104 -4.507 2.546 0.816 799 HD23 LEU 104 HD23 LEU 104 -4.838 0.818 0.679 800 H LYS 105 H LYS 105 -8.126 3.346 -0.633 801 HA LYS 105 HA LYS 105 -10.867 3.217 0.448 802 HB2 LYS 105 HB2 LYS 105 -9.779 4.307 -2.148 803 HB3 LYS 105 HB3 LYS 105 -11.493 3.995 -1.913 804 HG2 LYS 105 HG2 LYS 105 -11.462 5.545 0.029 805 HG3 LYS 105 HG3 LYS 105 -9.782 5.931 -0.358 806 HD2 LYS 105 HD2 LYS 105 -10.422 6.820 -2.511 807 HD3 LYS 105 HD3 LYS 105 -12.087 6.278 -2.284 808 HE2 LYS 105 HE2 LYS 105 -10.663 8.374 -0.635 809 HE3 LYS 105 HE3 LYS 105 -11.864 8.682 -1.891 810 HZ1 LYS 105 HZ1 LYS 105 -12.954 8.788 0.198 811 HZ2 LYS 105 HZ2 LYS 105 -12.291 7.318 0.708 812 HZ3 LYS 105 HZ3 LYS 105 -13.444 7.344 -0.529 813 H ASN 106 H ASN 106 -12.271 1.639 -0.160 814 HA ASN 106 HA ASN 106 -11.220 -0.674 -1.581 815 HB2 ASN 106 HB2 ASN 106 -13.968 -0.248 -0.376 816 HB3 ASN 106 HB3 ASN 106 -13.264 -1.785 -0.873 817 HD21 ASN 106 HD21 ASN 106 -11.740 -2.755 0.427 818 HD22 ASN 106 HD22 ASN 106 -11.423 -2.231 2.038 819 H SER 107 H SER 107 -13.356 -1.743 -2.878 820 HA SER 107 HA SER 107 -13.339 -0.490 -5.374 821 HB2 SER 107 HB2 SER 107 -13.838 -2.868 -5.132 822 HB3 SER 107 HB3 SER 107 -15.331 -2.495 -4.275 823 HG SER 107 HG SER 107 -14.779 -1.688 -6.949 824 H GLN 108 H GLN 108 -15.712 -0.230 -2.755 825 HA GLN 108 HA GLN 108 -17.518 1.409 -4.313 826 HB2 GLN 108 HB2 GLN 108 -17.479 0.829 -1.341 827 HB3 GLN 108 HB3 GLN 108 -18.780 1.643 -2.200 828 HG2 GLN 108 HG2 GLN 108 -19.091 -0.426 -3.556 829 HG3 GLN 108 HG3 GLN 108 -17.893 -1.218 -2.536 830 HE21 GLN 108 HE21 GLN 108 -18.417 -1.634 -0.352 831 HE22 GLN 108 HE22 GLN 108 -20.054 -1.661 0.189 832 H GLY 109 H GLY 109 -14.572 2.150 -3.169 833 HA2 GLY 109 HA2 GLY 109 -13.531 4.208 -2.910 834 HA3 GLY 109 HA3 GLY 109 -15.098 4.989 -3.046 835 H GLU 110 H GLU 110 -15.490 2.681 -0.770 836 HA GLU 110 HA GLU 110 -15.648 4.492 1.410 837 HB2 GLU 110 HB2 GLU 110 -16.255 2.507 2.720 838 HB3 GLU 110 HB3 GLU 110 -17.111 2.531 1.183 839 HG2 GLU 110 HG2 GLU 110 -15.318 0.986 0.299 840 HG3 GLU 110 HG3 GLU 110 -14.763 0.819 1.961 841 H GLU 111 H GLU 111 -14.422 4.505 3.367 842 HA GLU 111 HA GLU 111 -11.606 3.744 2.972 843 HB2 GLU 111 HB2 GLU 111 -12.042 6.103 3.395 844 HB3 GLU 111 HB3 GLU 111 -12.896 5.706 4.877 845 HG2 GLU 111 HG2 GLU 111 -10.787 4.811 5.813 846 HG3 GLU 111 HG3 GLU 111 -9.952 5.317 4.341 847 H VAL 112 H VAL 112 -10.908 1.948 3.959 848 HA VAL 112 HA VAL 112 -12.179 1.106 6.486 849 HB VAL 112 HB VAL 112 -11.083 -1.106 6.088 850 HG11 VAL 112 HG11 VAL 112 -12.625 -1.819 4.312 851 HG12 VAL 112 HG12 VAL 112 -12.929 -0.130 3.907 852 HG13 VAL 112 HG13 VAL 112 -13.410 -0.758 5.484 853 HG21 VAL 112 HG21 VAL 112 -9.247 -0.348 4.652 854 HG22 VAL 112 HG22 VAL 112 -10.403 0.078 3.389 855 HG23 VAL 112 HG23 VAL 112 -10.195 -1.608 3.863 856 H ALA 113 H ALA 113 -9.240 2.410 5.247 857 HA ALA 113 HA ALA 113 -8.027 2.282 7.880 858 HB1 ALA 113 HB1 ALA 113 -5.983 1.169 7.190 859 HB2 ALA 113 HB2 ALA 113 -6.613 0.975 5.553 860 HB3 ALA 113 HB3 ALA 113 -7.373 0.125 6.898 861 H GLN 114 H GLN 114 -6.580 3.854 8.273 862 HA GLN 114 HA GLN 114 -5.372 5.372 6.088 863 HB2 GLN 114 HB2 GLN 114 -5.986 7.533 7.154 864 HB3 GLN 114 HB3 GLN 114 -7.379 6.650 6.550 865 HG2 GLN 114 HG2 GLN 114 -7.891 5.897 8.822 866 HG3 GLN 114 HG3 GLN 114 -6.490 6.777 9.430 867 HE21 GLN 114 HE21 GLN 114 -9.297 7.091 10.108 868 HE22 GLN 114 HE22 GLN 114 -9.695 8.732 9.754 869 H ARG 115 H ARG 115 -3.238 5.672 6.520 870 HA ARG 115 HA ARG 115 -2.318 5.640 9.305 871 HB2 ARG 115 HB2 ARG 115 -2.508 3.271 8.514 872 HB3 ARG 115 HB3 ARG 115 -1.327 3.636 7.264 873 HG2 ARG 115 HG2 ARG 115 0.369 4.070 8.934 874 HG3 ARG 115 HG3 ARG 115 -0.811 3.848 10.229 875 HD2 ARG 115 HD2 ARG 115 -1.147 1.521 9.492 876 HD3 ARG 115 HD3 ARG 115 0.086 1.749 8.252 877 HE ARG 115 HE ARG 115 1.380 2.404 10.531 878 HH11 ARG 115 HH11 ARG 115 -0.553 -0.322 9.689 879 HH12 ARG 115 HH12 ARG 115 0.406 -1.417 10.625 880 HH21 ARG 115 HH21 ARG 115 2.569 0.982 11.750 881 HH22 ARG 115 HH22 ARG 115 2.131 -0.689 11.786 882 H SER 116 H SER 116 -0.060 6.215 9.567 883 HA SER 116 HA SER 116 1.176 7.537 7.232 884 HB2 SER 116 HB2 SER 116 1.806 9.450 8.688 885 HB3 SER 116 HB3 SER 116 0.058 9.282 8.539 886 HG SER 116 HG SER 116 1.444 9.384 10.756 887 H THR 117 H THR 117 3.507 8.254 7.828 888 HA THR 117 HA THR 117 4.950 6.028 8.976 889 HB THR 117 HB THR 117 6.986 7.420 8.547 890 HG1 THR 117 HG1 THR 117 6.428 9.509 8.612 891 HG21 THR 117 HG21 THR 117 5.080 7.181 6.213 892 HG22 THR 117 HG22 THR 117 6.153 5.912 6.810 893 HG23 THR 117 HG23 THR 117 6.828 7.379 6.097 894 H VAL 118 H VAL 118 6.974 6.891 10.420 895 HA VAL 118 HA VAL 118 5.929 8.624 12.556 896 HB VAL 118 HB VAL 118 5.620 6.348 13.352 897 HG11 VAL 118 HG11 VAL 118 7.220 5.174 11.959 898 HG12 VAL 118 HG12 VAL 118 7.531 4.815 13.658 899 HG13 VAL 118 HG13 VAL 118 8.563 5.954 12.793 900 HG21 VAL 118 HG21 VAL 118 6.283 8.017 15.002 901 HG22 VAL 118 HG22 VAL 118 7.986 7.675 14.692 902 HG23 VAL 118 HG23 VAL 118 6.955 6.440 15.418 903 H PHE 119 H PHE 119 7.316 10.173 13.154 904 HA PHE 119 HA PHE 119 9.763 10.612 11.886 905 HB2 PHE 119 HB2 PHE 119 10.118 12.334 13.752 906 HB3 PHE 119 HB3 PHE 119 8.689 12.519 12.745 907 HD1 PHE 119 HD1 PHE 119 6.455 12.002 13.643 908 HD2 PHE 119 HD2 PHE 119 9.932 11.842 16.107 909 HE1 PHE 119 HE1 PHE 119 5.036 12.040 15.649 910 HE2 PHE 119 HE2 PHE 119 8.511 11.875 18.113 911 HZ PHE 119 HZ PHE 119 6.059 11.975 17.886 912 H LYS 120 H LYS 120 11.202 8.949 12.014 913 HA LYS 120 HA LYS 120 12.477 8.515 14.649 914 HB2 LYS 120 HB2 LYS 120 11.987 6.486 12.455 915 HB3 LYS 120 HB3 LYS 120 13.088 6.211 13.799 916 HG2 LYS 120 HG2 LYS 120 10.113 6.674 13.991 917 HG3 LYS 120 HG3 LYS 120 10.956 5.138 14.207 918 HD2 LYS 120 HD2 LYS 120 12.214 6.243 16.113 919 HD3 LYS 120 HD3 LYS 120 11.083 7.590 15.968 920 HE2 LYS 120 HE2 LYS 120 10.334 6.097 17.715 921 HE3 LYS 120 HE3 LYS 120 9.213 6.008 16.356 922 HZ1 LYS 120 HZ1 LYS 120 9.734 3.819 17.242 923 HZ2 LYS 120 HZ2 LYS 120 11.378 4.057 16.931 924 HZ3 LYS 120 HZ3 LYS 120 10.279 3.962 15.650 925 H THR 121 H THR 121 14.740 8.282 14.661 926 HA THR 121 HA THR 121 16.119 8.930 12.124 927 HB THR 121 HB THR 121 16.952 9.797 14.910 928 HG1 THR 121 HG1 THR 121 16.223 11.465 12.719 929 HG21 THR 121 HG21 THR 121 18.902 9.335 13.501 930 HG22 THR 121 HG22 THR 121 18.725 11.071 13.766 931 HG23 THR 121 HG23 THR 121 18.239 10.358 12.226 932 H THR 122 H THR 122 16.627 6.834 11.565 933 HA THR 122 HA THR 122 17.899 5.060 13.500 934 HB THR 122 HB THR 122 17.897 3.383 11.659 935 HG1 THR 122 HG1 THR 122 17.928 5.120 9.969 936 HG21 THR 122 HG21 THR 122 15.449 3.103 11.542 937 HG22 THR 122 HG22 THR 122 15.240 4.733 12.179 938 HG23 THR 122 HG23 THR 122 15.995 3.488 13.175 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -40.249 -28.727 -8.421 2 H2 MET 1 H2 MET 1 -39.510 -27.911 -7.141 3 H3 MET 1 H3 MET 1 -41.093 -28.477 -6.975 4 HA MET 1 HA MET 1 -39.535 -29.878 -5.783 5 HB2 MET 1 HB2 MET 1 -40.249 -32.034 -6.721 6 HB3 MET 1 HB3 MET 1 -41.577 -30.885 -6.677 7 HG2 MET 1 HG2 MET 1 -41.291 -30.456 -9.067 8 HG3 MET 1 HG3 MET 1 -39.951 -31.601 -9.111 9 HE1 MET 1 HE1 MET 1 -41.146 -32.875 -11.124 10 HE2 MET 1 HE2 MET 1 -42.513 -31.762 -11.063 11 HE3 MET 1 HE3 MET 1 -42.792 -33.503 -11.046 12 H GLY 2 H GLY 2 -37.609 -30.987 -5.677 13 HA2 GLY 2 HA2 GLY 2 -35.587 -31.883 -6.350 14 HA3 GLY 2 HA3 GLY 2 -36.137 -31.787 -8.013 15 H HIS 3 H HIS 3 -36.298 -29.373 -8.781 16 HA HIS 3 HA HIS 3 -33.627 -28.310 -8.618 17 HB2 HIS 3 HB2 HIS 3 -36.077 -27.262 -10.063 18 HB3 HIS 3 HB3 HIS 3 -34.429 -26.684 -10.295 19 HD1 HIS 3 HD1 HIS 3 -32.919 -28.036 -11.823 20 HD2 HIS 3 HD2 HIS 3 -36.572 -29.878 -11.100 21 HE1 HIS 3 HE1 HIS 3 -33.020 -29.977 -13.410 22 HE2 HIS 3 HE2 HIS 3 -35.244 -31.066 -12.976 23 H HIS 4 H HIS 4 -32.912 -26.553 -7.500 24 HA HIS 4 HA HIS 4 -34.800 -24.723 -6.244 25 HB2 HIS 4 HB2 HIS 4 -33.996 -25.114 -3.970 26 HB3 HIS 4 HB3 HIS 4 -34.659 -26.601 -4.641 27 HD1 HIS 4 HD1 HIS 4 -31.707 -25.234 -3.027 28 HD2 HIS 4 HD2 HIS 4 -32.546 -28.465 -5.509 29 HE1 HIS 4 HE1 HIS 4 -29.738 -26.773 -2.820 30 HE2 HIS 4 HE2 HIS 4 -30.187 -28.630 -4.458 31 H HIS 5 H HIS 5 -33.370 -23.250 -4.622 32 HA HIS 5 HA HIS 5 -31.014 -22.357 -6.184 33 HB2 HIS 5 HB2 HIS 5 -32.805 -20.656 -4.426 34 HB3 HIS 5 HB3 HIS 5 -31.514 -20.088 -5.478 35 HD1 HIS 5 HD1 HIS 5 -32.086 -19.731 -7.946 36 HD2 HIS 5 HD2 HIS 5 -35.184 -21.445 -5.773 37 HE1 HIS 5 HE1 HIS 5 -34.081 -19.676 -9.466 38 HE2 HIS 5 HE2 HIS 5 -35.905 -20.833 -8.178 39 H HIS 6 H HIS 6 -29.517 -20.920 -4.718 40 HA HIS 6 HA HIS 6 -29.598 -21.497 -1.879 41 HB2 HIS 6 HB2 HIS 6 -27.449 -22.522 -1.664 42 HB3 HIS 6 HB3 HIS 6 -28.307 -23.428 -2.905 43 HD1 HIS 6 HD1 HIS 6 -25.432 -21.081 -2.410 44 HD2 HIS 6 HD2 HIS 6 -27.171 -23.300 -5.465 45 HE1 HIS 6 HE1 HIS 6 -23.782 -21.031 -4.301 46 HE2 HIS 6 HE2 HIS 6 -24.905 -22.268 -6.177 47 H HIS 7 H HIS 7 -28.034 -20.154 -0.648 48 HA HIS 7 HA HIS 7 -27.918 -17.522 -1.753 49 HB2 HIS 7 HB2 HIS 7 -26.858 -18.672 0.830 50 HB3 HIS 7 HB3 HIS 7 -26.696 -16.972 0.404 51 HD1 HIS 7 HD1 HIS 7 -28.732 -18.989 2.401 52 HD2 HIS 7 HD2 HIS 7 -29.530 -15.977 -0.348 53 HE1 HIS 7 HE1 HIS 7 -31.024 -18.149 2.970 54 HE2 HIS 7 HE2 HIS 7 -31.436 -16.252 1.374 55 H HIS 8 H HIS 8 -25.990 -16.147 -1.785 56 HA HIS 8 HA HIS 8 -23.425 -17.468 -2.197 57 HB2 HIS 8 HB2 HIS 8 -23.150 -16.194 -4.407 58 HB3 HIS 8 HB3 HIS 8 -24.187 -17.614 -4.425 59 HD1 HIS 8 HD1 HIS 8 -24.464 -13.829 -4.318 60 HD2 HIS 8 HD2 HIS 8 -26.731 -17.168 -5.315 61 HE1 HIS 8 HE1 HIS 8 -26.566 -12.931 -5.352 62 HE2 HIS 8 HE2 HIS 8 -27.974 -14.956 -5.832 63 H SER 9 H SER 9 -22.153 -16.359 -0.855 64 HA SER 9 HA SER 9 -22.427 -13.411 -0.701 65 HB2 SER 9 HB2 SER 9 -21.505 -15.308 1.484 66 HB3 SER 9 HB3 SER 9 -21.626 -13.555 1.627 67 HG SER 9 HG SER 9 -23.712 -13.724 1.913 68 H HIS 10 H HIS 10 -20.470 -12.182 -0.297 69 HA HIS 10 HA HIS 10 -17.975 -13.573 -1.076 70 HB2 HIS 10 HB2 HIS 10 -18.822 -10.781 -1.904 71 HB3 HIS 10 HB3 HIS 10 -17.291 -11.548 -2.306 72 HD1 HIS 10 HD1 HIS 10 -17.701 -13.957 -3.699 73 HD2 HIS 10 HD2 HIS 10 -20.663 -11.045 -3.870 74 HE1 HIS 10 HE1 HIS 10 -19.056 -14.496 -5.736 75 HE2 HIS 10 HE2 HIS 10 -20.904 -12.793 -5.762 76 H MET 11 H MET 11 -16.022 -11.989 -0.627 77 HA MET 11 HA MET 11 -16.416 -10.643 1.977 78 HB2 MET 11 HB2 MET 11 -14.114 -12.387 1.084 79 HB3 MET 11 HB3 MET 11 -14.022 -11.317 2.476 80 HG2 MET 11 HG2 MET 11 -15.993 -13.573 2.149 81 HG3 MET 11 HG3 MET 11 -14.506 -13.638 3.096 82 HE1 MET 11 HE1 MET 11 -17.399 -14.366 4.285 83 HE2 MET 11 HE2 MET 11 -17.298 -13.570 5.857 84 HE3 MET 11 HE3 MET 11 -15.904 -14.444 5.218 85 H THR 12 H THR 12 -15.742 -8.591 2.085 86 HA THR 12 HA THR 12 -14.869 -7.228 -0.266 87 HB THR 12 HB THR 12 -14.796 -5.208 1.191 88 HG1 THR 12 HG1 THR 12 -14.634 -5.467 3.283 89 HG21 THR 12 HG21 THR 12 -17.184 -5.175 1.765 90 HG22 THR 12 HG22 THR 12 -17.258 -6.927 1.566 91 HG23 THR 12 HG23 THR 12 -16.922 -5.894 0.175 92 H GLY 13 H GLY 13 -13.194 -8.633 2.411 93 HA2 GLY 13 HA2 GLY 13 -10.848 -9.052 2.361 94 HA3 GLY 13 HA3 GLY 13 -10.639 -7.642 1.338 95 H ASN 14 H ASN 14 -9.413 -8.520 3.974 96 HA ASN 14 HA ASN 14 -9.804 -5.939 5.337 97 HB2 ASN 14 HB2 ASN 14 -10.985 -7.813 6.553 98 HB3 ASN 14 HB3 ASN 14 -9.411 -8.560 6.809 99 HD21 ASN 14 HD21 ASN 14 -7.957 -7.583 8.238 100 HD22 ASN 14 HD22 ASN 14 -8.467 -6.382 9.370 101 H VAL 15 H VAL 15 -7.940 -5.085 4.503 102 HA VAL 15 HA VAL 15 -5.392 -6.438 5.150 103 HB VAL 15 HB VAL 15 -5.929 -4.480 2.897 104 HG11 VAL 15 HG11 VAL 15 -3.454 -6.088 3.545 105 HG12 VAL 15 HG12 VAL 15 -3.632 -4.340 3.689 106 HG13 VAL 15 HG13 VAL 15 -3.686 -5.102 2.101 107 HG21 VAL 15 HG21 VAL 15 -5.506 -7.471 2.779 108 HG22 VAL 15 HG22 VAL 15 -5.681 -6.395 1.391 109 HG23 VAL 15 HG23 VAL 15 -7.031 -6.630 2.501 110 H CYS 16 H CYS 16 -3.725 -5.222 6.066 111 HA CYS 16 HA CYS 16 -4.306 -2.402 6.721 112 HB2 CYS 16 HB2 CYS 16 -3.359 -2.773 8.995 113 HB3 CYS 16 HB3 CYS 16 -4.851 -3.660 8.714 114 HG CYS 16 HG CYS 16 -3.458 -5.445 10.142 115 H ILE 17 H ILE 17 -2.447 -1.083 7.171 116 HA ILE 17 HA ILE 17 -0.174 -1.746 5.517 117 HB ILE 17 HB ILE 17 -0.610 0.671 7.294 118 HG12 ILE 17 HG12 ILE 17 -1.107 0.355 4.317 119 HG13 ILE 17 HG13 ILE 17 -2.366 0.386 5.549 120 HG21 ILE 17 HG21 ILE 17 1.742 0.320 6.721 121 HG22 ILE 17 HG22 ILE 17 1.105 1.742 5.897 122 HG23 ILE 17 HG23 ILE 17 1.323 0.233 5.010 123 HD11 ILE 17 HD11 ILE 17 -0.471 2.637 4.908 124 HD12 ILE 17 HD12 ILE 17 -1.747 2.671 6.125 125 HD13 ILE 17 HD13 ILE 17 -2.162 2.525 4.419 126 H GLU 18 H GLU 18 1.432 -2.998 6.259 127 HA GLU 18 HA GLU 18 1.767 -3.465 9.088 128 HB2 GLU 18 HB2 GLU 18 1.900 -5.298 7.448 129 HB3 GLU 18 HB3 GLU 18 3.324 -4.554 6.731 130 HG2 GLU 18 HG2 GLU 18 4.586 -4.907 8.762 131 HG3 GLU 18 HG3 GLU 18 3.152 -5.532 9.578 132 H GLU 19 H GLU 19 4.008 -2.348 6.505 133 HA GLU 19 HA GLU 19 5.230 -0.499 8.376 134 HB2 GLU 19 HB2 GLU 19 6.405 -2.591 8.883 135 HB3 GLU 19 HB3 GLU 19 6.857 -2.760 7.193 136 HG2 GLU 19 HG2 GLU 19 8.271 -0.827 7.306 137 HG3 GLU 19 HG3 GLU 19 7.690 -0.441 8.926 138 H ILE 20 H ILE 20 5.572 1.320 7.322 139 HA ILE 20 HA ILE 20 6.000 1.397 4.437 140 HB ILE 20 HB ILE 20 5.858 3.647 6.467 141 HG12 ILE 20 HG12 ILE 20 3.773 2.682 4.484 142 HG13 ILE 20 HG13 ILE 20 3.733 2.388 6.220 143 HG21 ILE 20 HG21 ILE 20 5.838 3.774 3.447 144 HG22 ILE 20 HG22 ILE 20 7.149 4.301 4.502 145 HG23 ILE 20 HG23 ILE 20 5.598 5.140 4.537 146 HD11 ILE 20 HD11 ILE 20 3.586 5.080 4.880 147 HD12 ILE 20 HD12 ILE 20 3.540 4.790 6.619 148 HD13 ILE 20 HD13 ILE 20 2.240 4.193 5.590 149 H ASP 21 H ASP 21 7.945 1.946 3.438 150 HA ASP 21 HA ASP 21 10.350 1.706 4.988 151 HB2 ASP 21 HB2 ASP 21 10.239 0.766 2.741 152 HB3 ASP 21 HB3 ASP 21 9.952 2.365 2.058 153 H VAL 22 H VAL 22 11.915 3.257 5.406 154 HA VAL 22 HA VAL 22 10.887 5.961 5.673 155 HB VAL 22 HB VAL 22 12.011 4.878 7.575 156 HG11 VAL 22 HG11 VAL 22 14.500 5.010 5.870 157 HG12 VAL 22 HG12 VAL 22 13.655 3.545 6.369 158 HG13 VAL 22 HG13 VAL 22 14.445 4.561 7.574 159 HG21 VAL 22 HG21 VAL 22 13.473 6.747 8.207 160 HG22 VAL 22 HG22 VAL 22 11.985 7.317 7.452 161 HG23 VAL 22 HG23 VAL 22 13.490 7.299 6.534 162 H ASP 23 H ASP 23 13.188 4.299 3.640 163 HA ASP 23 HA ASP 23 14.584 6.699 2.817 164 HB2 ASP 23 HB2 ASP 23 15.724 4.506 2.908 165 HB3 ASP 23 HB3 ASP 23 14.647 3.896 1.655 166 H GLY 24 H GLY 24 11.772 4.973 1.869 167 HA2 GLY 24 HA2 GLY 24 10.093 6.046 0.533 168 HA3 GLY 24 HA3 GLY 24 11.365 6.844 -0.375 169 H LYS 25 H LYS 25 11.736 3.486 0.329 170 HA LYS 25 HA LYS 25 11.854 2.885 -2.486 171 HB2 LYS 25 HB2 LYS 25 12.107 0.977 -0.151 172 HB3 LYS 25 HB3 LYS 25 12.641 0.700 -1.803 173 HG2 LYS 25 HG2 LYS 25 14.304 2.491 -1.564 174 HG3 LYS 25 HG3 LYS 25 13.767 2.756 0.098 175 HD2 LYS 25 HD2 LYS 25 14.355 0.352 0.571 176 HD3 LYS 25 HD3 LYS 25 15.077 0.279 -1.037 177 HE2 LYS 25 HE2 LYS 25 15.910 2.085 1.236 178 HE3 LYS 25 HE3 LYS 25 16.795 0.693 0.618 179 HZ1 LYS 25 HZ1 LYS 25 16.999 1.870 -1.517 180 HZ2 LYS 25 HZ2 LYS 25 17.739 2.702 -0.245 181 HZ3 LYS 25 HZ3 LYS 25 16.242 3.219 -0.835 182 H PHE 26 H PHE 26 9.736 1.835 0.220 183 HA PHE 26 HA PHE 26 7.645 1.060 -1.609 184 HB2 PHE 26 HB2 PHE 26 7.654 -1.340 -1.042 185 HB3 PHE 26 HB3 PHE 26 9.134 -0.860 -1.862 186 HD1 PHE 26 HD1 PHE 26 7.680 -1.899 1.359 187 HD2 PHE 26 HD2 PHE 26 11.263 -0.937 -0.737 188 HE1 PHE 26 HE1 PHE 26 9.007 -2.845 3.199 189 HE2 PHE 26 HE2 PHE 26 12.593 -1.887 1.103 190 HZ PHE 26 HZ PHE 26 11.466 -2.841 3.074 191 H ILE 27 H ILE 27 5.813 -0.084 -0.480 192 HA ILE 27 HA ILE 27 5.721 0.297 2.452 193 HB ILE 27 HB ILE 27 3.435 0.882 0.538 194 HG12 ILE 27 HG12 ILE 27 5.052 2.734 2.318 195 HG13 ILE 27 HG13 ILE 27 5.094 2.686 0.559 196 HG21 ILE 27 HG21 ILE 27 3.527 1.047 3.557 197 HG22 ILE 27 HG22 ILE 27 2.651 -0.155 2.608 198 HG23 ILE 27 HG23 ILE 27 2.173 1.539 2.539 199 HD11 ILE 27 HD11 ILE 27 2.791 3.445 0.468 200 HD12 ILE 27 HD12 ILE 27 3.787 4.563 1.398 201 HD13 ILE 27 HD13 ILE 27 2.706 3.445 2.230 202 H ARG 28 H ARG 28 5.299 -1.656 3.445 203 HA ARG 28 HA ARG 28 4.223 -3.804 1.737 204 HB2 ARG 28 HB2 ARG 28 6.461 -4.087 2.875 205 HB3 ARG 28 HB3 ARG 28 5.600 -4.156 4.407 206 HG2 ARG 28 HG2 ARG 28 4.404 -6.137 3.691 207 HG3 ARG 28 HG3 ARG 28 5.130 -6.033 2.088 208 HD2 ARG 28 HD2 ARG 28 6.341 -7.699 3.254 209 HD3 ARG 28 HD3 ARG 28 7.378 -6.273 3.217 210 HE ARG 28 HE ARG 28 5.752 -6.551 5.594 211 HH11 ARG 28 HH11 ARG 28 8.796 -7.205 4.108 212 HH12 ARG 28 HH12 ARG 28 9.587 -7.485 5.621 213 HH21 ARG 28 HH21 ARG 28 6.764 -6.915 7.501 214 HH22 ARG 28 HH22 ARG 28 8.452 -7.311 7.526 215 H LEU 29 H LEU 29 2.225 -4.515 1.987 216 HA LEU 29 HA LEU 29 0.801 -4.009 4.527 217 HB2 LEU 29 HB2 LEU 29 -0.305 -4.388 1.734 218 HB3 LEU 29 HB3 LEU 29 -1.289 -4.261 3.178 219 HG LEU 29 HG LEU 29 -0.239 -1.951 3.518 220 HD11 LEU 29 HD11 LEU 29 1.653 -2.166 2.021 221 HD12 LEU 29 HD12 LEU 29 0.613 -0.836 1.514 222 HD13 LEU 29 HD13 LEU 29 0.570 -2.369 0.642 223 HD21 LEU 29 HD21 LEU 29 -2.540 -2.281 2.782 224 HD22 LEU 29 HD22 LEU 29 -2.002 -2.406 1.106 225 HD23 LEU 29 HD23 LEU 29 -1.814 -0.886 1.985 226 H LYS 30 H LYS 30 -1.061 -5.675 4.860 227 HA LYS 30 HA LYS 30 -0.412 -8.363 3.937 228 HB2 LYS 30 HB2 LYS 30 1.035 -8.149 5.878 229 HB3 LYS 30 HB3 LYS 30 -0.313 -7.600 6.863 230 HG2 LYS 30 HG2 LYS 30 -1.383 -9.793 6.628 231 HG3 LYS 30 HG3 LYS 30 -0.035 -10.342 5.635 232 HD2 LYS 30 HD2 LYS 30 0.256 -11.166 7.888 233 HD3 LYS 30 HD3 LYS 30 1.495 -9.961 7.549 234 HE2 LYS 30 HE2 LYS 30 -1.070 -9.297 8.987 235 HE3 LYS 30 HE3 LYS 30 0.372 -9.852 9.831 236 HZ1 LYS 30 HZ1 LYS 30 0.326 -7.491 9.889 237 HZ2 LYS 30 HZ2 LYS 30 0.091 -7.372 8.219 238 HZ3 LYS 30 HZ3 LYS 30 1.561 -7.937 8.827 239 H ASN 31 H ASN 31 -2.158 -9.675 3.803 240 HA ASN 31 HA ASN 31 -4.775 -8.662 4.467 241 HB2 ASN 31 HB2 ASN 31 -4.490 -9.979 2.443 242 HB3 ASN 31 HB3 ASN 31 -3.875 -11.340 3.372 243 HD21 ASN 31 HD21 ASN 31 -5.478 -12.690 2.562 244 HD22 ASN 31 HD22 ASN 31 -7.119 -12.595 3.098 245 H THR 32 H THR 32 -5.577 -8.756 6.472 246 HA THR 32 HA THR 32 -4.726 -10.923 8.280 247 HB THR 32 HB THR 32 -5.702 -9.483 10.098 248 HG1 THR 32 HG1 THR 32 -5.727 -7.128 9.088 249 HG21 THR 32 HG21 THR 32 -3.296 -9.459 9.619 250 HG22 THR 32 HG22 THR 32 -3.860 -7.861 10.112 251 HG23 THR 32 HG23 THR 32 -3.543 -8.199 8.411 252 H SER 33 H SER 33 -7.032 -10.712 6.134 253 HA SER 33 HA SER 33 -9.391 -11.312 7.683 254 HB2 SER 33 HB2 SER 33 -9.636 -10.315 5.467 255 HB3 SER 33 HB3 SER 33 -8.826 -11.696 4.730 256 HG SER 33 HG SER 33 -11.228 -11.653 4.721 257 H GLU 34 H GLU 34 -10.600 -13.389 7.322 258 HA GLU 34 HA GLU 34 -8.835 -15.580 8.060 259 HB2 GLU 34 HB2 GLU 34 -11.858 -15.461 7.942 260 HB3 GLU 34 HB3 GLU 34 -10.910 -16.755 8.664 261 HG2 GLU 34 HG2 GLU 34 -10.045 -15.204 10.337 262 HG3 GLU 34 HG3 GLU 34 -10.960 -13.887 9.604 263 H GLN 35 H GLN 35 -9.626 -14.495 5.143 264 HA GLN 35 HA GLN 35 -9.559 -17.142 3.900 265 HB2 GLN 35 HB2 GLN 35 -11.956 -16.573 4.112 266 HB3 GLN 35 HB3 GLN 35 -11.673 -15.066 3.254 267 HG2 GLN 35 HG2 GLN 35 -10.972 -16.368 1.270 268 HG3 GLN 35 HG3 GLN 35 -11.373 -17.850 2.136 269 HE21 GLN 35 HE21 GLN 35 -12.940 -18.429 0.637 270 HE22 GLN 35 HE22 GLN 35 -14.460 -17.622 0.532 271 H ASP 36 H ASP 36 -8.967 -17.071 1.618 272 HA ASP 36 HA ASP 36 -7.054 -15.124 0.902 273 HB2 ASP 36 HB2 ASP 36 -8.558 -16.984 -0.965 274 HB3 ASP 36 HB3 ASP 36 -7.001 -16.219 -1.272 275 H GLN 37 H GLN 37 -7.395 -13.070 0.279 276 HA GLN 37 HA GLN 37 -10.101 -12.319 -0.619 277 HB2 GLN 37 HB2 GLN 37 -7.984 -10.547 0.628 278 HB3 GLN 37 HB3 GLN 37 -9.656 -10.111 0.298 279 HG2 GLN 37 HG2 GLN 37 -8.775 -12.245 2.239 280 HG3 GLN 37 HG3 GLN 37 -9.227 -10.600 2.676 281 HE21 GLN 37 HE21 GLN 37 -10.405 -13.654 1.460 282 HE22 GLN 37 HE22 GLN 37 -12.070 -13.360 1.795 283 HA PRO 38 HA PRO 38 -8.463 -10.909 -4.532 284 HB2 PRO 38 HB2 PRO 38 -10.738 -9.066 -4.730 285 HB3 PRO 38 HB3 PRO 38 -10.380 -10.506 -5.688 286 HG2 PRO 38 HG2 PRO 38 -12.429 -10.416 -3.917 287 HG3 PRO 38 HG3 PRO 38 -11.530 -11.906 -4.263 288 HD2 PRO 38 HD2 PRO 38 -11.252 -10.022 -1.937 289 HD3 PRO 38 HD3 PRO 38 -11.263 -11.800 -1.952 290 H MET 39 H MET 39 -6.645 -9.696 -4.143 291 HA MET 39 HA MET 39 -6.490 -7.293 -2.706 292 HB2 MET 39 HB2 MET 39 -4.548 -8.722 -3.248 293 HB3 MET 39 HB3 MET 39 -4.689 -8.273 -4.939 294 HG2 MET 39 HG2 MET 39 -2.931 -6.979 -4.096 295 HG3 MET 39 HG3 MET 39 -4.302 -5.879 -4.190 296 HE1 MET 39 HE1 MET 39 -5.143 -5.076 -0.527 297 HE2 MET 39 HE2 MET 39 -6.037 -6.035 -1.705 298 HE3 MET 39 HE3 MET 39 -5.239 -4.545 -2.206 299 H GLY 40 H GLY 40 -7.383 -7.911 -6.022 300 HA2 GLY 40 HA2 GLY 40 -6.944 -5.275 -7.036 301 HA3 GLY 40 HA3 GLY 40 -7.888 -6.537 -7.801 302 H GLY 41 H GLY 41 -9.134 -6.081 -4.732 303 HA2 GLY 41 HA2 GLY 41 -11.311 -4.417 -5.791 304 HA3 GLY 41 HA3 GLY 41 -11.348 -5.358 -4.310 305 H TRP 42 H TRP 42 -8.482 -3.594 -4.560 306 HA TRP 42 HA TRP 42 -9.527 -1.506 -2.740 307 HB2 TRP 42 HB2 TRP 42 -6.897 -3.004 -2.668 308 HB3 TRP 42 HB3 TRP 42 -7.220 -1.571 -1.698 309 HD1 TRP 42 HD1 TRP 42 -9.137 -4.929 -2.246 310 HE1 TRP 42 HE1 TRP 42 -9.870 -5.792 0.067 311 HE3 TRP 42 HE3 TRP 42 -7.206 -1.197 0.648 312 HZ2 TRP 42 HZ2 TRP 42 -9.635 -4.996 2.773 313 HZ3 TRP 42 HZ3 TRP 42 -7.491 -1.319 3.087 314 HH2 TRP 42 HH2 TRP 42 -8.683 -3.181 4.128 315 H GLU 43 H GLU 43 -8.044 0.408 -2.538 316 HA GLU 43 HA GLU 43 -6.278 1.002 -4.761 317 HB2 GLU 43 HB2 GLU 43 -8.398 1.756 -5.682 318 HB3 GLU 43 HB3 GLU 43 -8.754 2.662 -4.215 319 HG2 GLU 43 HG2 GLU 43 -6.947 4.194 -4.657 320 HG3 GLU 43 HG3 GLU 43 -6.425 3.241 -6.043 321 H MET 44 H MET 44 -4.571 2.175 -4.080 322 HA MET 44 HA MET 44 -4.597 3.219 -1.334 323 HB2 MET 44 HB2 MET 44 -2.796 1.671 -1.892 324 HB3 MET 44 HB3 MET 44 -2.311 2.683 -3.246 325 HG2 MET 44 HG2 MET 44 -1.755 4.493 -1.651 326 HG3 MET 44 HG3 MET 44 -2.152 3.406 -0.321 327 HE1 MET 44 HE1 MET 44 1.303 2.602 -3.276 328 HE2 MET 44 HE2 MET 44 0.236 3.999 -3.401 329 HE3 MET 44 HE3 MET 44 -0.397 2.378 -3.682 330 H ILE 45 H ILE 45 -4.995 5.329 -1.057 331 HA ILE 45 HA ILE 45 -4.281 7.245 -3.189 332 HB ILE 45 HB ILE 45 -6.174 7.609 -0.850 333 HG12 ILE 45 HG12 ILE 45 -6.762 7.165 -3.795 334 HG13 ILE 45 HG13 ILE 45 -7.013 5.984 -2.514 335 HG21 ILE 45 HG21 ILE 45 -6.869 9.667 -2.003 336 HG22 ILE 45 HG22 ILE 45 -5.630 9.394 -3.228 337 HG23 ILE 45 HG23 ILE 45 -5.162 9.715 -1.559 338 HD11 ILE 45 HD11 ILE 45 -9.096 7.033 -3.177 339 HD12 ILE 45 HD12 ILE 45 -8.441 8.622 -2.788 340 HD13 ILE 45 HD13 ILE 45 -8.699 7.437 -1.507 341 H ARG 46 H ARG 46 -2.385 8.292 -2.861 342 HA ARG 46 HA ARG 46 -1.398 8.606 -0.111 343 HB2 ARG 46 HB2 ARG 46 0.104 7.528 -1.757 344 HB3 ARG 46 HB3 ARG 46 0.086 9.004 -2.720 345 HG2 ARG 46 HG2 ARG 46 1.008 10.209 -0.713 346 HG3 ARG 46 HG3 ARG 46 1.212 8.635 0.050 347 HD2 ARG 46 HD2 ARG 46 2.505 9.560 -2.513 348 HD3 ARG 46 HD3 ARG 46 3.295 9.397 -0.948 349 HE ARG 46 HE ARG 46 2.815 7.339 -2.845 350 HH11 ARG 46 HH11 ARG 46 3.013 7.899 0.553 351 HH12 ARG 46 HH12 ARG 46 3.528 6.291 0.897 352 HH21 ARG 46 HH21 ARG 46 3.503 5.289 -2.394 353 HH22 ARG 46 HH22 ARG 46 3.811 4.823 -0.762 354 H LYS 47 H LYS 47 -1.809 10.491 0.877 355 HA LYS 47 HA LYS 47 -1.852 12.994 -0.659 356 HB2 LYS 47 HB2 LYS 47 -2.437 12.441 2.266 357 HB3 LYS 47 HB3 LYS 47 -2.550 14.022 1.503 358 HG2 LYS 47 HG2 LYS 47 -4.315 13.194 0.025 359 HG3 LYS 47 HG3 LYS 47 -4.198 11.600 0.773 360 HD2 LYS 47 HD2 LYS 47 -6.085 12.869 1.681 361 HD3 LYS 47 HD3 LYS 47 -4.876 12.547 2.925 362 HE2 LYS 47 HE2 LYS 47 -5.728 14.837 3.070 363 HE3 LYS 47 HE3 LYS 47 -4.008 14.819 2.682 364 HZ1 LYS 47 HZ1 LYS 47 -5.296 16.426 1.360 365 HZ2 LYS 47 HZ2 LYS 47 -6.179 15.153 0.686 366 HZ3 LYS 47 HZ3 LYS 47 -4.517 15.277 0.398 367 H ILE 48 H ILE 48 0.120 13.824 -1.063 368 HA ILE 48 HA ILE 48 2.223 13.507 0.986 369 HB ILE 48 HB ILE 48 2.763 12.120 -0.881 370 HG12 ILE 48 HG12 ILE 48 4.428 14.650 -1.049 371 HG13 ILE 48 HG13 ILE 48 4.635 13.376 0.149 372 HG21 ILE 48 HG21 ILE 48 1.342 13.145 -2.568 373 HG22 ILE 48 HG22 ILE 48 2.986 12.953 -3.174 374 HG23 ILE 48 HG23 ILE 48 2.417 14.542 -2.653 375 HD11 ILE 48 HD11 ILE 48 6.289 13.196 -1.603 376 HD12 ILE 48 HD12 ILE 48 5.023 13.104 -2.826 377 HD13 ILE 48 HD13 ILE 48 5.205 11.806 -1.643 378 H GLY 49 H GLY 49 2.418 15.394 2.006 379 HA2 GLY 49 HA2 GLY 49 3.023 17.562 2.391 380 HA3 GLY 49 HA3 GLY 49 3.781 17.526 0.812 381 H ASP 50 H ASP 50 2.664 18.358 -0.976 382 HA ASP 50 HA ASP 50 0.481 20.196 -0.232 383 HB2 ASP 50 HB2 ASP 50 2.690 21.124 -1.039 384 HB3 ASP 50 HB3 ASP 50 2.331 20.422 -2.613 385 H THR 51 H THR 51 1.129 17.424 -2.146 386 HA THR 51 HA THR 51 -1.343 17.881 -3.708 387 HB THR 51 HB THR 51 0.616 18.231 -5.172 388 HG1 THR 51 HG1 THR 51 -0.620 17.394 -6.661 389 HG21 THR 51 HG21 THR 51 2.071 16.355 -5.771 390 HG22 THR 51 HG22 THR 51 1.262 15.336 -4.579 391 HG23 THR 51 HG23 THR 51 2.206 16.731 -4.053 392 H SER 52 H SER 52 -1.624 15.528 -5.014 393 HA SER 52 HA SER 52 -1.349 13.297 -3.179 394 HB2 SER 52 HB2 SER 52 -3.802 12.849 -3.083 395 HB3 SER 52 HB3 SER 52 -3.347 14.339 -2.258 396 HG SER 52 HG SER 52 -4.041 15.491 -4.108 397 H VAL 53 H VAL 53 -1.665 11.295 -4.135 398 HA VAL 53 HA VAL 53 -2.679 11.062 -6.844 399 HB VAL 53 HB VAL 53 -0.382 11.723 -7.300 400 HG11 VAL 53 HG11 VAL 53 0.646 11.087 -5.185 401 HG12 VAL 53 HG12 VAL 53 1.538 10.399 -6.541 402 HG13 VAL 53 HG13 VAL 53 0.460 9.380 -5.587 403 HG21 VAL 53 HG21 VAL 53 0.355 9.790 -8.639 404 HG22 VAL 53 HG22 VAL 53 -1.372 10.102 -8.814 405 HG23 VAL 53 HG23 VAL 53 -0.814 8.771 -7.799 406 H SER 54 H SER 54 -3.205 8.872 -7.404 407 HA SER 54 HA SER 54 -3.153 7.057 -5.067 408 HB2 SER 54 HB2 SER 54 -5.404 6.293 -5.679 409 HB3 SER 54 HB3 SER 54 -5.383 8.029 -5.375 410 HG SER 54 HG SER 54 -6.548 7.668 -7.239 411 H TYR 55 H TYR 55 -3.699 4.776 -5.606 412 HA TYR 55 HA TYR 55 -2.781 3.867 -8.238 413 HB2 TYR 55 HB2 TYR 55 -0.767 3.707 -6.990 414 HB3 TYR 55 HB3 TYR 55 -1.602 3.099 -5.566 415 HD1 TYR 55 HD1 TYR 55 -1.143 2.110 -9.168 416 HD2 TYR 55 HD2 TYR 55 -1.303 0.849 -5.097 417 HE1 TYR 55 HE1 TYR 55 -0.642 -0.196 -9.865 418 HE2 TYR 55 HE2 TYR 55 -0.801 -1.456 -5.787 419 HH TYR 55 HH TYR 55 -0.956 -2.868 -7.750 420 H LYS 56 H LYS 56 -4.518 2.771 -8.966 421 HA LYS 56 HA LYS 56 -6.236 1.260 -7.208 422 HB2 LYS 56 HB2 LYS 56 -7.105 2.420 -9.222 423 HB3 LYS 56 HB3 LYS 56 -6.160 1.336 -10.236 424 HG2 LYS 56 HG2 LYS 56 -7.438 -0.574 -9.308 425 HG3 LYS 56 HG3 LYS 56 -8.430 0.573 -8.404 426 HD2 LYS 56 HD2 LYS 56 -9.172 1.593 -10.504 427 HD3 LYS 56 HD3 LYS 56 -8.158 0.471 -11.414 428 HE2 LYS 56 HE2 LYS 56 -10.534 -0.218 -9.685 429 HE3 LYS 56 HE3 LYS 56 -10.434 -0.328 -11.443 430 HZ1 LYS 56 HZ1 LYS 56 -8.878 -1.937 -9.488 431 HZ2 LYS 56 HZ2 LYS 56 -8.688 -2.013 -11.167 432 HZ3 LYS 56 HZ3 LYS 56 -10.144 -2.494 -10.456 433 H TYR 57 H TYR 57 -5.942 -0.815 -6.607 434 HA TYR 57 HA TYR 57 -3.640 -2.274 -7.427 435 HB2 TYR 57 HB2 TYR 57 -6.040 -3.029 -5.753 436 HB3 TYR 57 HB3 TYR 57 -4.719 -4.148 -6.070 437 HD1 TYR 57 HD1 TYR 57 -5.398 -0.751 -4.656 438 HD2 TYR 57 HD2 TYR 57 -2.850 -4.159 -4.678 439 HE1 TYR 57 HE1 TYR 57 -4.142 0.178 -2.756 440 HE2 TYR 57 HE2 TYR 57 -1.589 -3.237 -2.785 441 HH TYR 57 HH TYR 57 -2.691 -0.654 -0.920 442 H THR 58 H THR 58 -3.522 -2.983 -9.494 443 HA THR 58 HA THR 58 -5.713 -4.052 -10.973 444 HB THR 58 HB THR 58 -3.888 -3.089 -12.202 445 HG1 THR 58 HG1 THR 58 -4.707 -4.641 -13.469 446 HG21 THR 58 HG21 THR 58 -2.122 -5.233 -11.007 447 HG22 THR 58 HG22 THR 58 -2.058 -3.509 -10.635 448 HG23 THR 58 HG23 THR 58 -1.641 -4.081 -12.250 449 H SER 59 H SER 59 -6.586 -6.033 -10.892 450 HA SER 59 HA SER 59 -5.460 -7.953 -9.035 451 HB2 SER 59 HB2 SER 59 -7.882 -7.485 -8.994 452 HB3 SER 59 HB3 SER 59 -8.033 -8.124 -10.629 453 HG SER 59 HG SER 59 -8.065 -10.064 -9.831 454 H ARG 60 H ARG 60 -3.559 -8.507 -10.312 455 HA ARG 60 HA ARG 60 -4.164 -10.474 -12.427 456 HB2 ARG 60 HB2 ARG 60 -1.701 -10.423 -12.881 457 HB3 ARG 60 HB3 ARG 60 -2.524 -8.896 -13.163 458 HG2 ARG 60 HG2 ARG 60 -1.648 -7.964 -11.145 459 HG3 ARG 60 HG3 ARG 60 -1.004 -9.527 -10.639 460 HD2 ARG 60 HD2 ARG 60 0.777 -8.124 -11.503 461 HD3 ARG 60 HD3 ARG 60 0.530 -9.515 -12.553 462 HE ARG 60 HE ARG 60 -0.969 -7.368 -13.552 463 HH11 ARG 60 HH11 ARG 60 2.325 -8.295 -13.151 464 HH12 ARG 60 HH12 ARG 60 2.870 -7.362 -14.496 465 HH21 ARG 60 HH21 ARG 60 -0.260 -6.202 -15.296 466 HH22 ARG 60 HH22 ARG 60 1.421 -6.201 -15.705 467 H TYR 61 H TYR 61 -3.938 -10.484 -9.209 468 HA TYR 61 HA TYR 61 -3.553 -13.313 -9.079 469 HB2 TYR 61 HB2 TYR 61 -1.646 -13.414 -7.617 470 HB3 TYR 61 HB3 TYR 61 -1.177 -12.493 -9.039 471 HD1 TYR 61 HD1 TYR 61 -1.083 -9.948 -8.850 472 HD2 TYR 61 HD2 TYR 61 -1.442 -12.497 -5.451 473 HE1 TYR 61 HE1 TYR 61 -0.305 -8.123 -7.400 474 HE2 TYR 61 HE2 TYR 61 -0.665 -10.674 -3.995 475 HH TYR 61 HH TYR 61 0.675 -8.599 -4.204 476 H VAL 62 H VAL 62 -3.809 -14.103 -6.750 477 HA VAL 62 HA VAL 62 -5.752 -12.367 -5.364 478 HB VAL 62 HB VAL 62 -6.547 -14.396 -4.222 479 HG11 VAL 62 HG11 VAL 62 -6.435 -14.642 -7.231 480 HG12 VAL 62 HG12 VAL 62 -7.619 -13.729 -6.297 481 HG13 VAL 62 HG13 VAL 62 -7.572 -15.488 -6.180 482 HG21 VAL 62 HG21 VAL 62 -5.770 -16.612 -4.920 483 HG22 VAL 62 HG22 VAL 62 -4.460 -15.676 -4.197 484 HG23 VAL 62 HG23 VAL 62 -4.548 -15.866 -5.950 485 H LEU 63 H LEU 63 -5.697 -12.104 -3.082 486 HA LEU 63 HA LEU 63 -2.986 -12.328 -1.957 487 HB2 LEU 63 HB2 LEU 63 -3.974 -10.062 -2.103 488 HB3 LEU 63 HB3 LEU 63 -5.297 -10.585 -1.078 489 HG LEU 63 HG LEU 63 -3.757 -10.923 0.789 490 HD11 LEU 63 HD11 LEU 63 -1.766 -11.574 -0.473 491 HD12 LEU 63 HD12 LEU 63 -1.418 -10.254 0.641 492 HD13 LEU 63 HD13 LEU 63 -1.609 -9.925 -1.082 493 HD21 LEU 63 HD21 LEU 63 -3.426 -8.215 -0.508 494 HD22 LEU 63 HD22 LEU 63 -3.177 -8.585 1.199 495 HD23 LEU 63 HD23 LEU 63 -4.788 -8.724 0.494 496 H LYS 64 H LYS 64 -2.802 -14.220 -0.912 497 HA LYS 64 HA LYS 64 -4.933 -15.702 0.171 498 HB2 LYS 64 HB2 LYS 64 -1.979 -15.922 0.783 499 HB3 LYS 64 HB3 LYS 64 -3.193 -17.144 1.144 500 HG2 LYS 64 HG2 LYS 64 -3.637 -17.387 -1.268 501 HG3 LYS 64 HG3 LYS 64 -2.369 -16.203 -1.604 502 HD2 LYS 64 HD2 LYS 64 -1.996 -18.856 -0.199 503 HD3 LYS 64 HD3 LYS 64 -1.552 -18.503 -1.869 504 HE2 LYS 64 HE2 LYS 64 -0.410 -17.097 0.552 505 HE3 LYS 64 HE3 LYS 64 0.366 -18.435 -0.291 506 HZ1 LYS 64 HZ1 LYS 64 -0.308 -15.812 -1.515 507 HZ2 LYS 64 HZ2 LYS 64 0.485 -17.092 -2.279 508 HZ3 LYS 64 HZ3 LYS 64 1.232 -16.279 -0.999 509 H ALA 65 H ALA 65 -5.191 -16.433 2.418 510 HA ALA 65 HA ALA 65 -5.493 -14.305 4.253 511 HB1 ALA 65 HB1 ALA 65 -6.877 -16.337 4.295 512 HB2 ALA 65 HB2 ALA 65 -6.141 -16.012 5.865 513 HB3 ALA 65 HB3 ALA 65 -5.478 -17.274 4.825 514 H GLY 66 H GLY 66 -4.024 -13.330 5.531 515 HA2 GLY 66 HA2 GLY 66 -2.218 -13.052 6.952 516 HA3 GLY 66 HA3 GLY 66 -1.935 -14.785 6.880 517 H GLN 67 H GLN 67 -2.126 -13.060 3.880 518 HA GLN 67 HA GLN 67 0.721 -13.602 3.417 519 HB2 GLN 67 HB2 GLN 67 -0.896 -14.493 1.806 520 HB3 GLN 67 HB3 GLN 67 -1.494 -12.875 1.483 521 HG2 GLN 67 HG2 GLN 67 -0.028 -13.661 -0.296 522 HG3 GLN 67 HG3 GLN 67 0.660 -12.253 0.514 523 HE21 GLN 67 HE21 GLN 67 2.597 -12.456 1.554 524 HE22 GLN 67 HE22 GLN 67 3.533 -13.909 1.568 525 H THR 68 H THR 68 2.229 -12.052 3.222 526 HA THR 68 HA THR 68 1.457 -9.226 3.308 527 HB THR 68 HB THR 68 3.876 -8.787 3.624 528 HG1 THR 68 HG1 THR 68 5.142 -10.817 4.068 529 HG21 THR 68 HG21 THR 68 2.457 -9.204 5.587 530 HG22 THR 68 HG22 THR 68 4.101 -9.794 5.840 531 HG23 THR 68 HG23 THR 68 2.802 -10.933 5.469 532 H VAL 69 H VAL 69 1.989 -7.711 1.742 533 HA VAL 69 HA VAL 69 3.419 -8.593 -0.675 534 HB VAL 69 HB VAL 69 1.804 -7.276 -2.094 535 HG11 VAL 69 HG11 VAL 69 0.127 -9.059 -2.214 536 HG12 VAL 69 HG12 VAL 69 0.679 -9.686 -0.660 537 HG13 VAL 69 HG13 VAL 69 1.759 -9.712 -2.056 538 HG21 VAL 69 HG21 VAL 69 0.085 -7.384 0.396 539 HG22 VAL 69 HG22 VAL 69 -0.455 -6.876 -1.205 540 HG23 VAL 69 HG23 VAL 69 0.761 -5.933 -0.345 541 H THR 70 H THR 70 4.566 -6.972 -1.769 542 HA THR 70 HA THR 70 5.014 -4.523 -0.176 543 HB THR 70 HB THR 70 6.841 -5.733 -2.267 544 HG1 THR 70 HG1 THR 70 7.040 -7.196 -0.715 545 HG21 THR 70 HG21 THR 70 7.342 -3.652 -0.132 546 HG22 THR 70 HG22 THR 70 7.219 -3.349 -1.867 547 HG23 THR 70 HG23 THR 70 8.553 -4.314 -1.232 548 H ILE 71 H ILE 71 4.496 -2.573 -1.003 549 HA ILE 71 HA ILE 71 3.852 -2.346 -3.865 550 HB ILE 71 HB ILE 71 3.272 -0.370 -1.642 551 HG12 ILE 71 HG12 ILE 71 2.021 -2.459 -1.305 552 HG13 ILE 71 HG13 ILE 71 0.938 -1.160 -1.783 553 HG21 ILE 71 HG21 ILE 71 1.748 0.664 -3.286 554 HG22 ILE 71 HG22 ILE 71 2.299 -0.487 -4.504 555 HG23 ILE 71 HG23 ILE 71 3.427 0.691 -3.830 556 HD11 ILE 71 HD11 ILE 71 0.368 -3.244 -2.879 557 HD12 ILE 71 HD12 ILE 71 1.981 -3.335 -3.580 558 HD13 ILE 71 HD13 ILE 71 0.884 -2.037 -4.057 559 H TRP 72 H TRP 72 5.686 -1.900 -4.978 560 HA TRP 72 HA TRP 72 7.742 -0.138 -3.939 561 HB2 TRP 72 HB2 TRP 72 7.485 -1.455 -6.657 562 HB3 TRP 72 HB3 TRP 72 8.919 -0.640 -6.045 563 HD1 TRP 72 HD1 TRP 72 7.010 -3.921 -5.806 564 HE1 TRP 72 HE1 TRP 72 8.440 -5.630 -4.518 565 HE3 TRP 72 HE3 TRP 72 10.708 -0.804 -4.157 566 HZ2 TRP 72 HZ2 TRP 72 10.818 -5.655 -2.996 567 HZ3 TRP 72 HZ3 TRP 72 12.522 -1.745 -2.787 568 HH2 TRP 72 HH2 TRP 72 12.577 -4.120 -2.216 569 H ALA 73 H ALA 73 8.604 1.661 -5.382 570 HA ALA 73 HA ALA 73 6.394 3.089 -6.737 571 HB1 ALA 73 HB1 ALA 73 8.501 4.359 -4.990 572 HB2 ALA 73 HB2 ALA 73 6.828 4.052 -4.521 573 HB3 ALA 73 HB3 ALA 73 7.184 5.191 -5.820 574 H ALA 74 H ALA 74 7.038 2.567 -8.803 575 HA ALA 74 HA ALA 74 8.107 2.746 -10.796 576 HB1 ALA 74 HB1 ALA 74 8.851 5.456 -9.716 577 HB2 ALA 74 HB2 ALA 74 7.292 5.028 -10.425 578 HB3 ALA 74 HB3 ALA 74 8.753 4.989 -11.414 579 H ASN 75 H ASN 75 10.499 4.713 -9.038 580 HA ASN 75 HA ASN 75 12.627 3.489 -10.549 581 HB2 ASN 75 HB2 ASN 75 12.619 5.629 -8.411 582 HB3 ASN 75 HB3 ASN 75 14.063 5.120 -9.285 583 HD21 ASN 75 HD21 ASN 75 14.257 5.631 -11.471 584 HD22 ASN 75 HD22 ASN 75 13.267 6.832 -12.220 585 H ALA 76 H ALA 76 11.319 1.657 -8.750 586 HA ALA 76 HA ALA 76 13.135 1.129 -6.569 587 HB1 ALA 76 HB1 ALA 76 10.952 -0.621 -7.709 588 HB2 ALA 76 HB2 ALA 76 10.735 0.574 -6.429 589 HB3 ALA 76 HB3 ALA 76 11.765 -0.830 -6.158 590 H GLY 77 H GLY 77 13.176 0.508 -9.907 591 HA2 GLY 77 HA2 GLY 77 14.856 -0.496 -11.156 592 HA3 GLY 77 HA3 GLY 77 15.579 -1.082 -9.667 593 H VAL 78 H VAL 78 13.412 -2.534 -8.641 594 HA VAL 78 HA VAL 78 13.760 -5.033 -9.780 595 HB VAL 78 HB VAL 78 11.895 -5.799 -8.397 596 HG11 VAL 78 HG11 VAL 78 12.713 -5.027 -6.213 597 HG12 VAL 78 HG12 VAL 78 13.574 -3.704 -7.001 598 HG13 VAL 78 HG13 VAL 78 14.048 -5.373 -7.312 599 HG21 VAL 78 HG21 VAL 78 10.296 -4.009 -8.824 600 HG22 VAL 78 HG22 VAL 78 11.321 -2.857 -7.968 601 HG23 VAL 78 HG23 VAL 78 10.553 -4.180 -7.088 602 H THR 79 H THR 79 12.220 -6.474 -10.811 603 HA THR 79 HA THR 79 11.029 -5.375 -13.151 604 HB THR 79 HB THR 79 10.182 -7.664 -13.570 605 HG1 THR 79 HG1 THR 79 10.264 -7.900 -10.957 606 HG21 THR 79 HG21 THR 79 12.496 -7.102 -14.186 607 HG22 THR 79 HG22 THR 79 12.357 -8.791 -13.697 608 HG23 THR 79 HG23 THR 79 13.044 -7.607 -12.586 609 H ALA 80 H ALA 80 8.925 -4.912 -13.652 610 HA ALA 80 HA ALA 80 7.120 -4.461 -11.427 611 HB1 ALA 80 HB1 ALA 80 5.779 -3.230 -13.048 612 HB2 ALA 80 HB2 ALA 80 6.794 -3.829 -14.361 613 HB3 ALA 80 HB3 ALA 80 7.474 -2.748 -13.147 614 H SER 81 H SER 81 7.475 -7.229 -11.886 615 HA SER 81 HA SER 81 4.817 -8.020 -12.888 616 HB2 SER 81 HB2 SER 81 7.427 -9.437 -13.479 617 HB3 SER 81 HB3 SER 81 5.828 -10.082 -13.857 618 HG SER 81 HG SER 81 6.917 -8.942 -15.611 619 HA PRO 82 HA PRO 82 4.505 -9.862 -8.660 620 HB2 PRO 82 HB2 PRO 82 2.008 -10.354 -10.288 621 HB3 PRO 82 HB3 PRO 82 2.155 -10.034 -8.553 622 HG2 PRO 82 HG2 PRO 82 1.471 -8.066 -10.126 623 HG3 PRO 82 HG3 PRO 82 2.726 -7.781 -8.902 624 HD2 PRO 82 HD2 PRO 82 3.005 -8.175 -11.852 625 HD3 PRO 82 HD3 PRO 82 3.919 -7.111 -10.763 626 HA PRO 83 HA PRO 83 1.878 -11.733 -8.621 627 HB2 PRO 83 HB2 PRO 83 1.922 -14.300 -7.317 628 HB3 PRO 83 HB3 PRO 83 0.896 -13.763 -8.651 629 HG2 PRO 83 HG2 PRO 83 2.816 -15.700 -8.920 630 HG3 PRO 83 HG3 PRO 83 2.283 -14.652 -10.253 631 HD2 PRO 83 HD2 PRO 83 4.666 -14.324 -8.435 632 HD3 PRO 83 HD3 PRO 83 4.604 -14.253 -10.215 633 H THR 84 H THR 84 4.954 -12.037 -7.379 634 HA THR 84 HA THR 84 4.471 -12.276 -4.595 635 HB THR 84 HB THR 84 6.746 -11.371 -4.275 636 HG1 THR 84 HG1 THR 84 7.587 -10.129 -5.754 637 HG21 THR 84 HG21 THR 84 6.579 -13.340 -6.565 638 HG22 THR 84 HG22 THR 84 6.480 -13.745 -4.852 639 HG23 THR 84 HG23 THR 84 7.974 -13.086 -5.516 640 H ASP 85 H ASP 85 5.607 -9.303 -6.250 641 HA ASP 85 HA ASP 85 4.085 -7.727 -4.258 642 HB2 ASP 85 HB2 ASP 85 6.700 -6.851 -5.486 643 HB3 ASP 85 HB3 ASP 85 5.890 -6.200 -4.064 644 H LEU 86 H LEU 86 3.801 -5.381 -4.948 645 HA LEU 86 HA LEU 86 3.129 -5.220 -7.824 646 HB2 LEU 86 HB2 LEU 86 1.761 -4.043 -5.411 647 HB3 LEU 86 HB3 LEU 86 1.429 -3.487 -7.042 648 HG LEU 86 HG LEU 86 1.015 -6.330 -6.082 649 HD11 LEU 86 HD11 LEU 86 -0.997 -4.113 -6.504 650 HD12 LEU 86 HD12 LEU 86 -0.539 -4.835 -4.960 651 HD13 LEU 86 HD13 LEU 86 -1.383 -5.802 -6.168 652 HD21 LEU 86 HD21 LEU 86 0.228 -4.942 -8.650 653 HD22 LEU 86 HD22 LEU 86 -0.223 -6.587 -8.193 654 HD23 LEU 86 HD23 LEU 86 1.470 -6.180 -8.471 655 H ILE 87 H ILE 87 3.888 -3.523 -8.990 656 HA ILE 87 HA ILE 87 5.571 -1.557 -7.571 657 HB ILE 87 HB ILE 87 5.768 -2.573 -10.421 658 HG12 ILE 87 HG12 ILE 87 8.101 -3.219 -9.647 659 HG13 ILE 87 HG13 ILE 87 7.589 -2.837 -8.008 660 HG21 ILE 87 HG21 ILE 87 7.700 -1.100 -10.689 661 HG22 ILE 87 HG22 ILE 87 7.425 -0.430 -9.082 662 HG23 ILE 87 HG23 ILE 87 6.236 -0.171 -10.361 663 HD11 ILE 87 HD11 ILE 87 6.367 -4.947 -9.776 664 HD12 ILE 87 HD12 ILE 87 5.906 -4.583 -8.112 665 HD13 ILE 87 HD13 ILE 87 7.510 -5.225 -8.461 666 H TRP 88 H TRP 88 4.633 0.368 -7.357 667 HA TRP 88 HA TRP 88 2.545 1.288 -9.149 668 HB2 TRP 88 HB2 TRP 88 2.417 1.610 -6.693 669 HB3 TRP 88 HB3 TRP 88 3.839 2.641 -6.765 670 HD1 TRP 88 HD1 TRP 88 1.196 3.107 -9.468 671 HE1 TRP 88 HE1 TRP 88 -0.022 5.339 -9.063 672 HE3 TRP 88 HE3 TRP 88 3.137 4.261 -4.888 673 HZ2 TRP 88 HZ2 TRP 88 -0.141 7.326 -7.061 674 HZ3 TRP 88 HZ3 TRP 88 2.417 6.341 -3.791 675 HH2 TRP 88 HH2 TRP 88 0.813 7.843 -4.855 676 H LYS 89 H LYS 89 3.069 2.240 -11.034 677 HA LYS 89 HA LYS 89 5.778 3.167 -11.478 678 HB2 LYS 89 HB2 LYS 89 3.437 2.960 -13.383 679 HB3 LYS 89 HB3 LYS 89 5.105 3.281 -13.840 680 HG2 LYS 89 HG2 LYS 89 5.785 1.090 -13.066 681 HG3 LYS 89 HG3 LYS 89 4.161 0.770 -12.458 682 HD2 LYS 89 HD2 LYS 89 4.492 -0.351 -14.595 683 HD3 LYS 89 HD3 LYS 89 3.284 0.923 -14.755 684 HE2 LYS 89 HE2 LYS 89 5.006 2.406 -15.712 685 HE3 LYS 89 HE3 LYS 89 6.184 1.100 -15.590 686 HZ1 LYS 89 HZ1 LYS 89 5.300 1.216 -17.808 687 HZ2 LYS 89 HZ2 LYS 89 3.716 1.091 -17.235 688 HZ3 LYS 89 HZ3 LYS 89 4.775 -0.215 -17.081 689 H ASN 90 H ASN 90 2.909 4.750 -10.564 690 HA ASN 90 HA ASN 90 3.192 7.123 -12.130 691 HB2 ASN 90 HB2 ASN 90 1.683 6.733 -9.535 692 HB3 ASN 90 HB3 ASN 90 1.518 8.108 -10.623 693 HD21 ASN 90 HD21 ASN 90 -0.587 7.821 -11.163 694 HD22 ASN 90 HD22 ASN 90 -1.187 6.440 -12.011 695 H GLN 91 H GLN 91 3.896 6.495 -8.668 696 HA GLN 91 HA GLN 91 5.188 9.090 -8.422 697 HB2 GLN 91 HB2 GLN 91 3.787 8.306 -6.582 698 HB3 GLN 91 HB3 GLN 91 4.794 6.876 -6.394 699 HG2 GLN 91 HG2 GLN 91 6.691 8.288 -5.765 700 HG3 GLN 91 HG3 GLN 91 5.687 9.723 -5.955 701 HE21 GLN 91 HE21 GLN 91 5.965 10.331 -3.817 702 HE22 GLN 91 HE22 GLN 91 5.225 9.482 -2.509 703 H ASN 92 H ASN 92 7.300 9.442 -8.700 704 HA ASN 92 HA ASN 92 9.092 7.223 -9.224 705 HB2 ASN 92 HB2 ASN 92 9.585 10.214 -9.273 706 HB3 ASN 92 HB3 ASN 92 10.712 8.986 -9.843 707 HD21 ASN 92 HD21 ASN 92 10.183 7.793 -11.703 708 HD22 ASN 92 HD22 ASN 92 9.025 8.382 -12.848 709 H SER 93 H SER 93 8.458 6.866 -6.681 710 HA SER 93 HA SER 93 9.318 6.471 -4.616 711 HB2 SER 93 HB2 SER 93 11.379 5.819 -5.780 712 HB3 SER 93 HB3 SER 93 11.917 7.497 -5.797 713 HG SER 93 HG SER 93 11.403 5.952 -3.465 714 H TRP 94 H TRP 94 9.358 7.515 -2.662 715 HA TRP 94 HA TRP 94 9.415 10.464 -2.737 716 HB2 TRP 94 HB2 TRP 94 8.061 10.392 -0.684 717 HB3 TRP 94 HB3 TRP 94 7.283 9.508 -1.989 718 HD1 TRP 94 HD1 TRP 94 8.709 9.054 1.493 719 HE1 TRP 94 HE1 TRP 94 8.240 6.658 2.302 720 HE3 TRP 94 HE3 TRP 94 7.016 7.030 -2.887 721 HZ2 TRP 94 HZ2 TRP 94 7.275 4.236 1.236 722 HZ3 TRP 94 HZ3 TRP 94 6.339 4.664 -2.906 723 HH2 TRP 94 HH2 TRP 94 6.466 3.297 -0.888 724 H GLY 95 H GLY 95 10.136 11.471 -0.563 725 HA2 GLY 95 HA2 GLY 95 11.553 10.390 1.448 726 HA3 GLY 95 HA3 GLY 95 12.725 10.312 0.141 727 H THR 96 H THR 96 11.362 12.257 2.579 728 HA THR 96 HA THR 96 13.217 14.406 1.927 729 HB THR 96 HB THR 96 11.377 15.292 0.731 730 HG1 THR 96 HG1 THR 96 11.834 17.108 1.712 731 HG21 THR 96 HG21 THR 96 9.115 15.537 1.666 732 HG22 THR 96 HG22 THR 96 9.632 14.701 3.132 733 HG23 THR 96 HG23 THR 96 9.604 13.845 1.591 734 H GLY 97 H GLY 97 10.592 13.442 4.173 735 HA2 GLY 97 HA2 GLY 97 11.646 13.140 6.530 736 HA3 GLY 97 HA3 GLY 97 12.004 14.852 6.350 737 H GLU 98 H GLU 98 9.497 15.369 4.903 738 HA GLU 98 HA GLU 98 7.760 15.863 7.107 739 HB2 GLU 98 HB2 GLU 98 7.170 16.021 4.137 740 HB3 GLU 98 HB3 GLU 98 6.222 16.760 5.422 741 HG2 GLU 98 HG2 GLU 98 9.077 17.454 4.735 742 HG3 GLU 98 HG3 GLU 98 7.653 18.379 4.264 743 H ASP 99 H ASP 99 5.754 14.909 7.612 744 HA ASP 99 HA ASP 99 5.640 12.097 7.096 745 HB2 ASP 99 HB2 ASP 99 3.744 13.888 8.621 746 HB3 ASP 99 HB3 ASP 99 3.669 12.127 8.594 747 H VAL 100 H VAL 100 5.038 11.476 5.125 748 HA VAL 100 HA VAL 100 2.788 12.643 3.732 749 HB VAL 100 HB VAL 100 4.622 11.863 2.381 750 HG11 VAL 100 HG11 VAL 100 4.157 9.113 3.542 751 HG12 VAL 100 HG12 VAL 100 5.530 10.164 3.886 752 HG13 VAL 100 HG13 VAL 100 5.302 9.517 2.261 753 HG21 VAL 100 HG21 VAL 100 2.273 9.993 2.044 754 HG22 VAL 100 HG22 VAL 100 3.471 10.393 0.815 755 HG23 VAL 100 HG23 VAL 100 2.380 11.639 1.416 756 H LYS 101 H LYS 101 0.700 11.976 3.818 757 HA LYS 101 HA LYS 101 0.107 9.723 5.605 758 HB2 LYS 101 HB2 LYS 101 -0.869 11.899 6.178 759 HB3 LYS 101 HB3 LYS 101 -1.690 11.950 4.624 760 HG2 LYS 101 HG2 LYS 101 -3.140 10.170 5.216 761 HG3 LYS 101 HG3 LYS 101 -2.168 9.751 6.627 762 HD2 LYS 101 HD2 LYS 101 -4.212 10.923 7.287 763 HD3 LYS 101 HD3 LYS 101 -2.781 11.869 7.696 764 HE2 LYS 101 HE2 LYS 101 -3.127 13.192 5.616 765 HE3 LYS 101 HE3 LYS 101 -4.625 12.300 5.337 766 HZ1 LYS 101 HZ1 LYS 101 -4.034 13.980 7.719 767 HZ2 LYS 101 HZ2 LYS 101 -5.481 13.158 7.424 768 HZ3 LYS 101 HZ3 LYS 101 -5.019 14.435 6.421 769 H VAL 102 H VAL 102 -0.353 7.835 4.744 770 HA VAL 102 HA VAL 102 -1.371 7.654 2.000 771 HB VAL 102 HB VAL 102 0.581 6.305 2.444 772 HG11 VAL 102 HG11 VAL 102 0.337 6.073 4.865 773 HG12 VAL 102 HG12 VAL 102 0.603 4.507 4.100 774 HG13 VAL 102 HG13 VAL 102 -1.016 4.966 4.633 775 HG21 VAL 102 HG21 VAL 102 -0.240 4.091 1.782 776 HG22 VAL 102 HG22 VAL 102 -1.064 5.373 0.896 777 HG23 VAL 102 HG23 VAL 102 -1.880 4.559 2.230 778 H ILE 103 H ILE 103 -3.334 6.852 1.475 779 HA ILE 103 HA ILE 103 -5.177 6.144 3.676 780 HB ILE 103 HB ILE 103 -5.949 7.394 1.029 781 HG12 ILE 103 HG12 ILE 103 -4.539 8.976 2.289 782 HG13 ILE 103 HG13 ILE 103 -6.208 9.528 2.220 783 HG21 ILE 103 HG21 ILE 103 -7.489 7.057 3.608 784 HG22 ILE 103 HG22 ILE 103 -7.720 6.126 2.129 785 HG23 ILE 103 HG23 ILE 103 -8.079 7.852 2.148 786 HD11 ILE 103 HD11 ILE 103 -4.888 8.190 4.573 787 HD12 ILE 103 HD12 ILE 103 -6.555 8.763 4.510 788 HD13 ILE 103 HD13 ILE 103 -5.222 9.912 4.404 789 H LEU 104 H LEU 104 -6.491 4.343 3.441 790 HA LEU 104 HA LEU 104 -6.207 2.788 0.943 791 HB2 LEU 104 HB2 LEU 104 -6.721 1.803 3.753 792 HB3 LEU 104 HB3 LEU 104 -6.770 0.788 2.324 793 HG LEU 104 HG LEU 104 -4.342 2.212 3.429 794 HD11 LEU 104 HD11 LEU 104 -4.977 0.254 4.715 795 HD12 LEU 104 HD12 LEU 104 -3.504 -0.065 3.802 796 HD13 LEU 104 HD13 LEU 104 -5.047 -0.719 3.247 797 HD21 LEU 104 HD21 LEU 104 -3.083 1.063 1.658 798 HD22 LEU 104 HD22 LEU 104 -4.251 2.209 0.999 799 HD23 LEU 104 HD23 LEU 104 -4.599 0.480 0.964 800 H LYS 105 H LYS 105 -7.968 2.801 -0.291 801 HA LYS 105 HA LYS 105 -10.622 2.617 0.999 802 HB2 LYS 105 HB2 LYS 105 -9.818 4.228 -1.427 803 HB3 LYS 105 HB3 LYS 105 -11.488 3.781 -1.117 804 HG2 LYS 105 HG2 LYS 105 -11.315 4.950 1.089 805 HG3 LYS 105 HG3 LYS 105 -9.722 5.527 0.594 806 HD2 LYS 105 HD2 LYS 105 -10.651 6.766 -1.228 807 HD3 LYS 105 HD3 LYS 105 -12.228 6.007 -1.022 808 HE2 LYS 105 HE2 LYS 105 -12.359 8.219 -0.134 809 HE3 LYS 105 HE3 LYS 105 -12.379 7.093 1.223 810 HZ1 LYS 105 HZ1 LYS 105 -9.984 7.542 1.510 811 HZ2 LYS 105 HZ2 LYS 105 -10.939 8.919 1.721 812 HZ3 LYS 105 HZ3 LYS 105 -10.068 8.710 0.288 813 H ASN 106 H ASN 106 -12.263 1.487 -0.291 814 HA ASN 106 HA ASN 106 -11.086 -0.656 -1.922 815 HB2 ASN 106 HB2 ASN 106 -13.836 -0.420 -0.678 816 HB3 ASN 106 HB3 ASN 106 -13.256 -1.807 -1.591 817 HD21 ASN 106 HD21 ASN 106 -11.723 -3.159 -0.678 818 HD22 ASN 106 HD22 ASN 106 -11.367 -3.130 1.010 819 H SER 107 H SER 107 -12.914 -1.522 -3.564 820 HA SER 107 HA SER 107 -12.841 0.065 -5.809 821 HB2 SER 107 HB2 SER 107 -14.582 -1.419 -6.749 822 HB3 SER 107 HB3 SER 107 -13.341 -2.325 -5.886 823 HG SER 107 HG SER 107 -15.691 -2.809 -5.476 824 H GLN 108 H GLN 108 -15.521 -0.125 -3.469 825 HA GLN 108 HA GLN 108 -17.231 1.618 -4.978 826 HB2 GLN 108 HB2 GLN 108 -17.389 0.588 -2.140 827 HB3 GLN 108 HB3 GLN 108 -18.633 1.590 -2.876 828 HG2 GLN 108 HG2 GLN 108 -18.989 -0.126 -4.594 829 HG3 GLN 108 HG3 GLN 108 -17.753 -1.129 -3.841 830 HE21 GLN 108 HE21 GLN 108 -18.540 -0.478 -1.127 831 HE22 GLN 108 HE22 GLN 108 -20.028 -1.309 -0.841 832 H GLY 109 H GLY 109 -14.459 2.388 -3.440 833 HA2 GLY 109 HA2 GLY 109 -13.587 4.481 -2.926 834 HA3 GLY 109 HA3 GLY 109 -15.188 5.171 -3.123 835 H GLU 110 H GLU 110 -15.216 2.508 -1.064 836 HA GLU 110 HA GLU 110 -15.783 4.140 1.237 837 HB2 GLU 110 HB2 GLU 110 -16.248 1.971 2.339 838 HB3 GLU 110 HB3 GLU 110 -17.107 2.157 0.817 839 HG2 GLU 110 HG2 GLU 110 -15.031 0.863 -0.152 840 HG3 GLU 110 HG3 GLU 110 -14.856 0.328 1.518 841 H GLU 111 H GLU 111 -14.565 4.372 3.107 842 HA GLU 111 HA GLU 111 -11.698 3.792 2.754 843 HB2 GLU 111 HB2 GLU 111 -12.439 6.154 2.911 844 HB3 GLU 111 HB3 GLU 111 -13.061 5.837 4.523 845 HG2 GLU 111 HG2 GLU 111 -10.836 5.439 5.359 846 HG3 GLU 111 HG3 GLU 111 -10.168 5.555 3.729 847 H VAL 112 H VAL 112 -10.495 2.703 4.275 848 HA VAL 112 HA VAL 112 -11.925 1.707 6.668 849 HB VAL 112 HB VAL 112 -10.772 -0.485 6.388 850 HG11 VAL 112 HG11 VAL 112 -12.253 -1.328 4.627 851 HG12 VAL 112 HG12 VAL 112 -12.556 0.322 4.089 852 HG13 VAL 112 HG13 VAL 112 -13.096 -0.196 5.684 853 HG21 VAL 112 HG21 VAL 112 -10.036 0.605 3.665 854 HG22 VAL 112 HG22 VAL 112 -9.825 -1.066 4.190 855 HG23 VAL 112 HG23 VAL 112 -8.913 0.225 4.970 856 H ALA 113 H ALA 113 -8.660 2.159 5.246 857 HA ALA 113 HA ALA 113 -7.627 2.547 7.988 858 HB1 ALA 113 HB1 ALA 113 -6.257 0.934 5.833 859 HB2 ALA 113 HB2 ALA 113 -7.067 0.277 7.254 860 HB3 ALA 113 HB3 ALA 113 -5.622 1.269 7.443 861 H GLN 114 H GLN 114 -5.668 3.804 8.151 862 HA GLN 114 HA GLN 114 -4.414 5.101 5.975 863 HB2 GLN 114 HB2 GLN 114 -5.307 7.362 6.215 864 HB3 GLN 114 HB3 GLN 114 -6.594 6.242 5.789 865 HG2 GLN 114 HG2 GLN 114 -7.204 6.151 8.222 866 HG3 GLN 114 HG3 GLN 114 -6.037 7.443 8.497 867 HE21 GLN 114 HE21 GLN 114 -8.046 7.190 5.650 868 HE22 GLN 114 HE22 GLN 114 -9.040 8.555 5.993 869 H ARG 115 H ARG 115 -2.654 6.418 6.637 870 HA ARG 115 HA ARG 115 -2.390 7.517 9.234 871 HB2 ARG 115 HB2 ARG 115 -2.055 5.028 9.719 872 HB3 ARG 115 HB3 ARG 115 -0.559 5.144 8.800 873 HG2 ARG 115 HG2 ARG 115 0.046 7.058 10.420 874 HG3 ARG 115 HG3 ARG 115 -1.266 6.435 11.420 875 HD2 ARG 115 HD2 ARG 115 0.759 5.450 12.209 876 HD3 ARG 115 HD3 ARG 115 -0.132 4.193 11.347 877 HE ARG 115 HE ARG 115 1.587 5.361 9.511 878 HH11 ARG 115 HH11 ARG 115 1.881 3.628 12.472 879 HH12 ARG 115 HH12 ARG 115 3.398 2.926 12.036 880 HH21 ARG 115 HH21 ARG 115 3.532 4.451 8.965 881 HH22 ARG 115 HH22 ARG 115 4.312 3.368 10.061 882 H SER 116 H SER 116 -0.361 8.648 9.550 883 HA SER 116 HA SER 116 1.057 9.307 7.095 884 HB2 SER 116 HB2 SER 116 2.186 11.013 8.438 885 HB3 SER 116 HB3 SER 116 0.451 11.075 8.746 886 HG SER 116 HG SER 116 2.513 10.059 10.399 887 H THR 117 H THR 117 3.615 9.774 7.839 888 HA THR 117 HA THR 117 4.730 7.126 8.314 889 HB THR 117 HB THR 117 6.940 8.288 7.907 890 HG1 THR 117 HG1 THR 117 6.208 10.434 8.476 891 HG21 THR 117 HG21 THR 117 4.867 8.632 5.736 892 HG22 THR 117 HG22 THR 117 5.713 7.128 6.108 893 HG23 THR 117 HG23 THR 117 6.612 8.522 5.508 894 H VAL 118 H VAL 118 7.123 7.683 9.563 895 HA VAL 118 HA VAL 118 6.230 8.084 12.309 896 HB VAL 118 HB VAL 118 8.952 7.204 11.309 897 HG11 VAL 118 HG11 VAL 118 9.267 6.355 13.586 898 HG12 VAL 118 HG12 VAL 118 7.692 7.001 14.051 899 HG13 VAL 118 HG13 VAL 118 8.995 8.098 13.585 900 HG21 VAL 118 HG21 VAL 118 8.232 4.920 11.820 901 HG22 VAL 118 HG22 VAL 118 7.200 5.645 10.586 902 HG23 VAL 118 HG23 VAL 118 6.626 5.510 12.248 903 H PHE 119 H PHE 119 6.220 10.128 13.020 904 HA PHE 119 HA PHE 119 7.949 12.177 11.971 905 HB2 PHE 119 HB2 PHE 119 6.761 13.636 13.624 906 HB3 PHE 119 HB3 PHE 119 5.684 12.770 12.534 907 HD1 PHE 119 HD1 PHE 119 6.868 13.057 15.999 908 HD2 PHE 119 HD2 PHE 119 4.204 11.035 13.359 909 HE1 PHE 119 HE1 PHE 119 5.641 12.153 17.932 910 HE2 PHE 119 HE2 PHE 119 2.981 10.123 15.288 911 HZ PHE 119 HZ PHE 119 3.697 10.681 17.576 912 H LYS 120 H LYS 120 9.160 9.905 13.561 913 HA LYS 120 HA LYS 120 9.911 10.686 16.134 914 HB2 LYS 120 HB2 LYS 120 10.154 8.397 15.283 915 HB3 LYS 120 HB3 LYS 120 11.414 8.931 14.180 916 HG2 LYS 120 HG2 LYS 120 12.827 9.533 16.105 917 HG3 LYS 120 HG3 LYS 120 11.564 8.958 17.197 918 HD2 LYS 120 HD2 LYS 120 11.761 6.704 16.211 919 HD3 LYS 120 HD3 LYS 120 13.044 7.289 15.152 920 HE2 LYS 120 HE2 LYS 120 13.136 7.238 18.172 921 HE3 LYS 120 HE3 LYS 120 13.940 6.093 17.101 922 HZ1 LYS 120 HZ1 LYS 120 15.220 7.964 16.184 923 HZ2 LYS 120 HZ2 LYS 120 15.490 7.750 17.840 924 HZ3 LYS 120 HZ3 LYS 120 14.493 9.003 17.304 925 H THR 121 H THR 121 10.649 12.765 16.345 926 HA THR 121 HA THR 121 13.002 13.651 14.848 927 HB THR 121 HB THR 121 11.523 15.077 17.083 928 HG1 THR 121 HG1 THR 121 10.335 14.583 15.018 929 HG21 THR 121 HG21 THR 121 13.813 15.906 16.698 930 HG22 THR 121 HG22 THR 121 12.598 17.095 16.225 931 HG23 THR 121 HG23 THR 121 13.430 16.147 14.992 932 H THR 122 H THR 122 15.062 13.972 15.792 933 HA THR 122 HA THR 122 15.413 12.985 18.548 934 HB THR 122 HB THR 122 15.853 11.038 17.264 935 HG1 THR 122 HG1 THR 122 18.275 12.322 18.036 936 HG21 THR 122 HG21 THR 122 16.154 12.061 15.058 937 HG22 THR 122 HG22 THR 122 17.451 10.923 15.419 938 HG23 THR 122 HG23 THR 122 17.741 12.659 15.544 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -30.474 -21.564 -21.249 2 H2 MET 1 H2 MET 1 -31.089 -22.957 -21.984 3 H3 MET 1 H3 MET 1 -29.667 -23.039 -21.072 4 HA MET 1 HA MET 1 -32.352 -22.366 -20.018 5 HB2 MET 1 HB2 MET 1 -32.116 -24.585 -18.820 6 HB3 MET 1 HB3 MET 1 -32.381 -24.681 -20.555 7 HG2 MET 1 HG2 MET 1 -29.987 -25.067 -20.895 8 HG3 MET 1 HG3 MET 1 -29.737 -25.003 -19.149 9 HE1 MET 1 HE1 MET 1 -28.858 -27.420 -21.115 10 HE2 MET 1 HE2 MET 1 -29.266 -28.808 -20.103 11 HE3 MET 1 HE3 MET 1 -28.496 -27.389 -19.391 12 H GLY 2 H GLY 2 -32.239 -21.125 -18.288 13 HA2 GLY 2 HA2 GLY 2 -31.406 -20.930 -15.963 14 HA3 GLY 2 HA3 GLY 2 -29.794 -21.211 -16.602 15 H HIS 3 H HIS 3 -31.865 -18.863 -15.528 16 HA HIS 3 HA HIS 3 -31.003 -16.783 -17.397 17 HB2 HIS 3 HB2 HIS 3 -32.908 -16.617 -15.049 18 HB3 HIS 3 HB3 HIS 3 -32.610 -15.342 -16.226 19 HD1 HIS 3 HD1 HIS 3 -34.744 -18.211 -15.587 20 HD2 HIS 3 HD2 HIS 3 -33.456 -16.110 -18.935 21 HE1 HIS 3 HE1 HIS 3 -36.331 -18.840 -17.428 22 HE2 HIS 3 HE2 HIS 3 -35.532 -17.568 -19.442 23 H HIS 4 H HIS 4 -31.028 -17.215 -13.844 24 HA HIS 4 HA HIS 4 -28.940 -15.145 -13.636 25 HB2 HIS 4 HB2 HIS 4 -30.621 -16.297 -11.395 26 HB3 HIS 4 HB3 HIS 4 -29.619 -14.848 -11.343 27 HD1 HIS 4 HD1 HIS 4 -30.484 -13.009 -13.328 28 HD2 HIS 4 HD2 HIS 4 -33.227 -15.681 -11.718 29 HE1 HIS 4 HE1 HIS 4 -32.740 -12.030 -13.816 30 HE2 HIS 4 HE2 HIS 4 -34.384 -13.728 -12.958 31 H HIS 5 H HIS 5 -26.935 -15.979 -13.634 32 HA HIS 5 HA HIS 5 -26.274 -18.000 -11.642 33 HB2 HIS 5 HB2 HIS 5 -24.925 -19.312 -13.336 34 HB3 HIS 5 HB3 HIS 5 -26.673 -19.452 -13.481 35 HD1 HIS 5 HD1 HIS 5 -23.709 -17.835 -15.177 36 HD2 HIS 5 HD2 HIS 5 -27.719 -18.646 -15.910 37 HE1 HIS 5 HE1 HIS 5 -24.070 -17.311 -17.605 38 HE2 HIS 5 HE2 HIS 5 -26.529 -17.663 -17.983 39 H HIS 6 H HIS 6 -25.195 -16.301 -10.596 40 HA HIS 6 HA HIS 6 -22.468 -15.931 -11.558 41 HB2 HIS 6 HB2 HIS 6 -24.284 -13.608 -10.863 42 HB3 HIS 6 HB3 HIS 6 -22.531 -13.474 -10.960 43 HD1 HIS 6 HD1 HIS 6 -25.440 -12.916 -12.925 44 HD2 HIS 6 HD2 HIS 6 -21.623 -14.351 -13.722 45 HE1 HIS 6 HE1 HIS 6 -25.128 -12.651 -15.399 46 HE2 HIS 6 HE2 HIS 6 -22.832 -13.563 -15.873 47 H HIS 7 H HIS 7 -20.957 -15.695 -9.921 48 HA HIS 7 HA HIS 7 -21.840 -16.386 -7.254 49 HB2 HIS 7 HB2 HIS 7 -19.061 -15.784 -8.299 50 HB3 HIS 7 HB3 HIS 7 -19.435 -16.452 -6.710 51 HD1 HIS 7 HD1 HIS 7 -18.597 -17.455 -10.074 52 HD2 HIS 7 HD2 HIS 7 -20.832 -19.079 -6.967 53 HE1 HIS 7 HE1 HIS 7 -18.829 -19.893 -10.613 54 HE2 HIS 7 HE2 HIS 7 -20.013 -20.883 -8.630 55 H HIS 8 H HIS 8 -22.856 -14.756 -6.237 56 HA HIS 8 HA HIS 8 -22.044 -11.999 -6.662 57 HB2 HIS 8 HB2 HIS 8 -24.136 -11.483 -5.373 58 HB3 HIS 8 HB3 HIS 8 -24.387 -12.437 -6.830 59 HD1 HIS 8 HD1 HIS 8 -25.450 -14.711 -6.571 60 HD2 HIS 8 HD2 HIS 8 -24.465 -12.964 -2.924 61 HE1 HIS 8 HE1 HIS 8 -26.493 -16.174 -4.818 62 HE2 HIS 8 HE2 HIS 8 -25.795 -15.164 -2.625 63 H SER 9 H SER 9 -20.775 -14.159 -4.649 64 HA SER 9 HA SER 9 -20.871 -12.950 -2.095 65 HB2 SER 9 HB2 SER 9 -19.994 -15.224 -2.392 66 HB3 SER 9 HB3 SER 9 -18.635 -14.594 -3.321 67 HG SER 9 HG SER 9 -18.075 -14.983 -1.132 68 H HIS 10 H HIS 10 -19.981 -11.137 -1.316 69 HA HIS 10 HA HIS 10 -18.140 -9.641 -3.059 70 HB2 HIS 10 HB2 HIS 10 -19.867 -8.677 -0.767 71 HB3 HIS 10 HB3 HIS 10 -18.807 -7.654 -1.734 72 HD1 HIS 10 HD1 HIS 10 -19.542 -7.183 -4.200 73 HD2 HIS 10 HD2 HIS 10 -22.293 -9.331 -1.946 74 HE1 HIS 10 HE1 HIS 10 -21.671 -7.141 -5.525 75 HE2 HIS 10 HE2 HIS 10 -23.258 -8.605 -4.234 76 H MET 11 H MET 11 -16.097 -9.179 -2.470 77 HA MET 11 HA MET 11 -14.950 -10.338 -0.129 78 HB2 MET 11 HB2 MET 11 -13.765 -8.294 -2.030 79 HB3 MET 11 HB3 MET 11 -12.867 -9.247 -0.852 80 HG2 MET 11 HG2 MET 11 -14.336 -10.268 -3.275 81 HG3 MET 11 HG3 MET 11 -12.592 -10.241 -3.014 82 HE1 MET 11 HE1 MET 11 -13.590 -14.080 -2.938 83 HE2 MET 11 HE2 MET 11 -12.614 -12.860 -3.754 84 HE3 MET 11 HE3 MET 11 -14.370 -12.827 -3.902 85 H THR 12 H THR 12 -15.084 -9.569 1.879 86 HA THR 12 HA THR 12 -16.378 -7.124 2.471 87 HB THR 12 HB THR 12 -16.513 -9.076 3.959 88 HG1 THR 12 HG1 THR 12 -15.492 -6.649 5.051 89 HG21 THR 12 HG21 THR 12 -14.214 -9.879 3.794 90 HG22 THR 12 HG22 THR 12 -14.650 -9.606 5.479 91 HG23 THR 12 HG23 THR 12 -13.633 -8.439 4.632 92 H GLY 13 H GLY 13 -13.067 -7.737 1.838 93 HA2 GLY 13 HA2 GLY 13 -11.372 -6.109 1.671 94 HA3 GLY 13 HA3 GLY 13 -12.345 -5.020 2.650 95 H ASN 14 H ASN 14 -9.886 -7.458 2.670 96 HA ASN 14 HA ASN 14 -9.844 -7.470 5.629 97 HB2 ASN 14 HB2 ASN 14 -8.780 -9.611 3.780 98 HB3 ASN 14 HB3 ASN 14 -8.946 -9.705 5.530 99 HD21 ASN 14 HD21 ASN 14 -10.588 -9.825 2.491 100 HD22 ASN 14 HD22 ASN 14 -12.087 -10.435 3.098 101 H VAL 15 H VAL 15 -8.283 -5.910 3.319 102 HA VAL 15 HA VAL 15 -5.547 -6.587 4.176 103 HB VAL 15 HB VAL 15 -6.421 -4.926 1.799 104 HG11 VAL 15 HG11 VAL 15 -3.697 -5.992 2.570 105 HG12 VAL 15 HG12 VAL 15 -4.197 -4.300 2.571 106 HG13 VAL 15 HG13 VAL 15 -4.085 -5.184 1.050 107 HG21 VAL 15 HG21 VAL 15 -5.467 -7.793 1.930 108 HG22 VAL 15 HG22 VAL 15 -5.779 -6.883 0.453 109 HG23 VAL 15 HG23 VAL 15 -7.104 -7.254 1.554 110 H CYS 16 H CYS 16 -4.364 -5.243 5.376 111 HA CYS 16 HA CYS 16 -5.154 -2.403 5.595 112 HB2 CYS 16 HB2 CYS 16 -4.551 -2.473 7.994 113 HB3 CYS 16 HB3 CYS 16 -5.887 -3.557 7.621 114 HG CYS 16 HG CYS 16 -4.797 -5.727 8.482 115 H ILE 17 H ILE 17 -3.215 -1.197 6.834 116 HA ILE 17 HA ILE 17 -0.810 -1.821 5.263 117 HB ILE 17 HB ILE 17 -1.422 0.646 6.913 118 HG12 ILE 17 HG12 ILE 17 -1.589 0.252 3.910 119 HG13 ILE 17 HG13 ILE 17 -2.970 0.369 4.993 120 HG21 ILE 17 HG21 ILE 17 0.969 0.276 6.642 121 HG22 ILE 17 HG22 ILE 17 0.451 1.660 5.680 122 HG23 ILE 17 HG23 ILE 17 0.769 0.111 4.897 123 HD11 ILE 17 HD11 ILE 17 -0.947 2.533 4.453 124 HD12 ILE 17 HD12 ILE 17 -2.311 2.660 5.563 125 HD13 ILE 17 HD13 ILE 17 -2.595 2.459 3.835 126 H GLU 18 H GLU 18 0.982 -2.686 6.189 127 HA GLU 18 HA GLU 18 1.006 -2.988 9.113 128 HB2 GLU 18 HB2 GLU 18 1.172 -5.080 7.920 129 HB3 GLU 18 HB3 GLU 18 2.515 -4.477 6.955 130 HG2 GLU 18 HG2 GLU 18 3.875 -4.298 9.007 131 HG3 GLU 18 HG3 GLU 18 2.537 -4.968 9.934 132 H GLU 19 H GLU 19 3.248 -2.110 6.455 133 HA GLU 19 HA GLU 19 4.824 -0.519 8.340 134 HB2 GLU 19 HB2 GLU 19 5.714 -2.813 8.498 135 HB3 GLU 19 HB3 GLU 19 6.005 -2.820 6.767 136 HG2 GLU 19 HG2 GLU 19 7.670 -1.067 7.015 137 HG3 GLU 19 HG3 GLU 19 7.331 -0.966 8.742 138 H ILE 20 H ILE 20 5.836 1.200 7.421 139 HA ILE 20 HA ILE 20 6.027 1.357 4.476 140 HB ILE 20 HB ILE 20 5.104 3.639 6.254 141 HG12 ILE 20 HG12 ILE 20 3.485 1.967 4.305 142 HG13 ILE 20 HG13 ILE 20 3.366 1.891 6.059 143 HG21 ILE 20 HG21 ILE 20 5.353 3.427 3.249 144 HG22 ILE 20 HG22 ILE 20 6.325 4.436 4.322 145 HG23 ILE 20 HG23 ILE 20 4.607 4.776 4.109 146 HD11 ILE 20 HD11 ILE 20 2.697 4.274 4.343 147 HD12 ILE 20 HD12 ILE 20 2.588 4.208 6.103 148 HD13 ILE 20 HD13 ILE 20 1.548 3.182 5.115 149 H ASP 21 H ASP 21 7.892 2.309 3.698 150 HA ASP 21 HA ASP 21 9.974 3.000 5.602 151 HB2 ASP 21 HB2 ASP 21 10.618 1.640 3.708 152 HB3 ASP 21 HB3 ASP 21 9.959 2.820 2.579 153 H VAL 22 H VAL 22 10.509 5.016 6.202 154 HA VAL 22 HA VAL 22 8.927 7.239 5.248 155 HB VAL 22 HB VAL 22 9.394 6.955 7.652 156 HG11 VAL 22 HG11 VAL 22 12.257 7.599 6.933 157 HG12 VAL 22 HG12 VAL 22 11.651 6.043 7.504 158 HG13 VAL 22 HG13 VAL 22 11.611 7.450 8.568 159 HG21 VAL 22 HG21 VAL 22 9.965 9.286 8.149 160 HG22 VAL 22 HG22 VAL 22 8.843 9.175 6.791 161 HG23 VAL 22 HG23 VAL 22 10.553 9.498 6.500 162 H ASP 23 H ASP 23 12.160 6.051 4.712 163 HA ASP 23 HA ASP 23 13.365 8.508 3.958 164 HB2 ASP 23 HB2 ASP 23 14.625 6.482 4.654 165 HB3 ASP 23 HB3 ASP 23 14.170 5.707 3.137 166 H GLY 24 H GLY 24 11.684 6.000 2.124 167 HA2 GLY 24 HA2 GLY 24 10.302 6.897 0.271 168 HA3 GLY 24 HA3 GLY 24 11.711 7.821 -0.215 169 H LYS 25 H LYS 25 11.076 4.376 0.575 170 HA LYS 25 HA LYS 25 12.130 3.711 -2.103 171 HB2 LYS 25 HB2 LYS 25 12.708 2.237 0.473 172 HB3 LYS 25 HB3 LYS 25 13.161 1.672 -1.129 173 HG2 LYS 25 HG2 LYS 25 14.560 3.679 -1.422 174 HG3 LYS 25 HG3 LYS 25 14.135 4.193 0.211 175 HD2 LYS 25 HD2 LYS 25 15.142 2.127 1.102 176 HD3 LYS 25 HD3 LYS 25 15.592 1.653 -0.536 177 HE2 LYS 25 HE2 LYS 25 17.497 2.634 0.605 178 HE3 LYS 25 HE3 LYS 25 16.987 3.671 -0.725 179 HZ1 LYS 25 HZ1 LYS 25 16.297 4.093 2.131 180 HZ2 LYS 25 HZ2 LYS 25 15.865 5.106 0.847 181 HZ3 LYS 25 HZ3 LYS 25 17.487 4.934 1.278 182 H PHE 26 H PHE 26 10.300 2.239 0.637 183 HA PHE 26 HA PHE 26 8.499 1.017 -1.318 184 HB2 PHE 26 HB2 PHE 26 8.787 -1.241 -0.329 185 HB3 PHE 26 HB3 PHE 26 10.245 -0.647 -1.112 186 HD1 PHE 26 HD1 PHE 26 12.213 -0.066 0.196 187 HD2 PHE 26 HD2 PHE 26 8.688 -1.529 2.088 188 HE1 PHE 26 HE1 PHE 26 13.492 -0.488 2.253 189 HE2 PHE 26 HE2 PHE 26 9.967 -1.955 4.146 190 HZ PHE 26 HZ PHE 26 12.370 -1.434 4.230 191 H ILE 27 H ILE 27 6.636 -0.007 -0.425 192 HA ILE 27 HA ILE 27 5.915 0.681 2.363 193 HB ILE 27 HB ILE 27 4.063 0.734 -0.052 194 HG12 ILE 27 HG12 ILE 27 5.102 3.053 1.608 195 HG13 ILE 27 HG13 ILE 27 5.628 2.651 -0.022 196 HG21 ILE 27 HG21 ILE 27 3.523 1.429 2.838 197 HG22 ILE 27 HG22 ILE 27 2.888 0.042 1.955 198 HG23 ILE 27 HG23 ILE 27 2.394 1.673 1.503 199 HD11 ILE 27 HD11 ILE 27 3.387 3.105 -0.865 200 HD12 ILE 27 HD12 ILE 27 4.051 4.501 -0.018 201 HD13 ILE 27 HD13 ILE 27 2.842 3.485 0.768 202 H ARG 28 H ARG 28 4.259 -0.925 3.274 203 HA ARG 28 HA ARG 28 3.906 -3.334 1.653 204 HB2 ARG 28 HB2 ARG 28 6.044 -3.575 2.987 205 HB3 ARG 28 HB3 ARG 28 5.050 -3.576 4.439 206 HG2 ARG 28 HG2 ARG 28 3.870 -5.568 3.637 207 HG3 ARG 28 HG3 ARG 28 4.856 -5.563 2.174 208 HD2 ARG 28 HD2 ARG 28 5.779 -7.176 3.674 209 HD3 ARG 28 HD3 ARG 28 6.878 -5.796 3.630 210 HE ARG 28 HE ARG 28 4.991 -6.377 5.824 211 HH11 ARG 28 HH11 ARG 28 7.936 -5.008 4.680 212 HH12 ARG 28 HH12 ARG 28 8.456 -4.544 6.260 213 HH21 ARG 28 HH21 ARG 28 5.682 -5.822 7.825 214 HH22 ARG 28 HH22 ARG 28 7.210 -5.037 8.030 215 H LEU 29 H LEU 29 1.879 -3.928 1.733 216 HA LEU 29 HA LEU 29 0.225 -3.310 4.079 217 HB2 LEU 29 HB2 LEU 29 -0.485 -4.255 1.296 218 HB3 LEU 29 HB3 LEU 29 -1.657 -4.116 2.592 219 HG LEU 29 HG LEU 29 -1.098 -1.660 2.728 220 HD11 LEU 29 HD11 LEU 29 1.089 -1.689 1.661 221 HD12 LEU 29 HD12 LEU 29 -0.010 -0.623 0.789 222 HD13 LEU 29 HD13 LEU 29 0.362 -2.222 0.145 223 HD21 LEU 29 HD21 LEU 29 -3.097 -2.508 1.578 224 HD22 LEU 29 HD22 LEU 29 -2.176 -2.632 0.078 225 HD23 LEU 29 HD23 LEU 29 -2.460 -1.054 0.813 226 H LYS 30 H LYS 30 -1.510 -5.134 4.497 227 HA LYS 30 HA LYS 30 -0.262 -7.786 4.455 228 HB2 LYS 30 HB2 LYS 30 0.420 -6.463 6.529 229 HB3 LYS 30 HB3 LYS 30 -1.258 -6.565 7.035 230 HG2 LYS 30 HG2 LYS 30 -1.135 -8.946 7.227 231 HG3 LYS 30 HG3 LYS 30 0.458 -8.980 6.459 232 HD2 LYS 30 HD2 LYS 30 1.279 -7.542 8.375 233 HD3 LYS 30 HD3 LYS 30 -0.268 -7.848 9.165 234 HE2 LYS 30 HE2 LYS 30 0.178 -10.224 9.217 235 HE3 LYS 30 HE3 LYS 30 1.654 -10.002 8.277 236 HZ1 LYS 30 HZ1 LYS 30 2.177 -10.256 10.598 237 HZ2 LYS 30 HZ2 LYS 30 1.158 -8.974 11.014 238 HZ3 LYS 30 HZ3 LYS 30 2.554 -8.682 10.111 239 H ASN 31 H ASN 31 -1.749 -9.238 3.846 240 HA ASN 31 HA ASN 31 -4.561 -8.547 3.854 241 HB2 ASN 31 HB2 ASN 31 -3.545 -9.696 1.918 242 HB3 ASN 31 HB3 ASN 31 -3.192 -11.089 2.934 243 HD21 ASN 31 HD21 ASN 31 -4.444 -12.508 1.782 244 HD22 ASN 31 HD22 ASN 31 -6.166 -12.428 1.740 245 H THR 32 H THR 32 -4.990 -8.480 6.110 246 HA THR 32 HA THR 32 -4.812 -10.912 7.691 247 HB THR 32 HB THR 32 -5.970 -9.591 9.454 248 HG1 THR 32 HG1 THR 32 -6.829 -8.135 7.461 249 HG21 THR 32 HG21 THR 32 -3.651 -8.136 8.162 250 HG22 THR 32 HG22 THR 32 -3.519 -9.503 9.271 251 HG23 THR 32 HG23 THR 32 -4.173 -7.967 9.839 252 H SER 33 H SER 33 -6.137 -12.433 6.656 253 HA SER 33 HA SER 33 -8.996 -11.747 6.392 254 HB2 SER 33 HB2 SER 33 -7.981 -11.509 4.187 255 HB3 SER 33 HB3 SER 33 -7.291 -13.127 4.306 256 HG SER 33 HG SER 33 -9.104 -13.504 3.220 257 H GLU 34 H GLU 34 -10.417 -13.565 6.092 258 HA GLU 34 HA GLU 34 -9.818 -15.829 7.785 259 HB2 GLU 34 HB2 GLU 34 -12.247 -15.317 6.045 260 HB3 GLU 34 HB3 GLU 34 -12.144 -16.437 7.395 261 HG2 GLU 34 HG2 GLU 34 -12.024 -14.659 8.970 262 HG3 GLU 34 HG3 GLU 34 -11.795 -13.461 7.697 263 H GLN 35 H GLN 35 -9.835 -15.099 4.407 264 HA GLN 35 HA GLN 35 -9.101 -17.856 3.695 265 HB2 GLN 35 HB2 GLN 35 -11.550 -17.566 3.315 266 HB3 GLN 35 HB3 GLN 35 -11.206 -16.221 2.241 267 HG2 GLN 35 HG2 GLN 35 -9.976 -17.774 0.754 268 HG3 GLN 35 HG3 GLN 35 -10.440 -19.105 1.811 269 HE21 GLN 35 HE21 GLN 35 -11.603 -20.155 0.213 270 HE22 GLN 35 HE22 GLN 35 -13.114 -19.563 -0.377 271 H ASP 36 H ASP 36 -8.062 -17.967 1.514 272 HA ASP 36 HA ASP 36 -6.239 -15.820 1.066 273 HB2 ASP 36 HB2 ASP 36 -6.879 -18.095 -0.831 274 HB3 ASP 36 HB3 ASP 36 -5.399 -17.139 -0.777 275 H GLN 37 H GLN 37 -6.781 -13.914 0.154 276 HA GLN 37 HA GLN 37 -9.215 -13.818 -1.500 277 HB2 GLN 37 HB2 GLN 37 -7.864 -11.638 0.105 278 HB3 GLN 37 HB3 GLN 37 -9.315 -11.421 -0.866 279 HG2 GLN 37 HG2 GLN 37 -9.029 -13.189 1.560 280 HG3 GLN 37 HG3 GLN 37 -9.899 -11.660 1.462 281 HE21 GLN 37 HE21 GLN 37 -11.872 -11.594 0.356 282 HE22 GLN 37 HE22 GLN 37 -12.747 -13.026 -0.043 283 HA PRO 38 HA PRO 38 -6.777 -12.557 -5.026 284 HB2 PRO 38 HB2 PRO 38 -8.779 -11.811 -6.672 285 HB3 PRO 38 HB3 PRO 38 -8.508 -13.505 -6.241 286 HG2 PRO 38 HG2 PRO 38 -10.485 -11.556 -5.097 287 HG3 PRO 38 HG3 PRO 38 -10.740 -13.241 -5.598 288 HD2 PRO 38 HD2 PRO 38 -10.350 -12.506 -3.000 289 HD3 PRO 38 HD3 PRO 38 -9.847 -14.084 -3.639 290 H MET 39 H MET 39 -6.758 -10.616 -2.968 291 HA MET 39 HA MET 39 -6.276 -8.431 -2.604 292 HB2 MET 39 HB2 MET 39 -4.884 -8.724 -4.617 293 HB3 MET 39 HB3 MET 39 -6.239 -8.251 -5.626 294 HG2 MET 39 HG2 MET 39 -4.784 -6.391 -5.457 295 HG3 MET 39 HG3 MET 39 -6.207 -6.024 -4.488 296 HE1 MET 39 HE1 MET 39 -4.939 -5.658 -0.951 297 HE2 MET 39 HE2 MET 39 -6.113 -6.743 -1.699 298 HE3 MET 39 HE3 MET 39 -6.040 -5.050 -2.188 299 H GLY 40 H GLY 40 -8.142 -7.885 -5.591 300 HA2 GLY 40 HA2 GLY 40 -10.445 -7.189 -5.636 301 HA3 GLY 40 HA3 GLY 40 -10.264 -6.589 -3.998 302 H GLY 41 H GLY 41 -11.455 -4.925 -5.694 303 HA2 GLY 41 HA2 GLY 41 -9.608 -3.180 -7.057 304 HA3 GLY 41 HA3 GLY 41 -11.329 -2.911 -6.839 305 H TRP 42 H TRP 42 -8.200 -2.727 -5.181 306 HA TRP 42 HA TRP 42 -9.293 -0.779 -3.263 307 HB2 TRP 42 HB2 TRP 42 -6.638 -2.233 -3.362 308 HB3 TRP 42 HB3 TRP 42 -7.050 -1.026 -2.150 309 HD1 TRP 42 HD1 TRP 42 -8.416 -4.447 -3.389 310 HE1 TRP 42 HE1 TRP 42 -9.338 -5.708 -1.350 311 HE3 TRP 42 HE3 TRP 42 -7.707 -0.843 0.169 312 HZ2 TRP 42 HZ2 TRP 42 -9.720 -5.235 1.412 313 HZ3 TRP 42 HZ3 TRP 42 -8.381 -1.326 2.488 314 HH2 TRP 42 HH2 TRP 42 -9.367 -3.479 3.094 315 H GLU 43 H GLU 43 -8.626 1.349 -3.178 316 HA GLU 43 HA GLU 43 -6.610 2.229 -5.154 317 HB2 GLU 43 HB2 GLU 43 -8.904 3.127 -5.533 318 HB3 GLU 43 HB3 GLU 43 -8.852 3.869 -3.939 319 HG2 GLU 43 HG2 GLU 43 -6.927 5.226 -4.648 320 HG3 GLU 43 HG3 GLU 43 -7.017 4.501 -6.250 321 H MET 44 H MET 44 -4.714 2.714 -4.239 322 HA MET 44 HA MET 44 -4.621 3.456 -1.397 323 HB2 MET 44 HB2 MET 44 -3.278 1.536 -2.041 324 HB3 MET 44 HB3 MET 44 -2.461 2.480 -3.279 325 HG2 MET 44 HG2 MET 44 -1.381 3.831 -1.614 326 HG3 MET 44 HG3 MET 44 -2.313 3.067 -0.328 327 HE1 MET 44 HE1 MET 44 0.787 0.746 -2.850 328 HE2 MET 44 HE2 MET 44 0.356 2.425 -3.169 329 HE3 MET 44 HE3 MET 44 -0.831 1.148 -3.423 330 H ILE 45 H ILE 45 -4.764 5.612 -1.104 331 HA ILE 45 HA ILE 45 -3.499 7.468 -2.974 332 HB ILE 45 HB ILE 45 -5.189 8.053 -0.527 333 HG12 ILE 45 HG12 ILE 45 -6.846 8.833 -2.335 334 HG13 ILE 45 HG13 ILE 45 -5.864 7.918 -3.471 335 HG21 ILE 45 HG21 ILE 45 -5.313 10.353 -1.409 336 HG22 ILE 45 HG22 ILE 45 -4.165 9.915 -2.677 337 HG23 ILE 45 HG23 ILE 45 -3.666 9.885 -0.984 338 HD11 ILE 45 HD11 ILE 45 -7.787 6.640 -2.757 339 HD12 ILE 45 HD12 ILE 45 -7.305 6.816 -1.070 340 HD13 ILE 45 HD13 ILE 45 -6.307 5.879 -2.181 341 H ARG 46 H ARG 46 -1.451 8.145 -2.653 342 HA ARG 46 HA ARG 46 -0.283 7.924 0.027 343 HB2 ARG 46 HB2 ARG 46 0.940 6.973 -1.909 344 HB3 ARG 46 HB3 ARG 46 1.076 8.583 -2.601 345 HG2 ARG 46 HG2 ARG 46 2.520 9.309 -0.854 346 HG3 ARG 46 HG3 ARG 46 2.185 7.870 0.109 347 HD2 ARG 46 HD2 ARG 46 4.359 7.635 -0.886 348 HD3 ARG 46 HD3 ARG 46 3.263 6.490 -1.655 349 HE ARG 46 HE ARG 46 3.544 8.988 -3.073 350 HH11 ARG 46 HH11 ARG 46 4.712 5.773 -2.709 351 HH12 ARG 46 HH12 ARG 46 5.583 5.798 -4.197 352 HH21 ARG 46 HH21 ARG 46 4.679 9.009 -4.991 353 HH22 ARG 46 HH22 ARG 46 5.583 7.615 -5.469 354 H LYS 47 H LYS 47 -1.092 9.669 1.154 355 HA LYS 47 HA LYS 47 -1.015 12.334 0.056 356 HB2 LYS 47 HB2 LYS 47 -1.692 11.333 2.828 357 HB3 LYS 47 HB3 LYS 47 -1.773 13.024 2.348 358 HG2 LYS 47 HG2 LYS 47 -3.417 12.381 0.586 359 HG3 LYS 47 HG3 LYS 47 -3.410 10.743 1.245 360 HD2 LYS 47 HD2 LYS 47 -4.220 11.581 3.389 361 HD3 LYS 47 HD3 LYS 47 -4.152 13.240 2.790 362 HE2 LYS 47 HE2 LYS 47 -5.839 12.670 1.081 363 HE3 LYS 47 HE3 LYS 47 -5.924 11.032 1.729 364 HZ1 LYS 47 HZ1 LYS 47 -6.579 13.502 3.241 365 HZ2 LYS 47 HZ2 LYS 47 -6.721 11.917 3.812 366 HZ3 LYS 47 HZ3 LYS 47 -7.714 12.451 2.556 367 H ILE 48 H ILE 48 1.218 12.504 -0.417 368 HA ILE 48 HA ILE 48 3.179 12.596 1.691 369 HB ILE 48 HB ILE 48 3.728 11.996 -0.662 370 HG12 ILE 48 HG12 ILE 48 5.224 14.439 0.334 371 HG13 ILE 48 HG13 ILE 48 5.481 12.793 0.900 372 HG21 ILE 48 HG21 ILE 48 3.214 14.919 -1.225 373 HG22 ILE 48 HG22 ILE 48 2.292 13.547 -1.840 374 HG23 ILE 48 HG23 ILE 48 3.964 13.781 -2.344 375 HD11 ILE 48 HD11 ILE 48 5.965 13.822 -1.886 376 HD12 ILE 48 HD12 ILE 48 6.157 12.144 -1.373 377 HD13 ILE 48 HD13 ILE 48 7.184 13.400 -0.684 378 H GLY 49 H GLY 49 0.808 14.715 0.533 379 HA2 GLY 49 HA2 GLY 49 1.351 16.748 2.412 380 HA3 GLY 49 HA3 GLY 49 1.926 17.263 0.830 381 H ASP 50 H ASP 50 0.327 18.966 0.821 382 HA ASP 50 HA ASP 50 -2.471 18.252 0.797 383 HB2 ASP 50 HB2 ASP 50 -1.561 20.500 1.559 384 HB3 ASP 50 HB3 ASP 50 -1.260 20.865 -0.137 385 H THR 51 H THR 51 -2.467 16.656 -0.821 386 HA THR 51 HA THR 51 -3.006 17.558 -3.485 387 HB THR 51 HB THR 51 -0.546 17.574 -3.622 388 HG1 THR 51 HG1 THR 51 -0.387 15.967 -5.365 389 HG21 THR 51 HG21 THR 51 0.747 15.502 -3.390 390 HG22 THR 51 HG22 THR 51 -0.711 14.639 -2.900 391 HG23 THR 51 HG23 THR 51 -0.056 15.915 -1.873 392 H SER 52 H SER 52 -3.059 15.396 -4.971 393 HA SER 52 HA SER 52 -4.037 13.130 -3.389 394 HB2 SER 52 HB2 SER 52 -6.121 12.960 -4.691 395 HB3 SER 52 HB3 SER 52 -6.042 14.485 -3.812 396 HG SER 52 HG SER 52 -6.302 14.066 -6.452 397 H VAL 53 H VAL 53 -2.647 11.616 -4.072 398 HA VAL 53 HA VAL 53 -2.746 10.872 -6.913 399 HB VAL 53 HB VAL 53 -0.624 12.057 -6.644 400 HG11 VAL 53 HG11 VAL 53 -0.292 11.764 -4.248 401 HG12 VAL 53 HG12 VAL 53 1.132 11.233 -5.142 402 HG13 VAL 53 HG13 VAL 53 0.011 10.040 -4.482 403 HG21 VAL 53 HG21 VAL 53 -0.703 10.162 -8.183 404 HG22 VAL 53 HG22 VAL 53 -0.236 9.066 -6.882 405 HG23 VAL 53 HG23 VAL 53 0.891 10.300 -7.445 406 H SER 54 H SER 54 -2.836 8.654 -7.270 407 HA SER 54 HA SER 54 -2.535 6.863 -4.971 408 HB2 SER 54 HB2 SER 54 -4.802 5.924 -5.261 409 HB3 SER 54 HB3 SER 54 -4.853 7.629 -4.817 410 HG SER 54 HG SER 54 -6.194 7.614 -6.478 411 H TYR 55 H TYR 55 -2.626 4.621 -5.467 412 HA TYR 55 HA TYR 55 -2.470 3.896 -8.328 413 HB2 TYR 55 HB2 TYR 55 -0.226 3.735 -7.338 414 HB3 TYR 55 HB3 TYR 55 -0.849 2.719 -6.045 415 HD1 TYR 55 HD1 TYR 55 -0.255 2.850 -9.708 416 HD2 TYR 55 HD2 TYR 55 -1.057 0.365 -6.343 417 HE1 TYR 55 HE1 TYR 55 0.187 0.857 -11.077 418 HE2 TYR 55 HE2 TYR 55 -0.615 -1.633 -7.706 419 HH TYR 55 HH TYR 55 -0.601 -2.299 -10.048 420 H LYS 56 H LYS 56 -3.955 2.404 -8.918 421 HA LYS 56 HA LYS 56 -5.574 1.172 -6.823 422 HB2 LYS 56 HB2 LYS 56 -6.730 2.321 -8.662 423 HB3 LYS 56 HB3 LYS 56 -5.984 1.230 -9.823 424 HG2 LYS 56 HG2 LYS 56 -7.157 -0.659 -8.831 425 HG3 LYS 56 HG3 LYS 56 -7.883 0.406 -7.626 426 HD2 LYS 56 HD2 LYS 56 -9.045 1.629 -9.406 427 HD3 LYS 56 HD3 LYS 56 -8.299 0.583 -10.619 428 HE2 LYS 56 HE2 LYS 56 -9.427 -1.356 -9.642 429 HE3 LYS 56 HE3 LYS 56 -10.152 -0.323 -8.412 430 HZ1 LYS 56 HZ1 LYS 56 -11.703 -0.770 -10.185 431 HZ2 LYS 56 HZ2 LYS 56 -10.632 -0.144 -11.336 432 HZ3 LYS 56 HZ3 LYS 56 -11.310 0.874 -10.169 433 H TYR 57 H TYR 57 -5.804 -0.993 -6.501 434 HA TYR 57 HA TYR 57 -3.710 -2.719 -7.504 435 HB2 TYR 57 HB2 TYR 57 -5.917 -3.131 -5.478 436 HB3 TYR 57 HB3 TYR 57 -4.769 -4.389 -5.923 437 HD1 TYR 57 HD1 TYR 57 -4.967 -0.942 -4.504 438 HD2 TYR 57 HD2 TYR 57 -2.679 -4.513 -4.872 439 HE1 TYR 57 HE1 TYR 57 -3.365 -0.085 -2.849 440 HE2 TYR 57 HE2 TYR 57 -1.074 -3.667 -3.216 441 HH TYR 57 HH TYR 57 -1.680 -0.879 -1.313 442 H THR 58 H THR 58 -4.662 -5.171 -7.763 443 HA THR 58 HA THR 58 -6.873 -5.140 -9.685 444 HB THR 58 HB THR 58 -5.099 -4.738 -11.193 445 HG1 THR 58 HG1 THR 58 -5.559 -6.368 -12.471 446 HG21 THR 58 HG21 THR 58 -3.528 -6.913 -9.790 447 HG22 THR 58 HG22 THR 58 -3.211 -5.180 -9.705 448 HG23 THR 58 HG23 THR 58 -3.009 -6.039 -11.232 449 H SER 59 H SER 59 -7.785 -7.169 -10.126 450 HA SER 59 HA SER 59 -7.390 -9.126 -7.983 451 HB2 SER 59 HB2 SER 59 -9.676 -8.318 -8.472 452 HB3 SER 59 HB3 SER 59 -9.549 -8.960 -10.110 453 HG SER 59 HG SER 59 -9.237 -11.060 -9.095 454 H ARG 60 H ARG 60 -5.689 -8.804 -10.584 455 HA ARG 60 HA ARG 60 -6.092 -11.214 -12.075 456 HB2 ARG 60 HB2 ARG 60 -3.966 -10.676 -13.173 457 HB3 ARG 60 HB3 ARG 60 -5.020 -9.269 -13.091 458 HG2 ARG 60 HG2 ARG 60 -3.740 -8.321 -11.312 459 HG3 ARG 60 HG3 ARG 60 -2.785 -9.794 -11.138 460 HD2 ARG 60 HD2 ARG 60 -2.832 -8.065 -13.617 461 HD3 ARG 60 HD3 ARG 60 -1.610 -7.956 -12.348 462 HE ARG 60 HE ARG 60 -1.916 -10.592 -13.468 463 HH11 ARG 60 HH11 ARG 60 -0.268 -7.565 -13.742 464 HH12 ARG 60 HH12 ARG 60 1.047 -8.254 -14.631 465 HH21 ARG 60 HH21 ARG 60 -0.195 -11.443 -14.592 466 HH22 ARG 60 HH22 ARG 60 1.083 -10.399 -15.107 467 H TYR 61 H TYR 61 -5.074 -10.995 -8.982 468 HA TYR 61 HA TYR 61 -3.674 -13.544 -9.117 469 HB2 TYR 61 HB2 TYR 61 -1.810 -12.757 -7.681 470 HB3 TYR 61 HB3 TYR 61 -1.827 -11.966 -9.252 471 HD1 TYR 61 HD1 TYR 61 -2.326 -11.489 -5.640 472 HD2 TYR 61 HD2 TYR 61 -2.344 -9.595 -9.453 473 HE1 TYR 61 HE1 TYR 61 -2.314 -9.288 -4.543 474 HE2 TYR 61 HE2 TYR 61 -2.334 -7.392 -8.366 475 HH TYR 61 HH TYR 61 -1.745 -6.989 -5.013 476 H VAL 62 H VAL 62 -3.346 -14.497 -6.907 477 HA VAL 62 HA VAL 62 -5.491 -13.635 -5.065 478 HB VAL 62 HB VAL 62 -4.323 -16.417 -5.377 479 HG11 VAL 62 HG11 VAL 62 -6.181 -17.109 -3.904 480 HG12 VAL 62 HG12 VAL 62 -6.622 -15.414 -3.688 481 HG13 VAL 62 HG13 VAL 62 -5.067 -16.004 -3.099 482 HG21 VAL 62 HG21 VAL 62 -7.008 -15.327 -6.253 483 HG22 VAL 62 HG22 VAL 62 -6.497 -17.012 -6.359 484 HG23 VAL 62 HG23 VAL 62 -5.676 -15.781 -7.318 485 H LEU 63 H LEU 63 -4.807 -12.749 -3.222 486 HA LEU 63 HA LEU 63 -2.069 -13.215 -2.290 487 HB2 LEU 63 HB2 LEU 63 -3.376 -10.904 -2.555 488 HB3 LEU 63 HB3 LEU 63 -3.938 -11.304 -0.946 489 HG LEU 63 HG LEU 63 -2.017 -9.797 -0.855 490 HD11 LEU 63 HD11 LEU 63 -2.283 -11.365 0.979 491 HD12 LEU 63 HD12 LEU 63 -0.576 -11.064 0.662 492 HD13 LEU 63 HD13 LEU 63 -1.323 -12.566 0.116 493 HD21 LEU 63 HD21 LEU 63 -0.508 -11.985 -2.290 494 HD22 LEU 63 HD22 LEU 63 0.197 -10.512 -1.621 495 HD23 LEU 63 HD23 LEU 63 -0.951 -10.413 -2.955 496 H LYS 64 H LYS 64 -1.729 -14.733 -0.807 497 HA LYS 64 HA LYS 64 -3.710 -16.260 0.423 498 HB2 LYS 64 HB2 LYS 64 -0.820 -15.905 1.245 499 HB3 LYS 64 HB3 LYS 64 -1.877 -17.196 1.800 500 HG2 LYS 64 HG2 LYS 64 -2.059 -18.064 -0.459 501 HG3 LYS 64 HG3 LYS 64 -1.079 -16.729 -1.070 502 HD2 LYS 64 HD2 LYS 64 -0.149 -18.813 0.917 503 HD3 LYS 64 HD3 LYS 64 0.227 -18.809 -0.807 504 HE2 LYS 64 HE2 LYS 64 1.411 -16.699 -0.572 505 HE3 LYS 64 HE3 LYS 64 0.970 -16.612 1.133 506 HZ1 LYS 64 HZ1 LYS 64 2.298 -18.538 1.581 507 HZ2 LYS 64 HZ2 LYS 64 3.249 -17.414 0.747 508 HZ3 LYS 64 HZ3 LYS 64 2.631 -18.763 -0.061 509 H ALA 65 H ALA 65 -4.341 -16.498 2.619 510 HA ALA 65 HA ALA 65 -4.797 -14.063 4.035 511 HB1 ALA 65 HB1 ALA 65 -6.377 -15.938 4.095 512 HB2 ALA 65 HB2 ALA 65 -5.873 -15.464 5.716 513 HB3 ALA 65 HB3 ALA 65 -5.192 -16.910 4.970 514 H GLY 66 H GLY 66 -3.724 -13.146 5.708 515 HA2 GLY 66 HA2 GLY 66 -2.157 -12.837 7.382 516 HA3 GLY 66 HA3 GLY 66 -1.843 -14.563 7.353 517 H GLN 67 H GLN 67 -1.592 -12.929 4.344 518 HA GLN 67 HA GLN 67 1.358 -13.044 4.504 519 HB2 GLN 67 HB2 GLN 67 0.223 -14.628 2.907 520 HB3 GLN 67 HB3 GLN 67 -0.367 -13.230 2.021 521 HG2 GLN 67 HG2 GLN 67 1.561 -14.105 0.905 522 HG3 GLN 67 HG3 GLN 67 1.974 -12.544 1.613 523 HE21 GLN 67 HE21 GLN 67 1.703 -15.511 3.467 524 HE22 GLN 67 HE22 GLN 67 3.383 -15.646 3.832 525 H THR 68 H THR 68 2.576 -11.325 3.609 526 HA THR 68 HA THR 68 1.117 -8.783 3.485 527 HB THR 68 HB THR 68 3.252 -7.680 3.785 528 HG1 THR 68 HG1 THR 68 4.573 -10.185 3.914 529 HG21 THR 68 HG21 THR 68 2.174 -8.529 5.819 530 HG22 THR 68 HG22 THR 68 3.931 -8.582 5.966 531 HG23 THR 68 HG23 THR 68 3.028 -10.062 5.639 532 H VAL 69 H VAL 69 2.060 -7.106 1.946 533 HA VAL 69 HA VAL 69 3.167 -8.183 -0.534 534 HB VAL 69 HB VAL 69 0.785 -8.268 -0.984 535 HG11 VAL 69 HG11 VAL 69 -0.641 -6.276 -0.930 536 HG12 VAL 69 HG12 VAL 69 0.695 -5.331 -0.271 537 HG13 VAL 69 HG13 VAL 69 0.001 -6.651 0.671 538 HG21 VAL 69 HG21 VAL 69 0.675 -6.826 -2.971 539 HG22 VAL 69 HG22 VAL 69 2.245 -7.622 -2.829 540 HG23 VAL 69 HG23 VAL 69 2.074 -5.921 -2.390 541 H THR 70 H THR 70 4.791 -6.924 -1.203 542 HA THR 70 HA THR 70 5.164 -4.334 0.111 543 HB THR 70 HB THR 70 7.134 -5.994 -1.489 544 HG1 THR 70 HG1 THR 70 7.703 -6.843 0.401 545 HG21 THR 70 HG21 THR 70 7.602 -3.538 0.223 546 HG22 THR 70 HG22 THR 70 7.685 -3.591 -1.540 547 HG23 THR 70 HG23 THR 70 8.846 -4.502 -0.575 548 H ILE 71 H ILE 71 4.808 -2.488 -0.883 549 HA ILE 71 HA ILE 71 4.576 -2.317 -3.793 550 HB ILE 71 HB ILE 71 4.087 -0.139 -1.741 551 HG12 ILE 71 HG12 ILE 71 2.612 -2.068 -1.302 552 HG13 ILE 71 HG13 ILE 71 1.699 -0.682 -1.889 553 HG21 ILE 71 HG21 ILE 71 3.232 -0.399 -4.629 554 HG22 ILE 71 HG22 ILE 71 4.436 0.716 -3.985 555 HG23 ILE 71 HG23 ILE 71 2.741 0.893 -3.532 556 HD11 ILE 71 HD11 ILE 71 0.900 -2.740 -2.873 557 HD12 ILE 71 HD12 ILE 71 2.509 -3.087 -3.507 558 HD13 ILE 71 HD13 ILE 71 1.603 -1.698 -4.108 559 H TRP 72 H TRP 72 6.051 -1.215 -5.066 560 HA TRP 72 HA TRP 72 8.335 0.063 -3.675 561 HB2 TRP 72 HB2 TRP 72 8.304 -1.478 -6.283 562 HB3 TRP 72 HB3 TRP 72 9.690 -0.565 -5.694 563 HD1 TRP 72 HD1 TRP 72 7.693 -3.760 -4.993 564 HE1 TRP 72 HE1 TRP 72 9.093 -5.283 -3.457 565 HE3 TRP 72 HE3 TRP 72 11.516 -0.531 -3.916 566 HZ2 TRP 72 HZ2 TRP 72 11.499 -5.127 -1.982 567 HZ3 TRP 72 HZ3 TRP 72 13.326 -1.296 -2.431 568 HH2 TRP 72 HH2 TRP 72 13.315 -3.547 -1.485 569 H ALA 73 H ALA 73 9.601 1.518 -5.375 570 HA ALA 73 HA ALA 73 7.742 3.547 -6.298 571 HB1 ALA 73 HB1 ALA 73 9.811 4.174 -5.132 572 HB2 ALA 73 HB2 ALA 73 9.729 4.886 -6.743 573 HB3 ALA 73 HB3 ALA 73 10.760 3.485 -6.449 574 H ALA 74 H ALA 74 7.796 4.449 -8.477 575 HA ALA 74 HA ALA 74 7.166 2.798 -10.503 576 HB1 ALA 74 HB1 ALA 74 7.599 4.597 -12.067 577 HB2 ALA 74 HB2 ALA 74 8.647 5.395 -10.893 578 HB3 ALA 74 HB3 ALA 74 6.920 5.237 -10.571 579 H ASN 75 H ASN 75 10.499 3.972 -9.990 580 HA ASN 75 HA ASN 75 11.443 1.594 -11.453 581 HB2 ASN 75 HB2 ASN 75 12.534 4.408 -11.672 582 HB3 ASN 75 HB3 ASN 75 13.425 2.988 -12.210 583 HD21 ASN 75 HD21 ASN 75 10.644 5.001 -12.774 584 HD22 ASN 75 HD22 ASN 75 10.323 4.445 -14.374 585 H ALA 76 H ALA 76 11.418 0.769 -9.215 586 HA ALA 76 HA ALA 76 13.401 1.768 -7.362 587 HB1 ALA 76 HB1 ALA 76 11.770 -0.770 -7.227 588 HB2 ALA 76 HB2 ALA 76 11.276 0.796 -6.580 589 HB3 ALA 76 HB3 ALA 76 12.679 -0.035 -5.906 590 H GLY 77 H GLY 77 13.678 -0.059 -10.113 591 HA2 GLY 77 HA2 GLY 77 15.912 -0.765 -10.770 592 HA3 GLY 77 HA3 GLY 77 16.159 -1.340 -9.129 593 H VAL 78 H VAL 78 13.750 -2.751 -8.766 594 HA VAL 78 HA VAL 78 14.331 -5.168 -10.217 595 HB VAL 78 HB VAL 78 12.516 -6.185 -8.897 596 HG11 VAL 78 HG11 VAL 78 13.543 -5.936 -6.694 597 HG12 VAL 78 HG12 VAL 78 14.370 -4.474 -7.231 598 HG13 VAL 78 HG13 VAL 78 14.774 -6.031 -7.952 599 HG21 VAL 78 HG21 VAL 78 11.351 -4.853 -7.168 600 HG22 VAL 78 HG22 VAL 78 10.958 -4.314 -8.800 601 HG23 VAL 78 HG23 VAL 78 12.090 -3.388 -7.815 602 H THR 79 H THR 79 12.351 -6.484 -11.041 603 HA THR 79 HA THR 79 11.366 -5.232 -13.370 604 HB THR 79 HB THR 79 9.986 -7.249 -13.684 605 HG1 THR 79 HG1 THR 79 9.684 -7.370 -11.222 606 HG21 THR 79 HG21 THR 79 12.386 -7.334 -14.256 607 HG22 THR 79 HG22 THR 79 11.785 -8.903 -13.717 608 HG23 THR 79 HG23 THR 79 12.745 -7.905 -12.626 609 H ALA 80 H ALA 80 9.415 -4.336 -13.901 610 HA ALA 80 HA ALA 80 7.910 -2.973 -12.024 611 HB1 ALA 80 HB1 ALA 80 6.308 -2.543 -13.813 612 HB2 ALA 80 HB2 ALA 80 7.016 -3.841 -14.773 613 HB3 ALA 80 HB3 ALA 80 7.964 -2.401 -14.401 614 H SER 81 H SER 81 7.073 -6.103 -13.558 615 HA SER 81 HA SER 81 5.311 -6.645 -11.269 616 HB2 SER 81 HB2 SER 81 3.526 -7.529 -12.710 617 HB3 SER 81 HB3 SER 81 3.829 -5.830 -13.056 618 HG SER 81 HG SER 81 5.379 -6.986 -14.714 619 HA PRO 82 HA PRO 82 8.030 -10.330 -11.611 620 HB2 PRO 82 HB2 PRO 82 6.560 -10.756 -9.042 621 HB3 PRO 82 HB3 PRO 82 8.274 -10.992 -9.416 622 HG2 PRO 82 HG2 PRO 82 7.496 -8.845 -8.060 623 HG3 PRO 82 HG3 PRO 82 8.740 -8.703 -9.320 624 HD2 PRO 82 HD2 PRO 82 5.843 -7.937 -9.418 625 HD3 PRO 82 HD3 PRO 82 7.252 -7.108 -10.113 626 HA PRO 83 HA PRO 83 4.682 -9.325 -10.380 627 HB2 PRO 83 HB2 PRO 83 2.031 -9.787 -10.412 628 HB3 PRO 83 HB3 PRO 83 2.908 -9.276 -11.856 629 HG2 PRO 83 HG2 PRO 83 1.722 -11.890 -11.235 630 HG3 PRO 83 HG3 PRO 83 2.205 -11.222 -12.802 631 HD2 PRO 83 HD2 PRO 83 3.667 -13.046 -11.051 632 HD3 PRO 83 HD3 PRO 83 4.043 -12.565 -12.718 633 H THR 84 H THR 84 5.317 -9.486 -8.286 634 HA THR 84 HA THR 84 3.508 -10.818 -6.389 635 HB THR 84 HB THR 84 5.462 -11.472 -4.965 636 HG1 THR 84 HG1 THR 84 7.525 -11.365 -5.807 637 HG21 THR 84 HG21 THR 84 5.517 -12.707 -7.727 638 HG22 THR 84 HG22 THR 84 4.392 -13.138 -6.438 639 HG23 THR 84 HG23 THR 84 6.116 -13.447 -6.243 640 H ASP 85 H ASP 85 6.570 -8.989 -6.158 641 HA ASP 85 HA ASP 85 5.504 -6.996 -4.403 642 HB2 ASP 85 HB2 ASP 85 8.001 -6.999 -6.128 643 HB3 ASP 85 HB3 ASP 85 7.631 -5.788 -4.904 644 H LEU 86 H LEU 86 4.499 -5.084 -4.906 645 HA LEU 86 HA LEU 86 3.824 -4.705 -7.743 646 HB2 LEU 86 HB2 LEU 86 2.463 -3.641 -5.268 647 HB3 LEU 86 HB3 LEU 86 1.908 -3.398 -6.914 648 HG LEU 86 HG LEU 86 2.075 -6.060 -5.482 649 HD11 LEU 86 HD11 LEU 86 -0.313 -4.396 -6.281 650 HD12 LEU 86 HD12 LEU 86 0.277 -4.646 -4.638 651 HD13 LEU 86 HD13 LEU 86 -0.367 -6.005 -5.559 652 HD21 LEU 86 HD21 LEU 86 2.507 -6.283 -7.886 653 HD22 LEU 86 HD22 LEU 86 1.016 -5.407 -8.236 654 HD23 LEU 86 HD23 LEU 86 0.950 -6.982 -7.441 655 H ILE 87 H ILE 87 5.142 -3.313 -8.726 656 HA ILE 87 HA ILE 87 6.354 -1.072 -7.400 657 HB ILE 87 HB ILE 87 6.328 -2.057 -10.247 658 HG12 ILE 87 HG12 ILE 87 8.785 -2.228 -9.857 659 HG13 ILE 87 HG13 ILE 87 8.546 -1.645 -8.215 660 HG21 ILE 87 HG21 ILE 87 7.856 -0.226 -10.860 661 HG22 ILE 87 HG22 ILE 87 7.557 0.525 -9.293 662 HG23 ILE 87 HG23 ILE 87 6.240 0.350 -10.453 663 HD11 ILE 87 HD11 ILE 87 8.845 -4.061 -8.309 664 HD12 ILE 87 HD12 ILE 87 7.420 -4.203 -9.338 665 HD13 ILE 87 HD13 ILE 87 7.256 -3.624 -7.679 666 H TRP 88 H TRP 88 5.631 0.979 -7.263 667 HA TRP 88 HA TRP 88 3.001 1.685 -8.118 668 HB2 TRP 88 HB2 TRP 88 4.276 2.576 -6.069 669 HB3 TRP 88 HB3 TRP 88 5.124 3.633 -7.188 670 HD1 TRP 88 HD1 TRP 88 2.924 4.867 -8.922 671 HE1 TRP 88 HE1 TRP 88 1.044 6.312 -7.932 672 HE3 TRP 88 HE3 TRP 88 3.109 3.238 -4.081 673 HZ2 TRP 88 HZ2 TRP 88 -0.198 6.717 -5.434 674 HZ3 TRP 88 HZ3 TRP 88 1.541 4.210 -2.452 675 HH2 TRP 88 HH2 TRP 88 -0.077 5.915 -3.116 676 H LYS 89 H LYS 89 3.255 1.231 -10.404 677 HA LYS 89 HA LYS 89 5.132 2.575 -12.049 678 HB2 LYS 89 HB2 LYS 89 2.540 1.196 -12.780 679 HB3 LYS 89 HB3 LYS 89 3.798 1.661 -13.920 680 HG2 LYS 89 HG2 LYS 89 5.360 0.129 -12.890 681 HG3 LYS 89 HG3 LYS 89 4.188 -0.268 -11.635 682 HD2 LYS 89 HD2 LYS 89 4.144 -2.057 -13.199 683 HD3 LYS 89 HD3 LYS 89 2.673 -1.122 -13.460 684 HE2 LYS 89 HE2 LYS 89 5.188 -0.832 -15.110 685 HE3 LYS 89 HE3 LYS 89 3.826 -1.858 -15.555 686 HZ1 LYS 89 HZ1 LYS 89 3.577 0.171 -16.701 687 HZ2 LYS 89 HZ2 LYS 89 3.859 1.099 -15.316 688 HZ3 LYS 89 HZ3 LYS 89 2.432 0.202 -15.461 689 H ASN 90 H ASN 90 2.538 3.935 -10.507 690 HA ASN 90 HA ASN 90 1.851 5.766 -12.695 691 HB2 ASN 90 HB2 ASN 90 0.589 5.432 -9.962 692 HB3 ASN 90 HB3 ASN 90 0.021 6.529 -11.218 693 HD21 ASN 90 HD21 ASN 90 -1.970 5.555 -11.444 694 HD22 ASN 90 HD22 ASN 90 -2.165 3.980 -12.130 695 H GLN 91 H GLN 91 3.933 5.680 -10.004 696 HA GLN 91 HA GLN 91 4.721 8.405 -10.380 697 HB2 GLN 91 HB2 GLN 91 2.750 8.822 -8.983 698 HB3 GLN 91 HB3 GLN 91 3.357 7.715 -7.759 699 HG2 GLN 91 HG2 GLN 91 5.244 9.190 -7.323 700 HG3 GLN 91 HG3 GLN 91 4.711 10.277 -8.603 701 HE21 GLN 91 HE21 GLN 91 2.939 11.614 -8.244 702 HE22 GLN 91 HE22 GLN 91 2.289 11.882 -6.668 703 H ASN 92 H ASN 92 6.748 8.856 -9.504 704 HA ASN 92 HA ASN 92 8.346 6.546 -8.923 705 HB2 ASN 92 HB2 ASN 92 9.016 9.490 -9.073 706 HB3 ASN 92 HB3 ASN 92 10.218 8.230 -8.803 707 HD21 ASN 92 HD21 ASN 92 10.653 6.760 -10.473 708 HD22 ASN 92 HD22 ASN 92 10.238 7.112 -12.114 709 H SER 93 H SER 93 10.291 7.513 -7.253 710 HA SER 93 HA SER 93 9.380 6.832 -4.690 711 HB2 SER 93 HB2 SER 93 11.682 6.484 -5.312 712 HB3 SER 93 HB3 SER 93 11.919 8.204 -5.603 713 HG SER 93 HG SER 93 12.327 6.897 -3.368 714 H TRP 94 H TRP 94 10.153 8.344 -2.768 715 HA TRP 94 HA TRP 94 9.176 11.087 -3.098 716 HB2 TRP 94 HB2 TRP 94 7.621 10.888 -1.218 717 HB3 TRP 94 HB3 TRP 94 7.196 9.735 -2.477 718 HD1 TRP 94 HD1 TRP 94 8.214 9.930 1.160 719 HE1 TRP 94 HE1 TRP 94 8.178 7.571 2.188 720 HE3 TRP 94 HE3 TRP 94 7.647 7.169 -3.116 721 HZ2 TRP 94 HZ2 TRP 94 7.941 4.913 1.322 722 HZ3 TRP 94 HZ3 TRP 94 7.528 4.716 -2.921 723 HH2 TRP 94 HH2 TRP 94 7.673 3.614 -0.746 724 H GLY 95 H GLY 95 9.561 12.383 -1.024 725 HA2 GLY 95 HA2 GLY 95 10.987 11.553 1.173 726 HA3 GLY 95 HA3 GLY 95 12.215 11.852 -0.043 727 H THR 96 H THR 96 9.336 13.466 1.338 728 HA THR 96 HA THR 96 10.429 16.098 0.890 729 HB THR 96 HB THR 96 8.462 16.886 2.221 730 HG1 THR 96 HG1 THR 96 6.916 15.277 2.830 731 HG21 THR 96 HG21 THR 96 8.251 16.623 -0.198 732 HG22 THR 96 HG22 THR 96 6.744 16.178 0.601 733 HG23 THR 96 HG23 THR 96 7.831 14.923 0.008 734 H GLY 97 H GLY 97 9.385 14.505 3.912 735 HA2 GLY 97 HA2 GLY 97 11.448 14.414 5.535 736 HA3 GLY 97 HA3 GLY 97 11.288 16.159 5.415 737 H GLU 98 H GLU 98 8.364 16.084 5.283 738 HA GLU 98 HA GLU 98 7.793 16.241 8.051 739 HB2 GLU 98 HB2 GLU 98 5.980 16.238 5.632 740 HB3 GLU 98 HB3 GLU 98 5.398 16.509 7.269 741 HG2 GLU 98 HG2 GLU 98 7.513 18.203 5.953 742 HG3 GLU 98 HG3 GLU 98 5.792 18.576 5.905 743 H ASP 99 H ASP 99 6.291 14.014 5.669 744 HA ASP 99 HA ASP 99 6.656 11.665 7.181 745 HB2 ASP 99 HB2 ASP 99 4.957 12.996 8.621 746 HB3 ASP 99 HB3 ASP 99 3.793 12.628 7.354 747 H VAL 100 H VAL 100 5.564 9.799 6.208 748 HA VAL 100 HA VAL 100 4.465 10.360 3.529 749 HB VAL 100 HB VAL 100 6.494 9.124 3.262 750 HG11 VAL 100 HG11 VAL 100 5.417 7.096 5.226 751 HG12 VAL 100 HG12 VAL 100 6.727 8.237 5.525 752 HG13 VAL 100 HG13 VAL 100 6.926 6.960 4.327 753 HG21 VAL 100 HG21 VAL 100 5.725 7.100 2.134 754 HG22 VAL 100 HG22 VAL 100 4.633 8.445 1.809 755 HG23 VAL 100 HG23 VAL 100 4.177 7.201 2.973 756 H LYS 101 H LYS 101 2.348 10.601 4.136 757 HA LYS 101 HA LYS 101 1.055 8.569 5.779 758 HB2 LYS 101 HB2 LYS 101 0.652 10.924 6.288 759 HB3 LYS 101 HB3 LYS 101 0.027 11.189 4.668 760 HG2 LYS 101 HG2 LYS 101 -1.879 9.778 5.116 761 HG3 LYS 101 HG3 LYS 101 -1.223 9.334 6.693 762 HD2 LYS 101 HD2 LYS 101 -1.398 11.672 7.422 763 HD3 LYS 101 HD3 LYS 101 -2.048 12.117 5.842 764 HE2 LYS 101 HE2 LYS 101 -3.998 10.734 6.214 765 HE3 LYS 101 HE3 LYS 101 -3.327 10.140 7.732 766 HZ1 LYS 101 HZ1 LYS 101 -4.990 11.875 8.065 767 HZ2 LYS 101 HZ2 LYS 101 -4.054 12.968 7.180 768 HZ3 LYS 101 HZ3 LYS 101 -3.479 12.355 8.645 769 H VAL 102 H VAL 102 -0.166 6.972 4.998 770 HA VAL 102 HA VAL 102 -1.057 7.116 2.179 771 HB VAL 102 HB VAL 102 -0.229 4.638 3.719 772 HG11 VAL 102 HG11 VAL 102 -2.008 4.131 2.141 773 HG12 VAL 102 HG12 VAL 102 -0.479 3.471 1.560 774 HG13 VAL 102 HG13 VAL 102 -1.129 4.950 0.849 775 HG21 VAL 102 HG21 VAL 102 1.681 6.051 3.098 776 HG22 VAL 102 HG22 VAL 102 1.140 6.049 1.418 777 HG23 VAL 102 HG23 VAL 102 1.670 4.547 2.177 778 H ILE 103 H ILE 103 -3.135 6.653 1.710 779 HA ILE 103 HA ILE 103 -4.926 5.757 3.891 780 HB ILE 103 HB ILE 103 -5.605 7.699 1.663 781 HG12 ILE 103 HG12 ILE 103 -4.109 8.736 3.321 782 HG13 ILE 103 HG13 ILE 103 -5.726 9.424 3.416 783 HG21 ILE 103 HG21 ILE 103 -7.520 6.368 2.323 784 HG22 ILE 103 HG22 ILE 103 -7.716 8.029 2.880 785 HG23 ILE 103 HG23 ILE 103 -7.246 6.766 4.021 786 HD11 ILE 103 HD11 ILE 103 -6.188 8.004 5.371 787 HD12 ILE 103 HD12 ILE 103 -4.824 9.093 5.622 788 HD13 ILE 103 HD13 ILE 103 -4.537 7.387 5.287 789 H LEU 104 H LEU 104 -6.409 4.163 3.394 790 HA LEU 104 HA LEU 104 -6.316 3.077 0.647 791 HB2 LEU 104 HB2 LEU 104 -6.878 1.683 3.267 792 HB3 LEU 104 HB3 LEU 104 -7.092 0.931 1.697 793 HG LEU 104 HG LEU 104 -4.474 1.909 2.849 794 HD11 LEU 104 HD11 LEU 104 -3.886 -0.465 2.904 795 HD12 LEU 104 HD12 LEU 104 -5.503 -0.882 2.334 796 HD13 LEU 104 HD13 LEU 104 -5.290 -0.126 3.913 797 HD21 LEU 104 HD21 LEU 104 -3.443 0.901 0.872 798 HD22 LEU 104 HD22 LEU 104 -4.549 2.200 0.419 799 HD23 LEU 104 HD23 LEU 104 -5.040 0.517 0.227 800 H LYS 105 H LYS 105 -8.044 3.641 -0.513 801 HA LYS 105 HA LYS 105 -10.715 3.513 0.746 802 HB2 LYS 105 HB2 LYS 105 -9.803 4.894 -1.791 803 HB3 LYS 105 HB3 LYS 105 -11.491 4.732 -1.323 804 HG2 LYS 105 HG2 LYS 105 -10.976 5.987 0.764 805 HG3 LYS 105 HG3 LYS 105 -9.337 6.244 0.158 806 HD2 LYS 105 HD2 LYS 105 -10.230 7.435 -1.787 807 HD3 LYS 105 HD3 LYS 105 -11.878 7.138 -1.229 808 HE2 LYS 105 HE2 LYS 105 -9.781 8.786 0.198 809 HE3 LYS 105 HE3 LYS 105 -11.163 9.415 -0.700 810 HZ1 LYS 105 HZ1 LYS 105 -11.204 7.862 1.825 811 HZ2 LYS 105 HZ2 LYS 105 -12.597 8.161 0.907 812 HZ3 LYS 105 HZ3 LYS 105 -11.729 9.446 1.580 813 H ASN 106 H ASN 106 -12.433 2.455 -0.448 814 HA ASN 106 HA ASN 106 -11.444 0.171 -2.006 815 HB2 ASN 106 HB2 ASN 106 -14.125 0.623 -0.682 816 HB3 ASN 106 HB3 ASN 106 -13.645 -0.844 -1.527 817 HD21 ASN 106 HD21 ASN 106 -10.881 -0.674 -0.471 818 HD22 ASN 106 HD22 ASN 106 -11.002 -1.178 1.171 819 H SER 107 H SER 107 -13.320 -0.653 -3.560 820 HA SER 107 HA SER 107 -13.199 0.787 -5.872 821 HB2 SER 107 HB2 SER 107 -13.913 -1.509 -5.899 822 HB3 SER 107 HB3 SER 107 -15.367 -1.125 -4.979 823 HG SER 107 HG SER 107 -14.783 -0.685 -7.679 824 H GLN 108 H GLN 108 -15.738 1.103 -3.409 825 HA GLN 108 HA GLN 108 -17.290 2.872 -5.133 826 HB2 GLN 108 HB2 GLN 108 -17.905 1.966 -2.313 827 HB3 GLN 108 HB3 GLN 108 -19.022 2.700 -3.457 828 HG2 GLN 108 HG2 GLN 108 -18.713 0.725 -4.936 829 HG3 GLN 108 HG3 GLN 108 -17.738 -0.019 -3.670 830 HE21 GLN 108 HE21 GLN 108 -18.780 -0.633 -1.703 831 HE22 GLN 108 HE22 GLN 108 -20.495 -0.865 -1.652 832 H GLY 109 H GLY 109 -14.638 3.599 -3.623 833 HA2 GLY 109 HA2 GLY 109 -13.816 5.694 -3.004 834 HA3 GLY 109 HA3 GLY 109 -15.463 6.301 -2.929 835 H GLU 110 H GLU 110 -16.136 3.917 -1.189 836 HA GLU 110 HA GLU 110 -16.051 5.033 1.326 837 HB2 GLU 110 HB2 GLU 110 -16.418 2.614 2.108 838 HB3 GLU 110 HB3 GLU 110 -17.580 3.288 0.975 839 HG2 GLU 110 HG2 GLU 110 -16.161 2.170 -0.853 840 HG3 GLU 110 HG3 GLU 110 -15.423 1.262 0.464 841 H GLU 111 H GLU 111 -14.568 5.283 2.845 842 HA GLU 111 HA GLU 111 -11.857 4.292 2.347 843 HB2 GLU 111 HB2 GLU 111 -12.269 6.712 2.612 844 HB3 GLU 111 HB3 GLU 111 -12.885 6.425 4.232 845 HG2 GLU 111 HG2 GLU 111 -10.710 5.713 4.986 846 HG3 GLU 111 HG3 GLU 111 -10.070 5.819 3.343 847 H VAL 112 H VAL 112 -10.739 2.980 3.763 848 HA VAL 112 HA VAL 112 -12.179 2.115 6.199 849 HB VAL 112 HB VAL 112 -11.210 -0.195 5.812 850 HG11 VAL 112 HG11 VAL 112 -13.569 0.322 5.426 851 HG12 VAL 112 HG12 VAL 112 -12.979 -0.845 4.243 852 HG13 VAL 112 HG13 VAL 112 -13.198 0.844 3.783 853 HG21 VAL 112 HG21 VAL 112 -9.493 0.371 4.167 854 HG22 VAL 112 HG22 VAL 112 -10.733 0.909 3.032 855 HG23 VAL 112 HG23 VAL 112 -10.631 -0.792 3.489 856 H ALA 113 H ALA 113 -8.892 1.835 4.728 857 HA ALA 113 HA ALA 113 -7.804 1.827 7.471 858 HB1 ALA 113 HB1 ALA 113 -6.514 0.838 4.927 859 HB2 ALA 113 HB2 ALA 113 -7.309 -0.167 6.139 860 HB3 ALA 113 HB3 ALA 113 -5.840 0.718 6.553 861 H GLN 114 H GLN 114 -5.854 2.963 7.943 862 HA GLN 114 HA GLN 114 -4.896 5.008 6.111 863 HB2 GLN 114 HB2 GLN 114 -5.385 6.871 7.674 864 HB3 GLN 114 HB3 GLN 114 -6.848 6.109 7.063 865 HG2 GLN 114 HG2 GLN 114 -7.111 4.879 9.144 866 HG3 GLN 114 HG3 GLN 114 -5.612 5.571 9.762 867 HE21 GLN 114 HE21 GLN 114 -5.585 7.743 10.384 868 HE22 GLN 114 HE22 GLN 114 -7.040 8.626 10.678 869 H ARG 115 H ARG 115 -2.903 6.016 6.839 870 HA ARG 115 HA ARG 115 -1.852 5.486 9.449 871 HB2 ARG 115 HB2 ARG 115 -1.429 3.285 8.511 872 HB3 ARG 115 HB3 ARG 115 -0.615 3.999 7.123 873 HG2 ARG 115 HG2 ARG 115 1.137 4.872 8.599 874 HG3 ARG 115 HG3 ARG 115 0.322 4.157 9.989 875 HD2 ARG 115 HD2 ARG 115 1.373 2.601 7.623 876 HD3 ARG 115 HD3 ARG 115 2.238 2.820 9.144 877 HE ARG 115 HE ARG 115 -0.378 1.471 9.003 878 HH11 ARG 115 HH11 ARG 115 2.868 1.647 10.142 879 HH12 ARG 115 HH12 ARG 115 2.748 0.173 11.037 880 HH21 ARG 115 HH21 ARG 115 -0.518 -0.420 10.152 881 HH22 ARG 115 HH22 ARG 115 0.849 -0.981 11.046 882 H SER 116 H SER 116 -0.801 7.309 9.943 883 HA SER 116 HA SER 116 1.129 8.424 8.003 884 HB2 SER 116 HB2 SER 116 1.313 10.346 9.556 885 HB3 SER 116 HB3 SER 116 -0.359 10.093 9.056 886 HG SER 116 HG SER 116 0.763 9.120 11.489 887 H THR 117 H THR 117 3.319 8.155 8.368 888 HA THR 117 HA THR 117 3.988 5.964 10.067 889 HB THR 117 HB THR 117 6.322 6.288 9.280 890 HG1 THR 117 HG1 THR 117 5.192 8.669 8.255 891 HG21 THR 117 HG21 THR 117 4.208 6.368 7.116 892 HG22 THR 117 HG22 THR 117 4.762 4.931 7.975 893 HG23 THR 117 HG23 THR 117 5.866 5.802 6.911 894 H VAL 118 H VAL 118 6.225 8.678 10.065 895 HA VAL 118 HA VAL 118 5.772 9.787 12.554 896 HB VAL 118 HB VAL 118 6.104 7.526 13.483 897 HG11 VAL 118 HG11 VAL 118 8.293 6.440 13.442 898 HG12 VAL 118 HG12 VAL 118 8.913 7.710 12.388 899 HG13 VAL 118 HG13 VAL 118 7.644 6.630 11.812 900 HG21 VAL 118 HG21 VAL 118 6.642 9.441 14.865 901 HG22 VAL 118 HG22 VAL 118 8.275 9.501 14.204 902 HG23 VAL 118 HG23 VAL 118 7.777 8.133 15.199 903 H PHE 119 H PHE 119 7.005 11.549 12.690 904 HA PHE 119 HA PHE 119 9.213 11.929 10.833 905 HB2 PHE 119 HB2 PHE 119 9.109 14.311 11.776 906 HB3 PHE 119 HB3 PHE 119 7.704 13.743 10.881 907 HD1 PHE 119 HD1 PHE 119 9.010 14.497 14.250 908 HD2 PHE 119 HD2 PHE 119 5.580 13.494 11.931 909 HE1 PHE 119 HE1 PHE 119 7.560 15.049 16.158 910 HE2 PHE 119 HE2 PHE 119 4.127 14.046 13.838 911 HZ PHE 119 HZ PHE 119 5.116 14.826 15.957 912 H LYS 120 H LYS 120 9.620 10.117 13.101 913 HA LYS 120 HA LYS 120 11.221 11.430 15.087 914 HB2 LYS 120 HB2 LYS 120 9.934 9.384 15.554 915 HB3 LYS 120 HB3 LYS 120 10.941 8.487 14.430 916 HG2 LYS 120 HG2 LYS 120 12.884 8.833 15.862 917 HG3 LYS 120 HG3 LYS 120 11.911 9.802 16.971 918 HD2 LYS 120 HD2 LYS 120 12.206 7.507 17.794 919 HD3 LYS 120 HD3 LYS 120 10.509 7.863 17.465 920 HE2 LYS 120 HE2 LYS 120 10.707 6.708 15.300 921 HE3 LYS 120 HE3 LYS 120 12.389 6.326 15.668 922 HZ1 LYS 120 HZ1 LYS 120 11.690 4.980 17.496 923 HZ2 LYS 120 HZ2 LYS 120 10.829 4.495 16.122 924 HZ3 LYS 120 HZ3 LYS 120 10.074 5.441 17.301 925 H THR 121 H THR 121 11.871 10.658 11.920 926 HA THR 121 HA THR 121 14.510 9.679 11.955 927 HB THR 121 HB THR 121 13.180 9.616 9.928 928 HG1 THR 121 HG1 THR 121 15.403 11.368 9.528 929 HG21 THR 121 HG21 THR 121 12.646 11.617 8.649 930 HG22 THR 121 HG22 THR 121 13.415 12.629 9.869 931 HG23 THR 121 HG23 THR 121 11.950 11.731 10.265 932 H THR 122 H THR 122 13.526 12.572 13.230 933 HA THR 122 HA THR 122 15.816 14.181 12.437 934 HB THR 122 HB THR 122 14.895 15.859 14.048 935 HG1 THR 122 HG1 THR 122 13.834 14.201 15.394 936 HG21 THR 122 HG21 THR 122 12.915 14.760 12.039 937 HG22 THR 122 HG22 THR 122 14.210 15.911 11.698 938 HG23 THR 122 HG23 THR 122 12.869 16.376 12.745
Contact the webmaster for help, if required. Sunday, May 19, 2024 3:32:34 PM GMT (wattos1)