NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26107 | 2key | 16161 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 19.233 -14.207 8.897 2 H2 MET 1 H2 MET 1 18.929 -13.095 10.140 3 H3 MET 1 H3 MET 1 20.513 -13.343 9.594 4 HA MET 1 HA MET 1 19.963 -12.457 7.442 5 HB2 MET 1 HB2 MET 1 17.798 -11.362 7.081 6 HB3 MET 1 HB3 MET 1 17.600 -13.080 7.389 7 HG2 MET 1 HG2 MET 1 16.954 -12.584 9.697 8 HG3 MET 1 HG3 MET 1 17.148 -10.861 9.373 9 HE1 MET 1 HE1 MET 1 13.939 -13.534 7.404 10 HE2 MET 1 HE2 MET 1 15.068 -14.098 8.636 11 HE3 MET 1 HE3 MET 1 15.657 -13.666 7.031 12 H ASN 2 H ASN 2 20.847 -10.511 7.198 13 HA ASN 2 HA ASN 2 20.335 -8.447 9.191 14 HB2 ASN 2 HB2 ASN 2 22.861 -7.887 9.102 15 HB3 ASN 2 HB3 ASN 2 22.321 -9.192 10.142 16 HD21 ASN 2 HD21 ASN 2 22.849 -9.239 6.623 17 HD22 ASN 2 HD22 ASN 2 24.103 -10.437 6.669 18 H ASN 3 H ASN 3 19.167 -7.298 7.756 19 HA ASN 3 HA ASN 3 20.665 -6.035 5.580 20 HB2 ASN 3 HB2 ASN 3 17.918 -7.273 5.311 21 HB3 ASN 3 HB3 ASN 3 18.591 -6.143 4.143 22 HD21 ASN 3 HD21 ASN 3 20.455 -6.771 2.961 23 HD22 ASN 3 HD22 ASN 3 20.815 -8.450 2.712 24 HA PRO 4 HA PRO 4 18.670 -2.818 8.182 25 HB2 PRO 4 HB2 PRO 4 20.929 -1.240 7.130 26 HB3 PRO 4 HB3 PRO 4 20.425 -1.503 8.802 27 HG2 PRO 4 HG2 PRO 4 22.642 -2.644 7.813 28 HG3 PRO 4 HG3 PRO 4 21.612 -3.479 8.991 29 HD2 PRO 4 HD2 PRO 4 21.770 -3.841 6.020 30 HD3 PRO 4 HD3 PRO 4 21.635 -5.067 7.298 31 H SER 5 H SER 5 16.987 -2.865 6.592 32 HA SER 5 HA SER 5 15.617 -1.918 5.078 33 HB2 SER 5 HB2 SER 5 17.437 0.482 5.351 34 HB3 SER 5 HB3 SER 5 15.781 0.489 4.742 35 HG SER 5 HG SER 5 16.293 -0.592 7.292 36 H ASP 6 H ASP 6 16.504 -3.528 3.599 37 HA ASP 6 HA ASP 6 18.302 -2.582 1.525 38 HB2 ASP 6 HB2 ASP 6 18.156 -4.983 2.509 39 HB3 ASP 6 HB3 ASP 6 16.775 -5.171 1.438 40 H PHE 7 H PHE 7 15.343 -1.873 2.181 41 HA PHE 7 HA PHE 7 14.271 -2.116 -0.536 42 HB2 PHE 7 HB2 PHE 7 12.134 -1.302 0.904 43 HB3 PHE 7 HB3 PHE 7 12.540 -2.986 0.616 44 HD1 PHE 7 HD1 PHE 7 13.647 -4.304 2.373 45 HD2 PHE 7 HD2 PHE 7 12.292 -0.334 3.077 46 HE1 PHE 7 HE1 PHE 7 13.785 -4.694 4.792 47 HE2 PHE 7 HE2 PHE 7 12.426 -0.716 5.505 48 HZ PHE 7 HZ PHE 7 13.172 -2.905 6.362 49 H LYS 8 H LYS 8 14.585 -0.417 -1.707 50 HA LYS 8 HA LYS 8 14.715 2.235 -0.515 51 HB2 LYS 8 HB2 LYS 8 15.171 1.236 -3.326 52 HB3 LYS 8 HB3 LYS 8 15.382 2.897 -2.810 53 HG2 LYS 8 HG2 LYS 8 17.163 2.238 -1.306 54 HG3 LYS 8 HG3 LYS 8 16.914 0.543 -1.735 55 HD2 LYS 8 HD2 LYS 8 17.518 1.024 -4.042 56 HD3 LYS 8 HD3 LYS 8 17.729 2.730 -3.646 57 HE2 LYS 8 HE2 LYS 8 19.515 2.113 -2.070 58 HE3 LYS 8 HE3 LYS 8 19.323 0.425 -2.537 59 HZ1 LYS 8 HZ1 LYS 8 20.110 2.638 -4.356 60 HZ2 LYS 8 HZ2 LYS 8 19.926 1.010 -4.797 61 HZ3 LYS 8 HZ3 LYS 8 21.156 1.461 -3.722 62 H SER 9 H SER 9 12.464 0.209 -2.052 63 HA SER 9 HA SER 9 10.898 2.519 -2.997 64 HB2 SER 9 HB2 SER 9 11.633 0.925 -4.765 65 HB3 SER 9 HB3 SER 9 10.713 -0.343 -3.958 66 HG SER 9 HG SER 9 9.832 1.860 -5.433 67 H PHE 10 H PHE 10 8.654 2.532 -2.687 68 HA PHE 10 HA PHE 10 7.735 1.794 -0.193 69 HB2 PHE 10 HB2 PHE 10 5.498 2.359 -0.989 70 HB3 PHE 10 HB3 PHE 10 6.670 3.531 -1.563 71 HD1 PHE 10 HD1 PHE 10 7.482 3.324 -3.974 72 HD2 PHE 10 HD2 PHE 10 4.096 1.234 -2.466 73 HE1 PHE 10 HE1 PHE 10 6.672 2.985 -6.274 74 HE2 PHE 10 HE2 PHE 10 3.281 0.888 -4.763 75 HZ PHE 10 HZ PHE 10 4.572 1.763 -6.669 76 H HIS 11 H HIS 11 7.416 0.021 -3.252 77 HA HIS 11 HA HIS 11 5.609 -1.893 -2.140 78 HB2 HIS 11 HB2 HIS 11 6.041 -3.195 -4.255 79 HB3 HIS 11 HB3 HIS 11 5.427 -1.567 -4.485 80 HD1 HIS 11 HD1 HIS 11 6.545 -0.370 -6.314 81 HD2 HIS 11 HD2 HIS 11 9.067 -3.163 -4.555 82 HE1 HIS 11 HE1 HIS 11 8.683 -0.267 -7.626 83 HE2 HIS 11 HE2 HIS 11 10.271 -1.777 -6.379 84 H ASP 12 H ASP 12 9.045 -1.612 -2.310 85 HA ASP 12 HA ASP 12 9.526 -4.338 -1.519 86 HB2 ASP 12 HB2 ASP 12 11.247 -1.907 -1.850 87 HB3 ASP 12 HB3 ASP 12 11.858 -3.297 -0.962 88 H PHE 13 H PHE 13 9.269 -1.195 0.015 89 HA PHE 13 HA PHE 13 10.068 -1.905 2.612 90 HB2 PHE 13 HB2 PHE 13 9.680 0.438 1.696 91 HB3 PHE 13 HB3 PHE 13 7.958 0.150 1.912 92 HD1 PHE 13 HD1 PHE 13 7.148 -0.405 4.284 93 HD2 PHE 13 HD2 PHE 13 10.972 1.251 3.435 94 HE1 PHE 13 HE1 PHE 13 7.322 0.372 6.612 95 HE2 PHE 13 HE2 PHE 13 11.156 2.028 5.761 96 HZ PHE 13 HZ PHE 13 9.332 1.589 7.355 97 H VAL 14 H VAL 14 6.849 -1.765 1.117 98 HA VAL 14 HA VAL 14 5.379 -2.682 3.312 99 HB VAL 14 HB VAL 14 4.770 -3.070 0.372 100 HG11 VAL 14 HG11 VAL 14 2.966 -3.270 2.784 101 HG12 VAL 14 HG12 VAL 14 3.484 -4.605 1.756 102 HG13 VAL 14 HG13 VAL 14 2.440 -3.342 1.103 103 HG21 VAL 14 HG21 VAL 14 5.004 -0.729 0.926 104 HG22 VAL 14 HG22 VAL 14 3.936 -0.920 2.317 105 HG23 VAL 14 HG23 VAL 14 3.299 -1.107 0.683 106 H ALA 15 H ALA 15 6.845 -4.482 0.620 107 HA ALA 15 HA ALA 15 5.898 -7.019 1.266 108 HB1 ALA 15 HB1 ALA 15 8.514 -6.289 -0.040 109 HB2 ALA 15 HB2 ALA 15 6.965 -6.501 -0.856 110 HB3 ALA 15 HB3 ALA 15 7.748 -7.877 -0.079 111 H SER 16 H SER 16 8.618 -5.232 2.590 112 HA SER 16 HA SER 16 9.599 -7.536 4.035 113 HB2 SER 16 HB2 SER 16 11.174 -5.830 3.199 114 HB3 SER 16 HB3 SER 16 10.408 -4.627 4.233 115 HG SER 16 HG SER 16 11.192 -6.893 5.565 116 H TYR 17 H TYR 17 8.070 -4.434 4.896 117 HA TYR 17 HA TYR 17 8.057 -4.970 7.672 118 HB2 TYR 17 HB2 TYR 17 7.838 -2.689 6.591 119 HB3 TYR 17 HB3 TYR 17 6.159 -3.101 6.245 120 HD1 TYR 17 HD2 TYR 17 8.599 -2.701 9.011 121 HD2 TYR 17 HD1 TYR 17 4.496 -2.814 7.895 122 HE1 TYR 17 HE2 TYR 17 7.971 -1.978 11.274 123 HE2 TYR 17 HE1 TYR 17 3.856 -2.091 10.159 124 HH TYR 17 HH TYR 17 4.754 -2.111 12.413 125 H MET 18 H MET 18 5.923 -5.812 5.084 126 HA MET 18 HA MET 18 3.534 -6.318 6.351 127 HB2 MET 18 HB2 MET 18 3.880 -6.473 3.917 128 HB3 MET 18 HB3 MET 18 4.787 -7.961 4.146 129 HG2 MET 18 HG2 MET 18 2.515 -8.411 3.416 130 HG3 MET 18 HG3 MET 18 2.811 -9.058 5.028 131 HE1 MET 18 HE1 MET 18 1.084 -6.232 2.931 132 HE2 MET 18 HE2 MET 18 2.115 -5.297 4.014 133 HE3 MET 18 HE3 MET 18 0.361 -5.231 4.191 134 H LYS 19 H LYS 19 6.501 -8.179 6.531 135 HA LYS 19 HA LYS 19 5.591 -10.632 7.417 136 HB2 LYS 19 HB2 LYS 19 7.697 -10.912 8.557 137 HB3 LYS 19 HB3 LYS 19 7.972 -10.071 7.038 138 HG2 LYS 19 HG2 LYS 19 8.133 -7.952 8.228 139 HG3 LYS 19 HG3 LYS 19 7.818 -8.778 9.755 140 HD2 LYS 19 HD2 LYS 19 10.169 -9.303 7.938 141 HD3 LYS 19 HD3 LYS 19 10.209 -8.323 9.403 142 HE2 LYS 19 HE2 LYS 19 9.546 -10.283 10.721 143 HE3 LYS 19 HE3 LYS 19 9.525 -11.258 9.252 144 HZ1 LYS 19 HZ1 LYS 19 11.897 -10.759 8.973 145 HZ2 LYS 19 HZ2 LYS 19 11.581 -11.592 10.417 146 HZ3 LYS 19 HZ3 LYS 19 11.895 -9.926 10.450 147 H THR 20 H THR 20 5.612 -7.593 9.130 148 HA THR 20 HA THR 20 5.200 -8.645 11.745 149 HB THR 20 HB THR 20 4.353 -5.900 10.828 150 HG1 THR 20 HG1 THR 20 6.417 -5.961 10.098 151 HG21 THR 20 HG21 THR 20 5.038 -5.263 13.102 152 HG22 THR 20 HG22 THR 20 5.469 -6.941 13.437 153 HG23 THR 20 HG23 THR 20 3.788 -6.508 13.125 154 H TYR 21 H TYR 21 3.162 -8.022 9.032 155 HA TYR 21 HA TYR 21 0.742 -8.199 10.657 156 HB2 TYR 21 HB2 TYR 21 1.201 -7.347 7.797 157 HB3 TYR 21 HB3 TYR 21 -0.384 -7.477 8.544 158 HD1 TYR 21 HD1 TYR 21 -0.951 -5.983 10.481 159 HD2 TYR 21 HD2 TYR 21 2.574 -5.455 8.159 160 HE1 TYR 21 HE1 TYR 21 -0.717 -3.702 11.363 161 HE2 TYR 21 HE2 TYR 21 2.814 -3.172 9.038 162 HH TYR 21 HH TYR 21 1.302 -1.406 10.023 163 H SER 22 H SER 22 2.521 -9.828 8.093 164 HA SER 22 HA SER 22 0.482 -11.650 7.368 165 HB2 SER 22 HB2 SER 22 2.378 -12.975 6.385 166 HB3 SER 22 HB3 SER 22 2.325 -11.291 5.869 167 HG SER 22 HG SER 22 4.222 -12.625 7.342 168 H ARG 23 H ARG 23 2.727 -11.557 9.997 169 HA ARG 23 HA ARG 23 2.558 -14.278 10.776 170 HB2 ARG 23 HB2 ARG 23 3.939 -12.025 11.631 171 HB3 ARG 23 HB3 ARG 23 2.863 -12.381 12.974 172 HG2 ARG 23 HG2 ARG 23 4.747 -14.365 11.721 173 HG3 ARG 23 HG3 ARG 23 5.085 -13.431 13.179 174 HD2 ARG 23 HD2 ARG 23 3.268 -14.482 14.342 175 HD3 ARG 23 HD3 ARG 23 2.734 -15.291 12.869 176 HE ARG 23 HE ARG 23 5.061 -16.386 13.012 177 HH11 ARG 23 HH11 ARG 23 3.074 -15.507 15.763 178 HH12 ARG 23 HH12 ARG 23 3.686 -16.787 16.776 179 HH21 ARG 23 HH21 ARG 23 5.869 -18.063 14.341 180 HH22 ARG 23 HH22 ARG 23 5.266 -18.235 15.964 181 H ARG 24 H ARG 24 0.384 -11.678 10.875 182 HA ARG 24 HA ARG 24 -1.455 -13.226 12.565 183 HB2 ARG 24 HB2 ARG 24 -2.398 -10.847 13.130 184 HB3 ARG 24 HB3 ARG 24 -1.018 -11.484 14.013 185 HG2 ARG 24 HG2 ARG 24 0.482 -10.201 12.538 186 HG3 ARG 24 HG3 ARG 24 -0.931 -9.528 11.725 187 HD2 ARG 24 HD2 ARG 24 -1.631 -8.396 13.691 188 HD3 ARG 24 HD3 ARG 24 -0.463 -9.266 14.686 189 HE ARG 24 HE ARG 24 1.233 -8.035 13.161 190 HH11 ARG 24 HH11 ARG 24 -1.839 -6.732 14.230 191 HH12 ARG 24 HH12 ARG 24 -1.254 -5.092 14.307 192 HH21 ARG 24 HH21 ARG 24 1.995 -5.869 13.277 193 HH22 ARG 24 HH22 ARG 24 0.913 -4.610 13.777 194 H LEU 25 H LEU 25 -0.992 -12.951 9.634 195 HA LEU 25 HA LEU 25 -3.741 -12.212 8.868 196 HB2 LEU 25 HB2 LEU 25 -1.606 -10.854 7.947 197 HB3 LEU 25 HB3 LEU 25 -1.539 -12.206 6.855 198 HG LEU 25 HG LEU 25 -3.682 -11.684 5.941 199 HD11 LEU 25 HD11 LEU 25 -5.025 -9.808 6.735 200 HD12 LEU 25 HD12 LEU 25 -3.862 -9.512 8.027 201 HD13 LEU 25 HD13 LEU 25 -4.800 -11.005 8.011 202 HD21 LEU 25 HD21 LEU 25 -1.751 -10.421 5.103 203 HD22 LEU 25 HD22 LEU 25 -2.063 -9.161 6.297 204 HD23 LEU 25 HD23 LEU 25 -3.235 -9.471 5.016 205 H GLU 26 H GLU 26 -4.355 -13.459 6.805 206 HA GLU 26 HA GLU 26 -3.280 -16.137 6.925 207 HB2 GLU 26 HB2 GLU 26 -5.072 -16.580 5.194 208 HB3 GLU 26 HB3 GLU 26 -5.593 -16.222 6.823 209 HG2 GLU 26 HG2 GLU 26 -6.961 -14.822 5.864 210 HG3 GLU 26 HG3 GLU 26 -5.573 -13.763 5.698 211 H ILE 27 H ILE 27 -2.974 -17.191 4.697 212 HA ILE 27 HA ILE 27 -0.807 -15.684 3.549 213 HB ILE 27 HB ILE 27 -1.866 -18.408 2.768 214 HG12 ILE 27 HG12 ILE 27 -1.089 -18.362 5.090 215 HG13 ILE 27 HG13 ILE 27 0.028 -19.282 4.089 216 HG21 ILE 27 HG21 ILE 27 -0.571 -17.399 0.975 217 HG22 ILE 27 HG22 ILE 27 0.328 -18.727 1.710 218 HG23 ILE 27 HG23 ILE 27 0.748 -17.059 2.097 219 HD11 ILE 27 HD11 ILE 27 0.420 -16.438 4.990 220 HD12 ILE 27 HD12 ILE 27 1.555 -17.391 4.032 221 HD13 ILE 27 HD13 ILE 27 1.189 -17.860 5.693 222 H GLY 28 H GLY 28 -4.094 -16.354 2.738 223 HA2 GLY 28 HA2 GLY 28 -4.137 -16.313 -0.014 224 HA3 GLY 28 HA3 GLY 28 -5.430 -15.700 1.001 225 H THR 29 H THR 29 -4.687 -13.430 2.042 226 HA THR 29 HA THR 29 -4.528 -11.713 -0.244 227 HB THR 29 HB THR 29 -5.907 -11.057 1.646 228 HG1 THR 29 HG1 THR 29 -5.270 -8.910 1.699 229 HG21 THR 29 HG21 THR 29 -4.639 -11.988 3.481 230 HG22 THR 29 HG22 THR 29 -4.884 -10.261 3.744 231 HG23 THR 29 HG23 THR 29 -3.321 -10.854 3.183 232 H PHE 30 H PHE 30 -2.253 -12.474 2.419 233 HA PHE 30 HA PHE 30 -0.181 -10.796 1.802 234 HB2 PHE 30 HB2 PHE 30 -0.069 -12.280 3.699 235 HB3 PHE 30 HB3 PHE 30 -0.052 -13.694 2.652 236 HD1 PHE 30 HD2 PHE 30 1.898 -10.612 3.400 237 HD2 PHE 30 HD1 PHE 30 1.963 -14.648 2.057 238 HE1 PHE 30 HE2 PHE 30 4.357 -10.558 3.372 239 HE2 PHE 30 HE1 PHE 30 4.423 -14.602 2.026 240 HZ PHE 30 HZ PHE 30 5.622 -12.554 2.684 241 H ARG 31 H ARG 31 -0.688 -14.025 0.306 242 HA ARG 31 HA ARG 31 1.599 -13.800 -1.372 243 HB2 ARG 31 HB2 ARG 31 0.688 -15.773 -2.558 244 HB3 ARG 31 HB3 ARG 31 0.725 -15.989 -0.813 245 HG2 ARG 31 HG2 ARG 31 -1.663 -15.499 -0.700 246 HG3 ARG 31 HG3 ARG 31 -1.701 -15.273 -2.449 247 HD2 ARG 31 HD2 ARG 31 -0.710 -17.836 -1.255 248 HD3 ARG 31 HD3 ARG 31 -2.437 -17.543 -1.450 249 HE ARG 31 HE ARG 31 -0.502 -17.558 -3.680 250 HH11 ARG 31 HH11 ARG 31 -3.644 -18.283 -2.314 251 HH12 ARG 31 HH12 ARG 31 -4.297 -18.902 -3.804 252 HH21 ARG 31 HH21 ARG 31 -1.323 -18.386 -5.637 253 HH22 ARG 31 HH22 ARG 31 -2.973 -18.954 -5.707 254 H HIS 32 H HIS 32 -1.714 -12.774 -1.733 255 HA HIS 32 HA HIS 32 -1.629 -12.531 -4.570 256 HB2 HIS 32 HB2 HIS 32 -3.511 -11.593 -2.448 257 HB3 HIS 32 HB3 HIS 32 -3.630 -10.893 -4.058 258 HD1 HIS 32 HD1 HIS 32 -5.527 -13.102 -2.384 259 HD2 HIS 32 HD2 HIS 32 -3.263 -13.597 -5.842 260 HE1 HIS 32 HE1 HIS 32 -6.538 -15.063 -3.583 261 HE2 HIS 32 HE2 HIS 32 -5.268 -15.231 -5.755 262 H HIS 33 H HIS 33 -1.091 -10.240 -1.910 263 HA HIS 33 HA HIS 33 -0.562 -8.070 -3.733 264 HB2 HIS 33 HB2 HIS 33 -0.031 -8.319 -0.766 265 HB3 HIS 33 HB3 HIS 33 0.217 -6.848 -1.698 266 HD1 HIS 33 HD1 HIS 33 -2.084 -5.877 -2.852 267 HD2 HIS 33 HD2 HIS 33 -2.513 -8.584 0.277 268 HE1 HIS 33 HE1 HIS 33 -4.444 -5.598 -2.029 269 HE2 HIS 33 HE2 HIS 33 -4.638 -7.158 -0.055 270 H LYS 34 H LYS 34 1.233 -10.602 -2.259 271 HA LYS 34 HA LYS 34 3.825 -9.574 -2.243 272 HB2 LYS 34 HB2 LYS 34 3.150 -11.691 -1.168 273 HB3 LYS 34 HB3 LYS 34 2.928 -12.419 -2.752 274 HG2 LYS 34 HG2 LYS 34 5.336 -12.063 -3.200 275 HG3 LYS 34 HG3 LYS 34 5.517 -11.473 -1.546 276 HD2 LYS 34 HD2 LYS 34 4.709 -13.632 -0.699 277 HD3 LYS 34 HD3 LYS 34 4.552 -14.218 -2.357 278 HE2 LYS 34 HE2 LYS 34 6.971 -13.843 -2.676 279 HE3 LYS 34 HE3 LYS 34 7.096 -13.364 -0.985 280 HZ1 LYS 34 HZ1 LYS 34 6.335 -15.574 -0.344 281 HZ2 LYS 34 HZ2 LYS 34 7.739 -15.664 -1.294 282 HZ3 LYS 34 HZ3 LYS 34 6.231 -16.030 -1.976 283 H SER 35 H SER 35 2.155 -11.428 -4.788 284 HA SER 35 HA SER 35 4.312 -11.388 -6.618 285 HB2 SER 35 HB2 SER 35 1.374 -11.658 -7.291 286 HB3 SER 35 HB3 SER 35 2.750 -12.293 -8.199 287 HG SER 35 HG SER 35 3.153 -13.744 -6.547 288 H CYS 36 H CYS 36 1.614 -9.240 -6.027 289 HA CYS 36 HA CYS 36 1.688 -7.799 -8.439 290 HB2 CYS 36 HB2 CYS 36 0.689 -7.006 -5.702 291 HB3 CYS 36 HB3 CYS 36 0.386 -6.092 -7.173 292 HG CYS 36 HG CYS 36 -0.787 -9.205 -6.383 293 H MET 37 H MET 37 2.975 -6.965 -5.236 294 HA MET 37 HA MET 37 3.986 -4.463 -5.976 295 HB2 MET 37 HB2 MET 37 4.778 -6.293 -3.718 296 HB3 MET 37 HB3 MET 37 5.349 -4.638 -3.885 297 HG2 MET 37 HG2 MET 37 3.023 -3.850 -3.795 298 HG3 MET 37 HG3 MET 37 2.486 -5.511 -3.559 299 HE1 MET 37 HE1 MET 37 4.015 -6.376 -0.067 300 HE2 MET 37 HE2 MET 37 4.735 -6.684 -1.648 301 HE3 MET 37 HE3 MET 37 3.008 -6.942 -1.399 302 H ARG 38 H ARG 38 5.380 -7.622 -6.378 303 HA ARG 38 HA ARG 38 8.078 -6.792 -6.647 304 HB2 ARG 38 HB2 ARG 38 7.154 -9.130 -6.179 305 HB3 ARG 38 HB3 ARG 38 6.866 -9.236 -7.905 306 HG2 ARG 38 HG2 ARG 38 9.007 -10.259 -7.111 307 HG3 ARG 38 HG3 ARG 38 9.169 -9.067 -8.403 308 HD2 ARG 38 HD2 ARG 38 10.873 -8.782 -6.668 309 HD3 ARG 38 HD3 ARG 38 9.829 -7.376 -6.795 310 HE ARG 38 HE ARG 38 8.959 -9.234 -4.785 311 HH11 ARG 38 HH11 ARG 38 11.156 -6.595 -5.469 312 HH12 ARG 38 HH12 ARG 38 11.299 -6.085 -3.812 313 HH21 ARG 38 HH21 ARG 38 9.171 -8.605 -2.584 314 HH22 ARG 38 HH22 ARG 38 10.176 -7.251 -2.163 315 H LYS 39 H LYS 39 5.582 -7.667 -9.022 316 HA LYS 39 HA LYS 39 7.276 -6.896 -11.230 317 HB2 LYS 39 HB2 LYS 39 5.362 -7.466 -12.645 318 HB3 LYS 39 HB3 LYS 39 5.692 -8.742 -11.482 319 HG2 LYS 39 HG2 LYS 39 3.869 -7.910 -10.071 320 HG3 LYS 39 HG3 LYS 39 3.527 -6.665 -11.276 321 HD2 LYS 39 HD2 LYS 39 3.102 -8.418 -12.939 322 HD3 LYS 39 HD3 LYS 39 3.404 -9.645 -11.709 323 HE2 LYS 39 HE2 LYS 39 1.523 -8.762 -10.393 324 HE3 LYS 39 HE3 LYS 39 1.213 -7.572 -11.658 325 HZ1 LYS 39 HZ1 LYS 39 1.066 -10.524 -11.974 326 HZ2 LYS 39 HZ2 LYS 39 0.785 -9.390 -13.204 327 HZ3 LYS 39 HZ3 LYS 39 -0.257 -9.468 -11.866 328 H PHE 40 H PHE 40 5.424 -5.214 -9.078 329 HA PHE 40 HA PHE 40 4.263 -3.194 -10.695 330 HB2 PHE 40 HB2 PHE 40 4.247 -3.913 -8.000 331 HB3 PHE 40 HB3 PHE 40 4.972 -2.310 -8.023 332 HD1 PHE 40 HD2 PHE 40 1.987 -4.246 -9.031 333 HD2 PHE 40 HD1 PHE 40 3.657 -0.389 -8.355 334 HE1 PHE 40 HE2 PHE 40 -0.254 -3.247 -9.218 335 HE2 PHE 40 HE1 PHE 40 1.421 0.615 -8.540 336 HZ PHE 40 HZ PHE 40 -0.539 -0.812 -8.971 337 H LYS 41 H LYS 41 7.404 -3.860 -10.516 338 HA LYS 41 HA LYS 41 8.546 -1.303 -9.876 339 HB2 LYS 41 HB2 LYS 41 9.769 -3.758 -11.144 340 HB3 LYS 41 HB3 LYS 41 10.671 -2.345 -10.620 341 HG2 LYS 41 HG2 LYS 41 10.010 -2.730 -8.327 342 HG3 LYS 41 HG3 LYS 41 9.015 -4.099 -8.821 343 HD2 LYS 41 HD2 LYS 41 11.008 -5.039 -7.992 344 HD3 LYS 41 HD3 LYS 41 11.148 -5.127 -9.746 345 HE2 LYS 41 HE2 LYS 41 12.291 -2.819 -8.209 346 HE3 LYS 41 HE3 LYS 41 13.179 -4.330 -8.365 347 HZ1 LYS 41 HZ1 LYS 41 13.104 -4.088 -10.772 348 HZ2 LYS 41 HZ2 LYS 41 13.835 -2.739 -10.049 349 HZ3 LYS 41 HZ3 LYS 41 12.247 -2.629 -10.625 350 H GLU 42 H GLU 42 6.632 -1.696 -12.278 351 HA GLU 42 HA GLU 42 8.195 -1.165 -14.593 352 HB2 GLU 42 HB2 GLU 42 6.035 -0.564 -15.647 353 HB3 GLU 42 HB3 GLU 42 6.001 -2.129 -14.853 354 HG2 GLU 42 HG2 GLU 42 4.752 -1.248 -13.020 355 HG3 GLU 42 HG3 GLU 42 4.949 0.401 -13.612 356 H TYR 43 H TYR 43 6.559 0.860 -12.221 357 HA TYR 43 HA TYR 43 7.227 3.296 -13.628 358 HB2 TYR 43 HB2 TYR 43 5.852 2.687 -11.028 359 HB3 TYR 43 HB3 TYR 43 6.383 4.325 -11.395 360 HD1 TYR 43 HD1 TYR 43 4.141 1.592 -12.474 361 HD2 TYR 43 HD2 TYR 43 5.199 5.684 -12.938 362 HE1 TYR 43 HE1 TYR 43 2.083 1.971 -13.766 363 HE2 TYR 43 HE2 TYR 43 3.146 6.077 -14.233 364 HH TYR 43 HH TYR 43 1.498 4.969 -15.456 365 H CYS 44 H CYS 44 8.683 1.228 -11.354 366 HA CYS 44 HA CYS 44 10.665 1.253 -10.249 367 HB2 CYS 44 HB2 CYS 44 11.291 3.609 -12.040 368 HB3 CYS 44 HB3 CYS 44 12.462 2.627 -11.164 369 HG CYS 44 HG CYS 44 10.602 1.745 -13.886 370 H GLU 45 H GLU 45 12.333 3.288 -9.397 371 HA GLU 45 HA GLU 45 12.645 4.985 -7.931 372 HB2 GLU 45 HB2 GLU 45 11.064 6.251 -9.378 373 HB3 GLU 45 HB3 GLU 45 9.736 5.685 -8.377 374 HG2 GLU 45 HG2 GLU 45 10.459 7.985 -7.857 375 HG3 GLU 45 HG3 GLU 45 10.570 6.886 -6.482 376 H GLY 46 H GLY 46 12.183 5.624 -5.716 377 HA2 GLY 46 HA2 GLY 46 11.185 3.334 -4.215 378 HA3 GLY 46 HA3 GLY 46 12.111 4.681 -3.574 379 H LEU 47 H LEU 47 10.619 6.822 -4.377 380 HA LEU 47 HA LEU 47 8.827 8.113 -3.874 381 HB2 LEU 47 HB2 LEU 47 7.529 6.236 -4.946 382 HB3 LEU 47 HB3 LEU 47 7.287 5.572 -3.344 383 HG LEU 47 HG LEU 47 6.392 8.370 -3.966 384 HD11 LEU 47 HD11 LEU 47 4.852 5.834 -4.498 385 HD12 LEU 47 HD12 LEU 47 5.463 6.950 -5.720 386 HD13 LEU 47 HD13 LEU 47 4.210 7.474 -4.595 387 HD21 LEU 47 HD21 LEU 47 4.752 7.894 -2.231 388 HD22 LEU 47 HD22 LEU 47 6.388 7.615 -1.631 389 HD23 LEU 47 HD23 LEU 47 5.369 6.247 -2.081 390 H GLN 48 H GLN 48 9.200 9.237 -2.114 391 HA GLN 48 HA GLN 48 9.464 7.863 0.454 392 HB2 GLN 48 HB2 GLN 48 10.500 10.375 -0.712 393 HB3 GLN 48 HB3 GLN 48 10.143 10.410 1.008 394 HG2 GLN 48 HG2 GLN 48 12.515 9.823 0.264 395 HG3 GLN 48 HG3 GLN 48 11.757 8.829 1.504 396 HE21 GLN 48 HE21 GLN 48 12.659 8.998 -1.860 397 HE22 GLN 48 HE22 GLN 48 12.635 7.295 -2.149 398 H PHE 49 H PHE 49 8.947 9.885 2.197 399 HA PHE 49 HA PHE 49 6.212 9.642 2.687 400 HB2 PHE 49 HB2 PHE 49 8.025 11.840 3.703 401 HB3 PHE 49 HB3 PHE 49 6.545 11.258 4.455 402 HD1 PHE 49 HD2 PHE 49 6.498 8.998 5.486 403 HD2 PHE 49 HD1 PHE 49 10.093 10.753 4.034 404 HE1 PHE 49 HE2 PHE 49 7.815 7.388 6.802 405 HE2 PHE 49 HE1 PHE 49 11.415 9.147 5.346 406 HZ PHE 49 HZ PHE 49 10.275 7.460 6.733 407 H HIS 50 H HIS 50 8.005 12.177 1.018 408 HA HIS 50 HA HIS 50 5.801 14.020 1.098 409 HB2 HIS 50 HB2 HIS 50 8.211 14.714 1.195 410 HB3 HIS 50 HB3 HIS 50 8.354 14.259 -0.499 411 HD1 HIS 50 HD1 HIS 50 8.219 16.221 -1.975 412 HD2 HIS 50 HD2 HIS 50 5.843 16.669 1.413 413 HE1 HIS 50 HE1 HIS 50 7.147 18.489 -2.187 414 HE2 HIS 50 HE2 HIS 50 5.602 18.677 -0.203 415 H GLU 51 H GLU 51 6.858 11.557 -1.068 416 HA GLU 51 HA GLU 51 5.450 12.697 -3.336 417 HB2 GLU 51 HB2 GLU 51 6.896 10.066 -2.989 418 HB3 GLU 51 HB3 GLU 51 6.069 10.532 -4.466 419 HG2 GLU 51 HG2 GLU 51 8.316 11.018 -4.843 420 HG3 GLU 51 HG3 GLU 51 7.564 12.574 -4.498 421 H LEU 52 H LEU 52 4.772 10.737 -0.677 422 HA LEU 52 HA LEU 52 2.518 9.378 -1.882 423 HB2 LEU 52 HB2 LEU 52 4.110 8.550 0.014 424 HB3 LEU 52 HB3 LEU 52 3.102 9.524 1.064 425 HG LEU 52 HG LEU 52 2.515 7.105 1.034 426 HD11 LEU 52 HD11 LEU 52 0.867 8.752 1.706 427 HD12 LEU 52 HD12 LEU 52 0.108 7.419 0.838 428 HD13 LEU 52 HD13 LEU 52 0.372 8.962 0.026 429 HD21 LEU 52 HD21 LEU 52 1.613 7.668 -1.785 430 HD22 LEU 52 HD22 LEU 52 1.363 6.172 -0.884 431 HD23 LEU 52 HD23 LEU 52 2.995 6.672 -1.326 432 H THR 53 H THR 53 0.991 10.862 -2.474 433 HA THR 53 HA THR 53 0.017 12.698 -0.382 434 HB THR 53 HB THR 53 -0.721 14.182 -2.264 435 HG1 THR 53 HG1 THR 53 1.075 13.154 -4.062 436 HG21 THR 53 HG21 THR 53 1.318 14.695 -1.034 437 HG22 THR 53 HG22 THR 53 1.530 15.084 -2.742 438 HG23 THR 53 HG23 THR 53 2.243 13.614 -2.076 439 H GLU 54 H GLU 54 -2.276 13.374 -0.698 440 HA GLU 54 HA GLU 54 -4.023 11.184 -0.878 441 HB2 GLU 54 HB2 GLU 54 -4.852 14.055 -1.278 442 HB3 GLU 54 HB3 GLU 54 -5.789 12.744 -0.585 443 HG2 GLU 54 HG2 GLU 54 -5.244 13.817 1.321 444 HG3 GLU 54 HG3 GLU 54 -3.823 12.781 1.193 445 H ASP 55 H ASP 55 -3.088 13.689 -3.178 446 HA ASP 55 HA ASP 55 -4.939 12.954 -5.197 447 HB2 ASP 55 HB2 ASP 55 -3.800 15.151 -5.147 448 HB3 ASP 55 HB3 ASP 55 -2.275 14.353 -5.522 449 H PHE 56 H PHE 56 -1.687 11.873 -4.380 450 HA PHE 56 HA PHE 56 -1.230 10.305 -6.673 451 HB2 PHE 56 HB2 PHE 56 0.556 10.773 -5.056 452 HB3 PHE 56 HB3 PHE 56 -0.286 9.826 -3.834 453 HD1 PHE 56 HD2 PHE 56 1.663 9.686 -6.930 454 HD2 PHE 56 HD1 PHE 56 -0.261 7.413 -3.887 455 HE1 PHE 56 HE2 PHE 56 2.832 7.666 -7.703 456 HE2 PHE 56 HE1 PHE 56 0.909 5.389 -4.654 457 HZ PHE 56 HZ PHE 56 2.453 5.515 -6.569 458 H LEU 57 H LEU 57 -2.585 9.418 -3.502 459 HA LEU 57 HA LEU 57 -3.294 6.793 -4.113 460 HB2 LEU 57 HB2 LEU 57 -4.262 8.838 -2.163 461 HB3 LEU 57 HB3 LEU 57 -5.167 7.345 -2.345 462 HG LEU 57 HG LEU 57 -3.596 7.260 -0.466 463 HD11 LEU 57 HD11 LEU 57 -4.202 5.199 -1.612 464 HD12 LEU 57 HD12 LEU 57 -2.543 5.133 -1.017 465 HD13 LEU 57 HD13 LEU 57 -2.855 5.417 -2.729 466 HD21 LEU 57 HD21 LEU 57 -1.447 7.522 -2.557 467 HD22 LEU 57 HD22 LEU 57 -1.196 7.179 -0.844 468 HD23 LEU 57 HD23 LEU 57 -1.865 8.732 -1.345 469 H ARG 58 H ARG 58 -5.028 9.818 -4.599 470 HA ARG 58 HA ARG 58 -7.440 8.775 -5.584 471 HB2 ARG 58 HB2 ARG 58 -7.357 11.072 -4.980 472 HB3 ARG 58 HB3 ARG 58 -5.997 11.378 -6.052 473 HG2 ARG 58 HG2 ARG 58 -7.563 10.782 -7.959 474 HG3 ARG 58 HG3 ARG 58 -8.868 10.904 -6.776 475 HD2 ARG 58 HD2 ARG 58 -8.402 13.188 -6.366 476 HD3 ARG 58 HD3 ARG 58 -6.867 13.102 -7.234 477 HE ARG 58 HE ARG 58 -9.534 12.988 -8.487 478 HH11 ARG 58 HH11 ARG 58 -6.098 13.706 -8.620 479 HH12 ARG 58 HH12 ARG 58 -6.161 14.261 -10.266 480 HH21 ARG 58 HH21 ARG 58 -9.598 13.718 -10.643 481 HH22 ARG 58 HH22 ARG 58 -8.141 14.273 -11.412 482 H ASP 59 H ASP 59 -4.560 9.929 -7.343 483 HA ASP 59 HA ASP 59 -5.576 9.405 -9.917 484 HB2 ASP 59 HB2 ASP 59 -3.693 10.938 -9.493 485 HB3 ASP 59 HB3 ASP 59 -2.687 9.568 -9.031 486 H TYR 60 H TYR 60 -3.539 7.480 -7.756 487 HA TYR 60 HA TYR 60 -3.123 5.414 -9.681 488 HB2 TYR 60 HB2 TYR 60 -1.980 6.086 -7.245 489 HB3 TYR 60 HB3 TYR 60 -2.803 4.562 -6.916 490 HD1 TYR 60 HD1 TYR 60 -2.116 2.510 -8.024 491 HD2 TYR 60 HD2 TYR 60 -0.134 6.191 -8.818 492 HE1 TYR 60 HE1 TYR 60 -0.283 1.284 -9.111 493 HE2 TYR 60 HE2 TYR 60 1.704 4.975 -9.905 494 HH TYR 60 HH TYR 60 1.485 1.712 -10.775 495 H LEU 61 H LEU 61 -5.490 6.011 -7.172 496 HA LEU 61 HA LEU 61 -6.803 3.542 -7.174 497 HB2 LEU 61 HB2 LEU 61 -7.418 5.288 -5.614 498 HB3 LEU 61 HB3 LEU 61 -7.902 6.344 -6.926 499 HG LEU 61 HG LEU 61 -9.744 4.761 -7.469 500 HD11 LEU 61 HD11 LEU 61 -10.359 3.062 -5.816 501 HD12 LEU 61 HD12 LEU 61 -8.886 3.413 -4.912 502 HD13 LEU 61 HD13 LEU 61 -8.784 2.729 -6.535 503 HD21 LEU 61 HD21 LEU 61 -11.144 5.363 -5.534 504 HD22 LEU 61 HD22 LEU 61 -10.183 6.722 -6.116 505 HD23 LEU 61 HD23 LEU 61 -9.694 5.857 -4.659 506 H ILE 62 H ILE 62 -7.373 6.422 -9.153 507 HA ILE 62 HA ILE 62 -9.247 5.318 -10.908 508 HB ILE 62 HB ILE 62 -7.221 7.486 -11.492 509 HG12 ILE 62 HG12 ILE 62 -10.085 7.691 -10.531 510 HG13 ILE 62 HG13 ILE 62 -8.662 7.939 -9.525 511 HG21 ILE 62 HG21 ILE 62 -9.812 6.805 -12.881 512 HG22 ILE 62 HG22 ILE 62 -8.189 6.574 -13.534 513 HG23 ILE 62 HG23 ILE 62 -8.796 8.203 -13.233 514 HD11 ILE 62 HD11 ILE 62 -8.026 9.846 -10.928 515 HD12 ILE 62 HD12 ILE 62 -9.614 10.055 -10.191 516 HD13 ILE 62 HD13 ILE 62 -9.484 9.607 -11.892 517 H TYR 63 H TYR 63 -5.707 5.575 -11.223 518 HA TYR 63 HA TYR 63 -5.431 4.425 -13.740 519 HB2 TYR 63 HB2 TYR 63 -3.557 5.506 -12.700 520 HB3 TYR 63 HB3 TYR 63 -3.584 4.381 -11.348 521 HD1 TYR 63 HD1 TYR 63 -2.936 4.617 -14.995 522 HD2 TYR 63 HD2 TYR 63 -2.340 2.388 -11.423 523 HE1 TYR 63 HE1 TYR 63 -1.324 3.178 -16.169 524 HE2 TYR 63 HE2 TYR 63 -0.727 0.942 -12.584 525 HH TYR 63 HH TYR 63 0.642 1.711 -15.527 526 H MET 64 H MET 64 -5.512 2.843 -10.580 527 HA MET 64 HA MET 64 -4.954 0.240 -11.570 528 HB2 MET 64 HB2 MET 64 -4.515 0.908 -9.269 529 HB3 MET 64 HB3 MET 64 -6.226 1.146 -8.987 530 HG2 MET 64 HG2 MET 64 -6.675 -1.112 -8.948 531 HG3 MET 64 HG3 MET 64 -5.215 -1.519 -9.848 532 HE1 MET 64 HE1 MET 64 -4.843 0.169 -5.577 533 HE2 MET 64 HE2 MET 64 -6.370 0.202 -6.461 534 HE3 MET 64 HE3 MET 64 -4.992 1.133 -7.046 535 H LYS 65 H LYS 65 -7.922 1.931 -10.750 536 HA LYS 65 HA LYS 65 -9.644 -0.288 -11.262 537 HB2 LYS 65 HB2 LYS 65 -10.251 1.568 -9.770 538 HB3 LYS 65 HB3 LYS 65 -10.248 2.671 -11.136 539 HG2 LYS 65 HG2 LYS 65 -12.090 1.374 -12.141 540 HG3 LYS 65 HG3 LYS 65 -12.120 0.358 -10.696 541 HD2 LYS 65 HD2 LYS 65 -12.559 2.358 -9.332 542 HD3 LYS 65 HD3 LYS 65 -12.594 3.336 -10.799 543 HE2 LYS 65 HE2 LYS 65 -14.464 1.923 -11.622 544 HE3 LYS 65 HE3 LYS 65 -14.471 1.093 -10.065 545 HZ1 LYS 65 HZ1 LYS 65 -15.001 3.978 -10.535 546 HZ2 LYS 65 HZ2 LYS 65 -14.904 3.257 -9.004 547 HZ3 LYS 65 HZ3 LYS 65 -16.136 2.804 -10.078 548 H LYS 66 H LYS 66 -8.553 2.477 -13.143 549 HA LYS 66 HA LYS 66 -10.349 1.929 -15.344 550 HB2 LYS 66 HB2 LYS 66 -9.990 4.207 -14.842 551 HB3 LYS 66 HB3 LYS 66 -8.253 4.000 -14.752 552 HG2 LYS 66 HG2 LYS 66 -8.370 3.482 -17.253 553 HG3 LYS 66 HG3 LYS 66 -9.996 4.172 -17.180 554 HD2 LYS 66 HD2 LYS 66 -9.114 6.248 -16.300 555 HD3 LYS 66 HD3 LYS 66 -7.490 5.561 -16.235 556 HE2 LYS 66 HE2 LYS 66 -7.592 5.267 -18.704 557 HE3 LYS 66 HE3 LYS 66 -9.130 6.129 -18.696 558 HZ1 LYS 66 HZ1 LYS 66 -7.398 7.660 -19.223 559 HZ2 LYS 66 HZ2 LYS 66 -6.480 7.194 -17.876 560 HZ3 LYS 66 HZ3 LYS 66 -7.940 8.023 -17.658 561 H THR 67 H THR 67 -6.804 2.328 -15.156 562 HA THR 67 HA THR 67 -6.446 1.250 -17.774 563 HB THR 67 HB THR 67 -4.326 1.773 -15.685 564 HG1 THR 67 HG1 THR 67 -4.338 3.762 -17.333 565 HG21 THR 67 HG21 THR 67 -2.855 2.077 -17.623 566 HG22 THR 67 HG22 THR 67 -4.196 1.696 -18.703 567 HG23 THR 67 HG23 THR 67 -3.562 0.460 -17.616 568 H LEU 68 H LEU 68 -5.603 0.086 -14.511 569 HA LEU 68 HA LEU 68 -4.708 -2.459 -15.495 570 HB2 LEU 68 HB2 LEU 68 -5.412 -1.579 -12.693 571 HB3 LEU 68 HB3 LEU 68 -4.646 -3.101 -13.101 572 HG LEU 68 HG LEU 68 -3.456 -0.356 -13.504 573 HD11 LEU 68 HD11 LEU 68 -2.755 -2.569 -11.583 574 HD12 LEU 68 HD12 LEU 68 -3.534 -1.042 -11.169 575 HD13 LEU 68 HD13 LEU 68 -1.878 -1.051 -11.776 576 HD21 LEU 68 HD21 LEU 68 -2.755 -1.898 -15.256 577 HD22 LEU 68 HD22 LEU 68 -2.291 -3.085 -14.038 578 HD23 LEU 68 HD23 LEU 68 -1.425 -1.552 -14.150 579 H CYS 69 H CYS 69 -7.681 -1.085 -14.427 580 HA CYS 69 HA CYS 69 -9.824 -1.774 -14.483 581 HB2 CYS 69 HB2 CYS 69 -9.064 -2.592 -16.778 582 HB3 CYS 69 HB3 CYS 69 -8.953 -4.193 -16.055 583 HG CYS 69 HG CYS 69 -11.821 -2.327 -16.152 584 H ASN 70 H ASN 70 -9.837 -2.112 -12.270 585 HA ASN 70 HA ASN 70 -10.171 -4.914 -11.506 586 HB2 ASN 70 HB2 ASN 70 -8.406 -2.907 -10.100 587 HB3 ASN 70 HB3 ASN 70 -9.056 -4.316 -9.272 588 HD21 ASN 70 HD21 ASN 70 -6.805 -3.173 -11.644 589 HD22 ASN 70 HD22 ASN 70 -5.944 -4.666 -11.848 590 H ALA 71 H ALA 71 -11.282 -5.058 -9.332 591 HA ALA 71 HA ALA 71 -13.569 -3.312 -9.375 592 HB1 ALA 71 HB1 ALA 71 -13.853 -5.694 -8.952 593 HB2 ALA 71 HB2 ALA 71 -14.418 -4.746 -7.575 594 HB3 ALA 71 HB3 ALA 71 -12.860 -5.568 -7.501 595 H ASP 72 H ASP 72 -14.392 -2.298 -7.359 596 HA ASP 72 HA ASP 72 -12.538 -0.456 -6.347 597 HB2 ASP 72 HB2 ASP 72 -14.275 0.292 -4.832 598 HB3 ASP 72 HB3 ASP 72 -14.987 -0.046 -6.401 599 H SER 73 H SER 73 -13.785 -3.461 -4.968 600 HA SER 73 HA SER 73 -12.605 -3.232 -2.432 601 HB2 SER 73 HB2 SER 73 -13.165 -5.776 -3.978 602 HB3 SER 73 HB3 SER 73 -13.016 -5.615 -2.228 603 HG SER 73 HG SER 73 -14.833 -4.031 -2.494 604 H THR 74 H THR 74 -11.420 -4.621 -5.457 605 HA THR 74 HA THR 74 -8.975 -5.606 -4.467 606 HB THR 74 HB THR 74 -9.372 -4.589 -7.276 607 HG1 THR 74 HG1 THR 74 -10.113 -7.207 -6.530 608 HG21 THR 74 HG21 THR 74 -7.964 -6.524 -7.839 609 HG22 THR 74 HG22 THR 74 -7.865 -6.944 -6.129 610 HG23 THR 74 HG23 THR 74 -7.154 -5.438 -6.711 611 H ALA 75 H ALA 75 -9.893 -2.544 -5.980 612 HA ALA 75 HA ALA 75 -7.321 -1.398 -6.035 613 HB1 ALA 75 HB1 ALA 75 -8.462 0.705 -6.443 614 HB2 ALA 75 HB2 ALA 75 -9.991 -0.005 -5.926 615 HB3 ALA 75 HB3 ALA 75 -9.198 -0.589 -7.389 616 H GLN 76 H GLN 76 -9.990 -1.023 -3.697 617 HA GLN 76 HA GLN 76 -8.706 0.801 -2.006 618 HB2 GLN 76 HB2 GLN 76 -10.921 -1.200 -1.593 619 HB3 GLN 76 HB3 GLN 76 -10.395 -0.112 -0.327 620 HG2 GLN 76 HG2 GLN 76 -11.404 0.761 -3.017 621 HG3 GLN 76 HG3 GLN 76 -12.388 0.683 -1.560 622 HE21 GLN 76 HE21 GLN 76 -11.677 2.942 -3.283 623 HE22 GLN 76 HE22 GLN 76 -10.951 4.121 -2.247 624 H ARG 77 H ARG 77 -8.776 -2.730 -2.052 625 HA ARG 77 HA ARG 77 -7.370 -3.144 0.358 626 HB2 ARG 77 HB2 ARG 77 -8.064 -4.781 -2.006 627 HB3 ARG 77 HB3 ARG 77 -6.700 -5.338 -1.045 628 HG2 ARG 77 HG2 ARG 77 -8.099 -5.389 0.940 629 HG3 ARG 77 HG3 ARG 77 -9.470 -4.793 -0.002 630 HD2 ARG 77 HD2 ARG 77 -9.697 -6.770 -1.169 631 HD3 ARG 77 HD3 ARG 77 -8.026 -7.253 -0.879 632 HE ARG 77 HE ARG 77 -9.255 -7.190 1.600 633 HH11 ARG 77 HH11 ARG 77 -9.762 -8.890 -1.412 634 HH12 ARG 77 HH12 ARG 77 -10.278 -10.365 -0.650 635 HH21 ARG 77 HH21 ARG 77 -9.919 -9.128 2.617 636 HH22 ARG 77 HH22 ARG 77 -10.335 -10.514 1.651 637 H ASN 78 H ASN 78 -6.248 -2.843 -2.999 638 HA ASN 78 HA ASN 78 -3.553 -3.419 -2.397 639 HB2 ASN 78 HB2 ASN 78 -4.832 -3.478 -4.648 640 HB3 ASN 78 HB3 ASN 78 -4.431 -1.765 -4.737 641 HD21 ASN 78 HD21 ASN 78 -3.156 -2.084 -6.526 642 HD22 ASN 78 HD22 ASN 78 -1.610 -2.831 -6.415 643 H LEU 79 H LEU 79 -5.407 -0.433 -2.612 644 HA LEU 79 HA LEU 79 -3.182 1.304 -2.281 645 HB2 LEU 79 HB2 LEU 79 -6.132 1.699 -1.838 646 HB3 LEU 79 HB3 LEU 79 -4.961 2.974 -1.561 647 HG LEU 79 HG LEU 79 -5.524 1.614 -4.197 648 HD11 LEU 79 HD11 LEU 79 -7.271 3.151 -3.514 649 HD12 LEU 79 HD12 LEU 79 -6.346 3.818 -4.860 650 HD13 LEU 79 HD13 LEU 79 -6.072 4.408 -3.222 651 HD21 LEU 79 HD21 LEU 79 -3.977 3.240 -5.155 652 HD22 LEU 79 HD22 LEU 79 -3.162 2.188 -3.999 653 HD23 LEU 79 HD23 LEU 79 -3.594 3.836 -3.540 654 H SER 80 H SER 80 -5.418 -0.236 -0.012 655 HA SER 80 HA SER 80 -4.349 1.097 2.269 656 HB2 SER 80 HB2 SER 80 -5.525 -0.776 3.544 657 HB3 SER 80 HB3 SER 80 -6.545 0.242 2.531 658 HG SER 80 HG SER 80 -6.796 -1.360 1.115 659 H THR 81 H THR 81 -3.221 -1.447 0.315 660 HA THR 81 HA THR 81 -1.525 -2.705 2.233 661 HB THR 81 HB THR 81 -1.184 -2.563 -0.776 662 HG1 THR 81 HG1 THR 81 -3.225 -3.499 0.173 663 HG21 THR 81 HG21 THR 81 0.071 -4.664 -0.480 664 HG22 THR 81 HG22 THR 81 -0.093 -4.501 1.269 665 HG23 THR 81 HG23 THR 81 0.838 -3.314 0.356 666 H ILE 82 H ILE 82 -1.138 -0.094 -0.123 667 HA ILE 82 HA ILE 82 1.509 0.624 0.600 668 HB ILE 82 HB ILE 82 -0.724 2.274 -0.614 669 HG12 ILE 82 HG12 ILE 82 1.716 1.036 -1.902 670 HG13 ILE 82 HG13 ILE 82 0.106 0.333 -1.951 671 HG21 ILE 82 HG21 ILE 82 1.015 3.872 -1.276 672 HG22 ILE 82 HG22 ILE 82 2.202 2.949 -0.354 673 HG23 ILE 82 HG23 ILE 82 0.869 3.747 0.478 674 HD11 ILE 82 HD11 ILE 82 -0.702 2.318 -3.146 675 HD12 ILE 82 HD12 ILE 82 0.592 1.491 -4.013 676 HD13 ILE 82 HD13 ILE 82 0.934 2.977 -3.125 677 H LYS 83 H LYS 83 -1.694 1.596 1.685 678 HA LYS 83 HA LYS 83 -1.052 3.596 3.507 679 HB2 LYS 83 HB2 LYS 83 -3.341 2.740 2.687 680 HB3 LYS 83 HB3 LYS 83 -3.221 1.558 3.978 681 HG2 LYS 83 HG2 LYS 83 -2.886 4.443 4.636 682 HG3 LYS 83 HG3 LYS 83 -4.503 3.817 4.308 683 HD2 LYS 83 HD2 LYS 83 -4.130 2.090 6.042 684 HD3 LYS 83 HD3 LYS 83 -2.576 2.841 6.414 685 HE2 LYS 83 HE2 LYS 83 -3.752 4.939 6.951 686 HE3 LYS 83 HE3 LYS 83 -5.292 4.139 6.643 687 HZ1 LYS 83 HZ1 LYS 83 -4.788 4.191 9.000 688 HZ2 LYS 83 HZ2 LYS 83 -3.326 3.376 8.736 689 HZ3 LYS 83 HZ3 LYS 83 -4.801 2.589 8.438 690 H ILE 84 H ILE 84 -0.721 0.128 3.784 691 HA ILE 84 HA ILE 84 -0.384 -0.125 6.536 692 HB ILE 84 HB ILE 84 0.915 -1.662 4.284 693 HG12 ILE 84 HG12 ILE 84 -1.518 -1.871 4.408 694 HG13 ILE 84 HG13 ILE 84 -0.743 -3.384 4.860 695 HG21 ILE 84 HG21 ILE 84 1.497 -3.375 5.920 696 HG22 ILE 84 HG22 ILE 84 0.896 -2.346 7.220 697 HG23 ILE 84 HG23 ILE 84 2.305 -1.849 6.282 698 HD11 ILE 84 HD11 ILE 84 -2.634 -2.894 6.305 699 HD12 ILE 84 HD12 ILE 84 -1.895 -1.359 6.766 700 HD13 ILE 84 HD13 ILE 84 -1.123 -2.880 7.215 701 H TYR 85 H TYR 85 2.204 0.409 4.073 702 HA TYR 85 HA TYR 85 4.184 0.617 6.115 703 HB2 TYR 85 HB2 TYR 85 5.723 0.647 4.447 704 HB3 TYR 85 HB3 TYR 85 4.375 0.061 3.495 705 HD1 TYR 85 HD2 TYR 85 6.585 2.898 4.158 706 HD2 TYR 85 HD1 TYR 85 3.318 1.498 1.823 707 HE1 TYR 85 HE2 TYR 85 6.896 4.781 2.611 708 HE2 TYR 85 HE1 TYR 85 3.625 3.374 0.265 709 HH TYR 85 HH TYR 85 6.383 5.336 0.257 710 H VAL 86 H VAL 86 2.221 2.881 4.314 711 HA VAL 86 HA VAL 86 3.422 5.283 5.119 712 HB VAL 86 HB VAL 86 0.507 4.669 4.574 713 HG11 VAL 86 HG11 VAL 86 0.671 6.695 5.902 714 HG12 VAL 86 HG12 VAL 86 0.227 7.085 4.241 715 HG13 VAL 86 HG13 VAL 86 1.881 7.345 4.796 716 HG21 VAL 86 HG21 VAL 86 0.955 5.654 2.383 717 HG22 VAL 86 HG22 VAL 86 1.995 4.260 2.682 718 HG23 VAL 86 HG23 VAL 86 2.644 5.894 2.832 719 H SER 87 H SER 87 0.776 3.433 6.570 720 HA SER 87 HA SER 87 0.420 5.049 8.829 721 HB2 SER 87 HB2 SER 87 -0.538 2.510 7.809 722 HB3 SER 87 HB3 SER 87 -0.351 2.473 9.568 723 HG SER 87 HG SER 87 -1.533 4.560 9.501 724 H ALA 88 H ALA 88 2.525 2.253 8.278 725 HA ALA 88 HA ALA 88 3.505 2.016 10.909 726 HB1 ALA 88 HB1 ALA 88 5.424 0.874 9.908 727 HB2 ALA 88 HB2 ALA 88 4.937 1.450 8.313 728 HB3 ALA 88 HB3 ALA 88 3.909 0.320 9.194 729 H ALA 89 H ALA 89 4.577 3.939 8.153 730 HA ALA 89 HA ALA 89 6.776 5.173 9.435 731 HB1 ALA 89 HB1 ALA 89 6.558 5.059 7.000 732 HB2 ALA 89 HB2 ALA 89 6.759 6.722 7.554 733 HB3 ALA 89 HB3 ALA 89 5.164 6.139 7.077 734 H ILE 90 H ILE 90 3.380 5.777 9.499 735 HA ILE 90 HA ILE 90 3.656 8.413 10.622 736 HB ILE 90 HB ILE 90 1.273 6.555 10.504 737 HG12 ILE 90 HG12 ILE 90 1.834 9.049 8.895 738 HG13 ILE 90 HG13 ILE 90 2.202 7.420 8.331 739 HG21 ILE 90 HG21 ILE 90 1.399 9.464 11.295 740 HG22 ILE 90 HG22 ILE 90 1.033 8.104 12.359 741 HG23 ILE 90 HG23 ILE 90 -0.078 8.530 11.057 742 HD11 ILE 90 HD11 ILE 90 -0.156 6.835 8.479 743 HD12 ILE 90 HD12 ILE 90 0.103 8.223 7.420 744 HD13 ILE 90 HD13 ILE 90 -0.523 8.462 9.052 745 H LYS 91 H LYS 91 3.056 5.146 11.814 746 HA LYS 91 HA LYS 91 2.334 5.930 14.436 747 HB2 LYS 91 HB2 LYS 91 1.740 3.758 13.296 748 HB3 LYS 91 HB3 LYS 91 3.393 3.234 13.591 749 HG2 LYS 91 HG2 LYS 91 1.798 2.391 15.266 750 HG3 LYS 91 HG3 LYS 91 3.072 3.393 15.970 751 HD2 LYS 91 HD2 LYS 91 1.562 5.298 16.029 752 HD3 LYS 91 HD3 LYS 91 0.295 4.338 15.268 753 HE2 LYS 91 HE2 LYS 91 0.236 2.861 17.202 754 HE3 LYS 91 HE3 LYS 91 1.551 3.771 17.950 755 HZ1 LYS 91 HZ1 LYS 91 -1.138 4.847 17.283 756 HZ2 LYS 91 HZ2 LYS 91 0.127 5.722 17.990 757 HZ3 LYS 91 HZ3 LYS 91 -0.590 4.442 18.840 758 H LYS 92 H LYS 92 5.392 4.729 13.077 759 HA LYS 92 HA LYS 92 6.737 5.789 15.449 760 HB2 LYS 92 HB2 LYS 92 8.123 3.782 15.594 761 HB3 LYS 92 HB3 LYS 92 6.429 3.410 15.857 762 HG2 LYS 92 HG2 LYS 92 6.267 2.596 13.554 763 HG3 LYS 92 HG3 LYS 92 7.979 2.952 13.315 764 HD2 LYS 92 HD2 LYS 92 8.491 1.397 15.196 765 HD3 LYS 92 HD3 LYS 92 6.779 0.964 15.237 766 HE2 LYS 92 HE2 LYS 92 6.932 0.227 12.899 767 HE3 LYS 92 HE3 LYS 92 8.650 0.620 12.898 768 HZ1 LYS 92 HZ1 LYS 92 8.867 -0.997 14.780 769 HZ2 LYS 92 HZ2 LYS 92 8.471 -1.682 13.285 770 HZ3 LYS 92 HZ3 LYS 92 7.270 -1.482 14.469 771 H GLY 93 H GLY 93 6.445 6.455 12.489 772 HA2 GLY 93 HA2 GLY 93 9.275 6.237 11.705 773 HA3 GLY 93 HA3 GLY 93 7.937 6.482 10.593 774 H TYR 94 H TYR 94 7.560 8.490 9.917 775 HA TYR 94 HA TYR 94 8.468 10.747 11.507 776 HB2 TYR 94 HB2 TYR 94 9.974 9.657 9.401 777 HB3 TYR 94 HB3 TYR 94 9.259 11.133 8.777 778 HD1 TYR 94 HD2 TYR 94 11.290 9.766 11.553 779 HD2 TYR 94 HD1 TYR 94 10.158 13.241 9.376 780 HE1 TYR 94 HE2 TYR 94 13.011 11.059 12.737 781 HE2 TYR 94 HE1 TYR 94 11.877 14.543 10.558 782 HH TYR 94 HH TYR 94 13.102 14.446 12.677 783 H MET 95 H MET 95 6.129 9.357 9.651 784 HA MET 95 HA MET 95 5.210 11.804 8.347 785 HB2 MET 95 HB2 MET 95 5.142 9.271 7.476 786 HB3 MET 95 HB3 MET 95 3.593 9.302 8.305 787 HG2 MET 95 HG2 MET 95 2.902 11.211 6.945 788 HG3 MET 95 HG3 MET 95 4.459 11.191 6.126 789 HE1 MET 95 HE1 MET 95 1.579 11.096 4.658 790 HE2 MET 95 HE2 MET 95 1.920 9.914 3.392 791 HE3 MET 95 HE3 MET 95 3.118 11.147 3.802 792 H GLU 96 H GLU 96 3.357 12.900 8.923 793 HA GLU 96 HA GLU 96 2.637 12.508 11.723 794 HB2 GLU 96 HB2 GLU 96 3.357 14.742 10.799 795 HB3 GLU 96 HB3 GLU 96 1.852 14.781 9.895 796 HG2 GLU 96 HG2 GLU 96 0.623 14.608 12.044 797 HG3 GLU 96 HG3 GLU 96 2.167 14.740 12.884 798 H ASN 97 H ASN 97 1.098 12.769 8.559 799 HA ASN 97 HA ASN 97 -1.330 11.578 9.711 800 HB2 ASN 97 HB2 ASN 97 -1.332 13.935 7.805 801 HB3 ASN 97 HB3 ASN 97 -2.757 13.077 8.373 802 HD21 ASN 97 HD21 ASN 97 -0.369 15.427 9.073 803 HD22 ASN 97 HD22 ASN 97 -1.004 15.948 10.598 804 H ASP 98 H ASP 98 -2.532 10.312 8.309 805 HA ASP 98 HA ASP 98 -1.118 9.325 5.994 806 HB2 ASP 98 HB2 ASP 98 -3.103 7.747 5.903 807 HB3 ASP 98 HB3 ASP 98 -2.107 7.626 7.341 808 HA PRO 99 HA PRO 99 -3.246 11.674 2.949 809 HB2 PRO 99 HB2 PRO 99 -3.648 9.768 1.016 810 HB3 PRO 99 HB3 PRO 99 -2.109 10.587 1.289 811 HG2 PRO 99 HG2 PRO 99 -3.026 7.901 2.247 812 HG3 PRO 99 HG3 PRO 99 -1.454 8.371 1.566 813 HD2 PRO 99 HD2 PRO 99 -1.791 8.068 4.206 814 HD3 PRO 99 HD3 PRO 99 -0.760 9.363 3.554 815 H PHE 100 H PHE 100 -4.642 8.557 3.847 816 HA PHE 100 HA PHE 100 -7.171 9.004 2.627 817 HB2 PHE 100 HB2 PHE 100 -6.190 7.007 4.652 818 HB3 PHE 100 HB3 PHE 100 -7.872 7.060 4.138 819 HD1 PHE 100 HD2 PHE 100 -8.448 6.621 1.768 820 HD2 PHE 100 HD1 PHE 100 -4.515 6.040 3.282 821 HE1 PHE 100 HE2 PHE 100 -7.911 5.217 -0.180 822 HE2 PHE 100 HE1 PHE 100 -3.969 4.636 1.336 823 HZ PHE 100 HZ PHE 100 -5.669 4.223 -0.397 824 H LYS 101 H LYS 101 -5.796 10.232 5.472 825 HA LYS 101 HA LYS 101 -8.153 10.389 7.032 826 HB2 LYS 101 HB2 LYS 101 -5.869 10.435 7.964 827 HB3 LYS 101 HB3 LYS 101 -5.579 11.975 7.171 828 HG2 LYS 101 HG2 LYS 101 -7.886 11.775 9.015 829 HG3 LYS 101 HG3 LYS 101 -6.262 11.810 9.703 830 HD2 LYS 101 HD2 LYS 101 -7.253 13.821 7.701 831 HD3 LYS 101 HD3 LYS 101 -7.376 14.041 9.438 832 HE2 LYS 101 HE2 LYS 101 -4.926 13.781 9.619 833 HE3 LYS 101 HE3 LYS 101 -4.839 13.666 7.865 834 HZ1 LYS 101 HZ1 LYS 101 -5.615 15.884 7.644 835 HZ2 LYS 101 HZ2 LYS 101 -4.352 15.908 8.776 836 HZ3 LYS 101 HZ3 LYS 101 -5.957 16.005 9.302 837 H ASP 102 H ASP 102 -6.511 12.567 4.774 838 HA ASP 102 HA ASP 102 -8.671 14.505 5.003 839 HB2 ASP 102 HB2 ASP 102 -5.966 14.517 3.734 840 HB3 ASP 102 HB3 ASP 102 -7.185 15.631 3.138 841 H PHE 103 H PHE 103 -7.453 12.077 2.890 842 HA PHE 103 HA PHE 103 -8.942 12.881 0.579 843 HB2 PHE 103 HB2 PHE 103 -6.871 11.681 0.275 844 HB3 PHE 103 HB3 PHE 103 -7.449 10.337 1.249 845 HD1 PHE 103 HD1 PHE 103 -8.370 12.228 -1.833 846 HD2 PHE 103 HD2 PHE 103 -8.220 8.473 0.167 847 HE1 PHE 103 HE1 PHE 103 -9.175 11.113 -3.873 848 HE2 PHE 103 HE2 PHE 103 -9.029 7.355 -1.869 849 HZ PHE 103 HZ PHE 103 -9.506 8.673 -3.894 850 H GLY 104 H GLY 104 -9.443 10.620 3.218 851 HA2 GLY 104 HA2 GLY 104 -11.874 9.624 1.916 852 HA3 GLY 104 HA3 GLY 104 -11.066 8.882 3.288 853 H LEU 105 H LEU 105 -10.820 11.227 4.907 854 HA LEU 105 HA LEU 105 -13.651 11.432 5.665 855 HB2 LEU 105 HB2 LEU 105 -11.166 11.605 7.365 856 HB3 LEU 105 HB3 LEU 105 -12.773 11.963 7.958 857 HG LEU 105 HG LEU 105 -12.324 9.787 8.698 858 HD11 LEU 105 HD11 LEU 105 -14.540 9.990 7.742 859 HD12 LEU 105 HD12 LEU 105 -13.906 8.363 7.496 860 HD13 LEU 105 HD13 LEU 105 -13.922 9.515 6.160 861 HD21 LEU 105 HD21 LEU 105 -11.494 7.981 7.256 862 HD22 LEU 105 HD22 LEU 105 -10.356 9.324 7.355 863 HD23 LEU 105 HD23 LEU 105 -11.359 9.123 5.918 864 H GLU 106 H GLU 106 -14.179 13.279 4.465 865 HA GLU 106 HA GLU 106 -12.876 15.775 5.066 866 HB2 GLU 106 HB2 GLU 106 -14.043 15.587 2.948 867 HB3 GLU 106 HB3 GLU 106 -15.534 15.137 3.760 868 HG2 GLU 106 HG2 GLU 106 -15.542 17.450 2.932 869 HG3 GLU 106 HG3 GLU 106 -15.767 17.343 4.675 870 H HIS 107 H HIS 107 -13.254 17.040 6.771 871 HA HIS 107 HA HIS 107 -14.431 15.940 9.045 872 HB2 HIS 107 HB2 HIS 107 -13.573 18.761 8.418 873 HB3 HIS 107 HB3 HIS 107 -14.200 18.296 9.996 874 HD1 HIS 107 HD1 HIS 107 -11.161 18.215 7.917 875 HD2 HIS 107 HD2 HIS 107 -12.538 16.438 11.415 876 HE1 HIS 107 HE1 HIS 107 -9.129 17.230 9.023 877 HE2 HIS 107 HE2 HIS 107 -10.024 15.971 11.014 878 H HIS 108 H HIS 108 -15.661 18.396 6.820 879 HA HIS 108 HA HIS 108 -17.764 19.090 6.328 880 HB2 HIS 108 HB2 HIS 108 -18.370 16.687 6.385 881 HB3 HIS 108 HB3 HIS 108 -18.698 16.824 8.107 882 HD1 HIS 108 HD1 HIS 108 -20.193 17.366 4.787 883 HD2 HIS 108 HD2 HIS 108 -21.054 18.361 8.728 884 HE1 HIS 108 HE1 HIS 108 -22.603 18.075 4.792 885 HE2 HIS 108 HE2 HIS 108 -23.145 18.538 7.207 886 H HIS 109 H HIS 109 -17.849 18.045 9.731 887 HA HIS 109 HA HIS 109 -18.824 20.738 10.424 888 HB2 HIS 109 HB2 HIS 109 -20.548 19.079 10.834 889 HB3 HIS 109 HB3 HIS 109 -19.419 18.075 11.737 890 HD1 HIS 109 HD1 HIS 109 -19.989 18.179 14.134 891 HD2 HIS 109 HD2 HIS 109 -20.503 21.860 12.266 892 HE1 HIS 109 HE1 HIS 109 -20.695 19.773 15.949 893 HE2 HIS 109 HE2 HIS 109 -21.176 21.944 14.763 894 H HIS 110 H HIS 110 -17.327 21.892 11.393 895 HA HIS 110 HA HIS 110 -15.784 20.647 13.546 896 HB2 HIS 110 HB2 HIS 110 -13.807 22.132 12.861 897 HB3 HIS 110 HB3 HIS 110 -14.095 20.691 11.900 898 HD1 HIS 110 HD1 HIS 110 -14.379 24.460 11.723 899 HD2 HIS 110 HD2 HIS 110 -14.674 21.138 9.230 900 HE1 HIS 110 HE1 HIS 110 -14.421 25.367 9.380 901 HE2 HIS 110 HE2 HIS 110 -14.713 23.354 7.891 902 H HIS 111 H HIS 111 -17.329 21.580 14.889 903 HA HIS 111 HA HIS 111 -18.459 23.169 16.058 904 HB2 HIS 111 HB2 HIS 111 -16.006 23.617 16.700 905 HB3 HIS 111 HB3 HIS 111 -16.092 24.987 15.602 906 HD1 HIS 111 HD1 HIS 111 -17.024 23.887 19.005 907 HD2 HIS 111 HD2 HIS 111 -17.855 27.077 16.467 908 HE1 HIS 111 HE1 HIS 111 -18.036 25.667 20.459 909 HE2 HIS 111 HE2 HIS 111 -18.356 27.651 18.939 910 H HIS 112 H HIS 112 -16.991 25.913 14.656 911 HA HIS 112 HA HIS 112 -17.894 26.164 12.145 912 HB2 HIS 112 HB2 HIS 112 -19.947 27.489 12.174 913 HB3 HIS 112 HB3 HIS 112 -20.227 25.901 12.860 914 HD1 HIS 112 HD1 HIS 112 -20.624 29.468 13.515 915 HD2 HIS 112 HD2 HIS 112 -20.597 25.959 15.749 916 HE1 HIS 112 HE1 HIS 112 -21.707 30.051 15.707 917 HE2 HIS 112 HE2 HIS 112 -21.893 27.862 16.935 Start of MODEL 2 1 H1 MET 1 H1 MET 1 16.563 -5.060 14.319 2 H2 MET 1 H2 MET 1 15.025 -4.556 14.810 3 H3 MET 1 H3 MET 1 16.262 -3.413 14.588 4 HA MET 1 HA MET 1 14.892 -5.024 12.525 5 HB2 MET 1 HB2 MET 1 13.622 -3.082 13.096 6 HB3 MET 1 HB3 MET 1 15.058 -2.068 13.122 7 HG2 MET 1 HG2 MET 1 13.704 -1.653 11.144 8 HG3 MET 1 HG3 MET 1 15.292 -2.287 10.720 9 HE1 MET 1 HE1 MET 1 12.006 -4.159 11.990 10 HE2 MET 1 HE2 MET 1 11.311 -4.599 10.430 11 HE3 MET 1 HE3 MET 1 11.474 -2.901 10.880 12 H ASN 2 H ASN 2 16.541 -6.002 11.509 13 HA ASN 2 HA ASN 2 18.372 -4.223 10.067 14 HB2 ASN 2 HB2 ASN 2 19.765 -5.135 11.791 15 HB3 ASN 2 HB3 ASN 2 19.132 -6.757 11.528 16 HD21 ASN 2 HD21 ASN 2 21.169 -4.226 10.211 17 HD22 ASN 2 HD22 ASN 2 22.046 -5.253 9.117 18 H ASN 3 H ASN 3 17.981 -4.440 8.019 19 HA ASN 3 HA ASN 3 17.758 -7.044 6.784 20 HB2 ASN 3 HB2 ASN 3 15.405 -6.469 7.422 21 HB3 ASN 3 HB3 ASN 3 15.539 -4.993 6.471 22 HD21 ASN 3 HD21 ASN 3 15.257 -8.449 6.386 23 HD22 ASN 3 HD22 ASN 3 14.905 -8.586 4.695 24 HA PRO 4 HA PRO 4 20.176 -5.041 3.637 25 HB2 PRO 4 HB2 PRO 4 18.305 -6.461 1.791 26 HB3 PRO 4 HB3 PRO 4 20.071 -6.381 1.760 27 HG2 PRO 4 HG2 PRO 4 18.822 -8.552 2.663 28 HG3 PRO 4 HG3 PRO 4 20.303 -7.961 3.438 29 HD2 PRO 4 HD2 PRO 4 17.486 -7.807 4.370 30 HD3 PRO 4 HD3 PRO 4 18.984 -7.922 5.314 31 H SER 5 H SER 5 16.647 -5.037 3.434 32 HA SER 5 HA SER 5 15.133 -3.531 2.648 33 HB2 SER 5 HB2 SER 5 16.468 -2.129 4.332 34 HB3 SER 5 HB3 SER 5 17.310 -1.448 2.942 35 HG SER 5 HG SER 5 15.603 -0.302 2.451 36 H ASP 6 H ASP 6 16.319 -4.980 0.742 37 HA ASP 6 HA ASP 6 17.554 -3.317 -1.272 38 HB2 ASP 6 HB2 ASP 6 18.119 -5.774 -0.640 39 HB3 ASP 6 HB3 ASP 6 16.757 -6.177 -1.678 40 H PHE 7 H PHE 7 14.588 -3.431 -0.376 41 HA PHE 7 HA PHE 7 13.191 -3.928 -2.832 42 HB2 PHE 7 HB2 PHE 7 12.184 -2.510 -0.371 43 HB3 PHE 7 HB3 PHE 7 11.238 -3.314 -1.607 44 HD1 PHE 7 HD2 PHE 7 11.294 -5.792 -1.802 45 HD2 PHE 7 HD1 PHE 7 13.095 -3.719 1.453 46 HE1 PHE 7 HE2 PHE 7 11.380 -7.888 -0.518 47 HE2 PHE 7 HE1 PHE 7 13.188 -5.811 2.738 48 HZ PHE 7 HZ PHE 7 12.333 -7.899 1.755 49 H LYS 8 H LYS 8 12.998 -2.521 -4.420 50 HA LYS 8 HA LYS 8 14.191 0.099 -4.065 51 HB2 LYS 8 HB2 LYS 8 13.534 -1.603 -6.434 52 HB3 LYS 8 HB3 LYS 8 13.856 0.113 -6.631 53 HG2 LYS 8 HG2 LYS 8 16.033 -0.183 -5.523 54 HG3 LYS 8 HG3 LYS 8 15.705 -1.908 -5.381 55 HD2 LYS 8 HD2 LYS 8 15.850 -0.411 -7.992 56 HD3 LYS 8 HD3 LYS 8 17.194 -1.302 -7.281 57 HE2 LYS 8 HE2 LYS 8 15.691 -3.328 -7.287 58 HE3 LYS 8 HE3 LYS 8 14.570 -2.388 -8.271 59 HZ1 LYS 8 HZ1 LYS 8 17.385 -3.031 -8.971 60 HZ2 LYS 8 HZ2 LYS 8 16.332 -2.097 -9.917 61 HZ3 LYS 8 HZ3 LYS 8 16.005 -3.743 -9.657 62 H SER 9 H SER 9 11.224 -0.909 -3.581 63 HA SER 9 HA SER 9 10.259 1.802 -3.979 64 HB2 SER 9 HB2 SER 9 8.110 1.077 -4.897 65 HB3 SER 9 HB3 SER 9 9.428 0.569 -5.952 66 HG SER 9 HG SER 9 8.724 -1.382 -5.714 67 H PHE 10 H PHE 10 8.658 2.412 -2.490 68 HA PHE 10 HA PHE 10 8.625 1.083 -0.019 69 HB2 PHE 10 HB2 PHE 10 6.659 3.104 -1.121 70 HB3 PHE 10 HB3 PHE 10 6.790 2.632 0.568 71 HD1 PHE 10 HD1 PHE 10 9.250 2.872 1.553 72 HD2 PHE 10 HD2 PHE 10 7.712 5.031 -1.778 73 HE1 PHE 10 HE1 PHE 10 10.937 4.624 1.915 74 HE2 PHE 10 HE2 PHE 10 9.400 6.786 -1.425 75 HZ PHE 10 HZ PHE 10 11.014 6.583 0.424 76 H HIS 11 H HIS 11 6.712 0.753 -2.879 77 HA HIS 11 HA HIS 11 4.443 -0.529 -1.776 78 HB2 HIS 11 HB2 HIS 11 5.631 -0.749 -4.557 79 HB3 HIS 11 HB3 HIS 11 4.045 -1.347 -4.094 80 HD1 HIS 11 HD1 HIS 11 3.188 0.270 -6.046 81 HD2 HIS 11 HD2 HIS 11 4.791 2.156 -2.689 82 HE1 HIS 11 HE1 HIS 11 2.469 2.674 -6.199 83 HE2 HIS 11 HE2 HIS 11 3.581 3.821 -4.254 84 H ASP 12 H ASP 12 7.511 -1.689 -3.047 85 HA ASP 12 HA ASP 12 6.879 -4.473 -2.713 86 HB2 ASP 12 HB2 ASP 12 8.464 -3.503 -4.429 87 HB3 ASP 12 HB3 ASP 12 9.587 -3.190 -3.118 88 H PHE 13 H PHE 13 8.622 -1.990 -0.971 89 HA PHE 13 HA PHE 13 9.800 -3.570 1.027 90 HB2 PHE 13 HB2 PHE 13 10.359 -1.183 0.563 91 HB3 PHE 13 HB3 PHE 13 8.820 -0.715 1.278 92 HD1 PHE 13 HD2 PHE 13 12.108 -2.231 1.983 93 HD2 PHE 13 HD1 PHE 13 8.558 -0.557 3.622 94 HE1 PHE 13 HE2 PHE 13 13.169 -2.163 4.201 95 HE2 PHE 13 HE1 PHE 13 9.613 -0.487 5.843 96 HZ PHE 13 HZ PHE 13 11.924 -1.292 6.135 97 H VAL 14 H VAL 14 6.609 -2.074 0.808 98 HA VAL 14 HA VAL 14 5.660 -2.506 3.375 99 HB VAL 14 HB VAL 14 4.231 -2.481 0.721 100 HG11 VAL 14 HG11 VAL 14 2.916 -3.910 2.188 101 HG12 VAL 14 HG12 VAL 14 2.113 -2.354 1.972 102 HG13 VAL 14 HG13 VAL 14 2.987 -2.694 3.465 103 HG21 VAL 14 HG21 VAL 14 3.408 -0.329 1.527 104 HG22 VAL 14 HG22 VAL 14 5.172 -0.374 1.529 105 HG23 VAL 14 HG23 VAL 14 4.282 -0.553 3.042 106 H ALA 15 H ALA 15 5.800 -4.759 0.655 107 HA ALA 15 HA ALA 15 4.212 -6.794 1.726 108 HB1 ALA 15 HB1 ALA 15 5.336 -8.280 0.139 109 HB2 ALA 15 HB2 ALA 15 6.554 -7.041 -0.158 110 HB3 ALA 15 HB3 ALA 15 4.875 -6.754 -0.613 111 H SER 16 H SER 16 7.602 -6.016 2.219 112 HA SER 16 HA SER 16 8.264 -8.460 3.526 113 HB2 SER 16 HB2 SER 16 9.909 -6.889 2.412 114 HB3 SER 16 HB3 SER 16 9.707 -5.815 3.796 115 HG SER 16 HG SER 16 10.830 -7.150 5.017 116 H TYR 17 H TYR 17 7.273 -5.240 4.638 117 HA TYR 17 HA TYR 17 7.558 -5.893 7.406 118 HB2 TYR 17 HB2 TYR 17 7.573 -3.549 6.447 119 HB3 TYR 17 HB3 TYR 17 5.830 -3.700 6.253 120 HD1 TYR 17 HD1 TYR 17 8.558 -3.693 8.758 121 HD2 TYR 17 HD2 TYR 17 4.368 -3.356 8.096 122 HE1 TYR 17 HE1 TYR 17 8.252 -2.976 11.091 123 HE2 TYR 17 HE2 TYR 17 4.053 -2.635 10.426 124 HH TYR 17 HH TYR 17 6.598 -1.660 12.413 125 H MET 18 H MET 18 4.901 -5.816 5.105 126 HA MET 18 HA MET 18 2.745 -6.497 6.700 127 HB2 MET 18 HB2 MET 18 2.509 -5.963 4.335 128 HB3 MET 18 HB3 MET 18 3.423 -7.394 3.886 129 HG2 MET 18 HG2 MET 18 1.136 -7.854 3.486 130 HG3 MET 18 HG3 MET 18 1.614 -8.774 4.910 131 HE1 MET 18 HE1 MET 18 0.875 -4.918 4.712 132 HE2 MET 18 HE2 MET 18 -0.850 -4.879 5.079 133 HE3 MET 18 HE3 MET 18 -0.284 -5.618 3.580 134 H LYS 19 H LYS 19 5.056 -8.615 5.078 135 HA LYS 19 HA LYS 19 4.089 -11.100 5.735 136 HB2 LYS 19 HB2 LYS 19 5.977 -10.664 4.221 137 HB3 LYS 19 HB3 LYS 19 6.979 -10.228 5.598 138 HG2 LYS 19 HG2 LYS 19 6.714 -12.522 6.471 139 HG3 LYS 19 HG3 LYS 19 5.809 -12.938 5.012 140 HD2 LYS 19 HD2 LYS 19 7.779 -12.231 3.670 141 HD3 LYS 19 HD3 LYS 19 8.673 -12.015 5.173 142 HE2 LYS 19 HE2 LYS 19 8.382 -14.358 5.716 143 HE3 LYS 19 HE3 LYS 19 7.403 -14.595 4.270 144 HZ1 LYS 19 HZ1 LYS 19 10.288 -13.895 4.372 145 HZ2 LYS 19 HZ2 LYS 19 9.369 -13.942 2.947 146 HZ3 LYS 19 HZ3 LYS 19 9.605 -15.357 3.849 147 H THR 20 H THR 20 5.951 -8.905 7.727 148 HA THR 20 HA THR 20 6.823 -10.593 9.738 149 HB THR 20 HB THR 20 5.926 -7.719 10.033 150 HG1 THR 20 HG1 THR 20 7.572 -8.073 8.424 151 HG21 THR 20 HG21 THR 20 7.779 -9.401 11.727 152 HG22 THR 20 HG22 THR 20 6.190 -8.798 12.200 153 HG23 THR 20 HG23 THR 20 7.516 -7.668 11.921 154 H TYR 21 H TYR 21 3.755 -8.710 9.708 155 HA TYR 21 HA TYR 21 2.877 -10.283 11.989 156 HB2 TYR 21 HB2 TYR 21 0.893 -8.704 11.915 157 HB3 TYR 21 HB3 TYR 21 2.443 -8.008 12.349 158 HD1 TYR 21 HD1 TYR 21 3.576 -6.480 10.829 159 HD2 TYR 21 HD2 TYR 21 -0.227 -8.118 9.855 160 HE1 TYR 21 HE1 TYR 21 3.291 -4.762 9.097 161 HE2 TYR 21 HE2 TYR 21 -0.519 -6.408 8.115 162 HH TYR 21 HH TYR 21 0.305 -4.190 7.558 163 H SER 22 H SER 22 2.633 -10.387 8.638 164 HA SER 22 HA SER 22 0.079 -11.630 8.417 165 HB2 SER 22 HB2 SER 22 2.507 -11.782 6.617 166 HB3 SER 22 HB3 SER 22 0.922 -12.446 6.214 167 HG SER 22 HG SER 22 1.494 -9.722 6.788 168 H ARG 23 H ARG 23 2.929 -12.615 9.834 169 HA ARG 23 HA ARG 23 3.097 -15.343 9.391 170 HB2 ARG 23 HB2 ARG 23 4.585 -13.758 10.781 171 HB3 ARG 23 HB3 ARG 23 3.472 -14.077 12.100 172 HG2 ARG 23 HG2 ARG 23 4.828 -16.321 10.652 173 HG3 ARG 23 HG3 ARG 23 5.641 -15.439 11.942 174 HD2 ARG 23 HD2 ARG 23 3.697 -15.985 13.424 175 HD3 ARG 23 HD3 ARG 23 3.082 -17.020 12.135 176 HE ARG 23 HE ARG 23 5.728 -17.756 12.643 177 HH11 ARG 23 HH11 ARG 23 2.584 -17.885 14.200 178 HH12 ARG 23 HH12 ARG 23 3.017 -19.223 15.218 179 HH21 ARG 23 HH21 ARG 23 6.298 -19.484 14.000 180 HH22 ARG 23 HH22 ARG 23 5.119 -20.147 15.099 181 H ARG 24 H ARG 24 0.747 -13.514 11.221 182 HA ARG 24 HA ARG 24 -0.324 -15.821 12.595 183 HB2 ARG 24 HB2 ARG 24 -1.320 -12.978 12.360 184 HB3 ARG 24 HB3 ARG 24 -2.138 -14.223 13.290 185 HG2 ARG 24 HG2 ARG 24 -0.937 -13.167 14.916 186 HG3 ARG 24 HG3 ARG 24 0.175 -14.460 14.473 187 HD2 ARG 24 HD2 ARG 24 1.346 -12.877 12.972 188 HD3 ARG 24 HD3 ARG 24 0.270 -11.598 13.530 189 HE ARG 24 HE ARG 24 2.485 -12.793 14.975 190 HH11 ARG 24 HH11 ARG 24 -0.401 -10.796 15.168 191 HH12 ARG 24 HH12 ARG 24 0.080 -10.025 16.645 192 HH21 ARG 24 HH21 ARG 24 3.127 -11.738 16.898 193 HH22 ARG 24 HH22 ARG 24 2.081 -10.549 17.617 194 H LEU 25 H LEU 25 -0.621 -14.511 9.523 195 HA LEU 25 HA LEU 25 -3.330 -15.464 9.079 196 HB2 LEU 25 HB2 LEU 25 -1.387 -13.819 7.495 197 HB3 LEU 25 HB3 LEU 25 -2.702 -14.631 6.677 198 HG LEU 25 HG LEU 25 -4.324 -13.389 8.038 199 HD11 LEU 25 HD11 LEU 25 -3.018 -13.056 10.049 200 HD12 LEU 25 HD12 LEU 25 -3.563 -11.503 9.415 201 HD13 LEU 25 HD13 LEU 25 -1.894 -12.019 9.172 202 HD21 LEU 25 HD21 LEU 25 -3.940 -11.185 7.045 203 HD22 LEU 25 HD22 LEU 25 -3.645 -12.487 5.893 204 HD23 LEU 25 HD23 LEU 25 -2.287 -11.658 6.654 205 H GLU 26 H GLU 26 -3.794 -17.009 7.499 206 HA GLU 26 HA GLU 26 -1.952 -19.133 7.181 207 HB2 GLU 26 HB2 GLU 26 -4.634 -18.887 7.069 208 HB3 GLU 26 HB3 GLU 26 -4.273 -18.871 5.355 209 HG2 GLU 26 HG2 GLU 26 -3.398 -21.018 7.263 210 HG3 GLU 26 HG3 GLU 26 -4.839 -21.078 6.258 211 H ILE 27 H ILE 27 -1.094 -19.893 5.160 212 HA ILE 27 HA ILE 27 0.221 -17.935 3.629 213 HB ILE 27 HB ILE 27 -0.340 -20.809 2.859 214 HG12 ILE 27 HG12 ILE 27 2.036 -19.613 4.307 215 HG13 ILE 27 HG13 ILE 27 0.777 -20.589 5.057 216 HG21 ILE 27 HG21 ILE 27 0.397 -19.502 0.957 217 HG22 ILE 27 HG22 ILE 27 1.698 -20.575 1.476 218 HG23 ILE 27 HG23 ILE 27 1.750 -18.860 1.886 219 HD11 ILE 27 HD11 ILE 27 2.701 -21.501 2.933 220 HD12 ILE 27 HD12 ILE 27 1.426 -22.484 3.654 221 HD13 ILE 27 HD13 ILE 27 2.762 -21.905 4.650 222 H GLY 28 H GLY 28 -2.782 -19.689 3.173 223 HA2 GLY 28 HA2 GLY 28 -3.352 -19.029 0.527 224 HA3 GLY 28 HA3 GLY 28 -4.554 -19.352 1.767 225 H THR 29 H THR 29 -3.853 -17.121 3.471 226 HA THR 29 HA THR 29 -5.319 -15.076 2.077 227 HB THR 29 HB THR 29 -4.032 -14.915 4.810 228 HG1 THR 29 HG1 THR 29 -6.718 -15.662 4.175 229 HG21 THR 29 HG21 THR 29 -6.360 -13.412 3.604 230 HG22 THR 29 HG22 THR 29 -4.743 -12.761 3.872 231 HG23 THR 29 HG23 THR 29 -5.746 -13.226 5.246 232 H PHE 30 H PHE 30 -2.068 -15.450 3.406 233 HA PHE 30 HA PHE 30 -1.091 -12.895 2.918 234 HB2 PHE 30 HB2 PHE 30 0.050 -14.477 4.357 235 HB3 PHE 30 HB3 PHE 30 0.368 -15.540 2.994 236 HD1 PHE 30 HD1 PHE 30 0.871 -11.902 3.697 237 HD2 PHE 30 HD2 PHE 30 2.570 -15.582 2.403 238 HE1 PHE 30 HE1 PHE 30 3.032 -10.778 3.341 239 HE2 PHE 30 HE2 PHE 30 4.730 -14.466 2.044 240 HZ PHE 30 HZ PHE 30 4.965 -12.059 2.514 241 H ARG 31 H ARG 31 -1.036 -15.737 0.783 242 HA ARG 31 HA ARG 31 0.668 -14.675 -1.176 243 HB2 ARG 31 HB2 ARG 31 -0.268 -16.413 -2.673 244 HB3 ARG 31 HB3 ARG 31 0.213 -17.042 -1.105 245 HG2 ARG 31 HG2 ARG 31 -2.130 -17.013 -0.386 246 HG3 ARG 31 HG3 ARG 31 -2.599 -16.410 -1.977 247 HD2 ARG 31 HD2 ARG 31 -1.077 -18.971 -1.613 248 HD3 ARG 31 HD3 ARG 31 -2.836 -18.914 -1.557 249 HE ARG 31 HE ARG 31 -1.501 -17.805 -3.912 250 HH11 ARG 31 HH11 ARG 31 -3.377 -20.386 -2.464 251 HH12 ARG 31 HH12 ARG 31 -3.840 -21.081 -3.995 252 HH21 ARG 31 HH21 ARG 31 -2.091 -18.723 -5.920 253 HH22 ARG 31 HH22 ARG 31 -3.103 -20.135 -5.953 254 H HIS 32 H HIS 32 -2.615 -13.905 -0.505 255 HA HIS 32 HA HIS 32 -3.648 -13.327 -3.024 256 HB2 HIS 32 HB2 HIS 32 -4.215 -12.286 -0.288 257 HB3 HIS 32 HB3 HIS 32 -4.897 -11.425 -1.663 258 HD1 HIS 32 HD1 HIS 32 -6.677 -12.702 -3.092 259 HD2 HIS 32 HD2 HIS 32 -5.427 -14.690 0.338 260 HE1 HIS 32 HE1 HIS 32 -8.375 -14.517 -2.703 261 HE2 HIS 32 HE2 HIS 32 -7.745 -15.506 -0.470 262 H HIS 33 H HIS 33 -1.844 -11.149 -0.847 263 HA HIS 33 HA HIS 33 -1.699 -9.228 -3.083 264 HB2 HIS 33 HB2 HIS 33 -2.892 -8.463 -1.020 265 HB3 HIS 33 HB3 HIS 33 -1.389 -8.646 -0.128 266 HD1 HIS 33 HD1 HIS 33 -2.701 -6.674 -3.111 267 HD2 HIS 33 HD2 HIS 33 0.113 -6.385 -0.065 268 HE1 HIS 33 HE1 HIS 33 -1.736 -4.364 -3.301 269 HE2 HIS 33 HE2 HIS 33 -0.215 -4.137 -1.309 270 H LYS 34 H LYS 34 0.076 -11.530 -1.634 271 HA LYS 34 HA LYS 34 2.554 -10.265 -1.121 272 HB2 LYS 34 HB2 LYS 34 1.984 -12.483 -0.237 273 HB3 LYS 34 HB3 LYS 34 1.962 -13.134 -1.870 274 HG2 LYS 34 HG2 LYS 34 4.400 -12.291 -1.990 275 HG3 LYS 34 HG3 LYS 34 4.289 -12.235 -0.230 276 HD2 LYS 34 HD2 LYS 34 3.754 -14.592 -0.151 277 HD3 LYS 34 HD3 LYS 34 3.718 -14.672 -1.915 278 HE2 LYS 34 HE2 LYS 34 6.112 -13.888 -1.874 279 HE3 LYS 34 HE3 LYS 34 6.082 -14.156 -0.135 280 HZ1 LYS 34 HZ1 LYS 34 5.682 -16.466 -0.470 281 HZ2 LYS 34 HZ2 LYS 34 7.003 -16.026 -1.445 282 HZ3 LYS 34 HZ3 LYS 34 5.476 -16.251 -2.143 283 H SER 35 H SER 35 1.361 -12.080 -3.931 284 HA SER 35 HA SER 35 3.850 -11.652 -5.339 285 HB2 SER 35 HB2 SER 35 2.289 -12.986 -7.099 286 HB3 SER 35 HB3 SER 35 3.209 -13.775 -5.814 287 HG SER 35 HG SER 35 0.471 -13.403 -6.072 288 H CYS 36 H CYS 36 1.674 -9.484 -4.851 289 HA CYS 36 HA CYS 36 0.785 -8.827 -7.504 290 HB2 CYS 36 HB2 CYS 36 0.735 -7.164 -4.977 291 HB3 CYS 36 HB3 CYS 36 -0.113 -6.784 -6.472 292 HG CYS 36 HG CYS 36 -1.246 -9.643 -6.000 293 H MET 37 H MET 37 2.814 -6.988 -5.206 294 HA MET 37 HA MET 37 3.692 -5.161 -7.168 295 HB2 MET 37 HB2 MET 37 4.854 -5.789 -4.449 296 HB3 MET 37 HB3 MET 37 5.336 -4.427 -5.449 297 HG2 MET 37 HG2 MET 37 3.841 -3.530 -3.906 298 HG3 MET 37 HG3 MET 37 2.902 -3.709 -5.385 299 HE1 MET 37 HE1 MET 37 2.540 -6.382 -1.647 300 HE2 MET 37 HE2 MET 37 3.502 -4.905 -1.741 301 HE3 MET 37 HE3 MET 37 3.994 -6.340 -2.642 302 H ARG 38 H ARG 38 4.963 -8.206 -6.066 303 HA ARG 38 HA ARG 38 7.597 -7.904 -7.049 304 HB2 ARG 38 HB2 ARG 38 5.914 -10.205 -6.155 305 HB3 ARG 38 HB3 ARG 38 7.447 -10.509 -6.950 306 HG2 ARG 38 HG2 ARG 38 7.211 -8.726 -4.552 307 HG3 ARG 38 HG3 ARG 38 7.452 -10.469 -4.422 308 HD2 ARG 38 HD2 ARG 38 9.627 -9.807 -4.382 309 HD3 ARG 38 HD3 ARG 38 9.412 -9.945 -6.124 310 HE ARG 38 HE ARG 38 9.297 -7.394 -4.631 311 HH11 ARG 38 HH11 ARG 38 9.966 -9.194 -7.579 312 HH12 ARG 38 HH12 ARG 38 10.782 -7.864 -8.340 313 HH21 ARG 38 HH21 ARG 38 10.428 -5.689 -5.619 314 HH22 ARG 38 HH22 ARG 38 11.032 -5.877 -7.247 315 H LYS 39 H LYS 39 4.610 -9.123 -8.510 316 HA LYS 39 HA LYS 39 5.915 -10.273 -10.765 317 HB2 LYS 39 HB2 LYS 39 3.735 -11.041 -9.913 318 HB3 LYS 39 HB3 LYS 39 3.032 -9.485 -10.331 319 HG2 LYS 39 HG2 LYS 39 4.082 -10.182 -12.702 320 HG3 LYS 39 HG3 LYS 39 3.712 -11.773 -12.032 321 HD2 LYS 39 HD2 LYS 39 1.808 -11.038 -13.227 322 HD3 LYS 39 HD3 LYS 39 1.418 -10.928 -11.521 323 HE2 LYS 39 HE2 LYS 39 1.795 -8.546 -11.544 324 HE3 LYS 39 HE3 LYS 39 2.362 -8.615 -13.212 325 HZ1 LYS 39 HZ1 LYS 39 0.075 -7.820 -13.042 326 HZ2 LYS 39 HZ2 LYS 39 -0.391 -9.277 -12.311 327 HZ3 LYS 39 HZ3 LYS 39 0.161 -9.272 -13.911 328 H PHE 40 H PHE 40 4.059 -7.309 -10.174 329 HA PHE 40 HA PHE 40 4.224 -6.403 -12.873 330 HB2 PHE 40 HB2 PHE 40 2.391 -5.751 -11.353 331 HB3 PHE 40 HB3 PHE 40 3.537 -4.862 -10.358 332 HD1 PHE 40 HD2 PHE 40 2.171 -5.030 -13.812 333 HD2 PHE 40 HD1 PHE 40 3.970 -2.626 -10.796 334 HE1 PHE 40 HE2 PHE 40 1.824 -3.031 -15.203 335 HE2 PHE 40 HE1 PHE 40 3.624 -0.623 -12.181 336 HZ PHE 40 HZ PHE 40 2.550 -0.822 -14.386 337 H LYS 41 H LYS 41 6.304 -6.280 -10.200 338 HA LYS 41 HA LYS 41 8.304 -5.336 -9.757 339 HB2 LYS 41 HB2 LYS 41 8.269 -4.479 -12.654 340 HB3 LYS 41 HB3 LYS 41 9.653 -4.353 -11.580 341 HG2 LYS 41 HG2 LYS 41 9.604 -6.829 -11.339 342 HG3 LYS 41 HG3 LYS 41 8.334 -6.873 -12.566 343 HD2 LYS 41 HD2 LYS 41 9.891 -5.662 -14.104 344 HD3 LYS 41 HD3 LYS 41 11.155 -5.852 -12.888 345 HE2 LYS 41 HE2 LYS 41 11.361 -7.578 -14.568 346 HE3 LYS 41 HE3 LYS 41 10.888 -8.294 -13.029 347 HZ1 LYS 41 HZ1 LYS 41 9.687 -8.895 -15.282 348 HZ2 LYS 41 HZ2 LYS 41 8.748 -7.544 -14.874 349 HZ3 LYS 41 HZ3 LYS 41 8.849 -8.861 -13.810 350 H GLU 42 H GLU 42 6.843 -3.995 -8.466 351 HA GLU 42 HA GLU 42 6.216 -1.344 -9.291 352 HB2 GLU 42 HB2 GLU 42 6.323 -2.714 -6.610 353 HB3 GLU 42 HB3 GLU 42 5.899 -1.016 -6.776 354 HG2 GLU 42 HG2 GLU 42 4.436 -3.138 -8.295 355 HG3 GLU 42 HG3 GLU 42 4.016 -2.742 -6.628 356 H TYR 43 H TYR 43 7.566 0.309 -9.492 357 HA TYR 43 HA TYR 43 9.988 0.350 -7.822 358 HB2 TYR 43 HB2 TYR 43 9.711 1.120 -10.727 359 HB3 TYR 43 HB3 TYR 43 11.094 1.574 -9.735 360 HD1 TYR 43 HD2 TYR 43 12.219 -0.467 -8.457 361 HD2 TYR 43 HD1 TYR 43 9.877 -0.808 -11.995 362 HE1 TYR 43 HE2 TYR 43 13.294 -2.617 -8.958 363 HE2 TYR 43 HE1 TYR 43 10.947 -2.966 -12.501 364 HH TYR 43 HH TYR 43 13.066 -4.140 -11.959 365 H CYS 44 H CYS 44 10.438 2.188 -6.797 366 HA CYS 44 HA CYS 44 9.071 4.649 -7.566 367 HB2 CYS 44 HB2 CYS 44 9.054 3.584 -4.726 368 HB3 CYS 44 HB3 CYS 44 8.388 5.122 -5.261 369 HG CYS 44 HG CYS 44 6.750 3.335 -7.146 370 H GLU 45 H GLU 45 11.016 5.513 -8.219 371 HA GLU 45 HA GLU 45 13.264 5.470 -6.353 372 HB2 GLU 45 HB2 GLU 45 13.140 5.333 -9.094 373 HB3 GLU 45 HB3 GLU 45 13.559 7.022 -8.831 374 HG2 GLU 45 HG2 GLU 45 15.057 4.632 -7.779 375 HG3 GLU 45 HG3 GLU 45 15.544 5.663 -9.123 376 H GLY 46 H GLY 46 11.203 6.787 -5.299 377 HA2 GLY 46 HA2 GLY 46 12.200 9.288 -4.614 378 HA3 GLY 46 HA3 GLY 46 10.994 9.530 -5.875 379 H LEU 47 H LEU 47 9.154 10.111 -5.039 380 HA LEU 47 HA LEU 47 7.324 10.287 -3.735 381 HB2 LEU 47 HB2 LEU 47 7.265 7.779 -4.081 382 HB3 LEU 47 HB3 LEU 47 8.055 7.621 -2.526 383 HG LEU 47 HG LEU 47 5.533 7.300 -2.581 384 HD11 LEU 47 HD11 LEU 47 5.166 8.440 -0.456 385 HD12 LEU 47 HD12 LEU 47 6.658 9.349 -0.697 386 HD13 LEU 47 HD13 LEU 47 6.714 7.598 -0.494 387 HD21 LEU 47 HD21 LEU 47 5.586 10.294 -2.842 388 HD22 LEU 47 HD22 LEU 47 4.161 9.314 -2.491 389 HD23 LEU 47 HD23 LEU 47 4.981 9.157 -4.045 390 H GLN 48 H GLN 48 7.161 11.639 -2.138 391 HA GLN 48 HA GLN 48 9.231 11.601 -0.058 392 HB2 GLN 48 HB2 GLN 48 7.660 13.951 -1.118 393 HB3 GLN 48 HB3 GLN 48 8.949 14.009 0.065 394 HG2 GLN 48 HG2 GLN 48 9.274 13.129 -2.791 395 HG3 GLN 48 HG3 GLN 48 9.674 14.730 -2.175 396 HE21 GLN 48 HE21 GLN 48 10.589 11.380 -2.274 397 HE22 GLN 48 HE22 GLN 48 12.181 11.588 -1.634 398 H PHE 49 H PHE 49 8.470 12.736 1.999 399 HA PHE 49 HA PHE 49 6.314 11.256 3.030 400 HB2 PHE 49 HB2 PHE 49 6.633 12.502 5.095 401 HB3 PHE 49 HB3 PHE 49 8.183 12.038 4.417 402 HD1 PHE 49 HD1 PHE 49 9.617 13.747 3.326 403 HD2 PHE 49 HD2 PHE 49 6.061 14.778 5.432 404 HE1 PHE 49 HE1 PHE 49 10.382 16.080 3.475 405 HE2 PHE 49 HE2 PHE 49 6.822 17.115 5.578 406 HZ PHE 49 HZ PHE 49 8.985 17.765 4.599 407 H HIS 50 H HIS 50 6.542 14.581 1.907 408 HA HIS 50 HA HIS 50 3.728 15.040 2.522 409 HB2 HIS 50 HB2 HIS 50 5.422 16.815 2.984 410 HB3 HIS 50 HB3 HIS 50 5.729 16.931 1.255 411 HD1 HIS 50 HD1 HIS 50 4.652 18.984 0.383 412 HD2 HIS 50 HD2 HIS 50 2.313 17.115 3.274 413 HE1 HIS 50 HE1 HIS 50 2.551 20.349 0.548 414 HE2 HIS 50 HE2 HIS 50 1.062 19.063 2.115 415 H GLU 51 H GLU 51 5.182 13.404 0.192 416 HA GLU 51 HA GLU 51 3.660 14.520 -2.039 417 HB2 GLU 51 HB2 GLU 51 6.125 13.521 -2.070 418 HB3 GLU 51 HB3 GLU 51 5.246 12.022 -2.336 419 HG2 GLU 51 HG2 GLU 51 4.204 12.923 -4.304 420 HG3 GLU 51 HG3 GLU 51 4.931 14.502 -4.010 421 H LEU 52 H LEU 52 3.691 11.851 0.182 422 HA LEU 52 HA LEU 52 1.662 10.361 -1.211 423 HB2 LEU 52 HB2 LEU 52 3.484 9.529 0.474 424 HB3 LEU 52 HB3 LEU 52 2.328 10.020 1.693 425 HG LEU 52 HG LEU 52 2.254 7.600 1.168 426 HD11 LEU 52 HD11 LEU 52 -0.247 9.135 0.500 427 HD12 LEU 52 HD12 LEU 52 0.287 8.636 2.106 428 HD13 LEU 52 HD13 LEU 52 -0.182 7.423 0.914 429 HD21 LEU 52 HD21 LEU 52 1.255 6.873 -0.954 430 HD22 LEU 52 HD22 LEU 52 2.801 7.690 -1.188 431 HD23 LEU 52 HD23 LEU 52 1.295 8.540 -1.529 432 H THR 53 H THR 53 0.068 11.932 -1.499 433 HA THR 53 HA THR 53 -1.411 12.672 0.938 434 HB THR 53 HB THR 53 -2.016 14.807 -0.276 435 HG1 THR 53 HG1 THR 53 0.216 14.885 -1.797 436 HG21 THR 53 HG21 THR 53 -0.383 14.808 1.541 437 HG22 THR 53 HG22 THR 53 0.098 15.944 0.279 438 HG23 THR 53 HG23 THR 53 0.896 14.376 0.408 439 H GLU 54 H GLU 54 -3.609 13.793 -0.006 440 HA GLU 54 HA GLU 54 -5.204 11.666 -0.862 441 HB2 GLU 54 HB2 GLU 54 -6.045 13.620 0.372 442 HB3 GLU 54 HB3 GLU 54 -5.732 14.641 -1.019 443 HG2 GLU 54 HG2 GLU 54 -7.539 12.316 -1.377 444 HG3 GLU 54 HG3 GLU 54 -8.135 13.700 -0.465 445 H ASP 55 H ASP 55 -3.716 14.313 -2.648 446 HA ASP 55 HA ASP 55 -4.929 13.883 -5.141 447 HB2 ASP 55 HB2 ASP 55 -3.631 15.904 -4.588 448 HB3 ASP 55 HB3 ASP 55 -2.155 14.943 -4.559 449 H PHE 56 H PHE 56 -1.936 12.558 -3.768 450 HA PHE 56 HA PHE 56 -1.136 11.143 -6.074 451 HB2 PHE 56 HB2 PHE 56 0.347 11.670 -4.128 452 HB3 PHE 56 HB3 PHE 56 -0.514 10.451 -3.195 453 HD1 PHE 56 HD1 PHE 56 1.820 11.032 -5.959 454 HD2 PHE 56 HD2 PHE 56 -0.140 8.103 -3.571 455 HE1 PHE 56 HE1 PHE 56 3.352 9.307 -6.819 456 HE2 PHE 56 HE2 PHE 56 1.388 6.377 -4.426 457 HZ PHE 56 HZ PHE 56 3.136 6.977 -6.053 458 H LEU 57 H LEU 57 -2.977 10.150 -3.201 459 HA LEU 57 HA LEU 57 -3.364 7.472 -3.910 460 HB2 LEU 57 HB2 LEU 57 -4.809 9.410 -2.156 461 HB3 LEU 57 HB3 LEU 57 -5.557 7.864 -2.502 462 HG LEU 57 HG LEU 57 -4.319 7.922 -0.359 463 HD11 LEU 57 HD11 LEU 57 -3.272 6.020 -2.448 464 HD12 LEU 57 HD12 LEU 57 -4.707 5.805 -1.443 465 HD13 LEU 57 HD13 LEU 57 -3.106 5.806 -0.705 466 HD21 LEU 57 HD21 LEU 57 -1.882 8.185 -2.108 467 HD22 LEU 57 HD22 LEU 57 -1.880 7.863 -0.374 468 HD23 LEU 57 HD23 LEU 57 -2.495 9.399 -0.984 469 H ARG 58 H ARG 58 -5.331 10.345 -4.593 470 HA ARG 58 HA ARG 58 -7.455 9.027 -5.862 471 HB2 ARG 58 HB2 ARG 58 -7.694 11.298 -5.112 472 HB3 ARG 58 HB3 ARG 58 -6.388 11.837 -6.153 473 HG2 ARG 58 HG2 ARG 58 -8.683 10.567 -7.500 474 HG3 ARG 58 HG3 ARG 58 -8.980 12.133 -6.743 475 HD2 ARG 58 HD2 ARG 58 -7.089 13.081 -7.985 476 HD3 ARG 58 HD3 ARG 58 -6.814 11.520 -8.754 477 HE ARG 58 HE ARG 58 -9.392 12.064 -9.375 478 HH11 ARG 58 HH11 ARG 58 -6.445 13.936 -9.660 479 HH12 ARG 58 HH12 ARG 58 -6.975 14.765 -11.096 480 HH21 ARG 58 HH21 ARG 58 -10.085 13.171 -11.254 481 HH22 ARG 58 HH22 ARG 58 -9.024 14.333 -12.002 482 H ASP 59 H ASP 59 -4.524 10.495 -7.227 483 HA ASP 59 HA ASP 59 -5.199 9.970 -9.928 484 HB2 ASP 59 HB2 ASP 59 -3.569 11.688 -9.266 485 HB3 ASP 59 HB3 ASP 59 -2.475 10.435 -8.692 486 H TYR 60 H TYR 60 -3.220 8.220 -7.575 487 HA TYR 60 HA TYR 60 -2.292 6.263 -9.421 488 HB2 TYR 60 HB2 TYR 60 -1.428 6.981 -7.016 489 HB3 TYR 60 HB3 TYR 60 -2.472 5.661 -6.499 490 HD1 TYR 60 HD2 TYR 60 0.471 6.527 -8.544 491 HD2 TYR 60 HD1 TYR 60 -1.829 3.378 -6.846 492 HE1 TYR 60 HE2 TYR 60 2.265 4.939 -9.089 493 HE2 TYR 60 HE1 TYR 60 -0.039 1.774 -7.383 494 HH TYR 60 HH TYR 60 1.869 1.534 -8.877 495 H LEU 61 H LEU 61 -5.026 6.482 -7.238 496 HA LEU 61 HA LEU 61 -6.017 3.875 -7.417 497 HB2 LEU 61 HB2 LEU 61 -6.922 5.462 -5.851 498 HB3 LEU 61 HB3 LEU 61 -7.434 6.524 -7.144 499 HG LEU 61 HG LEU 61 -9.050 4.780 -7.876 500 HD11 LEU 61 HD11 LEU 61 -8.220 3.420 -5.314 501 HD12 LEU 61 HD12 LEU 61 -7.950 2.821 -6.951 502 HD13 LEU 61 HD13 LEU 61 -9.593 2.964 -6.324 503 HD21 LEU 61 HD21 LEU 61 -9.319 5.733 -5.027 504 HD22 LEU 61 HD22 LEU 61 -10.638 5.162 -6.050 505 HD23 LEU 61 HD23 LEU 61 -9.764 6.632 -6.478 506 H ILE 62 H ILE 62 -6.743 6.721 -9.404 507 HA ILE 62 HA ILE 62 -8.426 5.463 -11.261 508 HB ILE 62 HB ILE 62 -6.567 7.801 -11.742 509 HG12 ILE 62 HG12 ILE 62 -9.492 7.743 -10.960 510 HG13 ILE 62 HG13 ILE 62 -8.162 8.150 -9.880 511 HG21 ILE 62 HG21 ILE 62 -8.050 8.361 -13.592 512 HG22 ILE 62 HG22 ILE 62 -9.007 6.915 -13.275 513 HG23 ILE 62 HG23 ILE 62 -7.336 6.764 -13.819 514 HD11 ILE 62 HD11 ILE 62 -9.281 10.147 -10.651 515 HD12 ILE 62 HD12 ILE 62 -9.001 9.683 -12.330 516 HD13 ILE 62 HD13 ILE 62 -7.636 10.086 -11.286 517 H TYR 63 H TYR 63 -4.906 5.934 -11.302 518 HA TYR 63 HA TYR 63 -4.379 4.773 -13.800 519 HB2 TYR 63 HB2 TYR 63 -2.775 6.109 -12.412 520 HB3 TYR 63 HB3 TYR 63 -2.605 4.720 -11.348 521 HD1 TYR 63 HD2 TYR 63 -1.939 5.989 -14.753 522 HD2 TYR 63 HD1 TYR 63 -1.181 2.889 -11.931 523 HE1 TYR 63 HE2 TYR 63 -0.112 5.152 -16.168 524 HE2 TYR 63 HE1 TYR 63 0.648 2.049 -13.344 525 HH TYR 63 HH TYR 63 1.300 2.131 -15.747 526 H MET 64 H MET 64 -4.768 3.373 -10.610 527 HA MET 64 HA MET 64 -3.957 0.732 -11.197 528 HB2 MET 64 HB2 MET 64 -4.272 1.768 -8.921 529 HB3 MET 64 HB3 MET 64 -6.006 1.610 -9.160 530 HG2 MET 64 HG2 MET 64 -5.742 -0.330 -8.093 531 HG3 MET 64 HG3 MET 64 -5.197 -0.920 -9.662 532 HE1 MET 64 HE1 MET 64 -2.270 0.579 -6.425 533 HE2 MET 64 HE2 MET 64 -4.019 0.581 -6.201 534 HE3 MET 64 HE3 MET 64 -3.285 1.631 -7.412 535 H LYS 65 H LYS 65 -7.063 2.378 -11.371 536 HA LYS 65 HA LYS 65 -8.505 -0.035 -12.020 537 HB2 LYS 65 HB2 LYS 65 -9.237 2.233 -10.796 538 HB3 LYS 65 HB3 LYS 65 -9.718 2.650 -12.433 539 HG2 LYS 65 HG2 LYS 65 -10.608 0.108 -11.109 540 HG3 LYS 65 HG3 LYS 65 -11.478 1.629 -10.914 541 HD2 LYS 65 HD2 LYS 65 -11.857 1.759 -13.297 542 HD3 LYS 65 HD3 LYS 65 -10.874 0.316 -13.561 543 HE2 LYS 65 HE2 LYS 65 -12.458 -1.038 -12.342 544 HE3 LYS 65 HE3 LYS 65 -13.397 0.391 -11.914 545 HZ1 LYS 65 HZ1 LYS 65 -14.308 -0.943 -13.787 546 HZ2 LYS 65 HZ2 LYS 65 -12.958 -0.496 -14.712 547 HZ3 LYS 65 HZ3 LYS 65 -14.040 0.690 -14.158 548 H LYS 66 H LYS 66 -7.227 2.750 -13.745 549 HA LYS 66 HA LYS 66 -8.545 2.061 -16.217 550 HB2 LYS 66 HB2 LYS 66 -8.158 4.398 -15.710 551 HB3 LYS 66 HB3 LYS 66 -6.428 4.122 -15.573 552 HG2 LYS 66 HG2 LYS 66 -6.937 5.178 -17.683 553 HG3 LYS 66 HG3 LYS 66 -6.351 3.536 -17.959 554 HD2 LYS 66 HD2 LYS 66 -8.725 2.791 -18.127 555 HD3 LYS 66 HD3 LYS 66 -9.210 4.485 -18.027 556 HE2 LYS 66 HE2 LYS 66 -7.883 4.961 -20.044 557 HE3 LYS 66 HE3 LYS 66 -7.468 3.250 -20.154 558 HZ1 LYS 66 HZ1 LYS 66 -9.272 3.638 -21.613 559 HZ2 LYS 66 HZ2 LYS 66 -10.152 4.478 -20.431 560 HZ3 LYS 66 HZ3 LYS 66 -9.909 2.806 -20.278 561 H THR 67 H THR 67 -5.098 2.385 -15.336 562 HA THR 67 HA THR 67 -4.302 1.083 -17.762 563 HB THR 67 HB THR 67 -2.582 1.838 -15.393 564 HG1 THR 67 HG1 THR 67 -3.205 3.375 -17.724 565 HG21 THR 67 HG21 THR 67 -1.932 1.421 -18.315 566 HG22 THR 67 HG22 THR 67 -1.479 0.350 -16.990 567 HG23 THR 67 HG23 THR 67 -0.796 1.974 -17.084 568 H LEU 68 H LEU 68 -4.089 0.280 -14.299 569 HA LEU 68 HA LEU 68 -3.001 -2.320 -14.860 570 HB2 LEU 68 HB2 LEU 68 -4.103 -1.220 -12.272 571 HB3 LEU 68 HB3 LEU 68 -3.162 -2.689 -12.448 572 HG LEU 68 HG LEU 68 -2.180 0.121 -12.960 573 HD11 LEU 68 HD11 LEU 68 -2.441 -0.407 -10.595 574 HD12 LEU 68 HD12 LEU 68 -0.736 -0.299 -11.036 575 HD13 LEU 68 HD13 LEU 68 -1.492 -1.877 -10.812 576 HD21 LEU 68 HD21 LEU 68 -0.726 -2.515 -13.160 577 HD22 LEU 68 HD22 LEU 68 0.008 -0.917 -13.307 578 HD23 LEU 68 HD23 LEU 68 -1.163 -1.465 -14.508 579 H CYS 69 H CYS 69 -6.116 -0.941 -14.543 580 HA CYS 69 HA CYS 69 -8.194 -1.740 -14.927 581 HB2 CYS 69 HB2 CYS 69 -6.761 -4.183 -15.981 582 HB3 CYS 69 HB3 CYS 69 -8.438 -3.750 -16.292 583 HG CYS 69 HG CYS 69 -6.854 -1.146 -17.229 584 H ASN 70 H ASN 70 -6.932 -2.263 -12.324 585 HA ASN 70 HA ASN 70 -8.249 -4.765 -11.553 586 HB2 ASN 70 HB2 ASN 70 -6.387 -2.915 -10.066 587 HB3 ASN 70 HB3 ASN 70 -7.342 -4.124 -9.222 588 HD21 ASN 70 HD21 ASN 70 -5.953 -4.557 -12.424 589 HD22 ASN 70 HD22 ASN 70 -4.818 -5.775 -11.962 590 H ALA 71 H ALA 71 -9.800 -4.810 -9.838 591 HA ALA 71 HA ALA 71 -11.718 -2.691 -10.073 592 HB1 ALA 71 HB1 ALA 71 -12.408 -5.032 -9.871 593 HB2 ALA 71 HB2 ALA 71 -13.081 -4.051 -8.569 594 HB3 ALA 71 HB3 ALA 71 -11.699 -5.101 -8.258 595 H ASP 72 H ASP 72 -12.562 -1.441 -8.314 596 HA ASP 72 HA ASP 72 -10.560 -0.153 -6.847 597 HB2 ASP 72 HB2 ASP 72 -12.332 1.100 -5.749 598 HB3 ASP 72 HB3 ASP 72 -12.674 0.941 -7.465 599 H SER 73 H SER 73 -12.596 -2.859 -5.974 600 HA SER 73 HA SER 73 -12.165 -2.846 -3.202 601 HB2 SER 73 HB2 SER 73 -12.508 -5.226 -5.043 602 HB3 SER 73 HB3 SER 73 -12.678 -5.256 -3.289 603 HG SER 73 HG SER 73 -14.249 -3.723 -5.101 604 H THR 74 H THR 74 -10.189 -4.032 -5.859 605 HA THR 74 HA THR 74 -8.157 -5.093 -4.088 606 HB THR 74 HB THR 74 -8.023 -4.675 -7.088 607 HG1 THR 74 HG1 THR 74 -8.903 -6.902 -5.518 608 HG21 THR 74 HG21 THR 74 -6.462 -6.498 -5.247 609 HG22 THR 74 HG22 THR 74 -5.846 -5.033 -6.008 610 HG23 THR 74 HG23 THR 74 -6.302 -6.417 -7.001 611 H ALA 75 H ALA 75 -8.614 -2.351 -6.266 612 HA ALA 75 HA ALA 75 -6.090 -1.207 -6.159 613 HB1 ALA 75 HB1 ALA 75 -8.748 0.203 -6.362 614 HB2 ALA 75 HB2 ALA 75 -7.829 -0.481 -7.702 615 HB3 ALA 75 HB3 ALA 75 -7.179 0.884 -6.796 616 H GLN 76 H GLN 76 -8.846 -0.706 -3.977 617 HA GLN 76 HA GLN 76 -7.644 1.301 -2.427 618 HB2 GLN 76 HB2 GLN 76 -9.928 -0.597 -2.005 619 HB3 GLN 76 HB3 GLN 76 -9.419 0.503 -0.743 620 HG2 GLN 76 HG2 GLN 76 -10.235 1.348 -3.508 621 HG3 GLN 76 HG3 GLN 76 -11.306 1.348 -2.110 622 HE21 GLN 76 HE21 GLN 76 -11.642 3.562 -2.258 623 HE22 GLN 76 HE22 GLN 76 -10.433 4.712 -1.817 624 H ARG 77 H ARG 77 -7.568 -2.207 -2.225 625 HA ARG 77 HA ARG 77 -6.271 -2.282 0.318 626 HB2 ARG 77 HB2 ARG 77 -6.942 -4.261 -1.774 627 HB3 ARG 77 HB3 ARG 77 -5.558 -4.651 -0.763 628 HG2 ARG 77 HG2 ARG 77 -7.578 -5.631 0.141 629 HG3 ARG 77 HG3 ARG 77 -6.942 -4.402 1.234 630 HD2 ARG 77 HD2 ARG 77 -8.565 -2.787 0.288 631 HD3 ARG 77 HD3 ARG 77 -9.247 -4.092 -0.683 632 HE ARG 77 HE ARG 77 -9.275 -4.017 2.274 633 HH11 ARG 77 HH11 ARG 77 -10.660 -4.979 -0.788 634 HH12 ARG 77 HH12 ARG 77 -12.084 -5.678 -0.076 635 HH21 ARG 77 HH21 ARG 77 -11.132 -4.915 3.224 636 HH22 ARG 77 HH22 ARG 77 -12.354 -5.643 2.223 637 H ASN 78 H ASN 78 -5.161 -2.319 -3.027 638 HA ASN 78 HA ASN 78 -2.426 -2.683 -2.545 639 HB2 ASN 78 HB2 ASN 78 -3.925 -1.256 -4.734 640 HB3 ASN 78 HB3 ASN 78 -2.170 -1.349 -4.728 641 HD21 ASN 78 HD21 ASN 78 -2.275 -2.483 -6.692 642 HD22 ASN 78 HD22 ASN 78 -2.704 -4.157 -6.744 643 H LEU 79 H LEU 79 -4.420 0.205 -2.564 644 HA LEU 79 HA LEU 79 -2.261 1.998 -2.009 645 HB2 LEU 79 HB2 LEU 79 -5.245 2.350 -1.687 646 HB3 LEU 79 HB3 LEU 79 -4.057 3.637 -1.581 647 HG LEU 79 HG LEU 79 -4.610 1.983 -4.050 648 HD11 LEU 79 HD11 LEU 79 -5.601 4.039 -4.931 649 HD12 LEU 79 HD12 LEU 79 -5.360 4.821 -3.368 650 HD13 LEU 79 HD13 LEU 79 -6.467 3.455 -3.510 651 HD21 LEU 79 HD21 LEU 79 -2.294 2.772 -3.897 652 HD22 LEU 79 HD22 LEU 79 -2.875 4.420 -3.663 653 HD23 LEU 79 HD23 LEU 79 -3.179 3.584 -5.187 654 H SER 80 H SER 80 -4.655 0.272 -0.091 655 HA SER 80 HA SER 80 -4.220 1.574 2.355 656 HB2 SER 80 HB2 SER 80 -6.171 0.135 1.915 657 HB3 SER 80 HB3 SER 80 -5.120 -1.278 1.891 658 HG SER 80 HG SER 80 -4.754 0.182 4.154 659 H THR 81 H THR 81 -2.542 -1.166 0.858 660 HA THR 81 HA THR 81 -1.041 -1.830 3.157 661 HB THR 81 HB THR 81 0.586 -2.863 1.463 662 HG1 THR 81 HG1 THR 81 -0.685 -1.407 -0.251 663 HG21 THR 81 HG21 THR 81 -2.320 -3.667 1.526 664 HG22 THR 81 HG22 THR 81 -1.057 -4.171 2.650 665 HG23 THR 81 HG23 THR 81 -1.002 -4.698 0.968 666 H ILE 82 H ILE 82 -0.572 0.553 0.625 667 HA ILE 82 HA ILE 82 2.054 1.337 1.426 668 HB ILE 82 HB ILE 82 -0.032 3.041 0.043 669 HG12 ILE 82 HG12 ILE 82 2.081 1.305 -1.256 670 HG13 ILE 82 HG13 ILE 82 0.388 0.840 -1.099 671 HG21 ILE 82 HG21 ILE 82 1.850 4.310 0.892 672 HG22 ILE 82 HG22 ILE 82 1.927 4.227 -0.869 673 HG23 ILE 82 HG23 ILE 82 2.979 3.205 0.110 674 HD11 ILE 82 HD11 ILE 82 -0.271 2.745 -2.457 675 HD12 ILE 82 HD12 ILE 82 0.882 1.721 -3.314 676 HD13 ILE 82 HD13 ILE 82 1.414 3.241 -2.594 677 H LYS 83 H LYS 83 -1.215 2.321 2.160 678 HA LYS 83 HA LYS 83 -0.804 4.542 3.781 679 HB2 LYS 83 HB2 LYS 83 -2.963 3.492 2.826 680 HB3 LYS 83 HB3 LYS 83 -2.948 2.487 4.262 681 HG2 LYS 83 HG2 LYS 83 -2.858 5.470 4.466 682 HG3 LYS 83 HG3 LYS 83 -4.381 4.611 4.246 683 HD2 LYS 83 HD2 LYS 83 -3.728 3.230 6.267 684 HD3 LYS 83 HD3 LYS 83 -2.444 4.412 6.534 685 HE2 LYS 83 HE2 LYS 83 -4.193 6.195 6.525 686 HE3 LYS 83 HE3 LYS 83 -5.412 4.922 6.473 687 HZ1 LYS 83 HZ1 LYS 83 -4.535 4.070 8.567 688 HZ2 LYS 83 HZ2 LYS 83 -5.059 5.674 8.719 689 HZ3 LYS 83 HZ3 LYS 83 -3.401 5.330 8.615 690 H ILE 84 H ILE 84 -0.719 1.104 4.599 691 HA ILE 84 HA ILE 84 -0.524 1.375 7.380 692 HB ILE 84 HB ILE 84 0.657 -0.756 5.585 693 HG12 ILE 84 HG12 ILE 84 -1.895 -0.704 7.216 694 HG13 ILE 84 HG13 ILE 84 -1.807 -0.485 5.472 695 HG21 ILE 84 HG21 ILE 84 0.216 -0.782 8.571 696 HG22 ILE 84 HG22 ILE 84 1.778 -0.729 7.756 697 HG23 ILE 84 HG23 ILE 84 0.750 -2.153 7.599 698 HD11 ILE 84 HD11 ILE 84 -0.960 -2.750 5.224 699 HD12 ILE 84 HD12 ILE 84 -2.506 -2.733 6.076 700 HD13 ILE 84 HD13 ILE 84 -1.006 -2.966 6.974 701 H TYR 85 H TYR 85 1.999 1.386 4.882 702 HA TYR 85 HA TYR 85 4.188 1.600 6.683 703 HB2 TYR 85 HB2 TYR 85 4.504 0.804 4.397 704 HB3 TYR 85 HB3 TYR 85 3.959 2.349 3.759 705 HD1 TYR 85 HD1 TYR 85 6.647 0.812 5.835 706 HD2 TYR 85 HD2 TYR 85 5.497 4.053 3.326 707 HE1 TYR 85 HE1 TYR 85 8.968 1.628 5.830 708 HE2 TYR 85 HE2 TYR 85 7.813 4.875 3.314 709 HH TYR 85 HH TYR 85 9.834 4.712 4.655 710 H VAL 86 H VAL 86 2.372 3.955 4.779 711 HA VAL 86 HA VAL 86 3.809 6.251 5.526 712 HB VAL 86 HB VAL 86 0.927 5.949 4.672 713 HG11 VAL 86 HG11 VAL 86 1.043 8.346 4.084 714 HG12 VAL 86 HG12 VAL 86 2.620 8.439 4.868 715 HG13 VAL 86 HG13 VAL 86 1.184 8.065 5.820 716 HG21 VAL 86 HG21 VAL 86 1.764 6.658 2.482 717 HG22 VAL 86 HG22 VAL 86 2.527 5.164 3.024 718 HG23 VAL 86 HG23 VAL 86 3.406 6.690 3.126 719 H SER 87 H SER 87 0.870 4.805 6.874 720 HA SER 87 HA SER 87 0.455 6.687 8.908 721 HB2 SER 87 HB2 SER 87 -0.502 3.968 8.236 722 HB3 SER 87 HB3 SER 87 -0.713 4.472 9.919 723 HG SER 87 HG SER 87 -1.490 6.523 8.562 724 H ALA 88 H ALA 88 2.385 3.709 8.837 725 HA ALA 88 HA ALA 88 3.098 3.750 11.584 726 HB1 ALA 88 HB1 ALA 88 4.651 2.604 9.260 727 HB2 ALA 88 HB2 ALA 88 3.386 1.766 10.161 728 HB3 ALA 88 HB3 ALA 88 4.888 2.222 10.964 729 H ALA 89 H ALA 89 4.425 5.235 8.701 730 HA ALA 89 HA ALA 89 6.770 6.309 9.823 731 HB1 ALA 89 HB1 ALA 89 6.383 6.150 7.406 732 HB2 ALA 89 HB2 ALA 89 6.825 7.783 7.904 733 HB3 ALA 89 HB3 ALA 89 5.143 7.399 7.535 734 H ILE 90 H ILE 90 3.461 7.244 10.110 735 HA ILE 90 HA ILE 90 4.025 9.913 10.969 736 HB ILE 90 HB ILE 90 1.521 8.271 11.425 737 HG12 ILE 90 HG12 ILE 90 2.136 10.289 9.256 738 HG13 ILE 90 HG13 ILE 90 2.075 8.544 9.032 739 HG21 ILE 90 HG21 ILE 90 1.995 11.242 11.620 740 HG22 ILE 90 HG22 ILE 90 1.644 10.140 12.953 741 HG23 ILE 90 HG23 ILE 90 0.419 10.458 11.723 742 HD11 ILE 90 HD11 ILE 90 0.036 9.575 8.248 743 HD12 ILE 90 HD12 ILE 90 -0.223 10.316 9.827 744 HD13 ILE 90 HD13 ILE 90 -0.296 8.562 9.654 745 H LYS 91 H LYS 91 3.742 6.787 12.485 746 HA LYS 91 HA LYS 91 3.306 7.679 15.141 747 HB2 LYS 91 HB2 LYS 91 4.017 5.103 13.854 748 HB3 LYS 91 HB3 LYS 91 4.441 5.274 15.550 749 HG2 LYS 91 HG2 LYS 91 2.313 4.217 15.400 750 HG3 LYS 91 HG3 LYS 91 2.081 5.845 16.031 751 HD2 LYS 91 HD2 LYS 91 1.378 6.612 13.837 752 HD3 LYS 91 HD3 LYS 91 1.654 4.999 13.170 753 HE2 LYS 91 HE2 LYS 91 -0.028 4.109 14.752 754 HE3 LYS 91 HE3 LYS 91 -0.340 5.757 15.295 755 HZ1 LYS 91 HZ1 LYS 91 -1.059 6.339 13.084 756 HZ2 LYS 91 HZ2 LYS 91 -1.951 5.009 13.649 757 HZ3 LYS 91 HZ3 LYS 91 -0.709 4.775 12.521 758 H LYS 92 H LYS 92 6.214 6.737 13.370 759 HA LYS 92 HA LYS 92 7.852 8.401 15.042 760 HB2 LYS 92 HB2 LYS 92 7.575 6.260 16.353 761 HB3 LYS 92 HB3 LYS 92 8.389 5.425 15.037 762 HG2 LYS 92 HG2 LYS 92 10.346 6.940 15.407 763 HG3 LYS 92 HG3 LYS 92 9.526 7.530 16.857 764 HD2 LYS 92 HD2 LYS 92 9.416 5.180 17.665 765 HD3 LYS 92 HD3 LYS 92 10.395 4.701 16.278 766 HE2 LYS 92 HE2 LYS 92 12.167 6.242 17.044 767 HE3 LYS 92 HE3 LYS 92 11.195 6.613 18.469 768 HZ1 LYS 92 HZ1 LYS 92 12.339 3.974 17.733 769 HZ2 LYS 92 HZ2 LYS 92 11.278 4.221 19.031 770 HZ3 LYS 92 HZ3 LYS 92 12.807 4.960 19.033 771 H GLY 93 H GLY 93 7.550 8.874 12.499 772 HA2 GLY 93 HA2 GLY 93 10.064 7.919 11.318 773 HA3 GLY 93 HA3 GLY 93 8.582 7.730 10.397 774 H TYR 94 H TYR 94 7.675 9.497 9.386 775 HA TYR 94 HA TYR 94 9.195 11.988 9.465 776 HB2 TYR 94 HB2 TYR 94 9.525 9.943 7.523 777 HB3 TYR 94 HB3 TYR 94 8.722 11.295 6.746 778 HD1 TYR 94 HD2 TYR 94 11.773 10.138 8.380 779 HD2 TYR 94 HD1 TYR 94 9.867 13.437 6.488 780 HE1 TYR 94 HE2 TYR 94 13.948 11.268 8.176 781 HE2 TYR 94 HE1 TYR 94 12.036 14.576 6.275 782 HH TYR 94 HH TYR 94 14.236 14.561 7.324 783 H MET 95 H MET 95 6.318 10.221 8.690 784 HA MET 95 HA MET 95 5.028 12.458 7.383 785 HB2 MET 95 HB2 MET 95 4.714 9.694 7.287 786 HB3 MET 95 HB3 MET 95 3.286 10.253 8.139 787 HG2 MET 95 HG2 MET 95 4.207 11.175 5.427 788 HG3 MET 95 HG3 MET 95 2.880 10.065 5.754 789 HE1 MET 95 HE1 MET 95 0.949 13.201 4.507 790 HE2 MET 95 HE2 MET 95 1.138 11.454 4.368 791 HE3 MET 95 HE3 MET 95 2.459 12.523 3.894 792 H GLU 96 H GLU 96 2.666 12.861 8.178 793 HA GLU 96 HA GLU 96 2.469 12.944 11.075 794 HB2 GLU 96 HB2 GLU 96 3.888 14.908 10.365 795 HB3 GLU 96 HB3 GLU 96 2.489 15.516 9.498 796 HG2 GLU 96 HG2 GLU 96 1.236 15.554 11.633 797 HG3 GLU 96 HG3 GLU 96 2.718 15.078 12.464 798 H ASN 97 H ASN 97 1.181 13.931 7.945 799 HA ASN 97 HA ASN 97 -1.511 14.082 9.137 800 HB2 ASN 97 HB2 ASN 97 -0.490 15.354 6.584 801 HB3 ASN 97 HB3 ASN 97 -2.123 15.510 7.218 802 HD21 ASN 97 HD21 ASN 97 -0.212 17.588 6.644 803 HD22 ASN 97 HD22 ASN 97 0.090 18.418 8.140 804 H ASP 98 H ASP 98 -2.697 12.334 8.784 805 HA ASP 98 HA ASP 98 -2.164 10.380 6.841 806 HB2 ASP 98 HB2 ASP 98 -3.929 10.651 8.972 807 HB3 ASP 98 HB3 ASP 98 -4.984 10.533 7.569 808 HA PRO 99 HA PRO 99 -3.888 12.232 3.214 809 HB2 PRO 99 HB2 PRO 99 -4.037 10.027 1.652 810 HB3 PRO 99 HB3 PRO 99 -2.506 10.820 2.035 811 HG2 PRO 99 HG2 PRO 99 -3.725 8.368 3.232 812 HG3 PRO 99 HG3 PRO 99 -2.034 8.687 2.806 813 HD2 PRO 99 HD2 PRO 99 -3.006 8.859 5.353 814 HD3 PRO 99 HD3 PRO 99 -1.623 9.803 4.765 815 H PHE 100 H PHE 100 -5.359 9.397 4.695 816 HA PHE 100 HA PHE 100 -7.764 9.509 3.169 817 HB2 PHE 100 HB2 PHE 100 -6.896 8.000 5.607 818 HB3 PHE 100 HB3 PHE 100 -8.587 7.989 5.119 819 HD1 PHE 100 HD2 PHE 100 -5.184 7.426 3.688 820 HD2 PHE 100 HD1 PHE 100 -9.307 6.376 3.657 821 HE1 PHE 100 HE2 PHE 100 -4.708 5.634 2.071 822 HE2 PHE 100 HE1 PHE 100 -8.840 4.581 2.039 823 HZ PHE 100 HZ PHE 100 -6.539 4.207 1.245 824 H LYS 101 H LYS 101 -6.611 11.401 5.695 825 HA LYS 101 HA LYS 101 -9.053 12.031 6.978 826 HB2 LYS 101 HB2 LYS 101 -6.900 12.440 8.035 827 HB3 LYS 101 HB3 LYS 101 -6.435 13.534 6.744 828 HG2 LYS 101 HG2 LYS 101 -8.889 14.159 8.291 829 HG3 LYS 101 HG3 LYS 101 -7.320 14.406 9.062 830 HD2 LYS 101 HD2 LYS 101 -8.045 15.519 6.358 831 HD3 LYS 101 HD3 LYS 101 -8.259 16.397 7.865 832 HE2 LYS 101 HE2 LYS 101 -5.856 16.202 8.318 833 HE3 LYS 101 HE3 LYS 101 -5.653 15.336 6.797 834 HZ1 LYS 101 HZ1 LYS 101 -6.738 18.090 6.977 835 HZ2 LYS 101 HZ2 LYS 101 -6.262 17.254 5.572 836 HZ3 LYS 101 HZ3 LYS 101 -5.100 17.744 6.707 837 H ASP 102 H ASP 102 -7.325 13.276 4.174 838 HA ASP 102 HA ASP 102 -9.449 15.198 3.667 839 HB2 ASP 102 HB2 ASP 102 -6.746 14.730 2.430 840 HB3 ASP 102 HB3 ASP 102 -7.927 15.808 1.710 841 H PHE 103 H PHE 103 -8.258 12.158 2.665 842 HA PHE 103 HA PHE 103 -9.404 12.015 0.084 843 HB2 PHE 103 HB2 PHE 103 -7.573 10.545 0.906 844 HB3 PHE 103 HB3 PHE 103 -8.722 9.752 1.975 845 HD1 PHE 103 HD1 PHE 103 -7.802 10.301 -1.550 846 HD2 PHE 103 HD2 PHE 103 -10.173 8.056 1.179 847 HE1 PHE 103 HE1 PHE 103 -8.327 8.690 -3.337 848 HE2 PHE 103 HE2 PHE 103 -10.707 6.446 -0.603 849 HZ PHE 103 HZ PHE 103 -9.782 6.762 -2.864 850 H GLY 104 H GLY 104 -10.537 11.013 3.288 851 HA2 GLY 104 HA2 GLY 104 -12.997 9.913 2.316 852 HA3 GLY 104 HA3 GLY 104 -12.599 10.257 3.995 853 H LEU 105 H LEU 105 -11.923 13.042 3.376 854 HA LEU 105 HA LEU 105 -12.807 15.117 3.166 855 HB2 LEU 105 HB2 LEU 105 -13.605 14.385 0.975 856 HB3 LEU 105 HB3 LEU 105 -15.043 13.703 1.708 857 HG LEU 105 HG LEU 105 -15.763 15.966 2.378 858 HD11 LEU 105 HD11 LEU 105 -14.619 17.922 1.448 859 HD12 LEU 105 HD12 LEU 105 -13.341 16.877 0.830 860 HD13 LEU 105 HD13 LEU 105 -13.590 17.031 2.569 861 HD21 LEU 105 HD21 LEU 105 -16.350 16.749 0.142 862 HD22 LEU 105 HD22 LEU 105 -16.538 15.001 0.277 863 HD23 LEU 105 HD23 LEU 105 -15.139 15.676 -0.559 864 H GLU 106 H GLU 106 -14.100 12.708 4.965 865 HA GLU 106 HA GLU 106 -15.402 12.578 6.807 866 HB2 GLU 106 HB2 GLU 106 -14.324 14.709 7.468 867 HB3 GLU 106 HB3 GLU 106 -15.598 15.591 6.640 868 HG2 GLU 106 HG2 GLU 106 -15.897 15.453 9.092 869 HG3 GLU 106 HG3 GLU 106 -17.247 14.792 8.169 870 H HIS 107 H HIS 107 -17.497 12.098 7.152 871 HA HIS 107 HA HIS 107 -19.363 12.945 5.034 872 HB2 HIS 107 HB2 HIS 107 -18.790 10.489 5.241 873 HB3 HIS 107 HB3 HIS 107 -19.597 10.503 6.805 874 HD1 HIS 107 HD1 HIS 107 -21.928 9.716 6.697 875 HD2 HIS 107 HD2 HIS 107 -20.726 11.478 3.124 876 HE1 HIS 107 HE1 HIS 107 -23.884 9.496 5.136 877 HE2 HIS 107 HE2 HIS 107 -23.045 10.340 2.918 878 H HIS 108 H HIS 108 -18.574 13.513 8.170 879 HA HIS 108 HA HIS 108 -21.332 14.003 9.061 880 HB2 HIS 108 HB2 HIS 108 -18.713 14.155 10.574 881 HB3 HIS 108 HB3 HIS 108 -20.301 14.447 11.271 882 HD1 HIS 108 HD1 HIS 108 -18.034 11.726 10.102 883 HD2 HIS 108 HD2 HIS 108 -21.809 12.142 11.801 884 HE1 HIS 108 HE1 HIS 108 -18.687 9.425 10.890 885 HE2 HIS 108 HE2 HIS 108 -20.857 9.759 12.124 886 H HIS 109 H HIS 109 -21.524 16.112 10.402 887 HA HIS 109 HA HIS 109 -19.936 18.254 9.149 888 HB2 HIS 109 HB2 HIS 109 -22.351 18.222 8.414 889 HB3 HIS 109 HB3 HIS 109 -22.795 18.551 10.087 890 HD1 HIS 109 HD1 HIS 109 -20.895 20.123 7.208 891 HD2 HIS 109 HD2 HIS 109 -22.697 21.203 10.799 892 HE1 HIS 109 HE1 HIS 109 -20.854 22.636 7.260 893 HE2 HIS 109 HE2 HIS 109 -21.785 23.262 9.514 894 H HIS 110 H HIS 110 -18.590 19.031 10.576 895 HA HIS 110 HA HIS 110 -19.315 18.988 13.435 896 HB2 HIS 110 HB2 HIS 110 -17.307 17.683 12.699 897 HB3 HIS 110 HB3 HIS 110 -16.580 19.182 12.140 898 HD1 HIS 110 HD1 HIS 110 -15.789 20.862 13.979 899 HD2 HIS 110 HD2 HIS 110 -17.122 17.203 15.420 900 HE1 HIS 110 HE1 HIS 110 -14.957 20.730 16.342 901 HE2 HIS 110 HE2 HIS 110 -15.630 18.435 17.140 902 H HIS 111 H HIS 111 -19.693 20.931 14.403 903 HA HIS 111 HA HIS 111 -19.343 23.327 12.860 904 HB2 HIS 111 HB2 HIS 111 -20.368 24.542 14.662 905 HB3 HIS 111 HB3 HIS 111 -21.263 23.052 14.430 906 HD1 HIS 111 HD1 HIS 111 -19.161 24.896 16.894 907 HD2 HIS 111 HD2 HIS 111 -21.183 21.273 16.616 908 HE1 HIS 111 HE1 HIS 111 -19.289 24.007 19.244 909 HE2 HIS 111 HE2 HIS 111 -20.669 21.909 19.073 910 H HIS 112 H HIS 112 -17.555 24.400 12.642 911 HA HIS 112 HA HIS 112 -15.622 24.585 14.806 912 HB2 HIS 112 HB2 HIS 112 -14.986 22.519 13.630 913 HB3 HIS 112 HB3 HIS 112 -14.950 23.387 12.101 914 HD1 HIS 112 HD1 HIS 112 -12.694 24.106 11.391 915 HD2 HIS 112 HD2 HIS 112 -12.963 23.678 15.523 916 HE1 HIS 112 HE1 HIS 112 -10.377 24.528 12.274 917 HE2 HIS 112 HE2 HIS 112 -10.526 24.062 14.745 Start of MODEL 3 1 H1 MET 1 H1 MET 1 16.562 -4.073 17.311 2 H2 MET 1 H2 MET 1 15.020 -3.397 17.118 3 H3 MET 1 H3 MET 1 16.368 -2.385 17.310 4 HA MET 1 HA MET 1 15.634 -2.442 15.024 5 HB2 MET 1 HB2 MET 1 17.793 -3.049 13.987 6 HB3 MET 1 HB3 MET 1 17.993 -2.068 15.430 7 HG2 MET 1 HG2 MET 1 18.586 -4.044 16.712 8 HG3 MET 1 HG3 MET 1 18.343 -5.055 15.289 9 HE1 MET 1 HE1 MET 1 21.599 -1.783 15.463 10 HE2 MET 1 HE2 MET 1 20.478 -2.078 16.794 11 HE3 MET 1 HE3 MET 1 19.877 -1.463 15.254 12 H ASN 2 H ASN 2 15.835 -3.795 12.960 13 HA ASN 2 HA ASN 2 14.604 -6.412 13.565 14 HB2 ASN 2 HB2 ASN 2 13.770 -4.326 11.543 15 HB3 ASN 2 HB3 ASN 2 13.205 -5.989 11.481 16 HD21 ASN 2 HD21 ASN 2 11.081 -5.342 11.734 17 HD22 ASN 2 HD22 ASN 2 10.460 -4.793 13.255 18 H ASN 3 H ASN 3 16.153 -4.536 10.951 19 HA ASN 3 HA ASN 3 17.315 -6.986 9.874 20 HB2 ASN 3 HB2 ASN 3 15.047 -6.868 8.895 21 HB3 ASN 3 HB3 ASN 3 15.388 -5.248 8.304 22 HD21 ASN 3 HD21 ASN 3 16.052 -8.644 7.919 23 HD22 ASN 3 HD22 ASN 3 16.733 -8.523 6.329 24 HA PRO 4 HA PRO 4 20.836 -4.482 8.521 25 HB2 PRO 4 HB2 PRO 4 20.101 -5.756 5.907 26 HB3 PRO 4 HB3 PRO 4 21.697 -5.533 6.635 27 HG2 PRO 4 HG2 PRO 4 20.428 -7.888 6.753 28 HG3 PRO 4 HG3 PRO 4 21.427 -7.299 8.090 29 HD2 PRO 4 HD2 PRO 4 18.503 -7.572 7.921 30 HD3 PRO 4 HD3 PRO 4 19.549 -7.473 9.350 31 H SER 5 H SER 5 17.885 -4.623 6.573 32 HA SER 5 HA SER 5 16.591 -3.004 5.673 33 HB2 SER 5 HB2 SER 5 16.891 -1.838 7.822 34 HB3 SER 5 HB3 SER 5 18.371 -1.096 7.219 35 HG SER 5 HG SER 5 16.878 -0.287 5.465 36 H ASP 6 H ASP 6 18.114 -3.991 3.868 37 HA ASP 6 HA ASP 6 19.616 -1.888 2.540 38 HB2 ASP 6 HB2 ASP 6 19.172 -4.801 1.999 39 HB3 ASP 6 HB3 ASP 6 19.766 -3.751 0.716 40 H PHE 7 H PHE 7 16.546 -2.347 2.955 41 HA PHE 7 HA PHE 7 15.822 -1.476 0.254 42 HB2 PHE 7 HB2 PHE 7 13.470 -2.370 0.964 43 HB3 PHE 7 HB3 PHE 7 14.680 -3.470 0.332 44 HD1 PHE 7 HD1 PHE 7 12.813 -2.407 3.281 45 HD2 PHE 7 HD2 PHE 7 15.722 -5.120 1.775 46 HE1 PHE 7 HE1 PHE 7 12.558 -3.793 5.296 47 HE2 PHE 7 HE2 PHE 7 15.475 -6.511 3.787 48 HZ PHE 7 HZ PHE 7 13.889 -5.850 5.550 49 H LYS 8 H LYS 8 15.334 0.556 0.211 50 HA LYS 8 HA LYS 8 14.112 1.827 2.551 51 HB2 LYS 8 HB2 LYS 8 14.663 3.914 1.406 52 HB3 LYS 8 HB3 LYS 8 16.078 2.910 1.632 53 HG2 LYS 8 HG2 LYS 8 16.095 2.285 -0.663 54 HG3 LYS 8 HG3 LYS 8 14.526 3.046 -0.933 55 HD2 LYS 8 HD2 LYS 8 15.481 5.233 -0.489 56 HD3 LYS 8 HD3 LYS 8 17.043 4.502 -0.120 57 HE2 LYS 8 HE2 LYS 8 17.246 3.710 -2.397 58 HE3 LYS 8 HE3 LYS 8 15.636 4.322 -2.780 59 HZ1 LYS 8 HZ1 LYS 8 16.364 6.538 -2.549 60 HZ2 LYS 8 HZ2 LYS 8 17.552 5.761 -3.481 61 HZ3 LYS 8 HZ3 LYS 8 17.832 6.077 -1.838 62 H SER 9 H SER 9 13.401 0.447 -0.362 63 HA SER 9 HA SER 9 11.428 2.262 -1.338 64 HB2 SER 9 HB2 SER 9 11.934 -0.630 -2.059 65 HB3 SER 9 HB3 SER 9 10.914 0.486 -2.964 66 HG SER 9 HG SER 9 13.348 0.112 -3.480 67 H PHE 10 H PHE 10 9.271 2.230 -1.186 68 HA PHE 10 HA PHE 10 7.977 1.329 1.075 69 HB2 PHE 10 HB2 PHE 10 6.634 1.712 -1.610 70 HB3 PHE 10 HB3 PHE 10 5.910 1.905 -0.020 71 HD1 PHE 10 HD2 PHE 10 8.171 3.398 -2.495 72 HD2 PHE 10 HD1 PHE 10 6.193 3.925 1.235 73 HE1 PHE 10 HE2 PHE 10 8.710 5.795 -2.555 74 HE2 PHE 10 HE1 PHE 10 6.726 6.327 1.180 75 HZ PHE 10 HZ PHE 10 7.988 7.266 -0.716 76 H HIS 11 H HIS 11 7.730 -0.032 -2.191 77 HA HIS 11 HA HIS 11 6.162 -2.243 -1.536 78 HB2 HIS 11 HB2 HIS 11 6.861 -3.156 -3.726 79 HB3 HIS 11 HB3 HIS 11 6.397 -1.464 -3.835 80 HD1 HIS 11 HD1 HIS 11 8.081 0.107 -4.856 81 HD2 HIS 11 HD2 HIS 11 9.727 -3.577 -3.859 82 HE1 HIS 11 HE1 HIS 11 10.445 0.168 -5.707 83 HE2 HIS 11 HE2 HIS 11 11.469 -1.996 -4.926 84 H ASP 12 H ASP 12 9.545 -1.730 -1.116 85 HA ASP 12 HA ASP 12 10.217 -4.532 -0.989 86 HB2 ASP 12 HB2 ASP 12 11.701 -1.965 -0.764 87 HB3 ASP 12 HB3 ASP 12 12.422 -3.384 -0.018 88 H PHE 13 H PHE 13 10.047 -1.831 1.318 89 HA PHE 13 HA PHE 13 10.670 -3.348 3.601 90 HB2 PHE 13 HB2 PHE 13 10.723 -0.865 3.500 91 HB3 PHE 13 HB3 PHE 13 8.966 -0.851 3.446 92 HD1 PHE 13 HD2 PHE 13 11.900 -1.571 5.542 93 HD2 PHE 13 HD1 PHE 13 7.662 -1.183 5.415 94 HE1 PHE 13 HE2 PHE 13 11.828 -1.561 8.000 95 HE2 PHE 13 HE1 PHE 13 7.586 -1.171 7.873 96 HZ PHE 13 HZ PHE 13 9.670 -1.363 9.170 97 H VAL 14 H VAL 14 7.573 -2.542 2.086 98 HA VAL 14 HA VAL 14 5.949 -3.656 4.109 99 HB VAL 14 HB VAL 14 5.315 -3.215 1.188 100 HG11 VAL 14 HG11 VAL 14 3.785 -4.831 2.169 101 HG12 VAL 14 HG12 VAL 14 2.962 -3.293 1.901 102 HG13 VAL 14 HG13 VAL 14 3.481 -3.744 3.525 103 HG21 VAL 14 HG21 VAL 14 4.743 -1.522 3.617 104 HG22 VAL 14 HG22 VAL 14 4.209 -1.179 1.971 105 HG23 VAL 14 HG23 VAL 14 5.929 -1.167 2.362 106 H ALA 15 H ALA 15 7.357 -5.002 1.159 107 HA ALA 15 HA ALA 15 5.952 -7.435 1.148 108 HB1 ALA 15 HB1 ALA 15 7.216 -6.656 -0.782 109 HB2 ALA 15 HB2 ALA 15 7.742 -8.268 -0.299 110 HB3 ALA 15 HB3 ALA 15 8.725 -6.861 0.107 111 H SER 16 H SER 16 8.902 -6.442 2.786 112 HA SER 16 HA SER 16 9.530 -9.061 3.748 113 HB2 SER 16 HB2 SER 16 11.207 -7.207 3.416 114 HB3 SER 16 HB3 SER 16 10.516 -6.411 4.829 115 HG SER 16 HG SER 16 11.828 -8.919 4.706 116 H TYR 17 H TYR 17 7.966 -6.189 5.125 117 HA TYR 17 HA TYR 17 7.645 -7.274 7.731 118 HB2 TYR 17 HB2 TYR 17 7.597 -4.870 7.363 119 HB3 TYR 17 HB3 TYR 17 6.170 -5.025 6.344 120 HD1 TYR 17 HD2 TYR 17 7.383 -5.549 9.824 121 HD2 TYR 17 HD1 TYR 17 4.032 -4.925 7.279 122 HE1 TYR 17 HE2 TYR 17 5.942 -5.276 11.797 123 HE2 TYR 17 HE1 TYR 17 2.582 -4.652 9.245 124 HH TYR 17 HH TYR 17 3.843 -4.311 12.433 125 H MET 18 H MET 18 5.622 -7.248 4.852 126 HA MET 18 HA MET 18 3.223 -8.124 6.028 127 HB2 MET 18 HB2 MET 18 3.551 -7.179 3.699 128 HB3 MET 18 HB3 MET 18 4.140 -8.764 3.227 129 HG2 MET 18 HG2 MET 18 1.836 -8.532 2.598 130 HG3 MET 18 HG3 MET 18 1.984 -9.742 3.870 131 HE1 MET 18 HE1 MET 18 2.180 -5.836 4.349 132 HE2 MET 18 HE2 MET 18 0.489 -5.436 4.649 133 HE3 MET 18 HE3 MET 18 0.990 -6.010 3.060 134 H LYS 19 H LYS 19 6.080 -9.827 4.992 135 HA LYS 19 HA LYS 19 5.158 -12.457 4.945 136 HB2 LYS 19 HB2 LYS 19 7.383 -11.885 4.190 137 HB3 LYS 19 HB3 LYS 19 7.832 -11.329 5.796 138 HG2 LYS 19 HG2 LYS 19 7.428 -13.701 6.580 139 HG3 LYS 19 HG3 LYS 19 7.345 -14.143 4.873 140 HD2 LYS 19 HD2 LYS 19 9.585 -13.394 4.499 141 HD3 LYS 19 HD3 LYS 19 9.673 -12.694 6.119 142 HE2 LYS 19 HE2 LYS 19 9.349 -14.992 7.042 143 HE3 LYS 19 HE3 LYS 19 9.478 -15.614 5.397 144 HZ1 LYS 19 HZ1 LYS 19 11.569 -15.685 6.714 145 HZ2 LYS 19 HZ2 LYS 19 11.590 -13.986 6.704 146 HZ3 LYS 19 HZ3 LYS 19 11.704 -14.846 5.245 147 H THR 20 H THR 20 6.168 -10.434 7.647 148 HA THR 20 HA THR 20 5.769 -12.518 9.603 149 HB THR 20 HB THR 20 6.133 -9.555 10.096 150 HG1 THR 20 HG1 THR 20 8.275 -9.862 9.885 151 HG21 THR 20 HG21 THR 20 6.774 -11.966 11.801 152 HG22 THR 20 HG22 THR 20 5.401 -10.887 12.034 153 HG23 THR 20 HG23 THR 20 7.043 -10.282 12.241 154 H TYR 21 H TYR 21 3.995 -9.830 8.259 155 HA TYR 21 HA TYR 21 1.951 -9.651 10.202 156 HB2 TYR 21 HB2 TYR 21 2.440 -7.903 8.493 157 HB3 TYR 21 HB3 TYR 21 1.806 -8.975 7.250 158 HD1 TYR 21 HD2 TYR 21 0.914 -6.920 10.184 159 HD2 TYR 21 HD1 TYR 21 -0.554 -9.223 6.920 160 HE1 TYR 21 HE2 TYR 21 -1.347 -6.032 10.576 161 HE2 TYR 21 HE1 TYR 21 -2.812 -8.342 7.303 162 HH TYR 21 HH TYR 21 -3.474 -5.688 9.223 163 H SER 22 H SER 22 2.646 -11.972 7.817 164 HA SER 22 HA SER 22 0.105 -12.946 7.170 165 HB2 SER 22 HB2 SER 22 2.125 -13.569 5.935 166 HB3 SER 22 HB3 SER 22 2.733 -14.439 7.343 167 HG SER 22 HG SER 22 0.196 -15.159 6.481 168 H ARG 23 H ARG 23 1.728 -13.050 10.164 169 HA ARG 23 HA ARG 23 0.681 -15.442 11.239 170 HB2 ARG 23 HB2 ARG 23 1.561 -12.859 12.518 171 HB3 ARG 23 HB3 ARG 23 0.991 -14.228 13.457 172 HG2 ARG 23 HG2 ARG 23 3.318 -14.333 11.548 173 HG3 ARG 23 HG3 ARG 23 3.460 -14.075 13.288 174 HD2 ARG 23 HD2 ARG 23 2.164 -16.485 12.016 175 HD3 ARG 23 HD3 ARG 23 3.830 -16.437 12.591 176 HE ARG 23 HE ARG 23 1.992 -15.647 14.627 177 HH11 ARG 23 HH11 ARG 23 3.248 -18.486 12.964 178 HH12 ARG 23 HH12 ARG 23 2.986 -19.537 14.326 179 HH21 ARG 23 HH21 ARG 23 1.702 -17.037 16.416 180 HH22 ARG 23 HH22 ARG 23 2.167 -18.706 16.293 181 H ARG 24 H ARG 24 -0.800 -12.477 10.420 182 HA ARG 24 HA ARG 24 -3.310 -13.458 11.599 183 HB2 ARG 24 HB2 ARG 24 -3.979 -11.039 11.887 184 HB3 ARG 24 HB3 ARG 24 -2.747 -11.622 12.997 185 HG2 ARG 24 HG2 ARG 24 -1.025 -10.490 11.800 186 HG3 ARG 24 HG3 ARG 24 -2.129 -10.090 10.482 187 HD2 ARG 24 HD2 ARG 24 -2.579 -9.150 13.301 188 HD3 ARG 24 HD3 ARG 24 -1.593 -8.246 12.155 189 HE ARG 24 HE ARG 24 -3.608 -8.113 10.731 190 HH11 ARG 24 HH11 ARG 24 -4.002 -8.789 14.152 191 HH12 ARG 24 HH12 ARG 24 -5.607 -8.112 14.215 192 HH21 ARG 24 HH21 ARG 24 -5.714 -7.236 10.830 193 HH22 ARG 24 HH22 ARG 24 -6.571 -7.233 12.342 194 H LEU 25 H LEU 25 -1.951 -13.515 8.897 195 HA LEU 25 HA LEU 25 -4.217 -12.461 7.363 196 HB2 LEU 25 HB2 LEU 25 -2.152 -10.932 7.340 197 HB3 LEU 25 HB3 LEU 25 -1.385 -12.187 6.398 198 HG LEU 25 HG LEU 25 -3.234 -11.941 4.720 199 HD11 LEU 25 HD11 LEU 25 -4.549 -9.875 4.799 200 HD12 LEU 25 HD12 LEU 25 -3.868 -9.507 6.385 201 HD13 LEU 25 HD13 LEU 25 -4.898 -10.922 6.175 202 HD21 LEU 25 HD21 LEU 25 -1.032 -10.925 4.408 203 HD22 LEU 25 HD22 LEU 25 -1.568 -9.491 5.283 204 HD23 LEU 25 HD23 LEU 25 -2.310 -9.911 3.739 205 H GLU 26 H GLU 26 -5.046 -14.061 6.191 206 HA GLU 26 HA GLU 26 -3.855 -16.584 5.892 207 HB2 GLU 26 HB2 GLU 26 -6.143 -15.257 4.449 208 HB3 GLU 26 HB3 GLU 26 -5.680 -16.927 4.190 209 HG2 GLU 26 HG2 GLU 26 -6.126 -17.436 6.518 210 HG3 GLU 26 HG3 GLU 26 -6.552 -15.752 6.805 211 H ILE 27 H ILE 27 -3.267 -17.646 3.921 212 HA ILE 27 HA ILE 27 -1.286 -16.231 2.502 213 HB ILE 27 HB ILE 27 -2.580 -18.879 1.838 214 HG12 ILE 27 HG12 ILE 27 -1.509 -18.871 4.036 215 HG13 ILE 27 HG13 ILE 27 -0.582 -19.855 2.906 216 HG21 ILE 27 HG21 ILE 27 -1.484 -17.942 -0.121 217 HG22 ILE 27 HG22 ILE 27 -0.577 -19.324 0.494 218 HG23 ILE 27 HG23 ILE 27 -0.006 -17.683 0.808 219 HD11 ILE 27 HD11 ILE 27 0.078 -17.036 3.737 220 HD12 ILE 27 HD12 ILE 27 1.016 -18.039 2.629 221 HD13 ILE 27 HD13 ILE 27 0.863 -18.502 4.323 222 H GLY 28 H GLY 28 -4.617 -17.084 1.703 223 HA2 GLY 28 HA2 GLY 28 -4.650 -16.458 -1.003 224 HA3 GLY 28 HA3 GLY 28 -6.028 -16.294 0.073 225 H THR 29 H THR 29 -5.334 -14.276 1.730 226 HA THR 29 HA THR 29 -5.548 -12.011 -0.016 227 HB THR 29 HB THR 29 -6.913 -11.880 1.896 228 HG1 THR 29 HG1 THR 29 -6.402 -9.898 2.508 229 HG21 THR 29 HG21 THR 29 -5.840 -13.493 3.327 230 HG22 THR 29 HG22 THR 29 -6.044 -11.976 4.203 231 HG23 THR 29 HG23 THR 29 -4.462 -12.417 3.563 232 H PHE 30 H PHE 30 -3.118 -13.221 2.286 233 HA PHE 30 HA PHE 30 -1.221 -11.244 2.188 234 HB2 PHE 30 HB2 PHE 30 -0.913 -13.151 3.603 235 HB3 PHE 30 HB3 PHE 30 -0.924 -14.251 2.234 236 HD1 PHE 30 HD1 PHE 30 1.025 -11.437 3.693 237 HD2 PHE 30 HD2 PHE 30 1.068 -14.976 1.330 238 HE1 PHE 30 HE1 PHE 30 3.481 -11.355 3.619 239 HE2 PHE 30 HE2 PHE 30 3.526 -14.897 1.249 240 HZ PHE 30 HZ PHE 30 4.734 -13.085 2.397 241 H ARG 31 H ARG 31 -1.536 -13.966 -0.078 242 HA ARG 31 HA ARG 31 0.606 -13.138 -1.740 243 HB2 ARG 31 HB2 ARG 31 -0.475 -15.470 -1.444 244 HB3 ARG 31 HB3 ARG 31 -1.645 -14.913 -2.632 245 HG2 ARG 31 HG2 ARG 31 0.142 -14.546 -4.235 246 HG3 ARG 31 HG3 ARG 31 1.329 -15.082 -3.042 247 HD2 ARG 31 HD2 ARG 31 0.410 -17.287 -3.010 248 HD3 ARG 31 HD3 ARG 31 -0.971 -16.785 -3.985 249 HE ARG 31 HE ARG 31 1.671 -16.501 -5.178 250 HH11 ARG 31 HH11 ARG 31 -1.236 -18.432 -4.859 251 HH12 ARG 31 HH12 ARG 31 -1.060 -19.190 -6.419 252 HH21 ARG 31 HH21 ARG 31 1.944 -17.521 -7.204 253 HH22 ARG 31 HH22 ARG 31 0.765 -18.683 -7.746 254 H HIS 32 H HIS 32 -2.828 -12.447 -1.708 255 HA HIS 32 HA HIS 32 -3.015 -11.643 -4.438 256 HB2 HIS 32 HB2 HIS 32 -4.885 -12.390 -2.753 257 HB3 HIS 32 HB3 HIS 32 -4.942 -10.674 -2.357 258 HD1 HIS 32 HD1 HIS 32 -5.060 -9.173 -4.796 259 HD2 HIS 32 HD2 HIS 32 -6.690 -12.991 -4.666 260 HE1 HIS 32 HE1 HIS 32 -6.717 -9.262 -6.684 261 HE2 HIS 32 HE2 HIS 32 -7.815 -11.520 -6.481 262 H HIS 33 H HIS 33 -1.572 -10.161 -1.818 263 HA HIS 33 HA HIS 33 -1.256 -7.771 -3.451 264 HB2 HIS 33 HB2 HIS 33 -1.426 -6.265 -1.474 265 HB3 HIS 33 HB3 HIS 33 -2.950 -7.018 -1.912 266 HD1 HIS 33 HD1 HIS 33 -0.132 -7.629 0.582 267 HD2 HIS 33 HD2 HIS 33 -4.251 -8.034 0.212 268 HE1 HIS 33 HE1 HIS 33 -0.936 -8.424 2.830 269 HE2 HIS 33 HE2 HIS 33 -3.394 -8.877 2.497 270 H LYS 34 H LYS 34 0.314 -10.101 -2.897 271 HA LYS 34 HA LYS 34 2.529 -9.096 -1.273 272 HB2 LYS 34 HB2 LYS 34 1.867 -11.409 -0.903 273 HB3 LYS 34 HB3 LYS 34 2.059 -11.768 -2.612 274 HG2 LYS 34 HG2 LYS 34 4.508 -11.100 -2.291 275 HG3 LYS 34 HG3 LYS 34 4.178 -11.234 -0.561 276 HD2 LYS 34 HD2 LYS 34 3.472 -13.538 -0.849 277 HD3 LYS 34 HD3 LYS 34 3.706 -13.415 -2.593 278 HE2 LYS 34 HE2 LYS 34 6.112 -12.921 -2.155 279 HE3 LYS 34 HE3 LYS 34 5.820 -13.265 -0.450 280 HZ1 LYS 34 HZ1 LYS 34 5.582 -15.143 -2.736 281 HZ2 LYS 34 HZ2 LYS 34 5.000 -15.495 -1.188 282 HZ3 LYS 34 HZ3 LYS 34 6.659 -15.235 -1.427 283 H SER 35 H SER 35 2.389 -10.880 -4.334 284 HA SER 35 HA SER 35 4.899 -9.820 -5.179 285 HB2 SER 35 HB2 SER 35 2.891 -11.439 -6.761 286 HB3 SER 35 HB3 SER 35 4.604 -11.232 -7.127 287 HG SER 35 HG SER 35 3.760 -13.203 -5.875 288 H CYS 36 H CYS 36 1.695 -8.736 -5.461 289 HA CYS 36 HA CYS 36 1.392 -7.642 -7.940 290 HB2 CYS 36 HB2 CYS 36 0.687 -6.323 -5.313 291 HB3 CYS 36 HB3 CYS 36 -0.008 -5.923 -6.878 292 HG CYS 36 HG CYS 36 -1.875 -7.375 -5.370 293 H MET 37 H MET 37 2.869 -5.981 -5.184 294 HA MET 37 HA MET 37 3.508 -3.587 -6.412 295 HB2 MET 37 HB2 MET 37 4.945 -5.010 -4.169 296 HB3 MET 37 HB3 MET 37 5.200 -3.327 -4.608 297 HG2 MET 37 HG2 MET 37 2.916 -2.793 -4.032 298 HG3 MET 37 HG3 MET 37 2.580 -4.490 -3.691 299 HE1 MET 37 HE1 MET 37 3.512 -5.809 -1.620 300 HE2 MET 37 HE2 MET 37 4.723 -5.167 -0.512 301 HE3 MET 37 HE3 MET 37 5.148 -5.483 -2.194 302 H ARG 38 H ARG 38 5.615 -6.435 -6.011 303 HA ARG 38 HA ARG 38 7.787 -5.127 -7.351 304 HB2 ARG 38 HB2 ARG 38 7.369 -7.684 -5.949 305 HB3 ARG 38 HB3 ARG 38 8.572 -7.716 -7.229 306 HG2 ARG 38 HG2 ARG 38 9.700 -5.791 -6.148 307 HG3 ARG 38 HG3 ARG 38 8.538 -5.903 -4.825 308 HD2 ARG 38 HD2 ARG 38 9.315 -8.080 -4.230 309 HD3 ARG 38 HD3 ARG 38 10.298 -8.189 -5.687 310 HE ARG 38 HE ARG 38 10.898 -6.129 -3.682 311 HH11 ARG 38 HH11 ARG 38 11.806 -8.987 -5.479 312 HH12 ARG 38 HH12 ARG 38 13.451 -8.977 -4.916 313 HH21 ARG 38 HH21 ARG 38 13.053 -6.063 -2.962 314 HH22 ARG 38 HH22 ARG 38 14.169 -7.305 -3.480 315 H LYS 39 H LYS 39 5.411 -7.594 -8.249 316 HA LYS 39 HA LYS 39 6.799 -8.566 -10.468 317 HB2 LYS 39 HB2 LYS 39 4.628 -9.336 -9.038 318 HB3 LYS 39 HB3 LYS 39 3.861 -8.739 -10.502 319 HG2 LYS 39 HG2 LYS 39 6.027 -10.823 -10.402 320 HG3 LYS 39 HG3 LYS 39 4.301 -11.142 -10.590 321 HD2 LYS 39 HD2 LYS 39 6.033 -9.554 -12.476 322 HD3 LYS 39 HD3 LYS 39 5.452 -11.190 -12.723 323 HE2 LYS 39 HE2 LYS 39 3.122 -10.315 -12.570 324 HE3 LYS 39 HE3 LYS 39 3.799 -8.691 -12.524 325 HZ1 LYS 39 HZ1 LYS 39 3.108 -9.278 -14.752 326 HZ2 LYS 39 HZ2 LYS 39 4.127 -10.638 -14.743 327 HZ3 LYS 39 HZ3 LYS 39 4.795 -9.079 -14.694 328 H PHE 40 H PHE 40 3.930 -6.428 -10.376 329 HA PHE 40 HA PHE 40 3.898 -6.101 -13.182 330 HB2 PHE 40 HB2 PHE 40 1.896 -5.738 -11.821 331 HB3 PHE 40 HB3 PHE 40 2.662 -4.353 -11.044 332 HD1 PHE 40 HD2 PHE 40 1.541 -5.639 -14.338 333 HD2 PHE 40 HD1 PHE 40 2.491 -2.225 -11.982 334 HE1 PHE 40 HE2 PHE 40 0.708 -4.176 -16.129 335 HE2 PHE 40 HE1 PHE 40 1.660 -0.754 -13.771 336 HZ PHE 40 HZ PHE 40 0.768 -1.730 -15.848 337 H LYS 41 H LYS 41 5.097 -4.053 -10.568 338 HA LYS 41 HA LYS 41 7.184 -2.884 -11.982 339 HB2 LYS 41 HB2 LYS 41 5.383 -1.862 -13.357 340 HB3 LYS 41 HB3 LYS 41 4.721 -1.120 -11.907 341 HG2 LYS 41 HG2 LYS 41 6.826 0.125 -11.618 342 HG3 LYS 41 HG3 LYS 41 7.420 -0.576 -13.125 343 HD2 LYS 41 HD2 LYS 41 4.956 1.139 -12.839 344 HD3 LYS 41 HD3 LYS 41 6.517 1.687 -13.452 345 HE2 LYS 41 HE2 LYS 41 6.348 0.044 -15.278 346 HE3 LYS 41 HE3 LYS 41 4.761 -0.441 -14.677 347 HZ1 LYS 41 HZ1 LYS 41 5.489 2.280 -15.641 348 HZ2 LYS 41 HZ2 LYS 41 3.961 1.805 -15.078 349 HZ3 LYS 41 HZ3 LYS 41 4.583 1.135 -16.507 350 H GLU 42 H GLU 42 8.332 -2.885 -10.157 351 HA GLU 42 HA GLU 42 7.362 -2.325 -7.603 352 HB2 GLU 42 HB2 GLU 42 9.887 -1.968 -7.114 353 HB3 GLU 42 HB3 GLU 42 9.311 -3.555 -7.604 354 HG2 GLU 42 HG2 GLU 42 9.946 -2.857 -9.972 355 HG3 GLU 42 HG3 GLU 42 10.837 -1.539 -9.208 356 H TYR 43 H TYR 43 9.440 -0.203 -9.631 357 HA TYR 43 HA TYR 43 9.399 2.045 -9.957 358 HB2 TYR 43 HB2 TYR 43 6.944 1.360 -10.360 359 HB3 TYR 43 HB3 TYR 43 6.623 2.060 -8.782 360 HD1 TYR 43 HD1 TYR 43 8.568 3.102 -11.818 361 HD2 TYR 43 HD2 TYR 43 5.650 4.141 -8.898 362 HE1 TYR 43 HE1 TYR 43 8.309 5.312 -12.866 363 HE2 TYR 43 HE2 TYR 43 5.388 6.354 -9.937 364 HH TYR 43 HH TYR 43 6.552 7.872 -11.370 365 H CYS 44 H CYS 44 8.197 4.115 -8.542 366 HA CYS 44 HA CYS 44 8.187 5.397 -6.678 367 HB2 CYS 44 HB2 CYS 44 9.175 2.979 -5.156 368 HB3 CYS 44 HB3 CYS 44 8.535 4.463 -4.462 369 HG CYS 44 HG CYS 44 6.485 2.810 -6.572 370 H GLU 45 H GLU 45 10.960 3.257 -6.017 371 HA GLU 45 HA GLU 45 13.157 3.666 -5.660 372 HB2 GLU 45 HB2 GLU 45 13.115 4.504 -7.972 373 HB3 GLU 45 HB3 GLU 45 12.689 6.104 -7.384 374 HG2 GLU 45 HG2 GLU 45 15.036 5.994 -7.943 375 HG3 GLU 45 HG3 GLU 45 14.826 6.241 -6.209 376 H GLY 46 H GLY 46 11.992 7.038 -5.771 377 HA2 GLY 46 HA2 GLY 46 12.573 7.279 -2.907 378 HA3 GLY 46 HA3 GLY 46 13.442 8.322 -4.023 379 H LEU 47 H LEU 47 10.058 7.266 -3.928 380 HA LEU 47 HA LEU 47 9.024 9.821 -4.560 381 HB2 LEU 47 HB2 LEU 47 7.841 7.694 -4.986 382 HB3 LEU 47 HB3 LEU 47 7.656 7.458 -3.262 383 HG LEU 47 HG LEU 47 6.533 9.963 -4.398 384 HD11 LEU 47 HD11 LEU 47 4.488 8.783 -5.087 385 HD12 LEU 47 HD12 LEU 47 5.295 7.240 -4.805 386 HD13 LEU 47 HD13 LEU 47 5.877 8.323 -6.069 387 HD21 LEU 47 HD21 LEU 47 6.378 9.460 -2.007 388 HD22 LEU 47 HD22 LEU 47 5.555 7.944 -2.376 389 HD23 LEU 47 HD23 LEU 47 4.780 9.482 -2.756 390 H GLN 48 H GLN 48 8.497 11.528 -3.267 391 HA GLN 48 HA GLN 48 9.365 11.279 -0.494 392 HB2 GLN 48 HB2 GLN 48 8.847 13.714 -2.199 393 HB3 GLN 48 HB3 GLN 48 9.412 13.748 -0.541 394 HG2 GLN 48 HG2 GLN 48 10.874 12.559 -2.883 395 HG3 GLN 48 HG3 GLN 48 11.237 14.094 -2.099 396 HE21 GLN 48 HE21 GLN 48 11.513 10.654 -1.933 397 HE22 GLN 48 HE22 GLN 48 12.566 10.596 -0.559 398 H PHE 49 H PHE 49 8.221 12.861 1.017 399 HA PHE 49 HA PHE 49 5.628 11.977 1.519 400 HB2 PHE 49 HB2 PHE 49 5.574 13.736 3.232 401 HB3 PHE 49 HB3 PHE 49 7.117 12.896 3.230 402 HD1 PHE 49 HD1 PHE 49 9.130 13.995 2.326 403 HD2 PHE 49 HD2 PHE 49 5.433 16.062 2.755 404 HE1 PHE 49 HE1 PHE 49 10.311 16.139 2.117 405 HE2 PHE 49 HE2 PHE 49 6.611 18.213 2.544 406 HZ PHE 49 HZ PHE 49 9.053 18.253 2.224 407 H HIS 50 H HIS 50 6.799 14.652 -0.323 408 HA HIS 50 HA HIS 50 4.464 16.227 -0.402 409 HB2 HIS 50 HB2 HIS 50 6.780 16.977 -1.043 410 HB3 HIS 50 HB3 HIS 50 6.603 16.064 -2.537 411 HD1 HIS 50 HD1 HIS 50 5.780 19.287 -0.958 412 HD2 HIS 50 HD2 HIS 50 4.626 17.145 -4.335 413 HE1 HIS 50 HE1 HIS 50 4.560 20.928 -2.423 414 HE2 HIS 50 HE2 HIS 50 3.675 19.549 -4.339 415 H GLU 51 H GLU 51 5.439 13.400 -2.195 416 HA GLU 51 HA GLU 51 3.375 13.763 -4.204 417 HB2 GLU 51 HB2 GLU 51 5.425 11.603 -3.736 418 HB3 GLU 51 HB3 GLU 51 4.188 11.478 -4.975 419 HG2 GLU 51 HG2 GLU 51 6.268 12.227 -5.933 420 HG3 GLU 51 HG3 GLU 51 5.053 13.497 -6.043 421 H LEU 52 H LEU 52 3.772 12.220 -1.174 422 HA LEU 52 HA LEU 52 1.712 10.239 -1.611 423 HB2 LEU 52 HB2 LEU 52 3.876 10.193 -0.065 424 HB3 LEU 52 HB3 LEU 52 2.769 10.883 1.102 425 HG LEU 52 HG LEU 52 2.976 8.443 1.334 426 HD11 LEU 52 HD11 LEU 52 0.601 7.905 1.387 427 HD12 LEU 52 HD12 LEU 52 0.250 9.326 0.402 428 HD13 LEU 52 HD13 LEU 52 0.906 9.519 2.025 429 HD21 LEU 52 HD21 LEU 52 3.404 7.893 -1.005 430 HD22 LEU 52 HD22 LEU 52 1.753 8.350 -1.421 431 HD23 LEU 52 HD23 LEU 52 2.045 6.964 -0.371 432 H THR 53 H THR 53 -0.142 11.411 -2.031 433 HA THR 53 HA THR 53 -1.230 12.957 0.229 434 HB THR 53 HB THR 53 -2.377 14.408 -1.432 435 HG1 THR 53 HG1 THR 53 -1.039 14.165 -3.607 436 HG21 THR 53 HG21 THR 53 -0.401 15.717 -2.092 437 HG22 THR 53 HG22 THR 53 0.637 14.349 -1.682 438 HG23 THR 53 HG23 THR 53 -0.284 15.167 -0.421 439 H GLU 54 H GLU 54 -3.708 13.320 -0.238 440 HA GLU 54 HA GLU 54 -5.097 10.891 -0.390 441 HB2 GLU 54 HB2 GLU 54 -6.041 12.923 0.646 442 HB3 GLU 54 HB3 GLU 54 -6.083 13.707 -0.925 443 HG2 GLU 54 HG2 GLU 54 -7.516 11.469 -1.436 444 HG3 GLU 54 HG3 GLU 54 -7.912 11.745 0.259 445 H ASP 55 H ASP 55 -4.381 13.411 -2.738 446 HA ASP 55 HA ASP 55 -5.858 12.416 -4.893 447 HB2 ASP 55 HB2 ASP 55 -4.967 14.655 -4.985 448 HB3 ASP 55 HB3 ASP 55 -3.316 14.049 -4.888 449 H PHE 56 H PHE 56 -2.523 11.740 -3.884 450 HA PHE 56 HA PHE 56 -1.780 10.149 -6.057 451 HB2 PHE 56 HB2 PHE 56 -0.192 10.893 -4.313 452 HB3 PHE 56 HB3 PHE 56 -0.958 9.801 -3.162 453 HD1 PHE 56 HD2 PHE 56 1.159 10.029 -6.138 454 HD2 PHE 56 HD1 PHE 56 -0.538 7.424 -3.226 455 HE1 PHE 56 HE2 PHE 56 2.676 8.234 -6.862 456 HE2 PHE 56 HE1 PHE 56 0.981 5.628 -3.944 457 HZ PHE 56 HZ PHE 56 2.589 6.029 -5.765 458 H LEU 57 H LEU 57 -3.190 9.173 -2.950 459 HA LEU 57 HA LEU 57 -3.461 6.448 -3.537 460 HB2 LEU 57 HB2 LEU 57 -4.673 8.348 -1.573 461 HB3 LEU 57 HB3 LEU 57 -5.371 6.742 -1.732 462 HG LEU 57 HG LEU 57 -3.760 6.889 0.115 463 HD11 LEU 57 HD11 LEU 57 -2.880 5.130 -2.166 464 HD12 LEU 57 HD12 LEU 57 -4.103 4.747 -0.954 465 HD13 LEU 57 HD13 LEU 57 -2.414 4.920 -0.478 466 HD21 LEU 57 HD21 LEU 57 -2.259 8.572 -0.824 467 HD22 LEU 57 HD22 LEU 57 -1.704 7.406 -2.026 468 HD23 LEU 57 HD23 LEU 57 -1.380 7.131 -0.314 469 H ARG 58 H ARG 58 -5.641 9.165 -3.990 470 HA ARG 58 HA ARG 58 -7.872 7.690 -4.906 471 HB2 ARG 58 HB2 ARG 58 -8.426 9.802 -4.171 472 HB3 ARG 58 HB3 ARG 58 -7.020 10.547 -4.908 473 HG2 ARG 58 HG2 ARG 58 -8.931 9.478 -6.841 474 HG3 ARG 58 HG3 ARG 58 -9.580 10.758 -5.811 475 HD2 ARG 58 HD2 ARG 58 -7.609 12.149 -6.392 476 HD3 ARG 58 HD3 ARG 58 -7.087 10.888 -7.506 477 HE ARG 58 HE ARG 58 -9.768 11.853 -7.960 478 HH11 ARG 58 HH11 ARG 58 -6.379 12.398 -8.626 479 HH12 ARG 58 HH12 ARG 58 -6.668 13.134 -10.172 480 HH21 ARG 58 HH21 ARG 58 -10.164 12.871 -9.957 481 HH22 ARG 58 HH22 ARG 58 -8.827 13.409 -10.927 482 H ASP 59 H ASP 59 -5.211 9.288 -6.602 483 HA ASP 59 HA ASP 59 -6.228 8.781 -9.218 484 HB2 ASP 59 HB2 ASP 59 -4.714 10.636 -8.821 485 HB3 ASP 59 HB3 ASP 59 -3.461 9.537 -8.257 486 H TYR 60 H TYR 60 -3.953 7.135 -7.090 487 HA TYR 60 HA TYR 60 -2.990 5.235 -8.918 488 HB2 TYR 60 HB2 TYR 60 -2.089 5.716 -6.607 489 HB3 TYR 60 HB3 TYR 60 -3.436 4.788 -5.960 490 HD1 TYR 60 HD2 TYR 60 -0.311 4.606 -7.891 491 HD2 TYR 60 HD1 TYR 60 -3.432 2.384 -6.042 492 HE1 TYR 60 HE2 TYR 60 1.023 2.551 -8.123 493 HE2 TYR 60 HE1 TYR 60 -2.107 0.326 -6.268 494 HH TYR 60 HH TYR 60 1.194 0.337 -7.093 495 H LEU 61 H LEU 61 -5.839 5.274 -6.847 496 HA LEU 61 HA LEU 61 -6.792 2.686 -7.452 497 HB2 LEU 61 HB2 LEU 61 -7.672 3.784 -5.570 498 HB3 LEU 61 HB3 LEU 61 -8.104 5.210 -6.485 499 HG LEU 61 HG LEU 61 -9.862 3.894 -7.641 500 HD11 LEU 61 HD11 LEU 61 -10.515 1.728 -6.756 501 HD12 LEU 61 HD12 LEU 61 -9.142 1.752 -5.651 502 HD13 LEU 61 HD13 LEU 61 -8.872 1.679 -7.394 503 HD21 LEU 61 HD21 LEU 61 -11.395 3.787 -5.731 504 HD22 LEU 61 HD22 LEU 61 -10.422 5.258 -5.712 505 HD23 LEU 61 HD23 LEU 61 -10.023 3.925 -4.631 506 H ILE 62 H ILE 62 -7.559 5.862 -8.815 507 HA ILE 62 HA ILE 62 -9.345 5.037 -10.797 508 HB ILE 62 HB ILE 62 -7.372 7.327 -10.882 509 HG12 ILE 62 HG12 ILE 62 -10.322 7.243 -10.189 510 HG13 ILE 62 HG13 ILE 62 -9.005 7.410 -9.031 511 HG21 ILE 62 HG21 ILE 62 -8.075 6.756 -13.133 512 HG22 ILE 62 HG22 ILE 62 -8.821 8.274 -12.632 513 HG23 ILE 62 HG23 ILE 62 -9.766 6.785 -12.638 514 HD11 ILE 62 HD11 ILE 62 -8.385 9.539 -10.051 515 HD12 ILE 62 HD12 ILE 62 -10.051 9.546 -9.471 516 HD13 ILE 62 HD13 ILE 62 -9.717 9.374 -11.195 517 H TYR 63 H TYR 63 -5.814 5.336 -10.922 518 HA TYR 63 HA TYR 63 -5.445 4.555 -13.599 519 HB2 TYR 63 HB2 TYR 63 -3.808 5.524 -11.741 520 HB3 TYR 63 HB3 TYR 63 -3.438 3.820 -11.506 521 HD1 TYR 63 HD2 TYR 63 -3.411 6.575 -13.963 522 HD2 TYR 63 HD1 TYR 63 -2.050 2.651 -13.038 523 HE1 TYR 63 HE2 TYR 63 -1.821 6.694 -15.830 524 HE2 TYR 63 HE1 TYR 63 -0.450 2.763 -14.904 525 HH TYR 63 HH TYR 63 0.355 5.658 -16.445 526 H MET 64 H MET 64 -5.614 2.724 -10.603 527 HA MET 64 HA MET 64 -5.069 0.143 -11.522 528 HB2 MET 64 HB2 MET 64 -5.285 0.794 -9.146 529 HB3 MET 64 HB3 MET 64 -7.007 1.037 -9.375 530 HG2 MET 64 HG2 MET 64 -7.005 -1.033 -8.442 531 HG3 MET 64 HG3 MET 64 -6.935 -1.464 -10.151 532 HE1 MET 64 HE1 MET 64 -3.288 -1.399 -7.341 533 HE2 MET 64 HE2 MET 64 -4.931 -0.975 -6.849 534 HE3 MET 64 HE3 MET 64 -4.052 0.060 -7.973 535 H LYS 65 H LYS 65 -8.061 1.970 -11.396 536 HA LYS 65 HA LYS 65 -9.738 -0.177 -12.267 537 HB2 LYS 65 HB2 LYS 65 -10.471 1.672 -10.785 538 HB3 LYS 65 HB3 LYS 65 -10.276 2.794 -12.120 539 HG2 LYS 65 HG2 LYS 65 -12.013 1.569 -13.367 540 HG3 LYS 65 HG3 LYS 65 -12.247 0.525 -11.961 541 HD2 LYS 65 HD2 LYS 65 -12.785 2.520 -10.612 542 HD3 LYS 65 HD3 LYS 65 -12.624 3.514 -12.059 543 HE2 LYS 65 HE2 LYS 65 -14.448 2.260 -13.114 544 HE3 LYS 65 HE3 LYS 65 -14.621 1.289 -11.651 545 HZ1 LYS 65 HZ1 LYS 65 -16.241 3.042 -11.640 546 HZ2 LYS 65 HZ2 LYS 65 -15.048 4.220 -11.895 547 HZ3 LYS 65 HZ3 LYS 65 -15.096 3.364 -10.432 548 H LYS 66 H LYS 66 -8.292 2.657 -13.801 549 HA LYS 66 HA LYS 66 -9.692 2.247 -16.286 550 HB2 LYS 66 HB2 LYS 66 -7.422 4.091 -15.529 551 HB3 LYS 66 HB3 LYS 66 -8.255 4.121 -17.073 552 HG2 LYS 66 HG2 LYS 66 -9.629 4.550 -14.436 553 HG3 LYS 66 HG3 LYS 66 -8.976 5.856 -15.428 554 HD2 LYS 66 HD2 LYS 66 -10.437 5.159 -17.276 555 HD3 LYS 66 HD3 LYS 66 -11.098 3.876 -16.258 556 HE2 LYS 66 HE2 LYS 66 -11.989 5.502 -14.716 557 HE3 LYS 66 HE3 LYS 66 -11.221 6.817 -15.606 558 HZ1 LYS 66 HZ1 LYS 66 -13.567 6.637 -16.140 559 HZ2 LYS 66 HZ2 LYS 66 -13.352 5.033 -16.659 560 HZ3 LYS 66 HZ3 LYS 66 -12.614 6.307 -17.504 561 H THR 67 H THR 67 -6.225 2.263 -15.423 562 HA THR 67 HA THR 67 -5.545 1.321 -18.045 563 HB THR 67 HB THR 67 -3.683 1.656 -15.694 564 HG1 THR 67 HG1 THR 67 -4.817 3.563 -17.483 565 HG21 THR 67 HG21 THR 67 -3.250 1.858 -18.683 566 HG22 THR 67 HG22 THR 67 -2.738 0.519 -17.655 567 HG23 THR 67 HG23 THR 67 -2.022 2.115 -17.442 568 H LEU 68 H LEU 68 -5.777 -0.116 -14.826 569 HA LEU 68 HA LEU 68 -4.405 -2.501 -15.799 570 HB2 LEU 68 HB2 LEU 68 -5.367 -1.741 -13.046 571 HB3 LEU 68 HB3 LEU 68 -4.619 -3.279 -13.428 572 HG LEU 68 HG LEU 68 -3.306 -0.574 -13.703 573 HD11 LEU 68 HD11 LEU 68 -2.834 -2.802 -11.726 574 HD12 LEU 68 HD12 LEU 68 -3.624 -1.262 -11.378 575 HD13 LEU 68 HD13 LEU 68 -1.920 -1.298 -11.839 576 HD21 LEU 68 HD21 LEU 68 -2.215 -3.354 -14.128 577 HD22 LEU 68 HD22 LEU 68 -1.273 -1.862 -14.160 578 HD23 LEU 68 HD23 LEU 68 -2.513 -2.148 -15.382 579 H CYS 69 H CYS 69 -7.128 -2.471 -13.520 580 HA CYS 69 HA CYS 69 -9.043 -3.784 -15.072 581 HB2 CYS 69 HB2 CYS 69 -6.974 -5.603 -13.866 582 HB3 CYS 69 HB3 CYS 69 -8.641 -6.143 -13.997 583 HG CYS 69 HG CYS 69 -7.211 -4.963 -16.817 584 H ASN 70 H ASN 70 -7.462 -3.630 -11.920 585 HA ASN 70 HA ASN 70 -9.569 -4.903 -10.520 586 HB2 ASN 70 HB2 ASN 70 -7.336 -3.217 -9.392 587 HB3 ASN 70 HB3 ASN 70 -8.353 -4.337 -8.490 588 HD21 ASN 70 HD21 ASN 70 -5.654 -3.971 -10.548 589 HD22 ASN 70 HD22 ASN 70 -5.157 -5.625 -10.572 590 H ALA 71 H ALA 71 -10.933 -4.049 -8.922 591 HA ALA 71 HA ALA 71 -11.885 -1.361 -9.587 592 HB1 ALA 71 HB1 ALA 71 -13.968 -2.028 -8.514 593 HB2 ALA 71 HB2 ALA 71 -13.243 -3.562 -8.036 594 HB3 ALA 71 HB3 ALA 71 -13.491 -3.201 -9.742 595 H ASP 72 H ASP 72 -13.282 -0.692 -7.369 596 HA ASP 72 HA ASP 72 -11.446 0.707 -5.863 597 HB2 ASP 72 HB2 ASP 72 -13.424 0.903 -4.190 598 HB3 ASP 72 HB3 ASP 72 -13.595 1.572 -5.805 599 H SER 73 H SER 73 -13.410 -1.945 -4.469 600 HA SER 73 HA SER 73 -11.972 -2.092 -2.090 601 HB2 SER 73 HB2 SER 73 -14.215 -3.098 -2.461 602 HB3 SER 73 HB3 SER 73 -13.464 -4.356 -3.440 603 HG SER 73 HG SER 73 -13.208 -3.872 -0.656 604 H THR 74 H THR 74 -11.486 -3.844 -5.126 605 HA THR 74 HA THR 74 -9.539 -5.650 -4.276 606 HB THR 74 HB THR 74 -9.355 -4.408 -6.996 607 HG1 THR 74 HG1 THR 74 -11.186 -5.939 -7.494 608 HG21 THR 74 HG21 THR 74 -9.061 -6.755 -7.658 609 HG22 THR 74 HG22 THR 74 -9.315 -7.254 -5.985 610 HG23 THR 74 HG23 THR 74 -7.904 -6.288 -6.412 611 H ALA 75 H ALA 75 -9.230 -2.338 -5.509 612 HA ALA 75 HA ALA 75 -6.385 -2.277 -5.359 613 HB1 ALA 75 HB1 ALA 75 -8.323 0.033 -5.409 614 HB2 ALA 75 HB2 ALA 75 -7.672 -0.787 -6.828 615 HB3 ALA 75 HB3 ALA 75 -6.594 0.104 -5.752 616 H GLN 76 H GLN 76 -8.993 -1.343 -3.159 617 HA GLN 76 HA GLN 76 -7.467 -0.051 -1.208 618 HB2 GLN 76 HB2 GLN 76 -10.052 -1.588 -1.143 619 HB3 GLN 76 HB3 GLN 76 -9.378 -0.874 0.305 620 HG2 GLN 76 HG2 GLN 76 -9.883 0.739 -2.165 621 HG3 GLN 76 HG3 GLN 76 -11.135 0.467 -0.955 622 HE21 GLN 76 HE21 GLN 76 -8.115 2.019 -1.663 623 HE22 GLN 76 HE22 GLN 76 -8.095 3.068 -0.292 624 H ARG 77 H ARG 77 -8.188 -3.471 -1.703 625 HA ARG 77 HA ARG 77 -6.999 -4.512 0.605 626 HB2 ARG 77 HB2 ARG 77 -7.092 -5.712 -2.171 627 HB3 ARG 77 HB3 ARG 77 -6.712 -6.595 -0.700 628 HG2 ARG 77 HG2 ARG 77 -9.332 -5.247 -1.320 629 HG3 ARG 77 HG3 ARG 77 -9.004 -6.980 -1.405 630 HD2 ARG 77 HD2 ARG 77 -8.424 -6.918 1.007 631 HD3 ARG 77 HD3 ARG 77 -8.933 -5.233 1.050 632 HE ARG 77 HE ARG 77 -11.076 -6.595 0.004 633 HH11 ARG 77 HH11 ARG 77 -9.200 -6.792 2.956 634 HH12 ARG 77 HH12 ARG 77 -10.523 -7.365 3.917 635 HH21 ARG 77 HH21 ARG 77 -12.841 -7.317 1.277 636 HH22 ARG 77 HH22 ARG 77 -12.591 -7.670 2.961 637 H ASN 78 H ASN 78 -5.632 -3.593 -2.488 638 HA ASN 78 HA ASN 78 -2.995 -4.497 -1.828 639 HB2 ASN 78 HB2 ASN 78 -4.134 -2.942 -4.135 640 HB3 ASN 78 HB3 ASN 78 -2.397 -3.176 -3.952 641 HD21 ASN 78 HD21 ASN 78 -5.449 -4.723 -4.634 642 HD22 ASN 78 HD22 ASN 78 -4.777 -6.209 -5.206 643 H LEU 79 H LEU 79 -4.666 -1.406 -1.845 644 HA LEU 79 HA LEU 79 -2.418 0.246 -1.474 645 HB2 LEU 79 HB2 LEU 79 -5.340 0.616 -0.890 646 HB3 LEU 79 HB3 LEU 79 -4.167 1.852 -0.481 647 HG LEU 79 HG LEU 79 -4.722 0.802 -3.257 648 HD11 LEU 79 HD11 LEU 79 -5.333 3.472 -2.006 649 HD12 LEU 79 HD12 LEU 79 -6.512 2.213 -2.366 650 HD13 LEU 79 HD13 LEU 79 -5.644 3.010 -3.679 651 HD21 LEU 79 HD21 LEU 79 -3.235 2.611 -3.990 652 HD22 LEU 79 HD22 LEU 79 -2.392 1.402 -3.021 653 HD23 LEU 79 HD23 LEU 79 -2.841 2.951 -2.304 654 H SER 80 H SER 80 -4.216 -1.700 0.749 655 HA SER 80 HA SER 80 -3.572 -0.618 3.193 656 HB2 SER 80 HB2 SER 80 -3.571 -3.549 2.439 657 HB3 SER 80 HB3 SER 80 -3.692 -2.910 4.079 658 HG SER 80 HG SER 80 -5.705 -2.275 3.712 659 H THR 81 H THR 81 -1.429 -2.192 0.921 660 HA THR 81 HA THR 81 0.683 -2.833 2.677 661 HB THR 81 HB THR 81 2.123 -2.805 0.640 662 HG1 THR 81 HG1 THR 81 -0.184 -2.293 -0.908 663 HG21 THR 81 HG21 THR 81 0.947 -4.620 -0.537 664 HG22 THR 81 HG22 THR 81 -0.529 -4.219 0.340 665 HG23 THR 81 HG23 THR 81 0.880 -4.820 1.213 666 H ILE 82 H ILE 82 0.276 -0.047 0.508 667 HA ILE 82 HA ILE 82 2.531 1.392 1.323 668 HB ILE 82 HB ILE 82 -0.080 2.538 0.308 669 HG12 ILE 82 HG12 ILE 82 2.343 1.589 -1.246 670 HG13 ILE 82 HG13 ILE 82 0.801 0.743 -1.154 671 HG21 ILE 82 HG21 ILE 82 2.734 3.621 0.225 672 HG22 ILE 82 HG22 ILE 82 1.408 4.227 1.218 673 HG23 ILE 82 HG23 ILE 82 1.327 4.363 -0.539 674 HD11 ILE 82 HD11 ILE 82 1.255 3.466 -2.349 675 HD12 ILE 82 HD12 ILE 82 -0.293 2.624 -2.258 676 HD13 ILE 82 HD13 ILE 82 1.015 1.962 -3.239 677 H LYS 83 H LYS 83 -0.771 1.347 2.541 678 HA LYS 83 HA LYS 83 -0.661 3.443 4.377 679 HB2 LYS 83 HB2 LYS 83 -2.746 2.356 3.830 680 HB3 LYS 83 HB3 LYS 83 -2.170 0.828 4.473 681 HG2 LYS 83 HG2 LYS 83 -3.767 1.906 5.964 682 HG3 LYS 83 HG3 LYS 83 -2.186 1.736 6.721 683 HD2 LYS 83 HD2 LYS 83 -1.710 4.059 6.407 684 HD3 LYS 83 HD3 LYS 83 -3.134 4.270 5.385 685 HE2 LYS 83 HE2 LYS 83 -4.608 3.966 7.212 686 HE3 LYS 83 HE3 LYS 83 -3.320 3.355 8.243 687 HZ1 LYS 83 HZ1 LYS 83 -3.378 6.147 7.213 688 HZ2 LYS 83 HZ2 LYS 83 -2.395 5.509 8.445 689 HZ3 LYS 83 HZ3 LYS 83 -4.061 5.681 8.692 690 H ILE 84 H ILE 84 0.412 0.090 4.771 691 HA ILE 84 HA ILE 84 0.985 0.247 7.515 692 HB ILE 84 HB ILE 84 2.356 -1.405 5.384 693 HG12 ILE 84 HG12 ILE 84 -0.041 -1.866 5.562 694 HG13 ILE 84 HG13 ILE 84 0.896 -3.222 6.178 695 HG21 ILE 84 HG21 ILE 84 3.809 -1.294 7.276 696 HG22 ILE 84 HG22 ILE 84 3.023 -2.873 7.283 697 HG23 ILE 84 HG23 ILE 84 2.475 -1.610 8.385 698 HD11 ILE 84 HD11 ILE 84 -0.473 -1.124 7.843 699 HD12 ILE 84 HD12 ILE 84 0.465 -2.483 8.460 700 HD13 ILE 84 HD13 ILE 84 -1.034 -2.774 7.576 701 H TYR 85 H TYR 85 3.060 0.959 4.701 702 HA TYR 85 HA TYR 85 5.365 1.511 6.285 703 HB2 TYR 85 HB2 TYR 85 5.517 0.826 3.918 704 HB3 TYR 85 HB3 TYR 85 4.762 2.344 3.436 705 HD1 TYR 85 HD2 TYR 85 7.818 0.789 4.752 706 HD2 TYR 85 HD1 TYR 85 6.009 4.419 3.472 707 HE1 TYR 85 HE2 TYR 85 10.029 1.861 4.677 708 HE2 TYR 85 HE1 TYR 85 8.213 5.499 3.398 709 HH TYR 85 HH TYR 85 10.410 5.270 4.265 710 H VAL 86 H VAL 86 3.006 3.562 4.617 711 HA VAL 86 HA VAL 86 4.111 6.038 5.353 712 HB VAL 86 HB VAL 86 1.259 5.288 4.686 713 HG11 VAL 86 HG11 VAL 86 2.488 8.040 4.886 714 HG12 VAL 86 HG12 VAL 86 1.284 7.365 5.981 715 HG13 VAL 86 HG13 VAL 86 0.867 7.675 4.296 716 HG21 VAL 86 HG21 VAL 86 3.470 6.532 3.053 717 HG22 VAL 86 HG22 VAL 86 1.806 6.314 2.510 718 HG23 VAL 86 HG23 VAL 86 2.808 4.906 2.869 719 H SER 87 H SER 87 1.711 3.972 6.909 720 HA SER 87 HA SER 87 0.947 5.618 9.015 721 HB2 SER 87 HB2 SER 87 1.048 2.671 8.555 722 HB3 SER 87 HB3 SER 87 0.634 3.264 10.168 723 HG SER 87 HG SER 87 -0.705 3.511 7.727 724 H ALA 88 H ALA 88 3.691 3.367 8.796 725 HA ALA 88 HA ALA 88 4.598 3.668 11.444 726 HB1 ALA 88 HB1 ALA 88 6.196 3.040 8.964 727 HB2 ALA 88 HB2 ALA 88 5.347 1.866 9.969 728 HB3 ALA 88 HB3 ALA 88 6.714 2.765 10.627 729 H ALA 89 H ALA 89 5.236 5.476 8.500 730 HA ALA 89 HA ALA 89 7.260 7.152 9.602 731 HB1 ALA 89 HB1 ALA 89 6.994 8.489 7.575 732 HB2 ALA 89 HB2 ALA 89 5.538 7.582 7.167 733 HB3 ALA 89 HB3 ALA 89 7.103 6.770 7.197 734 H ILE 90 H ILE 90 3.773 7.392 9.302 735 HA ILE 90 HA ILE 90 3.603 10.097 10.113 736 HB ILE 90 HB ILE 90 1.530 7.906 10.334 737 HG12 ILE 90 HG12 ILE 90 1.880 10.073 8.252 738 HG13 ILE 90 HG13 ILE 90 2.312 8.382 8.027 739 HG21 ILE 90 HG21 ILE 90 1.229 10.899 10.562 740 HG22 ILE 90 HG22 ILE 90 0.999 9.718 11.851 741 HG23 ILE 90 HG23 ILE 90 -0.106 9.750 10.476 742 HD11 ILE 90 HD11 ILE 90 0.201 8.874 6.972 743 HD12 ILE 90 HD12 ILE 90 -0.452 9.468 8.497 744 HD13 ILE 90 HD13 ILE 90 -0.038 7.763 8.319 745 H LYS 91 H LYS 91 3.539 7.030 11.838 746 HA LYS 91 HA LYS 91 2.802 8.017 14.356 747 HB2 LYS 91 HB2 LYS 91 2.793 5.620 13.717 748 HB3 LYS 91 HB3 LYS 91 4.550 5.626 13.752 749 HG2 LYS 91 HG2 LYS 91 3.463 4.677 15.782 750 HG3 LYS 91 HG3 LYS 91 4.584 6.004 16.100 751 HD2 LYS 91 HD2 LYS 91 2.724 7.556 16.305 752 HD3 LYS 91 HD3 LYS 91 1.585 6.276 15.894 753 HE2 LYS 91 HE2 LYS 91 2.051 5.106 17.913 754 HE3 LYS 91 HE3 LYS 91 3.422 6.154 18.272 755 HZ1 LYS 91 HZ1 LYS 91 0.589 7.055 18.162 756 HZ2 LYS 91 HZ2 LYS 91 1.927 7.989 18.614 757 HZ3 LYS 91 HZ3 LYS 91 1.440 6.691 19.584 758 H LYS 92 H LYS 92 5.976 7.681 12.830 759 HA LYS 92 HA LYS 92 7.344 8.684 15.145 760 HB2 LYS 92 HB2 LYS 92 8.500 7.186 13.583 761 HB3 LYS 92 HB3 LYS 92 8.342 8.385 12.305 762 HG2 LYS 92 HG2 LYS 92 10.589 8.290 13.417 763 HG3 LYS 92 HG3 LYS 92 9.822 9.882 13.410 764 HD2 LYS 92 HD2 LYS 92 8.974 9.370 15.720 765 HD3 LYS 92 HD3 LYS 92 9.988 7.928 15.702 766 HE2 LYS 92 HE2 LYS 92 11.973 9.203 15.601 767 HE3 LYS 92 HE3 LYS 92 11.090 10.679 15.204 768 HZ1 LYS 92 HZ1 LYS 92 11.827 10.619 17.526 769 HZ2 LYS 92 HZ2 LYS 92 10.889 9.234 17.794 770 HZ3 LYS 92 HZ3 LYS 92 10.140 10.703 17.398 771 H GLY 93 H GLY 93 6.275 10.031 12.051 772 HA2 GLY 93 HA2 GLY 93 5.335 12.318 12.292 773 HA3 GLY 93 HA3 GLY 93 6.780 12.704 13.211 774 H TYR 94 H TYR 94 7.313 10.656 10.526 775 HA TYR 94 HA TYR 94 8.712 12.746 9.117 776 HB2 TYR 94 HB2 TYR 94 9.451 10.306 9.227 777 HB3 TYR 94 HB3 TYR 94 8.143 9.956 8.100 778 HD1 TYR 94 HD1 TYR 94 11.325 11.773 8.519 779 HD2 TYR 94 HD2 TYR 94 8.362 10.442 5.776 780 HE1 TYR 94 HE1 TYR 94 12.810 12.356 6.649 781 HE2 TYR 94 HE2 TYR 94 9.834 11.020 3.891 782 HH TYR 94 HH TYR 94 11.766 12.557 3.448 783 H MET 95 H MET 95 5.803 10.808 8.681 784 HA MET 95 HA MET 95 4.895 12.595 6.556 785 HB2 MET 95 HB2 MET 95 3.970 9.919 7.575 786 HB3 MET 95 HB3 MET 95 2.917 10.923 6.595 787 HG2 MET 95 HG2 MET 95 5.656 10.028 5.744 788 HG3 MET 95 HG3 MET 95 4.164 9.182 5.334 789 HE1 MET 95 HE1 MET 95 2.294 11.844 3.146 790 HE2 MET 95 HE2 MET 95 2.143 11.621 4.888 791 HE3 MET 95 HE3 MET 95 2.239 10.217 3.824 792 H GLU 96 H GLU 96 3.724 14.293 7.134 793 HA GLU 96 HA GLU 96 2.990 14.587 9.906 794 HB2 GLU 96 HB2 GLU 96 4.097 16.325 8.408 795 HB3 GLU 96 HB3 GLU 96 2.515 16.566 7.694 796 HG2 GLU 96 HG2 GLU 96 1.620 17.442 9.642 797 HG3 GLU 96 HG3 GLU 96 2.904 16.775 10.649 798 H ASN 97 H ASN 97 1.383 14.103 6.864 799 HA ASN 97 HA ASN 97 -1.200 14.113 8.275 800 HB2 ASN 97 HB2 ASN 97 -0.575 15.247 5.548 801 HB3 ASN 97 HB3 ASN 97 -2.214 14.885 6.077 802 HD21 ASN 97 HD21 ASN 97 0.534 16.962 6.482 803 HD22 ASN 97 HD22 ASN 97 -0.258 18.164 7.443 804 H ASP 98 H ASP 98 -2.428 12.353 8.010 805 HA ASP 98 HA ASP 98 -1.592 10.116 6.480 806 HB2 ASP 98 HB2 ASP 98 -3.565 10.617 8.400 807 HB3 ASP 98 HB3 ASP 98 -4.465 10.191 6.951 808 HA PRO 99 HA PRO 99 -3.275 11.300 2.515 809 HB2 PRO 99 HB2 PRO 99 -3.203 8.873 1.317 810 HB3 PRO 99 HB3 PRO 99 -1.749 9.835 1.599 811 HG2 PRO 99 HG2 PRO 99 -2.821 7.522 3.166 812 HG3 PRO 99 HG3 PRO 99 -1.149 7.877 2.694 813 HD2 PRO 99 HD2 PRO 99 -2.138 8.396 5.174 814 HD3 PRO 99 HD3 PRO 99 -0.845 9.355 4.426 815 H PHE 100 H PHE 100 -4.527 8.685 4.468 816 HA PHE 100 HA PHE 100 -7.003 8.513 2.971 817 HB2 PHE 100 HB2 PHE 100 -6.013 7.109 5.453 818 HB3 PHE 100 HB3 PHE 100 -7.609 6.847 4.763 819 HD1 PHE 100 HD2 PHE 100 -7.854 5.748 2.586 820 HD2 PHE 100 HD1 PHE 100 -4.050 6.187 4.445 821 HE1 PHE 100 HE2 PHE 100 -6.922 4.053 1.066 822 HE2 PHE 100 HE1 PHE 100 -3.108 4.494 2.928 823 HZ PHE 100 HZ PHE 100 -4.545 3.426 1.235 824 H LYS 101 H LYS 101 -5.785 10.491 5.336 825 HA LYS 101 HA LYS 101 -7.952 10.761 7.110 826 HB2 LYS 101 HB2 LYS 101 -5.777 11.494 7.766 827 HB3 LYS 101 HB3 LYS 101 -5.638 12.545 6.370 828 HG2 LYS 101 HG2 LYS 101 -7.870 13.133 8.198 829 HG3 LYS 101 HG3 LYS 101 -6.246 13.402 8.838 830 HD2 LYS 101 HD2 LYS 101 -7.300 14.523 6.242 831 HD3 LYS 101 HD3 LYS 101 -7.199 15.402 7.761 832 HE2 LYS 101 HE2 LYS 101 -4.759 15.052 7.778 833 HE3 LYS 101 HE3 LYS 101 -4.888 14.239 6.218 834 HZ1 LYS 101 HZ1 LYS 101 -5.818 16.309 5.301 835 HZ2 LYS 101 HZ2 LYS 101 -4.239 16.513 5.889 836 HZ3 LYS 101 HZ3 LYS 101 -5.556 17.077 6.795 837 H ASP 102 H ASP 102 -7.273 12.128 3.967 838 HA ASP 102 HA ASP 102 -9.527 13.961 4.263 839 HB2 ASP 102 HB2 ASP 102 -7.147 13.894 2.486 840 HB3 ASP 102 HB3 ASP 102 -8.613 14.643 1.869 841 H PHE 103 H PHE 103 -9.317 10.868 3.488 842 HA PHE 103 HA PHE 103 -11.038 10.881 1.156 843 HB2 PHE 103 HB2 PHE 103 -9.967 8.749 2.973 844 HB3 PHE 103 HB3 PHE 103 -11.345 8.391 1.941 845 HD1 PHE 103 HD1 PHE 103 -7.773 9.199 2.017 846 HD2 PHE 103 HD2 PHE 103 -11.100 8.184 -0.430 847 HE1 PHE 103 HE1 PHE 103 -6.249 8.706 0.150 848 HE2 PHE 103 HE2 PHE 103 -9.579 7.691 -2.302 849 HZ PHE 103 HZ PHE 103 -7.149 7.950 -2.012 850 H GLY 104 H GLY 104 -11.420 11.659 4.300 851 HA2 GLY 104 HA2 GLY 104 -13.888 12.331 4.652 852 HA3 GLY 104 HA3 GLY 104 -14.136 10.588 4.575 853 H LEU 105 H LEU 105 -13.718 9.360 6.294 854 HA LEU 105 HA LEU 105 -13.181 8.690 8.383 855 HB2 LEU 105 HB2 LEU 105 -10.899 9.228 7.643 856 HB3 LEU 105 HB3 LEU 105 -11.101 10.871 8.217 857 HG LEU 105 HG LEU 105 -11.349 9.992 10.528 858 HD11 LEU 105 HD11 LEU 105 -10.700 7.673 10.983 859 HD12 LEU 105 HD12 LEU 105 -10.602 7.365 9.250 860 HD13 LEU 105 HD13 LEU 105 -12.155 7.757 9.988 861 HD21 LEU 105 HD21 LEU 105 -9.198 10.802 9.751 862 HD22 LEU 105 HD22 LEU 105 -8.821 9.216 9.079 863 HD23 LEU 105 HD23 LEU 105 -8.978 9.419 10.824 864 H GLU 106 H GLU 106 -12.335 12.071 8.923 865 HA GLU 106 HA GLU 106 -14.709 12.818 10.258 866 HB2 GLU 106 HB2 GLU 106 -13.779 11.153 11.903 867 HB3 GLU 106 HB3 GLU 106 -12.369 12.189 12.072 868 HG2 GLU 106 HG2 GLU 106 -13.835 12.587 13.910 869 HG3 GLU 106 HG3 GLU 106 -13.855 14.003 12.861 870 H HIS 107 H HIS 107 -14.410 14.690 9.024 871 HA HIS 107 HA HIS 107 -11.959 16.218 9.312 872 HB2 HIS 107 HB2 HIS 107 -14.466 16.560 7.706 873 HB3 HIS 107 HB3 HIS 107 -13.374 17.921 7.929 874 HD1 HIS 107 HD1 HIS 107 -14.052 15.406 5.573 875 HD2 HIS 107 HD2 HIS 107 -10.554 16.973 7.185 876 HE1 HIS 107 HE1 HIS 107 -12.227 14.805 3.948 877 HE2 HIS 107 HE2 HIS 107 -10.179 15.995 4.817 878 H HIS 108 H HIS 108 -13.540 15.723 11.660 879 HA HIS 108 HA HIS 108 -14.795 18.205 12.447 880 HB2 HIS 108 HB2 HIS 108 -15.440 15.866 13.231 881 HB3 HIS 108 HB3 HIS 108 -13.967 15.868 14.189 882 HD1 HIS 108 HD1 HIS 108 -17.399 17.352 14.029 883 HD2 HIS 108 HD2 HIS 108 -14.078 17.396 16.533 884 HE1 HIS 108 HE1 HIS 108 -18.191 18.360 16.195 885 HE2 HIS 108 HE2 HIS 108 -16.213 18.213 17.749 886 H HIS 109 H HIS 109 -11.892 17.988 11.628 887 HA HIS 109 HA HIS 109 -9.860 18.814 12.155 888 HB2 HIS 109 HB2 HIS 109 -11.481 20.199 14.282 889 HB3 HIS 109 HB3 HIS 109 -9.734 20.382 14.200 890 HD1 HIS 109 HD1 HIS 109 -9.249 22.573 13.214 891 HD2 HIS 109 HD2 HIS 109 -12.442 20.713 11.303 892 HE1 HIS 109 HE1 HIS 109 -9.911 24.114 11.343 893 HE2 HIS 109 HE2 HIS 109 -11.729 22.896 10.097 894 H HIS 110 H HIS 110 -10.872 18.657 15.524 895 HA HIS 110 HA HIS 110 -9.769 16.013 15.882 896 HB2 HIS 110 HB2 HIS 110 -8.449 18.441 17.092 897 HB3 HIS 110 HB3 HIS 110 -8.310 16.849 17.827 898 HD1 HIS 110 HD1 HIS 110 -7.565 14.985 15.743 899 HD2 HIS 110 HD2 HIS 110 -6.271 18.937 15.596 900 HE1 HIS 110 HE1 HIS 110 -5.541 14.983 14.244 901 HE2 HIS 110 HE2 HIS 110 -4.771 17.385 14.164 902 H HIS 111 H HIS 111 -10.126 18.628 18.219 903 HA HIS 111 HA HIS 111 -12.742 17.827 19.063 904 HB2 HIS 111 HB2 HIS 111 -11.558 16.021 20.138 905 HB3 HIS 111 HB3 HIS 111 -10.340 17.121 20.768 906 HD1 HIS 111 HD1 HIS 111 -13.934 16.087 21.295 907 HD2 HIS 111 HD2 HIS 111 -10.961 18.305 23.186 908 HE1 HIS 111 HE1 HIS 111 -14.808 16.575 23.603 909 HE2 HIS 111 HE2 HIS 111 -13.074 18.065 24.660 910 H HIS 112 H HIS 112 -9.722 19.402 20.016 911 HA HIS 112 HA HIS 112 -11.203 21.868 20.533 912 HB2 HIS 112 HB2 HIS 112 -10.832 20.522 22.699 913 HB3 HIS 112 HB3 HIS 112 -9.125 20.900 22.494 914 HD1 HIS 112 HD1 HIS 112 -8.349 23.139 23.342 915 HD2 HIS 112 HD2 HIS 112 -12.494 22.868 23.056 916 HE1 HIS 112 HE1 HIS 112 -9.248 25.211 24.451 917 HE2 HIS 112 HE2 HIS 112 -11.758 24.964 24.377 Start of MODEL 4 1 H1 MET 1 H1 MET 1 15.641 -8.008 2.176 2 H2 MET 1 H2 MET 1 16.339 -6.477 2.391 3 H3 MET 1 H3 MET 1 15.620 -7.271 3.704 4 HA MET 1 HA MET 1 17.278 -9.031 3.551 5 HB2 MET 1 HB2 MET 1 18.353 -7.224 1.390 6 HB3 MET 1 HB3 MET 1 19.378 -8.372 2.236 7 HG2 MET 1 HG2 MET 1 18.724 -9.387 0.212 8 HG3 MET 1 HG3 MET 1 17.816 -10.180 1.497 9 HE1 MET 1 HE1 MET 1 16.238 -11.217 -0.362 10 HE2 MET 1 HE2 MET 1 17.107 -10.367 -1.639 11 HE3 MET 1 HE3 MET 1 15.350 -10.260 -1.548 12 H ASN 2 H ASN 2 18.168 -5.595 3.094 13 HA ASN 2 HA ASN 2 18.937 -5.395 5.883 14 HB2 ASN 2 HB2 ASN 2 20.955 -6.357 4.741 15 HB3 ASN 2 HB3 ASN 2 21.004 -4.930 3.712 16 HD21 ASN 2 HD21 ASN 2 23.056 -4.365 4.442 17 HD22 ASN 2 HD22 ASN 2 23.315 -3.700 6.024 18 H ASN 3 H ASN 3 19.691 -3.109 6.357 19 HA ASN 3 HA ASN 3 19.480 -0.854 6.271 20 HB2 ASN 3 HB2 ASN 3 20.477 -1.017 4.006 21 HB3 ASN 3 HB3 ASN 3 18.868 -1.216 3.327 22 HD21 ASN 3 HD21 ASN 3 19.016 0.620 2.080 23 HD22 ASN 3 HD22 ASN 3 18.964 2.212 2.751 24 HA PRO 4 HA PRO 4 14.965 -1.364 6.634 25 HB2 PRO 4 HB2 PRO 4 14.758 -0.829 9.241 26 HB3 PRO 4 HB3 PRO 4 15.349 -2.390 8.665 27 HG2 PRO 4 HG2 PRO 4 16.874 -0.079 9.764 28 HG3 PRO 4 HG3 PRO 4 17.153 -1.814 9.981 29 HD2 PRO 4 HD2 PRO 4 18.502 -0.153 8.194 30 HD3 PRO 4 HD3 PRO 4 18.461 -1.924 8.131 31 H SER 5 H SER 5 13.319 0.102 6.725 32 HA SER 5 HA SER 5 12.208 2.075 6.668 33 HB2 SER 5 HB2 SER 5 12.918 2.090 9.075 34 HB3 SER 5 HB3 SER 5 14.310 3.066 8.607 35 HG SER 5 HG SER 5 12.787 4.614 7.781 36 H ASP 6 H ASP 6 14.600 1.574 4.908 37 HA ASP 6 HA ASP 6 14.991 4.358 4.037 38 HB2 ASP 6 HB2 ASP 6 16.950 3.155 5.297 39 HB3 ASP 6 HB3 ASP 6 17.176 2.321 3.770 40 H PHE 7 H PHE 7 13.482 1.760 3.306 41 HA PHE 7 HA PHE 7 14.490 0.708 0.946 42 HB2 PHE 7 HB2 PHE 7 11.617 0.794 1.864 43 HB3 PHE 7 HB3 PHE 7 12.304 -0.303 0.683 44 HD1 PHE 7 HD2 PHE 7 14.119 -1.899 1.412 45 HD2 PHE 7 HD1 PHE 7 11.692 0.269 4.152 46 HE1 PHE 7 HE2 PHE 7 14.742 -3.471 3.199 47 HE2 PHE 7 HE1 PHE 7 12.311 -1.296 5.944 48 HZ PHE 7 HZ PHE 7 13.837 -3.168 5.470 49 H LYS 8 H LYS 8 13.810 0.920 -1.160 50 HA LYS 8 HA LYS 8 13.513 3.724 -1.825 51 HB2 LYS 8 HB2 LYS 8 14.376 3.103 -3.995 52 HB3 LYS 8 HB3 LYS 8 15.403 2.488 -2.725 53 HG2 LYS 8 HG2 LYS 8 13.348 0.769 -4.058 54 HG3 LYS 8 HG3 LYS 8 14.957 0.996 -4.739 55 HD2 LYS 8 HD2 LYS 8 15.923 0.162 -2.608 56 HD3 LYS 8 HD3 LYS 8 14.288 -0.157 -2.031 57 HE2 LYS 8 HE2 LYS 8 13.979 -1.631 -4.050 58 HE3 LYS 8 HE3 LYS 8 15.705 -1.445 -4.357 59 HZ1 LYS 8 HZ1 LYS 8 14.449 -2.651 -1.943 60 HZ2 LYS 8 HZ2 LYS 8 16.115 -2.374 -2.120 61 HZ3 LYS 8 HZ3 LYS 8 15.326 -3.466 -3.149 62 H SER 9 H SER 9 11.687 0.855 -1.950 63 HA SER 9 HA SER 9 9.768 2.133 -3.798 64 HB2 SER 9 HB2 SER 9 10.393 -0.818 -3.642 65 HB3 SER 9 HB3 SER 9 9.263 -0.043 -4.754 66 HG SER 9 HG SER 9 11.662 1.159 -4.906 67 H PHE 10 H PHE 10 7.547 1.240 -3.643 68 HA PHE 10 HA PHE 10 6.640 1.587 -0.974 69 HB2 PHE 10 HB2 PHE 10 4.980 0.500 -3.245 70 HB3 PHE 10 HB3 PHE 10 4.450 1.459 -1.870 71 HD1 PHE 10 HD2 PHE 10 5.715 3.839 -1.737 72 HD2 PHE 10 HD1 PHE 10 5.049 1.558 -5.264 73 HE1 PHE 10 HE2 PHE 10 5.914 5.883 -3.090 74 HE2 PHE 10 HE1 PHE 10 5.247 3.600 -6.626 75 HZ PHE 10 HZ PHE 10 5.681 5.763 -5.538 76 H HIS 11 H HIS 11 6.482 -1.125 -3.251 77 HA HIS 11 HA HIS 11 5.505 -2.966 -1.274 78 HB2 HIS 11 HB2 HIS 11 4.902 -3.441 -3.522 79 HB3 HIS 11 HB3 HIS 11 6.564 -3.304 -4.079 80 HD1 HIS 11 HD1 HIS 11 4.362 -5.631 -2.060 81 HD2 HIS 11 HD2 HIS 11 7.960 -5.642 -4.126 82 HE1 HIS 11 HE1 HIS 11 5.107 -8.029 -2.097 83 HE2 HIS 11 HE2 HIS 11 7.420 -7.954 -3.103 84 H ASP 12 H ASP 12 8.568 -1.840 -2.264 85 HA ASP 12 HA ASP 12 10.203 -3.948 -1.332 86 HB2 ASP 12 HB2 ASP 12 10.943 -2.095 -2.821 87 HB3 ASP 12 HB3 ASP 12 10.807 -0.984 -1.467 88 H PHE 13 H PHE 13 9.075 -0.939 0.169 89 HA PHE 13 HA PHE 13 10.096 -1.455 2.754 90 HB2 PHE 13 HB2 PHE 13 9.265 0.769 1.853 91 HB3 PHE 13 HB3 PHE 13 7.627 0.165 2.069 92 HD1 PHE 13 HD2 PHE 13 6.881 -0.454 4.415 93 HD2 PHE 13 HD1 PHE 13 10.439 1.738 3.615 94 HE1 PHE 13 HE2 PHE 13 6.899 0.355 6.740 95 HE2 PHE 13 HE1 PHE 13 10.464 2.554 5.934 96 HZ PHE 13 HZ PHE 13 8.694 1.865 7.502 97 H VAL 14 H VAL 14 6.963 -2.061 1.225 98 HA VAL 14 HA VAL 14 5.579 -3.125 3.387 99 HB VAL 14 HB VAL 14 5.350 -3.786 0.447 100 HG11 VAL 14 HG11 VAL 14 4.468 -5.652 1.741 101 HG12 VAL 14 HG12 VAL 14 3.159 -4.760 0.964 102 HG13 VAL 14 HG13 VAL 14 3.477 -4.543 2.686 103 HG21 VAL 14 HG21 VAL 14 4.826 -1.481 1.031 104 HG22 VAL 14 HG22 VAL 14 3.688 -2.039 2.258 105 HG23 VAL 14 HG23 VAL 14 3.370 -2.352 0.551 106 H ALA 15 H ALA 15 7.632 -4.819 1.019 107 HA ALA 15 HA ALA 15 7.041 -7.422 1.850 108 HB1 ALA 15 HB1 ALA 15 8.162 -6.863 -0.268 109 HB2 ALA 15 HB2 ALA 15 9.020 -8.107 0.643 110 HB3 ALA 15 HB3 ALA 15 9.620 -6.449 0.633 111 H SER 16 H SER 16 9.695 -5.280 2.844 112 HA SER 16 HA SER 16 10.971 -7.153 4.518 113 HB2 SER 16 HB2 SER 16 12.030 -5.082 3.647 114 HB3 SER 16 HB3 SER 16 11.015 -4.135 4.733 115 HG SER 16 HG SER 16 12.310 -6.127 6.058 116 H TYR 17 H TYR 17 8.517 -4.691 5.163 117 HA TYR 17 HA TYR 17 8.473 -5.123 7.981 118 HB2 TYR 17 HB2 TYR 17 7.728 -3.010 6.968 119 HB3 TYR 17 HB3 TYR 17 6.405 -3.853 6.173 120 HD1 TYR 17 HD2 TYR 17 7.762 -2.975 9.526 121 HD2 TYR 17 HD1 TYR 17 4.343 -4.135 7.269 122 HE1 TYR 17 HE2 TYR 17 6.333 -2.556 11.484 123 HE2 TYR 17 HE1 TYR 17 2.907 -3.718 9.220 124 HH TYR 17 HH TYR 17 3.105 -3.600 11.667 125 H MET 18 H MET 18 6.507 -6.239 5.272 126 HA MET 18 HA MET 18 4.604 -7.623 6.848 127 HB2 MET 18 HB2 MET 18 4.265 -6.828 4.490 128 HB3 MET 18 HB3 MET 18 5.297 -8.146 3.958 129 HG2 MET 18 HG2 MET 18 3.753 -9.771 4.578 130 HG3 MET 18 HG3 MET 18 2.862 -8.659 5.618 131 HE1 MET 18 HE1 MET 18 1.031 -6.370 3.058 132 HE2 MET 18 HE2 MET 18 2.602 -6.062 3.795 133 HE3 MET 18 HE3 MET 18 1.296 -6.750 4.759 134 H LYS 19 H LYS 19 7.717 -8.498 5.522 135 HA LYS 19 HA LYS 19 7.676 -11.257 5.733 136 HB2 LYS 19 HB2 LYS 19 9.562 -9.823 4.900 137 HB3 LYS 19 HB3 LYS 19 9.966 -9.473 6.572 138 HG2 LYS 19 HG2 LYS 19 9.825 -12.309 5.655 139 HG3 LYS 19 HG3 LYS 19 11.238 -11.328 5.272 140 HD2 LYS 19 HD2 LYS 19 11.592 -10.875 7.630 141 HD3 LYS 19 HD3 LYS 19 10.134 -11.782 8.037 142 HE2 LYS 19 HE2 LYS 19 12.520 -12.953 6.630 143 HE3 LYS 19 HE3 LYS 19 12.254 -13.034 8.369 144 HZ1 LYS 19 HZ1 LYS 19 10.389 -14.127 6.330 145 HZ2 LYS 19 HZ2 LYS 19 10.263 -14.293 8.014 146 HZ3 LYS 19 HZ3 LYS 19 11.536 -15.040 7.181 147 H THR 20 H THR 20 8.201 -8.869 8.305 148 HA THR 20 HA THR 20 8.261 -10.926 10.345 149 HB THR 20 HB THR 20 8.118 -7.925 10.696 150 HG1 THR 20 HG1 THR 20 10.365 -9.676 10.420 151 HG21 THR 20 HG21 THR 20 9.072 -10.128 12.534 152 HG22 THR 20 HG22 THR 20 7.585 -9.197 12.712 153 HG23 THR 20 HG23 THR 20 9.149 -8.400 12.878 154 H TYR 21 H TYR 21 6.098 -8.434 9.156 155 HA TYR 21 HA TYR 21 4.105 -8.566 11.128 156 HB2 TYR 21 HB2 TYR 21 4.356 -6.683 9.620 157 HB3 TYR 21 HB3 TYR 21 4.012 -7.700 8.232 158 HD1 TYR 21 HD2 TYR 21 2.413 -6.594 11.435 159 HD2 TYR 21 HD1 TYR 21 1.900 -7.647 7.344 160 HE1 TYR 21 HE2 TYR 21 0.034 -5.975 11.576 161 HE2 TYR 21 HE1 TYR 21 -0.470 -7.029 7.473 162 HH TYR 21 HH TYR 21 -1.775 -5.222 9.977 163 H SER 22 H SER 22 4.866 -10.756 8.631 164 HA SER 22 HA SER 22 2.341 -11.792 7.983 165 HB2 SER 22 HB2 SER 22 3.589 -13.774 7.178 166 HB3 SER 22 HB3 SER 22 4.335 -12.269 6.645 167 HG SER 22 HG SER 22 6.044 -12.677 7.833 168 H ARG 23 H ARG 23 4.218 -12.109 10.845 169 HA ARG 23 HA ARG 23 3.144 -14.578 11.761 170 HB2 ARG 23 HB2 ARG 23 4.628 -12.317 13.013 171 HB3 ARG 23 HB3 ARG 23 3.796 -13.452 14.069 172 HG2 ARG 23 HG2 ARG 23 5.795 -14.247 11.963 173 HG3 ARG 23 HG3 ARG 23 6.175 -14.002 13.669 174 HD2 ARG 23 HD2 ARG 23 4.670 -15.776 14.307 175 HD3 ARG 23 HD3 ARG 23 4.121 -15.957 12.642 176 HE ARG 23 HE ARG 23 6.740 -16.441 12.395 177 HH11 ARG 23 HH11 ARG 23 4.423 -17.625 14.753 178 HH12 ARG 23 HH12 ARG 23 5.191 -19.182 14.901 179 HH21 ARG 23 HH21 ARG 23 7.745 -18.463 12.609 180 HH22 ARG 23 HH22 ARG 23 7.092 -19.642 13.707 181 H ARG 24 H ARG 24 1.760 -11.550 11.361 182 HA ARG 24 HA ARG 24 -0.410 -12.203 13.248 183 HB2 ARG 24 HB2 ARG 24 0.249 -9.580 11.890 184 HB3 ARG 24 HB3 ARG 24 -1.078 -9.841 13.010 185 HG2 ARG 24 HG2 ARG 24 1.789 -10.284 13.774 186 HG3 ARG 24 HG3 ARG 24 0.983 -8.727 13.937 187 HD2 ARG 24 HD2 ARG 24 0.842 -9.800 16.045 188 HD3 ARG 24 HD3 ARG 24 -0.759 -9.874 15.322 189 HE ARG 24 HE ARG 24 0.803 -12.230 14.820 190 HH11 ARG 24 HH11 ARG 24 -1.296 -10.616 17.111 191 HH12 ARG 24 HH12 ARG 24 -1.781 -12.085 17.912 192 HH21 ARG 24 HH21 ARG 24 0.191 -14.178 15.894 193 HH22 ARG 24 HH22 ARG 24 -0.925 -14.104 17.225 194 H LEU 25 H LEU 25 0.401 -12.778 10.203 195 HA LEU 25 HA LEU 25 -2.290 -12.290 9.106 196 HB2 LEU 25 HB2 LEU 25 0.336 -11.619 8.079 197 HB3 LEU 25 HB3 LEU 25 -0.550 -12.622 6.952 198 HG LEU 25 HG LEU 25 -2.353 -11.021 6.855 199 HD11 LEU 25 HD11 LEU 25 -2.250 -10.271 9.192 200 HD12 LEU 25 HD12 LEU 25 -2.300 -8.924 8.054 201 HD13 LEU 25 HD13 LEU 25 -0.776 -9.371 8.822 202 HD21 LEU 25 HD21 LEU 25 -0.474 -10.689 5.355 203 HD22 LEU 25 HD22 LEU 25 0.346 -9.710 6.573 204 HD23 LEU 25 HD23 LEU 25 -1.156 -9.137 5.845 205 H GLU 26 H GLU 26 -3.384 -14.026 8.453 206 HA GLU 26 HA GLU 26 -2.204 -16.614 8.235 207 HB2 GLU 26 HB2 GLU 26 -4.681 -15.722 8.732 208 HB3 GLU 26 HB3 GLU 26 -4.830 -15.962 6.999 209 HG2 GLU 26 HG2 GLU 26 -3.767 -18.136 8.741 210 HG3 GLU 26 HG3 GLU 26 -5.494 -17.832 8.619 211 H ILE 27 H ILE 27 -2.333 -17.865 6.181 212 HA ILE 27 HA ILE 27 -0.878 -16.516 4.163 213 HB ILE 27 HB ILE 27 -2.234 -19.216 4.090 214 HG12 ILE 27 HG12 ILE 27 -0.520 -19.049 5.819 215 HG13 ILE 27 HG13 ILE 27 0.043 -20.078 4.506 216 HG21 ILE 27 HG21 ILE 27 -1.864 -18.412 1.830 217 HG22 ILE 27 HG22 ILE 27 -0.739 -19.719 2.203 218 HG23 ILE 27 HG23 ILE 27 -0.181 -18.045 2.213 219 HD11 ILE 27 HD11 ILE 27 0.817 -17.208 4.974 220 HD12 ILE 27 HD12 ILE 27 1.355 -18.207 3.624 221 HD13 ILE 27 HD13 ILE 27 1.817 -18.630 5.273 222 H GLY 28 H GLY 28 -4.264 -17.387 4.526 223 HA2 GLY 28 HA2 GLY 28 -5.183 -16.984 1.933 224 HA3 GLY 28 HA3 GLY 28 -6.141 -16.731 3.382 225 H THR 29 H THR 29 -4.875 -14.579 4.536 226 HA THR 29 HA THR 29 -5.779 -12.471 2.803 227 HB THR 29 HB THR 29 -6.297 -12.373 5.188 228 HG1 THR 29 HG1 THR 29 -6.303 -10.342 4.566 229 HG21 THR 29 HG21 THR 29 -4.540 -11.834 6.834 230 HG22 THR 29 HG22 THR 29 -3.320 -12.099 5.587 231 HG23 THR 29 HG23 THR 29 -4.336 -13.436 6.126 232 H PHE 30 H PHE 30 -2.691 -13.704 3.922 233 HA PHE 30 HA PHE 30 -1.026 -11.588 3.170 234 HB2 PHE 30 HB2 PHE 30 -0.252 -13.435 4.555 235 HB3 PHE 30 HB3 PHE 30 -0.485 -14.566 3.228 236 HD1 PHE 30 HD2 PHE 30 1.478 -11.595 4.265 237 HD2 PHE 30 HD1 PHE 30 1.235 -15.000 1.724 238 HE1 PHE 30 HE2 PHE 30 3.800 -11.218 3.542 239 HE2 PHE 30 HE1 PHE 30 3.557 -14.632 0.997 240 HZ PHE 30 HZ PHE 30 4.842 -12.736 1.909 241 H ARG 31 H ARG 31 -1.935 -14.492 1.330 242 HA ARG 31 HA ARG 31 -0.478 -13.854 -1.012 243 HB2 ARG 31 HB2 ARG 31 -1.781 -15.632 -2.062 244 HB3 ARG 31 HB3 ARG 31 -1.282 -16.129 -0.448 245 HG2 ARG 31 HG2 ARG 31 -3.544 -15.364 0.355 246 HG3 ARG 31 HG3 ARG 31 -3.998 -15.208 -1.340 247 HD2 ARG 31 HD2 ARG 31 -3.595 -17.568 -1.692 248 HD3 ARG 31 HD3 ARG 31 -3.020 -17.745 -0.034 249 HE ARG 31 HE ARG 31 -5.615 -16.643 -0.028 250 HH11 ARG 31 HH11 ARG 31 -3.987 -19.672 -0.696 251 HH12 ARG 31 HH12 ARG 31 -5.322 -20.651 -0.164 252 HH21 ARG 31 HH21 ARG 31 -7.377 -17.918 0.652 253 HH22 ARG 31 HH22 ARG 31 -7.268 -19.657 0.562 254 H HIS 32 H HIS 32 -3.501 -12.749 0.202 255 HA HIS 32 HA HIS 32 -4.899 -12.295 -2.204 256 HB2 HIS 32 HB2 HIS 32 -5.898 -12.438 0.094 257 HB3 HIS 32 HB3 HIS 32 -5.243 -10.842 0.429 258 HD1 HIS 32 HD1 HIS 32 -7.846 -12.580 -1.673 259 HD2 HIS 32 HD2 HIS 32 -6.731 -8.733 -0.546 260 HE1 HIS 32 HE1 HIS 32 -9.730 -11.082 -2.404 261 HE2 HIS 32 HE2 HIS 32 -9.123 -8.792 -1.535 262 H HIS 33 H HIS 33 -2.275 -10.648 -0.809 263 HA HIS 33 HA HIS 33 -2.523 -8.543 -2.819 264 HB2 HIS 33 HB2 HIS 33 -1.747 -6.850 -1.093 265 HB3 HIS 33 HB3 HIS 33 -3.415 -7.385 -0.961 266 HD1 HIS 33 HD1 HIS 33 -0.045 -8.185 0.636 267 HD2 HIS 33 HD2 HIS 33 -4.105 -8.167 1.522 268 HE1 HIS 33 HE1 HIS 33 -0.210 -8.769 3.078 269 HE2 HIS 33 HE2 HIS 33 -2.669 -8.624 3.624 270 H LYS 34 H LYS 34 -0.917 -10.868 -2.699 271 HA LYS 34 HA LYS 34 1.752 -9.935 -1.969 272 HB2 LYS 34 HB2 LYS 34 1.095 -12.132 -1.178 273 HB3 LYS 34 HB3 LYS 34 0.722 -12.646 -2.815 274 HG2 LYS 34 HG2 LYS 34 3.098 -12.405 -3.407 275 HG3 LYS 34 HG3 LYS 34 3.447 -11.970 -1.732 276 HD2 LYS 34 HD2 LYS 34 2.712 -14.118 -0.956 277 HD3 LYS 34 HD3 LYS 34 2.133 -14.550 -2.565 278 HE2 LYS 34 HE2 LYS 34 4.476 -14.370 -3.385 279 HE3 LYS 34 HE3 LYS 34 4.992 -14.121 -1.717 280 HZ1 LYS 34 HZ1 LYS 34 5.163 -16.453 -2.550 281 HZ2 LYS 34 HZ2 LYS 34 3.472 -16.506 -2.612 282 HZ3 LYS 34 HZ3 LYS 34 4.262 -16.284 -1.126 283 H SER 35 H SER 35 0.095 -11.361 -4.788 284 HA SER 35 HA SER 35 2.404 -11.333 -6.429 285 HB2 SER 35 HB2 SER 35 -0.428 -11.476 -7.439 286 HB3 SER 35 HB3 SER 35 1.015 -12.252 -8.094 287 HG SER 35 HG SER 35 1.065 -13.488 -6.091 288 H CYS 36 H CYS 36 -0.179 -9.029 -5.940 289 HA CYS 36 HA CYS 36 -0.339 -7.816 -8.399 290 HB2 CYS 36 HB2 CYS 36 -0.619 -6.417 -5.741 291 HB3 CYS 36 HB3 CYS 36 -1.362 -5.943 -7.266 292 HG CYS 36 HG CYS 36 -3.016 -8.201 -7.422 293 H MET 37 H MET 37 1.416 -6.270 -5.688 294 HA MET 37 HA MET 37 2.623 -4.370 -7.405 295 HB2 MET 37 HB2 MET 37 3.163 -5.152 -4.549 296 HB3 MET 37 HB3 MET 37 4.078 -3.894 -5.369 297 HG2 MET 37 HG2 MET 37 2.059 -2.608 -5.725 298 HG3 MET 37 HG3 MET 37 1.091 -3.891 -5.004 299 HE1 MET 37 HE1 MET 37 2.841 -4.803 -2.518 300 HE2 MET 37 HE2 MET 37 1.101 -4.521 -2.482 301 HE3 MET 37 HE3 MET 37 2.143 -3.778 -1.267 302 H ARG 38 H ARG 38 3.557 -7.544 -6.397 303 HA ARG 38 HA ARG 38 6.326 -7.428 -6.858 304 HB2 ARG 38 HB2 ARG 38 5.010 -9.329 -5.804 305 HB3 ARG 38 HB3 ARG 38 4.563 -9.807 -7.431 306 HG2 ARG 38 HG2 ARG 38 6.992 -9.972 -7.969 307 HG3 ARG 38 HG3 ARG 38 7.328 -9.717 -6.256 308 HD2 ARG 38 HD2 ARG 38 6.212 -11.730 -5.657 309 HD3 ARG 38 HD3 ARG 38 5.553 -11.921 -7.283 310 HE ARG 38 HE ARG 38 8.245 -11.907 -7.668 311 HH11 ARG 38 HH11 ARG 38 6.065 -13.826 -5.703 312 HH12 ARG 38 HH12 ARG 38 7.097 -15.227 -5.710 313 HH21 ARG 38 HH21 ARG 38 9.588 -13.727 -7.689 314 HH22 ARG 38 HH22 ARG 38 9.103 -15.174 -6.855 315 H LYS 39 H LYS 39 3.660 -8.412 -8.963 316 HA LYS 39 HA LYS 39 5.229 -8.942 -11.233 317 HB2 LYS 39 HB2 LYS 39 2.769 -9.566 -10.502 318 HB3 LYS 39 HB3 LYS 39 2.362 -8.113 -11.401 319 HG2 LYS 39 HG2 LYS 39 3.902 -10.436 -12.522 320 HG3 LYS 39 HG3 LYS 39 2.164 -10.192 -12.709 321 HD2 LYS 39 HD2 LYS 39 4.286 -8.258 -13.621 322 HD3 LYS 39 HD3 LYS 39 3.475 -9.426 -14.642 323 HE2 LYS 39 HE2 LYS 39 1.302 -8.357 -13.977 324 HE3 LYS 39 HE3 LYS 39 2.256 -7.089 -13.211 325 HZ1 LYS 39 HZ1 LYS 39 3.319 -6.706 -15.412 326 HZ2 LYS 39 HZ2 LYS 39 1.657 -6.357 -15.376 327 HZ3 LYS 39 HZ3 LYS 39 2.202 -7.791 -16.093 328 H PHE 40 H PHE 40 3.508 -6.120 -10.092 329 HA PHE 40 HA PHE 40 3.539 -4.495 -12.328 330 HB2 PHE 40 HB2 PHE 40 2.291 -3.977 -10.295 331 HB3 PHE 40 HB3 PHE 40 3.791 -3.708 -9.419 332 HD1 PHE 40 HD1 PHE 40 1.802 -2.456 -12.295 333 HD2 PHE 40 HD2 PHE 40 4.732 -1.589 -9.330 334 HE1 PHE 40 HE1 PHE 40 1.733 -0.078 -12.923 335 HE2 PHE 40 HE2 PHE 40 4.668 0.788 -9.955 336 HZ PHE 40 HZ PHE 40 3.167 1.548 -11.752 337 H LYS 41 H LYS 41 6.139 -5.208 -10.101 338 HA LYS 41 HA LYS 41 8.352 -4.732 -10.092 339 HB2 LYS 41 HB2 LYS 41 8.449 -5.267 -12.440 340 HB3 LYS 41 HB3 LYS 41 7.799 -3.693 -12.875 341 HG2 LYS 41 HG2 LYS 41 10.155 -3.733 -13.315 342 HG3 LYS 41 HG3 LYS 41 9.836 -2.634 -11.972 343 HD2 LYS 41 HD2 LYS 41 10.477 -4.454 -10.402 344 HD3 LYS 41 HD3 LYS 41 10.907 -5.454 -11.792 345 HE2 LYS 41 HE2 LYS 41 12.545 -3.766 -12.484 346 HE3 LYS 41 HE3 LYS 41 12.129 -2.792 -11.076 347 HZ1 LYS 41 HZ1 LYS 41 12.859 -4.678 -9.674 348 HZ2 LYS 41 HZ2 LYS 41 14.108 -4.028 -10.617 349 HZ3 LYS 41 HZ3 LYS 41 13.380 -5.490 -11.071 350 H GLU 42 H GLU 42 8.646 -3.349 -8.541 351 HA GLU 42 HA GLU 42 7.565 -0.798 -8.282 352 HB2 GLU 42 HB2 GLU 42 10.041 -1.962 -7.005 353 HB3 GLU 42 HB3 GLU 42 9.179 -0.540 -6.440 354 HG2 GLU 42 HG2 GLU 42 7.888 -3.237 -6.655 355 HG3 GLU 42 HG3 GLU 42 8.740 -2.690 -5.210 356 H TYR 43 H TYR 43 11.050 -1.315 -8.346 357 HA TYR 43 HA TYR 43 12.767 0.018 -8.939 358 HB2 TYR 43 HB2 TYR 43 11.972 -0.838 -11.180 359 HB3 TYR 43 HB3 TYR 43 11.133 0.698 -11.387 360 HD1 TYR 43 HD1 TYR 43 14.537 -0.496 -10.396 361 HD2 TYR 43 HD2 TYR 43 12.242 2.301 -12.635 362 HE1 TYR 43 HE1 TYR 43 16.608 0.516 -11.244 363 HE2 TYR 43 HE2 TYR 43 14.310 3.318 -13.489 364 HH TYR 43 HH TYR 43 16.632 3.511 -12.927 365 H CYS 44 H CYS 44 10.948 1.219 -7.192 366 HA CYS 44 HA CYS 44 10.782 4.000 -8.025 367 HB2 CYS 44 HB2 CYS 44 10.108 2.744 -5.355 368 HB3 CYS 44 HB3 CYS 44 9.690 4.374 -5.879 369 HG CYS 44 HG CYS 44 8.553 2.171 -8.054 370 H GLU 45 H GLU 45 11.932 5.692 -6.903 371 HA GLU 45 HA GLU 45 14.556 4.677 -6.033 372 HB2 GLU 45 HB2 GLU 45 14.267 5.926 -8.250 373 HB3 GLU 45 HB3 GLU 45 14.009 7.361 -7.274 374 HG2 GLU 45 HG2 GLU 45 16.228 7.091 -6.289 375 HG3 GLU 45 HG3 GLU 45 16.486 5.655 -7.281 376 H GLY 46 H GLY 46 12.259 5.249 -4.256 377 HA2 GLY 46 HA2 GLY 46 13.057 5.933 -1.958 378 HA3 GLY 46 HA3 GLY 46 13.430 7.474 -2.714 379 H LEU 47 H LEU 47 11.459 6.394 -0.595 380 HA LEU 47 HA LEU 47 9.137 7.856 -1.652 381 HB2 LEU 47 HB2 LEU 47 8.759 5.399 -1.331 382 HB3 LEU 47 HB3 LEU 47 9.068 5.621 0.378 383 HG LEU 47 HG LEU 47 6.626 5.484 -0.443 384 HD11 LEU 47 HD11 LEU 47 7.467 7.752 1.347 385 HD12 LEU 47 HD12 LEU 47 7.241 6.073 1.838 386 HD13 LEU 47 HD13 LEU 47 5.861 7.023 1.282 387 HD21 LEU 47 HD21 LEU 47 7.253 8.341 -1.157 388 HD22 LEU 47 HD22 LEU 47 5.638 7.638 -1.075 389 HD23 LEU 47 HD23 LEU 47 6.793 7.057 -2.276 390 H GLN 48 H GLN 48 8.577 9.604 -0.580 391 HA GLN 48 HA GLN 48 9.758 10.082 2.077 392 HB2 GLN 48 HB2 GLN 48 9.342 11.866 -0.280 393 HB3 GLN 48 HB3 GLN 48 9.228 12.563 1.320 394 HG2 GLN 48 HG2 GLN 48 11.432 12.899 0.440 395 HG3 GLN 48 HG3 GLN 48 11.502 11.799 1.813 396 HE21 GLN 48 HE21 GLN 48 12.172 9.719 1.505 397 HE22 GLN 48 HE22 GLN 48 12.856 9.148 0.025 398 H PHE 49 H PHE 49 8.415 12.090 3.069 399 HA PHE 49 HA PHE 49 5.852 11.025 3.681 400 HB2 PHE 49 HB2 PHE 49 6.964 12.306 5.370 401 HB3 PHE 49 HB3 PHE 49 7.140 13.688 4.296 402 HD1 PHE 49 HD2 PHE 49 4.409 11.544 5.667 403 HD2 PHE 49 HD1 PHE 49 5.725 15.453 4.644 404 HE1 PHE 49 HE2 PHE 49 2.297 12.473 6.522 405 HE2 PHE 49 HE1 PHE 49 3.617 16.391 5.494 406 HZ PHE 49 HZ PHE 49 1.899 14.901 6.436 407 H HIS 50 H HIS 50 6.784 14.052 1.996 408 HA HIS 50 HA HIS 50 4.085 14.205 0.924 409 HB2 HIS 50 HB2 HIS 50 5.300 16.258 1.736 410 HB3 HIS 50 HB3 HIS 50 6.375 16.089 0.350 411 HD1 HIS 50 HD1 HIS 50 2.738 16.735 1.172 412 HD2 HIS 50 HD2 HIS 50 5.397 17.112 -2.008 413 HE1 HIS 50 HE1 HIS 50 1.486 17.987 -0.618 414 HE2 HIS 50 HE2 HIS 50 3.034 17.972 -2.611 415 H GLU 51 H GLU 51 4.622 12.081 -0.049 416 HA GLU 51 HA GLU 51 4.973 12.565 -2.879 417 HB2 GLU 51 HB2 GLU 51 7.049 11.343 -1.349 418 HB3 GLU 51 HB3 GLU 51 6.302 10.093 -2.336 419 HG2 GLU 51 HG2 GLU 51 7.466 12.687 -3.321 420 HG3 GLU 51 HG3 GLU 51 8.176 11.083 -3.494 421 H LEU 52 H LEU 52 4.561 10.069 -0.386 422 HA LEU 52 HA LEU 52 2.385 8.843 -1.858 423 HB2 LEU 52 HB2 LEU 52 4.122 7.699 -0.254 424 HB3 LEU 52 HB3 LEU 52 3.061 8.273 1.017 425 HG LEU 52 HG LEU 52 2.645 5.925 0.422 426 HD11 LEU 52 HD11 LEU 52 0.364 7.746 -0.308 427 HD12 LEU 52 HD12 LEU 52 0.814 7.250 1.323 428 HD13 LEU 52 HD13 LEU 52 0.225 6.052 0.168 429 HD21 LEU 52 HD21 LEU 52 1.881 7.033 -2.267 430 HD22 LEU 52 HD22 LEU 52 1.616 5.374 -1.732 431 HD23 LEU 52 HD23 LEU 52 3.258 5.991 -1.914 432 H THR 53 H THR 53 1.019 10.659 -2.010 433 HA THR 53 HA THR 53 -0.163 11.575 0.526 434 HB THR 53 HB THR 53 -0.563 13.763 -0.631 435 HG1 THR 53 HG1 THR 53 1.127 13.913 -2.501 436 HG21 THR 53 HG21 THR 53 2.326 12.899 -0.407 437 HG22 THR 53 HG22 THR 53 1.321 13.516 0.904 438 HG23 THR 53 HG23 THR 53 1.755 14.569 -0.443 439 H GLU 54 H GLU 54 -2.265 12.915 -0.130 440 HA GLU 54 HA GLU 54 -4.266 11.173 -0.899 441 HB2 GLU 54 HB2 GLU 54 -4.442 14.127 -1.459 442 HB3 GLU 54 HB3 GLU 54 -5.722 13.035 -0.971 443 HG2 GLU 54 HG2 GLU 54 -5.338 14.277 0.936 444 HG3 GLU 54 HG3 GLU 54 -4.411 12.807 1.227 445 H ASP 55 H ASP 55 -2.354 13.373 -2.824 446 HA ASP 55 HA ASP 55 -3.804 13.123 -5.237 447 HB2 ASP 55 HB2 ASP 55 -2.345 15.027 -4.873 448 HB3 ASP 55 HB3 ASP 55 -0.944 13.968 -4.729 449 H PHE 56 H PHE 56 -1.028 11.400 -3.881 450 HA PHE 56 HA PHE 56 -0.522 9.874 -6.228 451 HB2 PHE 56 HB2 PHE 56 1.090 10.227 -4.290 452 HB3 PHE 56 HB3 PHE 56 0.150 9.028 -3.407 453 HD1 PHE 56 HD2 PHE 56 0.097 6.676 -4.180 454 HD2 PHE 56 HD1 PHE 56 2.580 9.603 -6.024 455 HE1 PHE 56 HE2 PHE 56 1.405 4.889 -5.253 456 HE2 PHE 56 HE1 PHE 56 3.887 7.822 -7.100 457 HZ PHE 56 HZ PHE 56 3.304 5.462 -6.713 458 H LEU 57 H LEU 57 -2.438 9.348 -3.305 459 HA LEU 57 HA LEU 57 -3.271 6.733 -3.766 460 HB2 LEU 57 HB2 LEU 57 -4.372 9.063 -2.281 461 HB3 LEU 57 HB3 LEU 57 -5.448 7.714 -2.578 462 HG LEU 57 HG LEU 57 -4.299 7.690 -0.353 463 HD11 LEU 57 HD11 LEU 57 -5.250 5.666 -1.309 464 HD12 LEU 57 HD12 LEU 57 -3.771 5.303 -0.419 465 HD13 LEU 57 HD13 LEU 57 -3.750 5.359 -2.181 466 HD21 LEU 57 HD21 LEU 57 -1.865 7.073 -2.013 467 HD22 LEU 57 HD22 LEU 57 -1.981 6.937 -0.258 468 HD23 LEU 57 HD23 LEU 57 -2.121 8.516 -1.032 469 H ARG 58 H ARG 58 -4.822 9.780 -4.779 470 HA ARG 58 HA ARG 58 -6.942 8.446 -6.134 471 HB2 ARG 58 HB2 ARG 58 -7.508 10.630 -7.071 472 HB3 ARG 58 HB3 ARG 58 -7.211 10.741 -5.344 473 HG2 ARG 58 HG2 ARG 58 -4.979 11.632 -5.792 474 HG3 ARG 58 HG3 ARG 58 -5.292 11.529 -7.524 475 HD2 ARG 58 HD2 ARG 58 -7.130 13.106 -7.304 476 HD3 ARG 58 HD3 ARG 58 -6.877 13.175 -5.561 477 HE ARG 58 HE ARG 58 -4.573 13.881 -7.159 478 HH11 ARG 58 HH11 ARG 58 -7.446 15.069 -5.525 479 HH12 ARG 58 HH12 ARG 58 -6.814 16.682 -5.342 480 HH21 ARG 58 HH21 ARG 58 -3.753 15.964 -6.913 481 HH22 ARG 58 HH22 ARG 58 -4.727 17.206 -6.174 482 H ASP 59 H ASP 59 -3.800 9.682 -7.153 483 HA ASP 59 HA ASP 59 -4.208 9.401 -9.934 484 HB2 ASP 59 HB2 ASP 59 -2.376 10.747 -9.063 485 HB3 ASP 59 HB3 ASP 59 -1.643 9.323 -8.330 486 H TYR 60 H TYR 60 -2.823 7.231 -7.505 487 HA TYR 60 HA TYR 60 -2.208 5.128 -9.297 488 HB2 TYR 60 HB2 TYR 60 -1.358 5.471 -6.903 489 HB3 TYR 60 HB3 TYR 60 -2.887 4.781 -6.375 490 HD1 TYR 60 HD1 TYR 60 0.094 4.043 -8.480 491 HD2 TYR 60 HD2 TYR 60 -3.118 2.456 -6.186 492 HE1 TYR 60 HE1 TYR 60 1.060 1.791 -8.696 493 HE2 TYR 60 HE2 TYR 60 -2.162 0.199 -6.401 494 HH TYR 60 HH TYR 60 0.996 -0.363 -7.537 495 H LEU 61 H LEU 61 -5.031 5.930 -7.358 496 HA LEU 61 HA LEU 61 -6.624 3.693 -7.901 497 HB2 LEU 61 HB2 LEU 61 -7.256 5.320 -6.229 498 HB3 LEU 61 HB3 LEU 61 -7.368 6.583 -7.439 499 HG LEU 61 HG LEU 61 -9.276 5.349 -8.470 500 HD11 LEU 61 HD11 LEU 61 -10.398 3.624 -7.147 501 HD12 LEU 61 HD12 LEU 61 -9.065 3.650 -5.992 502 HD13 LEU 61 HD13 LEU 61 -8.785 3.119 -7.648 503 HD21 LEU 61 HD21 LEU 61 -10.896 5.989 -6.750 504 HD22 LEU 61 HD22 LEU 61 -9.658 7.223 -6.981 505 HD23 LEU 61 HD23 LEU 61 -9.585 6.151 -5.583 506 H ILE 62 H ILE 62 -6.501 6.840 -9.561 507 HA ILE 62 HA ILE 62 -8.279 6.256 -11.627 508 HB ILE 62 HB ILE 62 -5.889 8.101 -11.645 509 HG12 ILE 62 HG12 ILE 62 -7.590 8.691 -9.991 510 HG13 ILE 62 HG13 ILE 62 -7.568 9.867 -11.299 511 HG21 ILE 62 HG21 ILE 62 -6.918 9.195 -13.579 512 HG22 ILE 62 HG22 ILE 62 -8.157 7.941 -13.625 513 HG23 ILE 62 HG23 ILE 62 -6.469 7.527 -13.930 514 HD11 ILE 62 HD11 ILE 62 -9.556 7.633 -10.968 515 HD12 ILE 62 HD12 ILE 62 -9.533 8.808 -12.283 516 HD13 ILE 62 HD13 ILE 62 -9.836 9.341 -10.629 517 H TYR 63 H TYR 63 -4.738 5.866 -11.556 518 HA TYR 63 HA TYR 63 -4.451 4.978 -14.197 519 HB2 TYR 63 HB2 TYR 63 -2.588 5.709 -12.719 520 HB3 TYR 63 HB3 TYR 63 -2.755 4.208 -11.813 521 HD1 TYR 63 HD2 TYR 63 -2.061 5.521 -15.218 522 HD2 TYR 63 HD1 TYR 63 -1.581 2.293 -12.491 523 HE1 TYR 63 HE2 TYR 63 -0.534 4.424 -16.798 524 HE2 TYR 63 HE1 TYR 63 -0.051 1.184 -14.066 525 HH TYR 63 HH TYR 63 1.192 2.786 -16.863 526 H MET 64 H MET 64 -4.951 3.170 -11.204 527 HA MET 64 HA MET 64 -4.751 0.607 -12.424 528 HB2 MET 64 HB2 MET 64 -4.282 1.013 -10.051 529 HB3 MET 64 HB3 MET 64 -5.962 1.431 -9.784 530 HG2 MET 64 HG2 MET 64 -6.679 -0.736 -9.921 531 HG3 MET 64 HG3 MET 64 -5.316 -1.236 -10.921 532 HE1 MET 64 HE1 MET 64 -6.134 0.213 -7.317 533 HE2 MET 64 HE2 MET 64 -4.651 1.008 -7.850 534 HE3 MET 64 HE3 MET 64 -4.604 -0.131 -6.508 535 H LYS 65 H LYS 65 -7.469 2.635 -11.455 536 HA LYS 65 HA LYS 65 -9.466 0.723 -12.154 537 HB2 LYS 65 HB2 LYS 65 -9.582 2.789 -10.562 538 HB3 LYS 65 HB3 LYS 65 -9.956 3.684 -12.024 539 HG2 LYS 65 HG2 LYS 65 -11.534 1.302 -11.079 540 HG3 LYS 65 HG3 LYS 65 -11.933 2.969 -10.677 541 HD2 LYS 65 HD2 LYS 65 -12.162 3.481 -13.064 542 HD3 LYS 65 HD3 LYS 65 -11.784 1.802 -13.453 543 HE2 LYS 65 HE2 LYS 65 -13.774 1.117 -12.111 544 HE3 LYS 65 HE3 LYS 65 -14.181 2.823 -11.929 545 HZ1 LYS 65 HZ1 LYS 65 -15.423 1.868 -13.741 546 HZ2 LYS 65 HZ2 LYS 65 -14.002 1.316 -14.482 547 HZ3 LYS 65 HZ3 LYS 65 -14.302 2.983 -14.363 548 H LYS 66 H LYS 66 -8.184 3.624 -13.796 549 HA LYS 66 HA LYS 66 -9.985 3.222 -16.031 550 HB2 LYS 66 HB2 LYS 66 -9.114 5.473 -14.963 551 HB3 LYS 66 HB3 LYS 66 -7.765 5.231 -16.062 552 HG2 LYS 66 HG2 LYS 66 -10.653 5.367 -16.904 553 HG3 LYS 66 HG3 LYS 66 -9.525 6.720 -16.950 554 HD2 LYS 66 HD2 LYS 66 -8.122 5.517 -18.533 555 HD3 LYS 66 HD3 LYS 66 -9.205 4.125 -18.457 556 HE2 LYS 66 HE2 LYS 66 -11.032 5.524 -19.335 557 HE3 LYS 66 HE3 LYS 66 -9.918 6.885 -19.448 558 HZ1 LYS 66 HZ1 LYS 66 -9.613 4.308 -20.901 559 HZ2 LYS 66 HZ2 LYS 66 -8.608 5.668 -21.053 560 HZ3 LYS 66 HZ3 LYS 66 -10.219 5.741 -21.573 561 H THR 67 H THR 67 -6.426 3.548 -15.755 562 HA THR 67 HA THR 67 -6.003 2.718 -18.434 563 HB THR 67 HB THR 67 -4.014 2.838 -16.157 564 HG1 THR 67 HG1 THR 67 -4.758 4.903 -16.464 565 HG21 THR 67 HG21 THR 67 -2.337 3.042 -17.948 566 HG22 THR 67 HG22 THR 67 -3.603 2.779 -19.147 567 HG23 THR 67 HG23 THR 67 -3.184 1.496 -18.010 568 H LEU 68 H LEU 68 -5.456 1.050 -15.319 569 HA LEU 68 HA LEU 68 -4.733 -1.399 -16.655 570 HB2 LEU 68 HB2 LEU 68 -5.317 -0.844 -13.747 571 HB3 LEU 68 HB3 LEU 68 -4.709 -2.365 -14.370 572 HG LEU 68 HG LEU 68 -3.264 0.286 -14.476 573 HD11 LEU 68 HD11 LEU 68 -2.771 -2.192 -12.830 574 HD12 LEU 68 HD12 LEU 68 -3.365 -0.643 -12.228 575 HD13 LEU 68 HD13 LEU 68 -1.731 -0.769 -12.882 576 HD21 LEU 68 HD21 LEU 68 -2.388 -2.469 -15.346 577 HD22 LEU 68 HD22 LEU 68 -1.366 -1.034 -15.296 578 HD23 LEU 68 HD23 LEU 68 -2.734 -1.104 -16.409 579 H CYS 69 H CYS 69 -7.613 0.126 -15.961 580 HA CYS 69 HA CYS 69 -9.768 -0.415 -16.359 581 HB2 CYS 69 HB2 CYS 69 -8.614 -2.926 -17.582 582 HB3 CYS 69 HB3 CYS 69 -10.240 -2.299 -17.839 583 HG CYS 69 HG CYS 69 -7.358 -0.699 -18.778 584 H ASN 70 H ASN 70 -8.480 -1.287 -13.832 585 HA ASN 70 HA ASN 70 -9.930 -3.730 -13.182 586 HB2 ASN 70 HB2 ASN 70 -7.954 -2.035 -11.681 587 HB3 ASN 70 HB3 ASN 70 -8.943 -3.219 -10.835 588 HD21 ASN 70 HD21 ASN 70 -6.298 -2.706 -12.960 589 HD22 ASN 70 HD22 ASN 70 -5.767 -4.352 -13.045 590 H ALA 71 H ALA 71 -11.140 -3.732 -11.054 591 HA ALA 71 HA ALA 71 -13.028 -1.503 -11.053 592 HB1 ALA 71 HB1 ALA 71 -13.941 -3.768 -11.134 593 HB2 ALA 71 HB2 ALA 71 -14.416 -2.951 -9.647 594 HB3 ALA 71 HB3 ALA 71 -13.131 -4.155 -9.616 595 H ASP 72 H ASP 72 -13.846 -0.851 -8.781 596 HA ASP 72 HA ASP 72 -11.596 0.246 -7.431 597 HB2 ASP 72 HB2 ASP 72 -13.198 1.282 -5.910 598 HB3 ASP 72 HB3 ASP 72 -13.703 1.488 -7.580 599 H SER 73 H SER 73 -13.631 -2.549 -6.843 600 HA SER 73 HA SER 73 -12.966 -3.092 -4.193 601 HB2 SER 73 HB2 SER 73 -13.429 -5.023 -6.481 602 HB3 SER 73 HB3 SER 73 -13.385 -5.485 -4.780 603 HG SER 73 HG SER 73 -15.237 -3.739 -6.056 604 H THR 74 H THR 74 -11.239 -3.933 -7.171 605 HA THR 74 HA THR 74 -9.094 -5.282 -5.894 606 HB THR 74 HB THR 74 -8.954 -3.888 -8.570 607 HG1 THR 74 HG1 THR 74 -9.954 -5.704 -9.457 608 HG21 THR 74 HG21 THR 74 -7.671 -6.396 -7.482 609 HG22 THR 74 HG22 THR 74 -6.866 -4.856 -7.791 610 HG23 THR 74 HG23 THR 74 -7.504 -5.806 -9.132 611 H ALA 75 H ALA 75 -9.590 -1.987 -7.070 612 HA ALA 75 HA ALA 75 -7.017 -0.987 -6.598 613 HB1 ALA 75 HB1 ALA 75 -9.646 0.488 -6.549 614 HB2 ALA 75 HB2 ALA 75 -8.672 0.158 -7.981 615 HB3 ALA 75 HB3 ALA 75 -8.052 1.224 -6.718 616 H GLN 76 H GLN 76 -9.898 -1.010 -4.514 617 HA GLN 76 HA GLN 76 -8.805 0.476 -2.403 618 HB2 GLN 76 HB2 GLN 76 -11.054 -1.513 -2.603 619 HB3 GLN 76 HB3 GLN 76 -10.641 -0.730 -1.092 620 HG2 GLN 76 HG2 GLN 76 -11.380 0.727 -3.615 621 HG3 GLN 76 HG3 GLN 76 -12.500 0.363 -2.305 622 HE21 GLN 76 HE21 GLN 76 -9.825 2.299 -3.339 623 HE22 GLN 76 HE22 GLN 76 -9.883 3.446 -2.042 624 H ARG 77 H ARG 77 -8.746 -2.976 -3.132 625 HA ARG 77 HA ARG 77 -7.658 -3.823 -0.669 626 HB2 ARG 77 HB2 ARG 77 -8.712 -5.438 -2.040 627 HB3 ARG 77 HB3 ARG 77 -7.753 -4.991 -3.443 628 HG2 ARG 77 HG2 ARG 77 -5.949 -5.813 -1.442 629 HG3 ARG 77 HG3 ARG 77 -7.256 -7.002 -1.494 630 HD2 ARG 77 HD2 ARG 77 -5.609 -6.043 -3.827 631 HD3 ARG 77 HD3 ARG 77 -5.507 -7.611 -3.045 632 HE ARG 77 HE ARG 77 -8.112 -6.943 -4.105 633 HH11 ARG 77 HH11 ARG 77 -5.050 -8.541 -4.686 634 HH12 ARG 77 HH12 ARG 77 -5.648 -9.473 -6.017 635 HH21 ARG 77 HH21 ARG 77 -8.905 -8.148 -5.828 636 HH22 ARG 77 HH22 ARG 77 -7.870 -9.254 -6.677 637 H ASN 78 H ASN 78 -6.212 -3.014 -3.804 638 HA ASN 78 HA ASN 78 -3.537 -3.471 -3.063 639 HB2 ASN 78 HB2 ASN 78 -4.794 -1.772 -5.213 640 HB3 ASN 78 HB3 ASN 78 -3.048 -1.868 -5.009 641 HD21 ASN 78 HD21 ASN 78 -2.895 -2.776 -7.099 642 HD22 ASN 78 HD22 ASN 78 -3.297 -4.431 -7.386 643 H LEU 79 H LEU 79 -5.505 -0.534 -3.000 644 HA LEU 79 HA LEU 79 -3.478 1.179 -2.040 645 HB2 LEU 79 HB2 LEU 79 -6.479 1.356 -1.749 646 HB3 LEU 79 HB3 LEU 79 -5.377 2.628 -1.265 647 HG LEU 79 HG LEU 79 -5.806 1.617 -4.074 648 HD11 LEU 79 HD11 LEU 79 -7.626 2.997 -3.230 649 HD12 LEU 79 HD12 LEU 79 -6.708 3.843 -4.475 650 HD13 LEU 79 HD13 LEU 79 -6.470 4.250 -2.776 651 HD21 LEU 79 HD21 LEU 79 -3.981 3.792 -3.066 652 HD22 LEU 79 HD22 LEU 79 -4.289 3.401 -4.758 653 HD23 LEU 79 HD23 LEU 79 -3.473 2.234 -3.717 654 H SER 80 H SER 80 -5.708 -0.995 -0.408 655 HA SER 80 HA SER 80 -5.136 -0.071 2.223 656 HB2 SER 80 HB2 SER 80 -7.168 -1.389 1.637 657 HB3 SER 80 HB3 SER 80 -6.143 -2.800 1.383 658 HG SER 80 HG SER 80 -5.422 -2.169 3.689 659 H THR 81 H THR 81 -3.535 -2.215 0.020 660 HA THR 81 HA THR 81 -1.874 -3.475 1.986 661 HB THR 81 HB THR 81 -1.293 -3.180 -0.966 662 HG1 THR 81 HG1 THR 81 -3.411 -4.104 -0.525 663 HG21 THR 81 HG21 THR 81 0.564 -4.011 0.413 664 HG22 THR 81 HG22 THR 81 -0.054 -5.269 -0.657 665 HG23 THR 81 HG23 THR 81 -0.482 -5.279 1.054 666 H ILE 82 H ILE 82 -1.538 -0.785 -0.278 667 HA ILE 82 HA ILE 82 1.020 0.088 0.502 668 HB ILE 82 HB ILE 82 -1.341 1.687 -0.522 669 HG12 ILE 82 HG12 ILE 82 1.058 0.578 -1.993 670 HG13 ILE 82 HG13 ILE 82 -0.554 -0.133 -2.015 671 HG21 ILE 82 HG21 ILE 82 0.294 3.390 -1.176 672 HG22 ILE 82 HG22 ILE 82 1.573 2.463 -0.393 673 HG23 ILE 82 HG23 ILE 82 0.266 3.151 0.570 674 HD11 ILE 82 HD11 ILE 82 -1.416 1.923 -3.046 675 HD12 ILE 82 HD12 ILE 82 -0.171 1.143 -4.021 676 HD13 ILE 82 HD13 ILE 82 0.222 2.575 -3.071 677 H LYS 83 H LYS 83 -2.209 0.734 1.725 678 HA LYS 83 HA LYS 83 -1.716 2.710 3.600 679 HB2 LYS 83 HB2 LYS 83 -3.868 1.148 2.869 680 HB3 LYS 83 HB3 LYS 83 -3.568 0.631 4.518 681 HG2 LYS 83 HG2 LYS 83 -4.194 3.416 3.570 682 HG3 LYS 83 HG3 LYS 83 -5.209 2.357 4.549 683 HD2 LYS 83 HD2 LYS 83 -3.264 2.407 6.231 684 HD3 LYS 83 HD3 LYS 83 -2.700 3.806 5.315 685 HE2 LYS 83 HE2 LYS 83 -4.903 4.874 5.679 686 HE3 LYS 83 HE3 LYS 83 -5.365 3.506 6.694 687 HZ1 LYS 83 HZ1 LYS 83 -4.597 4.993 8.240 688 HZ2 LYS 83 HZ2 LYS 83 -3.416 5.642 7.217 689 HZ3 LYS 83 HZ3 LYS 83 -3.175 4.120 7.934 690 H ILE 84 H ILE 84 -1.015 -0.724 3.774 691 HA ILE 84 HA ILE 84 -0.700 -0.923 6.564 692 HB ILE 84 HB ILE 84 0.646 -2.531 4.385 693 HG12 ILE 84 HG12 ILE 84 -1.824 -3.114 6.038 694 HG13 ILE 84 HG13 ILE 84 -1.831 -2.592 4.357 695 HG21 ILE 84 HG21 ILE 84 1.864 -2.752 6.473 696 HG22 ILE 84 HG22 ILE 84 0.980 -4.239 6.132 697 HG23 ILE 84 HG23 ILE 84 0.369 -3.105 7.335 698 HD11 ILE 84 HD11 ILE 84 -0.662 -4.645 3.724 699 HD12 ILE 84 HD12 ILE 84 -2.195 -4.980 4.531 700 HD13 ILE 84 HD13 ILE 84 -0.677 -5.163 5.409 701 H TYR 85 H TYR 85 1.780 -0.367 4.020 702 HA TYR 85 HA TYR 85 3.832 -0.124 5.993 703 HB2 TYR 85 HB2 TYR 85 5.319 -0.046 4.271 704 HB3 TYR 85 HB3 TYR 85 3.967 -0.749 3.409 705 HD1 TYR 85 HD1 TYR 85 5.960 2.304 3.905 706 HD2 TYR 85 HD2 TYR 85 2.841 0.471 1.670 707 HE1 TYR 85 HE1 TYR 85 6.087 4.119 2.251 708 HE2 TYR 85 HE2 TYR 85 2.957 2.281 0.014 709 HH TYR 85 HH TYR 85 3.707 4.670 -0.046 710 H VAL 86 H VAL 86 1.730 2.088 4.291 711 HA VAL 86 HA VAL 86 2.997 4.497 5.046 712 HB VAL 86 HB VAL 86 0.086 3.931 4.435 713 HG11 VAL 86 HG11 VAL 86 -0.174 6.333 4.115 714 HG12 VAL 86 HG12 VAL 86 1.489 6.594 4.637 715 HG13 VAL 86 HG13 VAL 86 0.295 5.968 5.774 716 HG21 VAL 86 HG21 VAL 86 0.629 4.952 2.265 717 HG22 VAL 86 HG22 VAL 86 1.561 3.487 2.571 718 HG23 VAL 86 HG23 VAL 86 2.318 5.069 2.759 719 H SER 87 H SER 87 0.293 2.702 6.497 720 HA SER 87 HA SER 87 -0.111 4.332 8.722 721 HB2 SER 87 HB2 SER 87 -0.910 1.681 7.820 722 HB3 SER 87 HB3 SER 87 -0.748 1.766 9.576 723 HG SER 87 HG SER 87 -2.417 3.071 9.668 724 H ALA 88 H ALA 88 2.122 1.633 8.235 725 HA ALA 88 HA ALA 88 3.095 1.551 10.898 726 HB1 ALA 88 HB1 ALA 88 4.418 0.696 8.322 727 HB2 ALA 88 HB2 ALA 88 3.428 -0.313 9.377 728 HB3 ALA 88 HB3 ALA 88 4.984 0.293 9.944 729 H ALA 89 H ALA 89 4.138 3.249 7.978 730 HA ALA 89 HA ALA 89 6.472 4.394 9.107 731 HB1 ALA 89 HB1 ALA 89 4.871 5.330 6.733 732 HB2 ALA 89 HB2 ALA 89 6.172 4.141 6.694 733 HB3 ALA 89 HB3 ALA 89 6.520 5.812 7.134 734 H ILE 90 H ILE 90 3.126 5.338 9.106 735 HA ILE 90 HA ILE 90 3.666 8.003 10.031 736 HB ILE 90 HB ILE 90 1.100 6.397 10.011 737 HG12 ILE 90 HG12 ILE 90 2.007 8.670 8.233 738 HG13 ILE 90 HG13 ILE 90 2.073 6.966 7.791 739 HG21 ILE 90 HG21 ILE 90 -0.054 8.531 10.405 740 HG22 ILE 90 HG22 ILE 90 1.508 9.328 10.608 741 HG23 ILE 90 HG23 ILE 90 0.995 8.089 11.754 742 HD11 ILE 90 HD11 ILE 90 0.149 8.046 6.805 743 HD12 ILE 90 HD12 ILE 90 -0.410 8.552 8.399 744 HD13 ILE 90 HD13 ILE 90 -0.361 6.838 7.984 745 H LYS 91 H LYS 91 3.133 4.881 11.453 746 HA LYS 91 HA LYS 91 2.479 5.882 14.064 747 HB2 LYS 91 HB2 LYS 91 1.766 3.640 13.037 748 HB3 LYS 91 HB3 LYS 91 3.389 3.084 13.423 749 HG2 LYS 91 HG2 LYS 91 3.031 3.236 15.715 750 HG3 LYS 91 HG3 LYS 91 1.631 4.294 15.521 751 HD2 LYS 91 HD2 LYS 91 0.486 2.361 14.368 752 HD3 LYS 91 HD3 LYS 91 1.832 1.355 14.910 753 HE2 LYS 91 HE2 LYS 91 1.318 1.765 17.199 754 HE3 LYS 91 HE3 LYS 91 0.139 3.006 16.775 755 HZ1 LYS 91 HZ1 LYS 91 -1.186 1.256 15.682 756 HZ2 LYS 91 HZ2 LYS 91 -0.999 0.997 17.349 757 HZ3 LYS 91 HZ3 LYS 91 -0.085 0.092 16.244 758 H LYS 92 H LYS 92 5.295 4.359 12.539 759 HA LYS 92 HA LYS 92 7.041 6.165 13.838 760 HB2 LYS 92 HB2 LYS 92 6.516 4.387 15.652 761 HB3 LYS 92 HB3 LYS 92 7.555 3.336 14.696 762 HG2 LYS 92 HG2 LYS 92 8.833 4.362 16.454 763 HG3 LYS 92 HG3 LYS 92 9.368 4.992 14.895 764 HD2 LYS 92 HD2 LYS 92 7.868 6.953 15.260 765 HD3 LYS 92 HD3 LYS 92 7.546 6.342 16.882 766 HE2 LYS 92 HE2 LYS 92 9.931 6.501 17.407 767 HE3 LYS 92 HE3 LYS 92 10.243 7.124 15.785 768 HZ1 LYS 92 HZ1 LYS 92 8.637 8.418 17.920 769 HZ2 LYS 92 HZ2 LYS 92 8.704 8.976 16.321 770 HZ3 LYS 92 HZ3 LYS 92 10.109 8.959 17.270 771 H GLY 93 H GLY 93 7.281 6.313 11.494 772 HA2 GLY 93 HA2 GLY 93 9.477 4.570 10.647 773 HA3 GLY 93 HA3 GLY 93 8.057 4.652 9.614 774 H TYR 94 H TYR 94 7.386 7.128 9.261 775 HA TYR 94 HA TYR 94 9.637 8.857 8.806 776 HB2 TYR 94 HB2 TYR 94 9.543 6.903 7.001 777 HB3 TYR 94 HB3 TYR 94 8.332 7.952 6.280 778 HD1 TYR 94 HD2 TYR 94 11.611 8.559 7.941 779 HD2 TYR 94 HD1 TYR 94 9.227 9.091 4.460 780 HE1 TYR 94 HE2 TYR 94 13.431 9.832 6.898 781 HE2 TYR 94 HE1 TYR 94 11.050 10.365 3.403 782 HH TYR 94 HH TYR 94 13.023 11.595 3.961 783 H MET 95 H MET 95 6.380 8.033 7.632 784 HA MET 95 HA MET 95 5.687 10.752 7.077 785 HB2 MET 95 HB2 MET 95 4.019 8.237 7.191 786 HB3 MET 95 HB3 MET 95 3.442 9.796 6.630 787 HG2 MET 95 HG2 MET 95 5.099 9.765 4.833 788 HG3 MET 95 HG3 MET 95 5.662 8.193 5.393 789 HE1 MET 95 HE1 MET 95 1.486 8.969 3.580 790 HE2 MET 95 HE2 MET 95 2.733 10.203 3.763 791 HE3 MET 95 HE3 MET 95 1.936 9.537 5.188 792 H GLU 96 H GLU 96 3.700 11.727 8.020 793 HA GLU 96 HA GLU 96 3.537 11.185 10.910 794 HB2 GLU 96 HB2 GLU 96 3.681 13.887 9.570 795 HB3 GLU 96 HB3 GLU 96 3.428 13.619 11.286 796 HG2 GLU 96 HG2 GLU 96 5.630 12.544 11.428 797 HG3 GLU 96 HG3 GLU 96 5.882 12.867 9.714 798 H ASN 97 H ASN 97 1.961 12.431 8.035 799 HA ASN 97 HA ASN 97 -0.605 12.427 9.476 800 HB2 ASN 97 HB2 ASN 97 0.267 14.096 7.106 801 HB3 ASN 97 HB3 ASN 97 -1.384 14.031 7.708 802 HD21 ASN 97 HD21 ASN 97 -0.618 13.922 10.497 803 HD22 ASN 97 HD22 ASN 97 -0.049 15.503 10.917 804 H ASP 98 H ASP 98 -2.294 11.353 8.598 805 HA ASP 98 HA ASP 98 -1.696 9.311 6.673 806 HB2 ASP 98 HB2 ASP 98 -3.601 9.686 8.713 807 HB3 ASP 98 HB3 ASP 98 -4.522 9.618 7.215 808 HA PRO 99 HA PRO 99 -2.949 11.515 3.034 809 HB2 PRO 99 HB2 PRO 99 -3.658 9.361 1.492 810 HB3 PRO 99 HB3 PRO 99 -1.993 9.887 1.752 811 HG2 PRO 99 HG2 PRO 99 -3.519 7.700 3.101 812 HG3 PRO 99 HG3 PRO 99 -1.837 7.709 2.535 813 HD2 PRO 99 HD2 PRO 99 -2.465 8.044 5.127 814 HD3 PRO 99 HD3 PRO 99 -1.092 8.885 4.380 815 H PHE 100 H PHE 100 -5.110 8.772 3.884 816 HA PHE 100 HA PHE 100 -7.281 9.829 2.401 817 HB2 PHE 100 HB2 PHE 100 -8.547 8.015 3.154 818 HB3 PHE 100 HB3 PHE 100 -6.908 7.391 3.089 819 HD1 PHE 100 HD2 PHE 100 -5.608 7.268 5.283 820 HD2 PHE 100 HD1 PHE 100 -9.808 7.901 5.092 821 HE1 PHE 100 HE2 PHE 100 -5.826 6.541 7.624 822 HE2 PHE 100 HE1 PHE 100 -10.034 7.176 7.430 823 HZ PHE 100 HZ PHE 100 -8.038 6.496 8.699 824 H LYS 101 H LYS 101 -6.175 10.338 5.620 825 HA LYS 101 HA LYS 101 -8.512 11.289 6.821 826 HB2 LYS 101 HB2 LYS 101 -6.331 10.617 7.920 827 HB3 LYS 101 HB3 LYS 101 -5.660 12.141 7.367 828 HG2 LYS 101 HG2 LYS 101 -8.069 11.950 9.149 829 HG3 LYS 101 HG3 LYS 101 -6.416 12.069 9.752 830 HD2 LYS 101 HD2 LYS 101 -7.754 14.072 7.940 831 HD3 LYS 101 HD3 LYS 101 -7.577 14.227 9.677 832 HE2 LYS 101 HE2 LYS 101 -5.144 14.190 9.443 833 HE3 LYS 101 HE3 LYS 101 -5.321 14.029 7.697 834 HZ1 LYS 101 HZ1 LYS 101 -6.323 16.336 9.283 835 HZ2 LYS 101 HZ2 LYS 101 -6.336 16.187 7.595 836 HZ3 LYS 101 HZ3 LYS 101 -4.864 16.326 8.417 837 H ASP 102 H ASP 102 -6.003 12.794 4.867 838 HA ASP 102 HA ASP 102 -7.355 15.395 5.042 839 HB2 ASP 102 HB2 ASP 102 -4.747 14.842 5.342 840 HB3 ASP 102 HB3 ASP 102 -4.773 15.063 3.596 841 H PHE 103 H PHE 103 -8.000 12.887 3.426 842 HA PHE 103 HA PHE 103 -7.880 14.007 0.710 843 HB2 PHE 103 HB2 PHE 103 -6.686 11.872 1.037 844 HB3 PHE 103 HB3 PHE 103 -8.166 11.130 1.619 845 HD1 PHE 103 HD1 PHE 103 -8.105 13.424 -1.262 846 HD2 PHE 103 HD2 PHE 103 -8.145 9.366 0.029 847 HE1 PHE 103 HE1 PHE 103 -8.620 12.701 -3.557 848 HE2 PHE 103 HE2 PHE 103 -8.665 8.635 -2.264 849 HZ PHE 103 HZ PHE 103 -8.904 10.310 -4.062 850 H GLY 104 H GLY 104 -9.745 15.301 1.127 851 HA2 GLY 104 HA2 GLY 104 -11.973 15.636 0.559 852 HA3 GLY 104 HA3 GLY 104 -12.185 13.895 0.462 853 H LEU 105 H LEU 105 -10.953 15.761 3.199 854 HA LEU 105 HA LEU 105 -13.433 15.372 4.672 855 HB2 LEU 105 HB2 LEU 105 -12.159 13.278 5.016 856 HB3 LEU 105 HB3 LEU 105 -10.809 14.212 5.628 857 HG LEU 105 HG LEU 105 -12.264 14.997 7.496 858 HD11 LEU 105 HD11 LEU 105 -14.192 12.964 6.380 859 HD12 LEU 105 HD12 LEU 105 -14.432 14.710 6.445 860 HD13 LEU 105 HD13 LEU 105 -14.342 13.777 7.938 861 HD21 LEU 105 HD21 LEU 105 -11.933 12.013 7.212 862 HD22 LEU 105 HD22 LEU 105 -12.212 12.877 8.724 863 HD23 LEU 105 HD23 LEU 105 -10.726 13.148 7.817 864 H GLU 106 H GLU 106 -13.678 17.531 5.002 865 HA GLU 106 HA GLU 106 -11.459 18.909 6.369 866 HB2 GLU 106 HB2 GLU 106 -12.232 19.548 3.909 867 HB3 GLU 106 HB3 GLU 106 -13.470 20.439 4.780 868 HG2 GLU 106 HG2 GLU 106 -10.500 20.770 5.138 869 HG3 GLU 106 HG3 GLU 106 -11.542 21.826 4.190 870 H HIS 107 H HIS 107 -11.918 19.572 8.343 871 HA HIS 107 HA HIS 107 -14.456 20.720 9.037 872 HB2 HIS 107 HB2 HIS 107 -14.882 18.257 9.310 873 HB3 HIS 107 HB3 HIS 107 -13.587 18.209 10.498 874 HD1 HIS 107 HD1 HIS 107 -17.170 18.781 10.163 875 HD2 HIS 107 HD2 HIS 107 -14.196 19.799 12.887 876 HE1 HIS 107 HE1 HIS 107 -18.373 19.455 12.262 877 HE2 HIS 107 HE2 HIS 107 -16.553 19.861 13.952 878 H HIS 108 H HIS 108 -13.678 22.513 9.950 879 HA HIS 108 HA HIS 108 -11.443 22.216 11.843 880 HB2 HIS 108 HB2 HIS 108 -10.714 24.505 11.187 881 HB3 HIS 108 HB3 HIS 108 -10.611 23.339 9.880 882 HD1 HIS 108 HD1 HIS 108 -12.421 23.591 7.937 883 HD2 HIS 108 HD2 HIS 108 -12.298 26.704 10.699 884 HE1 HIS 108 HE1 HIS 108 -13.681 25.489 6.882 885 HE2 HIS 108 HE2 HIS 108 -13.489 27.402 8.509 886 H HIS 109 H HIS 109 -12.944 21.943 13.536 887 HA HIS 109 HA HIS 109 -14.386 22.551 15.191 888 HB2 HIS 109 HB2 HIS 109 -13.210 25.304 14.698 889 HB3 HIS 109 HB3 HIS 109 -14.063 24.794 16.149 890 HD1 HIS 109 HD1 HIS 109 -10.737 24.881 14.591 891 HD2 HIS 109 HD2 HIS 109 -12.589 22.877 17.738 892 HE1 HIS 109 HE1 HIS 109 -8.874 23.926 15.984 893 HE2 HIS 109 HE2 HIS 109 -10.011 22.927 17.996 894 H HIS 110 H HIS 110 -14.991 25.741 14.648 895 HA HIS 110 HA HIS 110 -16.591 25.899 12.399 896 HB2 HIS 110 HB2 HIS 110 -18.874 25.984 13.342 897 HB3 HIS 110 HB3 HIS 110 -18.176 24.378 13.456 898 HD1 HIS 110 HD1 HIS 110 -19.610 27.111 15.471 899 HD2 HIS 110 HD2 HIS 110 -17.514 23.580 16.136 900 HE1 HIS 110 HE1 HIS 110 -19.911 26.594 17.912 901 HE2 HIS 110 HE2 HIS 110 -18.627 24.465 18.303 902 H HIS 111 H HIS 111 -15.999 26.915 15.687 903 HA HIS 111 HA HIS 111 -16.233 29.717 14.814 904 HB2 HIS 111 HB2 HIS 111 -17.600 29.211 16.780 905 HB3 HIS 111 HB3 HIS 111 -16.206 28.521 17.601 906 HD1 HIS 111 HD1 HIS 111 -15.194 30.038 19.250 907 HD2 HIS 111 HD2 HIS 111 -17.060 32.134 16.182 908 HE1 HIS 111 HE1 HIS 111 -14.936 32.473 19.836 909 HE2 HIS 111 HE2 HIS 111 -15.994 33.724 17.921 910 H HIS 112 H HIS 112 -14.332 30.116 13.886 911 HA HIS 112 HA HIS 112 -12.123 30.346 13.498 912 HB2 HIS 112 HB2 HIS 112 -12.158 31.648 15.596 913 HB3 HIS 112 HB3 HIS 112 -11.847 30.174 16.508 914 HD1 HIS 112 HD1 HIS 112 -9.460 29.763 17.020 915 HD2 HIS 112 HD2 HIS 112 -9.929 32.177 13.667 916 HE1 HIS 112 HE1 HIS 112 -7.132 30.423 16.327 917 HE2 HIS 112 HE2 HIS 112 -7.434 31.725 14.188 Start of MODEL 5 1 H1 MET 1 H1 MET 1 23.877 -5.788 -0.696 2 H2 MET 1 H2 MET 1 23.797 -7.212 0.217 3 H3 MET 1 H3 MET 1 24.618 -5.854 0.826 4 HA MET 1 HA MET 1 22.557 -4.613 0.896 5 HB2 MET 1 HB2 MET 1 21.406 -5.834 -0.904 6 HB3 MET 1 HB3 MET 1 21.326 -7.268 0.107 7 HG2 MET 1 HG2 MET 1 19.887 -6.090 1.679 8 HG3 MET 1 HG3 MET 1 19.987 -4.637 0.689 9 HE1 MET 1 HE1 MET 1 16.295 -5.820 0.141 10 HE2 MET 1 HE2 MET 1 17.339 -4.470 0.593 11 HE3 MET 1 HE3 MET 1 17.245 -5.899 1.625 12 H ASN 2 H ASN 2 23.372 -4.495 2.955 13 HA ASN 2 HA ASN 2 21.996 -6.094 4.914 14 HB2 ASN 2 HB2 ASN 2 23.966 -6.872 6.111 15 HB3 ASN 2 HB3 ASN 2 24.013 -7.485 4.462 16 HD21 ASN 2 HD21 ASN 2 25.493 -5.400 6.789 17 HD22 ASN 2 HD22 ASN 2 26.908 -5.020 5.865 18 H ASN 3 H ASN 3 22.370 -3.321 3.907 19 HA ASN 3 HA ASN 3 23.728 -1.961 6.127 20 HB2 ASN 3 HB2 ASN 3 22.641 -0.778 3.560 21 HB3 ASN 3 HB3 ASN 3 23.715 0.003 4.711 22 HD21 ASN 3 HD21 ASN 3 23.955 -0.560 1.837 23 HD22 ASN 3 HD22 ASN 3 25.446 -1.422 1.657 24 HA PRO 4 HA PRO 4 19.847 -0.201 7.661 25 HB2 PRO 4 HB2 PRO 4 21.107 2.460 7.663 26 HB3 PRO 4 HB3 PRO 4 20.472 1.524 9.017 27 HG2 PRO 4 HG2 PRO 4 23.110 1.901 8.663 28 HG3 PRO 4 HG3 PRO 4 22.452 0.404 9.350 29 HD2 PRO 4 HD2 PRO 4 23.444 0.950 6.581 30 HD3 PRO 4 HD3 PRO 4 23.663 -0.492 7.593 31 H SER 5 H SER 5 18.318 -0.107 6.145 32 HA SER 5 HA SER 5 16.983 0.642 4.487 33 HB2 SER 5 HB2 SER 5 18.692 3.139 4.547 34 HB3 SER 5 HB3 SER 5 17.157 2.967 3.701 35 HG SER 5 HG SER 5 17.144 2.305 6.404 36 H ASP 6 H ASP 6 17.904 -1.100 3.235 37 HA ASP 6 HA ASP 6 19.630 -0.181 1.049 38 HB2 ASP 6 HB2 ASP 6 18.822 -2.913 2.002 39 HB3 ASP 6 HB3 ASP 6 19.447 -2.682 0.376 40 H PHE 7 H PHE 7 16.590 0.046 1.711 41 HA PHE 7 HA PHE 7 15.438 -1.009 -0.730 42 HB2 PHE 7 HB2 PHE 7 13.946 0.568 1.337 43 HB3 PHE 7 HB3 PHE 7 13.372 -0.702 0.281 44 HD1 PHE 7 HD1 PHE 7 14.086 -3.082 0.709 45 HD2 PHE 7 HD2 PHE 7 14.707 0.060 3.511 46 HE1 PHE 7 HE1 PHE 7 14.398 -4.740 2.499 47 HE2 PHE 7 HE2 PHE 7 15.016 -1.592 5.301 48 HZ PHE 7 HZ PHE 7 14.863 -3.999 4.802 49 H LYS 8 H LYS 8 14.985 0.230 -2.438 50 HA LYS 8 HA LYS 8 15.687 3.048 -2.289 51 HB2 LYS 8 HB2 LYS 8 15.067 1.315 -4.676 52 HB3 LYS 8 HB3 LYS 8 15.730 2.933 -4.710 53 HG2 LYS 8 HG2 LYS 8 17.669 1.954 -3.343 54 HG3 LYS 8 HG3 LYS 8 17.035 0.388 -3.854 55 HD2 LYS 8 HD2 LYS 8 18.724 1.013 -5.414 56 HD3 LYS 8 HD3 LYS 8 17.165 1.217 -6.219 57 HE2 LYS 8 HE2 LYS 8 17.230 3.619 -5.650 58 HE3 LYS 8 HE3 LYS 8 18.829 3.383 -4.952 59 HZ1 LYS 8 HZ1 LYS 8 19.410 2.458 -7.262 60 HZ2 LYS 8 HZ2 LYS 8 19.279 4.135 -7.071 61 HZ3 LYS 8 HZ3 LYS 8 18.006 3.265 -7.782 62 H SER 9 H SER 9 12.923 1.079 -2.341 63 HA SER 9 HA SER 9 11.226 3.363 -2.988 64 HB2 SER 9 HB2 SER 9 11.749 2.208 -5.144 65 HB3 SER 9 HB3 SER 9 10.988 0.755 -4.500 66 HG SER 9 HG SER 9 9.848 2.866 -5.681 67 H PHE 10 H PHE 10 8.837 2.680 -2.835 68 HA PHE 10 HA PHE 10 8.400 1.840 -0.196 69 HB2 PHE 10 HB2 PHE 10 6.012 1.949 -0.733 70 HB3 PHE 10 HB3 PHE 10 6.860 3.355 -1.347 71 HD1 PHE 10 HD2 PHE 10 7.333 3.525 -3.798 72 HD2 PHE 10 HD1 PHE 10 4.833 0.493 -2.159 73 HE1 PHE 10 HE2 PHE 10 6.380 3.108 -6.025 74 HE2 PHE 10 HE1 PHE 10 3.881 0.073 -4.386 75 HZ PHE 10 HZ PHE 10 4.652 1.380 -6.324 76 H HIS 11 H HIS 11 8.186 0.114 -3.257 77 HA HIS 11 HA HIS 11 6.826 -2.142 -2.262 78 HB2 HIS 11 HB2 HIS 11 7.620 -3.330 -4.277 79 HB3 HIS 11 HB3 HIS 11 6.916 -1.766 -4.650 80 HD1 HIS 11 HD1 HIS 11 10.231 -3.564 -4.584 81 HD2 HIS 11 HD2 HIS 11 8.591 0.008 -5.927 82 HE1 HIS 11 HE1 HIS 11 11.966 -2.551 -6.088 83 HE2 HIS 11 HE2 HIS 11 10.857 -0.511 -7.053 84 H ASP 12 H ASP 12 10.128 -1.170 -2.069 85 HA ASP 12 HA ASP 12 11.115 -3.754 -1.286 86 HB2 ASP 12 HB2 ASP 12 12.374 -1.012 -1.042 87 HB3 ASP 12 HB3 ASP 12 13.205 -2.545 -0.840 88 H PHE 13 H PHE 13 10.328 -0.699 0.313 89 HA PHE 13 HA PHE 13 11.069 -1.442 2.910 90 HB2 PHE 13 HB2 PHE 13 9.306 0.653 1.708 91 HB3 PHE 13 HB3 PHE 13 9.288 0.407 3.443 92 HD1 PHE 13 HD1 PHE 13 11.539 0.525 4.672 93 HD2 PHE 13 HD2 PHE 13 10.915 1.993 0.724 94 HE1 PHE 13 HE1 PHE 13 13.526 1.960 4.893 95 HE2 PHE 13 HE2 PHE 13 12.900 3.426 0.938 96 HZ PHE 13 HZ PHE 13 14.211 3.412 3.025 97 H VAL 14 H VAL 14 7.917 -1.473 1.261 98 HA VAL 14 HA VAL 14 6.381 -2.404 3.400 99 HB VAL 14 HB VAL 14 5.942 -2.859 0.439 100 HG11 VAL 14 HG11 VAL 14 3.994 -3.117 2.731 101 HG12 VAL 14 HG12 VAL 14 4.650 -4.443 1.771 102 HG13 VAL 14 HG13 VAL 14 3.596 -3.248 1.017 103 HG21 VAL 14 HG21 VAL 14 4.840 -0.748 2.295 104 HG22 VAL 14 HG22 VAL 14 4.412 -0.953 0.595 105 HG23 VAL 14 HG23 VAL 14 6.056 -0.497 1.043 106 H ALA 15 H ALA 15 8.243 -4.159 0.956 107 HA ALA 15 HA ALA 15 7.241 -6.725 1.542 108 HB1 ALA 15 HB1 ALA 15 9.121 -7.564 0.268 109 HB2 ALA 15 HB2 ALA 15 9.927 -5.999 0.382 110 HB3 ALA 15 HB3 ALA 15 8.426 -6.154 -0.532 111 H SER 16 H SER 16 9.720 -4.794 3.056 112 HA SER 16 HA SER 16 10.850 -7.035 4.490 113 HB2 SER 16 HB2 SER 16 12.216 -5.061 3.767 114 HB3 SER 16 HB3 SER 16 11.325 -4.078 4.926 115 HG SER 16 HG SER 16 12.921 -4.685 6.187 116 H TYR 17 H TYR 17 8.661 -4.355 5.143 117 HA TYR 17 HA TYR 17 8.537 -4.854 7.966 118 HB2 TYR 17 HB2 TYR 17 8.156 -2.618 6.846 119 HB3 TYR 17 HB3 TYR 17 6.604 -3.237 6.295 120 HD1 TYR 17 HD2 TYR 17 8.571 -2.281 9.264 121 HD2 TYR 17 HD1 TYR 17 4.727 -3.361 7.786 122 HE1 TYR 17 HE2 TYR 17 7.559 -1.559 11.383 123 HE2 TYR 17 HE1 TYR 17 3.707 -2.637 9.903 124 HH TYR 17 HH TYR 17 4.412 -2.344 12.270 125 H MET 18 H MET 18 6.614 -5.694 5.154 126 HA MET 18 HA MET 18 4.289 -6.544 6.461 127 HB2 MET 18 HB2 MET 18 4.378 -6.089 4.054 128 HB3 MET 18 HB3 MET 18 5.416 -7.486 3.821 129 HG2 MET 18 HG2 MET 18 3.667 -8.983 4.423 130 HG3 MET 18 HG3 MET 18 2.633 -7.653 4.939 131 HE1 MET 18 HE1 MET 18 2.988 -5.495 2.711 132 HE2 MET 18 HE2 MET 18 1.407 -5.995 3.313 133 HE3 MET 18 HE3 MET 18 1.708 -5.928 1.577 134 H LYS 19 H LYS 19 7.341 -8.154 5.946 135 HA LYS 19 HA LYS 19 6.724 -10.823 6.220 136 HB2 LYS 19 HB2 LYS 19 9.041 -9.340 7.462 137 HB3 LYS 19 HB3 LYS 19 8.943 -11.086 7.295 138 HG2 LYS 19 HG2 LYS 19 8.918 -10.878 4.881 139 HG3 LYS 19 HG3 LYS 19 8.958 -9.117 5.021 140 HD2 LYS 19 HD2 LYS 19 11.117 -9.227 6.115 141 HD3 LYS 19 HD3 LYS 19 11.062 -10.988 6.085 142 HE2 LYS 19 HE2 LYS 19 11.045 -10.926 3.625 143 HE3 LYS 19 HE3 LYS 19 11.146 -9.167 3.681 144 HZ1 LYS 19 HZ1 LYS 19 13.318 -10.006 3.329 145 HZ2 LYS 19 HZ2 LYS 19 13.183 -11.113 4.605 146 HZ3 LYS 19 HZ3 LYS 19 13.263 -9.450 4.930 147 H THR 20 H THR 20 6.878 -8.386 8.744 148 HA THR 20 HA THR 20 6.466 -10.280 10.872 149 HB THR 20 HB THR 20 6.220 -7.266 10.931 150 HG1 THR 20 HG1 THR 20 8.316 -7.525 10.505 151 HG21 THR 20 HG21 THR 20 6.628 -9.280 13.147 152 HG22 THR 20 HG22 THR 20 5.155 -8.359 12.842 153 HG23 THR 20 HG23 THR 20 6.629 -7.527 13.341 154 H TYR 21 H TYR 21 4.480 -8.021 9.022 155 HA TYR 21 HA TYR 21 2.156 -8.270 10.636 156 HB2 TYR 21 HB2 TYR 21 2.520 -6.326 9.180 157 HB3 TYR 21 HB3 TYR 21 2.438 -7.362 7.759 158 HD1 TYR 21 HD2 TYR 21 0.427 -6.262 10.693 159 HD2 TYR 21 HD1 TYR 21 0.397 -7.697 6.691 160 HE1 TYR 21 HE2 TYR 21 -2.005 -5.920 10.597 161 HE2 TYR 21 HE1 TYR 21 -2.033 -7.358 6.580 162 HH TYR 21 HH TYR 21 -3.748 -5.551 8.892 163 H SER 22 H SER 22 3.407 -10.034 7.871 164 HA SER 22 HA SER 22 1.009 -11.369 7.182 165 HB2 SER 22 HB2 SER 22 2.557 -12.964 5.999 166 HB3 SER 22 HB3 SER 22 2.786 -11.268 5.574 167 HG SER 22 HG SER 22 4.432 -12.989 7.033 168 H ARG 23 H ARG 23 3.047 -11.715 9.856 169 HA ARG 23 HA ARG 23 2.590 -14.502 10.320 170 HB2 ARG 23 HB2 ARG 23 3.548 -12.308 12.156 171 HB3 ARG 23 HB3 ARG 23 3.516 -14.014 12.574 172 HG2 ARG 23 HG2 ARG 23 5.088 -14.495 10.775 173 HG3 ARG 23 HG3 ARG 23 5.109 -12.789 10.333 174 HD2 ARG 23 HD2 ARG 23 7.055 -13.316 11.661 175 HD3 ARG 23 HD3 ARG 23 5.989 -12.238 12.559 176 HE ARG 23 HE ARG 23 5.199 -14.609 13.491 177 HH11 ARG 23 HH11 ARG 23 8.415 -13.323 12.970 178 HH12 ARG 23 HH12 ARG 23 9.135 -14.218 14.272 179 HH21 ARG 23 HH21 ARG 23 6.132 -15.802 15.208 180 HH22 ARG 23 HH22 ARG 23 7.823 -15.618 15.571 181 H ARG 24 H ARG 24 0.962 -11.524 11.070 182 HA ARG 24 HA ARG 24 -0.974 -12.999 12.715 183 HB2 ARG 24 HB2 ARG 24 -1.658 -10.854 13.639 184 HB3 ARG 24 HB3 ARG 24 0.069 -11.095 13.849 185 HG2 ARG 24 HG2 ARG 24 0.441 -9.651 11.847 186 HG3 ARG 24 HG3 ARG 24 -1.292 -9.310 11.848 187 HD2 ARG 24 HD2 ARG 24 0.695 -8.681 14.022 188 HD3 ARG 24 HD3 ARG 24 -0.180 -7.537 13.007 189 HE ARG 24 HE ARG 24 -2.243 -8.569 14.140 190 HH11 ARG 24 HH11 ARG 24 0.881 -8.162 15.694 191 HH12 ARG 24 HH12 ARG 24 0.197 -8.021 17.286 192 HH21 ARG 24 HH21 ARG 24 -3.120 -8.370 16.233 193 HH22 ARG 24 HH22 ARG 24 -2.063 -8.135 17.594 194 H LEU 25 H LEU 25 -0.593 -12.450 9.667 195 HA LEU 25 HA LEU 25 -3.445 -11.897 9.172 196 HB2 LEU 25 HB2 LEU 25 -1.685 -10.394 8.043 197 HB3 LEU 25 HB3 LEU 25 -1.238 -11.803 7.117 198 HG LEU 25 HG LEU 25 -3.533 -11.904 6.211 199 HD11 LEU 25 HD11 LEU 25 -5.011 -9.975 6.506 200 HD12 LEU 25 HD12 LEU 25 -3.883 -9.290 7.676 201 HD13 LEU 25 HD13 LEU 25 -4.711 -10.806 8.033 202 HD21 LEU 25 HD21 LEU 25 -1.761 -10.785 4.971 203 HD22 LEU 25 HD22 LEU 25 -2.099 -9.277 5.822 204 HD23 LEU 25 HD23 LEU 25 -3.305 -9.965 4.733 205 H GLU 26 H GLU 26 -4.606 -13.566 8.271 206 HA GLU 26 HA GLU 26 -3.544 -16.140 8.160 207 HB2 GLU 26 HB2 GLU 26 -5.601 -16.809 7.184 208 HB3 GLU 26 HB3 GLU 26 -5.972 -15.532 8.323 209 HG2 GLU 26 HG2 GLU 26 -6.190 -13.947 6.535 210 HG3 GLU 26 HG3 GLU 26 -5.698 -15.158 5.357 211 H ILE 27 H ILE 27 -2.964 -17.450 6.417 212 HA ILE 27 HA ILE 27 -1.318 -16.087 4.537 213 HB ILE 27 HB ILE 27 -2.069 -19.017 4.572 214 HG12 ILE 27 HG12 ILE 27 -1.087 -18.349 6.711 215 HG13 ILE 27 HG13 ILE 27 0.052 -19.337 5.800 216 HG21 ILE 27 HG21 ILE 27 -1.108 -18.319 2.452 217 HG22 ILE 27 HG22 ILE 27 0.029 -19.334 3.339 218 HG23 ILE 27 HG23 ILE 27 0.258 -17.586 3.292 219 HD11 ILE 27 HD11 ILE 27 1.161 -17.468 6.887 220 HD12 ILE 27 HD12 ILE 27 0.114 -16.336 6.028 221 HD13 ILE 27 HD13 ILE 27 1.260 -17.332 5.131 222 H GLY 28 H GLY 28 -4.530 -17.394 4.462 223 HA2 GLY 28 HA2 GLY 28 -4.952 -17.789 1.753 224 HA3 GLY 28 HA3 GLY 28 -6.188 -17.265 2.885 225 H THR 29 H THR 29 -5.337 -14.752 3.575 226 HA THR 29 HA THR 29 -6.007 -13.325 1.170 227 HB THR 29 HB THR 29 -7.056 -12.608 3.222 228 HG1 THR 29 HG1 THR 29 -6.731 -10.921 1.797 229 HG21 THR 29 HG21 THR 29 -4.294 -11.944 4.230 230 HG22 THR 29 HG22 THR 29 -5.325 -13.252 4.811 231 HG23 THR 29 HG23 THR 29 -5.812 -11.574 5.046 232 H PHE 30 H PHE 30 -3.219 -13.331 3.409 233 HA PHE 30 HA PHE 30 -1.586 -11.504 2.189 234 HB2 PHE 30 HB2 PHE 30 -1.019 -12.548 4.292 235 HB3 PHE 30 HB3 PHE 30 -0.858 -14.120 3.519 236 HD1 PHE 30 HD1 PHE 30 0.527 -10.672 3.102 237 HD2 PHE 30 HD2 PHE 30 1.274 -14.861 3.195 238 HE1 PHE 30 HE1 PHE 30 2.925 -10.247 2.761 239 HE2 PHE 30 HE2 PHE 30 3.674 -14.442 2.855 240 HZ PHE 30 HZ PHE 30 4.501 -12.133 2.636 241 H ARG 31 H ARG 31 -1.943 -14.929 1.313 242 HA ARG 31 HA ARG 31 0.204 -14.999 -0.522 243 HB2 ARG 31 HB2 ARG 31 -1.100 -16.912 0.657 244 HB3 ARG 31 HB3 ARG 31 -2.200 -16.793 -0.708 245 HG2 ARG 31 HG2 ARG 31 -0.402 -17.290 -2.242 246 HG3 ARG 31 HG3 ARG 31 0.753 -17.328 -0.907 247 HD2 ARG 31 HD2 ARG 31 -0.457 -19.206 0.087 248 HD3 ARG 31 HD3 ARG 31 -1.619 -19.164 -1.238 249 HE ARG 31 HE ARG 31 0.593 -19.532 -2.610 250 HH11 ARG 31 HH11 ARG 31 -0.386 -21.034 0.398 251 HH12 ARG 31 HH12 ARG 31 0.472 -22.507 0.088 252 HH21 ARG 31 HH21 ARG 31 1.736 -21.458 -3.012 253 HH22 ARG 31 HH22 ARG 31 1.674 -22.759 -1.850 254 H HIS 32 H HIS 32 -3.017 -13.767 -0.830 255 HA HIS 32 HA HIS 32 -3.336 -14.162 -3.636 256 HB2 HIS 32 HB2 HIS 32 -4.666 -12.255 -1.714 257 HB3 HIS 32 HB3 HIS 32 -5.069 -12.317 -3.421 258 HD1 HIS 32 HD1 HIS 32 -4.913 -15.555 -3.485 259 HD2 HIS 32 HD2 HIS 32 -7.163 -13.161 -0.929 260 HE1 HIS 32 HE1 HIS 32 -6.834 -16.990 -2.718 261 HE2 HIS 32 HE2 HIS 32 -8.243 -15.487 -1.262 262 H HIS 33 H HIS 33 -1.708 -11.786 -1.710 263 HA HIS 33 HA HIS 33 -0.960 -10.319 -4.137 264 HB2 HIS 33 HB2 HIS 33 -2.967 -9.319 -2.748 265 HB3 HIS 33 HB3 HIS 33 -1.689 -8.787 -1.663 266 HD1 HIS 33 HD1 HIS 33 -2.558 -8.529 -5.360 267 HD2 HIS 33 HD2 HIS 33 -0.664 -6.373 -2.349 268 HE1 HIS 33 HE1 HIS 33 -2.020 -6.292 -6.364 269 HE2 HIS 33 HE2 HIS 33 -1.116 -4.933 -4.451 270 H LYS 34 H LYS 34 0.696 -12.050 -3.131 271 HA LYS 34 HA LYS 34 2.145 -11.036 -0.829 272 HB2 LYS 34 HB2 LYS 34 1.531 -13.391 -0.895 273 HB3 LYS 34 HB3 LYS 34 2.393 -13.596 -2.411 274 HG2 LYS 34 HG2 LYS 34 4.504 -13.165 -1.297 275 HG3 LYS 34 HG3 LYS 34 3.658 -12.890 0.228 276 HD2 LYS 34 HD2 LYS 34 2.863 -15.184 0.230 277 HD3 LYS 34 HD3 LYS 34 3.609 -15.465 -1.346 278 HE2 LYS 34 HE2 LYS 34 5.804 -15.023 -0.371 279 HE3 LYS 34 HE3 LYS 34 5.063 -14.769 1.204 280 HZ1 LYS 34 HZ1 LYS 34 4.959 -17.308 -0.340 281 HZ2 LYS 34 HZ2 LYS 34 4.342 -17.058 1.222 282 HZ3 LYS 34 HZ3 LYS 34 6.015 -16.997 0.948 283 H SER 35 H SER 35 2.872 -11.942 -4.203 284 HA SER 35 HA SER 35 5.552 -10.779 -3.850 285 HB2 SER 35 HB2 SER 35 4.591 -12.540 -6.116 286 HB3 SER 35 HB3 SER 35 6.259 -12.143 -5.700 287 HG SER 35 HG SER 35 4.431 -13.801 -4.315 288 H CYS 36 H CYS 36 2.666 -9.740 -4.787 289 HA CYS 36 HA CYS 36 2.949 -8.834 -7.421 290 HB2 CYS 36 HB2 CYS 36 1.244 -7.740 -5.183 291 HB3 CYS 36 HB3 CYS 36 1.064 -7.320 -6.882 292 HG CYS 36 HG CYS 36 0.859 -10.346 -7.263 293 H MET 37 H MET 37 3.227 -6.926 -4.417 294 HA MET 37 HA MET 37 3.639 -4.461 -5.563 295 HB2 MET 37 HB2 MET 37 4.786 -5.479 -2.962 296 HB3 MET 37 HB3 MET 37 4.693 -3.785 -3.425 297 HG2 MET 37 HG2 MET 37 2.894 -4.179 -1.965 298 HG3 MET 37 HG3 MET 37 2.204 -4.078 -3.582 299 HE1 MET 37 HE1 MET 37 2.783 -7.995 -1.209 300 HE2 MET 37 HE2 MET 37 3.108 -6.388 -0.561 301 HE3 MET 37 HE3 MET 37 4.138 -7.052 -1.828 302 H ARG 38 H ARG 38 6.061 -6.939 -4.922 303 HA ARG 38 HA ARG 38 8.323 -5.256 -5.186 304 HB2 ARG 38 HB2 ARG 38 8.052 -7.690 -4.212 305 HB3 ARG 38 HB3 ARG 38 8.458 -8.166 -5.850 306 HG2 ARG 38 HG2 ARG 38 10.530 -6.857 -5.709 307 HG3 ARG 38 HG3 ARG 38 10.139 -6.448 -4.038 308 HD2 ARG 38 HD2 ARG 38 10.052 -8.933 -3.587 309 HD3 ARG 38 HD3 ARG 38 10.752 -9.160 -5.189 310 HE ARG 38 HE ARG 38 12.132 -7.473 -3.214 311 HH11 ARG 38 HH11 ARG 38 12.075 -10.301 -5.282 312 HH12 ARG 38 HH12 ARG 38 13.735 -10.720 -4.983 313 HH21 ARG 38 HH21 ARG 38 14.310 -8.048 -2.782 314 HH22 ARG 38 HH22 ARG 38 15.003 -9.439 -3.568 315 H LYS 39 H LYS 39 6.644 -7.394 -7.440 316 HA LYS 39 HA LYS 39 8.532 -6.729 -9.546 317 HB2 LYS 39 HB2 LYS 39 8.044 -9.022 -9.389 318 HB3 LYS 39 HB3 LYS 39 6.316 -8.738 -9.280 319 HG2 LYS 39 HG2 LYS 39 7.491 -7.736 -11.748 320 HG3 LYS 39 HG3 LYS 39 7.687 -9.479 -11.529 321 HD2 LYS 39 HD2 LYS 39 5.060 -8.033 -11.218 322 HD3 LYS 39 HD3 LYS 39 5.590 -8.787 -12.720 323 HE2 LYS 39 HE2 LYS 39 5.229 -10.201 -10.082 324 HE3 LYS 39 HE3 LYS 39 4.091 -10.243 -11.427 325 HZ1 LYS 39 HZ1 LYS 39 5.430 -12.204 -11.493 326 HZ2 LYS 39 HZ2 LYS 39 6.865 -11.306 -11.405 327 HZ3 LYS 39 HZ3 LYS 39 5.895 -11.214 -12.790 328 H PHE 40 H PHE 40 5.222 -6.062 -8.655 329 HA PHE 40 HA PHE 40 4.294 -5.192 -11.178 330 HB2 PHE 40 HB2 PHE 40 2.860 -5.762 -9.185 331 HB3 PHE 40 HB3 PHE 40 3.343 -4.230 -8.471 332 HD1 PHE 40 HD1 PHE 40 1.505 -5.788 -11.257 333 HD2 PHE 40 HD2 PHE 40 2.337 -2.185 -9.145 334 HE1 PHE 40 HE1 PHE 40 -0.339 -4.670 -12.442 335 HE2 PHE 40 HE2 PHE 40 0.495 -1.062 -10.328 336 HZ PHE 40 HZ PHE 40 -0.842 -2.304 -11.981 337 H LYS 41 H LYS 41 6.295 -3.737 -8.790 338 HA LYS 41 HA LYS 41 6.321 -1.266 -10.384 339 HB2 LYS 41 HB2 LYS 41 5.355 -1.366 -7.830 340 HB3 LYS 41 HB3 LYS 41 7.043 -0.974 -7.543 341 HG2 LYS 41 HG2 LYS 41 5.748 1.052 -7.672 342 HG3 LYS 41 HG3 LYS 41 6.829 0.956 -9.066 343 HD2 LYS 41 HD2 LYS 41 5.032 0.269 -10.494 344 HD3 LYS 41 HD3 LYS 41 3.941 0.093 -9.119 345 HE2 LYS 41 HE2 LYS 41 3.451 2.142 -10.308 346 HE3 LYS 41 HE3 LYS 41 4.094 2.512 -8.711 347 HZ1 LYS 41 HZ1 LYS 41 6.248 2.943 -9.729 348 HZ2 LYS 41 HZ2 LYS 41 5.055 3.942 -10.390 349 HZ3 LYS 41 HZ3 LYS 41 5.617 2.599 -11.262 350 H GLU 42 H GLU 42 8.090 -1.969 -11.531 351 HA GLU 42 HA GLU 42 10.499 -2.739 -10.084 352 HB2 GLU 42 HB2 GLU 42 11.386 -3.211 -12.357 353 HB3 GLU 42 HB3 GLU 42 9.932 -4.115 -11.974 354 HG2 GLU 42 HG2 GLU 42 8.617 -2.470 -13.267 355 HG3 GLU 42 HG3 GLU 42 10.119 -1.661 -13.710 356 H TYR 43 H TYR 43 9.074 0.064 -11.082 357 HA TYR 43 HA TYR 43 11.684 1.410 -11.279 358 HB2 TYR 43 HB2 TYR 43 9.841 1.291 -13.309 359 HB3 TYR 43 HB3 TYR 43 9.418 2.811 -12.526 360 HD1 TYR 43 HD2 TYR 43 12.215 0.952 -14.091 361 HD2 TYR 43 HD1 TYR 43 10.736 4.748 -12.866 362 HE1 TYR 43 HE2 TYR 43 14.083 2.047 -15.255 363 HE2 TYR 43 HE1 TYR 43 12.600 5.856 -14.026 364 HH TYR 43 HH TYR 43 14.894 5.308 -14.784 365 H CYS 44 H CYS 44 10.949 3.987 -11.087 366 HA CYS 44 HA CYS 44 10.411 5.653 -9.669 367 HB2 CYS 44 HB2 CYS 44 8.334 3.726 -8.610 368 HB3 CYS 44 HB3 CYS 44 8.429 5.441 -8.214 369 HG CYS 44 HG CYS 44 7.533 6.414 -10.509 370 H GLU 45 H GLU 45 12.346 5.707 -8.648 371 HA GLU 45 HA GLU 45 12.505 4.322 -6.048 372 HB2 GLU 45 HB2 GLU 45 15.004 4.539 -6.321 373 HB3 GLU 45 HB3 GLU 45 14.228 3.426 -7.441 374 HG2 GLU 45 HG2 GLU 45 14.451 4.906 -9.242 375 HG3 GLU 45 HG3 GLU 45 14.800 6.274 -8.185 376 H GLY 46 H GLY 46 14.021 5.533 -4.497 377 HA2 GLY 46 HA2 GLY 46 14.501 7.429 -3.294 378 HA3 GLY 46 HA3 GLY 46 14.459 8.311 -4.815 379 H LEU 47 H LEU 47 11.979 6.526 -3.014 380 HA LEU 47 HA LEU 47 10.149 8.748 -3.492 381 HB2 LEU 47 HB2 LEU 47 9.523 6.398 -4.092 382 HB3 LEU 47 HB3 LEU 47 9.564 5.995 -2.387 383 HG LEU 47 HG LEU 47 7.772 8.220 -3.258 384 HD11 LEU 47 HD11 LEU 47 5.994 6.613 -3.773 385 HD12 LEU 47 HD12 LEU 47 7.154 5.292 -3.628 386 HD13 LEU 47 HD13 LEU 47 7.337 6.490 -4.909 387 HD21 LEU 47 HD21 LEU 47 7.993 7.675 -0.885 388 HD22 LEU 47 HD22 LEU 47 7.513 6.011 -1.217 389 HD23 LEU 47 HD23 LEU 47 6.366 7.326 -1.470 390 H GLN 48 H GLN 48 10.142 10.265 -1.990 391 HA GLN 48 HA GLN 48 10.519 9.559 0.824 392 HB2 GLN 48 HB2 GLN 48 10.563 12.141 -0.706 393 HB3 GLN 48 HB3 GLN 48 10.337 12.150 1.028 394 HG2 GLN 48 HG2 GLN 48 12.661 12.552 0.355 395 HG3 GLN 48 HG3 GLN 48 12.477 11.131 1.379 396 HE21 GLN 48 HE21 GLN 48 13.004 9.149 0.590 397 HE22 GLN 48 HE22 GLN 48 13.763 8.901 -0.943 398 H PHE 49 H PHE 49 9.113 11.063 2.285 399 HA PHE 49 HA PHE 49 6.540 10.016 2.239 400 HB2 PHE 49 HB2 PHE 49 6.056 11.590 4.072 401 HB3 PHE 49 HB3 PHE 49 7.596 10.775 4.273 402 HD1 PHE 49 HD1 PHE 49 9.708 11.993 3.929 403 HD2 PHE 49 HD2 PHE 49 5.930 13.952 3.842 404 HE1 PHE 49 HE1 PHE 49 10.830 14.157 4.243 405 HE2 PHE 49 HE2 PHE 49 7.047 16.121 4.150 406 HZ PHE 49 HZ PHE 49 9.501 16.227 4.349 407 H HIS 50 H HIS 50 7.738 13.022 0.939 408 HA HIS 50 HA HIS 50 5.220 14.270 0.619 409 HB2 HIS 50 HB2 HIS 50 6.333 15.886 -0.822 410 HB3 HIS 50 HB3 HIS 50 7.294 15.571 0.613 411 HD1 HIS 50 HD1 HIS 50 9.705 15.235 0.181 412 HD2 HIS 50 HD2 HIS 50 7.388 14.347 -3.164 413 HE1 HIS 50 HE1 HIS 50 11.336 14.666 -1.652 414 HE2 HIS 50 HE2 HIS 50 9.918 14.096 -3.656 415 H GLU 51 H GLU 51 6.487 11.624 -1.024 416 HA GLU 51 HA GLU 51 5.036 12.176 -3.493 417 HB2 GLU 51 HB2 GLU 51 6.733 9.847 -2.601 418 HB3 GLU 51 HB3 GLU 51 5.835 9.846 -4.112 419 HG2 GLU 51 HG2 GLU 51 8.024 11.756 -3.333 420 HG3 GLU 51 HG3 GLU 51 8.141 10.433 -4.493 421 H LEU 52 H LEU 52 4.574 10.584 -0.485 422 HA LEU 52 HA LEU 52 2.355 8.996 -1.549 423 HB2 LEU 52 HB2 LEU 52 4.278 8.156 0.066 424 HB3 LEU 52 HB3 LEU 52 3.243 8.845 1.298 425 HG LEU 52 HG LEU 52 2.889 6.435 1.048 426 HD11 LEU 52 HD11 LEU 52 0.530 8.071 0.130 427 HD12 LEU 52 HD12 LEU 52 1.022 7.791 1.801 428 HD13 LEU 52 HD13 LEU 52 0.455 6.447 0.811 429 HD21 LEU 52 HD21 LEU 52 1.849 5.549 -0.990 430 HD22 LEU 52 HD22 LEU 52 3.464 6.193 -1.288 431 HD23 LEU 52 HD23 LEU 52 2.043 7.125 -1.760 432 H THR 53 H THR 53 0.837 10.592 -1.814 433 HA THR 53 HA THR 53 -0.203 11.766 0.676 434 HB THR 53 HB THR 53 -0.997 13.686 -0.740 435 HG1 THR 53 HG1 THR 53 0.826 13.417 -2.714 436 HG21 THR 53 HG21 THR 53 1.001 13.920 0.645 437 HG22 THR 53 HG22 THR 53 1.191 14.806 -0.868 438 HG23 THR 53 HG23 THR 53 1.993 13.251 -0.650 439 H GLU 54 H GLU 54 -2.583 12.513 0.278 440 HA GLU 54 HA GLU 54 -4.198 10.359 -0.504 441 HB2 GLU 54 HB2 GLU 54 -5.056 12.037 0.994 442 HB3 GLU 54 HB3 GLU 54 -4.795 13.305 -0.189 443 HG2 GLU 54 HG2 GLU 54 -6.682 11.068 -0.786 444 HG3 GLU 54 HG3 GLU 54 -7.183 12.407 0.245 445 H ASP 55 H ASP 55 -2.966 13.131 -2.235 446 HA ASP 55 HA ASP 55 -4.453 12.999 -4.587 447 HB2 ASP 55 HB2 ASP 55 -2.615 14.689 -3.748 448 HB3 ASP 55 HB3 ASP 55 -1.532 13.653 -4.670 449 H PHE 56 H PHE 56 -1.464 11.357 -3.658 450 HA PHE 56 HA PHE 56 -1.022 9.963 -6.057 451 HB2 PHE 56 HB2 PHE 56 0.718 10.179 -4.373 452 HB3 PHE 56 HB3 PHE 56 -0.245 9.267 -3.218 453 HD1 PHE 56 HD2 PHE 56 1.662 9.031 -6.368 454 HD2 PHE 56 HD1 PHE 56 -0.220 6.898 -3.199 455 HE1 PHE 56 HE2 PHE 56 2.730 6.953 -7.136 456 HE2 PHE 56 HE1 PHE 56 0.851 4.820 -3.962 457 HZ PHE 56 HZ PHE 56 2.325 4.843 -5.935 458 H LEU 57 H LEU 57 -2.699 8.971 -3.075 459 HA LEU 57 HA LEU 57 -3.443 6.408 -3.912 460 HB2 LEU 57 HB2 LEU 57 -4.546 8.359 -1.931 461 HB3 LEU 57 HB3 LEU 57 -5.437 6.895 -2.283 462 HG LEU 57 HG LEU 57 -4.039 6.718 -0.259 463 HD11 LEU 57 HD11 LEU 57 -3.222 4.913 -2.523 464 HD12 LEU 57 HD12 LEU 57 -4.626 4.709 -1.476 465 HD13 LEU 57 HD13 LEU 57 -3.000 4.569 -0.808 466 HD21 LEU 57 HD21 LEU 57 -2.177 8.141 -0.943 467 HD22 LEU 57 HD22 LEU 57 -1.714 6.949 -2.158 468 HD23 LEU 57 HD23 LEU 57 -1.617 6.544 -0.445 469 H ARG 58 H ARG 58 -5.087 9.526 -4.251 470 HA ARG 58 HA ARG 58 -7.428 8.654 -5.486 471 HB2 ARG 58 HB2 ARG 58 -6.963 10.902 -4.527 472 HB3 ARG 58 HB3 ARG 58 -5.915 11.234 -5.896 473 HG2 ARG 58 HG2 ARG 58 -7.987 10.725 -7.323 474 HG3 ARG 58 HG3 ARG 58 -8.880 10.965 -5.817 475 HD2 ARG 58 HD2 ARG 58 -7.080 12.912 -7.230 476 HD3 ARG 58 HD3 ARG 58 -8.803 13.040 -6.937 477 HE ARG 58 HE ARG 58 -7.463 12.855 -4.467 478 HH11 ARG 58 HH11 ARG 58 -7.934 15.065 -7.150 479 HH12 ARG 58 HH12 ARG 58 -7.713 16.494 -6.178 480 HH21 ARG 58 HH21 ARG 58 -7.142 14.725 -3.192 481 HH22 ARG 58 HH22 ARG 58 -7.297 16.297 -3.926 482 H ASP 59 H ASP 59 -4.366 9.805 -6.855 483 HA ASP 59 HA ASP 59 -5.060 9.582 -9.562 484 HB2 ASP 59 HB2 ASP 59 -3.148 10.879 -8.839 485 HB3 ASP 59 HB3 ASP 59 -2.365 9.439 -8.203 486 H TYR 60 H TYR 60 -3.537 7.294 -7.352 487 HA TYR 60 HA TYR 60 -3.029 5.273 -9.260 488 HB2 TYR 60 HB2 TYR 60 -2.262 5.598 -6.727 489 HB3 TYR 60 HB3 TYR 60 -3.642 4.546 -6.431 490 HD1 TYR 60 HD1 TYR 60 -3.699 2.281 -7.606 491 HD2 TYR 60 HD2 TYR 60 -0.217 4.723 -7.453 492 HE1 TYR 60 HE1 TYR 60 -2.310 0.322 -8.142 493 HE2 TYR 60 HE2 TYR 60 1.180 2.776 -7.992 494 HH TYR 60 HH TYR 60 -0.036 -0.103 -9.173 495 H LEU 61 H LEU 61 -5.793 6.028 -7.211 496 HA LEU 61 HA LEU 61 -7.391 3.792 -7.799 497 HB2 LEU 61 HB2 LEU 61 -7.987 5.271 -6.019 498 HB3 LEU 61 HB3 LEU 61 -8.083 6.639 -7.104 499 HG LEU 61 HG LEU 61 -10.055 5.581 -8.195 500 HD11 LEU 61 HD11 LEU 61 -9.582 3.261 -7.594 501 HD12 LEU 61 HD12 LEU 61 -11.194 3.754 -7.075 502 HD13 LEU 61 HD13 LEU 61 -9.885 3.641 -5.900 503 HD21 LEU 61 HD21 LEU 61 -10.308 7.295 -6.472 504 HD22 LEU 61 HD22 LEU 61 -10.298 6.046 -5.226 505 HD23 LEU 61 HD23 LEU 61 -11.614 6.112 -6.397 506 H ILE 62 H ILE 62 -7.241 6.987 -9.315 507 HA ILE 62 HA ILE 62 -9.073 6.520 -11.386 508 HB ILE 62 HB ILE 62 -6.656 8.341 -11.412 509 HG12 ILE 62 HG12 ILE 62 -9.551 8.937 -10.757 510 HG13 ILE 62 HG13 ILE 62 -8.268 8.755 -9.566 511 HG21 ILE 62 HG21 ILE 62 -9.114 8.336 -13.166 512 HG22 ILE 62 HG22 ILE 62 -7.473 7.930 -13.669 513 HG23 ILE 62 HG23 ILE 62 -7.859 9.576 -13.166 514 HD11 ILE 62 HD11 ILE 62 -7.124 10.693 -10.490 515 HD12 ILE 62 HD12 ILE 62 -8.772 11.092 -10.002 516 HD13 ILE 62 HD13 ILE 62 -8.387 10.864 -11.707 517 H TYR 63 H TYR 63 -5.538 6.166 -11.336 518 HA TYR 63 HA TYR 63 -5.152 5.223 -13.929 519 HB2 TYR 63 HB2 TYR 63 -3.349 5.891 -12.364 520 HB3 TYR 63 HB3 TYR 63 -3.650 4.438 -11.421 521 HD1 TYR 63 HD2 TYR 63 -2.336 5.731 -14.609 522 HD2 TYR 63 HD1 TYR 63 -2.808 2.300 -12.130 523 HE1 TYR 63 HE2 TYR 63 -0.707 4.516 -15.989 524 HE2 TYR 63 HE1 TYR 63 -1.172 1.080 -13.505 525 HH TYR 63 HH TYR 63 -0.289 1.224 -15.911 526 H MET 64 H MET 64 -6.029 3.519 -10.973 527 HA MET 64 HA MET 64 -5.873 0.886 -11.965 528 HB2 MET 64 HB2 MET 64 -6.046 1.621 -9.545 529 HB3 MET 64 HB3 MET 64 -7.759 1.890 -9.829 530 HG2 MET 64 HG2 MET 64 -7.956 -0.201 -9.064 531 HG3 MET 64 HG3 MET 64 -7.518 -0.640 -10.716 532 HE1 MET 64 HE1 MET 64 -4.445 -0.371 -7.291 533 HE2 MET 64 HE2 MET 64 -6.143 0.070 -7.118 534 HE3 MET 64 HE3 MET 64 -5.084 1.031 -8.150 535 H LYS 65 H LYS 65 -8.687 3.005 -11.488 536 HA LYS 65 HA LYS 65 -10.562 1.148 -12.487 537 HB2 LYS 65 HB2 LYS 65 -10.857 3.230 -10.964 538 HB3 LYS 65 HB3 LYS 65 -10.987 4.124 -12.469 539 HG2 LYS 65 HG2 LYS 65 -12.730 1.750 -11.953 540 HG3 LYS 65 HG3 LYS 65 -13.132 3.328 -11.276 541 HD2 LYS 65 HD2 LYS 65 -13.155 4.288 -13.522 542 HD3 LYS 65 HD3 LYS 65 -12.717 2.718 -14.206 543 HE2 LYS 65 HE2 LYS 65 -14.792 1.758 -13.395 544 HE3 LYS 65 HE3 LYS 65 -15.219 3.277 -12.611 545 HZ1 LYS 65 HZ1 LYS 65 -16.325 2.888 -14.780 546 HZ2 LYS 65 HZ2 LYS 65 -14.813 2.992 -15.539 547 HZ3 LYS 65 HZ3 LYS 65 -15.443 4.332 -14.713 548 H LYS 66 H LYS 66 -8.780 3.777 -13.970 549 HA LYS 66 HA LYS 66 -10.211 3.672 -16.459 550 HB2 LYS 66 HB2 LYS 66 -9.287 5.763 -15.723 551 HB3 LYS 66 HB3 LYS 66 -7.686 5.066 -15.573 552 HG2 LYS 66 HG2 LYS 66 -7.623 4.769 -18.019 553 HG3 LYS 66 HG3 LYS 66 -9.194 5.573 -18.127 554 HD2 LYS 66 HD2 LYS 66 -8.298 7.597 -17.226 555 HD3 LYS 66 HD3 LYS 66 -6.770 6.811 -16.832 556 HE2 LYS 66 HE2 LYS 66 -6.397 6.443 -19.258 557 HE3 LYS 66 HE3 LYS 66 -7.864 7.368 -19.586 558 HZ1 LYS 66 HZ1 LYS 66 -5.766 8.671 -19.742 559 HZ2 LYS 66 HZ2 LYS 66 -5.541 8.441 -18.075 560 HZ3 LYS 66 HZ3 LYS 66 -6.885 9.306 -18.635 561 H THR 67 H THR 67 -6.802 3.018 -15.621 562 HA THR 67 HA THR 67 -6.357 1.825 -18.201 563 HB THR 67 HB THR 67 -4.495 2.075 -15.836 564 HG1 THR 67 HG1 THR 67 -5.105 3.742 -18.059 565 HG21 THR 67 HG21 THR 67 -3.919 1.500 -18.750 566 HG22 THR 67 HG22 THR 67 -3.737 0.364 -17.413 567 HG23 THR 67 HG23 THR 67 -2.705 1.791 -17.504 568 H LEU 68 H LEU 68 -6.469 0.633 -14.845 569 HA LEU 68 HA LEU 68 -5.731 -2.031 -15.795 570 HB2 LEU 68 HB2 LEU 68 -6.106 -1.043 -12.969 571 HB3 LEU 68 HB3 LEU 68 -5.449 -2.596 -13.442 572 HG LEU 68 HG LEU 68 -4.170 0.075 -14.032 573 HD11 LEU 68 HD11 LEU 68 -3.443 -2.041 -12.008 574 HD12 LEU 68 HD12 LEU 68 -4.113 -0.448 -11.654 575 HD13 LEU 68 HD13 LEU 68 -2.507 -0.590 -12.369 576 HD21 LEU 68 HD21 LEU 68 -3.164 -2.738 -14.452 577 HD22 LEU 68 HD22 LEU 68 -2.247 -1.259 -14.732 578 HD23 LEU 68 HD23 LEU 68 -3.666 -1.616 -15.717 579 H CYS 69 H CYS 69 -8.522 -0.436 -15.628 580 HA CYS 69 HA CYS 69 -10.712 -1.051 -15.663 581 HB2 CYS 69 HB2 CYS 69 -9.774 -3.039 -16.922 582 HB3 CYS 69 HB3 CYS 69 -9.748 -3.911 -15.397 583 HG CYS 69 HG CYS 69 -12.080 -3.930 -17.533 584 H ASN 70 H ASN 70 -12.105 -3.014 -14.248 585 HA ASN 70 HA ASN 70 -12.910 -3.625 -12.209 586 HB2 ASN 70 HB2 ASN 70 -10.280 -2.633 -11.080 587 HB3 ASN 70 HB3 ASN 70 -11.490 -3.557 -10.200 588 HD21 ASN 70 HD21 ASN 70 -8.970 -3.644 -12.552 589 HD22 ASN 70 HD22 ASN 70 -8.846 -5.365 -12.663 590 H ALA 71 H ALA 71 -13.041 -2.483 -9.807 591 HA ALA 71 HA ALA 71 -13.636 0.360 -10.308 592 HB1 ALA 71 HB1 ALA 71 -15.630 0.162 -8.936 593 HB2 ALA 71 HB2 ALA 71 -15.297 -1.549 -8.667 594 HB3 ALA 71 HB3 ALA 71 -15.699 -0.972 -10.285 595 H ASP 72 H ASP 72 -14.352 1.187 -7.863 596 HA ASP 72 HA ASP 72 -11.933 1.672 -6.586 597 HB2 ASP 72 HB2 ASP 72 -13.832 3.146 -6.324 598 HB3 ASP 72 HB3 ASP 72 -14.751 1.889 -5.512 599 H SER 73 H SER 73 -14.355 -0.801 -5.881 600 HA SER 73 HA SER 73 -13.484 -1.639 -3.389 601 HB2 SER 73 HB2 SER 73 -14.516 -3.480 -5.552 602 HB3 SER 73 HB3 SER 73 -14.664 -3.683 -3.809 603 HG SER 73 HG SER 73 -15.883 -1.610 -3.907 604 H THR 74 H THR 74 -12.356 -2.665 -6.596 605 HA THR 74 HA THR 74 -10.495 -4.566 -5.517 606 HB THR 74 HB THR 74 -10.727 -3.494 -8.340 607 HG1 THR 74 HG1 THR 74 -12.430 -4.746 -8.417 608 HG21 THR 74 HG21 THR 74 -9.382 -5.994 -7.294 609 HG22 THR 74 HG22 THR 74 -8.550 -4.556 -7.882 610 HG23 THR 74 HG23 THR 74 -9.524 -5.524 -8.988 611 H ALA 75 H ALA 75 -10.401 -1.225 -6.494 612 HA ALA 75 HA ALA 75 -7.559 -1.023 -6.606 613 HB1 ALA 75 HB1 ALA 75 -9.643 1.113 -6.170 614 HB2 ALA 75 HB2 ALA 75 -8.997 0.590 -7.725 615 HB3 ALA 75 HB3 ALA 75 -7.946 1.395 -6.560 616 H GLN 76 H GLN 76 -9.989 -0.424 -4.106 617 HA GLN 76 HA GLN 76 -8.312 0.745 -2.207 618 HB2 GLN 76 HB2 GLN 76 -10.901 -0.773 -2.008 619 HB3 GLN 76 HB3 GLN 76 -10.126 -0.055 -0.612 620 HG2 GLN 76 HG2 GLN 76 -11.115 1.390 -3.051 621 HG3 GLN 76 HG3 GLN 76 -11.847 1.407 -1.452 622 HE21 GLN 76 HE21 GLN 76 -10.895 3.595 -3.111 623 HE22 GLN 76 HE22 GLN 76 -9.706 4.432 -2.160 624 H ARG 77 H ARG 77 -9.251 -2.652 -2.688 625 HA ARG 77 HA ARG 77 -7.934 -3.631 -0.394 626 HB2 ARG 77 HB2 ARG 77 -8.086 -5.870 -1.536 627 HB3 ARG 77 HB3 ARG 77 -9.608 -5.014 -1.361 628 HG2 ARG 77 HG2 ARG 77 -9.783 -5.778 -3.502 629 HG3 ARG 77 HG3 ARG 77 -9.082 -4.187 -3.783 630 HD2 ARG 77 HD2 ARG 77 -7.794 -5.545 -5.135 631 HD3 ARG 77 HD3 ARG 77 -6.816 -5.439 -3.672 632 HE ARG 77 HE ARG 77 -8.027 -7.658 -3.108 633 HH11 ARG 77 HH11 ARG 77 -7.006 -6.624 -6.288 634 HH12 ARG 77 HH12 ARG 77 -6.843 -8.234 -6.912 635 HH21 ARG 77 HH21 ARG 77 -7.821 -9.782 -3.911 636 HH22 ARG 77 HH22 ARG 77 -7.325 -10.039 -5.560 637 H ASN 78 H ASN 78 -6.775 -2.829 -3.579 638 HA ASN 78 HA ASN 78 -4.243 -4.113 -3.273 639 HB2 ASN 78 HB2 ASN 78 -5.241 -3.638 -5.482 640 HB3 ASN 78 HB3 ASN 78 -5.120 -1.913 -5.151 641 HD21 ASN 78 HD21 ASN 78 -3.842 -1.616 -6.938 642 HD22 ASN 78 HD22 ASN 78 -2.190 -2.081 -6.953 643 H LEU 79 H LEU 79 -5.433 -0.796 -3.093 644 HA LEU 79 HA LEU 79 -3.029 0.478 -2.465 645 HB2 LEU 79 HB2 LEU 79 -5.860 1.212 -1.717 646 HB3 LEU 79 HB3 LEU 79 -4.482 2.278 -1.540 647 HG LEU 79 HG LEU 79 -5.492 1.170 -4.162 648 HD11 LEU 79 HD11 LEU 79 -5.725 3.938 -2.999 649 HD12 LEU 79 HD12 LEU 79 -7.042 2.778 -3.179 650 HD13 LEU 79 HD13 LEU 79 -6.248 3.438 -4.608 651 HD21 LEU 79 HD21 LEU 79 -3.353 3.211 -3.573 652 HD22 LEU 79 HD22 LEU 79 -3.934 2.755 -5.176 653 HD23 LEU 79 HD23 LEU 79 -3.090 1.575 -4.174 654 H SER 80 H SER 80 -5.275 -1.258 -0.452 655 HA SER 80 HA SER 80 -4.550 -0.289 2.059 656 HB2 SER 80 HB2 SER 80 -5.550 -3.034 1.280 657 HB3 SER 80 HB3 SER 80 -5.475 -2.427 2.934 658 HG SER 80 HG SER 80 -6.989 -1.323 0.785 659 H THR 81 H THR 81 -2.874 -2.589 -0.005 660 HA THR 81 HA THR 81 -1.302 -3.760 2.047 661 HB THR 81 HB THR 81 0.214 -4.510 0.244 662 HG1 THR 81 HG1 THR 81 -1.548 -3.095 -1.508 663 HG21 THR 81 HG21 THR 81 -2.719 -4.865 -0.380 664 HG22 THR 81 HG22 THR 81 -1.789 -5.801 0.790 665 HG23 THR 81 HG23 THR 81 -1.409 -5.914 -0.928 666 H ILE 82 H ILE 82 -0.696 -1.075 -0.191 667 HA ILE 82 HA ILE 82 1.811 -0.348 0.952 668 HB ILE 82 HB ILE 82 -0.128 1.309 -0.683 669 HG12 ILE 82 HG12 ILE 82 2.411 -0.088 -1.558 670 HG13 ILE 82 HG13 ILE 82 0.800 -0.758 -1.778 671 HG21 ILE 82 HG21 ILE 82 1.399 2.719 0.599 672 HG22 ILE 82 HG22 ILE 82 1.771 2.788 -1.123 673 HG23 ILE 82 HG23 ILE 82 2.777 1.825 -0.043 674 HD11 ILE 82 HD11 ILE 82 0.209 1.189 -3.159 675 HD12 ILE 82 HD12 ILE 82 1.559 0.264 -3.820 676 HD13 ILE 82 HD13 ILE 82 1.858 1.786 -2.981 677 H LYS 83 H LYS 83 -1.538 0.551 1.476 678 HA LYS 83 HA LYS 83 -1.281 2.732 3.149 679 HB2 LYS 83 HB2 LYS 83 -3.456 2.161 2.425 680 HB3 LYS 83 HB3 LYS 83 -3.330 0.528 3.072 681 HG2 LYS 83 HG2 LYS 83 -3.292 1.480 5.356 682 HG3 LYS 83 HG3 LYS 83 -3.546 3.081 4.653 683 HD2 LYS 83 HD2 LYS 83 -5.671 2.456 3.808 684 HD3 LYS 83 HD3 LYS 83 -5.404 0.756 4.195 685 HE2 LYS 83 HE2 LYS 83 -5.345 1.352 6.591 686 HE3 LYS 83 HE3 LYS 83 -5.698 3.025 6.161 687 HZ1 LYS 83 HZ1 LYS 83 -7.457 0.695 5.605 688 HZ2 LYS 83 HZ2 LYS 83 -7.801 2.308 5.215 689 HZ3 LYS 83 HZ3 LYS 83 -7.686 1.835 6.841 690 H ILE 84 H ILE 84 -1.263 -0.716 4.073 691 HA ILE 84 HA ILE 84 -1.230 -0.350 6.836 692 HB ILE 84 HB ILE 84 0.056 -2.558 5.213 693 HG12 ILE 84 HG12 ILE 84 -2.349 -2.399 4.868 694 HG13 ILE 84 HG13 ILE 84 -1.979 -3.827 5.830 695 HG21 ILE 84 HG21 ILE 84 1.048 -2.468 7.430 696 HG22 ILE 84 HG22 ILE 84 0.014 -3.888 7.270 697 HG23 ILE 84 HG23 ILE 84 -0.556 -2.477 8.163 698 HD11 ILE 84 HD11 ILE 84 -3.943 -2.705 6.681 699 HD12 ILE 84 HD12 ILE 84 -3.035 -1.204 6.862 700 HD13 ILE 84 HD13 ILE 84 -2.631 -2.603 7.857 701 H TYR 85 H TYR 85 1.483 -0.388 4.543 702 HA TYR 85 HA TYR 85 3.471 -0.163 6.579 703 HB2 TYR 85 HB2 TYR 85 4.176 -1.027 4.448 704 HB3 TYR 85 HB3 TYR 85 3.575 0.400 3.608 705 HD1 TYR 85 HD1 TYR 85 6.089 -0.660 6.148 706 HD2 TYR 85 HD2 TYR 85 5.003 2.191 3.181 707 HE1 TYR 85 HE1 TYR 85 8.288 0.413 6.383 708 HE2 TYR 85 HE2 TYR 85 7.199 3.272 3.407 709 HH TYR 85 HH TYR 85 8.991 3.470 5.031 710 H VAL 86 H VAL 86 1.936 2.138 4.370 711 HA VAL 86 HA VAL 86 3.286 4.436 5.228 712 HB VAL 86 HB VAL 86 0.503 4.156 4.082 713 HG11 VAL 86 HG11 VAL 86 0.720 6.276 5.269 714 HG12 VAL 86 HG12 VAL 86 0.660 6.532 3.525 715 HG13 VAL 86 HG13 VAL 86 2.200 6.631 4.378 716 HG21 VAL 86 HG21 VAL 86 1.538 4.783 1.978 717 HG22 VAL 86 HG22 VAL 86 2.320 3.346 2.639 718 HG23 VAL 86 HG23 VAL 86 3.108 4.920 2.769 719 H SER 87 H SER 87 0.083 3.232 6.174 720 HA SER 87 HA SER 87 -0.526 5.144 8.077 721 HB2 SER 87 HB2 SER 87 -1.429 2.378 7.466 722 HB3 SER 87 HB3 SER 87 -1.877 3.031 9.037 723 HG SER 87 HG SER 87 -2.759 4.865 7.874 724 H ALA 88 H ALA 88 1.170 2.038 8.511 725 HA ALA 88 HA ALA 88 1.502 2.304 11.308 726 HB1 ALA 88 HB1 ALA 88 1.769 0.165 10.138 727 HB2 ALA 88 HB2 ALA 88 3.190 0.561 11.106 728 HB3 ALA 88 HB3 ALA 88 3.225 0.781 9.355 729 H ALA 89 H ALA 89 3.493 3.261 8.553 730 HA ALA 89 HA ALA 89 5.741 4.118 10.030 731 HB1 ALA 89 HB1 ALA 89 5.810 3.647 7.620 732 HB2 ALA 89 HB2 ALA 89 6.453 5.242 8.009 733 HB3 ALA 89 HB3 ALA 89 4.834 5.086 7.327 734 H ILE 90 H ILE 90 2.703 5.592 9.396 735 HA ILE 90 HA ILE 90 3.420 8.267 9.868 736 HB ILE 90 HB ILE 90 0.778 6.885 10.380 737 HG12 ILE 90 HG12 ILE 90 1.570 8.609 8.042 738 HG13 ILE 90 HG13 ILE 90 1.751 6.859 8.034 739 HG21 ILE 90 HG21 ILE 90 0.931 8.980 11.619 740 HG22 ILE 90 HG22 ILE 90 -0.213 9.121 10.285 741 HG23 ILE 90 HG23 ILE 90 1.397 9.829 10.143 742 HD11 ILE 90 HD11 ILE 90 -0.650 6.624 8.366 743 HD12 ILE 90 HD12 ILE 90 -0.268 7.536 6.905 744 HD13 ILE 90 HD13 ILE 90 -0.816 8.379 8.354 745 H LYS 91 H LYS 91 2.063 5.799 12.025 746 HA LYS 91 HA LYS 91 2.334 7.494 14.330 747 HB2 LYS 91 HB2 LYS 91 1.591 4.580 14.033 748 HB3 LYS 91 HB3 LYS 91 1.659 5.405 15.582 749 HG2 LYS 91 HG2 LYS 91 -0.596 5.448 15.014 750 HG3 LYS 91 HG3 LYS 91 -0.020 7.056 14.581 751 HD2 LYS 91 HD2 LYS 91 0.153 6.361 12.238 752 HD3 LYS 91 HD3 LYS 91 -0.416 4.747 12.670 753 HE2 LYS 91 HE2 LYS 91 -2.517 5.770 13.505 754 HE3 LYS 91 HE3 LYS 91 -1.948 7.333 12.931 755 HZ1 LYS 91 HZ1 LYS 91 -1.942 6.489 10.679 756 HZ2 LYS 91 HZ2 LYS 91 -3.470 6.269 11.365 757 HZ3 LYS 91 HZ3 LYS 91 -2.413 4.949 11.214 758 H LYS 92 H LYS 92 4.197 5.018 12.764 759 HA LYS 92 HA LYS 92 5.923 4.378 14.899 760 HB2 LYS 92 HB2 LYS 92 5.575 3.126 12.692 761 HB3 LYS 92 HB3 LYS 92 6.699 4.282 11.992 762 HG2 LYS 92 HG2 LYS 92 8.443 3.558 13.491 763 HG3 LYS 92 HG3 LYS 92 7.321 2.472 14.317 764 HD2 LYS 92 HD2 LYS 92 6.976 1.314 12.114 765 HD3 LYS 92 HD3 LYS 92 8.300 2.286 11.472 766 HE2 LYS 92 HE2 LYS 92 8.489 0.407 13.820 767 HE3 LYS 92 HE3 LYS 92 9.028 0.047 12.183 768 HZ1 LYS 92 HZ1 LYS 92 10.106 2.192 13.937 769 HZ2 LYS 92 HZ2 LYS 92 10.613 1.874 12.350 770 HZ3 LYS 92 HZ3 LYS 92 10.870 0.723 13.568 771 H GLY 93 H GLY 93 6.206 6.754 12.265 772 HA2 GLY 93 HA2 GLY 93 7.078 8.921 13.322 773 HA3 GLY 93 HA3 GLY 93 8.469 7.937 13.738 774 H TYR 94 H TYR 94 6.580 8.152 10.707 775 HA TYR 94 HA TYR 94 8.839 9.554 9.489 776 HB2 TYR 94 HB2 TYR 94 9.132 7.184 8.903 777 HB3 TYR 94 HB3 TYR 94 7.506 7.146 8.230 778 HD1 TYR 94 HD2 TYR 94 10.663 9.125 7.884 779 HD2 TYR 94 HD1 TYR 94 7.277 7.431 5.944 780 HE1 TYR 94 HE2 TYR 94 11.518 9.913 5.719 781 HE2 TYR 94 HE1 TYR 94 8.122 8.220 3.772 782 HH TYR 94 HH TYR 94 11.305 9.415 3.351 783 H MET 95 H MET 95 5.776 8.154 8.325 784 HA MET 95 HA MET 95 5.145 10.377 6.701 785 HB2 MET 95 HB2 MET 95 3.574 8.019 7.694 786 HB3 MET 95 HB3 MET 95 2.824 9.281 6.735 787 HG2 MET 95 HG2 MET 95 5.225 7.711 5.847 788 HG3 MET 95 HG3 MET 95 3.562 7.284 5.448 789 HE1 MET 95 HE1 MET 95 1.993 8.705 3.864 790 HE2 MET 95 HE2 MET 95 2.417 10.308 3.261 791 HE3 MET 95 HE3 MET 95 2.176 10.050 4.989 792 H GLU 96 H GLU 96 3.815 12.076 6.996 793 HA GLU 96 HA GLU 96 3.600 13.024 9.679 794 HB2 GLU 96 HB2 GLU 96 4.126 14.431 7.670 795 HB3 GLU 96 HB3 GLU 96 2.455 14.243 7.167 796 HG2 GLU 96 HG2 GLU 96 1.718 15.326 9.236 797 HG3 GLU 96 HG3 GLU 96 3.402 15.543 9.709 798 H ASN 97 H ASN 97 1.276 12.056 7.185 799 HA ASN 97 HA ASN 97 -0.786 11.715 9.211 800 HB2 ASN 97 HB2 ASN 97 -0.840 13.837 7.115 801 HB3 ASN 97 HB3 ASN 97 -2.349 13.016 7.496 802 HD21 ASN 97 HD21 ASN 97 -1.763 12.595 10.267 803 HD22 ASN 97 HD22 ASN 97 -1.850 14.143 11.048 804 H ASP 98 H ASP 98 -2.657 10.599 8.439 805 HA ASP 98 HA ASP 98 -2.048 8.518 6.612 806 HB2 ASP 98 HB2 ASP 98 -4.559 9.352 8.065 807 HB3 ASP 98 HB3 ASP 98 -4.532 7.995 6.957 808 HA PRO 99 HA PRO 99 -3.325 10.504 2.894 809 HB2 PRO 99 HB2 PRO 99 -3.594 8.346 1.290 810 HB3 PRO 99 HB3 PRO 99 -2.024 8.932 1.841 811 HG2 PRO 99 HG2 PRO 99 -3.660 6.648 2.869 812 HG3 PRO 99 HG3 PRO 99 -1.909 6.747 2.610 813 HD2 PRO 99 HD2 PRO 99 -3.099 7.041 5.058 814 HD3 PRO 99 HD3 PRO 99 -1.547 7.781 4.622 815 H PHE 100 H PHE 100 -5.293 7.802 4.070 816 HA PHE 100 HA PHE 100 -7.535 8.454 2.413 817 HB2 PHE 100 HB2 PHE 100 -8.738 6.754 3.743 818 HB3 PHE 100 HB3 PHE 100 -7.201 6.171 3.128 819 HD1 PHE 100 HD1 PHE 100 -5.329 5.752 4.628 820 HD2 PHE 100 HD2 PHE 100 -9.117 7.012 6.097 821 HE1 PHE 100 HE1 PHE 100 -4.680 5.050 6.894 822 HE2 PHE 100 HE2 PHE 100 -8.476 6.314 8.366 823 HZ PHE 100 HZ PHE 100 -6.256 5.330 8.768 824 H LYS 101 H LYS 101 -6.314 9.596 5.335 825 HA LYS 101 HA LYS 101 -8.714 10.497 6.548 826 HB2 LYS 101 HB2 LYS 101 -6.692 10.070 7.827 827 HB3 LYS 101 HB3 LYS 101 -5.808 11.262 6.895 828 HG2 LYS 101 HG2 LYS 101 -8.191 12.093 8.486 829 HG3 LYS 101 HG3 LYS 101 -6.640 11.824 9.283 830 HD2 LYS 101 HD2 LYS 101 -7.171 13.723 7.000 831 HD3 LYS 101 HD3 LYS 101 -6.924 14.161 8.682 832 HE2 LYS 101 HE2 LYS 101 -4.650 13.232 8.584 833 HE3 LYS 101 HE3 LYS 101 -4.907 12.827 6.885 834 HZ1 LYS 101 HZ1 LYS 101 -4.747 15.526 8.105 835 HZ2 LYS 101 HZ2 LYS 101 -5.344 15.268 6.542 836 HZ3 LYS 101 HZ3 LYS 101 -3.744 14.856 6.910 837 H ASP 102 H ASP 102 -6.699 11.651 4.008 838 HA ASP 102 HA ASP 102 -7.596 14.421 4.296 839 HB2 ASP 102 HB2 ASP 102 -5.187 13.847 3.934 840 HB3 ASP 102 HB3 ASP 102 -5.610 13.251 2.339 841 H PHE 103 H PHE 103 -8.969 11.849 3.042 842 HA PHE 103 HA PHE 103 -9.428 12.578 0.333 843 HB2 PHE 103 HB2 PHE 103 -10.362 10.433 2.121 844 HB3 PHE 103 HB3 PHE 103 -11.469 10.870 0.823 845 HD1 PHE 103 HD1 PHE 103 -10.819 10.597 -1.507 846 HD2 PHE 103 HD2 PHE 103 -8.266 9.354 1.659 847 HE1 PHE 103 HE1 PHE 103 -9.508 9.254 -3.097 848 HE2 PHE 103 HE2 PHE 103 -6.949 8.009 0.075 849 HZ PHE 103 HZ PHE 103 -7.570 7.956 -2.306 850 H GLY 104 H GLY 104 -10.028 14.813 0.812 851 HA2 GLY 104 HA2 GLY 104 -11.656 16.250 0.042 852 HA3 GLY 104 HA3 GLY 104 -12.823 14.946 0.166 853 H LEU 105 H LEU 105 -13.786 14.522 2.144 854 HA LEU 105 HA LEU 105 -15.162 15.224 3.810 855 HB2 LEU 105 HB2 LEU 105 -13.070 15.298 5.102 856 HB3 LEU 105 HB3 LEU 105 -12.809 16.952 4.581 857 HG LEU 105 HG LEU 105 -14.893 17.615 5.762 858 HD11 LEU 105 HD11 LEU 105 -16.044 15.475 5.740 859 HD12 LEU 105 HD12 LEU 105 -15.864 16.070 7.390 860 HD13 LEU 105 HD13 LEU 105 -14.811 14.785 6.798 861 HD21 LEU 105 HD21 LEU 105 -13.947 17.487 8.008 862 HD22 LEU 105 HD22 LEU 105 -12.706 17.872 6.816 863 HD23 LEU 105 HD23 LEU 105 -12.823 16.239 7.469 864 H GLU 106 H GLU 106 -16.787 16.235 2.702 865 HA GLU 106 HA GLU 106 -16.354 19.070 2.039 866 HB2 GLU 106 HB2 GLU 106 -18.039 18.760 0.240 867 HB3 GLU 106 HB3 GLU 106 -16.581 17.806 0.017 868 HG2 GLU 106 HG2 GLU 106 -17.685 15.811 0.641 869 HG3 GLU 106 HG3 GLU 106 -19.096 16.696 1.222 870 H HIS 107 H HIS 107 -17.465 20.469 3.133 871 HA HIS 107 HA HIS 107 -20.281 20.352 3.422 872 HB2 HIS 107 HB2 HIS 107 -18.679 19.414 5.689 873 HB3 HIS 107 HB3 HIS 107 -19.729 20.763 6.112 874 HD1 HIS 107 HD1 HIS 107 -19.766 17.241 6.163 875 HD2 HIS 107 HD2 HIS 107 -22.522 20.125 4.984 876 HE1 HIS 107 HE1 HIS 107 -22.004 16.102 6.209 877 HE2 HIS 107 HE2 HIS 107 -23.628 17.808 5.323 878 H HIS 108 H HIS 108 -20.771 22.413 2.955 879 HA HIS 108 HA HIS 108 -18.929 24.496 3.935 880 HB2 HIS 108 HB2 HIS 108 -20.358 24.243 1.310 881 HB3 HIS 108 HB3 HIS 108 -19.881 25.825 1.915 882 HD1 HIS 108 HD1 HIS 108 -18.642 24.941 -0.662 883 HD2 HIS 108 HD2 HIS 108 -16.983 24.068 3.051 884 HE1 HIS 108 HE1 HIS 108 -16.199 24.524 -1.090 885 HE2 HIS 108 HE2 HIS 108 -15.186 24.262 1.203 886 H HIS 109 H HIS 109 -19.675 26.145 5.011 887 HA HIS 109 HA HIS 109 -22.455 26.975 4.765 888 HB2 HIS 109 HB2 HIS 109 -22.634 25.522 6.677 889 HB3 HIS 109 HB3 HIS 109 -21.170 26.187 7.393 890 HD1 HIS 109 HD1 HIS 109 -24.661 27.406 6.436 891 HD2 HIS 109 HD2 HIS 109 -21.661 28.101 9.237 892 HE1 HIS 109 HE1 HIS 109 -25.606 29.095 8.044 893 HE2 HIS 109 HE2 HIS 109 -23.827 29.397 9.798 894 H HIS 110 H HIS 110 -22.019 28.950 3.952 895 HA HIS 110 HA HIS 110 -20.440 30.759 5.588 896 HB2 HIS 110 HB2 HIS 110 -18.719 29.846 4.171 897 HB3 HIS 110 HB3 HIS 110 -19.702 30.093 2.734 898 HD1 HIS 110 HD1 HIS 110 -18.713 32.551 5.486 899 HD2 HIS 110 HD2 HIS 110 -18.474 32.062 1.363 900 HE1 HIS 110 HE1 HIS 110 -17.657 34.658 4.611 901 HE2 HIS 110 HE2 HIS 110 -17.744 34.431 2.100 902 H HIS 111 H HIS 111 -21.306 31.129 2.167 903 HA HIS 111 HA HIS 111 -22.248 32.887 1.094 904 HB2 HIS 111 HB2 HIS 111 -24.338 31.969 2.059 905 HB3 HIS 111 HB3 HIS 111 -24.113 32.983 3.481 906 HD1 HIS 111 HD1 HIS 111 -25.302 35.148 3.414 907 HD2 HIS 111 HD2 HIS 111 -24.582 33.657 -0.403 908 HE1 HIS 111 HE1 HIS 111 -26.406 36.764 1.831 909 HE2 HIS 111 HE2 HIS 111 -25.881 35.896 -0.479 910 H HIS 112 H HIS 112 -22.874 34.098 4.364 911 HA HIS 112 HA HIS 112 -20.600 35.910 4.216 912 HB2 HIS 112 HB2 HIS 112 -23.462 36.780 4.280 913 HB3 HIS 112 HB3 HIS 112 -22.303 37.680 5.245 914 HD1 HIS 112 HD1 HIS 112 -23.609 39.250 3.125 915 HD2 HIS 112 HD2 HIS 112 -20.179 37.015 2.393 916 HE1 HIS 112 HE1 HIS 112 -22.573 40.251 1.066 917 HE2 HIS 112 HE2 HIS 112 -20.435 38.966 0.712 Start of MODEL 6 1 H1 MET 1 H1 MET 1 15.201 0.161 16.060 2 H2 MET 1 H2 MET 1 16.326 0.830 17.135 3 H3 MET 1 H3 MET 1 15.502 -0.589 17.551 4 HA MET 1 HA MET 1 17.484 -0.273 15.372 5 HB2 MET 1 HB2 MET 1 18.952 -1.609 16.683 6 HB3 MET 1 HB3 MET 1 18.325 -0.374 17.762 7 HG2 MET 1 HG2 MET 1 17.354 -3.220 17.604 8 HG3 MET 1 HG3 MET 1 18.440 -2.568 18.829 9 HE1 MET 1 HE1 MET 1 15.706 -4.162 19.424 10 HE2 MET 1 HE2 MET 1 15.070 -3.204 20.762 11 HE3 MET 1 HE3 MET 1 16.791 -3.578 20.687 12 H ASN 2 H ASN 2 14.582 -1.383 15.575 13 HA ASN 2 HA ASN 2 15.060 -4.226 15.125 14 HB2 ASN 2 HB2 ASN 2 12.485 -2.649 15.314 15 HB3 ASN 2 HB3 ASN 2 12.575 -4.390 15.078 16 HD21 ASN 2 HD21 ASN 2 13.275 -5.698 16.777 17 HD22 ASN 2 HD22 ASN 2 13.271 -5.135 18.409 18 H ASN 3 H ASN 3 15.224 -1.557 13.280 19 HA ASN 3 HA ASN 3 13.838 -2.703 10.956 20 HB2 ASN 3 HB2 ASN 3 13.407 -0.333 11.732 21 HB3 ASN 3 HB3 ASN 3 15.073 0.046 11.332 22 HD21 ASN 3 HD21 ASN 3 12.541 1.121 10.359 23 HD22 ASN 3 HD22 ASN 3 12.591 0.955 8.640 24 HA PRO 4 HA PRO 4 17.858 -3.876 9.268 25 HB2 PRO 4 HB2 PRO 4 16.464 -3.913 6.675 26 HB3 PRO 4 HB3 PRO 4 17.278 -5.228 7.527 27 HG2 PRO 4 HG2 PRO 4 14.605 -5.134 7.309 28 HG3 PRO 4 HG3 PRO 4 15.403 -5.769 8.761 29 HD2 PRO 4 HD2 PRO 4 14.136 -3.089 8.311 30 HD3 PRO 4 HD3 PRO 4 14.062 -4.144 9.738 31 H SER 5 H SER 5 15.785 -1.398 7.961 32 HA SER 5 HA SER 5 16.168 0.680 7.163 33 HB2 SER 5 HB2 SER 5 18.982 0.316 8.208 34 HB3 SER 5 HB3 SER 5 18.138 1.841 7.923 35 HG SER 5 HG SER 5 17.216 -0.140 9.730 36 H ASP 6 H ASP 6 16.985 -1.802 5.512 37 HA ASP 6 HA ASP 6 18.935 -0.511 3.750 38 HB2 ASP 6 HB2 ASP 6 19.218 -2.915 4.662 39 HB3 ASP 6 HB3 ASP 6 18.030 -3.353 3.439 40 H PHE 7 H PHE 7 15.762 -0.571 4.009 41 HA PHE 7 HA PHE 7 15.307 -0.801 1.140 42 HB2 PHE 7 HB2 PHE 7 12.818 -0.328 2.087 43 HB3 PHE 7 HB3 PHE 7 13.500 -1.913 1.793 44 HD1 PHE 7 HD1 PHE 7 12.709 0.584 4.382 45 HD2 PHE 7 HD2 PHE 7 13.953 -3.403 3.556 46 HE1 PHE 7 HE1 PHE 7 12.278 -0.038 6.720 47 HE2 PHE 7 HE2 PHE 7 13.527 -4.024 5.895 48 HZ PHE 7 HZ PHE 7 12.685 -2.344 7.476 49 H LYS 8 H LYS 8 14.748 0.738 -0.105 50 HA LYS 8 HA LYS 8 15.084 3.456 0.871 51 HB2 LYS 8 HB2 LYS 8 15.373 3.954 -1.544 52 HB3 LYS 8 HB3 LYS 8 16.484 2.721 -0.971 53 HG2 LYS 8 HG2 LYS 8 14.724 1.047 -1.820 54 HG3 LYS 8 HG3 LYS 8 14.081 2.420 -2.719 55 HD2 LYS 8 HD2 LYS 8 16.184 2.704 -3.867 56 HD3 LYS 8 HD3 LYS 8 16.925 1.429 -2.897 57 HE2 LYS 8 HE2 LYS 8 14.660 1.114 -4.865 58 HE3 LYS 8 HE3 LYS 8 16.322 0.568 -5.081 59 HZ1 LYS 8 HZ1 LYS 8 14.905 -1.261 -4.428 60 HZ2 LYS 8 HZ2 LYS 8 14.409 -0.439 -3.033 61 HZ3 LYS 8 HZ3 LYS 8 16.020 -0.939 -3.194 62 H SER 9 H SER 9 12.681 1.371 -0.644 63 HA SER 9 HA SER 9 10.889 3.704 -0.884 64 HB2 SER 9 HB2 SER 9 11.218 1.461 -2.883 65 HB3 SER 9 HB3 SER 9 10.038 2.767 -2.997 66 HG SER 9 HG SER 9 12.864 2.990 -3.050 67 H PHE 10 H PHE 10 8.581 3.047 -1.259 68 HA PHE 10 HA PHE 10 7.623 1.659 0.927 69 HB2 PHE 10 HB2 PHE 10 5.416 1.797 -0.130 70 HB3 PHE 10 HB3 PHE 10 6.286 3.316 -0.267 71 HD1 PHE 10 HD1 PHE 10 7.433 3.821 -2.490 72 HD2 PHE 10 HD2 PHE 10 4.535 0.747 -1.996 73 HE1 PHE 10 HE1 PHE 10 7.021 3.826 -4.914 74 HE2 PHE 10 HE2 PHE 10 4.120 0.742 -4.419 75 HZ PHE 10 HZ PHE 10 5.363 2.283 -5.884 76 H HIS 11 H HIS 11 8.058 0.476 -2.406 77 HA HIS 11 HA HIS 11 6.737 -1.979 -1.951 78 HB2 HIS 11 HB2 HIS 11 7.826 -2.783 -4.034 79 HB3 HIS 11 HB3 HIS 11 6.995 -1.249 -4.222 80 HD1 HIS 11 HD1 HIS 11 10.513 -2.667 -4.023 81 HD2 HIS 11 HD2 HIS 11 8.526 0.800 -5.173 82 HE1 HIS 11 HE1 HIS 11 12.225 -1.269 -5.214 83 HE2 HIS 11 HE2 HIS 11 10.950 0.726 -6.077 84 H ASP 12 H ASP 12 9.952 -0.918 -1.254 85 HA ASP 12 HA ASP 12 10.968 -3.563 -0.750 86 HB2 ASP 12 HB2 ASP 12 12.124 -0.919 0.152 87 HB3 ASP 12 HB3 ASP 12 12.963 -2.452 0.015 88 H PHE 13 H PHE 13 9.901 -0.779 1.147 89 HA PHE 13 HA PHE 13 10.365 -1.827 3.702 90 HB2 PHE 13 HB2 PHE 13 9.905 0.551 3.284 91 HB3 PHE 13 HB3 PHE 13 8.257 0.161 2.810 92 HD1 PHE 13 HD2 PHE 13 6.598 -0.476 4.485 93 HD2 PHE 13 HD1 PHE 13 10.569 0.580 5.594 94 HE1 PHE 13 HE2 PHE 13 5.866 -0.202 6.818 95 HE2 PHE 13 HE1 PHE 13 9.844 0.857 7.929 96 HZ PHE 13 HZ PHE 13 7.490 0.465 8.544 97 H VAL 14 H VAL 14 7.364 -1.783 1.776 98 HA VAL 14 HA VAL 14 5.779 -3.108 3.675 99 HB VAL 14 HB VAL 14 5.431 -3.027 0.669 100 HG11 VAL 14 HG11 VAL 14 3.088 -3.557 1.094 101 HG12 VAL 14 HG12 VAL 14 3.425 -3.698 2.820 102 HG13 VAL 14 HG13 VAL 14 4.141 -4.844 1.686 103 HG21 VAL 14 HG21 VAL 14 4.275 -1.298 2.853 104 HG22 VAL 14 HG22 VAL 14 3.838 -1.218 1.146 105 HG23 VAL 14 HG23 VAL 14 5.476 -0.810 1.656 106 H ALA 15 H ALA 15 7.930 -4.338 1.168 107 HA ALA 15 HA ALA 15 7.071 -7.016 1.192 108 HB1 ALA 15 HB1 ALA 15 8.576 -6.109 -0.512 109 HB2 ALA 15 HB2 ALA 15 9.252 -7.551 0.245 110 HB3 ALA 15 HB3 ALA 15 9.851 -5.955 0.696 111 H SER 16 H SER 16 9.403 -5.287 3.211 112 HA SER 16 HA SER 16 10.146 -7.658 4.667 113 HB2 SER 16 HB2 SER 16 11.678 -5.691 4.289 114 HB3 SER 16 HB3 SER 16 10.682 -4.773 5.412 115 HG SER 16 HG SER 16 11.163 -6.499 6.962 116 H TYR 17 H TYR 17 8.002 -4.898 5.163 117 HA TYR 17 HA TYR 17 7.483 -5.483 7.905 118 HB2 TYR 17 HB2 TYR 17 7.228 -3.231 6.724 119 HB3 TYR 17 HB3 TYR 17 5.704 -3.851 6.099 120 HD1 TYR 17 HD1 TYR 17 7.471 -3.671 9.391 121 HD2 TYR 17 HD2 TYR 17 3.814 -3.205 7.268 122 HE1 TYR 17 HE1 TYR 17 6.363 -2.959 11.465 123 HE2 TYR 17 HE2 TYR 17 2.695 -2.494 9.340 124 HH TYR 17 HH TYR 17 4.390 -1.639 12.141 125 H MET 18 H MET 18 5.826 -6.212 4.870 126 HA MET 18 HA MET 18 3.526 -7.436 5.911 127 HB2 MET 18 HB2 MET 18 3.942 -6.871 3.496 128 HB3 MET 18 HB3 MET 18 5.048 -8.229 3.415 129 HG2 MET 18 HG2 MET 18 3.037 -8.973 2.471 130 HG3 MET 18 HG3 MET 18 3.114 -9.700 4.074 131 HE1 MET 18 HE1 MET 18 0.531 -5.965 3.202 132 HE2 MET 18 HE2 MET 18 1.598 -6.685 1.998 133 HE3 MET 18 HE3 MET 18 2.280 -5.919 3.434 134 H LYS 19 H LYS 19 6.770 -8.647 5.316 135 HA LYS 19 HA LYS 19 6.164 -11.358 5.966 136 HB2 LYS 19 HB2 LYS 19 8.136 -10.316 4.573 137 HB3 LYS 19 HB3 LYS 19 8.930 -10.215 6.137 138 HG2 LYS 19 HG2 LYS 19 7.742 -12.797 5.209 139 HG3 LYS 19 HG3 LYS 19 9.325 -12.278 4.631 140 HD2 LYS 19 HD2 LYS 19 10.228 -12.289 6.822 141 HD3 LYS 19 HD3 LYS 19 8.630 -12.450 7.554 142 HE2 LYS 19 HE2 LYS 19 9.879 -14.562 7.583 143 HE3 LYS 19 HE3 LYS 19 8.401 -14.680 6.631 144 HZ1 LYS 19 HZ1 LYS 19 10.205 -15.747 5.487 145 HZ2 LYS 19 HZ2 LYS 19 11.159 -14.347 5.567 146 HZ3 LYS 19 HZ3 LYS 19 9.753 -14.363 4.620 147 H THR 20 H THR 20 6.890 -8.520 7.773 148 HA THR 20 HA THR 20 7.983 -9.672 10.099 149 HB THR 20 HB THR 20 6.331 -7.146 9.867 150 HG1 THR 20 HG1 THR 20 8.480 -7.525 8.639 151 HG21 THR 20 HG21 THR 20 7.517 -6.450 11.907 152 HG22 THR 20 HG22 THR 20 8.289 -8.034 11.991 153 HG23 THR 20 HG23 THR 20 6.541 -7.895 12.182 154 H TYR 21 H TYR 21 4.600 -8.622 9.463 155 HA TYR 21 HA TYR 21 3.759 -10.147 11.771 156 HB2 TYR 21 HB2 TYR 21 1.471 -9.256 11.144 157 HB3 TYR 21 HB3 TYR 21 2.663 -8.082 11.660 158 HD1 TYR 21 HD2 TYR 21 1.031 -9.516 8.645 159 HD2 TYR 21 HD1 TYR 21 3.180 -6.251 10.313 160 HE1 TYR 21 HE2 TYR 21 0.589 -8.196 6.621 161 HE2 TYR 21 HE1 TYR 21 2.737 -4.920 8.297 162 HH TYR 21 HH TYR 21 0.456 -5.803 5.987 163 H SER 22 H SER 22 4.318 -10.827 8.581 164 HA SER 22 HA SER 22 2.334 -12.621 7.846 165 HB2 SER 22 HB2 SER 22 4.152 -12.014 6.334 166 HB3 SER 22 HB3 SER 22 5.323 -12.820 7.376 167 HG SER 22 HG SER 22 3.301 -14.490 6.693 168 H ARG 23 H ARG 23 4.607 -12.837 10.397 169 HA ARG 23 HA ARG 23 4.883 -15.532 10.888 170 HB2 ARG 23 HB2 ARG 23 5.061 -14.885 13.281 171 HB3 ARG 23 HB3 ARG 23 6.010 -13.864 12.214 172 HG2 ARG 23 HG2 ARG 23 4.219 -12.166 12.293 173 HG3 ARG 23 HG3 ARG 23 3.358 -13.179 13.454 174 HD2 ARG 23 HD2 ARG 23 6.141 -12.093 13.850 175 HD3 ARG 23 HD3 ARG 23 4.677 -11.355 14.495 176 HE ARG 23 HE ARG 23 4.723 -14.023 15.323 177 HH11 ARG 23 HH11 ARG 23 6.529 -11.059 15.833 178 HH12 ARG 23 HH12 ARG 23 7.056 -11.509 17.424 179 HH21 ARG 23 HH21 ARG 23 5.409 -14.597 17.422 180 HH22 ARG 23 HH22 ARG 23 6.423 -13.510 18.330 181 H ARG 24 H ARG 24 2.105 -13.456 11.466 182 HA ARG 24 HA ARG 24 0.618 -15.810 12.422 183 HB2 ARG 24 HB2 ARG 24 0.209 -12.881 12.992 184 HB3 ARG 24 HB3 ARG 24 -1.001 -14.104 13.361 185 HG2 ARG 24 HG2 ARG 24 0.705 -15.260 14.768 186 HG3 ARG 24 HG3 ARG 24 1.775 -13.879 14.509 187 HD2 ARG 24 HD2 ARG 24 0.170 -12.398 15.548 188 HD3 ARG 24 HD3 ARG 24 -0.990 -13.718 15.702 189 HE ARG 24 HE ARG 24 1.540 -13.489 17.208 190 HH11 ARG 24 HH11 ARG 24 -1.665 -14.841 16.791 191 HH12 ARG 24 HH12 ARG 24 -1.722 -15.535 18.383 192 HH21 ARG 24 HH21 ARG 24 1.485 -14.417 19.283 193 HH22 ARG 24 HH22 ARG 24 0.075 -15.298 19.802 194 H LEU 25 H LEU 25 1.139 -14.330 9.662 195 HA LEU 25 HA LEU 25 -1.611 -14.067 8.770 196 HB2 LEU 25 HB2 LEU 25 1.021 -13.345 7.705 197 HB3 LEU 25 HB3 LEU 25 -0.052 -14.026 6.503 198 HG LEU 25 HG LEU 25 -1.700 -12.306 6.921 199 HD11 LEU 25 HD11 LEU 25 -1.340 -12.009 9.312 200 HD12 LEU 25 HD12 LEU 25 -1.285 -10.468 8.458 201 HD13 LEU 25 HD13 LEU 25 0.211 -11.235 8.990 202 HD21 LEU 25 HD21 LEU 25 -0.461 -10.375 6.110 203 HD22 LEU 25 HD22 LEU 25 0.081 -11.850 5.309 204 HD23 LEU 25 HD23 LEU 25 1.058 -11.133 6.590 205 H GLU 26 H GLU 26 -2.737 -15.750 8.151 206 HA GLU 26 HA GLU 26 -1.623 -18.304 7.699 207 HB2 GLU 26 HB2 GLU 26 -4.337 -17.158 7.055 208 HB3 GLU 26 HB3 GLU 26 -3.914 -18.847 6.867 209 HG2 GLU 26 HG2 GLU 26 -3.505 -19.043 9.246 210 HG3 GLU 26 HG3 GLU 26 -3.850 -17.326 9.452 211 H ILE 27 H ILE 27 -2.070 -19.519 5.658 212 HA ILE 27 HA ILE 27 -0.483 -18.395 3.639 213 HB ILE 27 HB ILE 27 -2.351 -20.764 3.409 214 HG12 ILE 27 HG12 ILE 27 0.568 -20.669 4.205 215 HG13 ILE 27 HG13 ILE 27 -0.775 -20.948 5.308 216 HG21 ILE 27 HG21 ILE 27 -1.577 -19.962 1.245 217 HG22 ILE 27 HG22 ILE 27 -0.831 -21.512 1.639 218 HG23 ILE 27 HG23 ILE 27 0.094 -20.020 1.807 219 HD11 ILE 27 HD11 ILE 27 0.016 -22.725 3.013 220 HD12 ILE 27 HD12 ILE 27 -1.324 -23.007 4.124 221 HD13 ILE 27 HD13 ILE 27 0.336 -23.026 4.721 222 H GLY 28 H GLY 28 -3.965 -18.579 4.046 223 HA2 GLY 28 HA2 GLY 28 -4.837 -18.090 1.460 224 HA3 GLY 28 HA3 GLY 28 -5.699 -17.611 2.912 225 H THR 29 H THR 29 -4.479 -15.582 3.999 226 HA THR 29 HA THR 29 -4.975 -13.483 2.163 227 HB THR 29 HB THR 29 -5.386 -13.223 4.575 228 HG1 THR 29 HG1 THR 29 -5.118 -11.159 4.256 229 HG21 THR 29 HG21 THR 29 -3.551 -12.813 6.130 230 HG22 THR 29 HG22 THR 29 -2.381 -13.140 4.851 231 HG23 THR 29 HG23 THR 29 -3.432 -14.431 5.434 232 H PHE 30 H PHE 30 -2.003 -14.987 3.318 233 HA PHE 30 HA PHE 30 -0.229 -12.988 2.458 234 HB2 PHE 30 HB2 PHE 30 0.263 -14.899 4.053 235 HB3 PHE 30 HB3 PHE 30 0.417 -15.927 2.634 236 HD1 PHE 30 HD1 PHE 30 1.689 -12.655 3.896 237 HD2 PHE 30 HD2 PHE 30 2.515 -16.251 1.777 238 HE1 PHE 30 HE1 PHE 30 4.039 -11.966 3.657 239 HE2 PHE 30 HE2 PHE 30 4.868 -15.570 1.533 240 HZ PHE 30 HZ PHE 30 5.633 -13.426 2.473 241 H ARG 31 H ARG 31 -1.368 -15.936 0.832 242 HA ARG 31 HA ARG 31 0.303 -15.549 -1.458 243 HB2 ARG 31 HB2 ARG 31 -0.872 -17.445 -2.417 244 HB3 ARG 31 HB3 ARG 31 -0.460 -17.782 -0.742 245 HG2 ARG 31 HG2 ARG 31 -2.785 -17.164 -0.111 246 HG3 ARG 31 HG3 ARG 31 -3.157 -17.015 -1.829 247 HD2 ARG 31 HD2 ARG 31 -2.089 -19.512 -0.531 248 HD3 ARG 31 HD3 ARG 31 -3.797 -19.198 -0.820 249 HE ARG 31 HE ARG 31 -2.337 -18.908 -3.226 250 HH11 ARG 31 HH11 ARG 31 -3.442 -21.374 -0.999 251 HH12 ARG 31 HH12 ARG 31 -3.598 -22.595 -2.218 252 HH21 ARG 31 HH21 ARG 31 -2.568 -20.500 -4.840 253 HH22 ARG 31 HH22 ARG 31 -3.098 -22.100 -4.408 254 H HIS 32 H HIS 32 -2.719 -14.291 -0.490 255 HA HIS 32 HA HIS 32 -3.935 -14.021 -3.038 256 HB2 HIS 32 HB2 HIS 32 -4.538 -13.231 -0.299 257 HB3 HIS 32 HB3 HIS 32 -5.046 -12.026 -1.478 258 HD1 HIS 32 HD1 HIS 32 -7.090 -12.513 -2.838 259 HD2 HIS 32 HD2 HIS 32 -5.778 -15.817 -0.678 260 HE1 HIS 32 HE1 HIS 32 -8.910 -14.236 -3.058 261 HE2 HIS 32 HE2 HIS 32 -8.176 -16.152 -1.591 262 H HIS 33 H HIS 33 -2.382 -11.552 -0.961 263 HA HIS 33 HA HIS 33 -2.420 -9.753 -3.277 264 HB2 HIS 33 HB2 HIS 33 -2.028 -7.933 -1.638 265 HB3 HIS 33 HB3 HIS 33 -3.500 -8.840 -1.326 266 HD1 HIS 33 HD1 HIS 33 -3.780 -9.820 0.953 267 HD2 HIS 33 HD2 HIS 33 0.115 -8.536 0.233 268 HE1 HIS 33 HE1 HIS 33 -2.588 -9.985 3.164 269 HE2 HIS 33 HE2 HIS 33 -0.281 -9.057 2.740 270 H LYS 34 H LYS 34 -0.399 -11.917 -2.761 271 HA LYS 34 HA LYS 34 2.047 -10.661 -2.068 272 HB2 LYS 34 HB2 LYS 34 1.596 -13.047 -1.774 273 HB3 LYS 34 HB3 LYS 34 1.444 -13.238 -3.514 274 HG2 LYS 34 HG2 LYS 34 3.812 -12.501 -3.726 275 HG3 LYS 34 HG3 LYS 34 3.920 -12.555 -1.961 276 HD2 LYS 34 HD2 LYS 34 3.143 -14.860 -3.733 277 HD3 LYS 34 HD3 LYS 34 4.725 -14.604 -3.022 278 HE2 LYS 34 HE2 LYS 34 3.779 -14.770 -0.786 279 HE3 LYS 34 HE3 LYS 34 2.169 -14.965 -1.476 280 HZ1 LYS 34 HZ1 LYS 34 2.927 -17.027 -2.524 281 HZ2 LYS 34 HZ2 LYS 34 3.076 -17.094 -0.837 282 HZ3 LYS 34 HZ3 LYS 34 4.451 -16.845 -1.796 283 H SER 35 H SER 35 0.570 -11.657 -5.143 284 HA SER 35 HA SER 35 2.829 -10.932 -6.722 285 HB2 SER 35 HB2 SER 35 -0.009 -11.356 -7.673 286 HB3 SER 35 HB3 SER 35 1.478 -11.560 -8.604 287 HG SER 35 HG SER 35 0.483 -13.142 -6.475 288 H CYS 36 H CYS 36 0.146 -9.160 -5.491 289 HA CYS 36 HA CYS 36 -0.316 -7.285 -7.488 290 HB2 CYS 36 HB2 CYS 36 -0.457 -6.838 -4.499 291 HB3 CYS 36 HB3 CYS 36 -1.258 -5.871 -5.730 292 HG CYS 36 HG CYS 36 -3.068 -7.564 -4.318 293 H MET 37 H MET 37 1.701 -6.800 -4.591 294 HA MET 37 HA MET 37 2.821 -4.384 -5.602 295 HB2 MET 37 HB2 MET 37 2.595 -4.857 -3.185 296 HB3 MET 37 HB3 MET 37 3.790 -6.135 -3.336 297 HG2 MET 37 HG2 MET 37 5.468 -4.485 -4.007 298 HG3 MET 37 HG3 MET 37 4.267 -3.207 -3.839 299 HE1 MET 37 HE1 MET 37 4.698 -6.367 -1.561 300 HE2 MET 37 HE2 MET 37 5.762 -5.755 -0.295 301 HE3 MET 37 HE3 MET 37 6.369 -5.947 -1.938 302 H ARG 38 H ARG 38 3.643 -7.736 -5.870 303 HA ARG 38 HA ARG 38 6.418 -7.357 -6.334 304 HB2 ARG 38 HB2 ARG 38 4.572 -9.630 -6.315 305 HB3 ARG 38 HB3 ARG 38 5.916 -9.789 -7.439 306 HG2 ARG 38 HG2 ARG 38 7.393 -9.091 -5.465 307 HG3 ARG 38 HG3 ARG 38 5.988 -9.463 -4.469 308 HD2 ARG 38 HD2 ARG 38 6.013 -11.725 -5.078 309 HD3 ARG 38 HD3 ARG 38 7.067 -11.427 -6.460 310 HE ARG 38 HE ARG 38 8.011 -11.111 -3.676 311 HH11 ARG 38 HH11 ARG 38 8.369 -12.370 -6.920 312 HH12 ARG 38 HH12 ARG 38 9.940 -13.045 -6.629 313 HH21 ARG 38 HH21 ARG 38 10.074 -11.983 -3.282 314 HH22 ARG 38 HH22 ARG 38 10.919 -12.823 -4.549 315 H LYS 39 H LYS 39 3.629 -7.339 -8.472 316 HA LYS 39 HA LYS 39 5.215 -7.635 -10.832 317 HB2 LYS 39 HB2 LYS 39 3.248 -6.923 -12.071 318 HB3 LYS 39 HB3 LYS 39 2.804 -8.107 -10.852 319 HG2 LYS 39 HG2 LYS 39 2.064 -6.229 -9.397 320 HG3 LYS 39 HG3 LYS 39 2.364 -5.137 -10.753 321 HD2 LYS 39 HD2 LYS 39 0.768 -6.394 -12.117 322 HD3 LYS 39 HD3 LYS 39 0.463 -7.481 -10.761 323 HE2 LYS 39 HE2 LYS 39 -0.277 -5.486 -9.442 324 HE3 LYS 39 HE3 LYS 39 -0.155 -4.536 -10.924 325 HZ1 LYS 39 HZ1 LYS 39 -1.776 -6.055 -11.948 326 HZ2 LYS 39 HZ2 LYS 39 -2.411 -5.261 -10.591 327 HZ3 LYS 39 HZ3 LYS 39 -1.923 -6.882 -10.472 328 H PHE 40 H PHE 40 4.545 -5.058 -8.683 329 HA PHE 40 HA PHE 40 5.441 -2.983 -10.514 330 HB2 PHE 40 HB2 PHE 40 3.618 -2.763 -8.702 331 HB3 PHE 40 HB3 PHE 40 4.947 -2.668 -7.559 332 HD1 PHE 40 HD1 PHE 40 3.642 -1.078 -10.653 333 HD2 PHE 40 HD2 PHE 40 5.918 -0.620 -7.090 334 HE1 PHE 40 HE1 PHE 40 3.820 1.337 -11.085 335 HE2 PHE 40 HE2 PHE 40 6.105 1.796 -7.513 336 HZ PHE 40 HZ PHE 40 5.054 2.779 -9.512 337 H LYS 41 H LYS 41 6.924 -5.343 -8.899 338 HA LYS 41 HA LYS 41 8.970 -3.939 -7.478 339 HB2 LYS 41 HB2 LYS 41 8.165 -6.221 -6.878 340 HB3 LYS 41 HB3 LYS 41 8.918 -6.835 -8.340 341 HG2 LYS 41 HG2 LYS 41 11.111 -6.131 -7.486 342 HG3 LYS 41 HG3 LYS 41 10.335 -5.564 -6.005 343 HD2 LYS 41 HD2 LYS 41 11.316 -7.789 -5.704 344 HD3 LYS 41 HD3 LYS 41 9.561 -7.833 -5.529 345 HE2 LYS 41 HE2 LYS 41 10.333 -9.731 -6.837 346 HE3 LYS 41 HE3 LYS 41 9.357 -8.653 -7.832 347 HZ1 LYS 41 HZ1 LYS 41 12.330 -8.674 -7.794 348 HZ2 LYS 41 HZ2 LYS 41 11.339 -7.774 -8.832 349 HZ3 LYS 41 HZ3 LYS 41 11.377 -9.460 -8.955 350 H GLU 42 H GLU 42 8.490 -4.026 -10.646 351 HA GLU 42 HA GLU 42 11.331 -4.191 -11.321 352 HB2 GLU 42 HB2 GLU 42 8.854 -4.113 -13.034 353 HB3 GLU 42 HB3 GLU 42 10.472 -3.933 -13.693 354 HG2 GLU 42 HG2 GLU 42 11.046 -6.133 -12.636 355 HG3 GLU 42 HG3 GLU 42 9.334 -6.318 -12.264 356 H TYR 43 H TYR 43 9.440 -2.042 -10.010 357 HA TYR 43 HA TYR 43 10.317 0.288 -11.520 358 HB2 TYR 43 HB2 TYR 43 8.036 -0.019 -10.271 359 HB3 TYR 43 HB3 TYR 43 8.967 0.366 -8.829 360 HD1 TYR 43 HD2 TYR 43 7.970 1.661 -12.155 361 HD2 TYR 43 HD1 TYR 43 9.472 2.613 -8.288 362 HE1 TYR 43 HE2 TYR 43 7.654 4.052 -12.626 363 HE2 TYR 43 HE1 TYR 43 9.157 5.010 -8.749 364 HH TYR 43 HH TYR 43 8.982 6.515 -10.707 365 H CYS 44 H CYS 44 12.430 0.690 -11.276 366 HA CYS 44 HA CYS 44 13.993 -0.318 -9.162 367 HB2 CYS 44 HB2 CYS 44 14.807 0.248 -11.467 368 HB3 CYS 44 HB3 CYS 44 14.726 1.949 -11.021 369 HG CYS 44 HG CYS 44 17.153 -0.188 -10.567 370 H GLU 45 H GLU 45 12.575 2.857 -9.721 371 HA GLU 45 HA GLU 45 13.719 3.972 -7.310 372 HB2 GLU 45 HB2 GLU 45 11.652 5.013 -9.252 373 HB3 GLU 45 HB3 GLU 45 12.233 5.919 -7.862 374 HG2 GLU 45 HG2 GLU 45 14.458 5.969 -8.765 375 HG3 GLU 45 HG3 GLU 45 13.972 4.927 -10.104 376 H GLY 46 H GLY 46 11.409 5.445 -6.493 377 HA2 GLY 46 HA2 GLY 46 9.260 3.679 -5.905 378 HA3 GLY 46 HA3 GLY 46 10.345 3.838 -4.531 379 H LEU 47 H LEU 47 9.554 5.187 -3.116 380 HA LEU 47 HA LEU 47 8.821 7.850 -3.692 381 HB2 LEU 47 HB2 LEU 47 6.853 6.759 -4.654 382 HB3 LEU 47 HB3 LEU 47 6.582 5.886 -3.162 383 HG LEU 47 HG LEU 47 6.570 8.866 -3.059 384 HD11 LEU 47 HD11 LEU 47 4.220 8.914 -3.703 385 HD12 LEU 47 HD12 LEU 47 4.274 7.189 -4.075 386 HD13 LEU 47 HD13 LEU 47 5.219 8.329 -5.033 387 HD21 LEU 47 HD21 LEU 47 4.985 6.686 -1.701 388 HD22 LEU 47 HD22 LEU 47 4.825 8.412 -1.387 389 HD23 LEU 47 HD23 LEU 47 6.335 7.586 -1.007 390 H GLN 48 H GLN 48 9.181 8.966 -1.858 391 HA GLN 48 HA GLN 48 9.497 7.413 0.590 392 HB2 GLN 48 HB2 GLN 48 10.674 10.004 -0.363 393 HB3 GLN 48 HB3 GLN 48 10.686 9.589 1.344 394 HG2 GLN 48 HG2 GLN 48 12.771 8.942 0.365 395 HG3 GLN 48 HG3 GLN 48 11.862 7.492 0.795 396 HE21 GLN 48 HE21 GLN 48 12.624 6.076 -0.634 397 HE22 GLN 48 HE22 GLN 48 12.454 6.244 -2.339 398 H PHE 49 H PHE 49 9.249 9.115 2.592 399 HA PHE 49 HA PHE 49 6.524 9.341 3.043 400 HB2 PHE 49 HB2 PHE 49 7.076 10.565 5.048 401 HB3 PHE 49 HB3 PHE 49 8.283 9.313 4.800 402 HD1 PHE 49 HD1 PHE 49 10.549 9.946 3.961 403 HD2 PHE 49 HD2 PHE 49 7.668 12.852 5.125 404 HE1 PHE 49 HE1 PHE 49 12.328 11.637 4.129 405 HE2 PHE 49 HE2 PHE 49 9.439 14.550 5.292 406 HZ PHE 49 HZ PHE 49 11.772 13.944 4.796 407 H HIS 50 H HIS 50 8.733 11.737 1.765 408 HA HIS 50 HA HIS 50 6.931 13.938 1.990 409 HB2 HIS 50 HB2 HIS 50 9.304 14.370 1.945 410 HB3 HIS 50 HB3 HIS 50 9.467 13.573 0.386 411 HD1 HIS 50 HD1 HIS 50 9.165 14.967 -1.659 412 HD2 HIS 50 HD2 HIS 50 7.898 16.914 1.793 413 HE1 HIS 50 HE1 HIS 50 8.661 17.334 -2.355 414 HE2 HIS 50 HE2 HIS 50 7.653 18.405 -0.309 415 H GLU 51 H GLU 51 7.555 11.516 -0.418 416 HA GLU 51 HA GLU 51 6.139 12.963 -2.492 417 HB2 GLU 51 HB2 GLU 51 7.496 10.269 -2.418 418 HB3 GLU 51 HB3 GLU 51 6.571 10.819 -3.805 419 HG2 GLU 51 HG2 GLU 51 8.957 11.173 -4.116 420 HG3 GLU 51 HG3 GLU 51 8.073 12.694 -4.102 421 H LEU 52 H LEU 52 5.360 10.934 0.057 422 HA LEU 52 HA LEU 52 3.142 9.560 -1.108 423 HB2 LEU 52 HB2 LEU 52 4.524 9.013 1.047 424 HB3 LEU 52 HB3 LEU 52 3.417 10.120 1.830 425 HG LEU 52 HG LEU 52 2.754 7.774 2.130 426 HD11 LEU 52 HD11 LEU 52 0.419 7.961 1.409 427 HD12 LEU 52 HD12 LEU 52 0.850 9.357 0.417 428 HD13 LEU 52 HD13 LEU 52 1.009 9.440 2.172 429 HD21 LEU 52 HD21 LEU 52 2.453 7.759 -0.867 430 HD22 LEU 52 HD22 LEU 52 1.906 6.485 0.224 431 HD23 LEU 52 HD23 LEU 52 3.627 6.842 0.076 432 H THR 53 H THR 53 1.755 10.976 -2.061 433 HA THR 53 HA THR 53 0.492 12.978 -0.317 434 HB THR 53 HB THR 53 0.138 14.326 -2.435 435 HG1 THR 53 HG1 THR 53 2.299 12.801 -3.462 436 HG21 THR 53 HG21 THR 53 2.394 15.292 -2.409 437 HG22 THR 53 HG22 THR 53 2.984 13.882 -1.529 438 HG23 THR 53 HG23 THR 53 1.814 14.964 -0.775 439 H GLU 54 H GLU 54 -1.713 13.559 -0.982 440 HA GLU 54 HA GLU 54 -3.384 11.383 -1.461 441 HB2 GLU 54 HB2 GLU 54 -4.208 13.396 -0.378 442 HB3 GLU 54 HB3 GLU 54 -3.898 14.348 -1.821 443 HG2 GLU 54 HG2 GLU 54 -5.685 12.070 -2.256 444 HG3 GLU 54 HG3 GLU 54 -6.299 13.263 -1.117 445 H ASP 55 H ASP 55 -1.919 13.698 -3.653 446 HA ASP 55 HA ASP 55 -3.447 13.245 -5.929 447 HB2 ASP 55 HB2 ASP 55 -1.802 15.082 -5.683 448 HB3 ASP 55 HB3 ASP 55 -0.500 13.906 -5.827 449 H PHE 56 H PHE 56 -0.537 11.552 -4.798 450 HA PHE 56 HA PHE 56 -0.262 9.829 -7.008 451 HB2 PHE 56 HB2 PHE 56 1.518 10.095 -5.341 452 HB3 PHE 56 HB3 PHE 56 0.495 9.355 -4.115 453 HD1 PHE 56 HD2 PHE 56 2.464 8.746 -7.153 454 HD2 PHE 56 HD1 PHE 56 0.199 6.970 -4.009 455 HE1 PHE 56 HE2 PHE 56 3.342 6.533 -7.770 456 HE2 PHE 56 HE1 PHE 56 1.078 4.759 -4.624 457 HZ PHE 56 HZ PHE 56 2.651 4.536 -6.504 458 H LEU 57 H LEU 57 -1.855 9.335 -3.872 459 HA LEU 57 HA LEU 57 -2.829 6.758 -4.358 460 HB2 LEU 57 HB2 LEU 57 -3.618 8.991 -2.520 461 HB3 LEU 57 HB3 LEU 57 -4.600 7.539 -2.607 462 HG LEU 57 HG LEU 57 -3.059 7.462 -0.728 463 HD11 LEU 57 HD11 LEU 57 -2.312 5.486 -2.872 464 HD12 LEU 57 HD12 LEU 57 -3.713 5.375 -1.806 465 HD13 LEU 57 HD13 LEU 57 -2.087 5.280 -1.133 466 HD21 LEU 57 HD21 LEU 57 -0.655 7.297 -1.039 467 HD22 LEU 57 HD22 LEU 57 -1.264 8.847 -1.621 468 HD23 LEU 57 HD23 LEU 57 -0.850 7.576 -2.771 469 H ARG 58 H ARG 58 -4.278 9.921 -4.864 470 HA ARG 58 HA ARG 58 -6.840 9.052 -5.640 471 HB2 ARG 58 HB2 ARG 58 -6.199 11.331 -4.848 472 HB3 ARG 58 HB3 ARG 58 -5.410 11.605 -6.391 473 HG2 ARG 58 HG2 ARG 58 -7.509 11.473 -7.547 474 HG3 ARG 58 HG3 ARG 58 -8.340 11.019 -6.054 475 HD2 ARG 58 HD2 ARG 58 -7.686 13.173 -5.066 476 HD3 ARG 58 HD3 ARG 58 -6.916 13.626 -6.585 477 HE ARG 58 HE ARG 58 -9.357 13.160 -7.449 478 HH11 ARG 58 HH11 ARG 58 -8.400 14.747 -4.466 479 HH12 ARG 58 HH12 ARG 58 -9.758 15.848 -4.479 480 HH21 ARG 58 HH21 ARG 58 -11.135 14.600 -7.457 481 HH22 ARG 58 HH22 ARG 58 -11.304 15.751 -6.163 482 H ASP 59 H ASP 59 -4.037 10.100 -7.566 483 HA ASP 59 HA ASP 59 -5.235 9.703 -10.088 484 HB2 ASP 59 HB2 ASP 59 -3.289 11.107 -9.878 485 HB3 ASP 59 HB3 ASP 59 -2.332 9.772 -9.248 486 H TYR 60 H TYR 60 -3.372 7.576 -7.986 487 HA TYR 60 HA TYR 60 -3.091 5.486 -9.904 488 HB2 TYR 60 HB2 TYR 60 -1.613 5.797 -7.898 489 HB3 TYR 60 HB3 TYR 60 -2.948 5.252 -6.891 490 HD1 TYR 60 HD1 TYR 60 -0.989 4.141 -9.876 491 HD2 TYR 60 HD2 TYR 60 -3.026 3.020 -6.314 492 HE1 TYR 60 HE1 TYR 60 -0.265 1.814 -10.201 493 HE2 TYR 60 HE2 TYR 60 -2.309 0.689 -6.631 494 HH TYR 60 HH TYR 60 0.079 -0.202 -8.907 495 H LEU 61 H LEU 61 -5.404 6.201 -7.334 496 HA LEU 61 HA LEU 61 -6.956 3.884 -7.438 497 HB2 LEU 61 HB2 LEU 61 -7.330 5.571 -5.745 498 HB3 LEU 61 HB3 LEU 61 -7.771 6.753 -6.962 499 HG LEU 61 HG LEU 61 -9.755 5.310 -7.525 500 HD11 LEU 61 HD11 LEU 61 -8.961 3.886 -4.993 501 HD12 LEU 61 HD12 LEU 61 -8.952 3.205 -6.619 502 HD13 LEU 61 HD13 LEU 61 -10.477 3.672 -5.866 503 HD21 LEU 61 HD21 LEU 61 -9.951 7.308 -6.137 504 HD22 LEU 61 HD22 LEU 61 -9.593 6.349 -4.700 505 HD23 LEU 61 HD23 LEU 61 -11.070 6.049 -5.615 506 H ILE 62 H ILE 62 -7.370 6.926 -9.220 507 HA ILE 62 HA ILE 62 -9.496 6.075 -10.846 508 HB ILE 62 HB ILE 62 -7.367 8.119 -11.516 509 HG12 ILE 62 HG12 ILE 62 -10.084 8.511 -10.241 510 HG13 ILE 62 HG13 ILE 62 -8.548 8.570 -9.382 511 HG21 ILE 62 HG21 ILE 62 -10.122 7.677 -12.657 512 HG22 ILE 62 HG22 ILE 62 -8.583 7.467 -13.493 513 HG23 ILE 62 HG23 ILE 62 -9.103 9.077 -12.994 514 HD11 ILE 62 HD11 ILE 62 -9.412 10.801 -9.874 515 HD12 ILE 62 HD12 ILE 62 -9.378 10.431 -11.599 516 HD13 ILE 62 HD13 ILE 62 -7.874 10.505 -10.683 517 H TYR 63 H TYR 63 -5.987 6.097 -11.446 518 HA TYR 63 HA TYR 63 -5.974 5.140 -14.049 519 HB2 TYR 63 HB2 TYR 63 -3.963 5.964 -12.992 520 HB3 TYR 63 HB3 TYR 63 -4.008 4.668 -11.804 521 HD1 TYR 63 HD2 TYR 63 -3.739 5.224 -15.483 522 HD2 TYR 63 HD1 TYR 63 -2.756 2.754 -12.161 523 HE1 TYR 63 HE2 TYR 63 -2.304 3.853 -16.935 524 HE2 TYR 63 HE1 TYR 63 -1.319 1.377 -13.603 525 HH TYR 63 HH TYR 63 -0.457 2.342 -16.796 526 H MET 64 H MET 64 -6.147 3.347 -11.021 527 HA MET 64 HA MET 64 -5.822 0.785 -12.197 528 HB2 MET 64 HB2 MET 64 -5.327 1.315 -9.841 529 HB3 MET 64 HB3 MET 64 -7.040 1.535 -9.543 530 HG2 MET 64 HG2 MET 64 -7.465 -0.675 -9.496 531 HG3 MET 64 HG3 MET 64 -6.256 -1.044 -10.724 532 HE1 MET 64 HE1 MET 64 -6.604 0.226 -6.976 533 HE2 MET 64 HE2 MET 64 -5.333 1.204 -7.713 534 HE3 MET 64 HE3 MET 64 -4.931 0.046 -6.446 535 H LYS 65 H LYS 65 -8.659 2.672 -11.248 536 HA LYS 65 HA LYS 65 -10.446 0.521 -11.989 537 HB2 LYS 65 HB2 LYS 65 -12.244 1.991 -11.312 538 HB3 LYS 65 HB3 LYS 65 -10.976 2.000 -10.097 539 HG2 LYS 65 HG2 LYS 65 -10.167 4.138 -10.960 540 HG3 LYS 65 HG3 LYS 65 -11.455 4.127 -12.167 541 HD2 LYS 65 HD2 LYS 65 -11.843 4.130 -9.174 542 HD3 LYS 65 HD3 LYS 65 -12.040 5.520 -10.243 543 HE2 LYS 65 HE2 LYS 65 -13.843 4.347 -11.422 544 HE3 LYS 65 HE3 LYS 65 -13.651 2.967 -10.339 545 HZ1 LYS 65 HZ1 LYS 65 -14.428 5.714 -9.517 546 HZ2 LYS 65 HZ2 LYS 65 -14.263 4.382 -8.482 547 HZ3 LYS 65 HZ3 LYS 65 -15.482 4.395 -9.662 548 H LYS 66 H LYS 66 -9.081 3.283 -13.527 549 HA LYS 66 HA LYS 66 -11.128 3.369 -15.607 550 HB2 LYS 66 HB2 LYS 66 -10.380 5.474 -14.701 551 HB3 LYS 66 HB3 LYS 66 -8.705 5.078 -15.034 552 HG2 LYS 66 HG2 LYS 66 -9.215 5.140 -17.453 553 HG3 LYS 66 HG3 LYS 66 -10.861 5.650 -17.056 554 HD2 LYS 66 HD2 LYS 66 -9.978 7.620 -15.911 555 HD3 LYS 66 HD3 LYS 66 -8.332 7.111 -16.287 556 HE2 LYS 66 HE2 LYS 66 -8.808 7.318 -18.670 557 HE3 LYS 66 HE3 LYS 66 -10.462 7.810 -18.300 558 HZ1 LYS 66 HZ1 LYS 66 -9.156 9.749 -18.731 559 HZ2 LYS 66 HZ2 LYS 66 -7.973 9.281 -17.609 560 HZ3 LYS 66 HZ3 LYS 66 -9.524 9.719 -17.075 561 H THR 67 H THR 67 -7.549 3.305 -15.603 562 HA THR 67 HA THR 67 -7.513 2.482 -18.356 563 HB THR 67 HB THR 67 -5.126 2.537 -16.519 564 HG1 THR 67 HG1 THR 67 -5.577 4.863 -17.894 565 HG21 THR 67 HG21 THR 67 -4.838 1.674 -18.815 566 HG22 THR 67 HG22 THR 67 -3.938 3.165 -18.541 567 HG23 THR 67 HG23 THR 67 -5.449 3.205 -19.447 568 H LEU 68 H LEU 68 -6.821 0.984 -15.229 569 HA LEU 68 HA LEU 68 -6.173 -1.551 -16.496 570 HB2 LEU 68 HB2 LEU 68 -6.421 -0.848 -13.571 571 HB3 LEU 68 HB3 LEU 68 -5.802 -2.358 -14.209 572 HG LEU 68 HG LEU 68 -4.519 0.352 -14.588 573 HD11 LEU 68 HD11 LEU 68 -4.360 -0.436 -12.288 574 HD12 LEU 68 HD12 LEU 68 -2.790 -0.504 -13.089 575 HD13 LEU 68 HD13 LEU 68 -3.724 -1.980 -12.852 576 HD21 LEU 68 HD21 LEU 68 -3.551 -2.404 -15.356 577 HD22 LEU 68 HD22 LEU 68 -2.649 -0.898 -15.536 578 HD23 LEU 68 HD23 LEU 68 -4.120 -1.164 -16.473 579 H CYS 69 H CYS 69 -8.905 0.069 -15.406 580 HA CYS 69 HA CYS 69 -11.066 -0.463 -15.024 581 HB2 CYS 69 HB2 CYS 69 -10.896 -1.260 -17.340 582 HB3 CYS 69 HB3 CYS 69 -10.403 -2.849 -16.762 583 HG CYS 69 HG CYS 69 -12.880 -3.294 -15.424 584 H ASN 70 H ASN 70 -10.474 -0.823 -12.765 585 HA ASN 70 HA ASN 70 -11.018 -3.610 -11.987 586 HB2 ASN 70 HB2 ASN 70 -9.211 -1.572 -10.703 587 HB3 ASN 70 HB3 ASN 70 -9.914 -2.866 -9.746 588 HD21 ASN 70 HD21 ASN 70 -8.871 -3.156 -13.096 589 HD22 ASN 70 HD22 ASN 70 -7.573 -4.252 -12.778 590 H ALA 71 H ALA 71 -12.199 -3.821 -9.923 591 HA ALA 71 HA ALA 71 -14.382 -1.942 -9.808 592 HB1 ALA 71 HB1 ALA 71 -15.363 -3.458 -8.194 593 HB2 ALA 71 HB2 ALA 71 -13.846 -4.347 -8.064 594 HB3 ALA 71 HB3 ALA 71 -14.756 -4.369 -9.576 595 H ASP 72 H ASP 72 -15.113 -1.053 -7.708 596 HA ASP 72 HA ASP 72 -13.164 0.598 -6.564 597 HB2 ASP 72 HB2 ASP 72 -15.528 1.176 -6.547 598 HB3 ASP 72 HB3 ASP 72 -15.889 -0.188 -5.496 599 H SER 73 H SER 73 -14.678 -2.347 -5.305 600 HA SER 73 HA SER 73 -13.299 -2.355 -2.838 601 HB2 SER 73 HB2 SER 73 -14.508 -4.704 -4.317 602 HB3 SER 73 HB3 SER 73 -14.148 -4.622 -2.593 603 HG SER 73 HG SER 73 -15.614 -2.627 -2.768 604 H THR 74 H THR 74 -12.335 -3.266 -6.015 605 HA THR 74 HA THR 74 -10.184 -4.986 -5.143 606 HB THR 74 HB THR 74 -10.457 -3.773 -7.893 607 HG1 THR 74 HG1 THR 74 -11.604 -6.277 -7.330 608 HG21 THR 74 HG21 THR 74 -9.415 -5.886 -8.582 609 HG22 THR 74 HG22 THR 74 -9.355 -6.406 -6.898 610 HG23 THR 74 HG23 THR 74 -8.407 -5.015 -7.428 611 H ALA 75 H ALA 75 -10.534 -1.750 -6.551 612 HA ALA 75 HA ALA 75 -7.789 -1.123 -6.643 613 HB1 ALA 75 HB1 ALA 75 -10.144 0.754 -6.443 614 HB2 ALA 75 HB2 ALA 75 -9.479 0.090 -7.936 615 HB3 ALA 75 HB3 ALA 75 -8.512 1.188 -6.950 616 H GLN 76 H GLN 76 -10.283 -0.350 -4.236 617 HA GLN 76 HA GLN 76 -8.693 1.089 -2.457 618 HB2 GLN 76 HB2 GLN 76 -11.186 -0.567 -2.145 619 HB3 GLN 76 HB3 GLN 76 -10.459 0.273 -0.793 620 HG2 GLN 76 HG2 GLN 76 -11.213 1.683 -3.323 621 HG3 GLN 76 HG3 GLN 76 -12.358 1.448 -2.000 622 HE21 GLN 76 HE21 GLN 76 -12.019 2.511 -0.051 623 HE22 GLN 76 HE22 GLN 76 -10.943 3.863 0.086 624 H ARG 77 H ARG 77 -9.181 -2.361 -2.850 625 HA ARG 77 HA ARG 77 -7.957 -3.180 -0.432 626 HB2 ARG 77 HB2 ARG 77 -9.458 -4.527 -1.994 627 HB3 ARG 77 HB3 ARG 77 -8.034 -4.755 -2.998 628 HG2 ARG 77 HG2 ARG 77 -6.897 -5.815 -1.078 629 HG3 ARG 77 HG3 ARG 77 -8.398 -5.674 -0.155 630 HD2 ARG 77 HD2 ARG 77 -9.497 -6.926 -2.081 631 HD3 ARG 77 HD3 ARG 77 -7.864 -7.301 -2.623 632 HE ARG 77 HE ARG 77 -8.036 -8.034 0.056 633 HH11 ARG 77 HH11 ARG 77 -9.448 -8.903 -3.023 634 HH12 ARG 77 HH12 ARG 77 -9.820 -10.531 -2.542 635 HH21 ARG 77 HH21 ARG 77 -8.543 -10.181 0.706 636 HH22 ARG 77 HH22 ARG 77 -9.306 -11.259 -0.425 637 H ASN 78 H ASN 78 -6.748 -2.667 -3.715 638 HA ASN 78 HA ASN 78 -4.126 -3.608 -3.218 639 HB2 ASN 78 HB2 ASN 78 -5.204 -3.464 -5.466 640 HB3 ASN 78 HB3 ASN 78 -5.096 -1.711 -5.361 641 HD21 ASN 78 HD21 ASN 78 -3.146 -0.714 -5.631 642 HD22 ASN 78 HD22 ASN 78 -1.757 -1.538 -6.220 643 H LEU 79 H LEU 79 -5.685 -0.459 -3.126 644 HA LEU 79 HA LEU 79 -3.369 1.073 -2.621 645 HB2 LEU 79 HB2 LEU 79 -6.277 1.538 -2.010 646 HB3 LEU 79 HB3 LEU 79 -5.036 2.703 -1.590 647 HG LEU 79 HG LEU 79 -5.637 1.750 -4.391 648 HD11 LEU 79 HD11 LEU 79 -7.439 3.116 -3.483 649 HD12 LEU 79 HD12 LEU 79 -6.550 3.993 -4.727 650 HD13 LEU 79 HD13 LEU 79 -6.277 4.359 -3.023 651 HD21 LEU 79 HD21 LEU 79 -3.300 2.368 -4.080 652 HD22 LEU 79 HD22 LEU 79 -3.796 3.913 -3.390 653 HD23 LEU 79 HD23 LEU 79 -4.146 3.551 -5.079 654 H SER 80 H SER 80 -5.538 -0.724 -0.515 655 HA SER 80 HA SER 80 -4.638 0.223 1.954 656 HB2 SER 80 HB2 SER 80 -5.671 -2.523 1.222 657 HB3 SER 80 HB3 SER 80 -5.486 -1.925 2.872 658 HG SER 80 HG SER 80 -7.282 -0.855 2.663 659 H THR 81 H THR 81 -3.039 -1.836 -0.317 660 HA THR 81 HA THR 81 -1.229 -3.042 1.542 661 HB THR 81 HB THR 81 -0.855 -2.671 -1.440 662 HG1 THR 81 HG1 THR 81 -2.761 -3.985 -0.218 663 HG21 THR 81 HG21 THR 81 0.558 -4.672 -1.259 664 HG22 THR 81 HG22 THR 81 0.299 -4.697 0.486 665 HG23 THR 81 HG23 THR 81 1.178 -3.361 -0.255 666 H ILE 82 H ILE 82 -1.040 -0.253 -0.662 667 HA ILE 82 HA ILE 82 1.562 0.546 0.202 668 HB ILE 82 HB ILE 82 -0.612 2.227 -1.070 669 HG12 ILE 82 HG12 ILE 82 1.717 0.785 -2.358 670 HG13 ILE 82 HG13 ILE 82 0.043 0.251 -2.423 671 HG21 ILE 82 HG21 ILE 82 1.109 3.582 0.010 672 HG22 ILE 82 HG22 ILE 82 1.217 3.712 -1.746 673 HG23 ILE 82 HG23 ILE 82 2.361 2.700 -0.865 674 HD11 ILE 82 HD11 ILE 82 -0.557 2.286 -3.629 675 HD12 ILE 82 HD12 ILE 82 0.681 1.358 -4.476 676 HD13 ILE 82 HD13 ILE 82 1.128 2.807 -3.574 677 H LYS 83 H LYS 83 -1.717 1.186 1.183 678 HA LYS 83 HA LYS 83 -1.471 3.226 3.010 679 HB2 LYS 83 HB2 LYS 83 -3.621 2.393 2.492 680 HB3 LYS 83 HB3 LYS 83 -3.195 0.764 2.987 681 HG2 LYS 83 HG2 LYS 83 -3.004 1.593 5.326 682 HG3 LYS 83 HG3 LYS 83 -3.632 3.146 4.766 683 HD2 LYS 83 HD2 LYS 83 -5.658 2.100 4.021 684 HD3 LYS 83 HD3 LYS 83 -5.036 0.506 4.425 685 HE2 LYS 83 HE2 LYS 83 -4.924 1.210 6.799 686 HE3 LYS 83 HE3 LYS 83 -5.667 2.744 6.339 687 HZ1 LYS 83 HZ1 LYS 83 -7.336 1.240 7.159 688 HZ2 LYS 83 HZ2 LYS 83 -6.871 0.045 6.053 689 HZ3 LYS 83 HZ3 LYS 83 -7.580 1.483 5.496 690 H ILE 84 H ILE 84 -0.691 -0.217 3.492 691 HA ILE 84 HA ILE 84 -0.253 -0.123 6.255 692 HB ILE 84 HB ILE 84 1.225 -1.791 4.202 693 HG12 ILE 84 HG12 ILE 84 -1.195 -2.121 4.096 694 HG13 ILE 84 HG13 ILE 84 -0.409 -3.547 4.765 695 HG21 ILE 84 HG21 ILE 84 2.424 -1.764 6.302 696 HG22 ILE 84 HG22 ILE 84 1.662 -3.337 6.066 697 HG23 ILE 84 HG23 ILE 84 0.948 -2.170 7.180 698 HD11 ILE 84 HD11 ILE 84 -1.875 -1.424 6.314 699 HD12 ILE 84 HD12 ILE 84 -1.048 -2.813 7.019 700 HD13 ILE 84 HD13 ILE 84 -2.443 -3.057 5.969 701 H TYR 85 H TYR 85 1.846 0.738 3.564 702 HA TYR 85 HA TYR 85 4.184 1.249 5.109 703 HB2 TYR 85 HB2 TYR 85 4.401 0.887 2.739 704 HB3 TYR 85 HB3 TYR 85 3.290 2.202 2.381 705 HD1 TYR 85 HD1 TYR 85 6.663 1.453 3.734 706 HD2 TYR 85 HD2 TYR 85 4.084 4.405 2.088 707 HE1 TYR 85 HE1 TYR 85 8.570 2.984 3.510 708 HE2 TYR 85 HE2 TYR 85 5.989 5.950 1.863 709 HH TYR 85 HH TYR 85 8.225 6.287 2.873 710 H VAL 86 H VAL 86 1.687 3.321 3.736 711 HA VAL 86 HA VAL 86 2.548 5.793 4.702 712 HB VAL 86 HB VAL 86 -0.298 4.873 4.275 713 HG11 VAL 86 HG11 VAL 86 -0.757 7.238 3.817 714 HG12 VAL 86 HG12 VAL 86 0.914 7.633 4.215 715 HG13 VAL 86 HG13 VAL 86 -0.159 6.992 5.459 716 HG21 VAL 86 HG21 VAL 86 1.061 4.409 2.310 717 HG22 VAL 86 HG22 VAL 86 1.632 6.077 2.298 718 HG23 VAL 86 HG23 VAL 86 -0.069 5.726 1.996 719 H SER 87 H SER 87 0.121 3.592 6.031 720 HA SER 87 HA SER 87 -0.546 5.145 8.257 721 HB2 SER 87 HB2 SER 87 -1.077 2.403 7.283 722 HB3 SER 87 HB3 SER 87 -1.307 2.663 9.013 723 HG SER 87 HG SER 87 -2.365 4.522 7.199 724 H ALA 88 H ALA 88 1.915 2.630 7.855 725 HA ALA 88 HA ALA 88 2.547 2.453 10.629 726 HB1 ALA 88 HB1 ALA 88 3.156 0.675 9.083 727 HB2 ALA 88 HB2 ALA 88 4.589 1.311 9.891 728 HB3 ALA 88 HB3 ALA 88 4.238 1.772 8.225 729 H ALA 89 H ALA 89 3.659 4.469 7.977 730 HA ALA 89 HA ALA 89 5.883 5.589 9.384 731 HB1 ALA 89 HB1 ALA 89 5.794 5.508 6.933 732 HB2 ALA 89 HB2 ALA 89 6.031 7.151 7.528 733 HB3 ALA 89 HB3 ALA 89 4.442 6.644 6.953 734 H ILE 90 H ILE 90 2.512 6.326 9.160 735 HA ILE 90 HA ILE 90 2.789 8.926 10.369 736 HB ILE 90 HB ILE 90 0.291 7.267 9.956 737 HG12 ILE 90 HG12 ILE 90 1.367 9.546 8.286 738 HG13 ILE 90 HG13 ILE 90 1.562 7.846 7.872 739 HG21 ILE 90 HG21 ILE 90 0.034 9.007 11.668 740 HG22 ILE 90 HG22 ILE 90 -0.909 9.377 10.226 741 HG23 ILE 90 HG23 ILE 90 0.614 10.216 10.521 742 HD11 ILE 90 HD11 ILE 90 -0.261 8.869 6.638 743 HD12 ILE 90 HD12 ILE 90 -1.055 9.300 8.153 744 HD13 ILE 90 HD13 ILE 90 -0.853 7.604 7.714 745 H LYS 91 H LYS 91 2.186 5.656 11.392 746 HA LYS 91 HA LYS 91 1.052 6.257 13.931 747 HB2 LYS 91 HB2 LYS 91 0.917 4.085 12.546 748 HB3 LYS 91 HB3 LYS 91 2.494 3.709 13.220 749 HG2 LYS 91 HG2 LYS 91 0.164 4.350 14.988 750 HG3 LYS 91 HG3 LYS 91 0.404 2.730 14.336 751 HD2 LYS 91 HD2 LYS 91 2.675 2.724 15.352 752 HD3 LYS 91 HD3 LYS 91 2.301 4.280 16.098 753 HE2 LYS 91 HE2 LYS 91 1.944 2.453 17.672 754 HE3 LYS 91 HE3 LYS 91 0.424 3.258 17.287 755 HZ1 LYS 91 HZ1 LYS 91 0.174 0.854 17.285 756 HZ2 LYS 91 HZ2 LYS 91 1.377 0.702 16.102 757 HZ3 LYS 91 HZ3 LYS 91 -0.086 1.473 15.729 758 H LYS 92 H LYS 92 4.308 5.253 12.905 759 HA LYS 92 HA LYS 92 5.485 7.037 14.795 760 HB2 LYS 92 HB2 LYS 92 4.979 4.996 16.180 761 HB3 LYS 92 HB3 LYS 92 6.074 4.094 15.140 762 HG2 LYS 92 HG2 LYS 92 7.910 5.563 15.797 763 HG3 LYS 92 HG3 LYS 92 6.808 6.460 16.849 764 HD2 LYS 92 HD2 LYS 92 6.358 4.370 18.080 765 HD3 LYS 92 HD3 LYS 92 7.564 3.555 17.082 766 HE2 LYS 92 HE2 LYS 92 9.284 5.092 17.882 767 HE3 LYS 92 HE3 LYS 92 8.086 5.942 18.854 768 HZ1 LYS 92 HZ1 LYS 92 9.037 3.152 19.226 769 HZ2 LYS 92 HZ2 LYS 92 7.729 3.824 20.069 770 HZ3 LYS 92 HZ3 LYS 92 9.280 4.473 20.259 771 H GLY 93 H GLY 93 5.923 7.586 12.451 772 HA2 GLY 93 HA2 GLY 93 8.515 6.381 11.752 773 HA3 GLY 93 HA3 GLY 93 7.287 6.606 10.515 774 H TYR 94 H TYR 94 6.507 8.877 10.215 775 HA TYR 94 HA TYR 94 8.364 10.962 10.950 776 HB2 TYR 94 HB2 TYR 94 9.213 9.507 8.880 777 HB3 TYR 94 HB3 TYR 94 8.120 10.574 8.006 778 HD1 TYR 94 HD2 TYR 94 8.487 13.104 8.252 779 HD2 TYR 94 HD1 TYR 94 11.351 10.203 9.468 780 HE1 TYR 94 HE2 TYR 94 10.242 14.826 8.205 781 HE2 TYR 94 HE1 TYR 94 13.112 11.916 9.425 782 HH TYR 94 HH TYR 94 12.416 15.262 9.176 783 H MET 95 H MET 95 5.669 9.919 8.914 784 HA MET 95 HA MET 95 4.805 12.552 8.252 785 HB2 MET 95 HB2 MET 95 3.337 9.915 8.067 786 HB3 MET 95 HB3 MET 95 2.858 11.415 7.295 787 HG2 MET 95 HG2 MET 95 4.854 11.390 5.930 788 HG3 MET 95 HG3 MET 95 5.409 9.927 6.739 789 HE1 MET 95 HE1 MET 95 1.702 10.132 4.000 790 HE2 MET 95 HE2 MET 95 2.772 11.500 4.316 791 HE3 MET 95 HE3 MET 95 1.749 10.865 5.603 792 H GLU 96 H GLU 96 3.291 13.822 9.192 793 HA GLU 96 HA GLU 96 2.252 12.947 11.781 794 HB2 GLU 96 HB2 GLU 96 2.221 15.682 10.495 795 HB3 GLU 96 HB3 GLU 96 1.661 15.312 12.119 796 HG2 GLU 96 HG2 GLU 96 3.918 14.652 12.754 797 HG3 GLU 96 HG3 GLU 96 4.484 15.009 11.122 798 H ASN 97 H ASN 97 1.108 14.346 8.727 799 HA ASN 97 HA ASN 97 -1.620 13.572 9.454 800 HB2 ASN 97 HB2 ASN 97 -2.353 15.167 7.687 801 HB3 ASN 97 HB3 ASN 97 -1.485 15.941 9.004 802 HD21 ASN 97 HD21 ASN 97 0.492 16.869 8.629 803 HD22 ASN 97 HD22 ASN 97 1.121 17.113 7.033 804 H ASP 98 H ASP 98 -2.946 12.748 7.726 805 HA ASP 98 HA ASP 98 -1.400 10.922 6.041 806 HB2 ASP 98 HB2 ASP 98 -3.556 9.594 6.094 807 HB3 ASP 98 HB3 ASP 98 -2.670 9.682 7.605 808 HA PRO 99 HA PRO 99 -3.183 12.714 2.427 809 HB2 PRO 99 HB2 PRO 99 -3.129 10.635 0.713 810 HB3 PRO 99 HB3 PRO 99 -1.654 11.432 1.276 811 HG2 PRO 99 HG2 PRO 99 -2.919 8.890 2.239 812 HG3 PRO 99 HG3 PRO 99 -1.211 9.230 1.896 813 HD2 PRO 99 HD2 PRO 99 -2.242 9.256 4.410 814 HD3 PRO 99 HD3 PRO 99 -0.887 10.289 3.912 815 H PHE 100 H PHE 100 -4.748 9.990 3.936 816 HA PHE 100 HA PHE 100 -6.970 10.063 2.080 817 HB2 PHE 100 HB2 PHE 100 -7.930 8.252 3.481 818 HB3 PHE 100 HB3 PHE 100 -6.368 7.900 2.781 819 HD1 PHE 100 HD2 PHE 100 -8.204 8.499 5.875 820 HD2 PHE 100 HD1 PHE 100 -4.420 7.580 4.154 821 HE1 PHE 100 HE2 PHE 100 -7.382 7.781 8.079 822 HE2 PHE 100 HE1 PHE 100 -3.594 6.849 6.354 823 HZ PHE 100 HZ PHE 100 -5.076 6.953 8.322 824 H LYS 101 H LYS 101 -6.084 11.692 4.806 825 HA LYS 101 HA LYS 101 -8.515 12.454 5.929 826 HB2 LYS 101 HB2 LYS 101 -5.778 13.476 5.772 827 HB3 LYS 101 HB3 LYS 101 -6.978 14.744 5.894 828 HG2 LYS 101 HG2 LYS 101 -6.577 12.462 7.807 829 HG3 LYS 101 HG3 LYS 101 -6.171 14.157 8.082 830 HD2 LYS 101 HD2 LYS 101 -8.931 12.996 7.711 831 HD3 LYS 101 HD3 LYS 101 -8.238 13.608 9.214 832 HE2 LYS 101 HE2 LYS 101 -8.001 15.833 8.070 833 HE3 LYS 101 HE3 LYS 101 -8.947 15.168 6.742 834 HZ1 LYS 101 HZ1 LYS 101 -9.866 15.349 9.560 835 HZ2 LYS 101 HZ2 LYS 101 -10.774 14.772 8.254 836 HZ3 LYS 101 HZ3 LYS 101 -10.325 16.406 8.316 837 H ASP 102 H ASP 102 -6.759 13.623 3.107 838 HA ASP 102 HA ASP 102 -9.009 15.372 2.382 839 HB2 ASP 102 HB2 ASP 102 -6.089 15.535 2.060 840 HB3 ASP 102 HB3 ASP 102 -6.997 15.984 0.622 841 H PHE 103 H PHE 103 -8.236 12.351 1.864 842 HA PHE 103 HA PHE 103 -8.109 12.137 -0.973 843 HB2 PHE 103 HB2 PHE 103 -7.135 10.450 0.591 844 HB3 PHE 103 HB3 PHE 103 -8.769 9.987 1.049 845 HD1 PHE 103 HD1 PHE 103 -6.492 10.221 -1.875 846 HD2 PHE 103 HD2 PHE 103 -9.905 8.356 -0.149 847 HE1 PHE 103 HE1 PHE 103 -6.541 8.603 -3.725 848 HE2 PHE 103 HE2 PHE 103 -9.959 6.736 -2.001 849 HZ PHE 103 HZ PHE 103 -8.274 6.857 -3.787 850 H GLY 104 H GLY 104 -9.847 13.252 -1.710 851 HA2 GLY 104 HA2 GLY 104 -11.952 12.997 -2.800 852 HA3 GLY 104 HA3 GLY 104 -12.397 11.799 -1.588 853 H LEU 105 H LEU 105 -10.897 14.221 -0.034 854 HA LEU 105 HA LEU 105 -13.236 15.933 0.307 855 HB2 LEU 105 HB2 LEU 105 -11.794 14.513 2.554 856 HB3 LEU 105 HB3 LEU 105 -12.912 15.840 2.793 857 HG LEU 105 HG LEU 105 -13.677 13.209 1.523 858 HD11 LEU 105 HD11 LEU 105 -12.997 12.852 3.828 859 HD12 LEU 105 HD12 LEU 105 -14.747 12.705 3.672 860 HD13 LEU 105 HD13 LEU 105 -14.042 14.168 4.360 861 HD21 LEU 105 HD21 LEU 105 -15.329 15.500 2.594 862 HD22 LEU 105 HD22 LEU 105 -15.959 13.985 1.949 863 HD23 LEU 105 HD23 LEU 105 -15.092 15.099 0.893 864 H GLU 106 H GLU 106 -11.604 17.134 -1.048 865 HA GLU 106 HA GLU 106 -9.146 17.921 0.124 866 HB2 GLU 106 HB2 GLU 106 -9.239 19.771 -1.677 867 HB3 GLU 106 HB3 GLU 106 -9.091 18.099 -2.184 868 HG2 GLU 106 HG2 GLU 106 -11.737 19.504 -2.070 869 HG3 GLU 106 HG3 GLU 106 -10.683 19.585 -3.478 870 H HIS 107 H HIS 107 -9.102 18.907 1.937 871 HA HIS 107 HA HIS 107 -10.673 21.357 2.341 872 HB2 HIS 107 HB2 HIS 107 -11.910 19.568 3.441 873 HB3 HIS 107 HB3 HIS 107 -10.456 19.017 4.257 874 HD1 HIS 107 HD1 HIS 107 -12.325 22.357 4.109 875 HD2 HIS 107 HD2 HIS 107 -10.525 19.767 6.824 876 HE1 HIS 107 HE1 HIS 107 -12.661 23.400 6.374 877 HE2 HIS 107 HE2 HIS 107 -11.461 21.880 7.985 878 H HIS 108 H HIS 108 -7.759 19.862 2.205 879 HA HIS 108 HA HIS 108 -6.339 20.974 4.377 880 HB2 HIS 108 HB2 HIS 108 -5.433 19.112 3.114 881 HB3 HIS 108 HB3 HIS 108 -5.389 20.082 1.648 882 HD1 HIS 108 HD1 HIS 108 -3.325 21.408 1.208 883 HD2 HIS 108 HD2 HIS 108 -3.487 19.953 5.103 884 HE1 HIS 108 HE1 HIS 108 -1.078 21.926 2.219 885 HE2 HIS 108 HE2 HIS 108 -1.136 20.852 4.501 886 H HIS 109 H HIS 109 -6.751 23.121 4.657 887 HA HIS 109 HA HIS 109 -5.289 24.925 2.939 888 HB2 HIS 109 HB2 HIS 109 -7.767 24.570 2.076 889 HB3 HIS 109 HB3 HIS 109 -8.152 25.677 3.389 890 HD1 HIS 109 HD1 HIS 109 -8.769 27.708 2.016 891 HD2 HIS 109 HD2 HIS 109 -5.058 26.125 0.992 892 HE1 HIS 109 HE1 HIS 109 -7.748 29.346 0.404 893 HE2 HIS 109 HE2 HIS 109 -5.626 28.241 -0.380 894 H HIS 110 H HIS 110 -5.700 23.872 5.808 895 HA HIS 110 HA HIS 110 -6.432 26.218 7.310 896 HB2 HIS 110 HB2 HIS 110 -6.805 23.786 8.023 897 HB3 HIS 110 HB3 HIS 110 -5.090 23.748 8.409 898 HD1 HIS 110 HD1 HIS 110 -5.607 23.386 10.927 899 HD2 HIS 110 HD2 HIS 110 -7.124 26.929 9.356 900 HE1 HIS 110 HE1 HIS 110 -6.320 24.759 12.908 901 HE2 HIS 110 HE2 HIS 110 -7.376 26.828 11.931 902 H HIS 111 H HIS 111 -3.566 24.940 5.942 903 HA HIS 111 HA HIS 111 -1.859 26.613 7.616 904 HB2 HIS 111 HB2 HIS 111 -0.985 24.392 7.172 905 HB3 HIS 111 HB3 HIS 111 -1.163 24.628 5.437 906 HD1 HIS 111 HD1 HIS 111 0.923 25.816 8.360 907 HD2 HIS 111 HD2 HIS 111 0.942 25.903 4.202 908 HE1 HIS 111 HE1 HIS 111 3.163 26.759 7.709 909 HE2 HIS 111 HE2 HIS 111 3.093 26.945 5.193 910 H HIS 112 H HIS 112 -1.728 28.644 7.075 911 HA HIS 112 HA HIS 112 -1.332 29.343 4.244 912 HB2 HIS 112 HB2 HIS 112 -3.597 30.021 4.920 913 HB3 HIS 112 HB3 HIS 112 -2.939 30.887 6.301 914 HD1 HIS 112 HD1 HIS 112 -1.886 33.179 5.878 915 HD2 HIS 112 HD2 HIS 112 -3.335 31.343 2.442 916 HE1 HIS 112 HE1 HIS 112 -1.948 34.981 4.126 917 HE2 HIS 112 HE2 HIS 112 -3.052 33.901 2.137 Start of MODEL 7 1 H1 MET 1 H1 MET 1 17.466 0.950 13.858 2 H2 MET 1 H2 MET 1 16.288 0.255 12.855 3 H3 MET 1 H3 MET 1 15.995 1.753 13.589 4 HA MET 1 HA MET 1 16.511 2.090 11.295 5 HB2 MET 1 HB2 MET 1 18.333 3.676 11.541 6 HB3 MET 1 HB3 MET 1 17.304 3.745 12.966 7 HG2 MET 1 HG2 MET 1 18.907 2.364 14.189 8 HG3 MET 1 HG3 MET 1 19.939 2.303 12.762 9 HE1 MET 1 HE1 MET 1 21.992 4.616 15.136 10 HE2 MET 1 HE2 MET 1 22.034 3.197 14.091 11 HE3 MET 1 HE3 MET 1 21.054 3.183 15.558 12 H ASN 2 H ASN 2 17.481 -0.696 12.058 13 HA ASN 2 HA ASN 2 20.156 -0.994 11.172 14 HB2 ASN 2 HB2 ASN 2 17.919 -3.033 11.264 15 HB3 ASN 2 HB3 ASN 2 19.619 -3.410 11.021 16 HD21 ASN 2 HD21 ASN 2 19.874 -4.642 12.808 17 HD22 ASN 2 HD22 ASN 2 19.788 -4.018 14.426 18 H ASN 3 H ASN 3 17.166 -2.074 9.584 19 HA ASN 3 HA ASN 3 18.330 -1.292 7.013 20 HB2 ASN 3 HB2 ASN 3 17.253 -3.355 6.004 21 HB3 ASN 3 HB3 ASN 3 18.653 -3.650 7.023 22 HD21 ASN 3 HD21 ASN 3 18.335 -4.555 9.100 23 HD22 ASN 3 HD22 ASN 3 16.894 -5.437 9.482 24 HA PRO 4 HA PRO 4 14.245 0.629 7.557 25 HB2 PRO 4 HB2 PRO 4 14.874 3.018 6.530 26 HB3 PRO 4 HB3 PRO 4 15.385 2.546 8.155 27 HG2 PRO 4 HG2 PRO 4 16.951 2.558 5.607 28 HG3 PRO 4 HG3 PRO 4 17.451 3.069 7.228 29 HD2 PRO 4 HD2 PRO 4 18.063 0.629 6.115 30 HD3 PRO 4 HD3 PRO 4 17.982 0.935 7.861 31 H SER 5 H SER 5 13.280 2.383 5.761 32 HA SER 5 HA SER 5 12.563 0.732 3.541 33 HB2 SER 5 HB2 SER 5 11.404 3.102 3.005 34 HB3 SER 5 HB3 SER 5 10.759 1.974 4.201 35 HG SER 5 HG SER 5 11.375 4.408 4.691 36 H ASP 6 H ASP 6 15.244 1.085 3.320 37 HA ASP 6 HA ASP 6 15.742 3.285 1.445 38 HB2 ASP 6 HB2 ASP 6 17.220 2.544 3.503 39 HB3 ASP 6 HB3 ASP 6 17.869 1.392 2.346 40 H PHE 7 H PHE 7 14.341 0.612 1.027 41 HA PHE 7 HA PHE 7 15.897 -0.956 -0.715 42 HB2 PHE 7 HB2 PHE 7 12.940 -0.731 -0.185 43 HB3 PHE 7 HB3 PHE 7 13.593 -1.858 -1.363 44 HD1 PHE 7 HD2 PHE 7 15.290 -3.585 -0.548 45 HD2 PHE 7 HD1 PHE 7 12.859 -1.273 2.069 46 HE1 PHE 7 HE2 PHE 7 15.686 -5.215 1.254 47 HE2 PHE 7 HE1 PHE 7 13.251 -2.895 3.875 48 HZ PHE 7 HZ PHE 7 14.663 -4.872 3.470 49 H LYS 8 H LYS 8 14.711 -1.429 -2.984 50 HA LYS 8 HA LYS 8 15.459 0.588 -4.730 51 HB2 LYS 8 HB2 LYS 8 14.210 -0.646 -6.454 52 HB3 LYS 8 HB3 LYS 8 15.149 -1.736 -5.449 53 HG2 LYS 8 HG2 LYS 8 13.303 -2.689 -4.512 54 HG3 LYS 8 HG3 LYS 8 12.329 -1.229 -4.682 55 HD2 LYS 8 HD2 LYS 8 11.346 -2.316 -6.375 56 HD3 LYS 8 HD3 LYS 8 12.798 -1.904 -7.285 57 HE2 LYS 8 HE2 LYS 8 13.762 -4.037 -6.862 58 HE3 LYS 8 HE3 LYS 8 12.510 -4.436 -5.683 59 HZ1 LYS 8 HZ1 LYS 8 10.871 -4.401 -7.469 60 HZ2 LYS 8 HZ2 LYS 8 12.092 -5.532 -7.798 61 HZ3 LYS 8 HZ3 LYS 8 12.082 -4.038 -8.598 62 H SER 9 H SER 9 12.350 -0.053 -3.259 63 HA SER 9 HA SER 9 11.398 2.591 -3.764 64 HB2 SER 9 HB2 SER 9 10.950 1.504 -5.965 65 HB3 SER 9 HB3 SER 9 9.983 0.280 -5.141 66 HG SER 9 HG SER 9 9.438 2.992 -5.619 67 H PHE 10 H PHE 10 9.159 2.822 -2.839 68 HA PHE 10 HA PHE 10 9.114 1.730 -0.254 69 HB2 PHE 10 HB2 PHE 10 6.882 3.098 -1.768 70 HB3 PHE 10 HB3 PHE 10 6.951 2.859 -0.025 71 HD1 PHE 10 HD2 PHE 10 8.905 3.915 1.237 72 HD2 PHE 10 HD1 PHE 10 7.816 4.993 -2.733 73 HE1 PHE 10 HE2 PHE 10 10.124 6.039 1.484 74 HE2 PHE 10 HE1 PHE 10 9.035 7.116 -2.493 75 HZ PHE 10 HZ PHE 10 10.191 7.639 -0.384 76 H HIS 11 H HIS 11 7.678 0.694 -3.237 77 HA HIS 11 HA HIS 11 5.648 -0.980 -2.202 78 HB2 HIS 11 HB2 HIS 11 7.163 -1.089 -4.816 79 HB3 HIS 11 HB3 HIS 11 5.796 -2.128 -4.440 80 HD1 HIS 11 HD1 HIS 11 6.665 1.416 -5.299 81 HD2 HIS 11 HD2 HIS 11 3.290 -0.922 -4.638 82 HE1 HIS 11 HE1 HIS 11 4.722 2.793 -6.099 83 HE2 HIS 11 HE2 HIS 11 2.731 1.259 -5.915 84 H ASP 12 H ASP 12 9.045 -1.508 -2.937 85 HA ASP 12 HA ASP 12 9.015 -4.325 -2.546 86 HB2 ASP 12 HB2 ASP 12 10.743 -3.049 -3.846 87 HB3 ASP 12 HB3 ASP 12 11.370 -2.445 -2.323 88 H PHE 13 H PHE 13 9.660 -1.538 -0.531 89 HA PHE 13 HA PHE 13 10.453 -2.913 1.798 90 HB2 PHE 13 HB2 PHE 13 10.786 -0.501 1.573 91 HB3 PHE 13 HB3 PHE 13 9.044 -0.245 1.518 92 HD1 PHE 13 HD1 PHE 13 11.688 -1.681 3.712 93 HD2 PHE 13 HD2 PHE 13 7.918 0.272 3.460 94 HE1 PHE 13 HE1 PHE 13 11.653 -1.449 6.158 95 HE2 PHE 13 HE2 PHE 13 7.876 0.509 5.909 96 HZ PHE 13 HZ PHE 13 9.744 -0.352 7.263 97 H VAL 14 H VAL 14 7.291 -1.953 0.546 98 HA VAL 14 HA VAL 14 5.668 -2.748 2.657 99 HB VAL 14 HB VAL 14 5.123 -2.931 -0.312 100 HG11 VAL 14 HG11 VAL 14 3.638 -4.435 0.896 101 HG12 VAL 14 HG12 VAL 14 2.752 -3.036 0.289 102 HG13 VAL 14 HG13 VAL 14 3.190 -3.130 1.994 103 HG21 VAL 14 HG21 VAL 14 5.538 -0.665 0.442 104 HG22 VAL 14 HG22 VAL 14 4.369 -0.861 1.748 105 HG23 VAL 14 HG23 VAL 14 3.827 -0.872 0.069 106 H ALA 15 H ALA 15 6.883 -4.670 -0.075 107 HA ALA 15 HA ALA 15 5.682 -7.102 0.619 108 HB1 ALA 15 HB1 ALA 15 6.732 -6.643 -1.562 109 HB2 ALA 15 HB2 ALA 15 7.301 -8.148 -0.843 110 HB3 ALA 15 HB3 ALA 15 8.318 -6.709 -0.793 111 H SER 16 H SER 16 8.821 -5.749 1.520 112 HA SER 16 HA SER 16 9.803 -7.968 2.931 113 HB2 SER 16 HB2 SER 16 11.196 -6.057 2.198 114 HB3 SER 16 HB3 SER 16 10.402 -5.034 3.392 115 HG SER 16 HG SER 16 11.695 -5.807 4.850 116 H TYR 17 H TYR 17 7.852 -5.201 3.995 117 HA TYR 17 HA TYR 17 7.857 -6.021 6.742 118 HB2 TYR 17 HB2 TYR 17 7.536 -3.658 6.012 119 HB3 TYR 17 HB3 TYR 17 5.975 -4.110 5.336 120 HD1 TYR 17 HD2 TYR 17 7.884 -3.673 8.457 121 HD2 TYR 17 HD1 TYR 17 4.059 -4.424 6.749 122 HE1 TYR 17 HE2 TYR 17 6.832 -3.269 10.643 123 HE2 TYR 17 HE1 TYR 17 3.000 -4.022 8.930 124 HH TYR 17 HH TYR 17 4.581 -2.571 11.507 125 H MET 18 H MET 18 5.829 -6.528 3.952 126 HA MET 18 HA MET 18 3.509 -7.398 5.283 127 HB2 MET 18 HB2 MET 18 3.573 -6.639 2.933 128 HB3 MET 18 HB3 MET 18 4.439 -8.106 2.500 129 HG2 MET 18 HG2 MET 18 2.574 -9.464 2.986 130 HG3 MET 18 HG3 MET 18 1.732 -8.140 3.790 131 HE1 MET 18 HE1 MET 18 0.745 -6.036 2.539 132 HE2 MET 18 HE2 MET 18 0.913 -5.765 0.803 133 HE3 MET 18 HE3 MET 18 2.337 -5.734 1.843 134 H LYS 19 H LYS 19 6.235 -9.240 3.908 135 HA LYS 19 HA LYS 19 5.191 -11.770 4.625 136 HB2 LYS 19 HB2 LYS 19 7.524 -12.591 4.375 137 HB3 LYS 19 HB3 LYS 19 6.959 -11.658 2.996 138 HG2 LYS 19 HG2 LYS 19 8.402 -9.939 3.383 139 HG3 LYS 19 HG3 LYS 19 8.451 -10.227 5.124 140 HD2 LYS 19 HD2 LYS 19 9.695 -12.059 3.079 141 HD3 LYS 19 HD3 LYS 19 10.569 -10.776 3.919 142 HE2 LYS 19 HE2 LYS 19 10.016 -11.817 6.068 143 HE3 LYS 19 HE3 LYS 19 9.159 -13.103 5.223 144 HZ1 LYS 19 HZ1 LYS 19 11.496 -13.612 5.947 145 HZ2 LYS 19 HZ2 LYS 19 12.028 -12.529 4.757 146 HZ3 LYS 19 HZ3 LYS 19 11.152 -13.913 4.313 147 H THR 20 H THR 20 6.699 -9.279 6.440 148 HA THR 20 HA THR 20 7.588 -10.942 8.599 149 HB THR 20 HB THR 20 7.184 -7.945 8.490 150 HG1 THR 20 HG1 THR 20 8.804 -8.529 7.059 151 HG21 THR 20 HG21 THR 20 8.711 -9.636 10.476 152 HG22 THR 20 HG22 THR 20 7.192 -8.796 10.792 153 HG23 THR 20 HG23 THR 20 8.656 -7.873 10.445 154 H TYR 21 H TYR 21 4.862 -8.624 8.206 155 HA TYR 21 HA TYR 21 3.770 -9.460 10.732 156 HB2 TYR 21 HB2 TYR 21 2.295 -7.710 10.556 157 HB3 TYR 21 HB3 TYR 21 3.637 -7.111 9.608 158 HD1 TYR 21 HD2 TYR 21 3.445 -7.016 7.132 159 HD2 TYR 21 HD1 TYR 21 0.155 -8.128 9.586 160 HE1 TYR 21 HE2 TYR 21 1.906 -6.582 5.262 161 HE2 TYR 21 HE1 TYR 21 -1.390 -7.694 7.727 162 HH TYR 21 HH TYR 21 -1.464 -6.379 5.654 163 H SER 22 H SER 22 3.841 -10.897 7.825 164 HA SER 22 HA SER 22 1.282 -11.889 7.361 165 HB2 SER 22 HB2 SER 22 3.145 -12.241 5.811 166 HB3 SER 22 HB3 SER 22 3.954 -13.269 6.989 167 HG SER 22 HG SER 22 1.452 -14.153 6.573 168 H ARG 23 H ARG 23 3.566 -12.643 9.861 169 HA ARG 23 HA ARG 23 2.460 -15.113 10.689 170 HB2 ARG 23 HB2 ARG 23 4.018 -13.036 12.228 171 HB3 ARG 23 HB3 ARG 23 3.632 -14.638 12.830 172 HG2 ARG 23 HG2 ARG 23 4.878 -15.592 10.892 173 HG3 ARG 23 HG3 ARG 23 5.381 -13.949 10.483 174 HD2 ARG 23 HD2 ARG 23 5.935 -15.370 13.086 175 HD3 ARG 23 HD3 ARG 23 7.093 -15.134 11.779 176 HE ARG 23 HE ARG 23 7.038 -12.771 12.237 177 HH11 ARG 23 HH11 ARG 23 5.446 -14.796 14.624 178 HH12 ARG 23 HH12 ARG 23 5.667 -13.650 15.919 179 HH21 ARG 23 HH21 ARG 23 7.325 -11.271 13.934 180 HH22 ARG 23 HH22 ARG 23 6.711 -11.640 15.520 181 H ARG 24 H ARG 24 1.423 -11.879 11.001 182 HA ARG 24 HA ARG 24 -0.533 -12.613 13.078 183 HB2 ARG 24 HB2 ARG 24 0.232 -9.846 12.132 184 HB3 ARG 24 HB3 ARG 24 -0.780 -10.247 13.512 185 HG2 ARG 24 HG2 ARG 24 1.129 -11.241 14.644 186 HG3 ARG 24 HG3 ARG 24 2.150 -10.885 13.249 187 HD2 ARG 24 HD2 ARG 24 1.556 -8.462 13.567 188 HD3 ARG 24 HD3 ARG 24 0.791 -8.923 15.087 189 HE ARG 24 HE ARG 24 3.195 -9.925 15.491 190 HH11 ARG 24 HH11 ARG 24 2.273 -6.825 14.142 191 HH12 ARG 24 HH12 ARG 24 3.768 -6.048 14.571 192 HH21 ARG 24 HH21 ARG 24 5.153 -8.899 16.085 193 HH22 ARG 24 HH22 ARG 24 5.388 -7.214 15.716 194 H LEU 25 H LEU 25 -0.436 -12.927 9.980 195 HA LEU 25 HA LEU 25 -3.081 -11.737 9.486 196 HB2 LEU 25 HB2 LEU 25 -1.073 -10.628 8.306 197 HB3 LEU 25 HB3 LEU 25 -1.004 -12.084 7.339 198 HG LEU 25 HG LEU 25 -3.333 -11.651 6.594 199 HD11 LEU 25 HD11 LEU 25 -4.073 -10.314 8.495 200 HD12 LEU 25 HD12 LEU 25 -4.295 -9.438 6.981 201 HD13 LEU 25 HD13 LEU 25 -2.948 -9.033 8.044 202 HD21 LEU 25 HD21 LEU 25 -1.435 -10.975 5.229 203 HD22 LEU 25 HD22 LEU 25 -1.348 -9.437 6.087 204 HD23 LEU 25 HD23 LEU 25 -2.752 -9.810 5.085 205 H GLU 26 H GLU 26 -4.555 -13.043 8.521 206 HA GLU 26 HA GLU 26 -4.207 -15.812 8.351 207 HB2 GLU 26 HB2 GLU 26 -6.302 -14.086 8.247 208 HB3 GLU 26 HB3 GLU 26 -6.202 -14.574 6.567 209 HG2 GLU 26 HG2 GLU 26 -6.394 -16.492 8.869 210 HG3 GLU 26 HG3 GLU 26 -7.769 -15.883 7.957 211 H ILE 27 H ILE 27 -4.085 -17.158 6.503 212 HA ILE 27 HA ILE 27 -2.108 -16.302 4.642 213 HB ILE 27 HB ILE 27 -3.817 -18.798 4.588 214 HG12 ILE 27 HG12 ILE 27 -1.012 -18.329 5.618 215 HG13 ILE 27 HG13 ILE 27 -2.439 -18.604 6.611 216 HG21 ILE 27 HG21 ILE 27 -1.259 -18.187 3.111 217 HG22 ILE 27 HG22 ILE 27 -2.866 -18.266 2.392 218 HG23 ILE 27 HG23 ILE 27 -2.138 -19.716 3.082 219 HD11 ILE 27 HD11 ILE 27 -1.256 -20.574 4.666 220 HD12 ILE 27 HD12 ILE 27 -2.652 -20.848 5.709 221 HD13 ILE 27 HD13 ILE 27 -1.056 -20.601 6.418 222 H GLY 28 H GLY 28 -5.589 -16.865 4.436 223 HA2 GLY 28 HA2 GLY 28 -5.882 -16.657 1.663 224 HA3 GLY 28 HA3 GLY 28 -7.133 -16.298 2.841 225 H THR 29 H THR 29 -5.928 -14.104 4.128 226 HA THR 29 HA THR 29 -6.517 -12.091 2.175 227 HB THR 29 HB THR 29 -7.354 -11.761 4.406 228 HG1 THR 29 HG1 THR 29 -6.994 -9.809 3.528 229 HG21 THR 29 HG21 THR 29 -5.888 -11.321 6.315 230 HG22 THR 29 HG22 THR 29 -4.484 -11.700 5.317 231 HG23 THR 29 HG23 THR 29 -5.669 -12.952 5.684 232 H PHE 30 H PHE 30 -3.589 -13.104 3.962 233 HA PHE 30 HA PHE 30 -1.784 -11.266 2.915 234 HB2 PHE 30 HB2 PHE 30 -1.155 -12.855 4.656 235 HB3 PHE 30 HB3 PHE 30 -1.367 -14.198 3.541 236 HD1 PHE 30 HD2 PHE 30 0.630 -11.099 4.031 237 HD2 PHE 30 HD1 PHE 30 0.431 -14.993 2.324 238 HE1 PHE 30 HE2 PHE 30 2.991 -10.928 3.370 239 HE2 PHE 30 HE1 PHE 30 2.794 -14.824 1.662 240 HZ PHE 30 HZ PHE 30 4.077 -12.789 2.183 241 H ARG 31 H ARG 31 -2.659 -14.453 1.639 242 HA ARG 31 HA ARG 31 -1.233 -14.455 -0.739 243 HB2 ARG 31 HB2 ARG 31 -2.668 -16.278 0.397 244 HB3 ARG 31 HB3 ARG 31 -4.011 -15.576 -0.490 245 HG2 ARG 31 HG2 ARG 31 -2.761 -15.988 -2.590 246 HG3 ARG 31 HG3 ARG 31 -1.528 -16.819 -1.638 247 HD2 ARG 31 HD2 ARG 31 -2.888 -18.598 -1.163 248 HD3 ARG 31 HD3 ARG 31 -4.366 -17.642 -1.291 249 HE ARG 31 HE ARG 31 -2.815 -18.752 -3.535 250 HH11 ARG 31 HH11 ARG 31 -5.740 -17.318 -2.249 251 HH12 ARG 31 HH12 ARG 31 -6.640 -17.512 -3.725 252 HH21 ARG 31 HH21 ARG 31 -4.001 -19.004 -5.486 253 HH22 ARG 31 HH22 ARG 31 -5.647 -18.455 -5.561 254 H HIS 32 H HIS 32 -4.229 -12.888 0.081 255 HA HIS 32 HA HIS 32 -5.223 -12.556 -2.544 256 HB2 HIS 32 HB2 HIS 32 -6.562 -12.539 -0.418 257 HB3 HIS 32 HB3 HIS 32 -5.922 -10.934 -0.091 258 HD1 HIS 32 HD1 HIS 32 -7.648 -9.265 -0.580 259 HD2 HIS 32 HD2 HIS 32 -7.736 -12.406 -3.301 260 HE1 HIS 32 HE1 HIS 32 -9.474 -8.697 -2.215 261 HE2 HIS 32 HE2 HIS 32 -9.350 -10.503 -3.971 262 H HIS 33 H HIS 33 -2.764 -10.864 -0.844 263 HA HIS 33 HA HIS 33 -2.723 -8.855 -2.965 264 HB2 HIS 33 HB2 HIS 33 -2.434 -6.995 -1.364 265 HB3 HIS 33 HB3 HIS 33 -4.018 -7.747 -1.244 266 HD1 HIS 33 HD1 HIS 33 -0.649 -8.076 0.537 267 HD2 HIS 33 HD2 HIS 33 -4.732 -8.172 1.324 268 HE1 HIS 33 HE1 HIS 33 -0.854 -8.346 3.029 269 HE2 HIS 33 HE2 HIS 33 -3.320 -8.149 3.493 270 H LYS 34 H LYS 34 -0.984 -11.138 -2.205 271 HA LYS 34 HA LYS 34 1.412 -9.824 -1.239 272 HB2 LYS 34 HB2 LYS 34 2.381 -12.052 -1.241 273 HB3 LYS 34 HB3 LYS 34 0.858 -12.030 -0.386 274 HG2 LYS 34 HG2 LYS 34 -0.255 -13.092 -2.220 275 HG3 LYS 34 HG3 LYS 34 1.201 -12.988 -3.213 276 HD2 LYS 34 HD2 LYS 34 0.913 -14.563 -0.653 277 HD3 LYS 34 HD3 LYS 34 0.909 -15.235 -2.284 278 HE2 LYS 34 HE2 LYS 34 3.193 -14.385 -2.620 279 HE3 LYS 34 HE3 LYS 34 3.191 -13.761 -0.973 280 HZ1 LYS 34 HZ1 LYS 34 2.912 -16.627 -1.715 281 HZ2 LYS 34 HZ2 LYS 34 2.981 -16.009 -0.137 282 HZ3 LYS 34 HZ3 LYS 34 4.335 -15.894 -1.150 283 H SER 35 H SER 35 0.104 -11.097 -4.206 284 HA SER 35 HA SER 35 2.620 -11.124 -5.600 285 HB2 SER 35 HB2 SER 35 -0.107 -11.286 -6.870 286 HB3 SER 35 HB3 SER 35 1.404 -11.991 -7.438 287 HG SER 35 HG SER 35 -0.399 -13.214 -6.076 288 H CYS 36 H CYS 36 0.208 -8.785 -4.990 289 HA CYS 36 HA CYS 36 -0.050 -7.382 -7.335 290 HB2 CYS 36 HB2 CYS 36 -0.004 -6.255 -4.534 291 HB3 CYS 36 HB3 CYS 36 -0.714 -5.476 -5.944 292 HG CYS 36 HG CYS 36 -3.034 -6.342 -5.256 293 H MET 37 H MET 37 2.175 -6.455 -4.693 294 HA MET 37 HA MET 37 3.325 -4.313 -6.094 295 HB2 MET 37 HB2 MET 37 4.545 -5.926 -3.849 296 HB3 MET 37 HB3 MET 37 5.071 -4.336 -4.374 297 HG2 MET 37 HG2 MET 37 3.800 -3.960 -2.452 298 HG3 MET 37 HG3 MET 37 2.740 -3.531 -3.791 299 HE1 MET 37 HE1 MET 37 2.414 -7.407 -1.311 300 HE2 MET 37 HE2 MET 37 3.512 -6.080 -0.930 301 HE3 MET 37 HE3 MET 37 3.776 -7.057 -2.375 302 H ARG 38 H ARG 38 4.185 -7.706 -5.952 303 HA ARG 38 HA ARG 38 6.810 -7.410 -6.982 304 HB2 ARG 38 HB2 ARG 38 5.658 -9.392 -5.696 305 HB3 ARG 38 HB3 ARG 38 5.259 -9.937 -7.316 306 HG2 ARG 38 HG2 ARG 38 7.257 -11.030 -6.795 307 HG3 ARG 38 HG3 ARG 38 7.732 -9.692 -7.843 308 HD2 ARG 38 HD2 ARG 38 7.870 -9.681 -4.828 309 HD3 ARG 38 HD3 ARG 38 9.232 -9.973 -5.903 310 HE ARG 38 HE ARG 38 8.156 -7.521 -6.630 311 HH11 ARG 38 HH11 ARG 38 9.655 -8.948 -3.809 312 HH12 ARG 38 HH12 ARG 38 10.343 -7.447 -3.265 313 HH21 ARG 38 HH21 ARG 38 9.045 -5.522 -5.881 314 HH22 ARG 38 HH22 ARG 38 10.005 -5.527 -4.428 315 H LYS 39 H LYS 39 3.718 -8.354 -8.445 316 HA LYS 39 HA LYS 39 4.801 -8.876 -11.008 317 HB2 LYS 39 HB2 LYS 39 2.748 -9.907 -10.342 318 HB3 LYS 39 HB3 LYS 39 1.993 -8.357 -10.029 319 HG2 LYS 39 HG2 LYS 39 2.947 -8.928 -12.782 320 HG3 LYS 39 HG3 LYS 39 1.484 -9.733 -12.212 321 HD2 LYS 39 HD2 LYS 39 1.905 -6.758 -12.028 322 HD3 LYS 39 HD3 LYS 39 1.146 -7.538 -13.409 323 HE2 LYS 39 HE2 LYS 39 0.180 -7.867 -10.581 324 HE3 LYS 39 HE3 LYS 39 -0.431 -6.632 -11.677 325 HZ1 LYS 39 HZ1 LYS 39 -1.127 -8.387 -13.199 326 HZ2 LYS 39 HZ2 LYS 39 -1.857 -8.570 -11.678 327 HZ3 LYS 39 HZ3 LYS 39 -0.559 -9.569 -12.119 328 H PHE 40 H PHE 40 3.595 -6.029 -9.423 329 HA PHE 40 HA PHE 40 3.220 -4.386 -11.677 330 HB2 PHE 40 HB2 PHE 40 2.341 -3.806 -9.468 331 HB3 PHE 40 HB3 PHE 40 3.975 -3.660 -8.835 332 HD1 PHE 40 HD1 PHE 40 1.596 -2.191 -11.268 333 HD2 PHE 40 HD2 PHE 40 5.136 -1.637 -8.971 334 HE1 PHE 40 HE1 PHE 40 1.603 0.197 -11.860 335 HE2 PHE 40 HE2 PHE 40 5.148 0.752 -9.558 336 HZ PHE 40 HZ PHE 40 3.380 1.671 -11.005 337 H LYS 41 H LYS 41 6.042 -5.406 -9.939 338 HA LYS 41 HA LYS 41 8.239 -4.835 -9.961 339 HB2 LYS 41 HB2 LYS 41 7.612 -4.263 -12.863 340 HB3 LYS 41 HB3 LYS 41 9.233 -4.376 -12.193 341 HG2 LYS 41 HG2 LYS 41 8.688 -6.721 -11.501 342 HG3 LYS 41 HG3 LYS 41 7.185 -6.567 -12.413 343 HD2 LYS 41 HD2 LYS 41 8.864 -7.662 -13.775 344 HD3 LYS 41 HD3 LYS 41 8.503 -6.067 -14.442 345 HE2 LYS 41 HE2 LYS 41 10.495 -5.177 -13.287 346 HE3 LYS 41 HE3 LYS 41 10.871 -6.804 -12.724 347 HZ1 LYS 41 HZ1 LYS 41 11.117 -7.511 -15.015 348 HZ2 LYS 41 HZ2 LYS 41 12.147 -6.204 -14.690 349 HZ3 LYS 41 HZ3 LYS 41 10.718 -5.959 -15.571 350 H GLU 42 H GLU 42 8.321 -3.133 -8.592 351 HA GLU 42 HA GLU 42 7.255 -0.592 -9.334 352 HB2 GLU 42 HB2 GLU 42 8.039 0.135 -7.102 353 HB3 GLU 42 HB3 GLU 42 7.006 -1.280 -7.064 354 HG2 GLU 42 HG2 GLU 42 9.994 -1.508 -6.993 355 HG3 GLU 42 HG3 GLU 42 9.044 -1.233 -5.535 356 H TYR 43 H TYR 43 8.264 0.625 -10.743 357 HA TYR 43 HA TYR 43 11.108 1.225 -10.296 358 HB2 TYR 43 HB2 TYR 43 9.338 1.838 -12.679 359 HB3 TYR 43 HB3 TYR 43 11.034 2.289 -12.539 360 HD1 TYR 43 HD2 TYR 43 12.768 0.454 -12.396 361 HD2 TYR 43 HD1 TYR 43 8.712 -0.306 -13.435 362 HE1 TYR 43 HE2 TYR 43 13.425 -1.715 -13.354 363 HE2 TYR 43 HE1 TYR 43 9.358 -2.478 -14.392 364 HH TYR 43 HH TYR 43 12.378 -3.904 -13.847 365 H CYS 44 H CYS 44 8.504 2.081 -8.973 366 HA CYS 44 HA CYS 44 8.026 4.811 -9.411 367 HB2 CYS 44 HB2 CYS 44 6.448 3.346 -8.252 368 HB3 CYS 44 HB3 CYS 44 7.601 3.105 -6.947 369 HG CYS 44 HG CYS 44 6.976 6.333 -7.337 370 H GLU 45 H GLU 45 9.502 6.340 -9.221 371 HA GLU 45 HA GLU 45 11.252 6.382 -6.864 372 HB2 GLU 45 HB2 GLU 45 12.525 5.414 -8.744 373 HB3 GLU 45 HB3 GLU 45 12.148 6.825 -9.721 374 HG2 GLU 45 HG2 GLU 45 13.389 8.230 -8.122 375 HG3 GLU 45 HG3 GLU 45 13.817 6.777 -7.218 376 H GLY 46 H GLY 46 11.526 8.373 -5.994 377 HA2 GLY 46 HA2 GLY 46 11.801 10.756 -6.213 378 HA3 GLY 46 HA3 GLY 46 10.729 10.714 -7.604 379 H LEU 47 H LEU 47 9.635 8.756 -5.117 380 HA LEU 47 HA LEU 47 7.459 10.581 -4.555 381 HB2 LEU 47 HB2 LEU 47 7.565 7.902 -4.882 382 HB3 LEU 47 HB3 LEU 47 7.692 7.985 -3.139 383 HG LEU 47 HG LEU 47 5.439 9.191 -4.748 384 HD11 LEU 47 HD11 LEU 47 4.105 7.327 -3.932 385 HD12 LEU 47 HD12 LEU 47 5.522 6.643 -3.138 386 HD13 LEU 47 HD13 LEU 47 5.461 6.749 -4.897 387 HD21 LEU 47 HD21 LEU 47 5.796 10.321 -2.626 388 HD22 LEU 47 HD22 LEU 47 5.778 8.772 -1.780 389 HD23 LEU 47 HD23 LEU 47 4.318 9.360 -2.576 390 H GLN 48 H GLN 48 7.805 12.097 -3.037 391 HA GLN 48 HA GLN 48 9.641 11.640 -0.860 392 HB2 GLN 48 HB2 GLN 48 8.182 13.958 -1.946 393 HB3 GLN 48 HB3 GLN 48 8.466 13.988 -0.214 394 HG2 GLN 48 HG2 GLN 48 10.194 15.099 -1.714 395 HG3 GLN 48 HG3 GLN 48 10.783 13.998 -0.470 396 HE21 GLN 48 HE21 GLN 48 10.192 14.421 -3.870 397 HE22 GLN 48 HE22 GLN 48 11.213 13.134 -4.413 398 H PHE 49 H PHE 49 8.519 12.836 1.311 399 HA PHE 49 HA PHE 49 6.789 10.721 2.203 400 HB2 PHE 49 HB2 PHE 49 7.754 13.186 3.672 401 HB3 PHE 49 HB3 PHE 49 6.920 11.824 4.403 402 HD1 PHE 49 HD2 PHE 49 8.022 9.632 4.555 403 HD2 PHE 49 HD1 PHE 49 10.079 13.086 3.162 404 HE1 PHE 49 HE2 PHE 49 10.171 8.498 4.930 405 HE2 PHE 49 HE1 PHE 49 12.236 11.959 3.532 406 HZ PHE 49 HZ PHE 49 12.284 9.659 4.417 407 H HIS 50 H HIS 50 6.488 14.242 1.786 408 HA HIS 50 HA HIS 50 3.682 14.148 2.488 409 HB2 HIS 50 HB2 HIS 50 5.170 16.109 3.022 410 HB3 HIS 50 HB3 HIS 50 5.193 16.484 1.302 411 HD1 HIS 50 HD1 HIS 50 3.212 17.758 0.362 412 HD2 HIS 50 HD2 HIS 50 2.589 16.425 4.256 413 HE1 HIS 50 HE1 HIS 50 1.083 18.857 1.125 414 HE2 HIS 50 HE2 HIS 50 0.617 17.869 3.396 415 H GLU 51 H GLU 51 5.262 13.180 -0.188 416 HA GLU 51 HA GLU 51 3.331 14.165 -2.111 417 HB2 GLU 51 HB2 GLU 51 5.546 12.124 -2.393 418 HB3 GLU 51 HB3 GLU 51 4.526 12.682 -3.712 419 HG2 GLU 51 HG2 GLU 51 6.511 14.282 -2.125 420 HG3 GLU 51 HG3 GLU 51 6.584 13.851 -3.833 421 H LEU 52 H LEU 52 3.623 11.662 0.130 422 HA LEU 52 HA LEU 52 1.708 9.921 -1.179 423 HB2 LEU 52 HB2 LEU 52 3.706 9.371 0.515 424 HB3 LEU 52 HB3 LEU 52 2.432 9.609 1.693 425 HG LEU 52 HG LEU 52 2.711 7.250 1.146 426 HD11 LEU 52 HD11 LEU 52 0.127 8.345 0.065 427 HD12 LEU 52 HD12 LEU 52 0.484 8.026 1.762 428 HD13 LEU 52 HD13 LEU 52 0.409 6.692 0.611 429 HD21 LEU 52 HD21 LEU 52 3.559 7.489 -1.124 430 HD22 LEU 52 HD22 LEU 52 1.976 8.047 -1.663 431 HD23 LEU 52 HD23 LEU 52 2.177 6.396 -1.077 432 H THR 53 H THR 53 -0.000 11.413 -1.384 433 HA THR 53 HA THR 53 -1.294 12.209 1.143 434 HB THR 53 HB THR 53 -2.266 14.121 -0.186 435 HG1 THR 53 HG1 THR 53 -0.212 14.141 -2.001 436 HG21 THR 53 HG21 THR 53 0.739 14.068 0.108 437 HG22 THR 53 HG22 THR 53 -0.419 14.458 1.380 438 HG23 THR 53 HG23 THR 53 -0.264 15.513 -0.025 439 H GLU 54 H GLU 54 -3.661 12.915 0.629 440 HA GLU 54 HA GLU 54 -5.178 10.713 -0.113 441 HB2 GLU 54 HB2 GLU 54 -5.908 13.648 -0.107 442 HB3 GLU 54 HB3 GLU 54 -7.058 12.339 -0.262 443 HG2 GLU 54 HG2 GLU 54 -7.196 12.955 1.958 444 HG3 GLU 54 HG3 GLU 54 -6.193 11.510 1.969 445 H ASP 55 H ASP 55 -3.993 13.413 -2.006 446 HA ASP 55 HA ASP 55 -5.557 12.937 -4.321 447 HB2 ASP 55 HB2 ASP 55 -4.470 15.101 -3.914 448 HB3 ASP 55 HB3 ASP 55 -2.888 14.340 -4.061 449 H PHE 56 H PHE 56 -2.344 11.895 -3.288 450 HA PHE 56 HA PHE 56 -1.614 10.605 -5.686 451 HB2 PHE 56 HB2 PHE 56 0.005 11.139 -3.898 452 HB3 PHE 56 HB3 PHE 56 -0.757 9.939 -2.858 453 HD1 PHE 56 HD1 PHE 56 1.238 10.426 -5.912 454 HD2 PHE 56 HD2 PHE 56 -0.298 7.614 -3.110 455 HE1 PHE 56 HE1 PHE 56 2.697 8.689 -6.863 456 HE2 PHE 56 HE2 PHE 56 1.160 5.873 -4.055 457 HZ PHE 56 HZ PHE 56 2.657 6.409 -5.935 458 H LEU 57 H LEU 57 -3.164 9.382 -2.723 459 HA LEU 57 HA LEU 57 -3.441 6.722 -3.484 460 HB2 LEU 57 HB2 LEU 57 -4.934 8.530 -1.641 461 HB3 LEU 57 HB3 LEU 57 -5.617 6.961 -2.010 462 HG LEU 57 HG LEU 57 -4.309 7.012 0.094 463 HD11 LEU 57 HD11 LEU 57 -3.042 4.965 -0.336 464 HD12 LEU 57 HD12 LEU 57 -3.204 5.235 -2.072 465 HD13 LEU 57 HD13 LEU 57 -4.635 4.919 -1.091 466 HD21 LEU 57 HD21 LEU 57 -1.878 7.090 -0.000 467 HD22 LEU 57 HD22 LEU 57 -2.585 8.602 -0.568 468 HD23 LEU 57 HD23 LEU 57 -1.949 7.436 -1.728 469 H ARG 58 H ARG 58 -5.560 9.486 -4.098 470 HA ARG 58 HA ARG 58 -7.635 8.038 -5.352 471 HB2 ARG 58 HB2 ARG 58 -7.819 10.359 -4.450 472 HB3 ARG 58 HB3 ARG 58 -6.853 10.923 -5.807 473 HG2 ARG 58 HG2 ARG 58 -8.582 10.120 -7.350 474 HG3 ARG 58 HG3 ARG 58 -9.556 9.608 -5.967 475 HD2 ARG 58 HD2 ARG 58 -9.500 11.954 -5.146 476 HD3 ARG 58 HD3 ARG 58 -8.686 12.413 -6.640 477 HE ARG 58 HE ARG 58 -11.244 11.055 -6.913 478 HH11 ARG 58 HH11 ARG 58 -9.432 14.044 -6.966 479 HH12 ARG 58 HH12 ARG 58 -10.711 14.959 -7.708 480 HH21 ARG 58 HH21 ARG 58 -12.943 12.244 -7.891 481 HH22 ARG 58 HH22 ARG 58 -12.715 13.936 -8.221 482 H ASP 59 H ASP 59 -4.916 9.888 -6.700 483 HA ASP 59 HA ASP 59 -5.507 9.403 -9.410 484 HB2 ASP 59 HB2 ASP 59 -4.007 11.195 -8.740 485 HB3 ASP 59 HB3 ASP 59 -2.866 10.031 -8.074 486 H TYR 60 H TYR 60 -3.428 7.699 -7.122 487 HA TYR 60 HA TYR 60 -2.358 5.862 -9.002 488 HB2 TYR 60 HB2 TYR 60 -1.452 6.523 -6.689 489 HB3 TYR 60 HB3 TYR 60 -2.608 5.368 -6.040 490 HD1 TYR 60 HD1 TYR 60 -0.945 4.706 -9.239 491 HD2 TYR 60 HD2 TYR 60 -0.833 4.054 -5.034 492 HE1 TYR 60 HE1 TYR 60 0.714 2.917 -9.564 493 HE2 TYR 60 HE2 TYR 60 0.819 2.263 -5.348 494 HH TYR 60 HH TYR 60 2.281 1.644 -8.476 495 H LEU 61 H LEU 61 -5.150 5.836 -6.867 496 HA LEU 61 HA LEU 61 -6.004 3.193 -7.218 497 HB2 LEU 61 HB2 LEU 61 -7.016 4.637 -5.580 498 HB3 LEU 61 HB3 LEU 61 -7.556 5.750 -6.820 499 HG LEU 61 HG LEU 61 -9.058 3.945 -7.690 500 HD11 LEU 61 HD11 LEU 61 -9.556 2.052 -6.244 501 HD12 LEU 61 HD12 LEU 61 -8.289 2.559 -5.129 502 HD13 LEU 61 HD13 LEU 61 -7.868 2.028 -6.756 503 HD21 LEU 61 HD21 LEU 61 -10.726 4.222 -5.930 504 HD22 LEU 61 HD22 LEU 61 -9.880 5.736 -6.247 505 HD23 LEU 61 HD23 LEU 61 -9.472 4.780 -4.821 506 H ILE 62 H ILE 62 -6.852 6.125 -9.009 507 HA ILE 62 HA ILE 62 -8.471 4.937 -10.953 508 HB ILE 62 HB ILE 62 -6.731 7.397 -11.235 509 HG12 ILE 62 HG12 ILE 62 -9.653 7.115 -10.484 510 HG13 ILE 62 HG13 ILE 62 -8.350 7.490 -9.362 511 HG21 ILE 62 HG21 ILE 62 -7.429 6.517 -13.405 512 HG22 ILE 62 HG22 ILE 62 -8.259 8.031 -13.043 513 HG23 ILE 62 HG23 ILE 62 -9.110 6.495 -12.864 514 HD11 ILE 62 HD11 ILE 62 -9.580 9.485 -9.966 515 HD12 ILE 62 HD12 ILE 62 -9.246 9.198 -11.673 516 HD13 ILE 62 HD13 ILE 62 -7.925 9.576 -10.566 517 H TYR 63 H TYR 63 -4.979 5.593 -10.981 518 HA TYR 63 HA TYR 63 -4.473 4.695 -13.602 519 HB2 TYR 63 HB2 TYR 63 -2.924 6.039 -12.129 520 HB3 TYR 63 HB3 TYR 63 -2.560 4.551 -11.264 521 HD1 TYR 63 HD1 TYR 63 -2.241 6.303 -14.488 522 HD2 TYR 63 HD2 TYR 63 -1.061 2.922 -12.186 523 HE1 TYR 63 HE1 TYR 63 -0.470 5.815 -16.120 524 HE2 TYR 63 HE2 TYR 63 0.715 2.425 -13.817 525 HH TYR 63 HH TYR 63 1.696 4.650 -16.190 526 H MET 64 H MET 64 -4.508 3.018 -10.508 527 HA MET 64 HA MET 64 -3.530 0.509 -11.337 528 HB2 MET 64 HB2 MET 64 -3.970 1.472 -8.969 529 HB3 MET 64 HB3 MET 64 -5.612 0.894 -9.195 530 HG2 MET 64 HG2 MET 64 -4.834 -0.951 -8.215 531 HG3 MET 64 HG3 MET 64 -4.221 -1.325 -9.827 532 HE1 MET 64 HE1 MET 64 -3.317 0.340 -6.356 533 HE2 MET 64 HE2 MET 64 -2.910 1.559 -7.564 534 HE3 MET 64 HE3 MET 64 -1.631 0.775 -6.639 535 H LYS 65 H LYS 65 -6.804 1.798 -11.089 536 HA LYS 65 HA LYS 65 -8.063 -0.635 -11.925 537 HB2 LYS 65 HB2 LYS 65 -9.114 0.942 -10.365 538 HB3 LYS 65 HB3 LYS 65 -9.144 2.172 -11.615 539 HG2 LYS 65 HG2 LYS 65 -10.485 -0.322 -12.347 540 HG3 LYS 65 HG3 LYS 65 -11.208 0.534 -10.985 541 HD2 LYS 65 HD2 LYS 65 -11.119 2.614 -12.427 542 HD3 LYS 65 HD3 LYS 65 -10.735 1.545 -13.778 543 HE2 LYS 65 HE2 LYS 65 -12.807 0.331 -13.439 544 HE3 LYS 65 HE3 LYS 65 -13.179 1.325 -12.031 545 HZ1 LYS 65 HZ1 LYS 65 -14.404 2.167 -13.859 546 HZ2 LYS 65 HZ2 LYS 65 -13.035 2.208 -14.859 547 HZ3 LYS 65 HZ3 LYS 65 -13.158 3.277 -13.550 548 H LYS 66 H LYS 66 -7.009 2.311 -13.483 549 HA LYS 66 HA LYS 66 -8.500 1.852 -15.903 550 HB2 LYS 66 HB2 LYS 66 -8.029 4.125 -15.166 551 HB3 LYS 66 HB3 LYS 66 -6.303 3.813 -15.227 552 HG2 LYS 66 HG2 LYS 66 -6.839 5.075 -17.141 553 HG3 LYS 66 HG3 LYS 66 -6.558 3.424 -17.689 554 HD2 LYS 66 HD2 LYS 66 -8.968 3.031 -17.761 555 HD3 LYS 66 HD3 LYS 66 -9.256 4.679 -17.197 556 HE2 LYS 66 HE2 LYS 66 -8.045 5.506 -19.203 557 HE3 LYS 66 HE3 LYS 66 -7.953 3.845 -19.781 558 HZ1 LYS 66 HZ1 LYS 66 -9.796 4.989 -20.793 559 HZ2 LYS 66 HZ2 LYS 66 -10.439 5.384 -19.278 560 HZ3 LYS 66 HZ3 LYS 66 -10.382 3.763 -19.775 561 H THR 67 H THR 67 -4.984 2.077 -15.273 562 HA THR 67 HA THR 67 -4.426 0.979 -17.872 563 HB THR 67 HB THR 67 -2.502 1.658 -15.641 564 HG1 THR 67 HG1 THR 67 -3.757 3.185 -17.665 565 HG21 THR 67 HG21 THR 67 -2.049 1.342 -18.614 566 HG22 THR 67 HG22 THR 67 -1.547 0.192 -17.374 567 HG23 THR 67 HG23 THR 67 -0.836 1.808 -17.424 568 H LEU 68 H LEU 68 -3.950 -0.084 -14.513 569 HA LEU 68 HA LEU 68 -2.649 -2.508 -15.307 570 HB2 LEU 68 HB2 LEU 68 -3.745 -1.587 -12.656 571 HB3 LEU 68 HB3 LEU 68 -2.895 -3.103 -12.875 572 HG LEU 68 HG LEU 68 -1.749 -0.346 -13.327 573 HD11 LEU 68 HD11 LEU 68 -2.029 -0.844 -10.983 574 HD12 LEU 68 HD12 LEU 68 -0.319 -0.921 -11.412 575 HD13 LEU 68 HD13 LEU 68 -1.243 -2.408 -11.192 576 HD21 LEU 68 HD21 LEU 68 -0.442 -3.055 -13.557 577 HD22 LEU 68 HD22 LEU 68 0.378 -1.498 -13.676 578 HD23 LEU 68 HD23 LEU 68 -0.811 -1.964 -14.892 579 H CYS 69 H CYS 69 -5.881 -1.534 -15.084 580 HA CYS 69 HA CYS 69 -7.810 -2.582 -15.656 581 HB2 CYS 69 HB2 CYS 69 -6.335 -3.707 -17.357 582 HB3 CYS 69 HB3 CYS 69 -6.131 -5.032 -16.222 583 HG CYS 69 HG CYS 69 -8.356 -6.262 -16.688 584 H ASN 70 H ASN 70 -6.440 -2.826 -12.953 585 HA ASN 70 HA ASN 70 -7.569 -5.249 -11.863 586 HB2 ASN 70 HB2 ASN 70 -6.258 -2.864 -10.555 587 HB3 ASN 70 HB3 ASN 70 -6.913 -4.222 -9.647 588 HD21 ASN 70 HD21 ASN 70 -4.995 -4.901 -8.819 589 HD22 ASN 70 HD22 ASN 70 -3.736 -5.598 -9.777 590 H ALA 71 H ALA 71 -9.326 -5.375 -10.451 591 HA ALA 71 HA ALA 71 -11.470 -3.601 -11.018 592 HB1 ALA 71 HB1 ALA 71 -12.744 -4.925 -9.417 593 HB2 ALA 71 HB2 ALA 71 -11.263 -5.706 -8.866 594 HB3 ALA 71 HB3 ALA 71 -11.839 -5.967 -10.513 595 H ASP 72 H ASP 72 -12.708 -2.434 -9.377 596 HA ASP 72 HA ASP 72 -11.261 -0.450 -8.120 597 HB2 ASP 72 HB2 ASP 72 -14.005 -1.445 -7.316 598 HB3 ASP 72 HB3 ASP 72 -13.332 0.144 -6.967 599 H SER 73 H SER 73 -12.804 -3.263 -6.598 600 HA SER 73 HA SER 73 -11.862 -2.771 -4.000 601 HB2 SER 73 HB2 SER 73 -12.592 -5.454 -5.194 602 HB3 SER 73 HB3 SER 73 -12.642 -4.994 -3.490 603 HG SER 73 HG SER 73 -14.569 -4.761 -5.287 604 H THR 74 H THR 74 -10.475 -4.534 -6.710 605 HA THR 74 HA THR 74 -8.361 -5.763 -5.279 606 HB THR 74 HB THR 74 -8.295 -4.989 -8.199 607 HG1 THR 74 HG1 THR 74 -9.322 -7.060 -8.524 608 HG21 THR 74 HG21 THR 74 -6.948 -7.037 -8.405 609 HG22 THR 74 HG22 THR 74 -7.072 -7.288 -6.662 610 HG23 THR 74 HG23 THR 74 -6.209 -5.885 -7.294 611 H ALA 75 H ALA 75 -8.688 -2.700 -7.004 612 HA ALA 75 HA ALA 75 -5.992 -1.873 -6.718 613 HB1 ALA 75 HB1 ALA 75 -6.794 0.334 -7.323 614 HB2 ALA 75 HB2 ALA 75 -8.458 -0.165 -7.015 615 HB3 ALA 75 HB3 ALA 75 -7.553 -0.887 -8.346 616 H GLN 76 H GLN 76 -8.850 -1.581 -4.698 617 HA GLN 76 HA GLN 76 -7.837 0.118 -2.720 618 HB2 GLN 76 HB2 GLN 76 -9.900 -2.077 -2.703 619 HB3 GLN 76 HB3 GLN 76 -9.530 -1.138 -1.275 620 HG2 GLN 76 HG2 GLN 76 -10.384 0.111 -3.863 621 HG3 GLN 76 HG3 GLN 76 -11.521 -0.389 -2.613 622 HE21 GLN 76 HE21 GLN 76 -9.052 1.878 -3.501 623 HE22 GLN 76 HE22 GLN 76 -9.332 2.997 -2.215 624 H ARG 77 H ARG 77 -7.577 -3.365 -3.206 625 HA ARG 77 HA ARG 77 -6.275 -3.986 -0.775 626 HB2 ARG 77 HB2 ARG 77 -5.850 -5.380 -3.423 627 HB3 ARG 77 HB3 ARG 77 -5.611 -6.053 -1.818 628 HG2 ARG 77 HG2 ARG 77 -8.240 -5.284 -3.065 629 HG3 ARG 77 HG3 ARG 77 -7.629 -6.920 -2.812 630 HD2 ARG 77 HD2 ARG 77 -7.604 -6.459 -0.367 631 HD3 ARG 77 HD3 ARG 77 -8.376 -4.906 -0.695 632 HE ARG 77 HE ARG 77 -9.948 -6.818 -1.922 633 HH11 ARG 77 HH11 ARG 77 -8.937 -6.032 1.336 634 HH12 ARG 77 HH12 ARG 77 -10.331 -6.762 2.076 635 HH21 ARG 77 HH21 ARG 77 -11.767 -7.773 -0.972 636 HH22 ARG 77 HH22 ARG 77 -11.952 -7.747 0.762 637 H ASN 78 H ASN 78 -5.085 -3.135 -3.981 638 HA ASN 78 HA ASN 78 -2.342 -3.385 -3.441 639 HB2 ASN 78 HB2 ASN 78 -3.839 -1.786 -5.512 640 HB3 ASN 78 HB3 ASN 78 -2.082 -1.840 -5.447 641 HD21 ASN 78 HD21 ASN 78 -1.953 -2.795 -7.471 642 HD22 ASN 78 HD22 ASN 78 -2.364 -4.455 -7.727 643 H LEU 79 H LEU 79 -4.536 -0.655 -3.112 644 HA LEU 79 HA LEU 79 -2.504 1.220 -2.411 645 HB2 LEU 79 HB2 LEU 79 -5.477 1.246 -1.909 646 HB3 LEU 79 HB3 LEU 79 -4.411 2.588 -1.548 647 HG LEU 79 HG LEU 79 -4.945 1.458 -4.296 648 HD11 LEU 79 HD11 LEU 79 -6.845 2.667 -3.356 649 HD12 LEU 79 HD12 LEU 79 -6.107 3.563 -4.683 650 HD13 LEU 79 HD13 LEU 79 -5.802 4.046 -3.013 651 HD21 LEU 79 HD21 LEU 79 -3.681 3.405 -5.091 652 HD22 LEU 79 HD22 LEU 79 -2.682 2.321 -4.124 653 HD23 LEU 79 HD23 LEU 79 -3.288 3.821 -3.422 654 H SER 80 H SER 80 -4.536 -1.005 -0.627 655 HA SER 80 HA SER 80 -4.080 0.049 1.943 656 HB2 SER 80 HB2 SER 80 -5.927 -1.507 1.412 657 HB3 SER 80 HB3 SER 80 -4.755 -2.803 1.183 658 HG SER 80 HG SER 80 -4.167 -1.893 3.511 659 H THR 81 H THR 81 -2.124 -1.993 -0.094 660 HA THR 81 HA THR 81 -0.520 -3.163 1.904 661 HB THR 81 HB THR 81 1.134 -3.586 0.161 662 HG1 THR 81 HG1 THR 81 -0.450 -2.150 -1.703 663 HG21 THR 81 HG21 THR 81 -1.692 -3.923 -0.848 664 HG22 THR 81 HG22 THR 81 -0.824 -5.032 0.212 665 HG23 THR 81 HG23 THR 81 -0.278 -4.793 -1.447 666 H ILE 82 H ILE 82 -0.027 -0.252 -0.055 667 HA ILE 82 HA ILE 82 2.332 0.626 1.198 668 HB ILE 82 HB ILE 82 0.179 2.243 -0.188 669 HG12 ILE 82 HG12 ILE 82 2.762 1.085 -1.260 670 HG13 ILE 82 HG13 ILE 82 1.148 0.465 -1.593 671 HG21 ILE 82 HG21 ILE 82 1.601 3.670 1.174 672 HG22 ILE 82 HG22 ILE 82 1.924 3.929 -0.541 673 HG23 ILE 82 HG23 ILE 82 3.040 2.969 0.431 674 HD11 ILE 82 HD11 ILE 82 0.581 2.563 -2.713 675 HD12 ILE 82 HD12 ILE 82 1.982 1.782 -3.449 676 HD13 ILE 82 HD13 ILE 82 2.203 3.171 -2.383 677 H LYS 83 H LYS 83 -1.076 1.232 1.828 678 HA LYS 83 HA LYS 83 -0.824 3.207 3.780 679 HB2 LYS 83 HB2 LYS 83 -2.934 2.625 2.676 680 HB3 LYS 83 HB3 LYS 83 -2.951 1.073 3.498 681 HG2 LYS 83 HG2 LYS 83 -2.828 3.520 5.171 682 HG3 LYS 83 HG3 LYS 83 -4.348 3.148 4.356 683 HD2 LYS 83 HD2 LYS 83 -4.323 0.907 5.366 684 HD3 LYS 83 HD3 LYS 83 -2.824 1.314 6.205 685 HE2 LYS 83 HE2 LYS 83 -3.947 3.062 7.437 686 HE3 LYS 83 HE3 LYS 83 -5.438 2.778 6.538 687 HZ1 LYS 83 HZ1 LYS 83 -5.590 1.707 8.653 688 HZ2 LYS 83 HZ2 LYS 83 -4.114 0.905 8.427 689 HZ3 LYS 83 HZ3 LYS 83 -5.452 0.504 7.465 690 H ILE 84 H ILE 84 -0.431 -0.283 4.043 691 HA ILE 84 HA ILE 84 -0.618 -0.487 6.837 692 HB ILE 84 HB ILE 84 1.058 -2.125 4.927 693 HG12 ILE 84 HG12 ILE 84 -1.328 -2.258 4.452 694 HG13 ILE 84 HG13 ILE 84 -0.766 -3.774 5.145 695 HG21 ILE 84 HG21 ILE 84 1.945 -2.341 7.175 696 HG22 ILE 84 HG22 ILE 84 1.123 -3.827 6.701 697 HG23 ILE 84 HG23 ILE 84 0.332 -2.696 7.799 698 HD11 ILE 84 HD11 ILE 84 -1.706 -3.153 7.298 699 HD12 ILE 84 HD12 ILE 84 -2.935 -3.112 6.033 700 HD13 ILE 84 HD13 ILE 84 -2.234 -1.608 6.631 701 H TYR 85 H TYR 85 2.298 0.042 4.795 702 HA TYR 85 HA TYR 85 3.957 0.210 7.118 703 HB2 TYR 85 HB2 TYR 85 5.741 0.228 5.702 704 HB3 TYR 85 HB3 TYR 85 4.549 -0.433 4.602 705 HD1 TYR 85 HD2 TYR 85 6.426 2.618 5.509 706 HD2 TYR 85 HD1 TYR 85 3.895 0.759 2.640 707 HE1 TYR 85 HE2 TYR 85 6.903 4.432 3.922 708 HE2 TYR 85 HE1 TYR 85 4.373 2.567 1.046 709 HH TYR 85 HH TYR 85 6.842 4.894 1.579 710 H VAL 86 H VAL 86 2.341 2.513 5.013 711 HA VAL 86 HA VAL 86 3.572 4.845 6.015 712 HB VAL 86 HB VAL 86 0.824 4.468 4.812 713 HG11 VAL 86 HG11 VAL 86 0.785 6.885 4.486 714 HG12 VAL 86 HG12 VAL 86 2.320 7.036 5.340 715 HG13 VAL 86 HG13 VAL 86 0.881 6.487 6.200 716 HG21 VAL 86 HG21 VAL 86 1.853 5.444 2.807 717 HG22 VAL 86 HG22 VAL 86 2.646 3.944 3.290 718 HG23 VAL 86 HG23 VAL 86 3.406 5.497 3.643 719 H SER 87 H SER 87 0.603 3.147 6.946 720 HA SER 87 HA SER 87 -0.230 4.791 9.022 721 HB2 SER 87 HB2 SER 87 -0.749 2.104 8.067 722 HB3 SER 87 HB3 SER 87 -0.851 2.188 9.828 723 HG SER 87 HG SER 87 -2.268 4.035 9.501 724 H ALA 88 H ALA 88 2.244 2.297 8.974 725 HA ALA 88 HA ALA 88 2.723 2.346 11.798 726 HB1 ALA 88 HB1 ALA 88 4.695 1.010 11.295 727 HB2 ALA 88 HB2 ALA 88 4.511 1.360 9.576 728 HB3 ALA 88 HB3 ALA 88 3.294 0.398 10.413 729 H ALA 89 H ALA 89 4.111 3.943 8.984 730 HA ALA 89 HA ALA 89 6.296 5.158 10.322 731 HB1 ALA 89 HB1 ALA 89 4.937 5.981 7.762 732 HB2 ALA 89 HB2 ALA 89 6.267 4.832 7.901 733 HB3 ALA 89 HB3 ALA 89 6.518 6.528 8.316 734 H ILE 90 H ILE 90 2.952 6.010 9.985 735 HA ILE 90 HA ILE 90 3.329 8.707 10.917 736 HB ILE 90 HB ILE 90 0.769 7.097 10.764 737 HG12 ILE 90 HG12 ILE 90 1.888 9.104 8.795 738 HG13 ILE 90 HG13 ILE 90 1.907 7.359 8.573 739 HG21 ILE 90 HG21 ILE 90 1.224 10.064 11.032 740 HG22 ILE 90 HG22 ILE 90 0.574 8.986 12.269 741 HG23 ILE 90 HG23 ILE 90 -0.342 9.290 10.792 742 HD11 ILE 90 HD11 ILE 90 0.109 8.378 7.317 743 HD12 ILE 90 HD12 ILE 90 -0.546 9.086 8.793 744 HD13 ILE 90 HD13 ILE 90 -0.533 7.334 8.585 745 H LYS 91 H LYS 91 2.773 5.577 12.291 746 HA LYS 91 HA LYS 91 1.748 6.489 14.801 747 HB2 LYS 91 HB2 LYS 91 1.305 4.213 13.869 748 HB3 LYS 91 HB3 LYS 91 2.996 3.811 14.128 749 HG2 LYS 91 HG2 LYS 91 1.382 4.779 16.435 750 HG3 LYS 91 HG3 LYS 91 1.150 3.128 15.859 751 HD2 LYS 91 HD2 LYS 91 3.387 2.547 16.324 752 HD3 LYS 91 HD3 LYS 91 3.874 4.235 16.493 753 HE2 LYS 91 HE2 LYS 91 3.710 3.079 18.662 754 HE3 LYS 91 HE3 LYS 91 2.599 4.438 18.533 755 HZ1 LYS 91 HZ1 LYS 91 1.848 1.592 18.132 756 HZ2 LYS 91 HZ2 LYS 91 0.795 2.922 18.105 757 HZ3 LYS 91 HZ3 LYS 91 1.574 2.483 19.545 758 H LYS 92 H LYS 92 4.898 5.350 13.644 759 HA LYS 92 HA LYS 92 6.244 7.225 15.294 760 HB2 LYS 92 HB2 LYS 92 5.680 5.322 16.909 761 HB3 LYS 92 HB3 LYS 92 6.838 4.358 15.999 762 HG2 LYS 92 HG2 LYS 92 7.885 5.303 17.955 763 HG3 LYS 92 HG3 LYS 92 8.584 6.008 16.501 764 HD2 LYS 92 HD2 LYS 92 7.170 7.981 16.771 765 HD3 LYS 92 HD3 LYS 92 6.453 7.271 18.218 766 HE2 LYS 92 HE2 LYS 92 8.645 7.274 19.302 767 HE3 LYS 92 HE3 LYS 92 9.358 7.993 17.856 768 HZ1 LYS 92 HZ1 LYS 92 8.909 9.673 19.512 769 HZ2 LYS 92 HZ2 LYS 92 7.274 9.224 19.580 770 HZ3 LYS 92 HZ3 LYS 92 7.902 9.918 18.168 771 H GLY 93 H GLY 93 6.664 7.511 12.958 772 HA2 GLY 93 HA2 GLY 93 9.208 6.174 12.338 773 HA3 GLY 93 HA3 GLY 93 7.962 6.268 11.102 774 H TYR 94 H TYR 94 7.223 8.465 10.514 775 HA TYR 94 HA TYR 94 8.972 10.675 11.062 776 HB2 TYR 94 HB2 TYR 94 10.222 9.210 9.404 777 HB3 TYR 94 HB3 TYR 94 8.968 9.605 8.241 778 HD1 TYR 94 HD1 TYR 94 11.715 11.006 10.268 779 HD2 TYR 94 HD2 TYR 94 8.949 11.709 7.112 780 HE1 TYR 94 HE1 TYR 94 12.943 13.044 9.656 781 HE2 TYR 94 HE2 TYR 94 10.170 13.752 6.492 782 HH TYR 94 HH TYR 94 11.694 15.385 7.561 783 H MET 95 H MET 95 6.407 9.254 9.136 784 HA MET 95 HA MET 95 5.418 11.641 8.009 785 HB2 MET 95 HB2 MET 95 4.242 8.915 8.468 786 HB3 MET 95 HB3 MET 95 3.299 10.209 7.757 787 HG2 MET 95 HG2 MET 95 5.896 9.183 6.653 788 HG3 MET 95 HG3 MET 95 4.299 8.682 6.104 789 HE1 MET 95 HE1 MET 95 2.572 11.244 6.129 790 HE2 MET 95 HE2 MET 95 2.646 10.186 4.719 791 HE3 MET 95 HE3 MET 95 2.855 11.925 4.528 792 H GLU 96 H GLU 96 4.409 13.247 8.950 793 HA GLU 96 HA GLU 96 3.476 13.052 11.676 794 HB2 GLU 96 HB2 GLU 96 4.660 15.066 10.672 795 HB3 GLU 96 HB3 GLU 96 3.185 15.392 9.790 796 HG2 GLU 96 HG2 GLU 96 1.983 15.547 11.946 797 HG3 GLU 96 HG3 GLU 96 3.527 15.358 12.776 798 H ASN 97 H ASN 97 2.109 13.389 8.469 799 HA ASN 97 HA ASN 97 -0.561 13.562 9.661 800 HB2 ASN 97 HB2 ASN 97 0.693 15.458 8.117 801 HB3 ASN 97 HB3 ASN 97 -0.284 14.590 6.937 802 HD21 ASN 97 HD21 ASN 97 -0.445 17.294 8.215 803 HD22 ASN 97 HD22 ASN 97 -2.067 17.403 8.798 804 H ASP 98 H ASP 98 -2.289 12.877 8.154 805 HA ASP 98 HA ASP 98 -1.596 10.208 7.239 806 HB2 ASP 98 HB2 ASP 98 -4.174 11.567 8.008 807 HB3 ASP 98 HB3 ASP 98 -4.135 9.976 7.274 808 HA PRO 99 HA PRO 99 -2.537 11.265 2.968 809 HB2 PRO 99 HB2 PRO 99 -2.565 8.450 2.368 810 HB3 PRO 99 HB3 PRO 99 -1.302 9.628 2.016 811 HG2 PRO 99 HG2 PRO 99 -1.021 7.568 3.802 812 HG3 PRO 99 HG3 PRO 99 -0.099 9.081 3.872 813 HD2 PRO 99 HD2 PRO 99 -2.519 8.258 5.437 814 HD3 PRO 99 HD3 PRO 99 -1.063 9.122 5.979 815 H PHE 100 H PHE 100 -4.484 9.721 5.175 816 HA PHE 100 HA PHE 100 -6.730 9.778 3.280 817 HB2 PHE 100 HB2 PHE 100 -7.748 7.961 4.643 818 HB3 PHE 100 HB3 PHE 100 -6.361 7.512 3.679 819 HD1 PHE 100 HD1 PHE 100 -4.260 6.892 4.718 820 HD2 PHE 100 HD2 PHE 100 -7.661 7.932 7.052 821 HE1 PHE 100 HE1 PHE 100 -3.197 5.895 6.701 822 HE2 PHE 100 HE2 PHE 100 -6.606 6.943 9.039 823 HZ PHE 100 HZ PHE 100 -4.373 5.920 8.865 824 H LYS 101 H LYS 101 -5.599 11.642 5.082 825 HA LYS 101 HA LYS 101 -7.396 11.959 7.310 826 HB2 LYS 101 HB2 LYS 101 -5.143 12.600 7.675 827 HB3 LYS 101 HB3 LYS 101 -5.095 13.553 6.203 828 HG2 LYS 101 HG2 LYS 101 -7.072 14.435 8.177 829 HG3 LYS 101 HG3 LYS 101 -5.390 14.551 8.696 830 HD2 LYS 101 HD2 LYS 101 -6.605 15.755 6.214 831 HD3 LYS 101 HD3 LYS 101 -6.048 16.613 7.645 832 HE2 LYS 101 HE2 LYS 101 -4.170 16.891 6.437 833 HE3 LYS 101 HE3 LYS 101 -3.807 15.264 6.996 834 HZ1 LYS 101 HZ1 LYS 101 -3.501 15.562 4.582 835 HZ2 LYS 101 HZ2 LYS 101 -5.148 15.918 4.424 836 HZ3 LYS 101 HZ3 LYS 101 -4.658 14.375 4.932 837 H ASP 102 H ASP 102 -6.861 13.432 4.148 838 HA ASP 102 HA ASP 102 -9.337 15.001 4.445 839 HB2 ASP 102 HB2 ASP 102 -6.958 15.206 2.617 840 HB3 ASP 102 HB3 ASP 102 -8.480 15.960 2.188 841 H PHE 103 H PHE 103 -8.749 12.018 3.692 842 HA PHE 103 HA PHE 103 -9.266 11.679 0.955 843 HB2 PHE 103 HB2 PHE 103 -8.267 10.016 2.643 844 HB3 PHE 103 HB3 PHE 103 -9.933 9.625 3.056 845 HD1 PHE 103 HD2 PHE 103 -11.437 8.697 1.272 846 HD2 PHE 103 HD1 PHE 103 -7.240 9.134 0.742 847 HE1 PHE 103 HE2 PHE 103 -11.515 7.106 -0.602 848 HE2 PHE 103 HE1 PHE 103 -7.306 7.546 -1.136 849 HZ PHE 103 HZ PHE 103 -9.445 6.528 -1.811 850 H GLY 104 H GLY 104 -11.467 10.870 3.666 851 HA2 GLY 104 HA2 GLY 104 -13.681 12.030 2.147 852 HA3 GLY 104 HA3 GLY 104 -13.771 10.307 2.478 853 H LEU 105 H LEU 105 -12.208 12.192 4.862 854 HA LEU 105 HA LEU 105 -14.654 12.213 6.491 855 HB2 LEU 105 HB2 LEU 105 -13.022 10.268 6.927 856 HB3 LEU 105 HB3 LEU 105 -11.956 11.478 7.610 857 HG LEU 105 HG LEU 105 -14.764 11.118 8.631 858 HD11 LEU 105 HD11 LEU 105 -13.658 8.945 8.750 859 HD12 LEU 105 HD12 LEU 105 -13.865 9.646 10.353 860 HD13 LEU 105 HD13 LEU 105 -12.285 9.685 9.572 861 HD21 LEU 105 HD21 LEU 105 -13.581 13.153 9.291 862 HD22 LEU 105 HD22 LEU 105 -12.242 12.178 9.898 863 HD23 LEU 105 HD23 LEU 105 -13.826 12.076 10.665 864 H GLU 106 H GLU 106 -14.965 14.382 6.379 865 HA GLU 106 HA GLU 106 -12.741 16.167 7.023 866 HB2 GLU 106 HB2 GLU 106 -15.540 16.825 6.080 867 HB3 GLU 106 HB3 GLU 106 -14.231 17.978 6.300 868 HG2 GLU 106 HG2 GLU 106 -12.940 16.841 4.564 869 HG3 GLU 106 HG3 GLU 106 -14.267 15.700 4.336 870 H HIS 107 H HIS 107 -13.117 14.910 9.175 871 HA HIS 107 HA HIS 107 -14.571 16.771 10.927 872 HB2 HIS 107 HB2 HIS 107 -15.819 14.600 10.662 873 HB3 HIS 107 HB3 HIS 107 -14.423 13.768 11.333 874 HD1 HIS 107 HD1 HIS 107 -15.016 13.058 13.615 875 HD2 HIS 107 HD2 HIS 107 -16.463 16.868 12.763 876 HE1 HIS 107 HE1 HIS 107 -16.115 13.860 15.733 877 HE2 HIS 107 HE2 HIS 107 -17.203 16.045 15.106 878 H HIS 108 H HIS 108 -11.828 16.493 9.947 879 HA HIS 108 HA HIS 108 -10.370 15.721 12.378 880 HB2 HIS 108 HB2 HIS 108 -9.455 16.061 9.520 881 HB3 HIS 108 HB3 HIS 108 -8.341 15.842 10.866 882 HD1 HIS 108 HD1 HIS 108 -9.684 13.947 8.275 883 HD2 HIS 108 HD2 HIS 108 -9.340 13.302 12.371 884 HE1 HIS 108 HE1 HIS 108 -9.806 11.457 8.583 885 HE2 HIS 108 HE2 HIS 108 -9.373 11.088 11.038 886 H HIS 109 H HIS 109 -10.285 17.448 13.681 887 HA HIS 109 HA HIS 109 -9.382 19.996 12.514 888 HB2 HIS 109 HB2 HIS 109 -11.032 19.362 14.938 889 HB3 HIS 109 HB3 HIS 109 -10.115 20.862 14.867 890 HD1 HIS 109 HD1 HIS 109 -11.147 22.763 13.634 891 HD2 HIS 109 HD2 HIS 109 -13.029 19.139 12.831 892 HE1 HIS 109 HE1 HIS 109 -13.180 23.340 12.264 893 HE2 HIS 109 HE2 HIS 109 -14.306 21.135 11.779 894 H HIS 110 H HIS 110 -7.655 21.080 13.442 895 HA HIS 110 HA HIS 110 -6.090 19.577 15.435 896 HB2 HIS 110 HB2 HIS 110 -4.977 20.939 12.964 897 HB3 HIS 110 HB3 HIS 110 -4.018 20.204 14.242 898 HD1 HIS 110 HD1 HIS 110 -5.665 19.482 11.073 899 HD2 HIS 110 HD2 HIS 110 -4.303 17.306 14.347 900 HE1 HIS 110 HE1 HIS 110 -5.516 17.094 10.290 901 HE2 HIS 110 HE2 HIS 110 -4.435 15.863 12.200 902 H HIS 111 H HIS 111 -4.613 20.919 16.670 903 HA HIS 111 HA HIS 111 -5.489 23.704 16.819 904 HB2 HIS 111 HB2 HIS 111 -3.899 21.955 18.684 905 HB3 HIS 111 HB3 HIS 111 -3.941 23.705 18.882 906 HD1 HIS 111 HD1 HIS 111 -5.832 24.613 20.211 907 HD2 HIS 111 HD2 HIS 111 -6.595 20.772 18.811 908 HE1 HIS 111 HE1 HIS 111 -8.020 23.934 21.249 909 HE2 HIS 111 HE2 HIS 111 -8.571 21.718 20.182 910 H HIS 112 H HIS 112 -3.347 22.002 15.131 911 HA HIS 112 HA HIS 112 -1.823 24.411 14.553 912 HB2 HIS 112 HB2 HIS 112 -0.387 23.039 16.062 913 HB3 HIS 112 HB3 HIS 112 -0.499 21.706 14.917 914 HD1 HIS 112 HD1 HIS 112 0.626 22.140 12.524 915 HD2 HIS 112 HD2 HIS 112 1.553 24.897 15.498 916 HE1 HIS 112 HE1 HIS 112 2.660 23.363 11.703 917 HE2 HIS 112 HE2 HIS 112 3.290 24.922 13.577 Start of MODEL 8 1 H1 MET 1 H1 MET 1 16.888 -14.468 12.059 2 H2 MET 1 H2 MET 1 16.756 -12.973 12.846 3 H3 MET 1 H3 MET 1 18.285 -13.593 12.460 4 HA MET 1 HA MET 1 17.725 -11.867 10.925 5 HB2 MET 1 HB2 MET 1 18.971 -13.874 10.126 6 HB3 MET 1 HB3 MET 1 17.449 -14.602 9.644 7 HG2 MET 1 HG2 MET 1 18.370 -11.969 8.545 8 HG3 MET 1 HG3 MET 1 18.868 -13.506 7.842 9 HE1 MET 1 HE1 MET 1 15.435 -15.003 6.673 10 HE2 MET 1 HE2 MET 1 16.233 -15.273 8.222 11 HE3 MET 1 HE3 MET 1 17.184 -15.238 6.736 12 H ASN 2 H ASN 2 16.160 -10.691 10.015 13 HA ASN 2 HA ASN 2 13.757 -11.893 8.984 14 HB2 ASN 2 HB2 ASN 2 13.245 -11.611 11.424 15 HB3 ASN 2 HB3 ASN 2 13.513 -9.882 11.240 16 HD21 ASN 2 HD21 ASN 2 11.391 -9.491 11.919 17 HD22 ASN 2 HD22 ASN 2 10.044 -9.750 10.866 18 H ASN 3 H ASN 3 12.355 -10.119 7.994 19 HA ASN 3 HA ASN 3 14.103 -8.583 6.343 20 HB2 ASN 3 HB2 ASN 3 11.086 -8.703 6.509 21 HB3 ASN 3 HB3 ASN 3 11.965 -7.781 5.296 22 HD21 ASN 3 HD21 ASN 3 11.146 -8.941 3.602 23 HD22 ASN 3 HD22 ASN 3 11.611 -10.579 3.266 24 HA PRO 4 HA PRO 4 13.807 -4.808 8.664 25 HB2 PRO 4 HB2 PRO 4 15.469 -3.357 7.168 26 HB3 PRO 4 HB3 PRO 4 16.045 -4.775 8.052 27 HG2 PRO 4 HG2 PRO 4 15.549 -4.434 5.149 28 HG3 PRO 4 HG3 PRO 4 16.703 -5.490 5.978 29 HD2 PRO 4 HD2 PRO 4 14.131 -6.179 4.944 30 HD3 PRO 4 HD3 PRO 4 15.251 -7.218 5.844 31 H SER 5 H SER 5 13.934 -2.297 7.764 32 HA SER 5 HA SER 5 11.641 -1.968 5.935 33 HB2 SER 5 HB2 SER 5 12.338 -0.222 8.312 34 HB3 SER 5 HB3 SER 5 10.898 -0.106 7.298 35 HG SER 5 HG SER 5 10.810 -2.530 8.082 36 H ASP 6 H ASP 6 14.437 -2.051 5.301 37 HA ASP 6 HA ASP 6 15.405 0.671 5.136 38 HB2 ASP 6 HB2 ASP 6 16.738 -1.477 5.714 39 HB3 ASP 6 HB3 ASP 6 16.791 -1.721 3.975 40 H PHE 7 H PHE 7 13.288 -0.869 3.346 41 HA PHE 7 HA PHE 7 14.357 -0.513 0.722 42 HB2 PHE 7 HB2 PHE 7 11.504 -1.050 1.552 43 HB3 PHE 7 HB3 PHE 7 12.180 -1.228 -0.047 44 HD1 PHE 7 HD1 PHE 7 12.265 -2.597 3.369 45 HD2 PHE 7 HD2 PHE 7 13.323 -3.180 -0.711 46 HE1 PHE 7 HE1 PHE 7 12.869 -4.931 3.859 47 HE2 PHE 7 HE2 PHE 7 13.924 -5.513 -0.227 48 HZ PHE 7 HZ PHE 7 13.700 -6.391 2.062 49 H LYS 8 H LYS 8 13.767 1.010 -0.763 50 HA LYS 8 HA LYS 8 12.857 3.526 0.392 51 HB2 LYS 8 HB2 LYS 8 13.863 4.548 -1.550 52 HB3 LYS 8 HB3 LYS 8 15.002 3.457 -0.794 53 HG2 LYS 8 HG2 LYS 8 14.475 1.770 -2.502 54 HG3 LYS 8 HG3 LYS 8 13.402 2.932 -3.284 55 HD2 LYS 8 HD2 LYS 8 15.341 4.466 -3.537 56 HD3 LYS 8 HD3 LYS 8 16.380 3.195 -2.889 57 HE2 LYS 8 HE2 LYS 8 15.676 1.723 -4.738 58 HE3 LYS 8 HE3 LYS 8 14.714 3.041 -5.399 59 HZ1 LYS 8 HZ1 LYS 8 16.866 4.340 -5.456 60 HZ2 LYS 8 HZ2 LYS 8 16.726 3.071 -6.570 61 HZ3 LYS 8 HZ3 LYS 8 17.662 2.868 -5.171 62 H SER 9 H SER 9 11.812 1.035 -1.675 63 HA SER 9 HA SER 9 9.918 2.820 -3.040 64 HB2 SER 9 HB2 SER 9 10.622 -0.043 -3.710 65 HB3 SER 9 HB3 SER 9 9.641 1.054 -4.685 66 HG SER 9 HG SER 9 12.406 1.023 -4.242 67 H PHE 10 H PHE 10 7.736 2.517 -2.988 68 HA PHE 10 HA PHE 10 6.632 1.585 -0.617 69 HB2 PHE 10 HB2 PHE 10 4.447 1.977 -1.670 70 HB3 PHE 10 HB3 PHE 10 5.557 3.302 -1.978 71 HD1 PHE 10 HD2 PHE 10 6.698 3.407 -4.240 72 HD2 PHE 10 HD1 PHE 10 3.403 0.841 -3.419 73 HE1 PHE 10 HE2 PHE 10 6.269 3.188 -6.653 74 HE2 PHE 10 HE1 PHE 10 2.971 0.620 -5.830 75 HZ PHE 10 HZ PHE 10 4.403 1.791 -7.449 76 H HIS 11 H HIS 11 6.679 0.022 -3.815 77 HA HIS 11 HA HIS 11 5.080 -2.171 -2.993 78 HB2 HIS 11 HB2 HIS 11 5.676 -3.230 -5.103 79 HB3 HIS 11 HB3 HIS 11 5.258 -1.545 -5.360 80 HD1 HIS 11 HD1 HIS 11 7.531 -3.916 -6.566 81 HD2 HIS 11 HD2 HIS 11 7.909 0.050 -5.391 82 HE1 HIS 11 HE1 HIS 11 9.636 -3.094 -7.648 83 HE2 HIS 11 HE2 HIS 11 9.922 -0.743 -6.813 84 H ASP 12 H ASP 12 8.400 -1.439 -2.649 85 HA ASP 12 HA ASP 12 9.233 -4.122 -2.027 86 HB2 ASP 12 HB2 ASP 12 10.548 -1.415 -1.804 87 HB3 ASP 12 HB3 ASP 12 11.337 -2.888 -1.263 88 H PHE 13 H PHE 13 8.675 -1.121 -0.226 89 HA PHE 13 HA PHE 13 9.297 -2.093 2.321 90 HB2 PHE 13 HB2 PHE 13 8.903 0.331 1.526 91 HB3 PHE 13 HB3 PHE 13 7.198 0.010 1.814 92 HD1 PHE 13 HD1 PHE 13 6.580 -0.836 4.197 93 HD2 PHE 13 HD2 PHE 13 10.235 1.115 3.229 94 HE1 PHE 13 HE1 PHE 13 6.875 -0.226 6.560 95 HE2 PHE 13 HE2 PHE 13 10.538 1.726 5.591 96 HZ PHE 13 HZ PHE 13 8.859 1.053 7.261 97 H VAL 14 H VAL 14 6.161 -1.879 0.649 98 HA VAL 14 HA VAL 14 4.569 -2.897 2.717 99 HB VAL 14 HB VAL 14 4.148 -3.066 -0.274 100 HG11 VAL 14 HG11 VAL 14 2.813 -4.773 0.809 101 HG12 VAL 14 HG12 VAL 14 1.773 -3.456 0.264 102 HG13 VAL 14 HG13 VAL 14 2.201 -3.594 1.969 103 HG21 VAL 14 HG21 VAL 14 4.258 -0.789 0.562 104 HG22 VAL 14 HG22 VAL 14 3.064 -1.170 1.804 105 HG23 VAL 14 HG23 VAL 14 2.605 -1.195 0.102 106 H ALA 15 H ALA 15 6.379 -4.568 0.168 107 HA ALA 15 HA ALA 15 5.301 -7.135 0.643 108 HB1 ALA 15 HB1 ALA 15 6.516 -6.530 -1.412 109 HB2 ALA 15 HB2 ALA 15 7.174 -7.978 -0.651 110 HB3 ALA 15 HB3 ALA 15 8.013 -6.436 -0.484 111 H SER 16 H SER 16 8.039 -5.404 2.016 112 HA SER 16 HA SER 16 9.039 -7.650 3.469 113 HB2 SER 16 HB2 SER 16 10.445 -5.727 2.750 114 HB3 SER 16 HB3 SER 16 9.597 -4.711 3.914 115 HG SER 16 HG SER 16 11.120 -5.376 5.213 116 H TYR 17 H TYR 17 7.041 -4.835 4.279 117 HA TYR 17 HA TYR 17 6.870 -5.429 7.055 118 HB2 TYR 17 HB2 TYR 17 6.382 -3.192 5.910 119 HB3 TYR 17 HB3 TYR 17 4.820 -3.874 5.474 120 HD1 TYR 17 HD2 TYR 17 3.165 -4.407 7.242 121 HD2 TYR 17 HD1 TYR 17 6.855 -2.496 8.147 122 HE1 TYR 17 HE2 TYR 17 2.271 -3.733 9.430 123 HE2 TYR 17 HE1 TYR 17 5.970 -1.817 10.338 124 HH TYR 17 HH TYR 17 3.781 -1.431 11.398 125 H MET 18 H MET 18 4.977 -6.293 4.231 126 HA MET 18 HA MET 18 2.811 -7.543 5.532 127 HB2 MET 18 HB2 MET 18 3.068 -6.922 3.062 128 HB3 MET 18 HB3 MET 18 4.007 -8.395 2.892 129 HG2 MET 18 HG2 MET 18 1.792 -8.844 2.176 130 HG3 MET 18 HG3 MET 18 2.040 -9.671 3.712 131 HE1 MET 18 HE1 MET 18 -0.238 -5.645 3.460 132 HE2 MET 18 HE2 MET 18 0.528 -6.384 2.053 133 HE3 MET 18 HE3 MET 18 1.519 -5.792 3.385 134 H LYS 19 H LYS 19 5.996 -8.670 4.583 135 HA LYS 19 HA LYS 19 5.653 -11.375 5.369 136 HB2 LYS 19 HB2 LYS 19 7.423 -10.583 3.817 137 HB3 LYS 19 HB3 LYS 19 8.190 -9.737 5.148 138 HG2 LYS 19 HG2 LYS 19 7.738 -12.685 5.321 139 HG3 LYS 19 HG3 LYS 19 9.088 -12.046 4.384 140 HD2 LYS 19 HD2 LYS 19 9.920 -10.880 6.352 141 HD3 LYS 19 HD3 LYS 19 8.547 -11.459 7.294 142 HE2 LYS 19 HE2 LYS 19 10.437 -12.831 7.795 143 HE3 LYS 19 HE3 LYS 19 9.296 -13.781 6.850 144 HZ1 LYS 19 HZ1 LYS 19 10.634 -13.497 4.909 145 HZ2 LYS 19 HZ2 LYS 19 11.637 -14.054 6.157 146 HZ3 LYS 19 HZ3 LYS 19 11.674 -12.422 5.706 147 H THR 20 H THR 20 6.453 -8.429 7.041 148 HA THR 20 HA THR 20 7.655 -9.538 9.333 149 HB THR 20 HB THR 20 6.134 -6.931 9.088 150 HG1 THR 20 HG1 THR 20 8.076 -7.381 7.679 151 HG21 THR 20 HG21 THR 20 6.473 -7.600 11.420 152 HG22 THR 20 HG22 THR 20 7.484 -6.215 11.010 153 HG23 THR 20 HG23 THR 20 8.195 -7.826 11.113 154 H TYR 21 H TYR 21 4.275 -8.341 8.909 155 HA TYR 21 HA TYR 21 3.598 -9.648 11.405 156 HB2 TYR 21 HB2 TYR 21 1.639 -8.395 11.435 157 HB3 TYR 21 HB3 TYR 21 2.823 -7.308 10.750 158 HD1 TYR 21 HD1 TYR 21 2.799 -6.950 8.227 159 HD2 TYR 21 HD2 TYR 21 -0.351 -8.904 10.316 160 HE1 TYR 21 HE1 TYR 21 1.277 -6.501 6.350 161 HE2 TYR 21 HE2 TYR 21 -1.876 -8.467 8.442 162 HH TYR 21 HH TYR 21 -0.788 -7.397 5.406 163 H SER 22 H SER 22 3.927 -10.717 8.400 164 HA SER 22 HA SER 22 1.689 -12.308 7.886 165 HB2 SER 22 HB2 SER 22 3.470 -12.034 6.253 166 HB3 SER 22 HB3 SER 22 4.613 -12.852 7.316 167 HG SER 22 HG SER 22 2.509 -14.446 6.978 168 H ARG 23 H ARG 23 3.764 -12.436 10.525 169 HA ARG 23 HA ARG 23 4.068 -15.132 11.089 170 HB2 ARG 23 HB2 ARG 23 3.681 -12.803 12.974 171 HB3 ARG 23 HB3 ARG 23 4.193 -14.404 13.482 172 HG2 ARG 23 HG2 ARG 23 6.200 -14.212 12.116 173 HG3 ARG 23 HG3 ARG 23 5.678 -12.620 11.563 174 HD2 ARG 23 HD2 ARG 23 6.251 -13.364 14.431 175 HD3 ARG 23 HD3 ARG 23 7.361 -12.505 13.366 176 HE ARG 23 HE ARG 23 4.727 -11.325 13.802 177 HH11 ARG 23 HH11 ARG 23 8.156 -11.301 14.545 178 HH12 ARG 23 HH12 ARG 23 8.124 -9.687 15.179 179 HH21 ARG 23 HH21 ARG 23 4.708 -9.183 14.619 180 HH22 ARG 23 HH22 ARG 23 6.189 -8.490 15.226 181 H ARG 24 H ARG 24 1.200 -13.175 11.278 182 HA ARG 24 HA ARG 24 -0.208 -15.463 12.487 183 HB2 ARG 24 HB2 ARG 24 -1.837 -13.896 13.403 184 HB3 ARG 24 HB3 ARG 24 -0.218 -13.504 13.959 185 HG2 ARG 24 HG2 ARG 24 -0.105 -11.718 12.253 186 HG3 ARG 24 HG3 ARG 24 -1.774 -12.085 11.808 187 HD2 ARG 24 HD2 ARG 24 -2.451 -11.624 14.144 188 HD3 ARG 24 HD3 ARG 24 -0.792 -11.156 14.504 189 HE ARG 24 HE ARG 24 -2.368 -9.738 12.457 190 HH11 ARG 24 HH11 ARG 24 -0.440 -9.742 15.382 191 HH12 ARG 24 HH12 ARG 24 -0.414 -8.005 15.523 192 HH21 ARG 24 HH21 ARG 24 -2.355 -7.457 12.638 193 HH22 ARG 24 HH22 ARG 24 -1.519 -6.704 13.969 194 H LEU 25 H LEU 25 0.412 -14.693 9.623 195 HA LEU 25 HA LEU 25 -2.344 -14.446 8.622 196 HB2 LEU 25 HB2 LEU 25 0.203 -13.314 7.754 197 HB3 LEU 25 HB3 LEU 25 -0.686 -14.072 6.449 198 HG LEU 25 HG LEU 25 -2.613 -12.637 6.901 199 HD11 LEU 25 HD11 LEU 25 -2.337 -12.340 9.291 200 HD12 LEU 25 HD12 LEU 25 -2.432 -10.779 8.478 201 HD13 LEU 25 HD13 LEU 25 -0.872 -11.395 9.022 202 HD21 LEU 25 HD21 LEU 25 -0.923 -11.895 5.309 203 HD22 LEU 25 HD22 LEU 25 -0.027 -11.111 6.610 204 HD23 LEU 25 HD23 LEU 25 -1.629 -10.525 6.163 205 H GLU 26 H GLU 26 -3.223 -16.103 7.609 206 HA GLU 26 HA GLU 26 -1.864 -18.559 7.161 207 HB2 GLU 26 HB2 GLU 26 -4.573 -17.466 6.661 208 HB3 GLU 26 HB3 GLU 26 -4.081 -18.819 5.659 209 HG2 GLU 26 HG2 GLU 26 -4.054 -18.814 8.667 210 HG3 GLU 26 HG3 GLU 26 -5.337 -19.496 7.666 211 H ILE 27 H ILE 27 -1.536 -19.616 5.130 212 HA ILE 27 HA ILE 27 -0.201 -18.149 3.184 213 HB ILE 27 HB ILE 27 -1.543 -20.845 2.950 214 HG12 ILE 27 HG12 ILE 27 0.234 -20.736 4.633 215 HG13 ILE 27 HG13 ILE 27 0.737 -21.715 3.259 216 HG21 ILE 27 HG21 ILE 27 -1.241 -19.880 0.731 217 HG22 ILE 27 HG22 ILE 27 -0.132 -21.227 0.992 218 HG23 ILE 27 HG23 ILE 27 0.457 -19.569 1.091 219 HD11 ILE 27 HD11 ILE 27 2.544 -20.297 4.028 220 HD12 ILE 27 HD12 ILE 27 1.544 -18.865 3.795 221 HD13 ILE 27 HD13 ILE 27 2.039 -19.830 2.404 222 H GLY 28 H GLY 28 -3.588 -19.132 3.358 223 HA2 GLY 28 HA2 GLY 28 -4.477 -18.536 0.819 224 HA3 GLY 28 HA3 GLY 28 -5.445 -18.331 2.270 225 H THR 29 H THR 29 -4.298 -16.231 3.550 226 HA THR 29 HA THR 29 -5.028 -14.045 1.825 227 HB THR 29 HB THR 29 -5.776 -13.822 4.076 228 HG1 THR 29 HG1 THR 29 -5.213 -11.775 4.237 229 HG21 THR 29 HG21 THR 29 -4.274 -13.753 6.008 230 HG22 THR 29 HG22 THR 29 -2.901 -14.101 4.959 231 HG23 THR 29 HG23 THR 29 -4.171 -15.305 5.176 232 H PHE 30 H PHE 30 -2.062 -15.348 3.203 233 HA PHE 30 HA PHE 30 -0.447 -13.095 2.707 234 HB2 PHE 30 HB2 PHE 30 0.111 -14.972 4.268 235 HB3 PHE 30 HB3 PHE 30 0.469 -15.967 2.863 236 HD1 PHE 30 HD1 PHE 30 1.283 -12.397 3.522 237 HD2 PHE 30 HD2 PHE 30 2.748 -16.351 2.939 238 HE1 PHE 30 HE1 PHE 30 3.589 -11.539 3.527 239 HE2 PHE 30 HE2 PHE 30 5.056 -15.498 2.940 240 HZ PHE 30 HZ PHE 30 5.481 -13.091 3.234 241 H ARG 31 H ARG 31 -0.998 -16.048 0.779 242 HA ARG 31 HA ARG 31 0.806 -15.194 -1.285 243 HB2 ARG 31 HB2 ARG 31 0.212 -17.156 -2.455 244 HB3 ARG 31 HB3 ARG 31 0.166 -17.606 -0.757 245 HG2 ARG 31 HG2 ARG 31 -2.238 -17.448 -0.732 246 HG3 ARG 31 HG3 ARG 31 -2.244 -16.862 -2.396 247 HD2 ARG 31 HD2 ARG 31 -1.158 -19.021 -3.060 248 HD3 ARG 31 HD3 ARG 31 -1.432 -19.589 -1.412 249 HE ARG 31 HE ARG 31 -3.829 -18.597 -2.599 250 HH11 ARG 31 HH11 ARG 31 -1.700 -21.379 -2.487 251 HH12 ARG 31 HH12 ARG 31 -2.933 -22.503 -2.989 252 HH21 ARG 31 HH21 ARG 31 -5.455 -20.069 -3.221 253 HH22 ARG 31 HH22 ARG 31 -5.079 -21.754 -3.370 254 H HIS 32 H HIS 32 -2.511 -14.650 -0.541 255 HA HIS 32 HA HIS 32 -3.497 -14.093 -3.133 256 HB2 HIS 32 HB2 HIS 32 -4.744 -14.471 -0.859 257 HB3 HIS 32 HB3 HIS 32 -4.559 -12.731 -0.677 258 HD1 HIS 32 HD1 HIS 32 -6.832 -15.175 -1.973 259 HD2 HIS 32 HD2 HIS 32 -5.719 -11.322 -3.065 260 HE1 HIS 32 HE1 HIS 32 -8.678 -14.331 -3.453 261 HE2 HIS 32 HE2 HIS 32 -7.896 -12.067 -4.245 262 H HIS 33 H HIS 33 -1.423 -12.410 -1.050 263 HA HIS 33 HA HIS 33 -1.220 -10.262 -2.993 264 HB2 HIS 33 HB2 HIS 33 -1.037 -8.554 -1.135 265 HB3 HIS 33 HB3 HIS 33 -2.652 -9.176 -1.428 266 HD1 HIS 33 HD1 HIS 33 -3.781 -9.159 0.758 267 HD2 HIS 33 HD2 HIS 33 0.104 -10.599 1.071 268 HE1 HIS 33 HE1 HIS 33 -3.511 -9.840 3.156 269 HE2 HIS 33 HE2 HIS 33 -1.202 -10.828 3.293 270 H LYS 34 H LYS 34 0.426 -12.349 -2.854 271 HA LYS 34 HA LYS 34 2.585 -11.965 -0.993 272 HB2 LYS 34 HB2 LYS 34 1.873 -14.205 -1.835 273 HB3 LYS 34 HB3 LYS 34 2.466 -13.754 -3.427 274 HG2 LYS 34 HG2 LYS 34 4.136 -15.087 -2.428 275 HG3 LYS 34 HG3 LYS 34 4.726 -13.424 -2.389 276 HD2 LYS 34 HD2 LYS 34 3.932 -13.244 -0.051 277 HD3 LYS 34 HD3 LYS 34 3.472 -14.946 -0.106 278 HE2 LYS 34 HE2 LYS 34 5.589 -14.842 0.951 279 HE3 LYS 34 HE3 LYS 34 5.866 -15.461 -0.674 280 HZ1 LYS 34 HZ1 LYS 34 7.474 -13.751 0.050 281 HZ2 LYS 34 HZ2 LYS 34 6.214 -12.618 0.095 282 HZ3 LYS 34 HZ3 LYS 34 6.657 -13.334 -1.375 283 H SER 35 H SER 35 2.799 -12.261 -4.531 284 HA SER 35 HA SER 35 5.038 -10.359 -4.455 285 HB2 SER 35 HB2 SER 35 4.365 -12.273 -6.696 286 HB3 SER 35 HB3 SER 35 5.908 -11.484 -6.367 287 HG SER 35 HG SER 35 4.787 -13.756 -5.241 288 H CYS 36 H CYS 36 1.846 -10.418 -5.124 289 HA CYS 36 HA CYS 36 1.424 -9.551 -7.694 290 HB2 CYS 36 HB2 CYS 36 -0.114 -8.700 -5.237 291 HB3 CYS 36 HB3 CYS 36 -0.714 -8.717 -6.890 292 HG CYS 36 HG CYS 36 -0.619 -11.497 -7.140 293 H MET 37 H MET 37 1.610 -7.415 -4.850 294 HA MET 37 HA MET 37 1.427 -5.041 -6.349 295 HB2 MET 37 HB2 MET 37 2.557 -5.424 -3.575 296 HB3 MET 37 HB3 MET 37 2.124 -3.880 -4.293 297 HG2 MET 37 HG2 MET 37 0.332 -4.407 -2.911 298 HG3 MET 37 HG3 MET 37 -0.225 -4.837 -4.527 299 HE1 MET 37 HE1 MET 37 1.026 -6.134 -1.062 300 HE2 MET 37 HE2 MET 37 2.270 -6.733 -2.160 301 HE3 MET 37 HE3 MET 37 1.186 -7.866 -1.353 302 H ARG 38 H ARG 38 4.205 -6.988 -5.466 303 HA ARG 38 HA ARG 38 6.069 -4.841 -5.881 304 HB2 ARG 38 HB2 ARG 38 6.332 -7.007 -4.426 305 HB3 ARG 38 HB3 ARG 38 6.922 -7.701 -5.928 306 HG2 ARG 38 HG2 ARG 38 8.637 -6.003 -6.091 307 HG3 ARG 38 HG3 ARG 38 8.027 -5.215 -4.639 308 HD2 ARG 38 HD2 ARG 38 8.558 -7.278 -3.361 309 HD3 ARG 38 HD3 ARG 38 9.288 -7.947 -4.824 310 HE ARG 38 HE ARG 38 10.334 -5.370 -4.053 311 HH11 ARG 38 HH11 ARG 38 10.677 -8.835 -3.665 312 HH12 ARG 38 HH12 ARG 38 12.339 -8.739 -3.174 313 HH21 ARG 38 HH21 ARG 38 12.490 -5.228 -3.413 314 HH22 ARG 38 HH22 ARG 38 13.376 -6.683 -3.023 315 H LYS 39 H LYS 39 5.000 -7.657 -7.695 316 HA LYS 39 HA LYS 39 6.834 -7.448 -9.822 317 HB2 LYS 39 HB2 LYS 39 4.035 -8.566 -9.805 318 HB3 LYS 39 HB3 LYS 39 5.183 -8.779 -11.117 319 HG2 LYS 39 HG2 LYS 39 6.700 -9.910 -9.484 320 HG3 LYS 39 HG3 LYS 39 5.368 -9.858 -8.322 321 HD2 LYS 39 HD2 LYS 39 5.410 -11.995 -9.490 322 HD3 LYS 39 HD3 LYS 39 3.952 -11.094 -9.898 323 HE2 LYS 39 HE2 LYS 39 4.958 -10.361 -11.977 324 HE3 LYS 39 HE3 LYS 39 6.457 -11.181 -11.567 325 HZ1 LYS 39 HZ1 LYS 39 5.317 -12.580 -13.052 326 HZ2 LYS 39 HZ2 LYS 39 3.838 -12.393 -12.242 327 HZ3 LYS 39 HZ3 LYS 39 5.089 -13.286 -11.525 328 H PHE 40 H PHE 40 3.371 -6.770 -10.044 329 HA PHE 40 HA PHE 40 3.441 -5.511 -12.506 330 HB2 PHE 40 HB2 PHE 40 1.381 -6.313 -11.310 331 HB3 PHE 40 HB3 PHE 40 1.451 -4.851 -10.330 332 HD1 PHE 40 HD1 PHE 40 0.920 -2.683 -11.290 333 HD2 PHE 40 HD2 PHE 40 0.764 -6.229 -13.640 334 HE1 PHE 40 HE1 PHE 40 -0.328 -1.470 -13.030 335 HE2 PHE 40 HE2 PHE 40 -0.483 -5.022 -15.381 336 HZ PHE 40 HZ PHE 40 -1.031 -2.642 -15.080 337 H LYS 41 H LYS 41 3.648 -3.983 -9.297 338 HA LYS 41 HA LYS 41 3.990 -1.363 -10.502 339 HB2 LYS 41 HB2 LYS 41 4.300 -2.171 -7.598 340 HB3 LYS 41 HB3 LYS 41 4.170 -0.530 -8.219 341 HG2 LYS 41 HG2 LYS 41 2.023 -2.637 -8.322 342 HG3 LYS 41 HG3 LYS 41 2.083 -1.262 -7.220 343 HD2 LYS 41 HD2 LYS 41 1.951 0.266 -9.133 344 HD3 LYS 41 HD3 LYS 41 1.886 -1.117 -10.226 345 HE2 LYS 41 HE2 LYS 41 -0.345 -0.220 -9.833 346 HE3 LYS 41 HE3 LYS 41 -0.196 -1.851 -9.183 347 HZ1 LYS 41 HZ1 LYS 41 0.061 0.627 -7.562 348 HZ2 LYS 41 HZ2 LYS 41 0.026 -0.964 -6.981 349 HZ3 LYS 41 HZ3 LYS 41 -1.360 -0.294 -7.684 350 H GLU 42 H GLU 42 5.800 -2.315 -11.749 351 HA GLU 42 HA GLU 42 8.107 -3.357 -10.495 352 HB2 GLU 42 HB2 GLU 42 9.080 -3.214 -12.776 353 HB3 GLU 42 HB3 GLU 42 7.512 -4.007 -12.730 354 HG2 GLU 42 HG2 GLU 42 6.456 -1.906 -13.465 355 HG3 GLU 42 HG3 GLU 42 8.053 -1.169 -13.578 356 H TYR 43 H TYR 43 7.175 -0.108 -11.224 357 HA TYR 43 HA TYR 43 9.803 0.909 -11.594 358 HB2 TYR 43 HB2 TYR 43 8.739 3.139 -11.486 359 HB3 TYR 43 HB3 TYR 43 7.949 2.058 -12.621 360 HD1 TYR 43 HD2 TYR 43 5.755 0.982 -11.935 361 HD2 TYR 43 HD1 TYR 43 7.545 4.153 -9.736 362 HE1 TYR 43 HE2 TYR 43 3.589 1.466 -10.876 363 HE2 TYR 43 HE1 TYR 43 5.386 4.646 -8.676 364 HH TYR 43 HH TYR 43 2.997 4.321 -9.148 365 H CYS 44 H CYS 44 11.247 1.595 -10.219 366 HA CYS 44 HA CYS 44 10.506 1.862 -7.376 367 HB2 CYS 44 HB2 CYS 44 13.162 1.074 -8.601 368 HB3 CYS 44 HB3 CYS 44 12.865 1.292 -6.878 369 HG CYS 44 HG CYS 44 12.712 -1.449 -8.480 370 H GLU 45 H GLU 45 11.991 3.384 -6.170 371 HA GLU 45 HA GLU 45 12.800 5.480 -5.802 372 HB2 GLU 45 HB2 GLU 45 14.159 4.613 -8.050 373 HB3 GLU 45 HB3 GLU 45 13.490 6.148 -8.574 374 HG2 GLU 45 HG2 GLU 45 15.056 5.867 -6.031 375 HG3 GLU 45 HG3 GLU 45 15.827 6.163 -7.586 376 H GLY 46 H GLY 46 12.526 7.879 -6.738 377 HA2 GLY 46 HA2 GLY 46 11.094 9.542 -7.459 378 HA3 GLY 46 HA3 GLY 46 10.227 8.326 -8.390 379 H LEU 47 H LEU 47 10.835 8.303 -4.932 380 HA LEU 47 HA LEU 47 8.067 8.984 -4.366 381 HB2 LEU 47 HB2 LEU 47 8.255 6.478 -4.770 382 HB3 LEU 47 HB3 LEU 47 9.256 6.406 -3.336 383 HG LEU 47 HG LEU 47 6.813 5.764 -3.069 384 HD11 LEU 47 HD11 LEU 47 7.877 7.954 -1.300 385 HD12 LEU 47 HD12 LEU 47 8.243 6.235 -1.160 386 HD13 LEU 47 HD13 LEU 47 6.598 6.811 -0.885 387 HD21 LEU 47 HD21 LEU 47 5.840 7.537 -4.414 388 HD22 LEU 47 HD22 LEU 47 6.453 8.747 -3.285 389 HD23 LEU 47 HD23 LEU 47 5.223 7.594 -2.763 390 H GLN 48 H GLN 48 7.919 10.129 -2.572 391 HA GLN 48 HA GLN 48 10.006 9.954 -0.529 392 HB2 GLN 48 HB2 GLN 48 9.908 12.069 -2.334 393 HB3 GLN 48 HB3 GLN 48 9.080 12.691 -0.927 394 HG2 GLN 48 HG2 GLN 48 11.329 13.313 -0.690 395 HG3 GLN 48 HG3 GLN 48 11.072 11.976 0.428 396 HE21 GLN 48 HE21 GLN 48 11.433 11.638 -3.042 397 HE22 GLN 48 HE22 GLN 48 12.940 10.785 -2.985 398 H PHE 49 H PHE 49 9.088 11.922 1.138 399 HA PHE 49 HA PHE 49 6.719 10.591 2.132 400 HB2 PHE 49 HB2 PHE 49 7.033 11.910 4.161 401 HB3 PHE 49 HB3 PHE 49 8.515 11.106 3.687 402 HD1 PHE 49 HD1 PHE 49 10.407 12.379 2.818 403 HD2 PHE 49 HD2 PHE 49 6.868 14.290 4.207 404 HE1 PHE 49 HE1 PHE 49 11.623 14.507 2.970 405 HE2 PHE 49 HE2 PHE 49 8.081 16.428 4.354 406 HZ PHE 49 HZ PHE 49 10.461 16.535 3.737 407 H HIS 50 H HIS 50 7.583 13.683 0.764 408 HA HIS 50 HA HIS 50 4.852 14.646 1.138 409 HB2 HIS 50 HB2 HIS 50 6.876 16.163 1.390 410 HB3 HIS 50 HB3 HIS 50 7.061 16.063 -0.359 411 HD1 HIS 50 HD1 HIS 50 6.067 18.015 -1.499 412 HD2 HIS 50 HD2 HIS 50 3.988 17.028 1.967 413 HE1 HIS 50 HE1 HIS 50 4.201 19.694 -1.322 414 HE2 HIS 50 HE2 HIS 50 2.843 18.954 0.671 415 H GLU 51 H GLU 51 6.411 12.684 -0.997 416 HA GLU 51 HA GLU 51 4.979 13.456 -3.385 417 HB2 GLU 51 HB2 GLU 51 6.514 10.940 -2.697 418 HB3 GLU 51 HB3 GLU 51 5.801 11.269 -4.271 419 HG2 GLU 51 HG2 GLU 51 7.938 12.925 -2.949 420 HG3 GLU 51 HG3 GLU 51 8.208 11.713 -4.200 421 H LEU 52 H LEU 52 4.610 11.296 -0.694 422 HA LEU 52 HA LEU 52 2.332 9.929 -1.828 423 HB2 LEU 52 HB2 LEU 52 4.190 9.090 -0.129 424 HB3 LEU 52 HB3 LEU 52 3.083 9.749 1.058 425 HG LEU 52 HG LEU 52 2.821 7.314 0.706 426 HD11 LEU 52 HD11 LEU 52 0.950 8.590 1.549 427 HD12 LEU 52 HD12 LEU 52 0.384 7.312 0.472 428 HD13 LEU 52 HD13 LEU 52 0.448 8.981 -0.095 429 HD21 LEU 52 HD21 LEU 52 1.928 8.131 -2.054 430 HD22 LEU 52 HD22 LEU 52 1.769 6.517 -1.362 431 HD23 LEU 52 HD23 LEU 52 3.369 7.197 -1.653 432 H THR 53 H THR 53 0.877 11.621 -2.165 433 HA THR 53 HA THR 53 -0.257 12.813 0.277 434 HB THR 53 HB THR 53 -0.792 14.835 -1.143 435 HG1 THR 53 HG1 THR 53 1.309 14.212 -2.853 436 HG21 THR 53 HG21 THR 53 1.039 14.857 0.486 437 HG22 THR 53 HG22 THR 53 1.443 15.812 -0.940 438 HG23 THR 53 HG23 THR 53 2.135 14.202 -0.732 439 H GLU 54 H GLU 54 -2.452 13.960 -0.440 440 HA GLU 54 HA GLU 54 -4.274 11.947 -1.169 441 HB2 GLU 54 HB2 GLU 54 -5.067 13.743 0.156 442 HB3 GLU 54 HB3 GLU 54 -4.475 14.948 -0.973 443 HG2 GLU 54 HG2 GLU 54 -6.574 13.050 -1.884 444 HG3 GLU 54 HG3 GLU 54 -7.025 14.353 -0.788 445 H ASP 55 H ASP 55 -2.796 14.566 -3.009 446 HA ASP 55 HA ASP 55 -4.218 14.328 -5.389 447 HB2 ASP 55 HB2 ASP 55 -2.615 16.161 -4.856 448 HB3 ASP 55 HB3 ASP 55 -1.287 15.029 -5.090 449 H PHE 56 H PHE 56 -1.286 12.679 -4.312 450 HA PHE 56 HA PHE 56 -0.864 11.120 -6.615 451 HB2 PHE 56 HB2 PHE 56 0.828 11.446 -4.825 452 HB3 PHE 56 HB3 PHE 56 -0.151 10.470 -3.738 453 HD1 PHE 56 HD2 PHE 56 -0.324 8.041 -4.059 454 HD2 PHE 56 HD1 PHE 56 2.142 10.453 -6.559 455 HE1 PHE 56 HE2 PHE 56 0.841 6.025 -4.854 456 HE2 PHE 56 HE1 PHE 56 3.307 8.440 -7.357 457 HZ PHE 56 HZ PHE 56 2.659 6.223 -6.504 458 H LEU 57 H LEU 57 -2.512 10.348 -3.551 459 HA LEU 57 HA LEU 57 -3.236 7.725 -4.200 460 HB2 LEU 57 HB2 LEU 57 -4.173 9.755 -2.241 461 HB3 LEU 57 HB3 LEU 57 -5.178 8.344 -2.500 462 HG LEU 57 HG LEU 57 -3.568 8.215 -0.560 463 HD11 LEU 57 HD11 LEU 57 -3.008 5.891 -0.965 464 HD12 LEU 57 HD12 LEU 57 -3.282 6.108 -2.693 465 HD13 LEU 57 HD13 LEU 57 -4.629 6.242 -1.562 466 HD21 LEU 57 HD21 LEU 57 -1.534 7.907 -2.766 467 HD22 LEU 57 HD22 LEU 57 -1.248 7.654 -1.044 468 HD23 LEU 57 HD23 LEU 57 -1.638 9.265 -1.644 469 H ARG 58 H ARG 58 -4.976 10.762 -4.670 470 HA ARG 58 HA ARG 58 -7.387 9.692 -5.601 471 HB2 ARG 58 HB2 ARG 58 -7.190 12.003 -4.929 472 HB3 ARG 58 HB3 ARG 58 -6.023 12.319 -6.200 473 HG2 ARG 58 HG2 ARG 58 -8.506 11.292 -7.268 474 HG3 ARG 58 HG3 ARG 58 -8.750 12.751 -6.302 475 HD2 ARG 58 HD2 ARG 58 -6.866 13.792 -7.606 476 HD3 ARG 58 HD3 ARG 58 -6.926 12.389 -8.669 477 HE ARG 58 HE ARG 58 -9.242 13.052 -9.206 478 HH11 ARG 58 HH11 ARG 58 -7.140 15.427 -7.705 479 HH12 ARG 58 HH12 ARG 58 -7.918 16.782 -8.471 480 HH21 ARG 58 HH21 ARG 58 -10.309 14.838 -10.165 481 HH22 ARG 58 HH22 ARG 58 -9.748 16.449 -9.829 482 H ASP 59 H ASP 59 -4.488 10.715 -7.401 483 HA ASP 59 HA ASP 59 -5.541 9.949 -9.947 484 HB2 ASP 59 HB2 ASP 59 -3.792 11.604 -9.871 485 HB3 ASP 59 HB3 ASP 59 -2.716 10.502 -9.020 486 H TYR 60 H TYR 60 -3.607 8.382 -7.494 487 HA TYR 60 HA TYR 60 -2.728 6.207 -9.082 488 HB2 TYR 60 HB2 TYR 60 -1.809 7.124 -6.828 489 HB3 TYR 60 HB3 TYR 60 -3.001 6.052 -6.100 490 HD1 TYR 60 HD1 TYR 60 -0.528 5.838 -8.885 491 HD2 TYR 60 HD2 TYR 60 -2.120 4.043 -5.374 492 HE1 TYR 60 HE1 TYR 60 1.051 3.975 -9.130 493 HE2 TYR 60 HE2 TYR 60 -0.543 2.173 -5.611 494 HH TYR 60 HH TYR 60 2.080 2.264 -7.850 495 H LEU 61 H LEU 61 -5.547 6.767 -7.092 496 HA LEU 61 HA LEU 61 -6.575 4.150 -7.063 497 HB2 LEU 61 HB2 LEU 61 -7.498 5.864 -5.652 498 HB3 LEU 61 HB3 LEU 61 -7.937 6.841 -7.036 499 HG LEU 61 HG LEU 61 -9.586 5.128 -7.702 500 HD11 LEU 61 HD11 LEU 61 -8.524 3.180 -6.686 501 HD12 LEU 61 HD12 LEU 61 -10.189 3.359 -6.135 502 HD13 LEU 61 HD13 LEU 61 -8.856 3.828 -5.081 503 HD21 LEU 61 HD21 LEU 61 -11.189 5.586 -5.894 504 HD22 LEU 61 HD22 LEU 61 -10.296 7.029 -6.376 505 HD23 LEU 61 HD23 LEU 61 -9.865 6.182 -4.891 506 H ILE 62 H ILE 62 -7.139 6.856 -9.270 507 HA ILE 62 HA ILE 62 -8.721 5.484 -11.154 508 HB ILE 62 HB ILE 62 -6.814 7.767 -11.711 509 HG12 ILE 62 HG12 ILE 62 -9.732 7.875 -10.913 510 HG13 ILE 62 HG13 ILE 62 -8.386 8.248 -9.843 511 HG21 ILE 62 HG21 ILE 62 -8.342 8.277 -13.559 512 HG22 ILE 62 HG22 ILE 62 -9.296 6.848 -13.160 513 HG23 ILE 62 HG23 ILE 62 -7.635 6.669 -13.726 514 HD11 ILE 62 HD11 ILE 62 -9.402 10.266 -10.706 515 HD12 ILE 62 HD12 ILE 62 -9.106 9.728 -12.358 516 HD13 ILE 62 HD13 ILE 62 -7.749 10.102 -11.296 517 H TYR 63 H TYR 63 -5.228 6.047 -10.982 518 HA TYR 63 HA TYR 63 -4.409 4.747 -13.291 519 HB2 TYR 63 HB2 TYR 63 -2.880 6.061 -11.953 520 HB3 TYR 63 HB3 TYR 63 -3.059 4.960 -10.593 521 HD1 TYR 63 HD2 TYR 63 -1.808 5.148 -14.090 522 HD2 TYR 63 HD1 TYR 63 -1.604 3.135 -10.350 523 HE1 TYR 63 HE2 TYR 63 0.131 3.864 -14.890 524 HE2 TYR 63 HE1 TYR 63 0.335 1.845 -11.139 525 HH TYR 63 HH TYR 63 1.962 2.598 -14.112 526 H MET 64 H MET 64 -5.126 3.423 -10.103 527 HA MET 64 HA MET 64 -4.280 0.777 -10.596 528 HB2 MET 64 HB2 MET 64 -4.976 1.992 -8.380 529 HB3 MET 64 HB3 MET 64 -6.587 1.419 -8.790 530 HG2 MET 64 HG2 MET 64 -5.908 -0.306 -7.501 531 HG3 MET 64 HG3 MET 64 -5.304 -0.877 -9.056 532 HE1 MET 64 HE1 MET 64 -2.701 1.193 -5.864 533 HE2 MET 64 HE2 MET 64 -4.398 0.782 -5.630 534 HE3 MET 64 HE3 MET 64 -3.946 2.024 -6.797 535 H LYS 65 H LYS 65 -7.464 2.310 -10.764 536 HA LYS 65 HA LYS 65 -8.917 0.045 -11.586 537 HB2 LYS 65 HB2 LYS 65 -9.607 2.487 -10.741 538 HB3 LYS 65 HB3 LYS 65 -9.779 2.762 -12.465 539 HG2 LYS 65 HG2 LYS 65 -11.143 0.523 -10.991 540 HG3 LYS 65 HG3 LYS 65 -11.873 2.100 -11.276 541 HD2 LYS 65 HD2 LYS 65 -11.781 1.769 -13.655 542 HD3 LYS 65 HD3 LYS 65 -10.865 0.274 -13.453 543 HE2 LYS 65 HE2 LYS 65 -12.766 -0.751 -12.319 544 HE3 LYS 65 HE3 LYS 65 -13.678 0.751 -12.478 545 HZ1 LYS 65 HZ1 LYS 65 -13.643 0.521 -14.856 546 HZ2 LYS 65 HZ2 LYS 65 -14.254 -0.908 -14.177 547 HZ3 LYS 65 HZ3 LYS 65 -12.665 -0.859 -14.759 548 H LYS 66 H LYS 66 -7.254 2.571 -13.411 549 HA LYS 66 HA LYS 66 -8.226 1.681 -15.961 550 HB2 LYS 66 HB2 LYS 66 -6.110 3.658 -15.135 551 HB3 LYS 66 HB3 LYS 66 -6.485 3.314 -16.814 552 HG2 LYS 66 HG2 LYS 66 -8.548 4.259 -14.848 553 HG3 LYS 66 HG3 LYS 66 -7.570 5.355 -15.824 554 HD2 LYS 66 HD2 LYS 66 -8.403 4.190 -17.855 555 HD3 LYS 66 HD3 LYS 66 -9.479 3.248 -16.821 556 HE2 LYS 66 HE2 LYS 66 -10.639 5.230 -16.126 557 HE3 LYS 66 HE3 LYS 66 -9.472 6.261 -16.949 558 HZ1 LYS 66 HZ1 LYS 66 -10.193 5.286 -19.059 559 HZ2 LYS 66 HZ2 LYS 66 -11.465 6.068 -18.257 560 HZ3 LYS 66 HZ3 LYS 66 -11.366 4.375 -18.240 561 H THR 67 H THR 67 -4.928 1.812 -14.594 562 HA THR 67 HA THR 67 -3.902 0.398 -16.870 563 HB THR 67 HB THR 67 -2.488 1.285 -14.351 564 HG1 THR 67 HG1 THR 67 -3.112 2.546 -16.815 565 HG21 THR 67 HG21 THR 67 -1.399 0.522 -17.067 566 HG22 THR 67 HG22 THR 67 -1.213 -0.404 -15.577 567 HG23 THR 67 HG23 THR 67 -0.455 1.181 -15.731 568 H LEU 68 H LEU 68 -4.443 -0.385 -13.451 569 HA LEU 68 HA LEU 68 -3.245 -3.006 -13.766 570 HB2 LEU 68 HB2 LEU 68 -3.785 -1.332 -11.600 571 HB3 LEU 68 HB3 LEU 68 -4.907 -2.662 -11.404 572 HG LEU 68 HG LEU 68 -1.902 -2.884 -11.601 573 HD11 LEU 68 HD11 LEU 68 -3.794 -3.311 -9.299 574 HD12 LEU 68 HD12 LEU 68 -2.632 -1.996 -9.475 575 HD13 LEU 68 HD13 LEU 68 -2.064 -3.654 -9.281 576 HD21 LEU 68 HD21 LEU 68 -3.972 -5.038 -11.201 577 HD22 LEU 68 HD22 LEU 68 -2.225 -5.253 -11.097 578 HD23 LEU 68 HD23 LEU 68 -2.969 -4.812 -12.635 579 H CYS 69 H CYS 69 -6.210 -1.556 -14.387 580 HA CYS 69 HA CYS 69 -8.259 -2.294 -15.021 581 HB2 CYS 69 HB2 CYS 69 -6.780 -3.693 -16.530 582 HB3 CYS 69 HB3 CYS 69 -6.951 -5.002 -15.366 583 HG CYS 69 HG CYS 69 -9.083 -3.929 -17.705 584 H ASN 70 H ASN 70 -7.660 -2.252 -12.275 585 HA ASN 70 HA ASN 70 -9.080 -4.592 -11.202 586 HB2 ASN 70 HB2 ASN 70 -7.316 -2.503 -9.949 587 HB3 ASN 70 HB3 ASN 70 -8.433 -3.431 -8.963 588 HD21 ASN 70 HD21 ASN 70 -6.750 -4.715 -11.769 589 HD22 ASN 70 HD22 ASN 70 -5.748 -5.811 -10.881 590 H ALA 71 H ALA 71 -10.847 -4.282 -9.738 591 HA ALA 71 HA ALA 71 -12.500 -1.979 -10.360 592 HB1 ALA 71 HB1 ALA 71 -14.180 -3.091 -8.954 593 HB2 ALA 71 HB2 ALA 71 -12.992 -4.315 -8.507 594 HB3 ALA 71 HB3 ALA 71 -13.535 -4.182 -10.180 595 H ASP 72 H ASP 72 -13.646 -0.918 -8.361 596 HA ASP 72 HA ASP 72 -11.572 0.459 -7.004 597 HB2 ASP 72 HB2 ASP 72 -13.168 1.939 -6.373 598 HB3 ASP 72 HB3 ASP 72 -14.159 1.077 -7.538 599 H SER 73 H SER 73 -13.642 -2.217 -6.130 600 HA SER 73 HA SER 73 -13.232 -2.281 -3.378 601 HB2 SER 73 HB2 SER 73 -13.423 -4.722 -5.147 602 HB3 SER 73 HB3 SER 73 -13.970 -4.547 -3.477 603 HG SER 73 HG SER 73 -15.437 -2.880 -4.348 604 H THR 74 H THR 74 -11.345 -3.766 -5.992 605 HA THR 74 HA THR 74 -9.380 -4.855 -4.214 606 HB THR 74 HB THR 74 -8.979 -4.459 -7.172 607 HG1 THR 74 HG1 THR 74 -10.386 -6.043 -7.602 608 HG21 THR 74 HG21 THR 74 -8.210 -6.678 -5.268 609 HG22 THR 74 HG22 THR 74 -7.137 -5.398 -5.835 610 HG23 THR 74 HG23 THR 74 -7.783 -6.577 -6.977 611 H ALA 75 H ALA 75 -9.665 -2.015 -6.275 612 HA ALA 75 HA ALA 75 -7.015 -1.098 -6.088 613 HB1 ALA 75 HB1 ALA 75 -7.901 1.060 -6.803 614 HB2 ALA 75 HB2 ALA 75 -9.540 0.517 -6.442 615 HB3 ALA 75 HB3 ALA 75 -8.620 -0.256 -7.734 616 H GLN 76 H GLN 76 -9.883 -0.364 -4.113 617 HA GLN 76 HA GLN 76 -8.605 1.430 -2.373 618 HB2 GLN 76 HB2 GLN 76 -11.085 -0.254 -2.180 619 HB3 GLN 76 HB3 GLN 76 -10.560 0.764 -0.857 620 HG2 GLN 76 HG2 GLN 76 -11.096 1.771 -3.632 621 HG3 GLN 76 HG3 GLN 76 -12.284 1.791 -2.331 622 HE21 GLN 76 HE21 GLN 76 -11.172 4.022 -3.801 623 HE22 GLN 76 HE22 GLN 76 -10.397 5.042 -2.642 624 H ARG 77 H ARG 77 -9.004 -2.080 -2.313 625 HA ARG 77 HA ARG 77 -7.923 -2.436 0.285 626 HB2 ARG 77 HB2 ARG 77 -9.262 -4.158 -0.930 627 HB3 ARG 77 HB3 ARG 77 -7.890 -4.413 -2.001 628 HG2 ARG 77 HG2 ARG 77 -6.525 -5.068 -0.063 629 HG3 ARG 77 HG3 ARG 77 -7.936 -4.865 0.975 630 HD2 ARG 77 HD2 ARG 77 -9.110 -6.574 -0.397 631 HD3 ARG 77 HD3 ARG 77 -7.606 -6.839 -1.279 632 HE ARG 77 HE ARG 77 -7.089 -7.103 1.463 633 HH11 ARG 77 HH11 ARG 77 -8.793 -8.782 -1.101 634 HH12 ARG 77 HH12 ARG 77 -8.676 -10.335 -0.317 635 HH21 ARG 77 HH21 ARG 77 -6.929 -9.134 2.477 636 HH22 ARG 77 HH22 ARG 77 -7.646 -10.529 1.719 637 H ASN 78 H ASN 78 -6.526 -2.416 -2.956 638 HA ASN 78 HA ASN 78 -3.890 -3.059 -2.248 639 HB2 ASN 78 HB2 ASN 78 -4.928 -2.908 -4.594 640 HB3 ASN 78 HB3 ASN 78 -4.630 -1.176 -4.487 641 HD21 ASN 78 HD21 ASN 78 -3.195 -4.324 -4.688 642 HD22 ASN 78 HD22 ASN 78 -1.613 -3.798 -5.127 643 H LEU 79 H LEU 79 -5.545 0.051 -2.521 644 HA LEU 79 HA LEU 79 -3.351 1.645 -1.732 645 HB2 LEU 79 HB2 LEU 79 -6.322 2.117 -1.598 646 HB3 LEU 79 HB3 LEU 79 -5.143 3.329 -1.134 647 HG LEU 79 HG LEU 79 -5.427 2.117 -3.888 648 HD11 LEU 79 HD11 LEU 79 -6.198 4.341 -4.538 649 HD12 LEU 79 HD12 LEU 79 -6.110 4.866 -2.858 650 HD13 LEU 79 HD13 LEU 79 -7.263 3.617 -3.333 651 HD21 LEU 79 HD21 LEU 79 -3.797 3.804 -4.568 652 HD22 LEU 79 HD22 LEU 79 -3.117 2.684 -3.387 653 HD23 LEU 79 HD23 LEU 79 -3.610 4.302 -2.886 654 H SER 80 H SER 80 -5.749 -0.159 0.067 655 HA SER 80 HA SER 80 -5.166 0.964 2.607 656 HB2 SER 80 HB2 SER 80 -6.312 -1.747 1.904 657 HB3 SER 80 HB3 SER 80 -6.293 -1.039 3.519 658 HG SER 80 HG SER 80 -7.584 0.059 1.232 659 H THR 81 H THR 81 -3.856 -1.847 0.843 660 HA THR 81 HA THR 81 -2.111 -2.612 2.955 661 HB THR 81 HB THR 81 -0.823 -3.774 1.031 662 HG1 THR 81 HG1 THR 81 -2.115 -2.343 -0.536 663 HG21 THR 81 HG21 THR 81 -3.701 -4.486 1.589 664 HG22 THR 81 HG22 THR 81 -2.315 -4.929 2.587 665 HG23 THR 81 HG23 THR 81 -2.472 -5.578 0.954 666 H ILE 82 H ILE 82 -1.926 -0.270 0.394 667 HA ILE 82 HA ILE 82 0.837 0.357 0.749 668 HB ILE 82 HB ILE 82 -1.441 1.978 -0.416 669 HG12 ILE 82 HG12 ILE 82 0.831 0.478 -1.744 670 HG13 ILE 82 HG13 ILE 82 -0.835 -0.080 -1.650 671 HG21 ILE 82 HG21 ILE 82 0.245 3.467 -1.344 672 HG22 ILE 82 HG22 ILE 82 1.517 2.565 -0.518 673 HG23 ILE 82 HG23 ILE 82 0.319 3.461 0.418 674 HD11 ILE 82 HD11 ILE 82 0.110 2.399 -3.077 675 HD12 ILE 82 HD12 ILE 82 -1.553 1.816 -3.002 676 HD13 ILE 82 HD13 ILE 82 -0.322 0.865 -3.832 677 H LYS 83 H LYS 83 -2.205 1.519 2.114 678 HA LYS 83 HA LYS 83 -1.195 3.629 3.646 679 HB2 LYS 83 HB2 LYS 83 -3.635 3.074 3.279 680 HB3 LYS 83 HB3 LYS 83 -3.454 1.822 4.498 681 HG2 LYS 83 HG2 LYS 83 -2.667 3.624 6.075 682 HG3 LYS 83 HG3 LYS 83 -3.183 4.793 4.857 683 HD2 LYS 83 HD2 LYS 83 -5.425 3.567 4.932 684 HD3 LYS 83 HD3 LYS 83 -4.844 2.857 6.431 685 HE2 LYS 83 HE2 LYS 83 -5.025 5.818 5.897 686 HE3 LYS 83 HE3 LYS 83 -6.245 4.886 6.758 687 HZ1 LYS 83 HZ1 LYS 83 -4.822 5.951 8.332 688 HZ2 LYS 83 HZ2 LYS 83 -3.429 5.329 7.598 689 HZ3 LYS 83 HZ3 LYS 83 -4.505 4.288 8.386 690 H ILE 84 H ILE 84 -1.105 0.174 4.159 691 HA ILE 84 HA ILE 84 -0.600 0.066 6.883 692 HB ILE 84 HB ILE 84 0.633 -1.662 4.728 693 HG12 ILE 84 HG12 ILE 84 -1.820 -1.656 4.662 694 HG13 ILE 84 HG13 ILE 84 -1.206 -3.213 5.203 695 HG21 ILE 84 HG21 ILE 84 0.343 -2.154 7.687 696 HG22 ILE 84 HG22 ILE 84 1.849 -1.900 6.805 697 HG23 ILE 84 HG23 ILE 84 0.884 -3.346 6.505 698 HD11 ILE 84 HD11 ILE 84 -3.144 -2.554 6.490 699 HD12 ILE 84 HD12 ILE 84 -2.348 -1.050 6.956 700 HD13 ILE 84 HD13 ILE 84 -1.711 -2.596 7.517 701 H TYR 85 H TYR 85 1.793 0.514 4.239 702 HA TYR 85 HA TYR 85 3.943 0.694 6.119 703 HB2 TYR 85 HB2 TYR 85 5.347 0.640 4.338 704 HB3 TYR 85 HB3 TYR 85 3.923 0.019 3.534 705 HD1 TYR 85 HD2 TYR 85 6.097 2.961 3.944 706 HD2 TYR 85 HD1 TYR 85 2.856 1.264 1.780 707 HE1 TYR 85 HE2 TYR 85 6.309 4.734 2.252 708 HE2 TYR 85 HE1 TYR 85 3.064 3.025 0.077 709 HH TYR 85 HH TYR 85 3.944 5.343 -0.079 710 H VAL 86 H VAL 86 1.864 2.958 4.449 711 HA VAL 86 HA VAL 86 3.294 5.323 5.095 712 HB VAL 86 HB VAL 86 0.339 4.948 4.545 713 HG11 VAL 86 HG11 VAL 86 0.747 7.040 5.723 714 HG12 VAL 86 HG12 VAL 86 0.318 7.350 4.040 715 HG13 VAL 86 HG13 VAL 86 2.000 7.470 4.558 716 HG21 VAL 86 HG21 VAL 86 0.900 5.736 2.290 717 HG22 VAL 86 HG22 VAL 86 1.736 4.234 2.689 718 HG23 VAL 86 HG23 VAL 86 2.607 5.768 2.733 719 H SER 87 H SER 87 0.574 3.665 6.614 720 HA SER 87 HA SER 87 0.238 5.413 8.785 721 HB2 SER 87 HB2 SER 87 -0.741 2.777 7.932 722 HB3 SER 87 HB3 SER 87 -0.681 2.974 9.686 723 HG SER 87 HG SER 87 -2.599 3.809 9.203 724 H ALA 88 H ALA 88 2.243 2.520 8.356 725 HA ALA 88 HA ALA 88 3.243 2.416 11.000 726 HB1 ALA 88 HB1 ALA 88 3.477 0.554 9.426 727 HB2 ALA 88 HB2 ALA 88 5.042 1.051 10.070 728 HB3 ALA 88 HB3 ALA 88 4.570 1.525 8.438 729 H ALA 89 H ALA 89 4.256 4.130 8.098 730 HA ALA 89 HA ALA 89 6.640 5.222 9.141 731 HB1 ALA 89 HB1 ALA 89 6.178 5.094 6.740 732 HB2 ALA 89 HB2 ALA 89 6.579 6.736 7.243 733 HB3 ALA 89 HB3 ALA 89 4.900 6.295 6.930 734 H ILE 90 H ILE 90 3.311 6.126 9.486 735 HA ILE 90 HA ILE 90 3.754 8.766 10.369 736 HB ILE 90 HB ILE 90 1.511 6.879 11.122 737 HG12 ILE 90 HG12 ILE 90 1.583 9.061 9.026 738 HG13 ILE 90 HG13 ILE 90 1.744 7.341 8.683 739 HG21 ILE 90 HG21 ILE 90 1.689 9.879 11.394 740 HG22 ILE 90 HG22 ILE 90 1.703 8.712 12.717 741 HG23 ILE 90 HG23 ILE 90 0.259 8.898 11.721 742 HD11 ILE 90 HD11 ILE 90 -0.502 6.956 9.545 743 HD12 ILE 90 HD12 ILE 90 -0.508 8.138 8.238 744 HD13 ILE 90 HD13 ILE 90 -0.660 8.673 9.910 745 H LYS 91 H LYS 91 3.465 5.688 12.103 746 HA LYS 91 HA LYS 91 4.002 6.765 14.674 747 HB2 LYS 91 HB2 LYS 91 3.929 4.031 13.493 748 HB3 LYS 91 HB3 LYS 91 4.715 4.240 15.051 749 HG2 LYS 91 HG2 LYS 91 1.894 5.087 14.435 750 HG3 LYS 91 HG3 LYS 91 2.343 3.572 15.220 751 HD2 LYS 91 HD2 LYS 91 3.501 4.939 16.979 752 HD3 LYS 91 HD3 LYS 91 2.788 6.374 16.243 753 HE2 LYS 91 HE2 LYS 91 0.564 5.551 16.689 754 HE3 LYS 91 HE3 LYS 91 1.214 4.024 17.289 755 HZ1 LYS 91 HZ1 LYS 91 2.330 5.289 19.067 756 HZ2 LYS 91 HZ2 LYS 91 0.641 5.424 19.134 757 HZ3 LYS 91 HZ3 LYS 91 1.569 6.707 18.524 758 H LYS 92 H LYS 92 6.017 5.549 12.094 759 HA LYS 92 HA LYS 92 8.458 5.467 13.518 760 HB2 LYS 92 HB2 LYS 92 7.878 4.503 11.190 761 HB3 LYS 92 HB3 LYS 92 8.207 6.114 10.579 762 HG2 LYS 92 HG2 LYS 92 10.232 4.590 12.189 763 HG3 LYS 92 HG3 LYS 92 10.074 4.388 10.445 764 HD2 LYS 92 HD2 LYS 92 10.508 6.770 10.124 765 HD3 LYS 92 HD3 LYS 92 10.628 6.989 11.872 766 HE2 LYS 92 HE2 LYS 92 12.537 5.434 11.914 767 HE3 LYS 92 HE3 LYS 92 12.432 5.276 10.162 768 HZ1 LYS 92 HZ1 LYS 92 14.131 6.855 10.786 769 HZ2 LYS 92 HZ2 LYS 92 13.009 7.776 11.657 770 HZ3 LYS 92 HZ3 LYS 92 12.876 7.652 9.967 771 H GLY 93 H GLY 93 6.695 8.028 11.885 772 HA2 GLY 93 HA2 GLY 93 6.924 10.308 12.625 773 HA3 GLY 93 HA3 GLY 93 8.610 9.968 13.001 774 H TYR 94 H TYR 94 7.630 8.566 10.116 775 HA TYR 94 HA TYR 94 9.224 10.446 8.587 776 HB2 TYR 94 HB2 TYR 94 9.434 7.962 8.319 777 HB3 TYR 94 HB3 TYR 94 7.800 7.935 7.668 778 HD1 TYR 94 HD2 TYR 94 10.570 10.343 7.009 779 HD2 TYR 94 HD1 TYR 94 8.044 7.292 5.452 780 HE1 TYR 94 HE2 TYR 94 11.470 10.755 4.761 781 HE2 TYR 94 HE1 TYR 94 8.939 7.695 3.198 782 HH TYR 94 HH TYR 94 10.071 9.348 1.931 783 H MET 95 H MET 95 5.936 9.109 8.504 784 HA MET 95 HA MET 95 5.059 11.332 6.827 785 HB2 MET 95 HB2 MET 95 3.756 8.737 7.658 786 HB3 MET 95 HB3 MET 95 2.906 10.000 6.789 787 HG2 MET 95 HG2 MET 95 5.375 8.602 5.796 788 HG3 MET 95 HG3 MET 95 3.724 8.178 5.344 789 HE1 MET 95 HE1 MET 95 2.185 9.607 3.763 790 HE2 MET 95 HE2 MET 95 2.549 11.269 3.297 791 HE3 MET 95 HE3 MET 95 2.231 10.877 4.987 792 H GLU 96 H GLU 96 3.776 12.918 7.598 793 HA GLU 96 HA GLU 96 3.494 13.202 10.428 794 HB2 GLU 96 HB2 GLU 96 3.863 15.071 8.777 795 HB3 GLU 96 HB3 GLU 96 2.196 14.864 8.265 796 HG2 GLU 96 HG2 GLU 96 1.369 15.547 10.377 797 HG3 GLU 96 HG3 GLU 96 2.974 15.467 11.103 798 H ASN 97 H ASN 97 1.276 12.671 7.742 799 HA ASN 97 HA ASN 97 -0.524 11.194 9.459 800 HB2 ASN 97 HB2 ASN 97 -1.236 13.808 8.191 801 HB3 ASN 97 HB3 ASN 97 -2.449 12.535 8.195 802 HD21 ASN 97 HD21 ASN 97 -1.636 11.404 10.714 803 HD22 ASN 97 HD22 ASN 97 -2.142 12.510 11.944 804 H ASP 98 H ASP 98 -2.396 10.335 7.950 805 HA ASP 98 HA ASP 98 -1.086 9.165 5.669 806 HB2 ASP 98 HB2 ASP 98 -3.305 7.968 5.435 807 HB3 ASP 98 HB3 ASP 98 -2.426 7.653 6.918 808 HA PRO 99 HA PRO 99 -2.752 11.848 2.598 809 HB2 PRO 99 HB2 PRO 99 -3.165 10.163 0.530 810 HB3 PRO 99 HB3 PRO 99 -1.548 10.609 1.078 811 HG2 PRO 99 HG2 PRO 99 -3.141 8.149 1.716 812 HG3 PRO 99 HG3 PRO 99 -1.440 8.280 1.222 813 HD2 PRO 99 HD2 PRO 99 -2.150 7.970 3.798 814 HD3 PRO 99 HD3 PRO 99 -0.753 8.958 3.320 815 H PHE 100 H PHE 100 -4.650 9.455 4.024 816 HA PHE 100 HA PHE 100 -7.006 9.906 2.394 817 HB2 PHE 100 HB2 PHE 100 -6.569 8.227 4.870 818 HB3 PHE 100 HB3 PHE 100 -8.095 8.327 3.995 819 HD1 PHE 100 HD1 PHE 100 -8.212 7.510 1.644 820 HD2 PHE 100 HD2 PHE 100 -4.819 6.836 4.120 821 HE1 PHE 100 HE1 PHE 100 -7.473 5.715 0.134 822 HE2 PHE 100 HE2 PHE 100 -4.072 5.037 2.615 823 HZ PHE 100 HZ PHE 100 -5.399 4.478 0.615 824 H LYS 101 H LYS 101 -5.573 11.109 5.283 825 HA LYS 101 HA LYS 101 -7.541 12.280 6.700 826 HB2 LYS 101 HB2 LYS 101 -4.752 12.762 6.069 827 HB3 LYS 101 HB3 LYS 101 -5.607 14.242 6.439 828 HG2 LYS 101 HG2 LYS 101 -5.710 11.829 8.204 829 HG3 LYS 101 HG3 LYS 101 -4.489 13.093 8.368 830 HD2 LYS 101 HD2 LYS 101 -6.230 14.754 8.722 831 HD3 LYS 101 HD3 LYS 101 -7.473 13.517 8.505 832 HE2 LYS 101 HE2 LYS 101 -6.900 12.433 10.485 833 HE3 LYS 101 HE3 LYS 101 -5.338 13.240 10.570 834 HZ1 LYS 101 HZ1 LYS 101 -6.468 15.321 11.050 835 HZ2 LYS 101 HZ2 LYS 101 -6.921 14.145 12.184 836 HZ3 LYS 101 HZ3 LYS 101 -7.981 14.564 10.932 837 H ASP 102 H ASP 102 -6.079 13.614 3.756 838 HA ASP 102 HA ASP 102 -8.236 15.623 3.657 839 HB2 ASP 102 HB2 ASP 102 -5.860 16.422 3.906 840 HB3 ASP 102 HB3 ASP 102 -5.523 15.749 2.320 841 H PHE 103 H PHE 103 -7.745 12.749 2.529 842 HA PHE 103 HA PHE 103 -7.581 12.812 -0.249 843 HB2 PHE 103 HB2 PHE 103 -7.356 10.754 1.071 844 HB3 PHE 103 HB3 PHE 103 -9.064 10.825 1.484 845 HD1 PHE 103 HD1 PHE 103 -6.753 10.565 -1.413 846 HD2 PHE 103 HD2 PHE 103 -10.634 9.770 0.142 847 HE1 PHE 103 HE1 PHE 103 -7.283 9.248 -3.420 848 HE2 PHE 103 HE2 PHE 103 -11.173 8.450 -1.864 849 HZ PHE 103 HZ PHE 103 -9.492 8.188 -3.649 850 H GLY 104 H GLY 104 -10.549 12.485 1.706 851 HA2 GLY 104 HA2 GLY 104 -12.097 13.341 -0.641 852 HA3 GLY 104 HA3 GLY 104 -12.750 12.565 0.799 853 H LEU 105 H LEU 105 -12.124 13.921 2.860 854 HA LEU 105 HA LEU 105 -12.067 16.747 2.514 855 HB2 LEU 105 HB2 LEU 105 -14.252 17.222 3.563 856 HB3 LEU 105 HB3 LEU 105 -14.399 16.478 1.986 857 HG LEU 105 HG LEU 105 -14.578 14.275 3.525 858 HD11 LEU 105 HD11 LEU 105 -14.397 15.514 5.622 859 HD12 LEU 105 HD12 LEU 105 -15.975 14.741 5.464 860 HD13 LEU 105 HD13 LEU 105 -15.809 16.473 5.179 861 HD21 LEU 105 HD21 LEU 105 -16.824 16.162 2.843 862 HD22 LEU 105 HD22 LEU 105 -17.007 14.456 3.258 863 HD23 LEU 105 HD23 LEU 105 -16.144 14.919 1.792 864 H GLU 106 H GLU 106 -11.021 17.556 4.169 865 HA GLU 106 HA GLU 106 -10.602 16.039 6.579 866 HB2 GLU 106 HB2 GLU 106 -9.371 18.268 5.288 867 HB3 GLU 106 HB3 GLU 106 -9.833 18.773 6.906 868 HG2 GLU 106 HG2 GLU 106 -8.224 16.303 6.321 869 HG3 GLU 106 HG3 GLU 106 -7.520 17.873 6.702 870 H HIS 107 H HIS 107 -11.781 19.376 6.156 871 HA HIS 107 HA HIS 107 -14.206 18.813 7.621 872 HB2 HIS 107 HB2 HIS 107 -12.005 20.453 8.845 873 HB3 HIS 107 HB3 HIS 107 -13.687 20.789 9.230 874 HD1 HIS 107 HD1 HIS 107 -10.894 18.896 10.388 875 HD2 HIS 107 HD2 HIS 107 -15.010 18.294 10.266 876 HE1 HIS 107 HE1 HIS 107 -11.369 17.095 12.084 877 HE2 HIS 107 HE2 HIS 107 -13.845 16.648 11.890 878 H HIS 108 H HIS 108 -12.163 20.975 5.814 879 HA HIS 108 HA HIS 108 -12.482 22.963 4.766 880 HB2 HIS 108 HB2 HIS 108 -15.360 22.048 4.848 881 HB3 HIS 108 HB3 HIS 108 -14.867 23.555 4.089 882 HD1 HIS 108 HD1 HIS 108 -12.944 23.188 2.135 883 HD2 HIS 108 HD2 HIS 108 -15.358 19.947 3.140 884 HE1 HIS 108 HE1 HIS 108 -12.765 21.583 0.210 885 HE2 HIS 108 HE2 HIS 108 -14.448 19.780 0.720 886 H HIS 109 H HIS 109 -14.443 24.971 5.083 887 HA HIS 109 HA HIS 109 -15.093 25.388 7.805 888 HB2 HIS 109 HB2 HIS 109 -12.484 25.679 7.617 889 HB3 HIS 109 HB3 HIS 109 -12.909 27.252 6.952 890 HD1 HIS 109 HD1 HIS 109 -13.004 29.035 8.649 891 HD2 HIS 109 HD2 HIS 109 -13.881 25.308 10.272 892 HE1 HIS 109 HE1 HIS 109 -13.360 29.430 11.106 893 HE2 HIS 109 HE2 HIS 109 -13.638 27.131 12.093 894 H HIS 110 H HIS 110 -16.991 26.300 7.371 895 HA HIS 110 HA HIS 110 -17.493 28.102 5.247 896 HB2 HIS 110 HB2 HIS 110 -19.328 26.872 6.191 897 HB3 HIS 110 HB3 HIS 110 -18.999 27.499 7.801 898 HD1 HIS 110 HD1 HIS 110 -20.624 29.214 8.475 899 HD2 HIS 110 HD2 HIS 110 -19.980 29.248 4.367 900 HE1 HIS 110 HE1 HIS 110 -22.098 31.042 7.570 901 HE2 HIS 110 HE2 HIS 110 -21.499 31.201 5.129 902 H HIS 111 H HIS 111 -16.879 30.154 5.062 903 HA HIS 111 HA HIS 111 -16.296 31.667 7.518 904 HB2 HIS 111 HB2 HIS 111 -14.231 32.560 6.397 905 HB3 HIS 111 HB3 HIS 111 -14.154 30.859 6.826 906 HD1 HIS 111 HD1 HIS 111 -13.796 29.189 4.952 907 HD2 HIS 111 HD2 HIS 111 -14.423 33.064 3.580 908 HE1 HIS 111 HE1 HIS 111 -13.256 29.133 2.505 909 HE2 HIS 111 HE2 HIS 111 -13.864 31.419 1.656 910 H HIS 112 H HIS 112 -18.425 31.695 5.349 911 HA HIS 112 HA HIS 112 -18.303 34.603 4.972 912 HB2 HIS 112 HB2 HIS 112 -17.825 33.360 2.817 913 HB3 HIS 112 HB3 HIS 112 -19.460 32.715 2.911 914 HD1 HIS 112 HD1 HIS 112 -21.418 34.364 2.432 915 HD2 HIS 112 HD2 HIS 112 -17.630 36.046 2.061 916 HE1 HIS 112 HE1 HIS 112 -21.762 36.554 1.246 917 HE2 HIS 112 HE2 HIS 112 -19.449 37.515 0.948 Start of MODEL 9 1 H1 MET 1 H1 MET 1 20.927 -9.686 7.278 2 H2 MET 1 H2 MET 1 19.994 -8.549 8.124 3 H3 MET 1 H3 MET 1 19.235 -9.733 7.175 4 HA MET 1 HA MET 1 20.158 -11.461 8.627 5 HB2 MET 1 HB2 MET 1 20.897 -9.095 10.361 6 HB3 MET 1 HB3 MET 1 21.056 -10.789 10.806 7 HG2 MET 1 HG2 MET 1 22.696 -11.098 9.022 8 HG3 MET 1 HG3 MET 1 22.540 -9.397 8.586 9 HE1 MET 1 HE1 MET 1 26.081 -9.422 10.173 10 HE2 MET 1 HE2 MET 1 25.096 -8.879 8.814 11 HE3 MET 1 HE3 MET 1 25.339 -10.603 9.093 12 H ASN 2 H ASN 2 18.876 -8.438 10.069 13 HA ASN 2 HA ASN 2 16.372 -9.888 10.622 14 HB2 ASN 2 HB2 ASN 2 17.847 -8.038 12.510 15 HB3 ASN 2 HB3 ASN 2 16.196 -8.585 12.762 16 HD21 ASN 2 HD21 ASN 2 18.640 -8.964 14.341 17 HD22 ASN 2 HD22 ASN 2 18.805 -10.676 14.542 18 H ASN 3 H ASN 3 15.601 -8.880 8.698 19 HA ASN 3 HA ASN 3 14.660 -7.276 7.398 20 HB2 ASN 3 HB2 ASN 3 13.040 -7.398 9.303 21 HB3 ASN 3 HB3 ASN 3 13.856 -6.015 10.026 22 HD21 ASN 3 HD21 ASN 3 13.585 -3.979 9.127 23 HD22 ASN 3 HD22 ASN 3 12.369 -3.643 7.946 24 HA PRO 4 HA PRO 4 18.107 -4.292 7.817 25 HB2 PRO 4 HB2 PRO 4 19.042 -4.521 5.311 26 HB3 PRO 4 HB3 PRO 4 19.433 -5.713 6.557 27 HG2 PRO 4 HG2 PRO 4 17.410 -5.860 4.358 28 HG3 PRO 4 HG3 PRO 4 18.512 -7.115 4.954 29 HD2 PRO 4 HD2 PRO 4 15.863 -6.938 5.660 30 HD3 PRO 4 HD3 PRO 4 17.110 -7.709 6.660 31 H SER 5 H SER 5 18.064 -2.156 7.296 32 HA SER 5 HA SER 5 15.781 -1.168 5.831 33 HB2 SER 5 HB2 SER 5 16.584 -0.007 7.866 34 HB3 SER 5 HB3 SER 5 18.110 0.340 7.055 35 HG SER 5 HG SER 5 17.181 1.861 5.899 36 H ASP 6 H ASP 6 16.331 -2.188 3.824 37 HA ASP 6 HA ASP 6 18.273 -0.632 2.253 38 HB2 ASP 6 HB2 ASP 6 19.016 -2.992 3.088 39 HB3 ASP 6 HB3 ASP 6 17.950 -3.583 1.823 40 H PHE 7 H PHE 7 15.256 -1.030 2.650 41 HA PHE 7 HA PHE 7 14.261 -2.012 0.171 42 HB2 PHE 7 HB2 PHE 7 12.766 -0.175 2.019 43 HB3 PHE 7 HB3 PHE 7 12.136 -1.427 0.970 44 HD1 PHE 7 HD1 PHE 7 12.688 -3.850 1.528 45 HD2 PHE 7 HD2 PHE 7 13.200 -0.632 4.264 46 HE1 PHE 7 HE1 PHE 7 12.683 -5.444 3.399 47 HE2 PHE 7 HE2 PHE 7 13.194 -2.223 6.138 48 HZ PHE 7 HZ PHE 7 12.934 -4.631 5.708 49 H LYS 8 H LYS 8 14.312 -0.971 -1.682 50 HA LYS 8 HA LYS 8 14.833 1.883 -1.748 51 HB2 LYS 8 HB2 LYS 8 14.738 -0.223 -3.900 52 HB3 LYS 8 HB3 LYS 8 15.104 1.466 -4.182 53 HG2 LYS 8 HG2 LYS 8 17.073 1.294 -2.754 54 HG3 LYS 8 HG3 LYS 8 16.695 -0.400 -2.442 55 HD2 LYS 8 HD2 LYS 8 16.898 -0.843 -4.870 56 HD3 LYS 8 HD3 LYS 8 17.392 0.834 -5.099 57 HE2 LYS 8 HE2 LYS 8 19.302 0.462 -3.602 58 HE3 LYS 8 HE3 LYS 8 18.818 -1.222 -3.416 59 HZ1 LYS 8 HZ1 LYS 8 19.634 0.084 -5.956 60 HZ2 LYS 8 HZ2 LYS 8 19.135 -1.530 -5.803 61 HZ3 LYS 8 HZ3 LYS 8 20.562 -1.008 -5.055 62 H SER 9 H SER 9 12.201 -0.080 -1.697 63 HA SER 9 HA SER 9 10.481 1.994 -2.801 64 HB2 SER 9 HB2 SER 9 9.157 0.170 -3.990 65 HB3 SER 9 HB3 SER 9 10.710 0.591 -4.709 66 HG SER 9 HG SER 9 10.773 -1.566 -4.632 67 H PHE 10 H PHE 10 8.337 1.971 -1.949 68 HA PHE 10 HA PHE 10 8.129 0.789 0.632 69 HB2 PHE 10 HB2 PHE 10 5.892 1.729 0.733 70 HB3 PHE 10 HB3 PHE 10 7.025 2.924 0.153 71 HD1 PHE 10 HD1 PHE 10 4.610 0.404 -1.208 72 HD2 PHE 10 HD2 PHE 10 6.385 4.252 -1.585 73 HE1 PHE 10 HE1 PHE 10 3.107 0.914 -3.082 74 HE2 PHE 10 HE2 PHE 10 4.886 4.761 -3.467 75 HZ PHE 10 HZ PHE 10 3.245 3.092 -4.217 76 H HIS 11 H HIS 11 7.174 -0.098 -2.570 77 HA HIS 11 HA HIS 11 5.338 -2.133 -1.991 78 HB2 HIS 11 HB2 HIS 11 7.297 -1.737 -4.237 79 HB3 HIS 11 HB3 HIS 11 6.354 -3.219 -4.131 80 HD1 HIS 11 HD1 HIS 11 6.258 0.036 -5.610 81 HD2 HIS 11 HD2 HIS 11 3.424 -2.539 -3.965 82 HE1 HIS 11 HE1 HIS 11 4.036 0.774 -6.541 83 HE2 HIS 11 HE2 HIS 11 2.328 -0.702 -5.419 84 H ASP 12 H ASP 12 8.872 -2.158 -1.970 85 HA ASP 12 HA ASP 12 8.989 -4.960 -1.307 86 HB2 ASP 12 HB2 ASP 12 10.799 -3.611 -2.545 87 HB3 ASP 12 HB3 ASP 12 11.253 -3.004 -0.954 88 H PHE 13 H PHE 13 9.286 -1.886 0.376 89 HA PHE 13 HA PHE 13 10.022 -2.784 2.910 90 HB2 PHE 13 HB2 PHE 13 10.011 -0.417 2.309 91 HB3 PHE 13 HB3 PHE 13 8.259 -0.442 2.152 92 HD1 PHE 13 HD1 PHE 13 11.072 -0.483 4.498 93 HD2 PHE 13 HD2 PHE 13 6.837 -0.389 4.092 94 HE1 PHE 13 HE1 PHE 13 10.863 0.138 6.867 95 HE2 PHE 13 HE2 PHE 13 6.618 0.234 6.462 96 HZ PHE 13 HZ PHE 13 8.633 0.498 7.854 97 H VAL 14 H VAL 14 6.742 -2.204 1.633 98 HA VAL 14 HA VAL 14 5.369 -3.015 3.944 99 HB VAL 14 HB VAL 14 4.453 -3.057 1.061 100 HG11 VAL 14 HG11 VAL 14 3.108 -4.578 2.421 101 HG12 VAL 14 HG12 VAL 14 2.180 -3.155 1.949 102 HG13 VAL 14 HG13 VAL 14 2.819 -3.286 3.587 103 HG21 VAL 14 HG21 VAL 14 4.027 -1.054 3.277 104 HG22 VAL 14 HG22 VAL 14 3.287 -0.982 1.679 105 HG23 VAL 14 HG23 VAL 14 5.036 -0.836 1.846 106 H ALA 15 H ALA 15 6.412 -4.823 1.089 107 HA ALA 15 HA ALA 15 5.156 -7.250 1.681 108 HB1 ALA 15 HB1 ALA 15 6.163 -6.764 -0.490 109 HB2 ALA 15 HB2 ALA 15 6.775 -8.277 0.179 110 HB3 ALA 15 HB3 ALA 15 7.768 -6.822 0.240 111 H SER 16 H SER 16 8.254 -5.939 2.746 112 HA SER 16 HA SER 16 9.078 -8.346 4.059 113 HB2 SER 16 HB2 SER 16 10.632 -6.555 3.207 114 HB3 SER 16 HB3 SER 16 10.105 -5.542 4.550 115 HG SER 16 HG SER 16 11.299 -6.667 5.872 116 H TYR 17 H TYR 17 7.548 -5.323 5.110 117 HA TYR 17 HA TYR 17 7.557 -5.972 7.876 118 HB2 TYR 17 HB2 TYR 17 7.275 -3.657 6.999 119 HB3 TYR 17 HB3 TYR 17 5.680 -4.107 6.404 120 HD1 TYR 17 HD1 TYR 17 7.695 -3.479 9.415 121 HD2 TYR 17 HD2 TYR 17 3.804 -4.304 7.909 122 HE1 TYR 17 HE1 TYR 17 6.730 -2.881 11.597 123 HE2 TYR 17 HE2 TYR 17 2.830 -3.711 10.085 124 HH TYR 17 HH TYR 17 4.615 -2.144 12.536 125 H MET 18 H MET 18 5.255 -6.464 5.255 126 HA MET 18 HA MET 18 3.202 -7.593 6.865 127 HB2 MET 18 HB2 MET 18 2.888 -6.662 4.557 128 HB3 MET 18 HB3 MET 18 3.743 -8.060 3.923 129 HG2 MET 18 HG2 MET 18 2.018 -9.532 4.642 130 HG3 MET 18 HG3 MET 18 1.224 -8.245 5.550 131 HE1 MET 18 HE1 MET 18 -0.054 -5.897 2.676 132 HE2 MET 18 HE2 MET 18 1.526 -5.785 3.447 133 HE3 MET 18 HE3 MET 18 0.093 -6.127 4.420 134 H LYS 19 H LYS 19 5.997 -8.850 5.195 135 HA LYS 19 HA LYS 19 5.583 -11.599 5.652 136 HB2 LYS 19 HB2 LYS 19 7.262 -10.704 4.089 137 HB3 LYS 19 HB3 LYS 19 8.157 -10.023 5.436 138 HG2 LYS 19 HG2 LYS 19 8.393 -12.401 6.291 139 HG3 LYS 19 HG3 LYS 19 7.805 -12.909 4.704 140 HD2 LYS 19 HD2 LYS 19 9.627 -11.616 3.653 141 HD3 LYS 19 HD3 LYS 19 10.236 -11.207 5.256 142 HE2 LYS 19 HE2 LYS 19 10.453 -13.670 5.694 143 HE3 LYS 19 HE3 LYS 19 10.072 -13.936 3.993 144 HZ1 LYS 19 HZ1 LYS 19 12.438 -13.932 4.287 145 HZ2 LYS 19 HZ2 LYS 19 12.393 -12.437 5.082 146 HZ3 LYS 19 HZ3 LYS 19 12.010 -12.529 3.433 147 H THR 20 H THR 20 6.800 -8.988 7.611 148 HA THR 20 HA THR 20 8.060 -10.422 9.645 149 HB THR 20 HB THR 20 6.588 -7.787 9.856 150 HG1 THR 20 HG1 THR 20 8.499 -8.173 8.322 151 HG21 THR 20 HG21 THR 20 7.021 -8.773 12.056 152 HG22 THR 20 HG22 THR 20 8.036 -7.356 11.783 153 HG23 THR 20 HG23 THR 20 8.722 -8.975 11.636 154 H TYR 21 H TYR 21 4.649 -9.237 9.554 155 HA TYR 21 HA TYR 21 4.119 -10.858 11.887 156 HB2 TYR 21 HB2 TYR 21 1.939 -9.860 11.932 157 HB3 TYR 21 HB3 TYR 21 3.136 -8.604 11.722 158 HD1 TYR 21 HD1 TYR 21 0.363 -10.421 10.158 159 HD2 TYR 21 HD2 TYR 21 3.203 -7.289 9.691 160 HE1 TYR 21 HE1 TYR 21 -0.932 -9.541 8.262 161 HE2 TYR 21 HE2 TYR 21 1.919 -6.403 7.790 162 HH TYR 21 HH TYR 21 -1.241 -7.387 7.079 163 H SER 22 H SER 22 4.307 -11.429 8.660 164 HA SER 22 HA SER 22 2.170 -13.250 8.273 165 HB2 SER 22 HB2 SER 22 3.378 -12.357 6.363 166 HB3 SER 22 HB3 SER 22 4.883 -13.070 6.939 167 HG SER 22 HG SER 22 3.197 -15.054 6.795 168 H ARG 23 H ARG 23 4.865 -13.395 10.269 169 HA ARG 23 HA ARG 23 5.551 -16.123 10.118 170 HB2 ARG 23 HB2 ARG 23 5.712 -14.272 12.500 171 HB3 ARG 23 HB3 ARG 23 6.555 -15.798 12.322 172 HG2 ARG 23 HG2 ARG 23 7.843 -14.885 10.461 173 HG3 ARG 23 HG3 ARG 23 6.980 -13.351 10.624 174 HD2 ARG 23 HD2 ARG 23 7.789 -13.365 13.048 175 HD3 ARG 23 HD3 ARG 23 8.900 -14.635 12.547 176 HE ARG 23 HE ARG 23 9.704 -12.933 10.853 177 HH11 ARG 23 HH11 ARG 23 8.349 -12.050 13.960 178 HH12 ARG 23 HH12 ARG 23 9.230 -10.554 14.059 179 HH21 ARG 23 HH21 ARG 23 10.852 -10.977 10.973 180 HH22 ARG 23 HH22 ARG 23 10.666 -9.939 12.358 181 H ARG 24 H ARG 24 2.894 -14.460 11.629 182 HA ARG 24 HA ARG 24 2.273 -16.885 13.170 183 HB2 ARG 24 HB2 ARG 24 1.063 -15.441 14.754 184 HB3 ARG 24 HB3 ARG 24 2.760 -15.010 14.621 185 HG2 ARG 24 HG2 ARG 24 1.744 -12.948 14.638 186 HG3 ARG 24 HG3 ARG 24 1.897 -13.250 12.907 187 HD2 ARG 24 HD2 ARG 24 -0.434 -14.126 12.924 188 HD3 ARG 24 HD3 ARG 24 -0.561 -13.636 14.611 189 HE ARG 24 HE ARG 24 0.103 -11.323 13.523 190 HH11 ARG 24 HH11 ARG 24 -2.136 -13.750 12.392 191 HH12 ARG 24 HH12 ARG 24 -3.175 -12.621 11.579 192 HH21 ARG 24 HH21 ARG 24 -1.258 -9.814 12.462 193 HH22 ARG 24 HH22 ARG 24 -2.661 -10.370 11.594 194 H LEU 25 H LEU 25 1.301 -15.546 10.369 195 HA LEU 25 HA LEU 25 -1.519 -16.109 10.894 196 HB2 LEU 25 HB2 LEU 25 -1.908 -14.861 8.741 197 HB3 LEU 25 HB3 LEU 25 -1.419 -13.902 10.107 198 HG LEU 25 HG LEU 25 0.941 -14.010 9.119 199 HD11 LEU 25 HD11 LEU 25 0.532 -15.825 7.524 200 HD12 LEU 25 HD12 LEU 25 1.092 -14.354 6.727 201 HD13 LEU 25 HD13 LEU 25 -0.613 -14.797 6.665 202 HD21 LEU 25 HD21 LEU 25 -0.447 -12.013 9.121 203 HD22 LEU 25 HD22 LEU 25 -1.240 -12.558 7.643 204 HD23 LEU 25 HD23 LEU 25 0.474 -12.143 7.621 205 H GLU 26 H GLU 26 -2.706 -17.240 9.312 206 HA GLU 26 HA GLU 26 -1.373 -19.317 7.931 207 HB2 GLU 26 HB2 GLU 26 -3.852 -18.977 8.835 208 HB3 GLU 26 HB3 GLU 26 -4.119 -18.450 7.187 209 HG2 GLU 26 HG2 GLU 26 -2.864 -21.079 7.884 210 HG3 GLU 26 HG3 GLU 26 -4.598 -20.843 7.703 211 H ILE 27 H ILE 27 -1.186 -19.564 5.679 212 HA ILE 27 HA ILE 27 -0.164 -17.253 4.416 213 HB ILE 27 HB ILE 27 -0.801 -19.955 3.220 214 HG12 ILE 27 HG12 ILE 27 0.787 -20.091 5.067 215 HG13 ILE 27 HG13 ILE 27 1.613 -20.375 3.539 216 HG21 ILE 27 HG21 ILE 27 0.951 -17.741 2.153 217 HG22 ILE 27 HG22 ILE 27 -0.596 -18.257 1.483 218 HG23 ILE 27 HG23 ILE 27 0.785 -19.354 1.455 219 HD11 ILE 27 HD11 ILE 27 2.946 -18.974 4.996 220 HD12 ILE 27 HD12 ILE 27 1.628 -17.806 5.110 221 HD13 ILE 27 HD13 ILE 27 2.439 -18.073 3.566 222 H GLY 28 H GLY 28 -3.305 -18.718 4.415 223 HA2 GLY 28 HA2 GLY 28 -4.377 -17.875 2.009 224 HA3 GLY 28 HA3 GLY 28 -5.295 -18.052 3.492 225 H THR 29 H THR 29 -4.232 -15.999 5.045 226 HA THR 29 HA THR 29 -5.632 -13.801 3.871 227 HB THR 29 HB THR 29 -5.803 -14.129 6.264 228 HG1 THR 29 HG1 THR 29 -5.509 -11.877 5.133 229 HG21 THR 29 HG21 THR 29 -3.595 -15.065 6.717 230 HG22 THR 29 HG22 THR 29 -3.923 -13.693 7.775 231 HG23 THR 29 HG23 THR 29 -2.851 -13.501 6.388 232 H PHE 30 H PHE 30 -2.206 -14.468 4.562 233 HA PHE 30 HA PHE 30 -1.147 -12.053 3.621 234 HB2 PHE 30 HB2 PHE 30 0.166 -13.753 4.827 235 HB3 PHE 30 HB3 PHE 30 0.038 -14.837 3.448 236 HD1 PHE 30 HD1 PHE 30 1.284 -11.454 4.381 237 HD2 PHE 30 HD2 PHE 30 1.715 -14.851 1.851 238 HE1 PHE 30 HE1 PHE 30 3.357 -10.501 3.459 239 HE2 PHE 30 HE2 PHE 30 3.789 -13.901 0.924 240 HZ PHE 30 HZ PHE 30 4.610 -11.722 1.727 241 H ARG 31 H ARG 31 -1.670 -15.101 1.870 242 HA ARG 31 HA ARG 31 -0.739 -14.250 -0.653 243 HB2 ARG 31 HB2 ARG 31 -1.194 -16.612 0.298 244 HB3 ARG 31 HB3 ARG 31 -2.846 -16.358 -0.238 245 HG2 ARG 31 HG2 ARG 31 -2.073 -16.078 -2.524 246 HG3 ARG 31 HG3 ARG 31 -0.403 -16.305 -1.993 247 HD2 ARG 31 HD2 ARG 31 -0.847 -18.540 -1.300 248 HD3 ARG 31 HD3 ARG 31 -2.580 -18.332 -1.536 249 HE ARG 31 HE ARG 31 -1.453 -17.873 -4.002 250 HH11 ARG 31 HH11 ARG 31 -1.433 -20.499 -1.680 251 HH12 ARG 31 HH12 ARG 31 -1.312 -21.740 -2.891 252 HH21 ARG 31 HH21 ARG 31 -1.355 -19.509 -5.601 253 HH22 ARG 31 HH22 ARG 31 -1.312 -21.180 -5.121 254 H HIS 32 H HIS 32 -3.786 -13.898 0.952 255 HA HIS 32 HA HIS 32 -5.620 -13.692 -1.094 256 HB2 HIS 32 HB2 HIS 32 -5.907 -13.608 1.476 257 HB3 HIS 32 HB3 HIS 32 -5.697 -11.873 1.301 258 HD1 HIS 32 HD1 HIS 32 -8.134 -11.582 2.206 259 HD2 HIS 32 HD2 HIS 32 -7.854 -13.613 -1.410 260 HE1 HIS 32 HE1 HIS 32 -10.475 -11.664 1.294 261 HE2 HIS 32 HE2 HIS 32 -10.310 -13.079 -0.783 262 H HIS 33 H HIS 33 -3.276 -11.318 -0.027 263 HA HIS 33 HA HIS 33 -4.024 -9.619 -2.308 264 HB2 HIS 33 HB2 HIS 33 -3.545 -7.602 -0.884 265 HB3 HIS 33 HB3 HIS 33 -4.990 -8.489 -0.413 266 HD1 HIS 33 HD1 HIS 33 -5.124 -9.271 1.955 267 HD2 HIS 33 HD2 HIS 33 -1.293 -8.046 0.896 268 HE1 HIS 33 HE1 HIS 33 -3.779 -9.329 4.082 269 HE2 HIS 33 HE2 HIS 33 -1.525 -8.401 3.446 270 H LYS 34 H LYS 34 -1.951 -11.612 -1.797 271 HA LYS 34 HA LYS 34 0.507 -10.269 -1.188 272 HB2 LYS 34 HB2 LYS 34 0.031 -12.605 -0.557 273 HB3 LYS 34 HB3 LYS 34 -0.026 -13.049 -2.253 274 HG2 LYS 34 HG2 LYS 34 2.443 -11.766 -1.236 275 HG3 LYS 34 HG3 LYS 34 2.112 -13.431 -0.758 276 HD2 LYS 34 HD2 LYS 34 1.791 -13.943 -3.210 277 HD3 LYS 34 HD3 LYS 34 2.423 -12.328 -3.545 278 HE2 LYS 34 HE2 LYS 34 4.466 -12.918 -2.297 279 HE3 LYS 34 HE3 LYS 34 3.838 -14.546 -2.077 280 HZ1 LYS 34 HZ1 LYS 34 3.804 -14.825 -4.478 281 HZ2 LYS 34 HZ2 LYS 34 5.369 -14.461 -3.929 282 HZ3 LYS 34 HZ3 LYS 34 4.436 -13.264 -4.686 283 H SER 35 H SER 35 -1.068 -11.461 -4.110 284 HA SER 35 HA SER 35 1.269 -10.907 -5.729 285 HB2 SER 35 HB2 SER 35 -1.486 -11.822 -6.586 286 HB3 SER 35 HB3 SER 35 -0.007 -11.886 -7.544 287 HG SER 35 HG SER 35 0.838 -13.366 -6.039 288 H CYS 36 H CYS 36 -1.749 -9.423 -4.917 289 HA CYS 36 HA CYS 36 -2.328 -7.885 -7.136 290 HB2 CYS 36 HB2 CYS 36 -3.647 -8.188 -4.956 291 HB3 CYS 36 HB3 CYS 36 -2.671 -6.879 -4.318 292 HG CYS 36 HG CYS 36 -3.512 -5.188 -6.566 293 H MET 37 H MET 37 -0.636 -6.731 -4.242 294 HA MET 37 HA MET 37 -0.074 -4.189 -5.280 295 HB2 MET 37 HB2 MET 37 1.352 -3.871 -3.350 296 HB3 MET 37 HB3 MET 37 -0.122 -4.702 -2.883 297 HG2 MET 37 HG2 MET 37 1.285 -6.030 -1.761 298 HG3 MET 37 HG3 MET 37 1.487 -6.812 -3.328 299 HE1 MET 37 HE1 MET 37 4.417 -3.784 -1.460 300 HE2 MET 37 HE2 MET 37 2.964 -4.403 -0.673 301 HE3 MET 37 HE3 MET 37 2.825 -3.304 -2.045 302 H ARG 38 H ARG 38 1.799 -7.156 -5.447 303 HA ARG 38 HA ARG 38 4.182 -5.860 -6.368 304 HB2 ARG 38 HB2 ARG 38 3.305 -8.720 -6.126 305 HB3 ARG 38 HB3 ARG 38 4.802 -8.291 -6.929 306 HG2 ARG 38 HG2 ARG 38 4.105 -7.594 -4.086 307 HG3 ARG 38 HG3 ARG 38 5.138 -8.937 -4.587 308 HD2 ARG 38 HD2 ARG 38 6.644 -7.283 -5.684 309 HD3 ARG 38 HD3 ARG 38 5.647 -5.991 -5.016 310 HE ARG 38 HE ARG 38 6.303 -7.387 -2.821 311 HH11 ARG 38 HH11 ARG 38 8.217 -6.042 -5.433 312 HH12 ARG 38 HH12 ARG 38 9.674 -5.964 -4.491 313 HH21 ARG 38 HH21 ARG 38 8.227 -7.253 -1.574 314 HH22 ARG 38 HH22 ARG 38 9.680 -6.623 -2.290 315 H LYS 39 H LYS 39 1.316 -7.116 -7.846 316 HA LYS 39 HA LYS 39 2.434 -7.779 -10.362 317 HB2 LYS 39 HB2 LYS 39 0.438 -8.872 -9.635 318 HB3 LYS 39 HB3 LYS 39 -0.388 -7.343 -9.389 319 HG2 LYS 39 HG2 LYS 39 0.530 -7.852 -12.135 320 HG3 LYS 39 HG3 LYS 39 -0.734 -8.931 -11.531 321 HD2 LYS 39 HD2 LYS 39 -0.872 -5.923 -11.365 322 HD3 LYS 39 HD3 LYS 39 -1.564 -6.863 -12.681 323 HE2 LYS 39 HE2 LYS 39 -2.266 -7.211 -9.773 324 HE3 LYS 39 HE3 LYS 39 -3.209 -6.266 -10.921 325 HZ1 LYS 39 HZ1 LYS 39 -2.716 -9.197 -10.984 326 HZ2 LYS 39 HZ2 LYS 39 -3.436 -8.339 -12.256 327 HZ3 LYS 39 HZ3 LYS 39 -4.200 -8.407 -10.745 328 H PHE 40 H PHE 40 1.713 -4.794 -8.935 329 HA PHE 40 HA PHE 40 0.991 -3.274 -11.201 330 HB2 PHE 40 HB2 PHE 40 1.048 -2.630 -8.663 331 HB3 PHE 40 HB3 PHE 40 2.701 -2.138 -9.010 332 HD1 PHE 40 HD1 PHE 40 3.089 -0.385 -10.786 333 HD2 PHE 40 HD2 PHE 40 -0.766 -1.268 -9.229 334 HE1 PHE 40 HE1 PHE 40 2.265 1.778 -11.619 335 HE2 PHE 40 HE2 PHE 40 -1.603 0.893 -10.061 336 HZ PHE 40 HZ PHE 40 -0.083 2.420 -11.257 337 H LYS 41 H LYS 41 3.955 -4.650 -10.130 338 HA LYS 41 HA LYS 41 5.910 -5.043 -11.186 339 HB2 LYS 41 HB2 LYS 41 4.401 -5.267 -13.201 340 HB3 LYS 41 HB3 LYS 41 4.798 -3.600 -13.594 341 HG2 LYS 41 HG2 LYS 41 6.157 -5.126 -14.892 342 HG3 LYS 41 HG3 LYS 41 7.166 -4.213 -13.767 343 HD2 LYS 41 HD2 LYS 41 7.044 -6.167 -12.209 344 HD3 LYS 41 HD3 LYS 41 6.222 -7.064 -13.487 345 HE2 LYS 41 HE2 LYS 41 8.993 -5.882 -13.616 346 HE3 LYS 41 HE3 LYS 41 8.593 -7.592 -13.460 347 HZ1 LYS 41 HZ1 LYS 41 7.397 -7.336 -15.644 348 HZ2 LYS 41 HZ2 LYS 41 9.087 -7.232 -15.711 349 HZ3 LYS 41 HZ3 LYS 41 8.149 -5.820 -15.795 350 H GLU 42 H GLU 42 5.367 -2.513 -9.715 351 HA GLU 42 HA GLU 42 7.164 -0.597 -10.880 352 HB2 GLU 42 HB2 GLU 42 5.976 -0.843 -8.114 353 HB3 GLU 42 HB3 GLU 42 7.018 0.479 -8.613 354 HG2 GLU 42 HG2 GLU 42 4.386 -0.223 -9.885 355 HG3 GLU 42 HG3 GLU 42 4.638 1.059 -8.700 356 H TYR 43 H TYR 43 9.285 -0.159 -10.234 357 HA TYR 43 HA TYR 43 10.660 -2.559 -9.318 358 HB2 TYR 43 HB2 TYR 43 11.835 0.004 -10.413 359 HB3 TYR 43 HB3 TYR 43 12.687 -1.516 -10.164 360 HD1 TYR 43 HD1 TYR 43 11.414 -3.588 -11.387 361 HD2 TYR 43 HD2 TYR 43 11.272 0.490 -12.585 362 HE1 TYR 43 HE1 TYR 43 10.847 -4.285 -13.676 363 HE2 TYR 43 HE2 TYR 43 10.701 -0.195 -14.877 364 HH TYR 43 HH TYR 43 11.031 -2.234 -16.325 365 H CYS 44 H CYS 44 11.386 0.879 -8.762 366 HA CYS 44 HA CYS 44 11.410 0.398 -5.888 367 HB2 CYS 44 HB2 CYS 44 13.823 1.453 -7.378 368 HB3 CYS 44 HB3 CYS 44 13.667 1.347 -5.626 369 HG CYS 44 HG CYS 44 13.037 -1.622 -6.714 370 H GLU 45 H GLU 45 9.597 1.818 -5.895 371 HA GLU 45 HA GLU 45 10.085 4.556 -6.697 372 HB2 GLU 45 HB2 GLU 45 7.786 5.001 -6.180 373 HB3 GLU 45 HB3 GLU 45 7.867 3.501 -7.079 374 HG2 GLU 45 HG2 GLU 45 7.545 3.691 -4.096 375 HG3 GLU 45 HG3 GLU 45 6.223 3.500 -5.239 376 H GLY 46 H GLY 46 11.183 5.874 -5.453 377 HA2 GLY 46 HA2 GLY 46 11.015 5.508 -2.521 378 HA3 GLY 46 HA3 GLY 46 12.459 6.062 -3.355 379 H LEU 47 H LEU 47 9.066 6.904 -2.846 380 HA LEU 47 HA LEU 47 9.719 9.703 -3.314 381 HB2 LEU 47 HB2 LEU 47 7.397 10.109 -3.664 382 HB3 LEU 47 HB3 LEU 47 7.871 8.718 -4.604 383 HG LEU 47 HG LEU 47 5.676 8.350 -3.759 384 HD11 LEU 47 HD11 LEU 47 5.928 6.303 -2.450 385 HD12 LEU 47 HD12 LEU 47 7.627 6.697 -2.184 386 HD13 LEU 47 HD13 LEU 47 7.041 6.376 -3.815 387 HD21 LEU 47 HD21 LEU 47 6.739 8.883 -0.999 388 HD22 LEU 47 HD22 LEU 47 5.125 8.282 -1.376 389 HD23 LEU 47 HD23 LEU 47 5.615 9.891 -1.911 390 H GLN 48 H GLN 48 8.525 11.343 -1.924 391 HA GLN 48 HA GLN 48 8.858 10.505 0.867 392 HB2 GLN 48 HB2 GLN 48 9.662 13.076 -0.485 393 HB3 GLN 48 HB3 GLN 48 9.653 12.852 1.254 394 HG2 GLN 48 HG2 GLN 48 11.320 11.358 -0.747 395 HG3 GLN 48 HG3 GLN 48 11.883 12.546 0.428 396 HE21 GLN 48 HE21 GLN 48 12.621 9.731 0.014 397 HE22 GLN 48 HE22 GLN 48 12.342 8.954 1.532 398 H PHE 49 H PHE 49 8.154 13.010 1.962 399 HA PHE 49 HA PHE 49 5.535 12.353 2.587 400 HB2 PHE 49 HB2 PHE 49 5.497 14.327 3.962 401 HB3 PHE 49 HB3 PHE 49 7.088 13.593 4.053 402 HD1 PHE 49 HD1 PHE 49 8.954 14.610 2.648 403 HD2 PHE 49 HD2 PHE 49 5.249 16.568 3.388 404 HE1 PHE 49 HE1 PHE 49 9.984 16.771 2.078 405 HE2 PHE 49 HE2 PHE 49 6.271 18.729 2.815 406 HZ PHE 49 HZ PHE 49 8.640 18.835 2.160 407 H HIS 50 H HIS 50 6.662 14.916 0.378 408 HA HIS 50 HA HIS 50 3.964 15.908 0.092 409 HB2 HIS 50 HB2 HIS 50 5.983 17.393 -0.050 410 HB3 HIS 50 HB3 HIS 50 6.370 16.635 -1.591 411 HD1 HIS 50 HD1 HIS 50 5.711 18.105 -3.456 412 HD2 HIS 50 HD2 HIS 50 3.033 18.348 -0.279 413 HE1 HIS 50 HE1 HIS 50 3.906 19.694 -4.206 414 HE2 HIS 50 HE2 HIS 50 2.208 19.683 -2.338 415 H GLU 51 H GLU 51 5.841 13.472 -1.364 416 HA GLU 51 HA GLU 51 4.293 13.409 -3.808 417 HB2 GLU 51 HB2 GLU 51 6.354 11.530 -2.657 418 HB3 GLU 51 HB3 GLU 51 5.487 11.201 -4.148 419 HG2 GLU 51 HG2 GLU 51 7.635 12.098 -4.673 420 HG3 GLU 51 HG3 GLU 51 6.404 13.281 -5.102 421 H LEU 52 H LEU 52 4.479 11.685 -0.738 422 HA LEU 52 HA LEU 52 2.259 9.964 -1.444 423 HB2 LEU 52 HB2 LEU 52 4.286 9.501 0.190 424 HB3 LEU 52 HB3 LEU 52 3.240 10.274 1.362 425 HG LEU 52 HG LEU 52 3.042 7.850 1.484 426 HD11 LEU 52 HD11 LEU 52 1.074 9.159 2.029 427 HD12 LEU 52 HD12 LEU 52 0.624 7.633 1.272 428 HD13 LEU 52 HD13 LEU 52 0.570 9.130 0.341 429 HD21 LEU 52 HD21 LEU 52 2.114 6.561 -0.362 430 HD22 LEU 52 HD22 LEU 52 3.634 7.327 -0.820 431 HD23 LEU 52 HD23 LEU 52 2.103 8.005 -1.374 432 H THR 53 H THR 53 0.716 11.540 -1.916 433 HA THR 53 HA THR 53 -0.489 12.777 0.458 434 HB THR 53 HB THR 53 -1.269 14.582 -1.255 435 HG1 THR 53 HG1 THR 53 1.185 14.100 -2.528 436 HG21 THR 53 HG21 THR 53 0.219 15.042 0.632 437 HG22 THR 53 HG22 THR 53 0.726 15.934 -0.801 438 HG23 THR 53 HG23 THR 53 1.599 14.481 -0.312 439 H GLU 54 H GLU 54 -2.836 13.477 -0.129 440 HA GLU 54 HA GLU 54 -4.371 11.251 -0.782 441 HB2 GLU 54 HB2 GLU 54 -5.328 13.054 0.482 442 HB3 GLU 54 HB3 GLU 54 -5.027 14.202 -0.813 443 HG2 GLU 54 HG2 GLU 54 -6.791 11.898 -1.410 444 HG3 GLU 54 HG3 GLU 54 -7.419 13.162 -0.355 445 H ASP 55 H ASP 55 -3.294 13.946 -2.775 446 HA ASP 55 HA ASP 55 -4.571 13.367 -5.161 447 HB2 ASP 55 HB2 ASP 55 -3.326 15.421 -4.852 448 HB3 ASP 55 HB3 ASP 55 -1.819 14.526 -4.678 449 H PHE 56 H PHE 56 -1.609 11.986 -3.819 450 HA PHE 56 HA PHE 56 -0.888 10.515 -6.140 451 HB2 PHE 56 HB2 PHE 56 0.738 11.052 -4.378 452 HB3 PHE 56 HB3 PHE 56 -0.144 10.033 -3.246 453 HD1 PHE 56 HD2 PHE 56 1.890 10.022 -6.323 454 HD2 PHE 56 HD1 PHE 56 0.174 7.684 -3.207 455 HE1 PHE 56 HE2 PHE 56 3.244 8.093 -7.027 456 HE2 PHE 56 HE1 PHE 56 1.526 5.751 -3.908 457 HZ PHE 56 HZ PHE 56 3.061 5.953 -5.824 458 H LEU 57 H LEU 57 -2.535 9.608 -3.119 459 HA LEU 57 HA LEU 57 -3.041 6.933 -3.726 460 HB2 LEU 57 HB2 LEU 57 -4.384 8.961 -1.977 461 HB3 LEU 57 HB3 LEU 57 -5.136 7.395 -2.215 462 HG LEU 57 HG LEU 57 -3.825 7.497 -0.145 463 HD11 LEU 57 HD11 LEU 57 -2.714 5.637 -2.237 464 HD12 LEU 57 HD12 LEU 57 -4.119 5.350 -1.208 465 HD13 LEU 57 HD13 LEU 57 -2.509 5.446 -0.494 466 HD21 LEU 57 HD21 LEU 57 -1.442 7.861 -1.946 467 HD22 LEU 57 HD22 LEU 57 -1.393 7.587 -0.205 468 HD23 LEU 57 HD23 LEU 57 -2.101 9.070 -0.846 469 H ARG 58 H ARG 58 -4.907 9.843 -4.434 470 HA ARG 58 HA ARG 58 -7.089 8.543 -5.664 471 HB2 ARG 58 HB2 ARG 58 -7.105 10.884 -4.830 472 HB3 ARG 58 HB3 ARG 58 -6.036 11.336 -6.150 473 HG2 ARG 58 HG2 ARG 58 -7.742 10.715 -7.765 474 HG3 ARG 58 HG3 ARG 58 -8.815 10.223 -6.454 475 HD2 ARG 58 HD2 ARG 58 -8.823 12.509 -5.596 476 HD3 ARG 58 HD3 ARG 58 -7.733 13.007 -6.888 477 HE ARG 58 HE ARG 58 -9.902 11.877 -8.148 478 HH11 ARG 58 HH11 ARG 58 -9.422 14.544 -5.915 479 HH12 ARG 58 HH12 ARG 58 -10.766 15.453 -6.543 480 HH21 ARG 58 HH21 ARG 58 -11.633 13.109 -8.980 481 HH22 ARG 58 HH22 ARG 58 -12.002 14.655 -8.268 482 H ASP 59 H ASP 59 -4.160 10.049 -6.995 483 HA ASP 59 HA ASP 59 -4.706 9.617 -9.710 484 HB2 ASP 59 HB2 ASP 59 -2.935 11.117 -8.979 485 HB3 ASP 59 HB3 ASP 59 -2.039 9.770 -8.288 486 H TYR 60 H TYR 60 -2.998 7.611 -7.366 487 HA TYR 60 HA TYR 60 -2.150 5.586 -9.120 488 HB2 TYR 60 HB2 TYR 60 -1.770 6.144 -6.478 489 HB3 TYR 60 HB3 TYR 60 -2.867 4.773 -6.366 490 HD1 TYR 60 HD2 TYR 60 0.218 5.754 -8.241 491 HD2 TYR 60 HD1 TYR 60 -1.905 2.685 -6.195 492 HE1 TYR 60 HE2 TYR 60 2.127 4.237 -8.543 493 HE2 TYR 60 HE1 TYR 60 0.002 1.161 -6.490 494 HH TYR 60 HH TYR 60 3.074 2.279 -7.682 495 H LEU 61 H LEU 61 -5.079 5.991 -7.213 496 HA LEU 61 HA LEU 61 -6.302 3.523 -7.812 497 HB2 LEU 61 HB2 LEU 61 -7.041 4.838 -5.967 498 HB3 LEU 61 HB3 LEU 61 -7.385 6.211 -6.993 499 HG LEU 61 HG LEU 61 -9.197 4.829 -8.068 500 HD11 LEU 61 HD11 LEU 61 -8.655 3.026 -5.716 501 HD12 LEU 61 HD12 LEU 61 -8.417 2.625 -7.417 502 HD13 LEU 61 HD13 LEU 61 -10.043 2.917 -6.800 503 HD21 LEU 61 HD21 LEU 61 -9.404 5.444 -5.125 504 HD22 LEU 61 HD22 LEU 61 -10.773 5.146 -6.194 505 HD23 LEU 61 HD23 LEU 61 -9.735 6.547 -6.460 506 H ILE 62 H ILE 62 -6.680 6.742 -9.244 507 HA ILE 62 HA ILE 62 -8.542 6.000 -11.227 508 HB ILE 62 HB ILE 62 -6.556 8.277 -11.251 509 HG12 ILE 62 HG12 ILE 62 -9.487 8.201 -10.503 510 HG13 ILE 62 HG13 ILE 62 -8.151 8.303 -9.361 511 HG21 ILE 62 HG21 ILE 62 -8.998 7.828 -12.966 512 HG22 ILE 62 HG22 ILE 62 -7.320 7.787 -13.511 513 HG23 ILE 62 HG23 ILE 62 -8.025 9.299 -12.935 514 HD11 ILE 62 HD11 ILE 62 -9.172 10.469 -9.697 515 HD12 ILE 62 HD12 ILE 62 -8.875 10.362 -11.433 516 HD13 ILE 62 HD13 ILE 62 -7.519 10.465 -10.312 517 H TYR 63 H TYR 63 -5.003 6.267 -11.333 518 HA TYR 63 HA TYR 63 -4.614 5.677 -14.039 519 HB2 TYR 63 HB2 TYR 63 -2.881 6.532 -12.459 520 HB3 TYR 63 HB3 TYR 63 -2.817 4.941 -11.716 521 HD1 TYR 63 HD2 TYR 63 -2.183 6.787 -14.858 522 HD2 TYR 63 HD1 TYR 63 -1.465 3.232 -12.634 523 HE1 TYR 63 HE2 TYR 63 -0.450 6.132 -16.472 524 HE2 TYR 63 HE1 TYR 63 0.271 2.568 -14.242 525 HH TYR 63 HH TYR 63 1.471 4.744 -16.635 526 H MET 64 H MET 64 -5.019 3.589 -11.255 527 HA MET 64 HA MET 64 -4.407 1.107 -12.369 528 HB2 MET 64 HB2 MET 64 -4.920 1.729 -9.941 529 HB3 MET 64 HB3 MET 64 -6.616 1.607 -10.377 530 HG2 MET 64 HG2 MET 64 -6.282 -0.473 -9.560 531 HG3 MET 64 HG3 MET 64 -5.863 -0.763 -11.246 532 HE1 MET 64 HE1 MET 64 -2.694 0.017 -7.980 533 HE2 MET 64 HE2 MET 64 -4.432 0.076 -7.677 534 HE3 MET 64 HE3 MET 64 -3.675 1.285 -8.715 535 H LYS 65 H LYS 65 -7.462 2.881 -12.264 536 HA LYS 65 HA LYS 65 -8.917 0.800 -13.622 537 HB2 LYS 65 HB2 LYS 65 -9.821 2.440 -11.866 538 HB3 LYS 65 HB3 LYS 65 -9.847 3.633 -13.154 539 HG2 LYS 65 HG2 LYS 65 -11.280 1.009 -13.410 540 HG3 LYS 65 HG3 LYS 65 -12.017 2.402 -12.620 541 HD2 LYS 65 HD2 LYS 65 -11.748 3.711 -14.659 542 HD3 LYS 65 HD3 LYS 65 -10.970 2.339 -15.448 543 HE2 LYS 65 HE2 LYS 65 -13.037 1.025 -15.135 544 HE3 LYS 65 HE3 LYS 65 -13.808 2.450 -14.436 545 HZ1 LYS 65 HZ1 LYS 65 -14.361 2.188 -16.777 546 HZ2 LYS 65 HZ2 LYS 65 -12.719 2.251 -17.192 547 HZ3 LYS 65 HZ3 LYS 65 -13.478 3.614 -16.522 548 H LYS 66 H LYS 66 -7.528 3.927 -14.465 549 HA LYS 66 HA LYS 66 -8.754 4.065 -17.038 550 HB2 LYS 66 HB2 LYS 66 -8.121 6.078 -15.866 551 HB3 LYS 66 HB3 LYS 66 -6.441 5.571 -15.814 552 HG2 LYS 66 HG2 LYS 66 -6.845 7.304 -17.491 553 HG3 LYS 66 HG3 LYS 66 -6.258 5.805 -18.210 554 HD2 LYS 66 HD2 LYS 66 -8.470 5.228 -18.946 555 HD3 LYS 66 HD3 LYS 66 -9.162 6.605 -18.087 556 HE2 LYS 66 HE2 LYS 66 -8.918 6.966 -20.530 557 HE3 LYS 66 HE3 LYS 66 -8.062 8.151 -19.546 558 HZ1 LYS 66 HZ1 LYS 66 -6.780 7.299 -21.480 559 HZ2 LYS 66 HZ2 LYS 66 -6.763 5.765 -20.751 560 HZ3 LYS 66 HZ3 LYS 66 -5.999 7.077 -19.988 561 H THR 67 H THR 67 -5.316 3.686 -16.144 562 HA THR 67 HA THR 67 -4.651 2.992 -18.853 563 HB THR 67 HB THR 67 -2.872 2.945 -16.417 564 HG1 THR 67 HG1 THR 67 -3.531 5.044 -18.243 565 HG21 THR 67 HG21 THR 67 -2.247 3.208 -19.365 566 HG22 THR 67 HG22 THR 67 -1.936 1.788 -18.366 567 HG23 THR 67 HG23 THR 67 -1.070 3.294 -18.056 568 H LEU 68 H LEU 68 -4.640 1.303 -15.724 569 HA LEU 68 HA LEU 68 -3.730 -1.141 -16.971 570 HB2 LEU 68 HB2 LEU 68 -4.572 -0.552 -14.136 571 HB3 LEU 68 HB3 LEU 68 -3.906 -2.077 -14.678 572 HG LEU 68 HG LEU 68 -2.480 0.583 -14.669 573 HD11 LEU 68 HD11 LEU 68 -2.058 -1.904 -13.021 574 HD12 LEU 68 HD12 LEU 68 -2.756 -0.389 -12.451 575 HD13 LEU 68 HD13 LEU 68 -1.072 -0.443 -12.968 576 HD21 LEU 68 HD21 LEU 68 -1.814 -0.822 -16.572 577 HD22 LEU 68 HD22 LEU 68 -1.447 -2.140 -15.458 578 HD23 LEU 68 HD23 LEU 68 -0.516 -0.642 -15.390 579 H CYS 69 H CYS 69 -6.714 0.332 -16.253 580 HA CYS 69 HA CYS 69 -8.868 -0.265 -16.595 581 HB2 CYS 69 HB2 CYS 69 -7.639 -2.617 -18.051 582 HB3 CYS 69 HB3 CYS 69 -9.342 -2.174 -18.103 583 HG CYS 69 HG CYS 69 -7.411 0.396 -18.921 584 H ASN 70 H ASN 70 -7.389 -1.163 -14.220 585 HA ASN 70 HA ASN 70 -8.745 -3.655 -13.513 586 HB2 ASN 70 HB2 ASN 70 -6.687 -1.955 -12.101 587 HB3 ASN 70 HB3 ASN 70 -7.546 -3.246 -11.271 588 HD21 ASN 70 HD21 ASN 70 -6.545 -3.348 -14.638 589 HD22 ASN 70 HD22 ASN 70 -5.369 -4.604 -14.443 590 H ALA 71 H ALA 71 -9.983 -3.743 -11.476 591 HA ALA 71 HA ALA 71 -11.904 -1.599 -11.438 592 HB1 ALA 71 HB1 ALA 71 -12.636 -3.919 -11.260 593 HB2 ALA 71 HB2 ALA 71 -13.113 -2.999 -9.833 594 HB3 ALA 71 HB3 ALA 71 -11.737 -4.097 -9.753 595 H ASP 72 H ASP 72 -12.605 -0.554 -9.417 596 HA ASP 72 HA ASP 72 -10.461 0.646 -8.045 597 HB2 ASP 72 HB2 ASP 72 -12.144 1.655 -6.584 598 HB3 ASP 72 HB3 ASP 72 -12.648 1.753 -8.260 599 H SER 73 H SER 73 -12.557 -2.064 -7.254 600 HA SER 73 HA SER 73 -11.805 -2.505 -4.618 601 HB2 SER 73 HB2 SER 73 -12.368 -4.641 -6.689 602 HB3 SER 73 HB3 SER 73 -12.575 -4.775 -4.942 603 HG SER 73 HG SER 73 -14.060 -2.857 -5.290 604 H THR 74 H THR 74 -10.329 -3.713 -7.614 605 HA THR 74 HA THR 74 -8.240 -5.189 -6.476 606 HB THR 74 HB THR 74 -8.096 -3.681 -9.093 607 HG1 THR 74 HG1 THR 74 -9.318 -6.206 -8.542 608 HG21 THR 74 HG21 THR 74 -6.916 -6.324 -8.224 609 HG22 THR 74 HG22 THR 74 -6.030 -4.804 -8.370 610 HG23 THR 74 HG23 THR 74 -6.720 -5.568 -9.805 611 H ALA 75 H ALA 75 -8.372 -1.825 -7.591 612 HA ALA 75 HA ALA 75 -5.717 -1.124 -7.035 613 HB1 ALA 75 HB1 ALA 75 -6.483 1.179 -7.153 614 HB2 ALA 75 HB2 ALA 75 -8.158 0.648 -7.003 615 HB3 ALA 75 HB3 ALA 75 -7.219 0.216 -8.432 616 H GLN 76 H GLN 76 -8.629 -0.991 -5.043 617 HA GLN 76 HA GLN 76 -7.578 0.372 -2.850 618 HB2 GLN 76 HB2 GLN 76 -9.841 -1.570 -3.211 619 HB3 GLN 76 HB3 GLN 76 -9.468 -0.874 -1.647 620 HG2 GLN 76 HG2 GLN 76 -9.961 0.817 -4.065 621 HG3 GLN 76 HG3 GLN 76 -11.275 0.262 -3.032 622 HE21 GLN 76 HE21 GLN 76 -10.406 2.954 -3.580 623 HE22 GLN 76 HE22 GLN 76 -10.011 3.660 -2.055 624 H ARG 77 H ARG 77 -7.487 -3.042 -3.715 625 HA ARG 77 HA ARG 77 -6.469 -3.959 -1.217 626 HB2 ARG 77 HB2 ARG 77 -6.016 -5.257 -3.910 627 HB3 ARG 77 HB3 ARG 77 -5.976 -6.032 -2.331 628 HG2 ARG 77 HG2 ARG 77 -8.361 -4.976 -3.811 629 HG3 ARG 77 HG3 ARG 77 -8.015 -6.641 -3.336 630 HD2 ARG 77 HD2 ARG 77 -8.324 -6.116 -1.033 631 HD3 ARG 77 HD3 ARG 77 -8.420 -4.392 -1.378 632 HE ARG 77 HE ARG 77 -10.443 -6.308 -2.355 633 HH11 ARG 77 HH11 ARG 77 -9.579 -3.353 -0.697 634 HH12 ARG 77 HH12 ARG 77 -11.211 -2.755 -0.624 635 HH21 ARG 77 HH21 ARG 77 -12.593 -5.524 -2.283 636 HH22 ARG 77 HH22 ARG 77 -12.919 -3.994 -1.521 637 H ASN 78 H ASN 78 -4.989 -2.994 -4.261 638 HA ASN 78 HA ASN 78 -2.309 -3.395 -3.547 639 HB2 ASN 78 HB2 ASN 78 -3.360 -2.877 -5.835 640 HB3 ASN 78 HB3 ASN 78 -3.284 -1.189 -5.349 641 HD21 ASN 78 HD21 ASN 78 -1.971 -2.739 -7.479 642 HD22 ASN 78 HD22 ASN 78 -0.285 -2.428 -7.282 643 H LEU 79 H LEU 79 -4.397 -0.560 -3.281 644 HA LEU 79 HA LEU 79 -2.458 1.176 -2.191 645 HB2 LEU 79 HB2 LEU 79 -5.468 1.245 -2.051 646 HB3 LEU 79 HB3 LEU 79 -4.433 2.537 -1.485 647 HG LEU 79 HG LEU 79 -4.573 1.565 -4.339 648 HD11 LEU 79 HD11 LEU 79 -6.629 2.691 -3.619 649 HD12 LEU 79 HD12 LEU 79 -5.730 3.657 -4.789 650 HD13 LEU 79 HD13 LEU 79 -5.674 4.072 -3.076 651 HD21 LEU 79 HD21 LEU 79 -3.155 3.928 -3.113 652 HD22 LEU 79 HD22 LEU 79 -3.250 3.559 -4.836 653 HD23 LEU 79 HD23 LEU 79 -2.387 2.473 -3.748 654 H SER 80 H SER 80 -4.616 -1.159 -0.703 655 HA SER 80 HA SER 80 -4.470 -0.135 1.917 656 HB2 SER 80 HB2 SER 80 -5.344 -2.285 2.660 657 HB3 SER 80 HB3 SER 80 -6.197 -1.747 1.215 658 HG SER 80 HG SER 80 -4.559 -3.135 0.077 659 H THR 81 H THR 81 -2.196 -1.986 0.072 660 HA THR 81 HA THR 81 -0.686 -2.880 2.338 661 HB THR 81 HB THR 81 1.059 -3.505 0.772 662 HG1 THR 81 HG1 THR 81 -0.494 -2.291 -1.298 663 HG21 THR 81 HG21 THR 81 -0.842 -5.008 0.968 664 HG22 THR 81 HG22 THR 81 -0.209 -5.027 -0.678 665 HG23 THR 81 HG23 THR 81 -1.688 -4.136 -0.312 666 H ILE 82 H ILE 82 -0.550 -0.179 0.087 667 HA ILE 82 HA ILE 82 1.761 1.088 1.033 668 HB ILE 82 HB ILE 82 -0.716 2.397 -0.114 669 HG12 ILE 82 HG12 ILE 82 1.784 1.494 -1.556 670 HG13 ILE 82 HG13 ILE 82 0.293 0.564 -1.515 671 HG21 ILE 82 HG21 ILE 82 0.803 4.192 -0.786 672 HG22 ILE 82 HG22 ILE 82 2.140 3.360 0.009 673 HG23 ILE 82 HG23 ILE 82 0.794 3.983 0.965 674 HD11 ILE 82 HD11 ILE 82 -0.875 2.381 -2.645 675 HD12 ILE 82 HD12 ILE 82 0.509 1.819 -3.584 676 HD13 ILE 82 HD13 ILE 82 0.617 3.323 -2.669 677 H LYS 83 H LYS 83 -1.551 1.076 2.162 678 HA LYS 83 HA LYS 83 -1.599 3.106 4.013 679 HB2 LYS 83 HB2 LYS 83 -2.809 0.357 4.034 680 HB3 LYS 83 HB3 LYS 83 -3.098 1.498 5.336 681 HG2 LYS 83 HG2 LYS 83 -3.708 2.023 2.438 682 HG3 LYS 83 HG3 LYS 83 -4.884 1.477 3.637 683 HD2 LYS 83 HD2 LYS 83 -4.492 3.478 4.956 684 HD3 LYS 83 HD3 LYS 83 -3.276 4.023 3.803 685 HE2 LYS 83 HE2 LYS 83 -5.391 5.169 3.425 686 HE3 LYS 83 HE3 LYS 83 -4.992 4.133 2.054 687 HZ1 LYS 83 HZ1 LYS 83 -7.351 4.034 2.779 688 HZ2 LYS 83 HZ2 LYS 83 -6.842 3.331 4.237 689 HZ3 LYS 83 HZ3 LYS 83 -6.574 2.530 2.766 690 H ILE 84 H ILE 84 -0.297 -0.156 4.434 691 HA ILE 84 HA ILE 84 0.396 0.070 7.138 692 HB ILE 84 HB ILE 84 1.760 -1.548 4.976 693 HG12 ILE 84 HG12 ILE 84 -0.616 -2.088 5.220 694 HG13 ILE 84 HG13 ILE 84 0.384 -3.406 5.815 695 HG21 ILE 84 HG21 ILE 84 3.220 -1.313 6.883 696 HG22 ILE 84 HG22 ILE 84 2.574 -2.954 6.829 697 HG23 ILE 84 HG23 ILE 84 1.917 -1.785 7.974 698 HD11 ILE 84 HD11 ILE 84 -0.026 -2.698 8.106 699 HD12 ILE 84 HD12 ILE 84 -1.539 -2.997 7.251 700 HD13 ILE 84 HD13 ILE 84 -0.992 -1.345 7.521 701 H TYR 85 H TYR 85 2.220 0.878 4.210 702 HA TYR 85 HA TYR 85 4.640 1.550 5.531 703 HB2 TYR 85 HB2 TYR 85 4.741 1.063 3.192 704 HB3 TYR 85 HB3 TYR 85 3.525 2.277 2.821 705 HD1 TYR 85 HD2 TYR 85 6.951 1.971 4.272 706 HD2 TYR 85 HD1 TYR 85 4.205 4.361 2.070 707 HE1 TYR 85 HE2 TYR 85 8.730 3.613 3.850 708 HE2 TYR 85 HE1 TYR 85 5.977 6.013 1.642 709 HH TYR 85 HH TYR 85 8.078 6.719 2.476 710 H VAL 86 H VAL 86 1.974 3.493 4.269 711 HA VAL 86 HA VAL 86 2.929 6.006 5.056 712 HB VAL 86 HB VAL 86 0.073 5.064 4.757 713 HG11 VAL 86 HG11 VAL 86 0.154 7.144 5.999 714 HG12 VAL 86 HG12 VAL 86 -0.433 7.455 4.364 715 HG13 VAL 86 HG13 VAL 86 1.231 7.851 4.795 716 HG21 VAL 86 HG21 VAL 86 0.221 6.010 2.506 717 HG22 VAL 86 HG22 VAL 86 1.395 4.712 2.742 718 HG23 VAL 86 HG23 VAL 86 1.920 6.396 2.780 719 H SER 87 H SER 87 0.642 3.816 6.657 720 HA SER 87 HA SER 87 0.179 5.364 8.930 721 HB2 SER 87 HB2 SER 87 -0.182 2.514 8.170 722 HB3 SER 87 HB3 SER 87 -0.296 2.914 9.887 723 HG SER 87 HG SER 87 -1.659 4.699 8.390 724 H ALA 88 H ALA 88 2.667 2.878 8.342 725 HA ALA 88 HA ALA 88 3.766 2.948 10.944 726 HB1 ALA 88 HB1 ALA 88 5.724 1.882 9.975 727 HB2 ALA 88 HB2 ALA 88 5.167 2.292 8.353 728 HB3 ALA 88 HB3 ALA 88 4.250 1.151 9.336 729 H ALA 89 H ALA 89 4.359 4.832 8.039 730 HA ALA 89 HA ALA 89 6.576 6.288 9.067 731 HB1 ALA 89 HB1 ALA 89 6.292 7.732 7.136 732 HB2 ALA 89 HB2 ALA 89 4.713 7.013 6.814 733 HB3 ALA 89 HB3 ALA 89 6.175 6.036 6.665 734 H ILE 90 H ILE 90 3.141 6.637 9.347 735 HA ILE 90 HA ILE 90 3.309 9.336 10.338 736 HB ILE 90 HB ILE 90 1.015 7.366 10.422 737 HG12 ILE 90 HG12 ILE 90 1.491 9.750 8.616 738 HG13 ILE 90 HG13 ILE 90 1.733 8.069 8.150 739 HG21 ILE 90 HG21 ILE 90 0.785 9.008 12.195 740 HG22 ILE 90 HG22 ILE 90 -0.396 9.318 10.921 741 HG23 ILE 90 HG23 ILE 90 1.051 10.318 11.043 742 HD11 ILE 90 HD11 ILE 90 -0.640 7.633 8.490 743 HD12 ILE 90 HD12 ILE 90 -0.379 8.920 7.314 744 HD13 ILE 90 HD13 ILE 90 -0.884 9.316 8.957 745 H LYS 91 H LYS 91 3.130 6.096 11.666 746 HA LYS 91 HA LYS 91 2.641 6.871 14.353 747 HB2 LYS 91 HB2 LYS 91 2.175 4.596 13.538 748 HB3 LYS 91 HB3 LYS 91 3.893 4.338 13.261 749 HG2 LYS 91 HG2 LYS 91 4.287 4.607 15.687 750 HG3 LYS 91 HG3 LYS 91 2.543 4.758 15.921 751 HD2 LYS 91 HD2 LYS 91 2.219 2.520 14.994 752 HD3 LYS 91 HD3 LYS 91 3.959 2.363 14.739 753 HE2 LYS 91 HE2 LYS 91 4.328 2.562 17.151 754 HE3 LYS 91 HE3 LYS 91 2.593 2.738 17.405 755 HZ1 LYS 91 HZ1 LYS 91 2.294 0.502 16.469 756 HZ2 LYS 91 HZ2 LYS 91 3.269 0.485 17.857 757 HZ3 LYS 91 HZ3 LYS 91 3.975 0.337 16.324 758 H LYS 92 H LYS 92 5.583 6.000 12.572 759 HA LYS 92 HA LYS 92 7.139 7.819 14.133 760 HB2 LYS 92 HB2 LYS 92 6.952 5.772 15.590 761 HB3 LYS 92 HB3 LYS 92 7.818 4.886 14.342 762 HG2 LYS 92 HG2 LYS 92 9.720 6.427 14.604 763 HG3 LYS 92 HG3 LYS 92 8.851 7.234 15.914 764 HD2 LYS 92 HD2 LYS 92 8.733 5.050 17.088 765 HD3 LYS 92 HD3 LYS 92 9.759 4.367 15.826 766 HE2 LYS 92 HE2 LYS 92 11.094 4.981 17.758 767 HE3 LYS 92 HE3 LYS 92 11.508 5.997 16.377 768 HZ1 LYS 92 HZ1 LYS 92 9.714 6.763 18.618 769 HZ2 LYS 92 HZ2 LYS 92 10.106 7.744 17.295 770 HZ3 LYS 92 HZ3 LYS 92 11.307 7.297 18.401 771 H GLY 93 H GLY 93 6.946 8.246 11.659 772 HA2 GLY 93 HA2 GLY 93 9.411 7.141 10.480 773 HA3 GLY 93 HA3 GLY 93 7.936 7.212 9.531 774 H TYR 94 H TYR 94 7.032 9.335 9.087 775 HA TYR 94 HA TYR 94 8.730 11.640 9.307 776 HB2 TYR 94 HB2 TYR 94 9.782 10.126 7.540 777 HB3 TYR 94 HB3 TYR 94 8.377 10.478 6.548 778 HD1 TYR 94 HD1 TYR 94 11.248 12.086 8.283 779 HD2 TYR 94 HD2 TYR 94 8.284 12.435 5.249 780 HE1 TYR 94 HE1 TYR 94 12.350 14.122 7.446 781 HE2 TYR 94 HE2 TYR 94 9.378 14.467 4.409 782 HH TYR 94 HH TYR 94 10.888 16.258 5.308 783 H MET 95 H MET 95 5.949 10.013 7.966 784 HA MET 95 HA MET 95 4.694 12.311 6.864 785 HB2 MET 95 HB2 MET 95 3.605 9.609 7.666 786 HB3 MET 95 HB3 MET 95 2.675 10.837 6.829 787 HG2 MET 95 HG2 MET 95 5.180 9.550 5.779 788 HG3 MET 95 HG3 MET 95 3.537 9.104 5.325 789 HE1 MET 95 HE1 MET 95 1.904 10.650 3.932 790 HE2 MET 95 HE2 MET 95 2.285 12.309 3.469 791 HE3 MET 95 HE3 MET 95 2.063 11.895 5.168 792 H GLU 96 H GLU 96 3.630 13.876 7.893 793 HA GLU 96 HA GLU 96 3.291 13.687 10.757 794 HB2 GLU 96 HB2 GLU 96 2.693 15.960 8.856 795 HB3 GLU 96 HB3 GLU 96 2.599 16.058 10.608 796 HG2 GLU 96 HG2 GLU 96 5.040 15.417 10.646 797 HG3 GLU 96 HG3 GLU 96 5.036 15.670 8.901 798 H ASN 97 H ASN 97 1.186 13.924 7.913 799 HA ASN 97 HA ASN 97 -1.127 13.563 9.691 800 HB2 ASN 97 HB2 ASN 97 -1.006 15.136 7.108 801 HB3 ASN 97 HB3 ASN 97 -2.466 14.838 8.043 802 HD21 ASN 97 HD21 ASN 97 -2.745 15.889 10.017 803 HD22 ASN 97 HD22 ASN 97 -1.821 17.291 10.443 804 H ASP 98 H ASP 98 -3.026 12.629 8.523 805 HA ASP 98 HA ASP 98 -2.194 10.300 7.021 806 HB2 ASP 98 HB2 ASP 98 -4.813 11.214 8.208 807 HB3 ASP 98 HB3 ASP 98 -4.696 9.792 7.192 808 HA PRO 99 HA PRO 99 -3.541 12.093 3.152 809 HB2 PRO 99 HB2 PRO 99 -3.386 9.493 1.921 810 HB3 PRO 99 HB3 PRO 99 -2.252 10.836 1.783 811 HG2 PRO 99 HG2 PRO 99 -1.676 8.468 3.044 812 HG3 PRO 99 HG3 PRO 99 -0.880 10.010 3.412 813 HD2 PRO 99 HD2 PRO 99 -3.107 8.629 4.866 814 HD3 PRO 99 HD3 PRO 99 -1.703 9.499 5.521 815 H PHE 100 H PHE 100 -4.970 9.109 4.394 816 HA PHE 100 HA PHE 100 -7.154 9.189 2.517 817 HB2 PHE 100 HB2 PHE 100 -7.983 7.198 3.788 818 HB3 PHE 100 HB3 PHE 100 -6.366 7.026 3.124 819 HD1 PHE 100 HD1 PHE 100 -4.416 6.981 4.585 820 HD2 PHE 100 HD2 PHE 100 -8.359 7.229 6.159 821 HE1 PHE 100 HE1 PHE 100 -3.572 6.319 6.798 822 HE2 PHE 100 HE2 PHE 100 -7.518 6.574 8.376 823 HZ PHE 100 HZ PHE 100 -5.124 6.118 8.697 824 H LYS 101 H LYS 101 -6.616 10.123 5.835 825 HA LYS 101 HA LYS 101 -9.072 10.465 6.880 826 HB2 LYS 101 HB2 LYS 101 -6.448 11.688 7.120 827 HB3 LYS 101 HB3 LYS 101 -7.744 12.798 7.517 828 HG2 LYS 101 HG2 LYS 101 -7.385 10.071 8.718 829 HG3 LYS 101 HG3 LYS 101 -6.893 11.592 9.471 830 HD2 LYS 101 HD2 LYS 101 -9.247 12.354 9.343 831 HD3 LYS 101 HD3 LYS 101 -9.690 10.755 8.735 832 HE2 LYS 101 HE2 LYS 101 -9.075 9.711 10.742 833 HE3 LYS 101 HE3 LYS 101 -8.205 11.140 11.292 834 HZ1 LYS 101 HZ1 LYS 101 -10.375 12.305 11.388 835 HZ2 LYS 101 HZ2 LYS 101 -10.283 10.996 12.457 836 HZ3 LYS 101 HZ3 LYS 101 -11.150 10.844 11.008 837 H ASP 102 H ASP 102 -7.451 12.669 4.631 838 HA ASP 102 HA ASP 102 -9.927 14.221 4.434 839 HB2 ASP 102 HB2 ASP 102 -7.036 14.949 4.030 840 HB3 ASP 102 HB3 ASP 102 -8.354 15.973 3.492 841 H PHE 103 H PHE 103 -9.253 11.750 2.995 842 HA PHE 103 HA PHE 103 -8.669 12.381 0.284 843 HB2 PHE 103 HB2 PHE 103 -8.299 10.134 1.359 844 HB3 PHE 103 HB3 PHE 103 -10.041 9.909 1.365 845 HD1 PHE 103 HD1 PHE 103 -7.030 10.051 -0.704 846 HD2 PHE 103 HD2 PHE 103 -11.242 9.424 -0.679 847 HE1 PHE 103 HE1 PHE 103 -6.898 9.082 -2.963 848 HE2 PHE 103 HE2 PHE 103 -11.115 8.461 -2.937 849 HZ PHE 103 HZ PHE 103 -8.940 8.289 -4.080 850 H GLY 104 H GLY 104 -10.115 14.093 -0.083 851 HA2 GLY 104 HA2 GLY 104 -12.026 14.635 -1.412 852 HA3 GLY 104 HA3 GLY 104 -12.839 13.215 -0.765 853 H LEU 105 H LEU 105 -11.621 14.138 1.908 854 HA LEU 105 HA LEU 105 -13.934 15.686 2.736 855 HB2 LEU 105 HB2 LEU 105 -13.146 13.727 4.033 856 HB3 LEU 105 HB3 LEU 105 -11.635 14.558 4.343 857 HG LEU 105 HG LEU 105 -12.920 16.321 5.561 858 HD11 LEU 105 HD11 LEU 105 -15.082 15.966 4.479 859 HD12 LEU 105 HD12 LEU 105 -15.204 15.856 6.236 860 HD13 LEU 105 HD13 LEU 105 -15.210 14.389 5.258 861 HD21 LEU 105 HD21 LEU 105 -11.796 14.531 6.765 862 HD22 LEU 105 HD22 LEU 105 -13.215 13.499 6.583 863 HD23 LEU 105 HD23 LEU 105 -13.307 14.964 7.562 864 H GLU 106 H GLU 106 -10.720 16.206 1.820 865 HA GLU 106 HA GLU 106 -10.186 18.518 3.412 866 HB2 GLU 106 HB2 GLU 106 -8.591 16.827 2.128 867 HB3 GLU 106 HB3 GLU 106 -8.787 17.988 0.826 868 HG2 GLU 106 HG2 GLU 106 -7.922 18.804 3.573 869 HG3 GLU 106 HG3 GLU 106 -6.781 18.267 2.341 870 H HIS 107 H HIS 107 -10.737 20.594 2.997 871 HA HIS 107 HA HIS 107 -12.597 21.013 0.811 872 HB2 HIS 107 HB2 HIS 107 -11.924 22.495 3.315 873 HB3 HIS 107 HB3 HIS 107 -12.711 23.362 2.000 874 HD1 HIS 107 HD1 HIS 107 -13.451 21.300 4.883 875 HD2 HIS 107 HD2 HIS 107 -15.235 22.061 1.200 876 HE1 HIS 107 HE1 HIS 107 -15.839 20.562 5.118 877 HE2 HIS 107 HE2 HIS 107 -16.943 21.208 2.946 878 H HIS 108 H HIS 108 -9.973 20.685 -0.039 879 HA HIS 108 HA HIS 108 -8.746 21.460 -1.765 880 HB2 HIS 108 HB2 HIS 108 -10.819 23.637 -1.750 881 HB3 HIS 108 HB3 HIS 108 -9.462 23.653 -2.870 882 HD1 HIS 108 HD1 HIS 108 -11.237 23.460 -4.810 883 HD2 HIS 108 HD2 HIS 108 -11.046 20.184 -2.250 884 HE1 HIS 108 HE1 HIS 108 -12.442 21.593 -5.995 885 HE2 HIS 108 HE2 HIS 108 -12.171 19.578 -4.498 886 H HIS 109 H HIS 109 -6.977 21.627 -0.394 887 HA HIS 109 HA HIS 109 -6.002 23.989 0.743 888 HB2 HIS 109 HB2 HIS 109 -5.005 21.632 0.813 889 HB3 HIS 109 HB3 HIS 109 -4.360 21.956 -0.789 890 HD1 HIS 109 HD1 HIS 109 -1.947 22.455 -0.611 891 HD2 HIS 109 HD2 HIS 109 -4.078 24.003 2.608 892 HE1 HIS 109 HE1 HIS 109 -0.249 23.620 0.826 893 HE2 HIS 109 HE2 HIS 109 -1.558 24.596 2.743 894 H HIS 110 H HIS 110 -5.433 25.898 -0.165 895 HA HIS 110 HA HIS 110 -6.236 26.568 -2.706 896 HB2 HIS 110 HB2 HIS 110 -5.006 28.669 -2.470 897 HB3 HIS 110 HB3 HIS 110 -5.847 28.249 -0.988 898 HD1 HIS 110 HD1 HIS 110 -4.433 27.872 1.111 899 HD2 HIS 110 HD2 HIS 110 -2.182 28.611 -2.312 900 HE1 HIS 110 HE1 HIS 110 -2.081 28.261 1.912 901 HE2 HIS 110 HE2 HIS 110 -0.728 28.676 -0.169 902 H HIS 111 H HIS 111 -2.993 25.616 -1.727 903 HA HIS 111 HA HIS 111 -2.433 24.226 -4.046 904 HB2 HIS 111 HB2 HIS 111 -2.235 26.935 -4.621 905 HB3 HIS 111 HB3 HIS 111 -0.571 26.479 -4.258 906 HD1 HIS 111 HD1 HIS 111 0.092 24.067 -5.592 907 HD2 HIS 111 HD2 HIS 111 -2.808 26.565 -7.233 908 HE1 HIS 111 HE1 HIS 111 -0.082 23.413 -8.011 909 HE2 HIS 111 HE2 HIS 111 -1.680 25.075 -9.023 910 H HIS 112 H HIS 112 -0.200 26.533 -2.594 911 HA HIS 112 HA HIS 112 0.777 24.408 -0.817 912 HB2 HIS 112 HB2 HIS 112 2.352 24.702 -2.725 913 HB3 HIS 112 HB3 HIS 112 2.540 26.395 -2.276 914 HD1 HIS 112 HD1 HIS 112 4.505 26.846 -0.831 915 HD2 HIS 112 HD2 HIS 112 3.130 22.945 -0.421 916 HE1 HIS 112 HE1 HIS 112 6.085 25.734 0.775 917 HE2 HIS 112 HE2 HIS 112 5.101 23.449 1.174 Start of MODEL 10 1 H1 MET 1 H1 MET 1 16.745 -11.201 8.420 2 H2 MET 1 H2 MET 1 16.179 -11.405 10.004 3 H3 MET 1 H3 MET 1 17.807 -11.007 9.733 4 HA MET 1 HA MET 1 16.694 -9.048 10.457 5 HB2 MET 1 HB2 MET 1 17.020 -8.921 7.448 6 HB3 MET 1 HB3 MET 1 17.096 -7.566 8.567 7 HG2 MET 1 HG2 MET 1 19.116 -8.486 9.564 8 HG3 MET 1 HG3 MET 1 19.026 -9.874 8.485 9 HE1 MET 1 HE1 MET 1 18.457 -6.006 7.853 10 HE2 MET 1 HE2 MET 1 20.041 -5.565 7.217 11 HE3 MET 1 HE3 MET 1 19.885 -6.110 8.888 12 H ASN 2 H ASN 2 14.808 -7.990 10.729 13 HA ASN 2 HA ASN 2 12.498 -8.979 9.203 14 HB2 ASN 2 HB2 ASN 2 12.581 -7.452 11.817 15 HB3 ASN 2 HB3 ASN 2 11.129 -8.065 11.038 16 HD21 ASN 2 HD21 ASN 2 13.944 -8.861 12.893 17 HD22 ASN 2 HD22 ASN 2 13.487 -10.487 13.263 18 H ASN 3 H ASN 3 13.551 -5.935 10.715 19 HA ASN 3 HA ASN 3 12.711 -4.502 8.302 20 HB2 ASN 3 HB2 ASN 3 11.913 -3.700 11.115 21 HB3 ASN 3 HB3 ASN 3 11.628 -2.747 9.664 22 HD21 ASN 3 HD21 ASN 3 10.098 -3.474 8.151 23 HD22 ASN 3 HD22 ASN 3 8.876 -4.613 8.586 24 HA PRO 4 HA PRO 4 16.834 -3.035 9.700 25 HB2 PRO 4 HB2 PRO 4 17.988 -3.008 7.282 26 HB3 PRO 4 HB3 PRO 4 17.809 -4.501 8.211 27 HG2 PRO 4 HG2 PRO 4 16.140 -3.467 5.949 28 HG3 PRO 4 HG3 PRO 4 16.750 -5.109 6.230 29 HD2 PRO 4 HD2 PRO 4 14.208 -4.332 6.834 30 HD3 PRO 4 HD3 PRO 4 15.069 -5.613 7.710 31 H SER 5 H SER 5 14.341 -1.778 7.863 32 HA SER 5 HA SER 5 13.763 0.275 7.090 33 HB2 SER 5 HB2 SER 5 16.077 1.230 8.800 34 HB3 SER 5 HB3 SER 5 14.771 2.233 8.166 35 HG SER 5 HG SER 5 14.680 1.258 10.439 36 H ASP 6 H ASP 6 15.765 -1.368 5.687 37 HA ASP 6 HA ASP 6 17.511 0.590 4.417 38 HB2 ASP 6 HB2 ASP 6 18.127 -1.851 5.145 39 HB3 ASP 6 HB3 ASP 6 17.346 -2.302 3.636 40 H PHE 7 H PHE 7 14.464 -0.129 4.124 41 HA PHE 7 HA PHE 7 14.401 -0.355 1.209 42 HB2 PHE 7 HB2 PHE 7 11.815 -0.671 1.900 43 HB3 PHE 7 HB3 PHE 7 12.963 -1.993 1.761 44 HD1 PHE 7 HD1 PHE 7 13.834 -3.088 3.741 45 HD2 PHE 7 HD2 PHE 7 11.038 0.099 4.048 46 HE1 PHE 7 HE1 PHE 7 13.404 -3.693 6.083 47 HE2 PHE 7 HE2 PHE 7 10.604 -0.501 6.393 48 HZ PHE 7 HZ PHE 7 11.787 -2.403 7.412 49 H LYS 8 H LYS 8 14.431 1.532 0.298 50 HA LYS 8 HA LYS 8 12.748 3.698 1.315 51 HB2 LYS 8 HB2 LYS 8 14.046 5.057 -0.308 52 HB3 LYS 8 HB3 LYS 8 15.034 4.284 0.917 53 HG2 LYS 8 HG2 LYS 8 15.509 2.478 -0.764 54 HG3 LYS 8 HG3 LYS 8 14.737 3.517 -1.967 55 HD2 LYS 8 HD2 LYS 8 17.130 4.250 -0.279 56 HD3 LYS 8 HD3 LYS 8 17.175 3.768 -1.974 57 HE2 LYS 8 HE2 LYS 8 15.795 5.706 -2.554 58 HE3 LYS 8 HE3 LYS 8 15.768 6.189 -0.859 59 HZ1 LYS 8 HZ1 LYS 8 17.426 7.425 -2.085 60 HZ2 LYS 8 HZ2 LYS 8 18.185 5.987 -2.572 61 HZ3 LYS 8 HZ3 LYS 8 18.174 6.428 -0.933 62 H SER 9 H SER 9 12.790 1.229 -0.846 63 HA SER 9 HA SER 9 11.039 2.522 -2.805 64 HB2 SER 9 HB2 SER 9 12.066 -0.313 -2.880 65 HB3 SER 9 HB3 SER 9 11.457 0.654 -4.220 66 HG SER 9 HG SER 9 13.948 0.410 -3.438 67 H PHE 10 H PHE 10 8.886 1.942 -3.073 68 HA PHE 10 HA PHE 10 7.516 0.994 -0.833 69 HB2 PHE 10 HB2 PHE 10 5.510 1.087 -2.153 70 HB3 PHE 10 HB3 PHE 10 6.522 2.450 -2.595 71 HD1 PHE 10 HD1 PHE 10 7.819 2.343 -4.755 72 HD2 PHE 10 HD2 PHE 10 4.789 -0.472 -3.740 73 HE1 PHE 10 HE1 PHE 10 7.623 1.699 -7.120 74 HE2 PHE 10 HE2 PHE 10 4.594 -1.118 -6.104 75 HZ PHE 10 HZ PHE 10 6.012 -0.034 -7.797 76 H HIS 11 H HIS 11 8.444 -0.697 -3.809 77 HA HIS 11 HA HIS 11 7.059 -3.083 -3.220 78 HB2 HIS 11 HB2 HIS 11 8.346 -4.123 -4.998 79 HB3 HIS 11 HB3 HIS 11 7.835 -2.521 -5.503 80 HD1 HIS 11 HD1 HIS 11 9.628 -1.092 -6.505 81 HD2 HIS 11 HD2 HIS 11 11.185 -4.163 -4.165 82 HE1 HIS 11 HE1 HIS 11 12.120 -0.967 -6.782 83 HE2 HIS 11 HE2 HIS 11 13.015 -2.970 -5.541 84 H ASP 12 H ASP 12 10.103 -1.822 -2.191 85 HA ASP 12 HA ASP 12 11.128 -4.340 -1.218 86 HB2 ASP 12 HB2 ASP 12 12.429 -2.205 -2.023 87 HB3 ASP 12 HB3 ASP 12 12.168 -1.659 -0.372 88 H PHE 13 H PHE 13 9.776 -1.363 0.101 89 HA PHE 13 HA PHE 13 9.939 -1.913 2.822 90 HB2 PHE 13 HB2 PHE 13 9.181 0.235 1.542 91 HB3 PHE 13 HB3 PHE 13 7.576 -0.477 1.641 92 HD1 PHE 13 HD1 PHE 13 7.210 -1.492 4.218 93 HD2 PHE 13 HD2 PHE 13 9.520 1.892 3.062 94 HE1 PHE 13 HE1 PHE 13 6.936 -0.542 6.467 95 HE2 PHE 13 HE2 PHE 13 9.249 2.844 5.313 96 HZ PHE 13 HZ PHE 13 7.957 1.629 7.020 97 H VAL 14 H VAL 14 7.244 -2.507 0.578 98 HA VAL 14 HA VAL 14 5.504 -3.740 2.368 99 HB VAL 14 HB VAL 14 5.819 -4.225 -0.602 100 HG11 VAL 14 HG11 VAL 14 4.633 -6.089 0.455 101 HG12 VAL 14 HG12 VAL 14 3.537 -5.119 -0.531 102 HG13 VAL 14 HG13 VAL 14 3.524 -4.954 1.225 103 HG21 VAL 14 HG21 VAL 14 3.951 -2.445 0.960 104 HG22 VAL 14 HG22 VAL 14 3.889 -2.707 -0.783 105 HG23 VAL 14 HG23 VAL 14 5.291 -1.921 -0.057 106 H ALA 15 H ALA 15 7.949 -5.212 0.238 107 HA ALA 15 HA ALA 15 7.387 -7.879 0.832 108 HB1 ALA 15 HB1 ALA 15 8.777 -7.173 -1.052 109 HB2 ALA 15 HB2 ALA 15 9.591 -8.382 -0.058 110 HB3 ALA 15 HB3 ALA 15 10.047 -6.682 0.068 111 H SER 16 H SER 16 9.264 -5.516 2.599 112 HA SER 16 HA SER 16 10.431 -7.498 4.357 113 HB2 SER 16 HB2 SER 16 11.464 -5.221 3.616 114 HB3 SER 16 HB3 SER 16 10.447 -4.539 4.880 115 HG SER 16 HG SER 16 11.479 -6.205 6.281 116 H TYR 17 H TYR 17 8.054 -4.856 4.640 117 HA TYR 17 HA TYR 17 7.581 -5.322 7.410 118 HB2 TYR 17 HB2 TYR 17 7.252 -3.117 6.366 119 HB3 TYR 17 HB3 TYR 17 5.929 -3.769 5.406 120 HD1 TYR 17 HD1 TYR 17 7.004 -3.004 8.865 121 HD2 TYR 17 HD2 TYR 17 3.741 -3.914 6.292 122 HE1 TYR 17 HE1 TYR 17 5.431 -2.445 10.670 123 HE2 TYR 17 HE2 TYR 17 2.160 -3.358 8.091 124 HH TYR 17 HH TYR 17 3.073 -1.729 10.908 125 H MET 18 H MET 18 6.134 -6.494 4.458 126 HA MET 18 HA MET 18 3.687 -7.377 5.532 127 HB2 MET 18 HB2 MET 18 4.636 -7.256 3.029 128 HB3 MET 18 HB3 MET 18 4.922 -8.960 3.342 129 HG2 MET 18 HG2 MET 18 2.838 -9.027 2.413 130 HG3 MET 18 HG3 MET 18 2.440 -8.951 4.126 131 HE1 MET 18 HE1 MET 18 1.236 -5.251 4.565 132 HE2 MET 18 HE2 MET 18 2.819 -5.932 4.946 133 HE3 MET 18 HE3 MET 18 1.354 -6.841 5.319 134 H LYS 19 H LYS 19 6.904 -8.769 5.542 135 HA LYS 19 HA LYS 19 6.264 -11.390 6.319 136 HB2 LYS 19 HB2 LYS 19 8.655 -9.696 7.061 137 HB3 LYS 19 HB3 LYS 19 8.523 -11.418 7.382 138 HG2 LYS 19 HG2 LYS 19 8.333 -11.814 4.944 139 HG3 LYS 19 HG3 LYS 19 8.599 -10.085 4.685 140 HD2 LYS 19 HD2 LYS 19 10.762 -10.247 5.815 141 HD3 LYS 19 HD3 LYS 19 10.498 -11.970 6.084 142 HE2 LYS 19 HE2 LYS 19 10.418 -12.312 3.648 143 HE3 LYS 19 HE3 LYS 19 10.742 -10.594 3.414 144 HZ1 LYS 19 HZ1 LYS 19 12.779 -11.790 3.197 145 HZ2 LYS 19 HZ2 LYS 19 12.542 -12.593 4.671 146 HZ3 LYS 19 HZ3 LYS 19 12.846 -10.925 4.658 147 H THR 20 H THR 20 6.888 -8.490 8.254 148 HA THR 20 HA THR 20 6.554 -9.636 10.791 149 HB THR 20 HB THR 20 5.780 -6.794 10.177 150 HG1 THR 20 HG1 THR 20 8.359 -6.806 10.617 151 HG21 THR 20 HG21 THR 20 7.335 -8.065 12.436 152 HG22 THR 20 HG22 THR 20 5.637 -7.593 12.501 153 HG23 THR 20 HG23 THR 20 6.887 -6.363 12.315 154 H TYR 21 H TYR 21 4.271 -8.291 8.488 155 HA TYR 21 HA TYR 21 2.016 -8.412 10.261 156 HB2 TYR 21 HB2 TYR 21 2.219 -6.797 8.375 157 HB3 TYR 21 HB3 TYR 21 2.095 -8.140 7.247 158 HD1 TYR 21 HD1 TYR 21 0.207 -6.779 10.180 159 HD2 TYR 21 HD2 TYR 21 0.043 -8.476 6.285 160 HE1 TYR 21 HE1 TYR 21 -2.240 -6.538 10.186 161 HE2 TYR 21 HE2 TYR 21 -2.403 -8.244 6.278 162 HH TYR 21 HH TYR 21 -4.083 -6.365 8.523 163 H SER 22 H SER 22 3.536 -10.500 7.944 164 HA SER 22 HA SER 22 1.440 -12.368 7.571 165 HB2 SER 22 HB2 SER 22 3.312 -12.209 6.008 166 HB3 SER 22 HB3 SER 22 4.445 -12.666 7.276 167 HG SER 22 HG SER 22 4.061 -14.512 6.186 168 H ARG 23 H ARG 23 3.330 -11.708 10.274 169 HA ARG 23 HA ARG 23 3.443 -14.378 11.320 170 HB2 ARG 23 HB2 ARG 23 3.837 -11.699 12.650 171 HB3 ARG 23 HB3 ARG 23 4.134 -13.247 13.409 172 HG2 ARG 23 HG2 ARG 23 5.586 -12.094 11.039 173 HG3 ARG 23 HG3 ARG 23 6.218 -12.284 12.672 174 HD2 ARG 23 HD2 ARG 23 7.138 -14.059 11.426 175 HD3 ARG 23 HD3 ARG 23 5.838 -14.778 12.373 176 HE ARG 23 HE ARG 23 4.867 -14.007 9.838 177 HH11 ARG 23 HH11 ARG 23 6.972 -16.391 11.298 178 HH12 ARG 23 HH12 ARG 23 6.602 -17.622 10.121 179 HH21 ARG 23 HH21 ARG 23 4.393 -15.608 8.279 180 HH22 ARG 23 HH22 ARG 23 5.163 -17.158 8.385 181 H ARG 24 H ARG 24 1.034 -12.101 10.984 182 HA ARG 24 HA ARG 24 -0.495 -13.136 13.261 183 HB2 ARG 24 HB2 ARG 24 -0.867 -10.674 11.559 184 HB3 ARG 24 HB3 ARG 24 -2.058 -11.219 12.733 185 HG2 ARG 24 HG2 ARG 24 0.791 -10.487 13.366 186 HG3 ARG 24 HG3 ARG 24 -0.612 -9.446 13.608 187 HD2 ARG 24 HD2 ARG 24 -1.561 -11.083 15.154 188 HD3 ARG 24 HD3 ARG 24 -0.163 -12.128 14.909 189 HE ARG 24 HE ARG 24 0.964 -9.819 15.745 190 HH11 ARG 24 HH11 ARG 24 -1.650 -11.775 16.998 191 HH12 ARG 24 HH12 ARG 24 -1.358 -11.342 18.657 192 HH21 ARG 24 HH21 ARG 24 1.333 -9.215 17.919 193 HH22 ARG 24 HH22 ARG 24 0.352 -9.902 19.178 194 H LEU 25 H LEU 25 -0.360 -13.244 9.803 195 HA LEU 25 HA LEU 25 -3.050 -14.385 9.733 196 HB2 LEU 25 HB2 LEU 25 -2.907 -13.788 7.266 197 HB3 LEU 25 HB3 LEU 25 -3.150 -12.487 8.402 198 HG LEU 25 HG LEU 25 -0.658 -12.038 8.224 199 HD11 LEU 25 HD11 LEU 25 0.013 -14.179 7.277 200 HD12 LEU 25 HD12 LEU 25 0.462 -12.845 6.214 201 HD13 LEU 25 HD13 LEU 25 -0.940 -13.845 5.831 202 HD21 LEU 25 HD21 LEU 25 -2.336 -10.647 7.143 203 HD22 LEU 25 HD22 LEU 25 -2.360 -11.735 5.755 204 HD23 LEU 25 HD23 LEU 25 -0.905 -10.811 6.126 205 H GLU 26 H GLU 26 -3.347 -15.917 7.849 206 HA GLU 26 HA GLU 26 -1.484 -18.058 8.034 207 HB2 GLU 26 HB2 GLU 26 -4.116 -17.871 7.559 208 HB3 GLU 26 HB3 GLU 26 -3.549 -17.986 5.905 209 HG2 GLU 26 HG2 GLU 26 -2.856 -19.961 8.053 210 HG3 GLU 26 HG3 GLU 26 -4.227 -20.114 6.965 211 H ILE 27 H ILE 27 -0.349 -18.997 6.259 212 HA ILE 27 HA ILE 27 1.137 -17.165 4.715 213 HB ILE 27 HB ILE 27 0.830 -20.158 4.407 214 HG12 ILE 27 HG12 ILE 27 1.767 -19.474 6.564 215 HG13 ILE 27 HG13 ILE 27 2.999 -20.247 5.571 216 HG21 ILE 27 HG21 ILE 27 1.610 -19.170 2.319 217 HG22 ILE 27 HG22 ILE 27 2.898 -20.090 3.098 218 HG23 ILE 27 HG23 ILE 27 2.894 -18.328 3.187 219 HD11 ILE 27 HD11 ILE 27 3.923 -18.066 5.002 220 HD12 ILE 27 HD12 ILE 27 3.871 -18.301 6.750 221 HD13 ILE 27 HD13 ILE 27 2.670 -17.278 5.962 222 H GLY 28 H GLY 28 -1.692 -19.143 3.993 223 HA2 GLY 28 HA2 GLY 28 -1.776 -18.720 1.205 224 HA3 GLY 28 HA3 GLY 28 -3.153 -19.120 2.225 225 H THR 29 H THR 29 -2.840 -16.741 3.900 226 HA THR 29 HA THR 29 -4.336 -14.882 2.325 227 HB THR 29 HB THR 29 -3.073 -14.326 5.012 228 HG1 THR 29 HG1 THR 29 -5.545 -15.667 4.451 229 HG21 THR 29 HG21 THR 29 -5.048 -12.896 5.307 230 HG22 THR 29 HG22 THR 29 -5.606 -13.338 3.695 231 HG23 THR 29 HG23 THR 29 -4.113 -12.419 3.891 232 H PHE 30 H PHE 30 -1.134 -14.847 3.844 233 HA PHE 30 HA PHE 30 -0.187 -12.403 2.918 234 HB2 PHE 30 HB2 PHE 30 1.025 -13.595 4.603 235 HB3 PHE 30 HB3 PHE 30 1.217 -14.999 3.568 236 HD1 PHE 30 HD1 PHE 30 2.225 -11.438 3.920 237 HD2 PHE 30 HD2 PHE 30 3.119 -15.258 2.268 238 HE1 PHE 30 HE1 PHE 30 4.430 -10.614 3.204 239 HE2 PHE 30 HE2 PHE 30 5.323 -14.438 1.549 240 HZ PHE 30 HZ PHE 30 5.982 -12.113 2.021 241 H ARG 31 H ARG 31 0.162 -15.617 1.494 242 HA ARG 31 HA ARG 31 1.687 -14.820 -0.736 243 HB2 ARG 31 HB2 ARG 31 1.329 -17.143 0.342 244 HB3 ARG 31 HB3 ARG 31 -0.103 -17.231 -0.671 245 HG2 ARG 31 HG2 ARG 31 1.272 -16.973 -2.656 246 HG3 ARG 31 HG3 ARG 31 2.715 -16.859 -1.644 247 HD2 ARG 31 HD2 ARG 31 2.503 -19.088 -0.911 248 HD3 ARG 31 HD3 ARG 31 0.854 -19.213 -1.518 249 HE ARG 31 HE ARG 31 2.731 -18.688 -3.606 250 HH11 ARG 31 HH11 ARG 31 1.464 -21.213 -1.532 251 HH12 ARG 31 HH12 ARG 31 1.721 -22.471 -2.703 252 HH21 ARG 31 HH21 ARG 31 3.093 -20.355 -5.136 253 HH22 ARG 31 HH22 ARG 31 2.666 -21.995 -4.738 254 H HIS 32 H HIS 32 -1.764 -14.902 -0.172 255 HA HIS 32 HA HIS 32 -2.593 -15.078 -2.854 256 HB2 HIS 32 HB2 HIS 32 -3.981 -15.292 -0.653 257 HB3 HIS 32 HB3 HIS 32 -4.201 -13.554 -0.834 258 HD1 HIS 32 HD1 HIS 32 -6.039 -12.815 -2.375 259 HD2 HIS 32 HD2 HIS 32 -4.988 -16.802 -2.941 260 HE1 HIS 32 HE1 HIS 32 -7.711 -13.733 -4.011 261 HE2 HIS 32 HE2 HIS 32 -7.149 -16.182 -4.225 262 H HIS 33 H HIS 33 -1.718 -12.315 -0.837 263 HA HIS 33 HA HIS 33 -1.187 -10.853 -3.264 264 HB2 HIS 33 HB2 HIS 33 -2.457 -8.852 -2.681 265 HB3 HIS 33 HB3 HIS 33 -3.516 -10.231 -2.894 266 HD1 HIS 33 HD1 HIS 33 -4.694 -11.153 -0.721 267 HD2 HIS 33 HD2 HIS 33 -2.564 -7.626 -0.203 268 HE1 HIS 33 HE1 HIS 33 -5.450 -10.228 1.487 269 HE2 HIS 33 HE2 HIS 33 -4.321 -7.978 1.661 270 H LYS 34 H LYS 34 0.929 -11.331 -2.384 271 HA LYS 34 HA LYS 34 1.714 -9.716 -0.134 272 HB2 LYS 34 HB2 LYS 34 3.937 -10.796 -0.520 273 HB3 LYS 34 HB3 LYS 34 2.625 -11.839 -0.004 274 HG2 LYS 34 HG2 LYS 34 2.278 -12.574 -2.245 275 HG3 LYS 34 HG3 LYS 34 3.511 -11.456 -2.828 276 HD2 LYS 34 HD2 LYS 34 5.185 -12.637 -1.495 277 HD3 LYS 34 HD3 LYS 34 3.934 -13.783 -0.976 278 HE2 LYS 34 HE2 LYS 34 3.478 -14.355 -3.241 279 HE3 LYS 34 HE3 LYS 34 4.651 -13.173 -3.803 280 HZ1 LYS 34 HZ1 LYS 34 6.397 -14.453 -2.671 281 HZ2 LYS 34 HZ2 LYS 34 5.615 -15.380 -3.858 282 HZ3 LYS 34 HZ3 LYS 34 5.251 -15.619 -2.220 283 H SER 35 H SER 35 2.406 -10.079 -3.543 284 HA SER 35 HA SER 35 4.244 -7.882 -3.615 285 HB2 SER 35 HB2 SER 35 2.850 -9.227 -5.938 286 HB3 SER 35 HB3 SER 35 4.332 -8.273 -5.997 287 HG SER 35 HG SER 35 3.908 -10.864 -5.006 288 H CYS 36 H CYS 36 0.968 -8.375 -4.911 289 HA CYS 36 HA CYS 36 -0.663 -6.974 -5.617 290 HB2 CYS 36 HB2 CYS 36 0.432 -5.188 -3.437 291 HB3 CYS 36 HB3 CYS 36 -1.165 -5.067 -4.165 292 HG CYS 36 HG CYS 36 -0.421 -6.626 -1.496 293 H MET 37 H MET 37 1.356 -4.250 -4.677 294 HA MET 37 HA MET 37 1.087 -3.026 -7.235 295 HB2 MET 37 HB2 MET 37 2.953 -2.324 -4.956 296 HB3 MET 37 HB3 MET 37 2.609 -1.305 -6.344 297 HG2 MET 37 HG2 MET 37 1.331 -0.451 -4.570 298 HG3 MET 37 HG3 MET 37 0.199 -1.315 -5.606 299 HE1 MET 37 HE1 MET 37 1.789 -2.936 -1.581 300 HE2 MET 37 HE2 MET 37 2.205 -1.351 -2.233 301 HE3 MET 37 HE3 MET 37 2.790 -2.812 -3.028 302 H ARG 38 H ARG 38 3.560 -4.866 -5.593 303 HA ARG 38 HA ARG 38 5.699 -4.474 -7.395 304 HB2 ARG 38 HB2 ARG 38 5.538 -5.640 -5.037 305 HB3 ARG 38 HB3 ARG 38 5.267 -7.080 -5.995 306 HG2 ARG 38 HG2 ARG 38 7.410 -6.517 -7.219 307 HG3 ARG 38 HG3 ARG 38 7.703 -5.331 -5.943 308 HD2 ARG 38 HD2 ARG 38 7.377 -7.220 -4.294 309 HD3 ARG 38 HD3 ARG 38 7.425 -8.316 -5.672 310 HE ARG 38 HE ARG 38 9.652 -6.788 -4.558 311 HH11 ARG 38 HH11 ARG 38 8.506 -8.851 -7.165 312 HH12 ARG 38 HH12 ARG 38 10.095 -9.444 -7.542 313 HH21 ARG 38 HH21 ARG 38 11.716 -7.589 -5.055 314 HH22 ARG 38 HH22 ARG 38 11.913 -8.756 -6.326 315 H LYS 39 H LYS 39 2.966 -6.614 -7.323 316 HA LYS 39 HA LYS 39 3.691 -8.464 -9.277 317 HB2 LYS 39 HB2 LYS 39 1.791 -8.504 -7.583 318 HB3 LYS 39 HB3 LYS 39 0.908 -7.459 -8.677 319 HG2 LYS 39 HG2 LYS 39 1.992 -10.089 -9.591 320 HG3 LYS 39 HG3 LYS 39 0.449 -9.971 -8.747 321 HD2 LYS 39 HD2 LYS 39 1.146 -8.435 -11.242 322 HD3 LYS 39 HD3 LYS 39 0.269 -9.954 -11.213 323 HE2 LYS 39 HE2 LYS 39 -1.441 -8.881 -9.761 324 HE3 LYS 39 HE3 LYS 39 -0.586 -7.354 -9.969 325 HZ1 LYS 39 HZ1 LYS 39 -1.864 -8.969 -12.112 326 HZ2 LYS 39 HZ2 LYS 39 -0.950 -7.566 -12.380 327 HZ3 LYS 39 HZ3 LYS 39 -2.407 -7.477 -11.516 328 H PHE 40 H PHE 40 1.946 -5.389 -9.449 329 HA PHE 40 HA PHE 40 1.660 -5.471 -12.293 330 HB2 PHE 40 HB2 PHE 40 0.067 -4.214 -10.929 331 HB3 PHE 40 HB3 PHE 40 1.359 -3.171 -10.345 332 HD1 PHE 40 HD2 PHE 40 -0.260 -4.268 -13.514 333 HD2 PHE 40 HD1 PHE 40 1.758 -1.165 -11.414 334 HE1 PHE 40 HE2 PHE 40 -0.632 -2.747 -15.411 335 HE2 PHE 40 HE1 PHE 40 1.391 0.360 -13.306 336 HZ PHE 40 HZ PHE 40 0.196 -0.429 -15.311 337 H LYS 41 H LYS 41 3.856 -3.877 -10.024 338 HA LYS 41 HA LYS 41 5.833 -3.605 -12.088 339 HB2 LYS 41 HB2 LYS 41 6.132 -1.166 -11.815 340 HB3 LYS 41 HB3 LYS 41 4.599 -1.591 -12.558 341 HG2 LYS 41 HG2 LYS 41 3.455 -1.203 -10.440 342 HG3 LYS 41 HG3 LYS 41 4.997 -0.798 -9.679 343 HD2 LYS 41 HD2 LYS 41 5.275 1.055 -11.274 344 HD3 LYS 41 HD3 LYS 41 3.708 0.664 -11.982 345 HE2 LYS 41 HE2 LYS 41 2.627 1.124 -9.831 346 HE3 LYS 41 HE3 LYS 41 4.195 1.526 -9.131 347 HZ1 LYS 41 HZ1 LYS 41 3.064 3.533 -9.757 348 HZ2 LYS 41 HZ2 LYS 41 2.823 2.967 -11.336 349 HZ3 LYS 41 HZ3 LYS 41 4.389 3.316 -10.794 350 H GLU 42 H GLU 42 7.458 -4.452 -11.131 351 HA GLU 42 HA GLU 42 7.992 -4.047 -8.305 352 HB2 GLU 42 HB2 GLU 42 9.830 -5.698 -8.746 353 HB3 GLU 42 HB3 GLU 42 8.212 -6.291 -9.091 354 HG2 GLU 42 HG2 GLU 42 8.668 -5.620 -11.508 355 HG3 GLU 42 HG3 GLU 42 10.357 -5.481 -11.023 356 H TYR 43 H TYR 43 8.296 -1.939 -10.418 357 HA TYR 43 HA TYR 43 11.169 -1.411 -10.342 358 HB2 TYR 43 HB2 TYR 43 9.473 -1.179 -12.398 359 HB3 TYR 43 HB3 TYR 43 9.236 0.417 -11.699 360 HD1 TYR 43 HD2 TYR 43 11.934 -1.881 -12.850 361 HD2 TYR 43 HD1 TYR 43 10.677 2.147 -12.302 362 HE1 TYR 43 HE2 TYR 43 13.952 -1.103 -14.017 363 HE2 TYR 43 HE1 TYR 43 12.692 2.941 -13.472 364 HH TYR 43 HH TYR 43 14.682 0.885 -15.297 365 H CYS 44 H CYS 44 11.133 1.349 -10.433 366 HA CYS 44 HA CYS 44 11.044 3.251 -9.236 367 HB2 CYS 44 HB2 CYS 44 8.651 1.993 -7.884 368 HB3 CYS 44 HB3 CYS 44 9.136 3.681 -7.739 369 HG CYS 44 HG CYS 44 8.869 4.057 -10.598 370 H GLU 45 H GLU 45 12.906 3.212 -8.215 371 HA GLU 45 HA GLU 45 13.014 1.973 -5.542 372 HB2 GLU 45 HB2 GLU 45 14.562 1.007 -7.249 373 HB3 GLU 45 HB3 GLU 45 15.306 2.586 -7.428 374 HG2 GLU 45 HG2 GLU 45 15.210 1.361 -4.721 375 HG3 GLU 45 HG3 GLU 45 16.354 0.725 -5.901 376 H GLY 46 H GLY 46 12.924 3.418 -3.959 377 HA2 GLY 46 HA2 GLY 46 13.787 5.272 -2.754 378 HA3 GLY 46 HA3 GLY 46 14.321 5.976 -4.272 379 H LEU 47 H LEU 47 11.674 5.577 -2.065 380 HA LEU 47 HA LEU 47 10.224 7.697 -3.507 381 HB2 LEU 47 HB2 LEU 47 9.141 5.456 -3.731 382 HB3 LEU 47 HB3 LEU 47 8.989 5.388 -1.990 383 HG LEU 47 HG LEU 47 7.730 7.665 -3.477 384 HD11 LEU 47 HD11 LEU 47 5.700 6.339 -3.759 385 HD12 LEU 47 HD12 LEU 47 6.538 4.911 -3.153 386 HD13 LEU 47 HD13 LEU 47 7.038 5.646 -4.675 387 HD21 LEU 47 HD21 LEU 47 6.999 6.126 -0.982 388 HD22 LEU 47 HD22 LEU 47 6.112 7.502 -1.639 389 HD23 LEU 47 HD23 LEU 47 7.756 7.718 -1.038 390 H GLN 48 H GLN 48 10.116 9.498 -2.305 391 HA GLN 48 HA GLN 48 10.653 9.277 0.558 392 HB2 GLN 48 HB2 GLN 48 11.140 11.323 -1.480 393 HB3 GLN 48 HB3 GLN 48 10.587 11.958 0.056 394 HG2 GLN 48 HG2 GLN 48 13.086 11.780 -0.291 395 HG3 GLN 48 HG3 GLN 48 12.432 11.119 1.206 396 HE21 GLN 48 HE21 GLN 48 13.746 10.347 -1.934 397 HE22 GLN 48 HE22 GLN 48 14.163 8.714 -1.557 398 H PHE 49 H PHE 49 9.617 11.358 1.692 399 HA PHE 49 HA PHE 49 6.892 10.669 2.050 400 HB2 PHE 49 HB2 PHE 49 6.857 12.526 3.661 401 HB3 PHE 49 HB3 PHE 49 8.276 11.514 3.871 402 HD1 PHE 49 HD1 PHE 49 10.497 12.317 3.063 403 HD2 PHE 49 HD2 PHE 49 7.061 14.830 3.177 404 HE1 PHE 49 HE1 PHE 49 11.946 14.299 2.927 405 HE2 PHE 49 HE2 PHE 49 8.507 16.815 3.036 406 HZ PHE 49 HZ PHE 49 10.952 16.551 2.912 407 H HIS 50 H HIS 50 8.535 13.151 0.269 408 HA HIS 50 HA HIS 50 6.350 14.835 -0.292 409 HB2 HIS 50 HB2 HIS 50 8.609 15.592 -0.701 410 HB3 HIS 50 HB3 HIS 50 8.879 14.301 -1.866 411 HD1 HIS 50 HD1 HIS 50 8.226 14.738 -4.255 412 HD2 HIS 50 HD2 HIS 50 6.803 17.642 -1.628 413 HE1 HIS 50 HE1 HIS 50 7.301 16.582 -5.704 414 HE2 HIS 50 HE2 HIS 50 6.324 18.263 -4.096 415 H GLU 51 H GLU 51 7.438 11.844 -1.688 416 HA GLU 51 HA GLU 51 5.750 12.029 -4.009 417 HB2 GLU 51 HB2 GLU 51 7.538 9.887 -2.883 418 HB3 GLU 51 HB3 GLU 51 6.470 9.558 -4.237 419 HG2 GLU 51 HG2 GLU 51 8.787 10.091 -4.902 420 HG3 GLU 51 HG3 GLU 51 7.588 11.177 -5.597 421 H LEU 52 H LEU 52 5.763 10.160 -0.986 422 HA LEU 52 HA LEU 52 3.302 8.830 -1.566 423 HB2 LEU 52 HB2 LEU 52 5.243 8.231 0.122 424 HB3 LEU 52 HB3 LEU 52 4.299 9.203 1.230 425 HG LEU 52 HG LEU 52 3.838 6.792 1.463 426 HD11 LEU 52 HD11 LEU 52 1.492 8.356 0.395 427 HD12 LEU 52 HD12 LEU 52 2.089 8.387 2.055 428 HD13 LEU 52 HD13 LEU 52 1.402 6.903 1.393 429 HD21 LEU 52 HD21 LEU 52 2.636 5.598 -0.294 430 HD22 LEU 52 HD22 LEU 52 4.221 6.129 -0.857 431 HD23 LEU 52 HD23 LEU 52 2.769 7.003 -1.350 432 H THR 53 H THR 53 1.807 10.391 -2.081 433 HA THR 53 HA THR 53 0.875 12.043 0.157 434 HB THR 53 HB THR 53 0.311 13.780 -1.691 435 HG1 THR 53 HG1 THR 53 2.469 12.357 -2.920 436 HG21 THR 53 HG21 THR 53 1.909 14.191 0.107 437 HG22 THR 53 HG22 THR 53 2.499 14.856 -1.416 438 HG23 THR 53 HG23 THR 53 3.163 13.344 -0.799 439 H GLU 54 H GLU 54 -1.346 12.873 -0.214 440 HA GLU 54 HA GLU 54 -3.216 10.928 -0.798 441 HB2 GLU 54 HB2 GLU 54 -3.857 12.770 0.537 442 HB3 GLU 54 HB3 GLU 54 -3.362 13.932 -0.680 443 HG2 GLU 54 HG2 GLU 54 -5.510 12.096 -1.489 444 HG3 GLU 54 HG3 GLU 54 -5.910 13.225 -0.194 445 H ASP 55 H ASP 55 -1.858 13.412 -2.877 446 HA ASP 55 HA ASP 55 -3.445 13.058 -5.141 447 HB2 ASP 55 HB2 ASP 55 -1.970 14.943 -4.994 448 HB3 ASP 55 HB3 ASP 55 -0.558 13.900 -4.853 449 H PHE 56 H PHE 56 -0.525 11.361 -4.097 450 HA PHE 56 HA PHE 56 -0.134 9.824 -6.429 451 HB2 PHE 56 HB2 PHE 56 1.587 10.111 -4.680 452 HB3 PHE 56 HB3 PHE 56 0.611 9.159 -3.569 453 HD1 PHE 56 HD2 PHE 56 0.421 6.744 -3.832 454 HD2 PHE 56 HD1 PHE 56 2.817 9.070 -6.479 455 HE1 PHE 56 HE2 PHE 56 1.533 4.698 -4.623 456 HE2 PHE 56 HE1 PHE 56 3.928 7.024 -7.272 457 HZ PHE 56 HZ PHE 56 3.289 4.837 -6.343 458 H LEU 57 H LEU 57 -1.797 9.112 -3.379 459 HA LEU 57 HA LEU 57 -2.689 6.543 -3.993 460 HB2 LEU 57 HB2 LEU 57 -3.660 8.715 -2.170 461 HB3 LEU 57 HB3 LEU 57 -4.615 7.259 -2.373 462 HG LEU 57 HG LEU 57 -3.222 7.150 -0.376 463 HD11 LEU 57 HD11 LEU 57 -3.771 5.075 -1.499 464 HD12 LEU 57 HD12 LEU 57 -2.153 4.985 -0.803 465 HD13 LEU 57 HD13 LEU 57 -2.354 5.241 -2.535 466 HD21 LEU 57 HD21 LEU 57 -0.857 7.281 -2.234 467 HD22 LEU 57 HD22 LEU 57 -0.811 7.028 -0.488 468 HD23 LEU 57 HD23 LEU 57 -1.374 8.566 -1.142 469 H ARG 58 H ARG 58 -4.177 9.706 -4.617 470 HA ARG 58 HA ARG 58 -6.575 8.689 -5.716 471 HB2 ARG 58 HB2 ARG 58 -6.413 11.007 -4.966 472 HB3 ARG 58 HB3 ARG 58 -5.218 11.346 -6.215 473 HG2 ARG 58 HG2 ARG 58 -6.980 10.664 -7.896 474 HG3 ARG 58 HG3 ARG 58 -8.129 10.702 -6.561 475 HD2 ARG 58 HD2 ARG 58 -7.682 13.040 -6.183 476 HD3 ARG 58 HD3 ARG 58 -6.409 13.025 -7.405 477 HE ARG 58 HE ARG 58 -9.187 12.378 -8.133 478 HH11 ARG 58 HH11 ARG 58 -6.375 14.457 -8.444 479 HH12 ARG 58 HH12 ARG 58 -6.959 15.240 -9.887 480 HH21 ARG 58 HH21 ARG 58 -9.946 13.394 -10.024 481 HH22 ARG 58 HH22 ARG 58 -8.979 14.614 -10.799 482 H ASP 59 H ASP 59 -3.531 9.727 -7.238 483 HA ASP 59 HA ASP 59 -4.424 9.493 -9.900 484 HB2 ASP 59 HB2 ASP 59 -2.381 10.730 -9.269 485 HB3 ASP 59 HB3 ASP 59 -1.596 9.207 -8.862 486 H TYR 60 H TYR 60 -2.856 7.190 -7.734 487 HA TYR 60 HA TYR 60 -2.588 5.127 -9.665 488 HB2 TYR 60 HB2 TYR 60 -1.395 5.353 -7.405 489 HB3 TYR 60 HB3 TYR 60 -2.859 4.688 -6.692 490 HD1 TYR 60 HD2 TYR 60 -0.171 3.971 -9.152 491 HD2 TYR 60 HD1 TYR 60 -3.215 2.358 -6.654 492 HE1 TYR 60 HE2 TYR 60 0.662 1.703 -9.613 493 HE2 TYR 60 HE1 TYR 60 -2.388 0.088 -7.111 494 HH TYR 60 HH TYR 60 -1.101 -1.106 -8.748 495 H LEU 61 H LEU 61 -5.131 6.085 -7.454 496 HA LEU 61 HA LEU 61 -6.861 3.881 -7.805 497 HB2 LEU 61 HB2 LEU 61 -7.215 5.414 -6.010 498 HB3 LEU 61 HB3 LEU 61 -7.365 6.769 -7.108 499 HG LEU 61 HG LEU 61 -9.452 5.658 -8.009 500 HD11 LEU 61 HD11 LEU 61 -10.558 4.031 -6.582 501 HD12 LEU 61 HD12 LEU 61 -9.159 4.002 -5.506 502 HD13 LEU 61 HD13 LEU 61 -9.013 3.408 -7.160 503 HD21 LEU 61 HD21 LEU 61 -10.842 6.458 -6.163 504 HD22 LEU 61 HD22 LEU 61 -9.529 7.579 -6.521 505 HD23 LEU 61 HD23 LEU 61 -9.421 6.513 -5.119 506 H ILE 62 H ILE 62 -6.722 7.038 -9.405 507 HA ILE 62 HA ILE 62 -8.744 6.590 -11.298 508 HB ILE 62 HB ILE 62 -6.257 8.282 -11.635 509 HG12 ILE 62 HG12 ILE 62 -9.018 9.043 -10.652 510 HG13 ILE 62 HG13 ILE 62 -7.589 8.871 -9.636 511 HG21 ILE 62 HG21 ILE 62 -7.365 7.834 -13.761 512 HG22 ILE 62 HG22 ILE 62 -7.577 9.521 -13.290 513 HG23 ILE 62 HG23 ILE 62 -8.902 8.376 -13.087 514 HD11 ILE 62 HD11 ILE 62 -6.519 10.703 -10.859 515 HD12 ILE 62 HD12 ILE 62 -8.032 11.200 -10.103 516 HD13 ILE 62 HD13 ILE 62 -7.974 10.887 -11.838 517 H TYR 63 H TYR 63 -5.241 6.050 -11.503 518 HA TYR 63 HA TYR 63 -5.093 5.011 -14.086 519 HB2 TYR 63 HB2 TYR 63 -3.182 5.621 -12.565 520 HB3 TYR 63 HB3 TYR 63 -3.465 4.120 -11.696 521 HD1 TYR 63 HD1 TYR 63 -2.944 1.953 -12.753 522 HD2 TYR 63 HD2 TYR 63 -2.095 5.639 -14.706 523 HE1 TYR 63 HE1 TYR 63 -1.429 0.784 -14.300 524 HE2 TYR 63 HE2 TYR 63 -0.589 4.477 -16.259 525 HH TYR 63 HH TYR 63 0.810 2.333 -16.181 526 H MET 64 H MET 64 -5.814 3.447 -11.019 527 HA MET 64 HA MET 64 -5.951 0.782 -11.852 528 HB2 MET 64 HB2 MET 64 -5.997 1.616 -9.493 529 HB3 MET 64 HB3 MET 64 -7.657 2.129 -9.753 530 HG2 MET 64 HG2 MET 64 -8.041 0.128 -8.785 531 HG3 MET 64 HG3 MET 64 -7.946 -0.394 -10.466 532 HE1 MET 64 HE1 MET 64 -4.446 -0.724 -7.482 533 HE2 MET 64 HE2 MET 64 -6.027 -0.062 -7.066 534 HE3 MET 64 HE3 MET 64 -4.981 0.799 -8.196 535 H LYS 65 H LYS 65 -8.380 3.333 -11.845 536 HA LYS 65 HA LYS 65 -10.495 1.573 -12.689 537 HB2 LYS 65 HB2 LYS 65 -10.618 3.706 -11.208 538 HB3 LYS 65 HB3 LYS 65 -10.622 4.574 -12.734 539 HG2 LYS 65 HG2 LYS 65 -12.591 2.381 -12.287 540 HG3 LYS 65 HG3 LYS 65 -12.858 3.958 -11.550 541 HD2 LYS 65 HD2 LYS 65 -12.681 4.996 -13.785 542 HD3 LYS 65 HD3 LYS 65 -12.509 3.386 -14.491 543 HE2 LYS 65 HE2 LYS 65 -14.695 2.756 -13.732 544 HE3 LYS 65 HE3 LYS 65 -14.861 4.257 -12.824 545 HZ1 LYS 65 HZ1 LYS 65 -14.667 4.039 -15.781 546 HZ2 LYS 65 HZ2 LYS 65 -14.833 5.481 -14.906 547 HZ3 LYS 65 HZ3 LYS 65 -16.082 4.338 -14.899 548 H LYS 66 H LYS 66 -8.412 3.996 -14.171 549 HA LYS 66 HA LYS 66 -9.821 4.016 -16.677 550 HB2 LYS 66 HB2 LYS 66 -8.667 6.010 -15.998 551 HB3 LYS 66 HB3 LYS 66 -7.159 5.135 -15.791 552 HG2 LYS 66 HG2 LYS 66 -7.318 4.652 -18.306 553 HG3 LYS 66 HG3 LYS 66 -8.524 5.941 -18.331 554 HD2 LYS 66 HD2 LYS 66 -6.937 7.524 -17.472 555 HD3 LYS 66 HD3 LYS 66 -5.746 6.250 -17.204 556 HE2 LYS 66 HE2 LYS 66 -5.754 5.824 -19.659 557 HE3 LYS 66 HE3 LYS 66 -6.791 7.238 -19.853 558 HZ1 LYS 66 HZ1 LYS 66 -4.479 7.788 -20.245 559 HZ2 LYS 66 HZ2 LYS 66 -4.051 7.234 -18.700 560 HZ3 LYS 66 HZ3 LYS 66 -5.044 8.599 -18.863 561 H THR 67 H THR 67 -6.482 3.049 -15.851 562 HA THR 67 HA THR 67 -6.160 1.860 -18.446 563 HB THR 67 HB THR 67 -4.215 1.714 -16.144 564 HG1 THR 67 HG1 THR 67 -3.600 3.716 -17.775 565 HG21 THR 67 HG21 THR 67 -3.857 1.726 -19.145 566 HG22 THR 67 HG22 THR 67 -3.648 0.339 -18.076 567 HG23 THR 67 HG23 THR 67 -2.549 1.713 -17.963 568 H LEU 68 H LEU 68 -6.271 0.671 -15.108 569 HA LEU 68 HA LEU 68 -5.996 -2.073 -16.000 570 HB2 LEU 68 HB2 LEU 68 -6.482 -0.939 -13.247 571 HB3 LEU 68 HB3 LEU 68 -6.141 -2.621 -13.604 572 HG LEU 68 HG LEU 68 -4.250 -0.318 -14.086 573 HD11 LEU 68 HD11 LEU 68 -4.214 -2.498 -12.004 574 HD12 LEU 68 HD12 LEU 68 -4.555 -0.791 -11.715 575 HD13 LEU 68 HD13 LEU 68 -2.953 -1.292 -12.258 576 HD21 LEU 68 HD21 LEU 68 -3.832 -3.289 -14.385 577 HD22 LEU 68 HD22 LEU 68 -2.607 -2.039 -14.601 578 HD23 LEU 68 HD23 LEU 68 -3.977 -2.133 -15.709 579 H CYS 69 H CYS 69 -8.487 0.146 -15.255 580 HA CYS 69 HA CYS 69 -10.742 0.058 -15.261 581 HB2 CYS 69 HB2 CYS 69 -10.380 -2.570 -16.707 582 HB3 CYS 69 HB3 CYS 69 -11.825 -1.565 -16.702 583 HG CYS 69 HG CYS 69 -9.590 0.460 -17.734 584 H ASN 70 H ASN 70 -10.602 -0.191 -12.934 585 HA ASN 70 HA ASN 70 -11.982 -2.616 -12.065 586 HB2 ASN 70 HB2 ASN 70 -9.512 -1.497 -10.715 587 HB3 ASN 70 HB3 ASN 70 -10.588 -2.672 -9.970 588 HD21 ASN 70 HD21 ASN 70 -8.114 -2.130 -12.299 589 HD22 ASN 70 HD22 ASN 70 -7.828 -3.787 -12.698 590 H ALA 71 H ALA 71 -13.145 -2.320 -10.063 591 HA ALA 71 HA ALA 71 -14.180 0.353 -9.774 592 HB1 ALA 71 HB1 ALA 71 -15.683 -1.573 -9.666 593 HB2 ALA 71 HB2 ALA 71 -15.728 -0.648 -8.165 594 HB3 ALA 71 HB3 ALA 71 -14.831 -2.164 -8.239 595 H ASP 72 H ASP 72 -14.489 1.235 -7.483 596 HA ASP 72 HA ASP 72 -11.948 1.737 -6.384 597 HB2 ASP 72 HB2 ASP 72 -12.987 3.141 -4.827 598 HB3 ASP 72 HB3 ASP 72 -14.078 3.189 -6.201 599 H SER 73 H SER 73 -14.394 -0.627 -5.609 600 HA SER 73 HA SER 73 -13.551 -1.441 -3.086 601 HB2 SER 73 HB2 SER 73 -14.567 -3.283 -5.260 602 HB3 SER 73 HB3 SER 73 -14.736 -3.485 -3.517 603 HG SER 73 HG SER 73 -15.973 -1.446 -3.607 604 H THR 74 H THR 74 -12.618 -2.796 -6.258 605 HA THR 74 HA THR 74 -10.670 -4.570 -5.299 606 HB THR 74 HB THR 74 -10.579 -3.260 -8.013 607 HG1 THR 74 HG1 THR 74 -12.021 -5.476 -8.145 608 HG21 THR 74 HG21 THR 74 -8.769 -4.814 -7.468 609 HG22 THR 74 HG22 THR 74 -9.817 -5.484 -8.717 610 HG23 THR 74 HG23 THR 74 -9.953 -6.056 -7.054 611 H ALA 75 H ALA 75 -10.491 -1.224 -6.390 612 HA ALA 75 HA ALA 75 -7.675 -1.011 -6.473 613 HB1 ALA 75 HB1 ALA 75 -9.751 1.144 -6.110 614 HB2 ALA 75 HB2 ALA 75 -9.139 0.537 -7.649 615 HB3 ALA 75 HB3 ALA 75 -8.064 1.403 -6.551 616 H GLN 76 H GLN 76 -10.044 -0.272 -3.936 617 HA GLN 76 HA GLN 76 -8.269 0.982 -2.177 618 HB2 GLN 76 HB2 GLN 76 -10.913 -0.388 -1.832 619 HB3 GLN 76 HB3 GLN 76 -10.039 0.265 -0.465 620 HG2 GLN 76 HG2 GLN 76 -10.852 1.856 -2.879 621 HG3 GLN 76 HG3 GLN 76 -11.767 1.791 -1.376 622 HE21 GLN 76 HE21 GLN 76 -11.559 4.009 -1.084 623 HE22 GLN 76 HE22 GLN 76 -10.069 4.731 -0.578 624 H ARG 77 H ARG 77 -9.029 -2.411 -2.689 625 HA ARG 77 HA ARG 77 -7.746 -3.459 -0.427 626 HB2 ARG 77 HB2 ARG 77 -8.372 -4.528 -3.138 627 HB3 ARG 77 HB3 ARG 77 -7.227 -5.418 -2.150 628 HG2 ARG 77 HG2 ARG 77 -9.513 -6.279 -1.962 629 HG3 ARG 77 HG3 ARG 77 -8.886 -5.703 -0.416 630 HD2 ARG 77 HD2 ARG 77 -10.201 -3.739 -0.515 631 HD3 ARG 77 HD3 ARG 77 -10.598 -4.004 -2.211 632 HE ARG 77 HE ARG 77 -11.569 -6.198 -0.827 633 HH11 ARG 77 HH11 ARG 77 -12.115 -2.732 -0.874 634 HH12 ARG 77 HH12 ARG 77 -13.787 -2.853 -0.423 635 HH21 ARG 77 HH21 ARG 77 -13.781 -6.367 -0.245 636 HH22 ARG 77 HH22 ARG 77 -14.734 -4.922 -0.072 637 H ASN 78 H ASN 78 -6.465 -2.609 -3.617 638 HA ASN 78 HA ASN 78 -3.796 -3.363 -3.112 639 HB2 ASN 78 HB2 ASN 78 -4.788 -2.974 -5.370 640 HB3 ASN 78 HB3 ASN 78 -4.823 -1.251 -5.012 641 HD21 ASN 78 HD21 ASN 78 -2.863 -3.975 -5.802 642 HD22 ASN 78 HD22 ASN 78 -1.412 -3.089 -6.098 643 H LEU 79 H LEU 79 -5.446 -0.239 -3.027 644 HA LEU 79 HA LEU 79 -3.233 1.293 -2.231 645 HB2 LEU 79 HB2 LEU 79 -6.185 1.781 -1.838 646 HB3 LEU 79 HB3 LEU 79 -4.939 2.977 -1.533 647 HG LEU 79 HG LEU 79 -5.529 1.720 -4.217 648 HD11 LEU 79 HD11 LEU 79 -7.312 3.214 -3.513 649 HD12 LEU 79 HD12 LEU 79 -6.373 3.940 -4.818 650 HD13 LEU 79 HD13 LEU 79 -6.132 4.475 -3.155 651 HD21 LEU 79 HD21 LEU 79 -3.989 3.400 -5.094 652 HD22 LEU 79 HD22 LEU 79 -3.178 2.323 -3.959 653 HD23 LEU 79 HD23 LEU 79 -3.644 3.948 -3.455 654 H SER 80 H SER 80 -5.604 -0.520 -0.379 655 HA SER 80 HA SER 80 -4.921 0.492 2.168 656 HB2 SER 80 HB2 SER 80 -7.000 -0.817 1.634 657 HB3 SER 80 HB3 SER 80 -6.002 -2.268 1.549 658 HG SER 80 HG SER 80 -6.995 -0.977 3.715 659 H THR 81 H THR 81 -3.591 -2.071 0.172 660 HA THR 81 HA THR 81 -1.901 -3.237 2.100 661 HB THR 81 HB THR 81 -1.405 -3.019 -0.883 662 HG1 THR 81 HG1 THR 81 -3.424 -4.000 -0.492 663 HG21 THR 81 HG21 THR 81 -0.426 -5.039 1.141 664 HG22 THR 81 HG22 THR 81 0.549 -3.763 0.417 665 HG23 THR 81 HG23 THR 81 -0.093 -5.058 -0.592 666 H ILE 82 H ILE 82 -1.432 -0.581 -0.188 667 HA ILE 82 HA ILE 82 1.179 0.149 0.614 668 HB ILE 82 HB ILE 82 -1.051 1.833 -0.558 669 HG12 ILE 82 HG12 ILE 82 1.360 0.578 -1.885 670 HG13 ILE 82 HG13 ILE 82 -0.273 -0.072 -1.959 671 HG21 ILE 82 HG21 ILE 82 0.679 3.448 -1.169 672 HG22 ILE 82 HG22 ILE 82 1.889 2.473 -0.337 673 HG23 ILE 82 HG23 ILE 82 0.593 3.239 0.581 674 HD11 ILE 82 HD11 ILE 82 0.637 2.582 -3.050 675 HD12 ILE 82 HD12 ILE 82 -1.013 1.963 -3.107 676 HD13 ILE 82 HD13 ILE 82 0.271 1.134 -3.985 677 H LYS 83 H LYS 83 -2.030 1.121 1.659 678 HA LYS 83 HA LYS 83 -1.364 3.171 3.413 679 HB2 LYS 83 HB2 LYS 83 -3.663 2.210 2.520 680 HB3 LYS 83 HB3 LYS 83 -3.628 1.322 4.033 681 HG2 LYS 83 HG2 LYS 83 -3.236 4.281 4.022 682 HG3 LYS 83 HG3 LYS 83 -4.854 3.592 3.901 683 HD2 LYS 83 HD2 LYS 83 -4.535 2.414 5.998 684 HD3 LYS 83 HD3 LYS 83 -2.877 3.007 6.101 685 HE2 LYS 83 HE2 LYS 83 -3.672 5.289 6.242 686 HE3 LYS 83 HE3 LYS 83 -5.335 4.744 6.052 687 HZ1 LYS 83 HZ1 LYS 83 -4.473 5.253 8.385 688 HZ2 LYS 83 HZ2 LYS 83 -3.672 3.764 8.283 689 HZ3 LYS 83 HZ3 LYS 83 -5.364 3.828 8.163 690 H ILE 84 H ILE 84 -1.308 -0.312 3.880 691 HA ILE 84 HA ILE 84 -1.116 -0.342 6.678 692 HB ILE 84 HB ILE 84 0.043 -2.301 4.684 693 HG12 ILE 84 HG12 ILE 84 -2.518 -2.419 6.293 694 HG13 ILE 84 HG13 ILE 84 -2.424 -2.000 4.586 695 HG21 ILE 84 HG21 ILE 84 1.151 -2.521 6.832 696 HG22 ILE 84 HG22 ILE 84 0.079 -3.893 6.553 697 HG23 ILE 84 HG23 ILE 84 -0.408 -2.603 7.652 698 HD11 ILE 84 HD11 ILE 84 -1.537 -4.221 4.093 699 HD12 ILE 84 HD12 ILE 84 -3.109 -4.305 4.890 700 HD13 ILE 84 HD13 ILE 84 -1.639 -4.636 5.804 701 H TYR 85 H TYR 85 1.548 -0.382 4.238 702 HA TYR 85 HA TYR 85 3.480 -0.442 6.344 703 HB2 TYR 85 HB2 TYR 85 5.127 -0.589 4.685 704 HB3 TYR 85 HB3 TYR 85 3.763 -1.471 4.039 705 HD1 TYR 85 HD2 TYR 85 5.751 1.621 3.755 706 HD2 TYR 85 HD1 TYR 85 2.683 -0.764 2.027 707 HE1 TYR 85 HE2 TYR 85 5.897 2.943 1.690 708 HE2 TYR 85 HE1 TYR 85 2.830 0.546 -0.046 709 HH TYR 85 HH TYR 85 3.562 2.800 -0.747 710 H VAL 86 H VAL 86 1.973 2.025 4.418 711 HA VAL 86 HA VAL 86 3.783 4.113 5.142 712 HB VAL 86 HB VAL 86 0.926 4.258 4.152 713 HG11 VAL 86 HG11 VAL 86 1.405 6.600 3.622 714 HG12 VAL 86 HG12 VAL 86 2.998 6.447 4.363 715 HG13 VAL 86 HG13 VAL 86 1.546 6.298 5.353 716 HG21 VAL 86 HG21 VAL 86 2.456 3.232 2.556 717 HG22 VAL 86 HG22 VAL 86 3.545 4.611 2.699 718 HG23 VAL 86 HG23 VAL 86 1.940 4.824 2.000 719 H SER 87 H SER 87 0.739 2.887 6.425 720 HA SER 87 HA SER 87 0.205 4.900 8.277 721 HB2 SER 87 HB2 SER 87 -0.751 2.240 7.692 722 HB3 SER 87 HB3 SER 87 -0.724 2.530 9.435 723 HG SER 87 HG SER 87 -1.663 4.713 8.224 724 H ALA 88 H ALA 88 2.254 2.032 8.576 725 HA ALA 88 HA ALA 88 2.838 2.198 11.291 726 HB1 ALA 88 HB1 ALA 88 3.588 0.370 9.796 727 HB2 ALA 88 HB2 ALA 88 4.887 1.010 10.803 728 HB3 ALA 88 HB3 ALA 88 4.784 1.467 9.101 729 H ALA 89 H ALA 89 4.307 3.875 8.563 730 HA ALA 89 HA ALA 89 6.134 5.400 10.130 731 HB1 ALA 89 HB1 ALA 89 6.533 4.891 7.758 732 HB2 ALA 89 HB2 ALA 89 6.585 6.623 8.089 733 HB3 ALA 89 HB3 ALA 89 5.161 5.915 7.325 734 H ILE 90 H ILE 90 2.806 5.759 9.301 735 HA ILE 90 HA ILE 90 2.726 8.589 9.753 736 HB ILE 90 HB ILE 90 0.463 6.586 9.640 737 HG12 ILE 90 HG12 ILE 90 1.448 8.518 7.530 738 HG13 ILE 90 HG13 ILE 90 1.810 6.796 7.553 739 HG21 ILE 90 HG21 ILE 90 -0.987 8.525 9.298 740 HG22 ILE 90 HG22 ILE 90 0.394 9.597 9.522 741 HG23 ILE 90 HG23 ILE 90 -0.169 8.595 10.860 742 HD11 ILE 90 HD11 ILE 90 0.024 7.277 6.002 743 HD12 ILE 90 HD12 ILE 90 -0.918 8.032 7.289 744 HD13 ILE 90 HD13 ILE 90 -0.575 6.303 7.344 745 H LYS 91 H LYS 91 1.901 5.706 11.621 746 HA LYS 91 HA LYS 91 0.806 7.277 13.775 747 HB2 LYS 91 HB2 LYS 91 1.190 4.332 13.334 748 HB3 LYS 91 HB3 LYS 91 0.781 4.947 14.927 749 HG2 LYS 91 HG2 LYS 91 -1.239 4.265 13.860 750 HG3 LYS 91 HG3 LYS 91 -1.236 6.025 13.930 751 HD2 LYS 91 HD2 LYS 91 -0.577 6.150 11.602 752 HD3 LYS 91 HD3 LYS 91 -0.449 4.394 11.516 753 HE2 LYS 91 HE2 LYS 91 -2.520 4.930 10.530 754 HE3 LYS 91 HE3 LYS 91 -2.904 4.322 12.136 755 HZ1 LYS 91 HZ1 LYS 91 -2.936 7.134 11.197 756 HZ2 LYS 91 HZ2 LYS 91 -2.979 6.723 12.843 757 HZ3 LYS 91 HZ3 LYS 91 -4.225 6.215 11.813 758 H LYS 92 H LYS 92 3.744 5.377 13.200 759 HA LYS 92 HA LYS 92 5.094 7.101 15.095 760 HB2 LYS 92 HB2 LYS 92 4.334 5.174 16.471 761 HB3 LYS 92 HB3 LYS 92 5.253 4.101 15.422 762 HG2 LYS 92 HG2 LYS 92 6.459 4.610 17.478 763 HG3 LYS 92 HG3 LYS 92 7.319 5.203 16.061 764 HD2 LYS 92 HD2 LYS 92 6.367 7.448 16.470 765 HD3 LYS 92 HD3 LYS 92 5.618 6.833 17.945 766 HE2 LYS 92 HE2 LYS 92 7.817 6.306 18.854 767 HE3 LYS 92 HE3 LYS 92 8.580 6.876 17.369 768 HZ1 LYS 92 HZ1 LYS 92 8.678 8.575 19.054 769 HZ2 LYS 92 HZ2 LYS 92 6.998 8.512 19.278 770 HZ3 LYS 92 HZ3 LYS 92 7.639 9.079 17.811 771 H GLY 93 H GLY 93 5.702 7.665 12.839 772 HA2 GLY 93 HA2 GLY 93 8.329 6.467 12.409 773 HA3 GLY 93 HA3 GLY 93 7.223 6.450 11.047 774 H TYR 94 H TYR 94 6.612 8.425 10.084 775 HA TYR 94 HA TYR 94 8.204 10.777 10.770 776 HB2 TYR 94 HB2 TYR 94 9.562 9.366 9.216 777 HB3 TYR 94 HB3 TYR 94 8.285 9.521 8.020 778 HD1 TYR 94 HD2 TYR 94 10.734 11.492 9.998 779 HD2 TYR 94 HD1 TYR 94 8.187 11.385 6.590 780 HE1 TYR 94 HE2 TYR 94 11.730 13.592 9.192 781 HE2 TYR 94 HE1 TYR 94 9.177 13.484 5.779 782 HH TYR 94 HH TYR 94 12.032 14.774 7.035 783 H MET 95 H MET 95 5.680 9.267 8.876 784 HA MET 95 HA MET 95 4.678 11.615 7.649 785 HB2 MET 95 HB2 MET 95 3.327 8.974 8.226 786 HB3 MET 95 HB3 MET 95 2.703 10.220 7.162 787 HG2 MET 95 HG2 MET 95 5.310 8.778 6.758 788 HG3 MET 95 HG3 MET 95 3.791 8.346 5.976 789 HE1 MET 95 HE1 MET 95 2.671 9.665 4.044 790 HE2 MET 95 HE2 MET 95 3.105 11.319 3.609 791 HE3 MET 95 HE3 MET 95 2.417 10.977 5.197 792 H GLU 96 H GLU 96 3.384 13.147 8.417 793 HA GLU 96 HA GLU 96 2.867 13.257 11.215 794 HB2 GLU 96 HB2 GLU 96 1.842 15.084 9.037 795 HB3 GLU 96 HB3 GLU 96 1.892 15.436 10.757 796 HG2 GLU 96 HG2 GLU 96 4.328 15.362 10.706 797 HG3 GLU 96 HG3 GLU 96 4.279 15.010 8.978 798 H ASN 97 H ASN 97 0.788 12.940 8.358 799 HA ASN 97 HA ASN 97 -1.373 11.991 10.090 800 HB2 ASN 97 HB2 ASN 97 -1.672 14.154 7.983 801 HB3 ASN 97 HB3 ASN 97 -3.015 13.355 8.788 802 HD21 ASN 97 HD21 ASN 97 -0.473 15.686 9.062 803 HD22 ASN 97 HD22 ASN 97 -0.957 16.340 10.592 804 H ASP 98 H ASP 98 -3.049 10.854 8.858 805 HA ASP 98 HA ASP 98 -1.915 9.152 6.870 806 HB2 ASP 98 HB2 ASP 98 -4.673 9.447 8.065 807 HB3 ASP 98 HB3 ASP 98 -4.337 8.305 6.779 808 HA PRO 99 HA PRO 99 -2.988 11.636 3.381 809 HB2 PRO 99 HB2 PRO 99 -2.707 9.340 1.641 810 HB3 PRO 99 HB3 PRO 99 -1.599 10.693 1.873 811 HG2 PRO 99 HG2 PRO 99 -1.055 8.137 2.670 812 HG3 PRO 99 HG3 PRO 99 -0.365 9.574 3.444 813 HD2 PRO 99 HD2 PRO 99 -2.659 7.867 4.320 814 HD3 PRO 99 HD3 PRO 99 -1.369 8.602 5.292 815 H PHE 100 H PHE 100 -4.768 8.726 4.059 816 HA PHE 100 HA PHE 100 -6.576 9.010 1.832 817 HB2 PHE 100 HB2 PHE 100 -7.618 7.069 2.584 818 HB3 PHE 100 HB3 PHE 100 -5.932 6.824 3.005 819 HD1 PHE 100 HD2 PHE 100 -5.302 7.541 5.461 820 HD2 PHE 100 HD1 PHE 100 -9.248 6.658 4.135 821 HE1 PHE 100 HE2 PHE 100 -5.985 7.102 7.785 822 HE2 PHE 100 HE1 PHE 100 -9.937 6.219 6.453 823 HZ PHE 100 HZ PHE 100 -8.304 6.442 8.283 824 H LYS 101 H LYS 101 -6.253 10.507 4.736 825 HA LYS 101 HA LYS 101 -8.709 10.746 5.892 826 HB2 LYS 101 HB2 LYS 101 -6.195 12.019 6.034 827 HB3 LYS 101 HB3 LYS 101 -7.405 13.288 5.935 828 HG2 LYS 101 HG2 LYS 101 -7.406 11.038 7.931 829 HG3 LYS 101 HG3 LYS 101 -6.859 12.686 8.245 830 HD2 LYS 101 HD2 LYS 101 -9.646 11.827 7.479 831 HD3 LYS 101 HD3 LYS 101 -9.116 12.391 9.065 832 HE2 LYS 101 HE2 LYS 101 -8.460 14.544 7.977 833 HE3 LYS 101 HE3 LYS 101 -9.225 13.966 6.502 834 HZ1 LYS 101 HZ1 LYS 101 -10.631 14.264 9.103 835 HZ2 LYS 101 HZ2 LYS 101 -11.329 13.865 7.602 836 HZ3 LYS 101 HZ3 LYS 101 -10.672 15.404 7.850 837 H ASP 102 H ASP 102 -7.464 12.582 3.125 838 HA ASP 102 HA ASP 102 -10.112 13.830 2.876 839 HB2 ASP 102 HB2 ASP 102 -8.288 15.443 3.037 840 HB3 ASP 102 HB3 ASP 102 -7.465 14.670 1.686 841 H PHE 103 H PHE 103 -7.619 12.146 1.135 842 HA PHE 103 HA PHE 103 -7.570 10.919 -0.785 843 HB2 PHE 103 HB2 PHE 103 -9.092 9.677 0.909 844 HB3 PHE 103 HB3 PHE 103 -10.408 10.150 -0.158 845 HD1 PHE 103 HD1 PHE 103 -7.024 8.599 -0.380 846 HD2 PHE 103 HD2 PHE 103 -11.049 8.640 -1.758 847 HE1 PHE 103 HE1 PHE 103 -6.557 6.640 -1.791 848 HE2 PHE 103 HE2 PHE 103 -10.588 6.682 -3.174 849 HZ PHE 103 HZ PHE 103 -8.339 5.680 -3.192 850 H GLY 104 H GLY 104 -8.442 13.657 -1.210 851 HA2 GLY 104 HA2 GLY 104 -8.944 14.713 -3.253 852 HA3 GLY 104 HA3 GLY 104 -9.765 13.250 -3.783 853 H LEU 105 H LEU 105 -10.020 15.693 -1.237 854 HA LEU 105 HA LEU 105 -11.709 17.004 -0.528 855 HB2 LEU 105 HB2 LEU 105 -12.230 17.455 -2.864 856 HB3 LEU 105 HB3 LEU 105 -13.202 15.999 -2.948 857 HG LEU 105 HG LEU 105 -14.803 16.945 -1.360 858 HD11 LEU 105 HD11 LEU 105 -13.257 18.320 -0.058 859 HD12 LEU 105 HD12 LEU 105 -14.635 19.262 -0.631 860 HD13 LEU 105 HD13 LEU 105 -13.070 19.410 -1.431 861 HD21 LEU 105 HD21 LEU 105 -15.700 18.727 -2.783 862 HD22 LEU 105 HD22 LEU 105 -15.165 17.339 -3.731 863 HD23 LEU 105 HD23 LEU 105 -14.170 18.795 -3.657 864 H GLU 106 H GLU 106 -11.845 15.785 1.317 865 HA GLU 106 HA GLU 106 -13.717 13.619 1.576 866 HB2 GLU 106 HB2 GLU 106 -11.812 13.706 3.062 867 HB3 GLU 106 HB3 GLU 106 -12.251 15.318 3.606 868 HG2 GLU 106 HG2 GLU 106 -14.484 13.973 4.271 869 HG3 GLU 106 HG3 GLU 106 -13.284 12.689 4.429 870 H HIS 107 H HIS 107 -13.723 16.466 3.615 871 HA HIS 107 HA HIS 107 -16.422 17.225 2.785 872 HB2 HIS 107 HB2 HIS 107 -16.329 15.515 4.787 873 HB3 HIS 107 HB3 HIS 107 -15.817 16.915 5.715 874 HD1 HIS 107 HD1 HIS 107 -18.718 15.071 5.017 875 HD2 HIS 107 HD2 HIS 107 -17.900 19.146 5.237 876 HE1 HIS 107 HE1 HIS 107 -20.930 16.191 5.436 877 HE2 HIS 107 HE2 HIS 107 -20.438 18.660 5.405 878 H HIS 108 H HIS 108 -13.464 18.091 2.959 879 HA HIS 108 HA HIS 108 -12.182 19.899 3.406 880 HB2 HIS 108 HB2 HIS 108 -14.031 20.891 1.951 881 HB3 HIS 108 HB3 HIS 108 -14.752 21.491 3.439 882 HD1 HIS 108 HD1 HIS 108 -13.220 22.982 0.865 883 HD2 HIS 108 HD2 HIS 108 -12.080 22.747 4.862 884 HE1 HIS 108 HE1 HIS 108 -11.689 24.939 1.255 885 HE2 HIS 108 HE2 HIS 108 -10.876 24.669 3.623 886 H HIS 109 H HIS 109 -12.245 18.598 5.591 887 HA HIS 109 HA HIS 109 -13.102 20.369 7.754 888 HB2 HIS 109 HB2 HIS 109 -11.959 17.575 7.719 889 HB3 HIS 109 HB3 HIS 109 -12.047 18.517 9.203 890 HD1 HIS 109 HD1 HIS 109 -13.909 16.142 7.276 891 HD2 HIS 109 HD2 HIS 109 -14.870 19.364 9.729 892 HE1 HIS 109 HE1 HIS 109 -16.309 15.795 7.957 893 HE2 HIS 109 HE2 HIS 109 -16.931 17.879 9.224 894 H HIS 110 H HIS 110 -11.751 21.795 8.638 895 HA HIS 110 HA HIS 110 -9.198 22.258 7.563 896 HB2 HIS 110 HB2 HIS 110 -10.692 23.920 8.791 897 HB3 HIS 110 HB3 HIS 110 -10.106 23.197 10.287 898 HD1 HIS 110 HD1 HIS 110 -8.709 24.905 7.194 899 HD2 HIS 110 HD2 HIS 110 -7.808 24.313 11.210 900 HE1 HIS 110 HE1 HIS 110 -6.646 26.271 7.635 901 HE2 HIS 110 HE2 HIS 110 -6.251 26.063 10.116 902 H HIS 111 H HIS 111 -7.335 21.282 7.902 903 HA HIS 111 HA HIS 111 -7.207 18.866 9.214 904 HB2 HIS 111 HB2 HIS 111 -4.868 18.796 8.737 905 HB3 HIS 111 HB3 HIS 111 -5.653 19.624 7.403 906 HD1 HIS 111 HD1 HIS 111 -5.021 22.096 7.008 907 HD2 HIS 111 HD2 HIS 111 -3.117 20.363 10.280 908 HE1 HIS 111 HE1 HIS 111 -3.215 23.708 7.678 909 HE2 HIS 111 HE2 HIS 111 -1.954 22.552 9.528 910 H HIS 112 H HIS 112 -6.983 18.204 11.175 911 HA HIS 112 HA HIS 112 -5.157 19.185 13.039 912 HB2 HIS 112 HB2 HIS 112 -6.869 21.043 13.200 913 HB3 HIS 112 HB3 HIS 112 -8.016 19.843 13.791 914 HD1 HIS 112 HD1 HIS 112 -8.257 20.662 16.169 915 HD2 HIS 112 HD2 HIS 112 -4.292 20.108 15.038 916 HE1 HIS 112 HE1 HIS 112 -6.903 20.915 18.278 917 HE2 HIS 112 HE2 HIS 112 -4.522 20.442 17.588 Start of MODEL 11 1 H1 MET 1 H1 MET 1 16.834 -14.940 12.210 2 H2 MET 1 H2 MET 1 16.660 -14.596 13.864 3 H3 MET 1 H3 MET 1 17.954 -13.937 12.994 4 HA MET 1 HA MET 1 15.116 -13.360 12.420 5 HB2 MET 1 HB2 MET 1 15.502 -11.172 13.491 6 HB3 MET 1 HB3 MET 1 15.646 -12.499 14.630 7 HG2 MET 1 HG2 MET 1 17.383 -11.062 15.191 8 HG3 MET 1 HG3 MET 1 18.162 -12.327 14.247 9 HE1 MET 1 HE1 MET 1 20.190 -9.058 13.376 10 HE2 MET 1 HE2 MET 1 20.284 -10.688 14.045 11 HE3 MET 1 HE3 MET 1 19.427 -9.420 14.923 12 H ASN 2 H ASN 2 15.042 -11.168 11.267 13 HA ASN 2 HA ASN 2 17.390 -10.519 9.712 14 HB2 ASN 2 HB2 ASN 2 16.407 -12.361 8.392 15 HB3 ASN 2 HB3 ASN 2 14.875 -11.494 8.326 16 HD21 ASN 2 HD21 ASN 2 18.228 -11.470 7.302 17 HD22 ASN 2 HD22 ASN 2 17.999 -10.406 5.950 18 H ASN 3 H ASN 3 17.472 -8.400 9.841 19 HA ASN 3 HA ASN 3 14.975 -6.849 9.863 20 HB2 ASN 3 HB2 ASN 3 16.494 -6.471 11.787 21 HB3 ASN 3 HB3 ASN 3 17.762 -5.975 10.671 22 HD21 ASN 3 HD21 ASN 3 17.945 -3.905 11.448 23 HD22 ASN 3 HD22 ASN 3 16.705 -2.713 11.248 24 HA PRO 4 HA PRO 4 16.696 -6.322 5.715 25 HB2 PRO 4 HB2 PRO 4 14.107 -6.115 4.588 26 HB3 PRO 4 HB3 PRO 4 15.161 -7.528 4.595 27 HG2 PRO 4 HG2 PRO 4 12.730 -7.264 5.966 28 HG3 PRO 4 HG3 PRO 4 13.942 -8.529 6.212 29 HD2 PRO 4 HD2 PRO 4 13.412 -6.080 7.807 30 HD3 PRO 4 HD3 PRO 4 14.050 -7.652 8.329 31 H SER 5 H SER 5 17.454 -4.214 6.351 32 HA SER 5 HA SER 5 15.696 -2.014 5.549 33 HB2 SER 5 HB2 SER 5 17.685 -0.615 6.351 34 HB3 SER 5 HB3 SER 5 16.845 -1.548 7.591 35 HG SER 5 HG SER 5 18.811 -2.218 7.999 36 H ASP 6 H ASP 6 16.867 -4.083 3.779 37 HA ASP 6 HA ASP 6 19.039 -2.808 2.369 38 HB2 ASP 6 HB2 ASP 6 18.724 -5.329 2.898 39 HB3 ASP 6 HB3 ASP 6 17.663 -5.326 1.494 40 H PHE 7 H PHE 7 15.884 -2.339 2.325 41 HA PHE 7 HA PHE 7 15.962 -1.404 -0.440 42 HB2 PHE 7 HB2 PHE 7 13.316 -1.740 -0.179 43 HB3 PHE 7 HB3 PHE 7 14.384 -2.977 -0.824 44 HD1 PHE 7 HD2 PHE 7 12.608 -1.873 2.219 45 HD2 PHE 7 HD1 PHE 7 14.608 -5.053 0.221 46 HE1 PHE 7 HE2 PHE 7 11.815 -3.447 3.934 47 HE2 PHE 7 HE1 PHE 7 13.815 -6.631 1.929 48 HZ PHE 7 HZ PHE 7 12.418 -5.830 3.788 49 H LYS 8 H LYS 8 15.445 0.636 -0.749 50 HA LYS 8 HA LYS 8 14.806 2.249 1.611 51 HB2 LYS 8 HB2 LYS 8 15.640 4.098 0.230 52 HB3 LYS 8 HB3 LYS 8 16.810 2.805 0.381 53 HG2 LYS 8 HG2 LYS 8 16.122 1.981 -1.842 54 HG3 LYS 8 HG3 LYS 8 15.065 3.386 -1.991 55 HD2 LYS 8 HD2 LYS 8 16.995 4.869 -1.823 56 HD3 LYS 8 HD3 LYS 8 18.063 3.475 -1.626 57 HE2 LYS 8 HE2 LYS 8 17.346 2.662 -3.846 58 HE3 LYS 8 HE3 LYS 8 16.369 4.115 -4.037 59 HZ1 LYS 8 HZ1 LYS 8 18.395 5.441 -3.887 60 HZ2 LYS 8 HZ2 LYS 8 18.473 4.333 -5.165 61 HZ3 LYS 8 HZ3 LYS 8 19.325 4.028 -3.731 62 H SER 9 H SER 9 13.354 0.929 -1.040 63 HA SER 9 HA SER 9 11.627 3.143 -1.729 64 HB2 SER 9 HB2 SER 9 10.636 0.895 -2.981 65 HB3 SER 9 HB3 SER 9 11.841 2.002 -3.651 66 HG SER 9 HG SER 9 13.417 0.623 -3.163 67 H PHE 10 H PHE 10 9.453 3.314 -1.333 68 HA PHE 10 HA PHE 10 8.541 2.216 1.095 69 HB2 PHE 10 HB2 PHE 10 7.233 3.879 -1.036 70 HB3 PHE 10 HB3 PHE 10 6.319 3.286 0.350 71 HD1 PHE 10 HD1 PHE 10 9.420 5.167 -0.498 72 HD2 PHE 10 HD2 PHE 10 6.297 4.500 2.311 73 HE1 PHE 10 HE1 PHE 10 10.252 7.037 0.863 74 HE2 PHE 10 HE2 PHE 10 7.124 6.372 3.678 75 HZ PHE 10 HZ PHE 10 9.105 7.639 2.956 76 H HIS 11 H HIS 11 7.518 1.545 -2.279 77 HA HIS 11 HA HIS 11 5.554 -0.337 -1.448 78 HB2 HIS 11 HB2 HIS 11 5.061 -0.678 -3.675 79 HB3 HIS 11 HB3 HIS 11 5.774 0.921 -3.736 80 HD1 HIS 11 HD1 HIS 11 7.868 1.202 -5.172 81 HD2 HIS 11 HD2 HIS 11 6.653 -2.757 -4.814 82 HE1 HIS 11 HE1 HIS 11 9.153 -0.057 -6.924 83 HE2 HIS 11 HE2 HIS 11 8.271 -2.417 -6.807 84 H ASP 12 H ASP 12 8.915 -0.477 -1.912 85 HA ASP 12 HA ASP 12 9.121 -3.332 -2.113 86 HB2 ASP 12 HB2 ASP 12 11.060 -1.062 -1.771 87 HB3 ASP 12 HB3 ASP 12 11.610 -2.723 -1.620 88 H PHE 13 H PHE 13 9.633 -0.893 0.396 89 HA PHE 13 HA PHE 13 10.417 -2.678 2.427 90 HB2 PHE 13 HB2 PHE 13 10.723 -0.174 2.430 91 HB3 PHE 13 HB3 PHE 13 9.014 -0.028 2.813 92 HD1 PHE 13 HD1 PHE 13 8.165 -0.813 5.001 93 HD2 PHE 13 HD2 PHE 13 12.318 -0.799 4.073 94 HE1 PHE 13 HE1 PHE 13 8.699 -1.030 7.395 95 HE2 PHE 13 HE2 PHE 13 12.858 -1.019 6.461 96 HZ PHE 13 HZ PHE 13 11.048 -1.135 8.128 97 H VAL 14 H VAL 14 7.256 -1.322 1.552 98 HA VAL 14 HA VAL 14 5.747 -2.362 3.658 99 HB VAL 14 HB VAL 14 4.905 -1.776 0.812 100 HG11 VAL 14 HG11 VAL 14 3.323 -3.331 1.812 101 HG12 VAL 14 HG12 VAL 14 2.604 -1.727 1.669 102 HG13 VAL 14 HG13 VAL 14 3.184 -2.297 3.233 103 HG21 VAL 14 HG21 VAL 14 4.006 0.285 1.763 104 HG22 VAL 14 HG22 VAL 14 5.741 0.156 2.054 105 HG23 VAL 14 HG23 VAL 14 4.600 -0.183 3.357 106 H ALA 15 H ALA 15 6.761 -3.858 0.622 107 HA ALA 15 HA ALA 15 5.072 -6.101 0.715 108 HB1 ALA 15 HB1 ALA 15 7.836 -5.909 -0.485 109 HB2 ALA 15 HB2 ALA 15 6.337 -5.440 -1.286 110 HB3 ALA 15 HB3 ALA 15 6.620 -7.128 -0.861 111 H SER 16 H SER 16 8.182 -5.461 2.221 112 HA SER 16 HA SER 16 8.391 -8.151 3.258 113 HB2 SER 16 HB2 SER 16 10.390 -6.758 2.638 114 HB3 SER 16 HB3 SER 16 10.027 -5.726 4.019 115 HG SER 16 HG SER 16 10.884 -7.156 5.285 116 H TYR 17 H TYR 17 7.440 -4.952 4.398 117 HA TYR 17 HA TYR 17 7.229 -5.584 7.137 118 HB2 TYR 17 HB2 TYR 17 7.222 -3.264 6.317 119 HB3 TYR 17 HB3 TYR 17 5.662 -3.535 5.548 120 HD1 TYR 17 HD2 TYR 17 7.350 -3.514 8.866 121 HD2 TYR 17 HD1 TYR 17 3.675 -3.182 6.745 122 HE1 TYR 17 HE2 TYR 17 6.213 -2.861 10.945 123 HE2 TYR 17 HE1 TYR 17 2.531 -2.530 8.823 124 HH TYR 17 HH TYR 17 2.851 -2.797 11.263 125 H MET 18 H MET 18 4.882 -5.762 4.486 126 HA MET 18 HA MET 18 2.700 -6.670 6.009 127 HB2 MET 18 HB2 MET 18 2.484 -5.901 3.669 128 HB3 MET 18 HB3 MET 18 3.384 -7.312 3.131 129 HG2 MET 18 HG2 MET 18 1.650 -8.783 3.722 130 HG3 MET 18 HG3 MET 18 0.824 -7.553 4.676 131 HE1 MET 18 HE1 MET 18 -0.562 -5.588 3.701 132 HE2 MET 18 HE2 MET 18 -0.633 -5.177 1.987 133 HE3 MET 18 HE3 MET 18 0.883 -5.010 2.873 134 H LYS 19 H LYS 19 5.220 -8.403 4.268 135 HA LYS 19 HA LYS 19 4.525 -11.027 4.809 136 HB2 LYS 19 HB2 LYS 19 6.301 -10.383 3.273 137 HB3 LYS 19 HB3 LYS 19 7.261 -9.758 4.604 138 HG2 LYS 19 HG2 LYS 19 7.378 -12.059 5.526 139 HG3 LYS 19 HG3 LYS 19 6.551 -12.630 4.070 140 HD2 LYS 19 HD2 LYS 19 8.342 -11.707 2.694 141 HD3 LYS 19 HD3 LYS 19 9.171 -11.138 4.142 142 HE2 LYS 19 HE2 LYS 19 9.370 -13.464 4.914 143 HE3 LYS 19 HE3 LYS 19 8.586 -14.010 3.430 144 HZ1 LYS 19 HZ1 LYS 19 11.153 -12.519 3.580 145 HZ2 LYS 19 HZ2 LYS 19 10.409 -13.069 2.159 146 HZ3 LYS 19 HZ3 LYS 19 10.997 -14.185 3.292 147 H THR 20 H THR 20 6.205 -8.688 6.816 148 HA THR 20 HA THR 20 7.203 -10.326 8.817 149 HB THR 20 HB THR 20 6.107 -7.528 9.160 150 HG1 THR 20 HG1 THR 20 7.951 -8.175 7.546 151 HG21 THR 20 HG21 THR 20 7.654 -7.368 11.037 152 HG22 THR 20 HG22 THR 20 8.182 -9.027 10.762 153 HG23 THR 20 HG23 THR 20 6.529 -8.706 11.284 154 H TYR 21 H TYR 21 3.975 -8.722 8.730 155 HA TYR 21 HA TYR 21 3.250 -10.195 11.112 156 HB2 TYR 21 HB2 TYR 21 1.228 -8.899 11.143 157 HB3 TYR 21 HB3 TYR 21 2.586 -7.827 10.888 158 HD1 TYR 21 HD1 TYR 21 -0.267 -9.485 9.200 159 HD2 TYR 21 HD2 TYR 21 2.666 -6.412 9.008 160 HE1 TYR 21 HE1 TYR 21 -1.437 -8.500 7.280 161 HE2 TYR 21 HE2 TYR 21 1.505 -5.421 7.080 162 HH TYR 21 HH TYR 21 -1.637 -6.347 6.160 163 H SER 22 H SER 22 3.082 -10.629 7.772 164 HA SER 22 HA SER 22 0.732 -12.205 7.607 165 HB2 SER 22 HB2 SER 22 3.190 -12.095 5.854 166 HB3 SER 22 HB3 SER 22 1.748 -13.031 5.458 167 HG SER 22 HG SER 22 1.921 -10.220 5.835 168 H ARG 23 H ARG 23 3.653 -12.785 9.137 169 HA ARG 23 HA ARG 23 3.996 -15.547 8.799 170 HB2 ARG 23 HB2 ARG 23 4.628 -13.738 11.132 171 HB3 ARG 23 HB3 ARG 23 5.133 -15.420 11.041 172 HG2 ARG 23 HG2 ARG 23 6.445 -14.952 9.058 173 HG3 ARG 23 HG3 ARG 23 5.885 -13.279 9.059 174 HD2 ARG 23 HD2 ARG 23 8.143 -13.511 10.002 175 HD3 ARG 23 HD3 ARG 23 6.990 -12.873 11.171 176 HE ARG 23 HE ARG 23 6.890 -15.232 12.042 177 HH11 ARG 23 HH11 ARG 23 9.741 -14.033 10.375 178 HH12 ARG 23 HH12 ARG 23 10.827 -15.089 11.239 179 HH21 ARG 23 HH21 ARG 23 8.295 -16.592 13.150 180 HH22 ARG 23 HH22 ARG 23 9.998 -16.554 12.808 181 H ARG 24 H ARG 24 1.601 -13.759 10.542 182 HA ARG 24 HA ARG 24 0.723 -16.145 11.995 183 HB2 ARG 24 HB2 ARG 24 -0.841 -14.680 13.146 184 HB3 ARG 24 HB3 ARG 24 0.782 -14.012 13.223 185 HG2 ARG 24 HG2 ARG 24 0.233 -12.453 11.432 186 HG3 ARG 24 HG3 ARG 24 -1.392 -13.129 11.337 187 HD2 ARG 24 HD2 ARG 24 -0.206 -11.818 13.780 188 HD3 ARG 24 HD3 ARG 24 -1.274 -11.020 12.628 189 HE ARG 24 HE ARG 24 -2.699 -13.201 13.385 190 HH11 ARG 24 HH11 ARG 24 -1.129 -10.589 15.104 191 HH12 ARG 24 HH12 ARG 24 -2.210 -10.646 16.463 192 HH21 ARG 24 HH21 ARG 24 -4.135 -13.301 15.172 193 HH22 ARG 24 HH22 ARG 24 -3.917 -12.202 16.510 194 H LEU 25 H LEU 25 0.431 -15.104 8.990 195 HA LEU 25 HA LEU 25 -2.379 -15.900 8.689 196 HB2 LEU 25 HB2 LEU 25 -0.610 -14.029 7.185 197 HB3 LEU 25 HB3 LEU 25 -1.808 -14.922 6.277 198 HG LEU 25 HG LEU 25 -3.582 -13.945 7.689 199 HD11 LEU 25 HD11 LEU 25 -2.251 -13.551 9.703 200 HD12 LEU 25 HD12 LEU 25 -3.068 -12.084 9.164 201 HD13 LEU 25 HD13 LEU 25 -1.344 -12.298 8.855 202 HD21 LEU 25 HD21 LEU 25 -3.000 -12.903 5.575 203 HD22 LEU 25 HD22 LEU 25 -1.740 -11.955 6.365 204 HD23 LEU 25 HD23 LEU 25 -3.436 -11.676 6.764 205 H GLU 26 H GLU 26 -2.788 -17.078 6.612 206 HA GLU 26 HA GLU 26 -0.829 -19.086 6.020 207 HB2 GLU 26 HB2 GLU 26 -3.550 -18.874 5.800 208 HB3 GLU 26 HB3 GLU 26 -3.039 -18.651 4.138 209 HG2 GLU 26 HG2 GLU 26 -2.251 -20.980 5.860 210 HG3 GLU 26 HG3 GLU 26 -3.609 -20.961 4.745 211 H ILE 27 H ILE 27 0.105 -19.341 3.873 212 HA ILE 27 HA ILE 27 1.166 -16.910 2.861 213 HB ILE 27 HB ILE 27 1.242 -19.681 1.652 214 HG12 ILE 27 HG12 ILE 27 3.229 -18.123 3.318 215 HG13 ILE 27 HG13 ILE 27 2.353 -19.567 3.812 216 HG21 ILE 27 HG21 ILE 27 1.589 -17.971 -0.057 217 HG22 ILE 27 HG22 ILE 27 3.084 -18.848 0.274 218 HG23 ILE 27 HG23 ILE 27 2.847 -17.229 0.933 219 HD11 ILE 27 HD11 ILE 27 3.549 -20.860 2.112 220 HD12 ILE 27 HD12 ILE 27 4.646 -20.096 3.262 221 HD13 ILE 27 HD13 ILE 27 4.441 -19.410 1.652 222 H GLY 28 H GLY 28 -1.517 -18.972 1.962 223 HA2 GLY 28 HA2 GLY 28 -2.131 -17.860 -0.543 224 HA3 GLY 28 HA3 GLY 28 -3.286 -18.613 0.548 225 H THR 29 H THR 29 -3.249 -16.911 2.706 226 HA THR 29 HA THR 29 -4.917 -14.808 1.844 227 HB THR 29 HB THR 29 -3.456 -14.878 4.488 228 HG1 THR 29 HG1 THR 29 -5.778 -16.339 3.666 229 HG21 THR 29 HG21 THR 29 -5.506 -13.827 5.318 230 HG22 THR 29 HG22 THR 29 -6.208 -13.901 3.702 231 HG23 THR 29 HG23 THR 29 -4.804 -12.880 4.008 232 H PHE 30 H PHE 30 -1.521 -15.014 2.662 233 HA PHE 30 HA PHE 30 -0.938 -12.251 2.545 234 HB2 PHE 30 HB2 PHE 30 0.550 -13.791 3.674 235 HB3 PHE 30 HB3 PHE 30 0.817 -14.686 2.185 236 HD1 PHE 30 HD2 PHE 30 0.850 -11.014 2.799 237 HD2 PHE 30 HD1 PHE 30 3.066 -14.488 1.733 238 HE1 PHE 30 HE2 PHE 30 2.810 -9.612 2.316 239 HE2 PHE 30 HE1 PHE 30 5.031 -13.090 1.251 240 HZ PHE 30 HZ PHE 30 4.903 -10.652 1.546 241 H ARG 31 H ARG 31 -0.469 -14.854 0.131 242 HA ARG 31 HA ARG 31 0.712 -13.159 -1.796 243 HB2 ARG 31 HB2 ARG 31 0.353 -14.972 -3.403 244 HB3 ARG 31 HB3 ARG 31 1.041 -15.557 -1.896 245 HG2 ARG 31 HG2 ARG 31 -1.001 -16.539 -1.236 246 HG3 ARG 31 HG3 ARG 31 -1.896 -15.705 -2.510 247 HD2 ARG 31 HD2 ARG 31 0.317 -17.659 -3.078 248 HD3 ARG 31 HD3 ARG 31 -1.370 -18.146 -2.917 249 HE ARG 31 HE ARG 31 -1.877 -16.756 -4.834 250 HH11 ARG 31 HH11 ARG 31 1.530 -17.442 -4.290 251 HH12 ARG 31 HH12 ARG 31 1.970 -17.119 -5.943 252 HH21 ARG 31 HH21 ARG 31 -1.294 -16.336 -6.974 253 HH22 ARG 31 HH22 ARG 31 0.365 -16.501 -7.474 254 H HIS 32 H HIS 32 -2.633 -13.622 -0.961 255 HA HIS 32 HA HIS 32 -3.710 -12.728 -3.443 256 HB2 HIS 32 HB2 HIS 32 -4.786 -13.107 -0.703 257 HB3 HIS 32 HB3 HIS 32 -5.665 -12.012 -1.764 258 HD1 HIS 32 HD1 HIS 32 -7.112 -13.033 -3.554 259 HD2 HIS 32 HD2 HIS 32 -4.634 -15.817 -1.701 260 HE1 HIS 32 HE1 HIS 32 -7.875 -15.281 -4.380 261 HE2 HIS 32 HE2 HIS 32 -6.273 -16.937 -3.362 262 H HIS 33 H HIS 33 -2.262 -11.108 -0.769 263 HA HIS 33 HA HIS 33 -2.989 -8.478 -1.863 264 HB2 HIS 33 HB2 HIS 33 -1.495 -9.287 0.648 265 HB3 HIS 33 HB3 HIS 33 -1.693 -7.619 0.130 266 HD1 HIS 33 HD1 HIS 33 -3.400 -10.342 1.934 267 HD2 HIS 33 HD2 HIS 33 -4.384 -6.659 0.277 268 HE1 HIS 33 HE1 HIS 33 -5.611 -9.713 2.950 269 HE2 HIS 33 HE2 HIS 33 -6.053 -7.372 2.120 270 H LYS 34 H LYS 34 -0.545 -10.819 -1.676 271 HA LYS 34 HA LYS 34 1.711 -9.123 -2.193 272 HB2 LYS 34 HB2 LYS 34 1.577 -11.270 -0.810 273 HB3 LYS 34 HB3 LYS 34 1.560 -12.127 -2.337 274 HG2 LYS 34 HG2 LYS 34 3.759 -10.204 -1.773 275 HG3 LYS 34 HG3 LYS 34 3.771 -11.797 -1.016 276 HD2 LYS 34 HD2 LYS 34 3.412 -12.728 -3.359 277 HD3 LYS 34 HD3 LYS 34 3.832 -11.113 -3.938 278 HE2 LYS 34 HE2 LYS 34 5.814 -12.401 -3.967 279 HE3 LYS 34 HE3 LYS 34 5.937 -11.292 -2.606 280 HZ1 LYS 34 HZ1 LYS 34 5.214 -13.122 -1.154 281 HZ2 LYS 34 HZ2 LYS 34 6.672 -13.456 -1.931 282 HZ3 LYS 34 HZ3 LYS 34 5.237 -14.175 -2.479 283 H SER 35 H SER 35 -0.589 -10.872 -4.075 284 HA SER 35 HA SER 35 0.914 -11.324 -6.409 285 HB2 SER 35 HB2 SER 35 -1.433 -11.287 -7.495 286 HB3 SER 35 HB3 SER 35 -1.121 -12.497 -6.250 287 HG SER 35 HG SER 35 -3.031 -10.678 -6.276 288 H CYS 36 H CYS 36 -1.004 -8.570 -5.332 289 HA CYS 36 HA CYS 36 -0.768 -6.971 -7.627 290 HB2 CYS 36 HB2 CYS 36 -0.987 -6.217 -4.706 291 HB3 CYS 36 HB3 CYS 36 -1.143 -5.076 -6.032 292 HG CYS 36 HG CYS 36 -3.293 -6.957 -7.058 293 H MET 37 H MET 37 1.188 -7.119 -4.696 294 HA MET 37 HA MET 37 3.168 -5.289 -5.409 295 HB2 MET 37 HB2 MET 37 3.384 -7.751 -3.668 296 HB3 MET 37 HB3 MET 37 4.579 -6.464 -3.742 297 HG2 MET 37 HG2 MET 37 2.979 -4.878 -2.872 298 HG3 MET 37 HG3 MET 37 1.716 -6.108 -2.887 299 HE1 MET 37 HE1 MET 37 1.233 -5.430 -0.344 300 HE2 MET 37 HE2 MET 37 2.580 -4.291 -0.332 301 HE3 MET 37 HE3 MET 37 2.446 -5.510 0.934 302 H ARG 38 H ARG 38 2.958 -8.776 -6.021 303 HA ARG 38 HA ARG 38 5.486 -9.086 -7.206 304 HB2 ARG 38 HB2 ARG 38 2.957 -10.619 -7.147 305 HB3 ARG 38 HB3 ARG 38 4.052 -10.975 -8.472 306 HG2 ARG 38 HG2 ARG 38 4.667 -11.149 -5.533 307 HG3 ARG 38 HG3 ARG 38 4.435 -12.498 -6.647 308 HD2 ARG 38 HD2 ARG 38 6.386 -11.411 -7.968 309 HD3 ARG 38 HD3 ARG 38 6.717 -10.568 -6.454 310 HE ARG 38 HE ARG 38 6.568 -13.509 -6.571 311 HH11 ARG 38 HH11 ARG 38 8.219 -10.572 -5.618 312 HH12 ARG 38 HH12 ARG 38 9.581 -11.411 -4.937 313 HH21 ARG 38 HH21 ARG 38 8.348 -14.615 -5.690 314 HH22 ARG 38 HH22 ARG 38 9.652 -13.715 -4.971 315 H LYS 39 H LYS 39 2.340 -8.237 -8.588 316 HA LYS 39 HA LYS 39 3.141 -8.344 -11.282 317 HB2 LYS 39 HB2 LYS 39 0.825 -8.480 -10.548 318 HB3 LYS 39 HB3 LYS 39 0.915 -6.845 -9.911 319 HG2 LYS 39 HG2 LYS 39 1.290 -5.999 -12.176 320 HG3 LYS 39 HG3 LYS 39 1.129 -7.645 -12.797 321 HD2 LYS 39 HD2 LYS 39 -0.949 -6.489 -13.025 322 HD3 LYS 39 HD3 LYS 39 -1.128 -7.755 -11.827 323 HE2 LYS 39 HE2 LYS 39 -0.856 -6.084 -10.053 324 HE3 LYS 39 HE3 LYS 39 -0.704 -4.820 -11.274 325 HZ1 LYS 39 HZ1 LYS 39 -2.939 -5.345 -12.035 326 HZ2 LYS 39 HZ2 LYS 39 -2.944 -4.914 -10.392 327 HZ3 LYS 39 HZ3 LYS 39 -3.084 -6.540 -10.842 328 H PHE 40 H PHE 40 2.781 -5.636 -9.000 329 HA PHE 40 HA PHE 40 3.725 -3.651 -10.793 330 HB2 PHE 40 HB2 PHE 40 2.377 -3.220 -8.713 331 HB3 PHE 40 HB3 PHE 40 3.819 -3.577 -7.770 332 HD1 PHE 40 HD1 PHE 40 2.476 -1.296 -10.364 333 HD2 PHE 40 HD2 PHE 40 5.393 -1.910 -7.328 334 HE1 PHE 40 HE1 PHE 40 3.170 1.058 -10.558 335 HE2 PHE 40 HE2 PHE 40 6.094 0.440 -7.516 336 HZ PHE 40 HZ PHE 40 4.978 1.928 -9.133 337 H LYS 41 H LYS 41 5.253 -5.900 -8.655 338 HA LYS 41 HA LYS 41 7.318 -6.768 -8.670 339 HB2 LYS 41 HB2 LYS 41 7.876 -4.781 -10.864 340 HB3 LYS 41 HB3 LYS 41 9.030 -5.983 -10.304 341 HG2 LYS 41 HG2 LYS 41 7.383 -7.747 -10.910 342 HG3 LYS 41 HG3 LYS 41 6.370 -6.485 -11.617 343 HD2 LYS 41 HD2 LYS 41 9.186 -7.188 -12.446 344 HD3 LYS 41 HD3 LYS 41 7.711 -7.582 -13.329 345 HE2 LYS 41 HE2 LYS 41 7.250 -5.209 -13.639 346 HE3 LYS 41 HE3 LYS 41 8.693 -4.797 -12.716 347 HZ1 LYS 41 HZ1 LYS 41 9.999 -6.009 -14.422 348 HZ2 LYS 41 HZ2 LYS 41 9.206 -4.634 -15.019 349 HZ3 LYS 41 HZ3 LYS 41 8.581 -6.177 -15.342 350 H GLU 42 H GLU 42 8.597 -6.537 -7.042 351 HA GLU 42 HA GLU 42 9.308 -4.031 -5.894 352 HB2 GLU 42 HB2 GLU 42 10.890 -5.435 -4.535 353 HB3 GLU 42 HB3 GLU 42 9.213 -5.951 -4.464 354 HG2 GLU 42 HG2 GLU 42 9.717 -7.684 -6.151 355 HG3 GLU 42 HG3 GLU 42 11.412 -7.203 -6.091 356 H TYR 43 H TYR 43 11.292 -2.929 -6.018 357 HA TYR 43 HA TYR 43 13.010 -3.765 -8.262 358 HB2 TYR 43 HB2 TYR 43 11.907 -0.987 -7.788 359 HB3 TYR 43 HB3 TYR 43 13.204 -1.349 -8.915 360 HD1 TYR 43 HD1 TYR 43 12.580 -3.246 -10.689 361 HD2 TYR 43 HD2 TYR 43 9.780 -0.811 -8.610 362 HE1 TYR 43 HE1 TYR 43 10.932 -3.619 -12.478 363 HE2 TYR 43 HE2 TYR 43 8.125 -1.183 -10.385 364 HH TYR 43 HH TYR 43 8.055 -1.791 -12.728 365 H CYS 44 H CYS 44 13.023 -0.842 -6.318 366 HA CYS 44 HA CYS 44 15.107 -1.429 -4.573 367 HB2 CYS 44 HB2 CYS 44 16.962 -0.178 -5.746 368 HB3 CYS 44 HB3 CYS 44 16.569 -1.748 -6.439 369 HG CYS 44 HG CYS 44 16.872 1.022 -8.004 370 H GLU 45 H GLU 45 13.550 0.966 -6.637 371 HA GLU 45 HA GLU 45 13.047 2.620 -4.346 372 HB2 GLU 45 HB2 GLU 45 14.061 4.662 -5.294 373 HB3 GLU 45 HB3 GLU 45 15.252 3.443 -4.872 374 HG2 GLU 45 HG2 GLU 45 15.453 2.807 -7.209 375 HG3 GLU 45 HG3 GLU 45 14.231 4.002 -7.644 376 H GLY 46 H GLY 46 12.225 4.928 -5.502 377 HA2 GLY 46 HA2 GLY 46 10.804 4.926 -7.838 378 HA3 GLY 46 HA3 GLY 46 9.748 4.116 -6.686 379 H LEU 47 H LEU 47 8.361 5.413 -5.693 380 HA LEU 47 HA LEU 47 9.020 8.246 -5.467 381 HB2 LEU 47 HB2 LEU 47 6.723 8.733 -5.253 382 HB3 LEU 47 HB3 LEU 47 6.875 7.602 -6.571 383 HG LEU 47 HG LEU 47 4.921 7.012 -5.440 384 HD11 LEU 47 HD11 LEU 47 5.300 4.788 -4.546 385 HD12 LEU 47 HD12 LEU 47 7.025 5.131 -4.417 386 HD13 LEU 47 HD13 LEU 47 6.254 5.073 -6.002 387 HD21 LEU 47 HD21 LEU 47 4.719 6.631 -3.046 388 HD22 LEU 47 HD22 LEU 47 5.223 8.282 -3.407 389 HD23 LEU 47 HD23 LEU 47 6.404 7.105 -2.829 390 H GLN 48 H GLN 48 8.348 9.355 -3.467 391 HA GLN 48 HA GLN 48 9.015 7.658 -1.167 392 HB2 GLN 48 HB2 GLN 48 10.225 10.183 -2.101 393 HB3 GLN 48 HB3 GLN 48 9.946 10.069 -0.375 394 HG2 GLN 48 HG2 GLN 48 12.182 9.360 -0.881 395 HG3 GLN 48 HG3 GLN 48 11.239 7.984 -0.316 396 HE21 GLN 48 HE21 GLN 48 11.029 9.355 -3.536 397 HE22 GLN 48 HE22 GLN 48 11.694 7.985 -4.353 398 H PHE 49 H PHE 49 8.712 9.233 0.890 399 HA PHE 49 HA PHE 49 5.945 9.334 1.326 400 HB2 PHE 49 HB2 PHE 49 6.531 10.446 3.455 401 HB3 PHE 49 HB3 PHE 49 7.534 9.041 3.134 402 HD1 PHE 49 HD1 PHE 49 9.889 9.296 2.507 403 HD2 PHE 49 HD2 PHE 49 7.488 12.646 3.567 404 HE1 PHE 49 HE1 PHE 49 11.918 10.648 2.820 405 HE2 PHE 49 HE2 PHE 49 9.515 14.005 3.880 406 HZ PHE 49 HZ PHE 49 11.734 13.007 3.506 407 H HIS 50 H HIS 50 8.204 11.695 0.241 408 HA HIS 50 HA HIS 50 6.804 14.061 0.691 409 HB2 HIS 50 HB2 HIS 50 9.184 13.881 -0.049 410 HB3 HIS 50 HB3 HIS 50 8.615 13.446 -1.655 411 HD1 HIS 50 HD1 HIS 50 8.950 16.353 0.682 412 HD2 HIS 50 HD2 HIS 50 7.638 15.577 -3.194 413 HE1 HIS 50 HE1 HIS 50 8.680 18.603 -0.412 414 HE2 HIS 50 HE2 HIS 50 7.790 18.115 -2.723 415 H GLU 51 H GLU 51 6.342 11.588 -1.718 416 HA GLU 51 HA GLU 51 4.437 13.307 -3.149 417 HB2 GLU 51 HB2 GLU 51 5.745 10.715 -3.982 418 HB3 GLU 51 HB3 GLU 51 4.562 11.592 -4.942 419 HG2 GLU 51 HG2 GLU 51 6.079 13.523 -5.008 420 HG3 GLU 51 HG3 GLU 51 7.273 12.590 -4.108 421 H LEU 52 H LEU 52 4.562 10.868 -0.856 422 HA LEU 52 HA LEU 52 2.224 9.401 -1.591 423 HB2 LEU 52 HB2 LEU 52 4.221 8.872 0.104 424 HB3 LEU 52 HB3 LEU 52 3.097 9.567 1.251 425 HG LEU 52 HG LEU 52 2.949 7.130 1.214 426 HD11 LEU 52 HD11 LEU 52 0.537 6.903 0.898 427 HD12 LEU 52 HD12 LEU 52 0.500 8.456 0.063 428 HD13 LEU 52 HD13 LEU 52 0.943 8.382 1.770 429 HD21 LEU 52 HD21 LEU 52 2.072 5.970 -0.756 430 HD22 LEU 52 HD22 LEU 52 3.630 6.729 -1.077 431 HD23 LEU 52 HD23 LEU 52 2.146 7.477 -1.670 432 H THR 53 H THR 53 0.639 10.921 -2.001 433 HA THR 53 HA THR 53 -0.487 12.285 0.327 434 HB THR 53 HB THR 53 -0.834 14.310 -1.252 435 HG1 THR 53 HG1 THR 53 1.244 12.861 -2.567 436 HG21 THR 53 HG21 THR 53 0.606 14.390 0.723 437 HG22 THR 53 HG22 THR 53 1.328 15.281 -0.616 438 HG23 THR 53 HG23 THR 53 1.929 13.678 -0.199 439 H GLU 54 H GLU 54 -2.548 13.552 -0.585 440 HA GLU 54 HA GLU 54 -4.522 11.767 -1.252 441 HB2 GLU 54 HB2 GLU 54 -5.076 13.934 -0.395 442 HB3 GLU 54 HB3 GLU 54 -4.297 14.735 -1.752 443 HG2 GLU 54 HG2 GLU 54 -6.212 13.137 -2.941 444 HG3 GLU 54 HG3 GLU 54 -7.001 13.740 -1.483 445 H ASP 55 H ASP 55 -2.724 13.918 -3.429 446 HA ASP 55 HA ASP 55 -4.101 13.229 -5.776 447 HB2 ASP 55 HB2 ASP 55 -2.682 15.242 -5.536 448 HB3 ASP 55 HB3 ASP 55 -1.252 14.213 -5.530 449 H PHE 56 H PHE 56 -1.331 11.744 -4.199 450 HA PHE 56 HA PHE 56 -0.618 10.041 -6.356 451 HB2 PHE 56 HB2 PHE 56 0.934 10.475 -4.499 452 HB3 PHE 56 HB3 PHE 56 -0.163 9.667 -3.384 453 HD1 PHE 56 HD1 PHE 56 2.159 9.188 -6.189 454 HD2 PHE 56 HD2 PHE 56 -0.274 7.275 -3.260 455 HE1 PHE 56 HE1 PHE 56 3.255 7.043 -6.681 456 HE2 PHE 56 HE2 PHE 56 0.825 5.128 -3.746 457 HZ PHE 56 HZ PHE 56 2.589 5.010 -5.458 458 H LEU 57 H LEU 57 -2.520 9.488 -3.398 459 HA LEU 57 HA LEU 57 -3.289 6.855 -3.941 460 HB2 LEU 57 HB2 LEU 57 -4.431 9.070 -2.277 461 HB3 LEU 57 HB3 LEU 57 -5.339 7.584 -2.475 462 HG LEU 57 HG LEU 57 -4.048 7.624 -0.390 463 HD11 LEU 57 HD11 LEU 57 -3.082 5.586 -2.383 464 HD12 LEU 57 HD12 LEU 57 -4.553 5.483 -1.416 465 HD13 LEU 57 HD13 LEU 57 -2.975 5.436 -0.629 466 HD21 LEU 57 HD21 LEU 57 -2.160 8.980 -1.088 467 HD22 LEU 57 HD22 LEU 57 -1.626 7.701 -2.178 468 HD23 LEU 57 HD23 LEU 57 -1.608 7.438 -0.435 469 H ARG 58 H ARG 58 -4.829 9.928 -4.741 470 HA ARG 58 HA ARG 58 -7.140 8.918 -5.963 471 HB2 ARG 58 HB2 ARG 58 -7.052 11.211 -5.327 472 HB3 ARG 58 HB3 ARG 58 -5.605 11.494 -6.278 473 HG2 ARG 58 HG2 ARG 58 -7.949 10.616 -7.818 474 HG3 ARG 58 HG3 ARG 58 -8.104 12.189 -7.029 475 HD2 ARG 58 HD2 ARG 58 -5.804 12.705 -8.026 476 HD3 ARG 58 HD3 ARG 58 -6.070 11.295 -9.051 477 HE ARG 58 HE ARG 58 -8.219 12.536 -9.705 478 HH11 ARG 58 HH11 ARG 58 -5.187 14.103 -8.856 479 HH12 ARG 58 HH12 ARG 58 -5.519 15.522 -9.792 480 HH21 ARG 58 HH21 ARG 58 -8.640 14.425 -10.944 481 HH22 ARG 58 HH22 ARG 58 -7.471 15.716 -10.959 482 H ASP 59 H ASP 59 -3.974 9.765 -7.348 483 HA ASP 59 HA ASP 59 -4.735 9.221 -10.031 484 HB2 ASP 59 HB2 ASP 59 -2.834 10.680 -9.470 485 HB3 ASP 59 HB3 ASP 59 -1.965 9.296 -8.811 486 H TYR 60 H TYR 60 -3.125 7.310 -7.535 487 HA TYR 60 HA TYR 60 -2.499 5.135 -9.258 488 HB2 TYR 60 HB2 TYR 60 -1.345 5.641 -7.071 489 HB3 TYR 60 HB3 TYR 60 -2.777 5.026 -6.250 490 HD1 TYR 60 HD2 TYR 60 -0.489 3.939 -9.005 491 HD2 TYR 60 HD1 TYR 60 -2.651 2.844 -5.510 492 HE1 TYR 60 HE2 TYR 60 0.401 1.653 -9.180 493 HE2 TYR 60 HE1 TYR 60 -1.770 0.557 -5.676 494 HH TYR 60 HH TYR 60 0.804 -0.283 -7.727 495 H LEU 61 H LEU 61 -5.237 5.969 -7.237 496 HA LEU 61 HA LEU 61 -6.671 3.573 -7.341 497 HB2 LEU 61 HB2 LEU 61 -7.395 5.426 -5.963 498 HB3 LEU 61 HB3 LEU 61 -7.627 6.439 -7.373 499 HG LEU 61 HG LEU 61 -9.459 4.937 -8.108 500 HD11 LEU 61 HD11 LEU 61 -9.077 3.657 -5.407 501 HD12 LEU 61 HD12 LEU 61 -8.724 2.907 -6.963 502 HD13 LEU 61 HD13 LEU 61 -10.385 3.325 -6.542 503 HD21 LEU 61 HD21 LEU 61 -9.939 6.977 -6.869 504 HD22 LEU 61 HD22 LEU 61 -9.766 6.105 -5.346 505 HD23 LEU 61 HD23 LEU 61 -11.082 5.701 -6.449 506 H ILE 62 H ILE 62 -6.764 6.360 -9.526 507 HA ILE 62 HA ILE 62 -8.515 5.283 -11.433 508 HB ILE 62 HB ILE 62 -6.312 7.308 -11.867 509 HG12 ILE 62 HG12 ILE 62 -9.249 7.713 -11.255 510 HG13 ILE 62 HG13 ILE 62 -7.937 7.932 -10.100 511 HG21 ILE 62 HG21 ILE 62 -7.642 8.035 -13.799 512 HG22 ILE 62 HG22 ILE 62 -8.761 6.701 -13.519 513 HG23 ILE 62 HG23 ILE 62 -7.089 6.368 -13.969 514 HD11 ILE 62 HD11 ILE 62 -8.699 10.058 -10.981 515 HD12 ILE 62 HD12 ILE 62 -8.361 9.516 -12.626 516 HD13 ILE 62 HD13 ILE 62 -7.037 9.737 -11.480 517 H TYR 63 H TYR 63 -4.962 5.358 -11.377 518 HA TYR 63 HA TYR 63 -4.458 4.061 -13.786 519 HB2 TYR 63 HB2 TYR 63 -2.765 5.198 -12.357 520 HB3 TYR 63 HB3 TYR 63 -2.852 3.855 -11.228 521 HD1 TYR 63 HD2 TYR 63 -1.877 4.801 -14.669 522 HD2 TYR 63 HD1 TYR 63 -1.600 1.869 -11.597 523 HE1 TYR 63 HE2 TYR 63 -0.103 3.655 -15.928 524 HE2 TYR 63 HE1 TYR 63 0.176 0.718 -12.848 525 HH TYR 63 HH TYR 63 1.749 2.124 -15.523 526 H MET 64 H MET 64 -5.029 2.702 -10.573 527 HA MET 64 HA MET 64 -4.558 0.004 -11.354 528 HB2 MET 64 HB2 MET 64 -4.292 0.763 -9.057 529 HB3 MET 64 HB3 MET 64 -5.998 1.149 -8.966 530 HG2 MET 64 HG2 MET 64 -6.632 -1.032 -8.783 531 HG3 MET 64 HG3 MET 64 -5.211 -1.632 -9.637 532 HE1 MET 64 HE1 MET 64 -4.666 1.082 -6.984 533 HE2 MET 64 HE2 MET 64 -4.628 0.196 -5.459 534 HE3 MET 64 HE3 MET 64 -6.149 0.387 -6.330 535 H LYS 65 H LYS 65 -7.457 1.960 -10.939 536 HA LYS 65 HA LYS 65 -9.289 -0.163 -11.394 537 HB2 LYS 65 HB2 LYS 65 -9.615 2.212 -10.324 538 HB3 LYS 65 HB3 LYS 65 -9.956 2.702 -11.976 539 HG2 LYS 65 HG2 LYS 65 -11.411 0.439 -10.639 540 HG3 LYS 65 HG3 LYS 65 -11.937 2.116 -10.503 541 HD2 LYS 65 HD2 LYS 65 -12.201 2.255 -12.911 542 HD3 LYS 65 HD3 LYS 65 -11.578 0.615 -13.094 543 HE2 LYS 65 HE2 LYS 65 -14.011 0.638 -13.243 544 HE3 LYS 65 HE3 LYS 65 -13.477 -0.251 -11.819 545 HZ1 LYS 65 HZ1 LYS 65 -14.414 2.568 -11.792 546 HZ2 LYS 65 HZ2 LYS 65 -14.019 1.624 -10.438 547 HZ3 LYS 65 HZ3 LYS 65 -15.370 1.230 -11.385 548 H LYS 66 H LYS 66 -7.827 2.282 -13.495 549 HA LYS 66 HA LYS 66 -9.379 1.354 -15.779 550 HB2 LYS 66 HB2 LYS 66 -9.125 3.747 -15.458 551 HB3 LYS 66 HB3 LYS 66 -7.376 3.594 -15.473 552 HG2 LYS 66 HG2 LYS 66 -7.490 2.839 -17.818 553 HG3 LYS 66 HG3 LYS 66 -9.238 3.093 -17.786 554 HD2 LYS 66 HD2 LYS 66 -8.899 5.456 -17.305 555 HD3 LYS 66 HD3 LYS 66 -7.152 5.212 -17.273 556 HE2 LYS 66 HE2 LYS 66 -7.189 4.559 -19.618 557 HE3 LYS 66 HE3 LYS 66 -8.942 4.756 -19.655 558 HZ1 LYS 66 HZ1 LYS 66 -7.843 6.687 -20.571 559 HZ2 LYS 66 HZ2 LYS 66 -6.954 6.908 -19.144 560 HZ3 LYS 66 HZ3 LYS 66 -8.636 7.106 -19.132 561 H THR 67 H THR 67 -5.898 1.997 -15.234 562 HA THR 67 HA THR 67 -5.153 0.667 -17.630 563 HB THR 67 HB THR 67 -3.333 1.367 -15.321 564 HG1 THR 67 HG1 THR 67 -3.583 3.141 -17.442 565 HG21 THR 67 HG21 THR 67 -2.852 1.173 -18.300 566 HG22 THR 67 HG22 THR 67 -2.325 -0.001 -17.095 567 HG23 THR 67 HG23 THR 67 -1.654 1.631 -17.090 568 H LEU 68 H LEU 68 -5.003 -0.238 -14.202 569 HA LEU 68 HA LEU 68 -3.907 -2.838 -14.853 570 HB2 LEU 68 HB2 LEU 68 -4.934 -1.791 -12.210 571 HB3 LEU 68 HB3 LEU 68 -4.040 -3.281 -12.444 572 HG LEU 68 HG LEU 68 -2.981 -0.483 -12.865 573 HD11 LEU 68 HD11 LEU 68 -3.239 -1.100 -10.520 574 HD12 LEU 68 HD12 LEU 68 -1.537 -1.003 -10.972 575 HD13 LEU 68 HD13 LEU 68 -2.315 -2.576 -10.802 576 HD21 LEU 68 HD21 LEU 68 -2.011 -2.032 -14.482 577 HD22 LEU 68 HD22 LEU 68 -1.596 -3.145 -13.179 578 HD23 LEU 68 HD23 LEU 68 -0.822 -1.563 -13.263 579 H CYS 69 H CYS 69 -6.932 -1.411 -14.787 580 HA CYS 69 HA CYS 69 -9.045 -2.163 -15.079 581 HB2 CYS 69 HB2 CYS 69 -7.629 -4.694 -15.937 582 HB3 CYS 69 HB3 CYS 69 -9.317 -4.310 -16.259 583 HG CYS 69 HG CYS 69 -7.689 -1.769 -17.378 584 H ASN 70 H ASN 70 -8.025 -2.359 -12.441 585 HA ASN 70 HA ASN 70 -9.343 -4.783 -11.428 586 HB2 ASN 70 HB2 ASN 70 -7.468 -2.798 -10.157 587 HB3 ASN 70 HB3 ASN 70 -8.448 -3.874 -9.174 588 HD21 ASN 70 HD21 ASN 70 -7.048 -4.730 -12.279 589 HD22 ASN 70 HD22 ASN 70 -5.929 -5.899 -11.657 590 H ALA 71 H ALA 71 -10.854 -4.527 -9.614 591 HA ALA 71 HA ALA 71 -12.670 -2.324 -10.096 592 HB1 ALA 71 HB1 ALA 71 -13.539 -4.597 -9.769 593 HB2 ALA 71 HB2 ALA 71 -14.161 -3.486 -8.550 594 HB3 ALA 71 HB3 ALA 71 -12.871 -4.616 -8.138 595 H ASP 72 H ASP 72 -13.546 -1.056 -8.265 596 HA ASP 72 HA ASP 72 -11.483 0.219 -6.816 597 HB2 ASP 72 HB2 ASP 72 -14.475 0.323 -6.372 598 HB3 ASP 72 HB3 ASP 72 -13.305 1.439 -5.676 599 H SER 73 H SER 73 -13.800 -2.265 -6.011 600 HA SER 73 HA SER 73 -13.395 -2.454 -3.256 601 HB2 SER 73 HB2 SER 73 -13.821 -4.877 -4.986 602 HB3 SER 73 HB3 SER 73 -14.528 -4.500 -3.415 603 HG SER 73 HG SER 73 -16.037 -3.311 -4.344 604 H THR 74 H THR 74 -11.571 -3.693 -5.980 605 HA THR 74 HA THR 74 -9.741 -5.237 -4.370 606 HB THR 74 HB THR 74 -9.268 -4.413 -7.231 607 HG1 THR 74 HG1 THR 74 -11.012 -6.478 -6.274 608 HG21 THR 74 HG21 THR 74 -8.252 -6.652 -7.363 609 HG22 THR 74 HG22 THR 74 -8.666 -6.938 -5.672 610 HG23 THR 74 HG23 THR 74 -7.505 -5.679 -6.097 611 H ALA 75 H ALA 75 -9.796 -2.151 -6.050 612 HA ALA 75 HA ALA 75 -7.102 -1.452 -5.813 613 HB1 ALA 75 HB1 ALA 75 -9.511 0.363 -5.887 614 HB2 ALA 75 HB2 ALA 75 -8.678 -0.310 -7.289 615 HB3 ALA 75 HB3 ALA 75 -7.845 0.831 -6.234 616 H GLN 76 H GLN 76 -9.832 -0.839 -3.632 617 HA GLN 76 HA GLN 76 -8.569 0.770 -1.770 618 HB2 GLN 76 HB2 GLN 76 -10.810 -1.210 -1.620 619 HB3 GLN 76 HB3 GLN 76 -10.260 -0.372 -0.185 620 HG2 GLN 76 HG2 GLN 76 -11.136 1.036 -2.685 621 HG3 GLN 76 HG3 GLN 76 -12.222 0.659 -1.349 622 HE21 GLN 76 HE21 GLN 76 -11.495 3.253 -2.394 623 HE22 GLN 76 HE22 GLN 76 -10.765 4.128 -1.092 624 H ARG 77 H ARG 77 -8.534 -2.747 -2.091 625 HA ARG 77 HA ARG 77 -7.233 -3.303 0.351 626 HB2 ARG 77 HB2 ARG 77 -7.708 -4.767 -2.179 627 HB3 ARG 77 HB3 ARG 77 -6.359 -5.326 -1.204 628 HG2 ARG 77 HG2 ARG 77 -8.306 -6.602 -0.659 629 HG3 ARG 77 HG3 ARG 77 -7.890 -5.577 0.714 630 HD2 ARG 77 HD2 ARG 77 -9.638 -4.010 0.101 631 HD3 ARG 77 HD3 ARG 77 -10.022 -4.966 -1.332 632 HE ARG 77 HE ARG 77 -10.294 -6.082 1.387 633 HH11 ARG 77 HH11 ARG 77 -11.652 -5.309 -1.750 634 HH12 ARG 77 HH12 ARG 77 -13.091 -6.248 -1.498 635 HH21 ARG 77 HH21 ARG 77 -12.194 -7.243 1.755 636 HH22 ARG 77 HH22 ARG 77 -13.423 -7.327 0.526 637 H ASN 78 H ASN 78 -5.971 -2.692 -2.913 638 HA ASN 78 HA ASN 78 -3.272 -3.148 -2.199 639 HB2 ASN 78 HB2 ASN 78 -4.229 -3.370 -4.497 640 HB3 ASN 78 HB3 ASN 78 -4.363 -1.617 -4.552 641 HD21 ASN 78 HD21 ASN 78 -2.988 -1.505 -6.291 642 HD22 ASN 78 HD22 ASN 78 -1.290 -1.707 -6.113 643 H LEU 79 H LEU 79 -5.287 -0.274 -2.486 644 HA LEU 79 HA LEU 79 -3.252 1.637 -2.103 645 HB2 LEU 79 HB2 LEU 79 -6.195 1.736 -1.446 646 HB3 LEU 79 HB3 LEU 79 -5.125 3.118 -1.302 647 HG LEU 79 HG LEU 79 -5.684 1.645 -3.878 648 HD11 LEU 79 HD11 LEU 79 -7.678 2.781 -3.105 649 HD12 LEU 79 HD12 LEU 79 -6.986 3.639 -4.481 650 HD13 LEU 79 HD13 LEU 79 -6.760 4.265 -2.849 651 HD21 LEU 79 HD21 LEU 79 -4.601 3.591 -4.915 652 HD22 LEU 79 HD22 LEU 79 -3.502 2.690 -3.871 653 HD23 LEU 79 HD23 LEU 79 -4.204 4.208 -3.310 654 H SER 80 H SER 80 -5.110 -0.309 0.127 655 HA SER 80 HA SER 80 -4.403 1.127 2.466 656 HB2 SER 80 HB2 SER 80 -5.382 -1.713 2.147 657 HB3 SER 80 HB3 SER 80 -5.275 -0.843 3.676 658 HG SER 80 HG SER 80 -6.914 -0.236 1.438 659 H THR 81 H THR 81 -2.647 -1.144 0.552 660 HA THR 81 HA THR 81 -1.123 -2.384 2.576 661 HB THR 81 HB THR 81 0.478 -2.998 0.841 662 HG1 THR 81 HG1 THR 81 -0.953 -1.649 -1.162 663 HG21 THR 81 HG21 THR 81 -2.374 -3.144 -0.143 664 HG22 THR 81 HG22 THR 81 -1.593 -4.280 0.956 665 HG23 THR 81 HG23 THR 81 -1.040 -4.148 -0.712 666 H ILE 82 H ILE 82 -0.226 0.300 0.419 667 HA ILE 82 HA ILE 82 2.122 1.030 1.800 668 HB ILE 82 HB ILE 82 0.334 2.777 0.095 669 HG12 ILE 82 HG12 ILE 82 2.723 1.091 -0.689 670 HG13 ILE 82 HG13 ILE 82 1.045 0.720 -1.067 671 HG21 ILE 82 HG21 ILE 82 1.922 4.071 1.408 672 HG22 ILE 82 HG22 ILE 82 2.351 4.103 -0.303 673 HG23 ILE 82 HG23 ILE 82 3.248 3.071 0.813 674 HD11 ILE 82 HD11 ILE 82 0.905 2.758 -2.411 675 HD12 ILE 82 HD12 ILE 82 2.166 1.668 -2.985 676 HD13 ILE 82 HD13 ILE 82 2.597 3.101 -2.051 677 H LYS 83 H LYS 83 -1.239 1.918 2.134 678 HA LYS 83 HA LYS 83 -0.991 4.126 3.836 679 HB2 LYS 83 HB2 LYS 83 -3.063 3.474 2.661 680 HB3 LYS 83 HB3 LYS 83 -3.214 2.085 3.724 681 HG2 LYS 83 HG2 LYS 83 -2.972 4.633 5.134 682 HG3 LYS 83 HG3 LYS 83 -4.402 4.501 4.107 683 HD2 LYS 83 HD2 LYS 83 -5.014 2.415 5.206 684 HD3 LYS 83 HD3 LYS 83 -3.567 2.510 6.214 685 HE2 LYS 83 HE2 LYS 83 -4.387 4.593 7.193 686 HE3 LYS 83 HE3 LYS 83 -5.825 4.508 6.174 687 HZ1 LYS 83 HZ1 LYS 83 -6.204 3.701 8.447 688 HZ2 LYS 83 HZ2 LYS 83 -5.065 2.470 8.198 689 HZ3 LYS 83 HZ3 LYS 83 -6.492 2.499 7.286 690 H ILE 84 H ILE 84 -0.940 0.667 4.553 691 HA ILE 84 HA ILE 84 -1.165 0.864 7.345 692 HB ILE 84 HB ILE 84 0.403 -1.147 5.714 693 HG12 ILE 84 HG12 ILE 84 -1.974 -1.154 5.178 694 HG13 ILE 84 HG13 ILE 84 -1.557 -2.604 6.085 695 HG21 ILE 84 HG21 ILE 84 1.205 -1.125 8.004 696 HG22 ILE 84 HG22 ILE 84 0.284 -2.596 7.694 697 HG23 ILE 84 HG23 ILE 84 -0.446 -1.275 8.607 698 HD11 ILE 84 HD11 ILE 84 -3.676 -1.662 6.812 699 HD12 ILE 84 HD12 ILE 84 -2.868 -0.147 7.220 700 HD13 ILE 84 HD13 ILE 84 -2.477 -1.621 8.105 701 H TYR 85 H TYR 85 1.699 1.044 5.240 702 HA TYR 85 HA TYR 85 3.516 1.294 7.433 703 HB2 TYR 85 HB2 TYR 85 4.293 0.403 5.300 704 HB3 TYR 85 HB3 TYR 85 3.900 1.923 4.501 705 HD1 TYR 85 HD1 TYR 85 5.931 0.685 7.388 706 HD2 TYR 85 HD2 TYR 85 5.622 3.417 4.141 707 HE1 TYR 85 HE1 TYR 85 8.182 1.531 7.891 708 HE2 TYR 85 HE2 TYR 85 7.874 4.268 4.637 709 HH TYR 85 HH TYR 85 9.439 4.383 6.450 710 H VAL 86 H VAL 86 1.999 3.565 5.183 711 HA VAL 86 HA VAL 86 3.288 5.893 6.111 712 HB VAL 86 HB VAL 86 0.559 5.574 4.846 713 HG11 VAL 86 HG11 VAL 86 0.728 7.961 4.289 714 HG12 VAL 86 HG12 VAL 86 2.215 8.071 5.232 715 HG13 VAL 86 HG13 VAL 86 0.688 7.699 6.032 716 HG21 VAL 86 HG21 VAL 86 1.701 6.291 2.796 717 HG22 VAL 86 HG22 VAL 86 2.375 4.791 3.434 718 HG23 VAL 86 HG23 VAL 86 3.235 6.314 3.665 719 H SER 87 H SER 87 0.256 4.339 7.050 720 HA SER 87 HA SER 87 -0.518 6.183 9.016 721 HB2 SER 87 HB2 SER 87 -1.205 3.390 8.273 722 HB3 SER 87 HB3 SER 87 -1.705 3.939 9.880 723 HG SER 87 HG SER 87 -2.504 5.859 8.576 724 H ALA 88 H ALA 88 1.526 3.283 9.200 725 HA ALA 88 HA ALA 88 1.931 3.401 12.007 726 HB1 ALA 88 HB1 ALA 88 2.406 1.390 10.674 727 HB2 ALA 88 HB2 ALA 88 3.798 1.892 11.631 728 HB3 ALA 88 HB3 ALA 88 3.750 2.232 9.901 729 H ALA 89 H ALA 89 3.443 4.937 9.273 730 HA ALA 89 HA ALA 89 5.685 6.030 10.610 731 HB1 ALA 89 HB1 ALA 89 5.919 7.468 8.661 732 HB2 ALA 89 HB2 ALA 89 4.306 7.004 8.117 733 HB3 ALA 89 HB3 ALA 89 5.595 5.802 8.179 734 H ILE 90 H ILE 90 2.366 6.926 10.502 735 HA ILE 90 HA ILE 90 2.750 9.646 11.232 736 HB ILE 90 HB ILE 90 0.317 7.901 11.684 737 HG12 ILE 90 HG12 ILE 90 0.883 9.802 9.403 738 HG13 ILE 90 HG13 ILE 90 1.060 8.051 9.304 739 HG21 ILE 90 HG21 ILE 90 0.268 9.910 13.052 740 HG22 ILE 90 HG22 ILE 90 -0.927 10.019 11.758 741 HG23 ILE 90 HG23 ILE 90 0.593 10.906 11.633 742 HD11 ILE 90 HD11 ILE 90 -1.320 7.792 9.774 743 HD12 ILE 90 HD12 ILE 90 -1.037 8.776 8.337 744 HD13 ILE 90 HD13 ILE 90 -1.491 9.546 9.858 745 H LYS 91 H LYS 91 2.403 6.635 12.966 746 HA LYS 91 HA LYS 91 1.942 7.874 15.517 747 HB2 LYS 91 HB2 LYS 91 2.314 5.044 14.604 748 HB3 LYS 91 HB3 LYS 91 2.407 5.432 16.314 749 HG2 LYS 91 HG2 LYS 91 0.191 4.665 15.748 750 HG3 LYS 91 HG3 LYS 91 0.141 6.363 16.216 751 HD2 LYS 91 HD2 LYS 91 0.054 7.015 13.867 752 HD3 LYS 91 HD3 LYS 91 0.145 5.321 13.386 753 HE2 LYS 91 HE2 LYS 91 -2.149 6.133 13.288 754 HE3 LYS 91 HE3 LYS 91 -1.974 4.879 14.515 755 HZ1 LYS 91 HZ1 LYS 91 -3.311 6.707 15.330 756 HZ2 LYS 91 HZ2 LYS 91 -2.055 7.807 15.021 757 HZ3 LYS 91 HZ3 LYS 91 -1.863 6.612 16.209 758 H LYS 92 H LYS 92 4.640 6.240 13.928 759 HA LYS 92 HA LYS 92 6.470 7.671 15.678 760 HB2 LYS 92 HB2 LYS 92 6.012 5.462 16.760 761 HB3 LYS 92 HB3 LYS 92 6.652 4.673 15.325 762 HG2 LYS 92 HG2 LYS 92 8.824 5.667 15.711 763 HG3 LYS 92 HG3 LYS 92 8.192 6.544 17.108 764 HD2 LYS 92 HD2 LYS 92 7.686 4.420 18.208 765 HD3 LYS 92 HD3 LYS 92 8.326 3.543 16.816 766 HE2 LYS 92 HE2 LYS 92 9.961 3.658 18.634 767 HE3 LYS 92 HE3 LYS 92 10.528 4.509 17.200 768 HZ1 LYS 92 HZ1 LYS 92 10.933 5.721 19.294 769 HZ2 LYS 92 HZ2 LYS 92 9.259 5.836 19.536 770 HZ3 LYS 92 HZ3 LYS 92 9.977 6.598 18.200 771 H GLY 93 H GLY 93 6.338 8.605 13.354 772 HA2 GLY 93 HA2 GLY 93 8.814 7.730 12.092 773 HA3 GLY 93 HA3 GLY 93 7.374 7.650 11.091 774 H TYR 94 H TYR 94 6.565 9.495 10.198 775 HA TYR 94 HA TYR 94 7.881 12.029 10.787 776 HB2 TYR 94 HB2 TYR 94 9.301 10.971 9.111 777 HB3 TYR 94 HB3 TYR 94 7.915 10.694 8.072 778 HD1 TYR 94 HD1 TYR 94 10.144 13.299 9.456 779 HD2 TYR 94 HD2 TYR 94 7.054 12.411 6.668 780 HE1 TYR 94 HE1 TYR 94 10.501 15.479 8.369 781 HE2 TYR 94 HE2 TYR 94 7.404 14.582 5.576 782 HH TYR 94 HH TYR 94 10.108 16.526 6.143 783 H MET 95 H MET 95 5.490 10.275 8.871 784 HA MET 95 HA MET 95 4.196 12.516 7.789 785 HB2 MET 95 HB2 MET 95 3.171 9.717 8.281 786 HB3 MET 95 HB3 MET 95 2.352 10.926 7.310 787 HG2 MET 95 HG2 MET 95 5.081 9.806 6.746 788 HG3 MET 95 HG3 MET 95 3.588 9.312 5.957 789 HE1 MET 95 HE1 MET 95 2.612 12.378 3.826 790 HE2 MET 95 HE2 MET 95 1.969 11.807 5.367 791 HE3 MET 95 HE3 MET 95 2.364 10.654 4.095 792 H GLU 96 H GLU 96 3.253 14.024 8.933 793 HA GLU 96 HA GLU 96 2.111 13.379 11.542 794 HB2 GLU 96 HB2 GLU 96 3.688 15.333 11.153 795 HB3 GLU 96 HB3 GLU 96 2.383 16.098 10.257 796 HG2 GLU 96 HG2 GLU 96 0.980 15.972 12.288 797 HG3 GLU 96 HG3 GLU 96 2.371 15.331 13.165 798 H ASN 97 H ASN 97 1.254 14.720 8.413 799 HA ASN 97 HA ASN 97 -1.584 14.445 9.141 800 HB2 ASN 97 HB2 ASN 97 -0.280 16.332 7.170 801 HB3 ASN 97 HB3 ASN 97 -2.021 16.097 7.298 802 HD21 ASN 97 HD21 ASN 97 -2.086 15.811 10.149 803 HD22 ASN 97 HD22 ASN 97 -1.765 17.372 10.825 804 H ASP 98 H ASP 98 -2.425 12.703 8.330 805 HA ASP 98 HA ASP 98 -1.134 11.148 6.348 806 HB2 ASP 98 HB2 ASP 98 -3.244 9.744 6.615 807 HB3 ASP 98 HB3 ASP 98 -2.264 9.974 8.056 808 HA PRO 99 HA PRO 99 -2.915 12.549 2.641 809 HB2 PRO 99 HB2 PRO 99 -3.250 9.785 1.712 810 HB3 PRO 99 HB3 PRO 99 -2.170 11.044 1.111 811 HG2 PRO 99 HG2 PRO 99 -1.253 8.906 2.462 812 HG3 PRO 99 HG3 PRO 99 -0.497 10.504 2.610 813 HD2 PRO 99 HD2 PRO 99 -2.401 9.125 4.465 814 HD3 PRO 99 HD3 PRO 99 -0.947 10.073 4.844 815 H PHE 100 H PHE 100 -4.771 10.363 4.592 816 HA PHE 100 HA PHE 100 -7.070 10.642 2.818 817 HB2 PHE 100 HB2 PHE 100 -8.205 9.014 4.286 818 HB3 PHE 100 HB3 PHE 100 -6.719 8.415 3.581 819 HD1 PHE 100 HD2 PHE 100 -4.782 7.947 4.952 820 HD2 PHE 100 HD1 PHE 100 -8.424 9.328 6.658 821 HE1 PHE 100 HE2 PHE 100 -4.015 7.214 7.170 822 HE2 PHE 100 HE1 PHE 100 -7.669 8.592 8.882 823 HZ PHE 100 HZ PHE 100 -5.461 7.533 9.140 824 H LYS 101 H LYS 101 -5.817 11.974 5.689 825 HA LYS 101 HA LYS 101 -8.199 13.168 6.643 826 HB2 LYS 101 HB2 LYS 101 -5.368 13.235 7.223 827 HB3 LYS 101 HB3 LYS 101 -6.052 14.848 7.271 828 HG2 LYS 101 HG2 LYS 101 -7.046 12.467 8.819 829 HG3 LYS 101 HG3 LYS 101 -6.084 13.796 9.469 830 HD2 LYS 101 HD2 LYS 101 -8.887 13.926 8.367 831 HD3 LYS 101 HD3 LYS 101 -8.379 14.184 10.038 832 HE2 LYS 101 HE2 LYS 101 -7.053 16.132 9.267 833 HE3 LYS 101 HE3 LYS 101 -7.711 15.900 7.654 834 HZ1 LYS 101 HZ1 LYS 101 -9.951 16.193 8.624 835 HZ2 LYS 101 HZ2 LYS 101 -8.975 17.574 8.746 836 HZ3 LYS 101 HZ3 LYS 101 -9.229 16.596 10.108 837 H ASP 102 H ASP 102 -6.132 13.792 3.982 838 HA ASP 102 HA ASP 102 -7.509 16.356 3.479 839 HB2 ASP 102 HB2 ASP 102 -4.967 16.364 3.975 840 HB3 ASP 102 HB3 ASP 102 -4.792 15.662 2.374 841 H PHE 103 H PHE 103 -8.005 13.480 2.773 842 HA PHE 103 HA PHE 103 -7.431 13.184 -0.015 843 HB2 PHE 103 HB2 PHE 103 -7.551 11.276 1.640 844 HB3 PHE 103 HB3 PHE 103 -9.295 11.501 1.673 845 HD1 PHE 103 HD2 PHE 103 -6.442 10.354 -0.301 846 HD2 PHE 103 HD1 PHE 103 -10.670 10.840 -0.209 847 HE1 PHE 103 HE2 PHE 103 -6.653 8.876 -2.256 848 HE2 PHE 103 HE1 PHE 103 -10.886 9.358 -2.160 849 HZ PHE 103 HZ PHE 103 -8.876 8.375 -3.188 850 H GLY 104 H GLY 104 -8.450 15.014 -0.869 851 HA2 GLY 104 HA2 GLY 104 -10.164 15.516 -2.419 852 HA3 GLY 104 HA3 GLY 104 -11.231 14.411 -1.565 853 H LEU 105 H LEU 105 -9.351 16.817 0.097 854 HA LEU 105 HA LEU 105 -11.817 18.333 0.603 855 HB2 LEU 105 HB2 LEU 105 -9.425 17.898 2.393 856 HB3 LEU 105 HB3 LEU 105 -10.700 19.051 2.730 857 HG LEU 105 HG LEU 105 -11.038 16.055 2.546 858 HD11 LEU 105 HD11 LEU 105 -11.488 16.217 4.950 859 HD12 LEU 105 HD12 LEU 105 -11.103 17.937 4.901 860 HD13 LEU 105 HD13 LEU 105 -9.854 16.743 4.551 861 HD21 LEU 105 HD21 LEU 105 -13.026 17.256 1.770 862 HD22 LEU 105 HD22 LEU 105 -13.035 18.207 3.256 863 HD23 LEU 105 HD23 LEU 105 -13.319 16.467 3.319 864 H GLU 106 H GLU 106 -11.791 20.479 0.274 865 HA GLU 106 HA GLU 106 -9.829 21.698 -1.312 866 HB2 GLU 106 HB2 GLU 106 -11.842 22.979 0.545 867 HB3 GLU 106 HB3 GLU 106 -10.907 23.843 -0.664 868 HG2 GLU 106 HG2 GLU 106 -11.987 22.513 -2.422 869 HG3 GLU 106 HG3 GLU 106 -12.955 21.701 -1.189 870 H HIS 107 H HIS 107 -10.627 22.575 2.020 871 HA HIS 107 HA HIS 107 -9.427 23.442 3.723 872 HB2 HIS 107 HB2 HIS 107 -8.580 21.123 3.750 873 HB3 HIS 107 HB3 HIS 107 -7.279 21.591 2.662 874 HD1 HIS 107 HD1 HIS 107 -8.489 22.146 6.195 875 HD2 HIS 107 HD2 HIS 107 -5.071 22.673 3.887 876 HE1 HIS 107 HE1 HIS 107 -6.671 22.799 7.809 877 HE2 HIS 107 HE2 HIS 107 -4.666 23.304 6.359 878 H HIS 108 H HIS 108 -6.448 23.009 1.965 879 HA HIS 108 HA HIS 108 -6.187 25.321 0.532 880 HB2 HIS 108 HB2 HIS 108 -6.566 26.459 2.783 881 HB3 HIS 108 HB3 HIS 108 -5.015 25.792 3.285 882 HD1 HIS 108 HD1 HIS 108 -6.503 28.236 0.821 883 HD2 HIS 108 HD2 HIS 108 -2.808 27.189 2.420 884 HE1 HIS 108 HE1 HIS 108 -4.891 30.004 0.027 885 HE2 HIS 108 HE2 HIS 108 -2.641 29.299 0.933 886 H HIS 109 H HIS 109 -5.076 23.681 -0.601 887 HA HIS 109 HA HIS 109 -2.809 22.324 0.449 888 HB2 HIS 109 HB2 HIS 109 -4.321 21.901 -1.700 889 HB3 HIS 109 HB3 HIS 109 -3.070 22.860 -2.484 890 HD1 HIS 109 HD1 HIS 109 -3.886 19.472 -1.534 891 HD2 HIS 109 HD2 HIS 109 -0.382 21.658 -2.081 892 HE1 HIS 109 HE1 HIS 109 -2.057 17.770 -1.802 893 HE2 HIS 109 HE2 HIS 109 0.032 19.107 -2.256 894 H HIS 110 H HIS 110 -1.078 23.443 1.165 895 HA HIS 110 HA HIS 110 -0.330 25.870 -0.337 896 HB2 HIS 110 HB2 HIS 110 0.167 27.024 1.725 897 HB3 HIS 110 HB3 HIS 110 -1.478 26.410 1.800 898 HD1 HIS 110 HD1 HIS 110 1.414 26.713 3.835 899 HD2 HIS 110 HD2 HIS 110 -1.445 23.741 3.274 900 HE1 HIS 110 HE1 HIS 110 1.529 25.265 5.882 901 HE2 HIS 110 HE2 HIS 110 -0.323 23.580 5.600 902 H HIS 111 H HIS 111 1.828 26.576 -0.169 903 HA HIS 111 HA HIS 111 3.773 24.524 -0.370 904 HB2 HIS 111 HB2 HIS 111 5.385 26.312 -0.675 905 HB3 HIS 111 HB3 HIS 111 3.915 26.727 -1.549 906 HD1 HIS 111 HD1 HIS 111 2.382 28.607 -0.406 907 HD2 HIS 111 HD2 HIS 111 6.186 28.129 1.209 908 HE1 HIS 111 HE1 HIS 111 2.809 30.677 0.956 909 HE2 HIS 111 HE2 HIS 111 5.173 30.439 1.790 910 H HIS 112 H HIS 112 5.716 24.331 0.951 911 HA HIS 112 HA HIS 112 5.054 24.522 3.785 912 HB2 HIS 112 HB2 HIS 112 7.239 23.040 2.317 913 HB3 HIS 112 HB3 HIS 112 7.082 23.066 4.071 914 HD1 HIS 112 HD1 HIS 112 5.454 21.707 0.979 915 HD2 HIS 112 HD2 HIS 112 5.044 21.473 5.112 916 HE1 HIS 112 HE1 HIS 112 3.825 19.834 1.397 917 HE2 HIS 112 HE2 HIS 112 3.589 19.710 3.903 Start of MODEL 12 1 H1 MET 1 H1 MET 1 13.895 1.140 14.700 2 H2 MET 1 H2 MET 1 14.356 1.559 16.273 3 H3 MET 1 H3 MET 1 15.520 1.039 15.158 4 HA MET 1 HA MET 1 13.919 3.516 14.925 5 HB2 MET 1 HB2 MET 1 15.562 3.674 16.733 6 HB3 MET 1 HB3 MET 1 16.829 3.108 15.654 7 HG2 MET 1 HG2 MET 1 16.430 5.125 14.242 8 HG3 MET 1 HG3 MET 1 15.318 5.704 15.480 9 HE1 MET 1 HE1 MET 1 18.456 8.027 15.908 10 HE2 MET 1 HE2 MET 1 16.718 7.971 15.614 11 HE3 MET 1 HE3 MET 1 17.838 7.363 14.395 12 H ASN 2 H ASN 2 16.954 1.980 13.820 13 HA ASN 2 HA ASN 2 16.623 3.403 11.288 14 HB2 ASN 2 HB2 ASN 2 19.020 2.021 12.501 15 HB3 ASN 2 HB3 ASN 2 19.005 2.705 10.880 16 HD21 ASN 2 HD21 ASN 2 20.672 3.421 13.120 17 HD22 ASN 2 HD22 ASN 2 20.374 5.095 13.435 18 H ASN 3 H ASN 3 15.183 2.204 10.175 19 HA ASN 3 HA ASN 3 15.651 -0.583 9.628 20 HB2 ASN 3 HB2 ASN 3 13.872 -0.135 7.820 21 HB3 ASN 3 HB3 ASN 3 13.375 0.026 9.500 22 HD21 ASN 3 HD21 ASN 3 14.049 1.709 6.537 23 HD22 ASN 3 HD22 ASN 3 13.376 3.223 7.011 24 HA PRO 4 HA PRO 4 18.735 -0.613 6.586 25 HB2 PRO 4 HB2 PRO 4 16.711 -1.831 4.750 26 HB3 PRO 4 HB3 PRO 4 18.367 -2.340 5.094 27 HG2 PRO 4 HG2 PRO 4 16.313 -3.597 6.214 28 HG3 PRO 4 HG3 PRO 4 17.801 -3.288 7.130 29 HD2 PRO 4 HD2 PRO 4 15.139 -1.981 7.339 30 HD3 PRO 4 HD3 PRO 4 16.378 -2.235 8.585 31 H SER 5 H SER 5 15.579 0.315 5.234 32 HA SER 5 HA SER 5 14.937 1.912 3.744 33 HB2 SER 5 HB2 SER 5 17.530 3.257 4.552 34 HB3 SER 5 HB3 SER 5 16.142 4.041 3.796 35 HG SER 5 HG SER 5 16.447 3.056 6.412 36 H ASP 6 H ASP 6 16.722 -0.317 2.963 37 HA ASP 6 HA ASP 6 18.076 0.808 0.613 38 HB2 ASP 6 HB2 ASP 6 19.218 -0.679 2.433 39 HB3 ASP 6 HB3 ASP 6 18.410 -2.005 1.610 40 H PHE 7 H PHE 7 15.204 0.017 1.211 41 HA PHE 7 HA PHE 7 14.537 -2.255 -0.295 42 HB2 PHE 7 HB2 PHE 7 12.751 0.094 0.344 43 HB3 PHE 7 HB3 PHE 7 12.270 -1.559 0.017 44 HD1 PHE 7 HD1 PHE 7 13.032 -3.363 1.645 45 HD2 PHE 7 HD2 PHE 7 13.144 0.795 2.528 46 HE1 PHE 7 HE1 PHE 7 13.129 -3.881 4.046 47 HE2 PHE 7 HE2 PHE 7 13.243 0.288 4.935 48 HZ PHE 7 HZ PHE 7 13.239 -2.054 5.695 49 H LYS 8 H LYS 8 14.056 -2.503 -2.340 50 HA LYS 8 HA LYS 8 15.171 -0.777 -4.243 51 HB2 LYS 8 HB2 LYS 8 13.105 -2.889 -4.837 52 HB3 LYS 8 HB3 LYS 8 14.432 -2.349 -5.859 53 HG2 LYS 8 HG2 LYS 8 16.044 -3.353 -4.380 54 HG3 LYS 8 HG3 LYS 8 14.774 -3.785 -3.234 55 HD2 LYS 8 HD2 LYS 8 13.752 -5.117 -5.177 56 HD3 LYS 8 HD3 LYS 8 15.327 -4.929 -5.951 57 HE2 LYS 8 HE2 LYS 8 15.355 -7.017 -4.802 58 HE3 LYS 8 HE3 LYS 8 16.358 -5.898 -3.880 59 HZ1 LYS 8 HZ1 LYS 8 13.575 -6.726 -3.254 60 HZ2 LYS 8 HZ2 LYS 8 14.405 -5.512 -2.420 61 HZ3 LYS 8 HZ3 LYS 8 14.975 -7.113 -2.376 62 H SER 9 H SER 9 11.867 -1.113 -3.106 63 HA SER 9 HA SER 9 11.042 1.373 -4.226 64 HB2 SER 9 HB2 SER 9 9.921 -1.152 -5.485 65 HB3 SER 9 HB3 SER 9 9.251 0.461 -5.709 66 HG SER 9 HG SER 9 11.889 0.488 -6.229 67 H PHE 10 H PHE 10 8.397 1.310 -4.098 68 HA PHE 10 HA PHE 10 7.716 1.168 -1.435 69 HB2 PHE 10 HB2 PHE 10 5.336 1.165 -2.220 70 HB3 PHE 10 HB3 PHE 10 6.337 2.415 -2.936 71 HD1 PHE 10 HD1 PHE 10 7.112 2.171 -5.293 72 HD2 PHE 10 HD2 PHE 10 4.270 -0.479 -3.548 73 HE1 PHE 10 HE1 PHE 10 6.419 1.442 -7.539 74 HE2 PHE 10 HE2 PHE 10 3.576 -1.215 -5.790 75 HZ PHE 10 HZ PHE 10 4.651 -0.256 -7.788 76 H HIS 11 H HIS 11 7.381 -1.342 -3.903 77 HA HIS 11 HA HIS 11 5.838 -3.136 -2.382 78 HB2 HIS 11 HB2 HIS 11 6.218 -4.739 -4.047 79 HB3 HIS 11 HB3 HIS 11 6.381 -3.222 -4.919 80 HD1 HIS 11 HD1 HIS 11 8.507 -5.985 -3.434 81 HD2 HIS 11 HD2 HIS 11 8.814 -2.893 -6.199 82 HE1 HIS 11 HE1 HIS 11 10.718 -6.318 -4.575 83 HE2 HIS 11 HE2 HIS 11 10.830 -4.525 -6.336 84 H ASP 12 H ASP 12 9.184 -2.357 -2.293 85 HA ASP 12 HA ASP 12 10.036 -4.836 -1.097 86 HB2 ASP 12 HB2 ASP 12 11.273 -2.745 -2.464 87 HB3 ASP 12 HB3 ASP 12 11.879 -2.612 -0.817 88 H PHE 13 H PHE 13 9.437 -1.511 -0.093 89 HA PHE 13 HA PHE 13 10.113 -1.843 2.627 90 HB2 PHE 13 HB2 PHE 13 9.761 0.354 1.391 91 HB3 PHE 13 HB3 PHE 13 8.032 0.060 1.526 92 HD1 PHE 13 HD2 PHE 13 7.009 -0.088 3.832 93 HD2 PHE 13 HD1 PHE 13 10.974 1.289 3.152 94 HE1 PHE 13 HE2 PHE 13 7.015 0.975 6.049 95 HE2 PHE 13 HE1 PHE 13 10.987 2.357 5.368 96 HZ PHE 13 HZ PHE 13 9.007 2.200 6.822 97 H VAL 14 H VAL 14 7.104 -2.188 0.808 98 HA VAL 14 HA VAL 14 5.336 -2.718 2.887 99 HB VAL 14 HB VAL 14 5.339 -3.809 0.066 100 HG11 VAL 14 HG11 VAL 14 4.020 -5.260 1.532 101 HG12 VAL 14 HG12 VAL 14 2.988 -4.368 0.416 102 HG13 VAL 14 HG13 VAL 14 3.109 -3.862 2.101 103 HG21 VAL 14 HG21 VAL 14 3.824 -1.534 1.344 104 HG22 VAL 14 HG22 VAL 14 3.612 -2.107 -0.311 105 HG23 VAL 14 HG23 VAL 14 5.146 -1.393 0.186 106 H ALA 15 H ALA 15 7.271 -5.016 0.976 107 HA ALA 15 HA ALA 15 6.321 -7.351 2.182 108 HB1 ALA 15 HB1 ALA 15 9.048 -6.898 0.977 109 HB2 ALA 15 HB2 ALA 15 7.587 -7.292 0.072 110 HB3 ALA 15 HB3 ALA 15 8.253 -8.453 1.221 111 H SER 16 H SER 16 8.862 -5.141 3.162 112 HA SER 16 HA SER 16 10.048 -6.822 5.105 113 HB2 SER 16 HB2 SER 16 11.129 -4.813 4.070 114 HB3 SER 16 HB3 SER 16 10.042 -3.798 5.018 115 HG SER 16 HG SER 16 10.966 -4.659 6.902 116 H TYR 17 H TYR 17 7.592 -4.252 5.324 117 HA TYR 17 HA TYR 17 7.300 -4.609 8.168 118 HB2 TYR 17 HB2 TYR 17 6.926 -2.423 7.005 119 HB3 TYR 17 HB3 TYR 17 5.475 -3.107 6.280 120 HD1 TYR 17 HD1 TYR 17 7.030 -2.647 9.646 121 HD2 TYR 17 HD2 TYR 17 3.447 -2.722 7.353 122 HE1 TYR 17 HE1 TYR 17 5.748 -1.986 11.637 123 HE2 TYR 17 HE2 TYR 17 2.155 -2.059 9.339 124 HH TYR 17 HH TYR 17 3.641 -0.929 12.214 125 H MET 18 H MET 18 5.764 -5.789 5.282 126 HA MET 18 HA MET 18 3.347 -6.715 6.355 127 HB2 MET 18 HB2 MET 18 3.990 -6.529 3.910 128 HB3 MET 18 HB3 MET 18 4.873 -8.034 4.112 129 HG2 MET 18 HG2 MET 18 2.681 -8.406 3.133 130 HG3 MET 18 HG3 MET 18 2.828 -9.186 4.707 131 HE1 MET 18 HE1 MET 18 1.480 -5.949 2.866 132 HE2 MET 18 HE2 MET 18 2.377 -5.327 4.251 133 HE3 MET 18 HE3 MET 18 0.621 -5.163 4.190 134 H LYS 19 H LYS 19 6.571 -8.067 6.424 135 HA LYS 19 HA LYS 19 5.977 -10.667 7.238 136 HB2 LYS 19 HB2 LYS 19 8.309 -8.890 7.965 137 HB3 LYS 19 HB3 LYS 19 8.217 -10.595 8.388 138 HG2 LYS 19 HG2 LYS 19 8.338 -9.399 5.628 139 HG3 LYS 19 HG3 LYS 19 9.565 -10.379 6.433 140 HD2 LYS 19 HD2 LYS 19 7.855 -12.235 6.513 141 HD3 LYS 19 HD3 LYS 19 6.853 -11.248 5.448 142 HE2 LYS 19 HE2 LYS 19 8.048 -12.763 4.063 143 HE3 LYS 19 HE3 LYS 19 8.785 -11.177 3.850 144 HZ1 LYS 19 HZ1 LYS 19 10.414 -12.996 4.095 145 HZ2 LYS 19 HZ2 LYS 19 9.835 -13.284 5.662 146 HZ3 LYS 19 HZ3 LYS 19 10.581 -11.805 5.292 147 H THR 20 H THR 20 6.100 -7.666 9.062 148 HA THR 20 HA THR 20 5.759 -8.908 11.621 149 HB THR 20 HB THR 20 5.161 -6.024 10.952 150 HG1 THR 20 HG1 THR 20 7.411 -5.643 11.326 151 HG21 THR 20 HG21 THR 20 5.929 -5.644 13.252 152 HG22 THR 20 HG22 THR 20 6.223 -7.372 13.440 153 HG23 THR 20 HG23 THR 20 4.578 -6.777 13.211 154 H TYR 21 H TYR 21 3.687 -7.780 9.090 155 HA TYR 21 HA TYR 21 1.319 -7.641 10.765 156 HB2 TYR 21 HB2 TYR 21 1.689 -5.988 8.976 157 HB3 TYR 21 HB3 TYR 21 1.681 -7.276 7.780 158 HD1 TYR 21 HD1 TYR 21 -0.507 -5.916 10.498 159 HD2 TYR 21 HD2 TYR 21 -0.267 -7.632 6.613 160 HE1 TYR 21 HE1 TYR 21 -2.934 -5.642 10.232 161 HE2 TYR 21 HE2 TYR 21 -2.692 -7.366 6.336 162 HH TYR 21 HH TYR 21 -4.688 -7.121 7.686 163 H SER 22 H SER 22 3.003 -10.033 9.121 164 HA SER 22 HA SER 22 0.892 -11.541 7.988 165 HB2 SER 22 HB2 SER 22 2.537 -13.318 7.743 166 HB3 SER 22 HB3 SER 22 3.263 -11.772 7.313 167 HG SER 22 HG SER 22 4.401 -11.762 9.194 168 H ARG 23 H ARG 23 1.657 -11.009 11.200 169 HA ARG 23 HA ARG 23 1.421 -13.501 12.410 170 HB2 ARG 23 HB2 ARG 23 0.671 -10.763 13.434 171 HB3 ARG 23 HB3 ARG 23 0.736 -12.204 14.440 172 HG2 ARG 23 HG2 ARG 23 3.108 -12.456 13.957 173 HG3 ARG 23 HG3 ARG 23 3.054 -11.041 12.905 174 HD2 ARG 23 HD2 ARG 23 3.964 -10.498 15.110 175 HD3 ARG 23 HD3 ARG 23 2.460 -9.634 14.797 176 HE ARG 23 HE ARG 23 1.349 -11.274 16.255 177 HH11 ARG 23 HH11 ARG 23 4.847 -11.027 16.464 178 HH12 ARG 23 HH12 ARG 23 4.899 -11.562 18.115 179 HH21 ARG 23 HH21 ARG 23 1.450 -11.990 18.420 180 HH22 ARG 23 HH22 ARG 23 2.990 -12.119 19.217 181 H ARG 24 H ARG 24 -1.072 -11.421 11.112 182 HA ARG 24 HA ARG 24 -3.032 -13.469 11.902 183 HB2 ARG 24 HB2 ARG 24 -3.417 -10.494 11.592 184 HB3 ARG 24 HB3 ARG 24 -4.757 -11.632 11.669 185 HG2 ARG 24 HG2 ARG 24 -3.742 -12.423 13.863 186 HG3 ARG 24 HG3 ARG 24 -2.751 -10.967 13.794 187 HD2 ARG 24 HD2 ARG 24 -5.752 -10.940 13.614 188 HD3 ARG 24 HD3 ARG 24 -4.874 -10.803 15.133 189 HE ARG 24 HE ARG 24 -4.142 -8.872 13.101 190 HH11 ARG 24 HH11 ARG 24 -6.191 -9.610 15.837 191 HH12 ARG 24 HH12 ARG 24 -6.457 -7.944 16.264 192 HH21 ARG 24 HH21 ARG 24 -4.494 -6.654 13.651 193 HH22 ARG 24 HH22 ARG 24 -5.494 -6.272 15.017 194 H LEU 25 H LEU 25 -1.309 -13.391 9.558 195 HA LEU 25 HA LEU 25 -3.417 -13.393 7.503 196 HB2 LEU 25 HB2 LEU 25 -0.942 -11.878 7.538 197 HB3 LEU 25 HB3 LEU 25 -1.020 -12.938 6.148 198 HG LEU 25 HG LEU 25 -3.201 -11.920 5.535 199 HD11 LEU 25 HD11 LEU 25 -3.891 -9.846 6.593 200 HD12 LEU 25 HD12 LEU 25 -2.574 -9.986 7.757 201 HD13 LEU 25 HD13 LEU 25 -3.880 -11.170 7.758 202 HD21 LEU 25 HD21 LEU 25 -1.115 -11.144 4.529 203 HD22 LEU 25 HD22 LEU 25 -0.910 -9.984 5.841 204 HD23 LEU 25 HD23 LEU 25 -2.263 -9.819 4.721 205 H GLU 26 H GLU 26 -3.665 -15.351 6.642 206 HA GLU 26 HA GLU 26 -1.700 -17.418 6.921 207 HB2 GLU 26 HB2 GLU 26 -4.363 -17.219 5.535 208 HB3 GLU 26 HB3 GLU 26 -3.331 -18.622 5.333 209 HG2 GLU 26 HG2 GLU 26 -4.402 -17.602 7.945 210 HG3 GLU 26 HG3 GLU 26 -5.030 -18.980 7.043 211 H ILE 27 H ILE 27 -0.859 -18.601 5.020 212 HA ILE 27 HA ILE 27 0.726 -16.933 3.465 213 HB ILE 27 HB ILE 27 -0.029 -19.805 2.918 214 HG12 ILE 27 HG12 ILE 27 0.982 -19.504 5.117 215 HG13 ILE 27 HG13 ILE 27 2.110 -20.319 4.040 216 HG21 ILE 27 HG21 ILE 27 0.897 -18.757 0.927 217 HG22 ILE 27 HG22 ILE 27 2.040 -19.914 1.609 218 HG23 ILE 27 HG23 ILE 27 2.283 -18.185 1.855 219 HD11 ILE 27 HD11 ILE 27 2.169 -17.412 4.815 220 HD12 ILE 27 HD12 ILE 27 3.279 -18.191 3.687 221 HD13 ILE 27 HD13 ILE 27 3.260 -18.677 5.384 222 H GLY 28 H GLY 28 -2.318 -18.540 2.637 223 HA2 GLY 28 HA2 GLY 28 -2.420 -18.004 -0.083 224 HA3 GLY 28 HA3 GLY 28 -3.827 -18.143 0.959 225 H THR 29 H THR 29 -3.814 -15.985 2.519 226 HA THR 29 HA THR 29 -4.488 -13.913 0.653 227 HB THR 29 HB THR 29 -5.903 -14.269 2.613 228 HG1 THR 29 HG1 THR 29 -6.245 -12.151 2.950 229 HG21 THR 29 HG21 THR 29 -4.193 -14.969 4.218 230 HG22 THR 29 HG22 THR 29 -5.155 -13.634 4.854 231 HG23 THR 29 HG23 THR 29 -3.532 -13.333 4.233 232 H PHE 30 H PHE 30 -1.825 -14.592 2.803 233 HA PHE 30 HA PHE 30 -0.656 -12.060 2.971 234 HB2 PHE 30 HB2 PHE 30 0.085 -13.935 4.343 235 HB3 PHE 30 HB3 PHE 30 0.643 -14.796 2.915 236 HD1 PHE 30 HD2 PHE 30 1.246 -11.817 5.023 237 HD2 PHE 30 HD1 PHE 30 2.794 -14.434 2.045 238 HE1 PHE 30 HE2 PHE 30 3.470 -10.801 5.290 239 HE2 PHE 30 HE1 PHE 30 5.023 -13.423 2.308 240 HZ PHE 30 HZ PHE 30 5.362 -11.604 3.932 241 H ARG 31 H ARG 31 0.045 -14.695 0.654 242 HA ARG 31 HA ARG 31 1.737 -12.981 -0.913 243 HB2 ARG 31 HB2 ARG 31 2.084 -14.837 -2.353 244 HB3 ARG 31 HB3 ARG 31 2.042 -15.468 -0.714 245 HG2 ARG 31 HG2 ARG 31 -0.224 -16.250 -1.037 246 HG3 ARG 31 HG3 ARG 31 -0.250 -15.552 -2.660 247 HD2 ARG 31 HD2 ARG 31 1.689 -17.005 -3.235 248 HD3 ARG 31 HD3 ARG 31 1.516 -17.778 -1.663 249 HE ARG 31 HE ARG 31 -0.871 -17.779 -3.307 250 HH11 ARG 31 HH11 ARG 31 2.075 -19.451 -2.442 251 HH12 ARG 31 HH12 ARG 31 1.482 -21.024 -2.885 252 HH21 ARG 31 HH21 ARG 31 -1.660 -19.835 -3.933 253 HH22 ARG 31 HH22 ARG 31 -0.654 -21.236 -3.753 254 H HIS 32 H HIS 32 -1.607 -13.626 -0.780 255 HA HIS 32 HA HIS 32 -2.411 -13.333 -3.429 256 HB2 HIS 32 HB2 HIS 32 -3.815 -13.994 -1.398 257 HB3 HIS 32 HB3 HIS 32 -3.970 -12.272 -1.073 258 HD1 HIS 32 HD1 HIS 32 -5.430 -14.999 -3.002 259 HD2 HIS 32 HD2 HIS 32 -5.365 -10.843 -3.199 260 HE1 HIS 32 HE1 HIS 32 -7.304 -14.362 -4.554 261 HE2 HIS 32 HE2 HIS 32 -7.402 -11.848 -4.444 262 H HIS 33 H HIS 33 -1.565 -10.906 -1.033 263 HA HIS 33 HA HIS 33 -1.862 -8.879 -3.151 264 HB2 HIS 33 HB2 HIS 33 -2.354 -7.204 -1.515 265 HB3 HIS 33 HB3 HIS 33 -3.410 -8.570 -1.197 266 HD1 HIS 33 HD1 HIS 33 -1.904 -6.162 0.673 267 HD2 HIS 33 HD2 HIS 33 -1.671 -10.317 0.854 268 HE1 HIS 33 HE1 HIS 33 -1.194 -6.705 3.026 269 HE2 HIS 33 HE2 HIS 33 -1.044 -9.216 3.110 270 H LYS 34 H LYS 34 0.353 -10.706 -2.344 271 HA LYS 34 HA LYS 34 2.434 -8.829 -1.505 272 HB2 LYS 34 HB2 LYS 34 2.413 -10.997 -0.418 273 HB3 LYS 34 HB3 LYS 34 2.422 -11.816 -1.968 274 HG2 LYS 34 HG2 LYS 34 4.691 -10.768 -2.366 275 HG3 LYS 34 HG3 LYS 34 4.659 -10.296 -0.664 276 HD2 LYS 34 HD2 LYS 34 4.377 -12.638 -0.015 277 HD3 LYS 34 HD3 LYS 34 4.392 -13.117 -1.712 278 HE2 LYS 34 HE2 LYS 34 6.688 -12.092 -1.861 279 HE3 LYS 34 HE3 LYS 34 6.646 -11.933 -0.104 280 HZ1 LYS 34 HZ1 LYS 34 6.479 -14.461 -1.660 281 HZ2 LYS 34 HZ2 LYS 34 6.287 -14.362 0.021 282 HZ3 LYS 34 HZ3 LYS 34 7.775 -13.954 -0.688 283 H SER 35 H SER 35 1.537 -10.946 -4.181 284 HA SER 35 HA SER 35 3.851 -10.346 -5.743 285 HB2 SER 35 HB2 SER 35 2.430 -11.575 -7.527 286 HB3 SER 35 HB3 SER 35 2.957 -12.480 -6.106 287 HG SER 35 HG SER 35 0.457 -11.983 -6.954 288 H CYS 36 H CYS 36 0.696 -8.955 -5.421 289 HA CYS 36 HA CYS 36 0.198 -7.957 -7.943 290 HB2 CYS 36 HB2 CYS 36 -0.460 -6.588 -5.333 291 HB3 CYS 36 HB3 CYS 36 -1.275 -6.349 -6.876 292 HG CYS 36 HG CYS 36 -2.666 -8.610 -6.914 293 H MET 37 H MET 37 1.417 -5.872 -5.312 294 HA MET 37 HA MET 37 2.201 -3.824 -7.087 295 HB2 MET 37 HB2 MET 37 2.847 -4.333 -4.188 296 HB3 MET 37 HB3 MET 37 3.463 -2.934 -5.056 297 HG2 MET 37 HG2 MET 37 1.546 -2.228 -3.873 298 HG3 MET 37 HG3 MET 37 1.096 -2.318 -5.573 299 HE1 MET 37 HE1 MET 37 -0.116 -5.426 -2.388 300 HE2 MET 37 HE2 MET 37 0.773 -3.946 -2.029 301 HE3 MET 37 HE3 MET 37 1.538 -5.227 -2.968 302 H ARG 38 H ARG 38 3.820 -6.651 -5.938 303 HA ARG 38 HA ARG 38 6.487 -5.817 -6.442 304 HB2 ARG 38 HB2 ARG 38 5.714 -7.828 -5.087 305 HB3 ARG 38 HB3 ARG 38 5.452 -8.642 -6.620 306 HG2 ARG 38 HG2 ARG 38 7.774 -8.436 -7.188 307 HG3 ARG 38 HG3 ARG 38 8.081 -7.482 -5.740 308 HD2 ARG 38 HD2 ARG 38 7.500 -9.401 -4.345 309 HD3 ARG 38 HD3 ARG 38 7.161 -10.355 -5.791 310 HE ARG 38 HE ARG 38 9.585 -9.928 -6.363 311 HH11 ARG 38 HH11 ARG 38 8.447 -10.076 -3.049 312 HH12 ARG 38 HH12 ARG 38 9.991 -10.521 -2.394 313 HH21 ARG 38 HH21 ARG 38 11.608 -10.506 -5.521 314 HH22 ARG 38 HH22 ARG 38 11.809 -10.747 -3.812 315 H LYS 39 H LYS 39 4.190 -7.759 -8.290 316 HA LYS 39 HA LYS 39 5.780 -8.030 -10.605 317 HB2 LYS 39 HB2 LYS 39 4.066 -9.612 -10.235 318 HB3 LYS 39 HB3 LYS 39 2.855 -8.372 -9.979 319 HG2 LYS 39 HG2 LYS 39 4.132 -8.646 -12.659 320 HG3 LYS 39 HG3 LYS 39 2.873 -9.778 -12.163 321 HD2 LYS 39 HD2 LYS 39 2.626 -6.771 -12.263 322 HD3 LYS 39 HD3 LYS 39 1.929 -7.910 -13.409 323 HE2 LYS 39 HE2 LYS 39 1.270 -7.809 -10.471 324 HE3 LYS 39 HE3 LYS 39 0.303 -7.061 -11.739 325 HZ1 LYS 39 HZ1 LYS 39 -0.060 -9.248 -12.704 326 HZ2 LYS 39 HZ2 LYS 39 -0.599 -9.198 -11.100 327 HZ3 LYS 39 HZ3 LYS 39 0.864 -9.970 -11.476 328 H PHE 40 H PHE 40 3.701 -5.520 -9.447 329 HA PHE 40 HA PHE 40 3.208 -4.327 -12.006 330 HB2 PHE 40 HB2 PHE 40 1.697 -4.198 -9.989 331 HB3 PHE 40 HB3 PHE 40 2.831 -3.048 -9.301 332 HD1 PHE 40 HD2 PHE 40 1.362 -3.504 -12.701 333 HD2 PHE 40 HD1 PHE 40 1.999 -0.920 -9.377 334 HE1 PHE 40 HE2 PHE 40 0.262 -1.674 -13.919 335 HE2 PHE 40 HE1 PHE 40 0.902 0.915 -10.593 336 HZ PHE 40 HZ PHE 40 0.031 0.537 -12.866 337 H LYS 41 H LYS 41 5.922 -4.428 -10.166 338 HA LYS 41 HA LYS 41 6.817 -1.732 -10.495 339 HB2 LYS 41 HB2 LYS 41 7.758 -3.124 -8.707 340 HB3 LYS 41 HB3 LYS 41 8.444 -4.214 -9.907 341 HG2 LYS 41 HG2 LYS 41 9.838 -2.394 -10.763 342 HG3 LYS 41 HG3 LYS 41 9.158 -1.309 -9.552 343 HD2 LYS 41 HD2 LYS 41 10.115 -2.621 -7.772 344 HD3 LYS 41 HD3 LYS 41 10.674 -3.839 -8.922 345 HE2 LYS 41 HE2 LYS 41 11.559 -0.958 -8.956 346 HE3 LYS 41 HE3 LYS 41 12.441 -2.245 -8.138 347 HZ1 LYS 41 HZ1 LYS 41 12.862 -3.319 -10.190 348 HZ2 LYS 41 HZ2 LYS 41 13.237 -1.685 -10.427 349 HZ3 LYS 41 HZ3 LYS 41 11.790 -2.316 -11.038 350 H GLU 42 H GLU 42 6.171 -1.641 -12.740 351 HA GLU 42 HA GLU 42 7.603 -2.863 -14.821 352 HB2 GLU 42 HB2 GLU 42 6.312 -0.132 -14.678 353 HB3 GLU 42 HB3 GLU 42 6.872 -0.893 -16.162 354 HG2 GLU 42 HG2 GLU 42 4.795 -2.089 -14.349 355 HG3 GLU 42 HG3 GLU 42 4.423 -1.069 -15.739 356 H TYR 43 H TYR 43 8.165 0.098 -12.997 357 HA TYR 43 HA TYR 43 10.981 0.024 -13.795 358 HB2 TYR 43 HB2 TYR 43 9.276 2.538 -13.800 359 HB3 TYR 43 HB3 TYR 43 11.005 2.462 -14.127 360 HD1 TYR 43 HD2 TYR 43 11.767 1.093 -16.149 361 HD2 TYR 43 HD1 TYR 43 7.729 2.278 -15.537 362 HE1 TYR 43 HE2 TYR 43 11.301 0.702 -18.529 363 HE2 TYR 43 HE1 TYR 43 7.245 1.887 -17.919 364 HH TYR 43 HH TYR 43 9.354 0.186 -19.959 365 H CYS 44 H CYS 44 12.205 1.720 -12.335 366 HA CYS 44 HA CYS 44 11.512 0.964 -9.620 367 HB2 CYS 44 HB2 CYS 44 13.880 2.481 -10.733 368 HB3 CYS 44 HB3 CYS 44 13.693 2.018 -9.044 369 HG CYS 44 HG CYS 44 15.461 0.192 -9.914 370 H GLU 45 H GLU 45 10.538 2.203 -8.193 371 HA GLU 45 HA GLU 45 10.830 5.086 -8.277 372 HB2 GLU 45 HB2 GLU 45 8.799 4.675 -9.634 373 HB3 GLU 45 HB3 GLU 45 8.097 3.775 -8.297 374 HG2 GLU 45 HG2 GLU 45 7.146 5.960 -8.327 375 HG3 GLU 45 HG3 GLU 45 8.202 5.831 -6.923 376 H GLY 46 H GLY 46 11.486 5.551 -6.289 377 HA2 GLY 46 HA2 GLY 46 10.908 3.796 -4.066 378 HA3 GLY 46 HA3 GLY 46 11.878 5.261 -4.022 379 H LEU 47 H LEU 47 10.241 7.188 -4.844 380 HA LEU 47 HA LEU 47 8.585 8.609 -4.263 381 HB2 LEU 47 HB2 LEU 47 7.086 6.748 -4.908 382 HB3 LEU 47 HB3 LEU 47 7.145 6.147 -3.263 383 HG LEU 47 HG LEU 47 6.204 8.945 -3.652 384 HD11 LEU 47 HD11 LEU 47 4.560 6.510 -4.335 385 HD12 LEU 47 HD12 LEU 47 5.056 7.787 -5.446 386 HD13 LEU 47 HD13 LEU 47 3.929 8.145 -4.138 387 HD21 LEU 47 HD21 LEU 47 6.378 7.975 -1.419 388 HD22 LEU 47 HD22 LEU 47 5.318 6.650 -1.904 389 HD23 LEU 47 HD23 LEU 47 4.695 8.299 -1.836 390 H GLN 48 H GLN 48 9.189 9.964 -2.730 391 HA GLN 48 HA GLN 48 9.950 8.980 -0.127 392 HB2 GLN 48 HB2 GLN 48 10.139 11.600 -1.532 393 HB3 GLN 48 HB3 GLN 48 10.198 11.592 0.223 394 HG2 GLN 48 HG2 GLN 48 12.393 11.500 -1.135 395 HG3 GLN 48 HG3 GLN 48 12.209 10.477 0.288 396 HE21 GLN 48 HE21 GLN 48 12.214 10.549 -3.199 397 HE22 GLN 48 HE22 GLN 48 12.489 8.859 -3.424 398 H PHE 49 H PHE 49 9.218 10.740 1.683 399 HA PHE 49 HA PHE 49 6.625 9.866 2.299 400 HB2 PHE 49 HB2 PHE 49 6.818 11.299 4.294 401 HB3 PHE 49 HB3 PHE 49 8.253 10.332 4.019 402 HD1 PHE 49 HD2 PHE 49 10.343 11.356 3.314 403 HD2 PHE 49 HD1 PHE 49 6.890 13.694 4.166 404 HE1 PHE 49 HE2 PHE 49 11.748 13.369 3.467 405 HE2 PHE 49 HE1 PHE 49 8.288 15.711 4.325 406 HZ PHE 49 HZ PHE 49 10.721 15.549 3.977 407 H HIS 50 H HIS 50 7.771 12.888 0.941 408 HA HIS 50 HA HIS 50 5.253 14.198 1.435 409 HB2 HIS 50 HB2 HIS 50 6.204 16.182 0.719 410 HB3 HIS 50 HB3 HIS 50 7.583 15.317 1.372 411 HD1 HIS 50 HD1 HIS 50 9.541 14.947 -0.175 412 HD2 HIS 50 HD2 HIS 50 6.141 16.285 -2.164 413 HE1 HIS 50 HE1 HIS 50 10.308 15.580 -2.483 414 HE2 HIS 50 HE2 HIS 50 8.198 16.173 -3.728 415 H GLU 51 H GLU 51 6.325 12.092 -0.957 416 HA GLU 51 HA GLU 51 4.522 13.140 -2.985 417 HB2 GLU 51 HB2 GLU 51 6.187 10.616 -2.940 418 HB3 GLU 51 HB3 GLU 51 5.151 11.091 -4.276 419 HG2 GLU 51 HG2 GLU 51 7.094 11.918 -5.059 420 HG3 GLU 51 HG3 GLU 51 6.600 13.310 -4.096 421 H LEU 52 H LEU 52 4.442 10.989 -0.334 422 HA LEU 52 HA LEU 52 2.168 9.486 -1.310 423 HB2 LEU 52 HB2 LEU 52 4.084 8.735 0.342 424 HB3 LEU 52 HB3 LEU 52 3.050 9.467 1.550 425 HG LEU 52 HG LEU 52 2.725 7.039 1.396 426 HD11 LEU 52 HD11 LEU 52 0.862 8.400 2.137 427 HD12 LEU 52 HD12 LEU 52 0.291 7.022 1.195 428 HD13 LEU 52 HD13 LEU 52 0.343 8.626 0.465 429 HD21 LEU 52 HD21 LEU 52 3.252 6.755 -0.963 430 HD22 LEU 52 HD22 LEU 52 1.773 7.609 -1.404 431 HD23 LEU 52 HD23 LEU 52 1.681 6.056 -0.574 432 H THR 53 H THR 53 0.666 11.123 -1.671 433 HA THR 53 HA THR 53 -0.446 12.349 0.764 434 HB THR 53 HB THR 53 -1.121 14.282 -0.692 435 HG1 THR 53 HG1 THR 53 0.814 13.819 -2.566 436 HG21 THR 53 HG21 THR 53 1.843 13.733 -0.474 437 HG22 THR 53 HG22 THR 53 0.827 14.470 0.765 438 HG23 THR 53 HG23 THR 53 1.120 15.315 -0.755 439 H GLU 54 H GLU 54 -2.727 13.265 0.159 440 HA GLU 54 HA GLU 54 -4.464 11.161 -0.446 441 HB2 GLU 54 HB2 GLU 54 -5.209 13.022 0.871 442 HB3 GLU 54 HB3 GLU 54 -4.847 14.159 -0.414 443 HG2 GLU 54 HG2 GLU 54 -6.732 12.149 -1.272 444 HG3 GLU 54 HG3 GLU 54 -7.296 13.009 0.161 445 H ASP 55 H ASP 55 -2.949 13.571 -2.460 446 HA ASP 55 HA ASP 55 -4.463 13.251 -4.803 447 HB2 ASP 55 HB2 ASP 55 -2.975 15.133 -4.622 448 HB3 ASP 55 HB3 ASP 55 -1.581 14.077 -4.404 449 H PHE 56 H PHE 56 -1.445 11.681 -3.745 450 HA PHE 56 HA PHE 56 -1.137 10.046 -6.004 451 HB2 PHE 56 HB2 PHE 56 0.676 10.369 -4.380 452 HB3 PHE 56 HB3 PHE 56 -0.251 9.494 -3.163 453 HD1 PHE 56 HD2 PHE 56 1.305 9.112 -6.510 454 HD2 PHE 56 HD1 PHE 56 -0.057 7.174 -2.974 455 HE1 PHE 56 HE2 PHE 56 2.283 6.996 -7.300 456 HE2 PHE 56 HE1 PHE 56 0.921 5.057 -3.758 457 HZ PHE 56 HZ PHE 56 2.088 4.963 -5.924 458 H LEU 57 H LEU 57 -2.792 9.480 -2.925 459 HA LEU 57 HA LEU 57 -3.505 6.816 -3.334 460 HB2 LEU 57 HB2 LEU 57 -4.568 9.056 -1.686 461 HB3 LEU 57 HB3 LEU 57 -5.549 7.614 -1.842 462 HG LEU 57 HG LEU 57 -4.108 7.698 0.201 463 HD11 LEU 57 HD11 LEU 57 -3.372 5.376 0.035 464 HD12 LEU 57 HD12 LEU 57 -3.589 5.432 -1.715 465 HD13 LEU 57 HD13 LEU 57 -4.984 5.594 -0.647 466 HD21 LEU 57 HD21 LEU 57 -1.872 7.316 -1.783 467 HD22 LEU 57 HD22 LEU 57 -1.733 7.182 -0.029 468 HD23 LEU 57 HD23 LEU 57 -2.131 8.734 -0.767 469 H ARG 58 H ARG 58 -5.350 9.779 -4.116 470 HA ARG 58 HA ARG 58 -7.512 8.249 -5.211 471 HB2 ARG 58 HB2 ARG 58 -8.592 10.279 -5.670 472 HB3 ARG 58 HB3 ARG 58 -7.687 10.574 -4.195 473 HG2 ARG 58 HG2 ARG 58 -5.938 11.693 -5.541 474 HG3 ARG 58 HG3 ARG 58 -6.945 11.464 -6.974 475 HD2 ARG 58 HD2 ARG 58 -8.775 12.661 -5.630 476 HD3 ARG 58 HD3 ARG 58 -7.470 13.168 -4.560 477 HE ARG 58 HE ARG 58 -7.285 13.742 -7.433 478 HH11 ARG 58 HH11 ARG 58 -7.517 14.871 -4.115 479 HH12 ARG 58 HH12 ARG 58 -7.316 16.555 -4.555 480 HH21 ARG 58 HH21 ARG 58 -6.996 15.930 -7.992 481 HH22 ARG 58 HH22 ARG 58 -7.000 17.146 -6.749 482 H ASP 59 H ASP 59 -4.579 9.596 -6.491 483 HA ASP 59 HA ASP 59 -5.337 9.432 -9.248 484 HB2 ASP 59 HB2 ASP 59 -3.563 10.939 -8.665 485 HB3 ASP 59 HB3 ASP 59 -2.645 9.649 -7.893 486 H TYR 60 H TYR 60 -3.520 7.356 -7.036 487 HA TYR 60 HA TYR 60 -2.751 5.420 -8.944 488 HB2 TYR 60 HB2 TYR 60 -1.779 5.740 -6.626 489 HB3 TYR 60 HB3 TYR 60 -3.216 4.948 -5.991 490 HD1 TYR 60 HD1 TYR 60 -0.354 4.422 -8.306 491 HD2 TYR 60 HD2 TYR 60 -3.283 2.618 -5.809 492 HE1 TYR 60 HE1 TYR 60 0.736 2.238 -8.614 493 HE2 TYR 60 HE2 TYR 60 -2.203 0.432 -6.111 494 HH TYR 60 HH TYR 60 0.896 0.091 -7.484 495 H LEU 61 H LEU 61 -5.599 5.873 -6.975 496 HA LEU 61 HA LEU 61 -6.965 3.492 -7.443 497 HB2 LEU 61 HB2 LEU 61 -7.775 5.149 -5.890 498 HB3 LEU 61 HB3 LEU 61 -7.960 6.330 -7.168 499 HG LEU 61 HG LEU 61 -9.736 4.872 -8.164 500 HD11 LEU 61 HD11 LEU 61 -10.748 3.163 -6.751 501 HD12 LEU 61 HD12 LEU 61 -9.480 3.399 -5.547 502 HD13 LEU 61 HD13 LEU 61 -9.074 2.761 -7.140 503 HD21 LEU 61 HD21 LEU 61 -11.445 5.520 -6.547 504 HD22 LEU 61 HD22 LEU 61 -10.281 6.819 -6.805 505 HD23 LEU 61 HD23 LEU 61 -10.194 5.834 -5.345 506 H ILE 62 H ILE 62 -7.052 6.521 -9.303 507 HA ILE 62 HA ILE 62 -8.705 5.507 -11.382 508 HB ILE 62 HB ILE 62 -6.798 7.853 -11.513 509 HG12 ILE 62 HG12 ILE 62 -9.746 7.818 -10.828 510 HG13 ILE 62 HG13 ILE 62 -8.451 8.000 -9.651 511 HG21 ILE 62 HG21 ILE 62 -7.539 7.095 -13.708 512 HG22 ILE 62 HG22 ILE 62 -8.264 8.651 -13.305 513 HG23 ILE 62 HG23 ILE 62 -9.221 7.175 -13.180 514 HD11 ILE 62 HD11 ILE 62 -7.771 10.085 -10.716 515 HD12 ILE 62 HD12 ILE 62 -9.459 10.141 -10.206 516 HD13 ILE 62 HD13 ILE 62 -9.058 9.897 -11.907 517 H TYR 63 H TYR 63 -5.227 5.893 -11.012 518 HA TYR 63 HA TYR 63 -4.325 5.097 -13.509 519 HB2 TYR 63 HB2 TYR 63 -2.959 6.007 -11.632 520 HB3 TYR 63 HB3 TYR 63 -3.098 4.458 -10.816 521 HD1 TYR 63 HD1 TYR 63 -1.996 5.841 -14.112 522 HD2 TYR 63 HD2 TYR 63 -1.358 2.980 -11.032 523 HE1 TYR 63 HE1 TYR 63 0.058 5.095 -15.237 524 HE2 TYR 63 HE2 TYR 63 0.693 2.223 -12.151 525 HH TYR 63 HH TYR 63 2.174 3.972 -14.648 526 H MET 64 H MET 64 -5.065 3.099 -10.674 527 HA MET 64 HA MET 64 -4.526 0.611 -11.962 528 HB2 MET 64 HB2 MET 64 -4.429 0.934 -9.532 529 HB3 MET 64 HB3 MET 64 -6.154 1.236 -9.499 530 HG2 MET 64 HG2 MET 64 -6.689 -0.942 -9.687 531 HG3 MET 64 HG3 MET 64 -5.295 -1.314 -10.700 532 HE1 MET 64 HE1 MET 64 -6.139 -0.058 -7.040 533 HE2 MET 64 HE2 MET 64 -4.633 0.740 -7.496 534 HE3 MET 64 HE3 MET 64 -4.636 -0.480 -6.222 535 H LYS 65 H LYS 65 -7.432 2.503 -11.378 536 HA LYS 65 HA LYS 65 -9.317 0.628 -12.302 537 HB2 LYS 65 HB2 LYS 65 -9.399 3.188 -11.255 538 HB3 LYS 65 HB3 LYS 65 -9.995 3.410 -12.894 539 HG2 LYS 65 HG2 LYS 65 -11.101 1.411 -10.932 540 HG3 LYS 65 HG3 LYS 65 -11.781 3.012 -11.227 541 HD2 LYS 65 HD2 LYS 65 -12.214 2.421 -13.548 542 HD3 LYS 65 HD3 LYS 65 -11.456 0.844 -13.304 543 HE2 LYS 65 HE2 LYS 65 -13.170 0.230 -11.708 544 HE3 LYS 65 HE3 LYS 65 -13.895 1.832 -11.828 545 HZ1 LYS 65 HZ1 LYS 65 -13.661 -0.066 -14.102 546 HZ2 LYS 65 HZ2 LYS 65 -14.507 1.411 -14.081 547 HZ3 LYS 65 HZ3 LYS 65 -15.049 0.110 -13.141 548 H LYS 66 H LYS 66 -7.441 3.099 -13.984 549 HA LYS 66 HA LYS 66 -8.735 2.585 -16.520 550 HB2 LYS 66 HB2 LYS 66 -8.096 4.849 -16.023 551 HB3 LYS 66 HB3 LYS 66 -6.436 4.365 -15.719 552 HG2 LYS 66 HG2 LYS 66 -6.171 3.782 -18.078 553 HG3 LYS 66 HG3 LYS 66 -7.842 4.263 -18.382 554 HD2 LYS 66 HD2 LYS 66 -7.355 6.540 -17.802 555 HD3 LYS 66 HD3 LYS 66 -5.727 6.105 -17.275 556 HE2 LYS 66 HE2 LYS 66 -5.135 5.482 -19.539 557 HE3 LYS 66 HE3 LYS 66 -6.778 5.813 -20.082 558 HZ1 LYS 66 HZ1 LYS 66 -6.494 8.118 -19.614 559 HZ2 LYS 66 HZ2 LYS 66 -5.184 7.615 -20.567 560 HZ3 LYS 66 HZ3 LYS 66 -4.976 7.855 -18.900 561 H THR 67 H THR 67 -5.339 2.441 -15.436 562 HA THR 67 HA THR 67 -4.488 1.141 -17.812 563 HB THR 67 HB THR 67 -3.064 1.477 -15.165 564 HG1 THR 67 HG1 THR 67 -2.602 3.009 -17.497 565 HG21 THR 67 HG21 THR 67 -2.033 -0.275 -16.543 566 HG22 THR 67 HG22 THR 67 -1.004 1.154 -16.445 567 HG23 THR 67 HG23 THR 67 -1.947 0.848 -17.903 568 H LEU 68 H LEU 68 -5.302 -0.030 -14.570 569 HA LEU 68 HA LEU 68 -4.491 -2.730 -15.371 570 HB2 LEU 68 HB2 LEU 68 -5.133 -1.523 -12.691 571 HB3 LEU 68 HB3 LEU 68 -4.890 -3.241 -12.918 572 HG LEU 68 HG LEU 68 -2.844 -1.080 -13.423 573 HD11 LEU 68 HD11 LEU 68 -3.043 -3.199 -11.288 574 HD12 LEU 68 HD12 LEU 68 -3.231 -1.459 -11.062 575 HD13 LEU 68 HD13 LEU 68 -1.668 -2.123 -11.537 576 HD21 LEU 68 HD21 LEU 68 -1.290 -2.933 -13.812 577 HD22 LEU 68 HD22 LEU 68 -2.592 -2.917 -15.001 578 HD23 LEU 68 HD23 LEU 68 -2.625 -4.079 -13.674 579 H CYS 69 H CYS 69 -7.226 -0.839 -15.254 580 HA CYS 69 HA CYS 69 -9.404 -1.243 -15.712 581 HB2 CYS 69 HB2 CYS 69 -8.517 -4.097 -16.174 582 HB3 CYS 69 HB3 CYS 69 -10.049 -3.398 -16.682 583 HG CYS 69 HG CYS 69 -8.834 -1.570 -18.466 584 H ASN 70 H ASN 70 -8.052 -2.065 -12.964 585 HA ASN 70 HA ASN 70 -10.008 -3.954 -11.966 586 HB2 ASN 70 HB2 ASN 70 -7.620 -2.618 -10.734 587 HB3 ASN 70 HB3 ASN 70 -8.795 -3.462 -9.732 588 HD21 ASN 70 HD21 ASN 70 -6.274 -3.790 -12.078 589 HD22 ASN 70 HD22 ASN 70 -6.130 -5.506 -11.987 590 H ALA 71 H ALA 71 -11.463 -3.573 -10.275 591 HA ALA 71 HA ALA 71 -12.634 -0.921 -10.418 592 HB1 ALA 71 HB1 ALA 71 -14.055 -2.902 -10.663 593 HB2 ALA 71 HB2 ALA 71 -14.541 -1.914 -9.286 594 HB3 ALA 71 HB3 ALA 71 -13.632 -3.404 -9.025 595 H ASP 72 H ASP 72 -13.677 -0.159 -8.251 596 HA ASP 72 HA ASP 72 -11.641 0.720 -6.566 597 HB2 ASP 72 HB2 ASP 72 -14.590 0.475 -5.934 598 HB3 ASP 72 HB3 ASP 72 -13.431 1.422 -5.010 599 H SER 73 H SER 73 -13.747 -2.071 -6.299 600 HA SER 73 HA SER 73 -13.339 -2.786 -3.657 601 HB2 SER 73 HB2 SER 73 -13.804 -5.135 -4.508 602 HB3 SER 73 HB3 SER 73 -15.006 -3.914 -4.928 603 HG SER 73 HG SER 73 -14.656 -4.493 -6.917 604 H THR 74 H THR 74 -11.516 -3.866 -6.512 605 HA THR 74 HA THR 74 -9.554 -5.274 -5.026 606 HB THR 74 HB THR 74 -9.206 -4.115 -7.796 607 HG1 THR 74 HG1 THR 74 -10.500 -5.644 -8.551 608 HG21 THR 74 HG21 THR 74 -8.046 -6.569 -6.462 609 HG22 THR 74 HG22 THR 74 -7.187 -5.063 -6.784 610 HG23 THR 74 HG23 THR 74 -7.749 -6.061 -8.125 611 H ALA 75 H ALA 75 -9.683 -2.052 -6.479 612 HA ALA 75 HA ALA 75 -7.041 -1.278 -6.074 613 HB1 ALA 75 HB1 ALA 75 -7.814 0.995 -6.388 614 HB2 ALA 75 HB2 ALA 75 -9.478 0.496 -6.083 615 HB3 ALA 75 HB3 ALA 75 -8.629 -0.088 -7.513 616 H GLN 76 H GLN 76 -9.824 -0.971 -3.896 617 HA GLN 76 HA GLN 76 -8.583 0.600 -1.940 618 HB2 GLN 76 HB2 GLN 76 -10.890 -1.318 -1.926 619 HB3 GLN 76 HB3 GLN 76 -10.363 -0.525 -0.458 620 HG2 GLN 76 HG2 GLN 76 -11.239 0.877 -2.970 621 HG3 GLN 76 HG3 GLN 76 -12.236 0.634 -1.536 622 HE21 GLN 76 HE21 GLN 76 -11.358 3.100 -2.853 623 HE22 GLN 76 HE22 GLN 76 -10.526 4.005 -1.638 624 H ARG 77 H ARG 77 -8.559 -2.854 -2.519 625 HA ARG 77 HA ARG 77 -7.379 -3.590 -0.036 626 HB2 ARG 77 HB2 ARG 77 -7.351 -5.010 -2.707 627 HB3 ARG 77 HB3 ARG 77 -6.863 -5.724 -1.174 628 HG2 ARG 77 HG2 ARG 77 -9.079 -5.584 -0.316 629 HG3 ARG 77 HG3 ARG 77 -9.612 -4.624 -1.698 630 HD2 ARG 77 HD2 ARG 77 -9.199 -6.512 -3.183 631 HD3 ARG 77 HD3 ARG 77 -8.626 -7.470 -1.819 632 HE ARG 77 HE ARG 77 -10.944 -7.213 -0.898 633 HH11 ARG 77 HH11 ARG 77 -10.350 -6.944 -4.337 634 HH12 ARG 77 HH12 ARG 77 -11.931 -7.491 -4.792 635 HH21 ARG 77 HH21 ARG 77 -13.012 -7.936 -1.477 636 HH22 ARG 77 HH22 ARG 77 -13.452 -8.076 -3.150 637 H ASN 78 H ASN 78 -6.103 -2.770 -3.217 638 HA ASN 78 HA ASN 78 -3.375 -3.231 -2.609 639 HB2 ASN 78 HB2 ASN 78 -4.669 -1.449 -4.681 640 HB3 ASN 78 HB3 ASN 78 -2.940 -1.746 -4.592 641 HD21 ASN 78 HD21 ASN 78 -2.135 -3.772 -5.158 642 HD22 ASN 78 HD22 ASN 78 -3.084 -4.915 -6.038 643 H LEU 79 H LEU 79 -5.372 -0.315 -2.578 644 HA LEU 79 HA LEU 79 -3.373 1.448 -1.659 645 HB2 LEU 79 HB2 LEU 79 -6.373 1.573 -1.340 646 HB3 LEU 79 HB3 LEU 79 -5.284 2.890 -0.953 647 HG LEU 79 HG LEU 79 -5.665 1.700 -3.704 648 HD11 LEU 79 HD11 LEU 79 -6.612 4.321 -2.553 649 HD12 LEU 79 HD12 LEU 79 -7.630 2.936 -2.948 650 HD13 LEU 79 HD13 LEU 79 -6.785 3.803 -4.229 651 HD21 LEU 79 HD21 LEU 79 -4.073 4.088 -2.778 652 HD22 LEU 79 HD22 LEU 79 -4.340 3.620 -4.457 653 HD23 LEU 79 HD23 LEU 79 -3.418 2.568 -3.385 654 H SER 80 H SER 80 -5.620 -0.677 0.014 655 HA SER 80 HA SER 80 -5.147 0.194 2.638 656 HB2 SER 80 HB2 SER 80 -6.974 -1.367 1.944 657 HB3 SER 80 HB3 SER 80 -5.765 -2.632 1.737 658 HG SER 80 HG SER 80 -6.856 -1.563 4.047 659 H THR 81 H THR 81 -3.423 -2.059 0.559 660 HA THR 81 HA THR 81 -1.603 -2.977 2.534 661 HB THR 81 HB THR 81 -1.205 -2.862 -0.466 662 HG1 THR 81 HG1 THR 81 -3.110 -4.027 0.118 663 HG21 THR 81 HG21 THR 81 0.070 -4.596 1.655 664 HG22 THR 81 HG22 THR 81 0.860 -3.298 0.761 665 HG23 THR 81 HG23 THR 81 0.322 -4.751 -0.083 666 H ILE 82 H ILE 82 -1.593 -0.306 0.238 667 HA ILE 82 HA ILE 82 1.041 0.601 0.721 668 HB ILE 82 HB ILE 82 -1.408 2.081 -0.254 669 HG12 ILE 82 HG12 ILE 82 1.025 1.066 -1.737 670 HG13 ILE 82 HG13 ILE 82 -0.529 0.247 -1.691 671 HG21 ILE 82 HG21 ILE 82 0.135 3.672 0.750 672 HG22 ILE 82 HG22 ILE 82 0.116 3.847 -1.005 673 HG23 ILE 82 HG23 ILE 82 1.458 3.018 -0.216 674 HD11 ILE 82 HD11 ILE 82 -0.208 1.504 -3.758 675 HD12 ILE 82 HD12 ILE 82 -0.041 2.990 -2.823 676 HD13 ILE 82 HD13 ILE 82 -1.573 2.117 -2.824 677 H LYS 83 H LYS 83 -2.096 1.627 2.115 678 HA LYS 83 HA LYS 83 -1.007 3.559 3.821 679 HB2 LYS 83 HB2 LYS 83 -3.117 3.545 4.995 680 HB3 LYS 83 HB3 LYS 83 -3.382 3.515 3.268 681 HG2 LYS 83 HG2 LYS 83 -4.911 1.976 3.847 682 HG3 LYS 83 HG3 LYS 83 -3.519 0.896 3.763 683 HD2 LYS 83 HD2 LYS 83 -3.231 0.973 6.138 684 HD3 LYS 83 HD3 LYS 83 -4.432 2.257 6.295 685 HE2 LYS 83 HE2 LYS 83 -6.147 0.696 5.430 686 HE3 LYS 83 HE3 LYS 83 -4.933 -0.580 5.404 687 HZ1 LYS 83 HZ1 LYS 83 -5.520 0.896 7.891 688 HZ2 LYS 83 HZ2 LYS 83 -4.837 -0.646 7.707 689 HZ3 LYS 83 HZ3 LYS 83 -6.488 -0.410 7.412 690 H ILE 84 H ILE 84 -1.211 0.093 4.194 691 HA ILE 84 HA ILE 84 -0.687 -0.079 6.930 692 HB ILE 84 HB ILE 84 0.274 -1.863 4.685 693 HG12 ILE 84 HG12 ILE 84 -2.157 -1.774 4.953 694 HG13 ILE 84 HG13 ILE 84 -1.531 -3.348 5.428 695 HG21 ILE 84 HG21 ILE 84 1.757 -2.151 6.585 696 HG22 ILE 84 HG22 ILE 84 0.712 -3.561 6.408 697 HG23 ILE 84 HG23 ILE 84 0.373 -2.365 7.658 698 HD11 ILE 84 HD11 ILE 84 -3.259 -2.583 6.955 699 HD12 ILE 84 HD12 ILE 84 -2.320 -1.130 7.302 700 HD13 ILE 84 HD13 ILE 84 -1.701 -2.713 7.772 701 H TYR 85 H TYR 85 1.734 0.083 4.251 702 HA TYR 85 HA TYR 85 3.874 0.134 6.142 703 HB2 TYR 85 HB2 TYR 85 5.319 -0.002 4.358 704 HB3 TYR 85 HB3 TYR 85 3.882 -0.723 3.671 705 HD1 TYR 85 HD1 TYR 85 6.009 2.297 3.693 706 HD2 TYR 85 HD2 TYR 85 2.788 0.272 1.790 707 HE1 TYR 85 HE1 TYR 85 6.164 3.849 1.796 708 HE2 TYR 85 HE2 TYR 85 2.931 1.825 -0.110 709 HH TYR 85 HH TYR 85 5.572 3.969 -0.542 710 H VAL 86 H VAL 86 2.086 2.542 4.332 711 HA VAL 86 HA VAL 86 3.706 4.767 4.974 712 HB VAL 86 HB VAL 86 0.733 4.638 4.417 713 HG11 VAL 86 HG11 VAL 86 0.905 7.039 3.917 714 HG12 VAL 86 HG12 VAL 86 2.576 7.025 4.482 715 HG13 VAL 86 HG13 VAL 86 1.263 6.684 5.607 716 HG21 VAL 86 HG21 VAL 86 3.056 5.326 2.623 717 HG22 VAL 86 HG22 VAL 86 1.350 5.361 2.170 718 HG23 VAL 86 HG23 VAL 86 2.123 3.831 2.585 719 H SER 87 H SER 87 0.973 3.240 6.572 720 HA SER 87 HA SER 87 0.681 5.044 8.699 721 HB2 SER 87 HB2 SER 87 -0.151 2.257 8.097 722 HB3 SER 87 HB3 SER 87 -0.293 2.800 9.773 723 HG SER 87 HG SER 87 -1.604 3.675 7.456 724 H ALA 88 H ALA 88 2.872 2.346 8.209 725 HA ALA 88 HA ALA 88 3.850 2.184 10.860 726 HB1 ALA 88 HB1 ALA 88 5.793 1.061 9.876 727 HB2 ALA 88 HB2 ALA 88 5.270 1.566 8.269 728 HB3 ALA 88 HB3 ALA 88 4.285 0.441 9.202 729 H ALA 89 H ALA 89 4.594 4.232 8.128 730 HA ALA 89 HA ALA 89 6.858 5.504 9.355 731 HB1 ALA 89 HB1 ALA 89 5.250 6.339 6.943 732 HB2 ALA 89 HB2 ALA 89 6.689 5.319 6.918 733 HB3 ALA 89 HB3 ALA 89 6.810 7.002 7.429 734 H ILE 90 H ILE 90 3.442 5.966 9.324 735 HA ILE 90 HA ILE 90 3.563 8.625 10.435 736 HB ILE 90 HB ILE 90 1.213 6.712 10.396 737 HG12 ILE 90 HG12 ILE 90 1.874 8.890 8.405 738 HG13 ILE 90 HG13 ILE 90 2.169 7.177 8.128 739 HG21 ILE 90 HG21 ILE 90 -0.148 8.732 10.609 740 HG22 ILE 90 HG22 ILE 90 1.315 9.716 10.668 741 HG23 ILE 90 HG23 ILE 90 0.970 8.573 11.966 742 HD11 ILE 90 HD11 ILE 90 -0.229 6.742 8.325 743 HD12 ILE 90 HD12 ILE 90 0.135 7.887 7.034 744 HD13 ILE 90 HD13 ILE 90 -0.512 8.466 8.570 745 H LYS 91 H LYS 91 3.429 5.338 11.569 746 HA LYS 91 HA LYS 91 2.515 5.789 14.195 747 HB2 LYS 91 HB2 LYS 91 3.450 3.589 12.617 748 HB3 LYS 91 HB3 LYS 91 4.269 3.556 14.171 749 HG2 LYS 91 HG2 LYS 91 1.286 3.788 13.919 750 HG3 LYS 91 HG3 LYS 91 2.128 2.239 13.992 751 HD2 LYS 91 HD2 LYS 91 3.097 2.880 16.153 752 HD3 LYS 91 HD3 LYS 91 2.225 4.414 16.082 753 HE2 LYS 91 HE2 LYS 91 0.113 3.285 16.175 754 HE3 LYS 91 HE3 LYS 91 0.890 1.713 16.002 755 HZ1 LYS 91 HZ1 LYS 91 0.235 2.190 18.294 756 HZ2 LYS 91 HZ2 LYS 91 1.259 3.540 18.316 757 HZ3 LYS 91 HZ3 LYS 91 1.914 1.983 18.148 758 H LYS 92 H LYS 92 5.802 5.394 12.903 759 HA LYS 92 HA LYS 92 6.763 7.485 14.550 760 HB2 LYS 92 HB2 LYS 92 6.676 5.532 16.142 761 HB3 LYS 92 HB3 LYS 92 7.874 4.743 15.127 762 HG2 LYS 92 HG2 LYS 92 9.478 6.450 15.579 763 HG3 LYS 92 HG3 LYS 92 8.276 7.415 16.443 764 HD2 LYS 92 HD2 LYS 92 8.039 5.597 18.074 765 HD3 LYS 92 HD3 LYS 92 9.301 4.701 17.232 766 HE2 LYS 92 HE2 LYS 92 10.902 6.461 17.692 767 HE3 LYS 92 HE3 LYS 92 9.648 7.431 18.462 768 HZ1 LYS 92 HZ1 LYS 92 10.563 4.775 19.418 769 HZ2 LYS 92 HZ2 LYS 92 9.435 5.787 20.185 770 HZ3 LYS 92 HZ3 LYS 92 11.059 6.262 20.065 771 H GLY 93 H GLY 93 6.946 7.838 12.152 772 HA2 GLY 93 HA2 GLY 93 9.677 7.039 11.372 773 HA3 GLY 93 HA3 GLY 93 8.368 7.078 10.197 774 H TYR 94 H TYR 94 7.418 9.127 9.669 775 HA TYR 94 HA TYR 94 8.705 11.541 10.547 776 HB2 TYR 94 HB2 TYR 94 10.240 10.386 8.811 777 HB3 TYR 94 HB3 TYR 94 9.054 10.929 7.633 778 HD1 TYR 94 HD1 TYR 94 11.217 12.205 10.384 779 HD2 TYR 94 HD2 TYR 94 9.206 13.078 6.741 780 HE1 TYR 94 HE1 TYR 94 12.273 14.425 10.341 781 HE2 TYR 94 HE2 TYR 94 10.258 15.300 6.685 782 HH TYR 94 HH TYR 94 11.260 16.900 8.209 783 H MET 95 H MET 95 6.334 9.841 8.764 784 HA MET 95 HA MET 95 5.079 11.857 7.335 785 HB2 MET 95 HB2 MET 95 3.950 9.410 8.684 786 HB3 MET 95 HB3 MET 95 3.009 10.452 7.635 787 HG2 MET 95 HG2 MET 95 5.507 9.000 6.811 788 HG3 MET 95 HG3 MET 95 3.866 8.432 6.513 789 HE1 MET 95 HE1 MET 95 2.210 9.490 4.746 790 HE2 MET 95 HE2 MET 95 2.485 11.058 3.987 791 HE3 MET 95 HE3 MET 95 2.236 10.954 5.729 792 H GLU 96 H GLU 96 3.719 13.454 7.814 793 HA GLU 96 HA GLU 96 3.426 14.207 10.599 794 HB2 GLU 96 HB2 GLU 96 2.634 15.624 8.046 795 HB3 GLU 96 HB3 GLU 96 2.518 16.316 9.658 796 HG2 GLU 96 HG2 GLU 96 5.103 15.372 8.444 797 HG3 GLU 96 HG3 GLU 96 4.508 17.026 8.313 798 H ASN 97 H ASN 97 1.353 13.509 7.824 799 HA ASN 97 HA ASN 97 -0.872 12.965 9.644 800 HB2 ASN 97 HB2 ASN 97 -2.433 14.123 8.166 801 HB3 ASN 97 HB3 ASN 97 -1.184 15.241 8.701 802 HD21 ASN 97 HD21 ASN 97 -2.902 15.436 6.394 803 HD22 ASN 97 HD22 ASN 97 -1.866 15.505 5.009 804 H ASP 98 H ASP 98 -2.579 11.666 8.530 805 HA ASP 98 HA ASP 98 -1.329 9.742 6.744 806 HB2 ASP 98 HB2 ASP 98 -3.445 8.440 7.224 807 HB3 ASP 98 HB3 ASP 98 -2.388 8.699 8.595 808 HA PRO 99 HA PRO 99 -3.429 11.389 3.277 809 HB2 PRO 99 HB2 PRO 99 -3.237 9.328 1.566 810 HB3 PRO 99 HB3 PRO 99 -1.820 10.234 2.099 811 HG2 PRO 99 HG2 PRO 99 -2.850 7.594 3.063 812 HG3 PRO 99 HG3 PRO 99 -1.183 8.078 2.702 813 HD2 PRO 99 HD2 PRO 99 -2.215 8.005 5.229 814 HD3 PRO 99 HD3 PRO 99 -0.907 9.098 4.736 815 H PHE 100 H PHE 100 -4.706 8.599 4.888 816 HA PHE 100 HA PHE 100 -6.992 8.414 3.116 817 HB2 PHE 100 HB2 PHE 100 -7.719 6.554 4.538 818 HB3 PHE 100 HB3 PHE 100 -6.078 6.353 3.959 819 HD1 PHE 100 HD2 PHE 100 -8.166 6.985 6.903 820 HD2 PHE 100 HD1 PHE 100 -4.220 6.296 5.465 821 HE1 PHE 100 HE2 PHE 100 -7.411 6.538 9.200 822 HE2 PHE 100 HE1 PHE 100 -3.461 5.839 7.760 823 HZ PHE 100 HZ PHE 100 -5.056 5.960 9.632 824 H LYS 101 H LYS 101 -6.156 10.088 5.910 825 HA LYS 101 HA LYS 101 -8.749 10.536 6.954 826 HB2 LYS 101 HB2 LYS 101 -6.645 10.852 8.218 827 HB3 LYS 101 HB3 LYS 101 -6.222 12.191 7.164 828 HG2 LYS 101 HG2 LYS 101 -8.786 12.288 8.655 829 HG3 LYS 101 HG3 LYS 101 -7.276 12.594 9.514 830 HD2 LYS 101 HD2 LYS 101 -8.134 14.023 7.006 831 HD3 LYS 101 HD3 LYS 101 -8.360 14.635 8.636 832 HE2 LYS 101 HE2 LYS 101 -5.970 14.651 9.010 833 HE3 LYS 101 HE3 LYS 101 -5.701 13.926 7.426 834 HZ1 LYS 101 HZ1 LYS 101 -6.616 15.894 6.389 835 HZ2 LYS 101 HZ2 LYS 101 -5.315 16.312 7.394 836 HZ3 LYS 101 HZ3 LYS 101 -6.907 16.596 7.907 837 H ASP 102 H ASP 102 -6.785 12.003 4.459 838 HA ASP 102 HA ASP 102 -8.660 14.192 4.041 839 HB2 ASP 102 HB2 ASP 102 -5.940 13.495 3.042 840 HB3 ASP 102 HB3 ASP 102 -6.948 14.522 2.034 841 H PHE 103 H PHE 103 -8.581 11.031 3.170 842 HA PHE 103 HA PHE 103 -8.917 11.237 0.339 843 HB2 PHE 103 HB2 PHE 103 -7.923 9.264 1.562 844 HB3 PHE 103 HB3 PHE 103 -9.551 8.858 2.088 845 HD1 PHE 103 HD2 PHE 103 -7.695 9.624 -1.054 846 HD2 PHE 103 HD1 PHE 103 -10.717 7.308 0.851 847 HE1 PHE 103 HE2 PHE 103 -8.029 8.357 -3.135 848 HE2 PHE 103 HE1 PHE 103 -11.055 6.036 -1.227 849 HZ PHE 103 HZ PHE 103 -9.712 6.559 -3.222 850 H GLY 104 H GLY 104 -10.675 12.897 0.673 851 HA2 GLY 104 HA2 GLY 104 -12.837 13.417 0.103 852 HA3 GLY 104 HA3 GLY 104 -13.096 11.712 -0.216 853 H LEU 105 H LEU 105 -11.998 12.233 2.938 854 HA LEU 105 HA LEU 105 -14.717 11.745 3.919 855 HB2 LEU 105 HB2 LEU 105 -12.029 11.268 5.201 856 HB3 LEU 105 HB3 LEU 105 -13.564 10.974 5.995 857 HG LEU 105 HG LEU 105 -12.552 9.560 3.526 858 HD11 LEU 105 HD11 LEU 105 -11.389 8.890 5.557 859 HD12 LEU 105 HD12 LEU 105 -12.452 7.602 4.987 860 HD13 LEU 105 HD13 LEU 105 -12.933 8.602 6.358 861 HD21 LEU 105 HD21 LEU 105 -14.532 8.143 3.795 862 HD22 LEU 105 HD22 LEU 105 -14.967 9.821 3.469 863 HD23 LEU 105 HD23 LEU 105 -15.090 9.179 5.109 864 H GLU 106 H GLU 106 -12.879 14.323 3.421 865 HA GLU 106 HA GLU 106 -13.405 15.636 5.975 866 HB2 GLU 106 HB2 GLU 106 -11.165 15.859 4.884 867 HB3 GLU 106 HB3 GLU 106 -11.940 16.699 3.548 868 HG2 GLU 106 HG2 GLU 106 -12.480 17.810 6.216 869 HG3 GLU 106 HG3 GLU 106 -10.805 17.908 5.680 870 H HIS 107 H HIS 107 -15.097 16.910 6.259 871 HA HIS 107 HA HIS 107 -16.360 18.173 3.928 872 HB2 HIS 107 HB2 HIS 107 -17.636 16.096 4.579 873 HB3 HIS 107 HB3 HIS 107 -17.946 16.845 6.142 874 HD1 HIS 107 HD1 HIS 107 -20.083 18.103 6.288 875 HD2 HIS 107 HD2 HIS 107 -18.700 17.830 2.368 876 HE1 HIS 107 HE1 HIS 107 -21.857 19.172 4.861 877 HE2 HIS 107 HE2 HIS 107 -21.032 18.962 2.490 878 H HIS 108 H HIS 108 -14.626 19.510 5.353 879 HA HIS 108 HA HIS 108 -15.763 20.848 7.626 880 HB2 HIS 108 HB2 HIS 108 -13.410 20.666 7.650 881 HB3 HIS 108 HB3 HIS 108 -13.264 21.212 5.987 882 HD1 HIS 108 HD1 HIS 108 -14.282 22.663 9.377 883 HD2 HIS 108 HD2 HIS 108 -12.578 23.800 5.751 884 HE1 HIS 108 HE1 HIS 108 -13.602 25.064 9.663 885 HE2 HIS 108 HE2 HIS 108 -12.669 25.763 7.424 886 H HIS 109 H HIS 109 -17.601 21.872 7.133 887 HA HIS 109 HA HIS 109 -17.554 23.884 4.992 888 HB2 HIS 109 HB2 HIS 109 -19.352 22.288 4.716 889 HB3 HIS 109 HB3 HIS 109 -19.865 22.509 6.384 890 HD1 HIS 109 HD1 HIS 109 -19.722 24.416 3.110 891 HD2 HIS 109 HD2 HIS 109 -21.717 24.490 6.760 892 HE1 HIS 109 HE1 HIS 109 -21.526 26.154 2.864 893 HE2 HIS 109 HE2 HIS 109 -22.577 26.324 5.152 894 H HIS 110 H HIS 110 -17.064 25.835 5.700 895 HA HIS 110 HA HIS 110 -17.069 27.777 6.866 896 HB2 HIS 110 HB2 HIS 110 -19.503 27.598 6.926 897 HB3 HIS 110 HB3 HIS 110 -19.416 26.541 8.328 898 HD1 HIS 110 HD1 HIS 110 -19.418 27.632 10.581 899 HD2 HIS 110 HD2 HIS 110 -18.715 30.336 7.495 900 HE1 HIS 110 HE1 HIS 110 -19.504 29.917 11.642 901 HE2 HIS 110 HE2 HIS 110 -19.210 31.541 9.733 902 H HIS 111 H HIS 111 -15.436 28.219 8.155 903 HA HIS 111 HA HIS 111 -14.495 26.446 10.167 904 HB2 HIS 111 HB2 HIS 111 -12.900 27.903 9.125 905 HB3 HIS 111 HB3 HIS 111 -13.849 29.330 9.518 906 HD1 HIS 111 HD1 HIS 111 -11.603 26.750 11.153 907 HD2 HIS 111 HD2 HIS 111 -13.306 30.462 11.961 908 HE1 HIS 111 HE1 HIS 111 -10.534 27.541 13.285 909 HE2 HIS 111 HE2 HIS 111 -11.534 29.818 13.727 910 H HIS 112 H HIS 112 -15.103 26.238 12.214 911 HA HIS 112 HA HIS 112 -17.213 27.927 13.244 912 HB2 HIS 112 HB2 HIS 112 -17.373 25.537 13.632 913 HB3 HIS 112 HB3 HIS 112 -15.798 25.520 14.417 914 HD1 HIS 112 HD1 HIS 112 -15.878 25.583 16.881 915 HD2 HIS 112 HD2 HIS 112 -19.301 27.234 15.190 916 HE1 HIS 112 HE1 HIS 112 -17.385 26.145 18.815 917 HE2 HIS 112 HE2 HIS 112 -19.470 27.103 17.774 Start of MODEL 13 1 H1 MET 1 H1 MET 1 27.471 -5.732 4.988 2 H2 MET 1 H2 MET 1 27.286 -4.443 6.070 3 H3 MET 1 H3 MET 1 28.616 -5.482 6.207 4 HA MET 1 HA MET 1 29.301 -3.415 5.228 5 HB2 MET 1 HB2 MET 1 30.424 -4.285 3.279 6 HB3 MET 1 HB3 MET 1 30.363 -5.550 4.500 7 HG2 MET 1 HG2 MET 1 28.542 -6.630 3.345 8 HG3 MET 1 HG3 MET 1 28.470 -5.318 2.172 9 HE1 MET 1 HE1 MET 1 28.603 -6.962 0.151 10 HE2 MET 1 HE2 MET 1 28.622 -8.335 1.257 11 HE3 MET 1 HE3 MET 1 29.824 -8.222 -0.028 12 H ASN 2 H ASN 2 26.213 -3.966 4.651 13 HA ASN 2 HA ASN 2 26.115 -2.318 2.207 14 HB2 ASN 2 HB2 ASN 2 24.394 -4.648 3.035 15 HB3 ASN 2 HB3 ASN 2 23.810 -3.443 1.894 16 HD21 ASN 2 HD21 ASN 2 23.654 -4.937 0.245 17 HD22 ASN 2 HD22 ASN 2 25.043 -5.586 -0.560 18 H ASN 3 H ASN 3 24.000 -1.128 2.009 19 HA ASN 3 HA ASN 3 23.183 -0.027 4.585 20 HB2 ASN 3 HB2 ASN 3 23.654 1.424 2.562 21 HB3 ASN 3 HB3 ASN 3 22.235 0.721 1.803 22 HD21 ASN 3 HD21 ASN 3 23.418 2.857 4.250 23 HD22 ASN 3 HD22 ASN 3 21.905 3.631 4.601 24 HA PRO 4 HA PRO 4 19.579 -2.661 4.678 25 HB2 PRO 4 HB2 PRO 4 18.238 -0.635 6.314 26 HB3 PRO 4 HB3 PRO 4 18.758 -2.262 6.759 27 HG2 PRO 4 HG2 PRO 4 19.970 -0.044 7.715 28 HG3 PRO 4 HG3 PRO 4 20.843 -1.557 7.421 29 HD2 PRO 4 HD2 PRO 4 20.738 0.925 5.746 30 HD3 PRO 4 HD3 PRO 4 22.123 -0.122 6.124 31 H SER 5 H SER 5 19.373 -1.886 2.328 32 HA SER 5 HA SER 5 16.740 -0.697 2.022 33 HB2 SER 5 HB2 SER 5 18.246 1.242 1.911 34 HB3 SER 5 HB3 SER 5 19.179 0.451 0.643 35 HG SER 5 HG SER 5 17.494 0.684 -0.763 36 H ASP 6 H ASP 6 15.844 -2.434 1.070 37 HA ASP 6 HA ASP 6 16.967 -3.211 -1.539 38 HB2 ASP 6 HB2 ASP 6 16.385 -4.988 0.285 39 HB3 ASP 6 HB3 ASP 6 14.715 -4.672 -0.170 40 H PHE 7 H PHE 7 15.113 -1.048 -0.246 41 HA PHE 7 HA PHE 7 12.818 -1.354 -1.998 42 HB2 PHE 7 HB2 PHE 7 12.173 0.773 -0.429 43 HB3 PHE 7 HB3 PHE 7 11.714 -0.896 -0.137 44 HD1 PHE 7 HD2 PHE 7 14.044 1.792 0.842 45 HD2 PHE 7 HD1 PHE 7 12.635 -2.144 1.627 46 HE1 PHE 7 HE2 PHE 7 15.171 1.822 3.035 47 HE2 PHE 7 HE1 PHE 7 13.750 -2.123 3.809 48 HZ PHE 7 HZ PHE 7 15.011 -0.145 4.520 49 H LYS 8 H LYS 8 12.777 -0.451 -3.763 50 HA LYS 8 HA LYS 8 14.125 2.109 -4.244 51 HB2 LYS 8 HB2 LYS 8 12.942 0.265 -6.308 52 HB3 LYS 8 HB3 LYS 8 14.232 1.437 -6.493 53 HG2 LYS 8 HG2 LYS 8 15.774 0.060 -5.320 54 HG3 LYS 8 HG3 LYS 8 14.488 -1.036 -4.816 55 HD2 LYS 8 HD2 LYS 8 14.106 -1.438 -7.310 56 HD3 LYS 8 HD3 LYS 8 15.677 -0.668 -7.545 57 HE2 LYS 8 HE2 LYS 8 15.955 -3.067 -7.445 58 HE3 LYS 8 HE3 LYS 8 16.683 -2.325 -6.018 59 HZ1 LYS 8 HZ1 LYS 8 13.994 -3.593 -6.117 60 HZ2 LYS 8 HZ2 LYS 8 14.725 -2.925 -4.742 61 HZ3 LYS 8 HZ3 LYS 8 15.384 -4.309 -5.464 62 H SER 9 H SER 9 11.160 0.435 -3.990 63 HA SER 9 HA SER 9 9.648 2.869 -4.654 64 HB2 SER 9 HB2 SER 9 8.764 0.102 -5.494 65 HB3 SER 9 HB3 SER 9 8.047 1.646 -5.949 66 HG SER 9 HG SER 9 10.392 1.971 -6.788 67 H PHE 10 H PHE 10 7.248 2.490 -3.951 68 HA PHE 10 HA PHE 10 7.198 2.208 -1.183 69 HB2 PHE 10 HB2 PHE 10 4.740 2.321 -1.396 70 HB3 PHE 10 HB3 PHE 10 5.548 3.543 -2.364 71 HD1 PHE 10 HD2 PHE 10 5.684 3.259 -4.834 72 HD2 PHE 10 HD1 PHE 10 3.345 0.688 -2.378 73 HE1 PHE 10 HE2 PHE 10 4.430 2.512 -6.815 74 HE2 PHE 10 HE1 PHE 10 2.088 -0.062 -4.354 75 HZ PHE 10 HZ PHE 10 2.628 0.850 -6.574 76 H HIS 11 H HIS 11 6.389 -0.123 -3.707 77 HA HIS 11 HA HIS 11 5.185 -2.113 -2.180 78 HB2 HIS 11 HB2 HIS 11 5.068 -2.524 -4.464 79 HB3 HIS 11 HB3 HIS 11 6.751 -2.092 -4.737 80 HD1 HIS 11 HD1 HIS 11 8.535 -3.953 -4.426 81 HD2 HIS 11 HD2 HIS 11 4.622 -5.221 -3.748 82 HE1 HIS 11 HE1 HIS 11 8.625 -6.464 -4.394 83 HE2 HIS 11 HE2 HIS 11 6.288 -7.199 -3.815 84 H ASP 12 H ASP 12 8.558 -1.374 -2.677 85 HA ASP 12 HA ASP 12 9.536 -3.849 -1.662 86 HB2 ASP 12 HB2 ASP 12 11.093 -1.287 -1.938 87 HB3 ASP 12 HB3 ASP 12 11.695 -2.927 -2.019 88 H PHE 13 H PHE 13 9.215 -0.564 -0.445 89 HA PHE 13 HA PHE 13 10.514 -0.971 2.027 90 HB2 PHE 13 HB2 PHE 13 9.549 1.203 0.709 91 HB3 PHE 13 HB3 PHE 13 8.333 1.016 1.965 92 HD1 PHE 13 HD2 PHE 13 10.254 -0.112 4.074 93 HD2 PHE 13 HD1 PHE 13 10.468 3.246 1.472 94 HE1 PHE 13 HE2 PHE 13 11.745 1.021 5.666 95 HE2 PHE 13 HE1 PHE 13 11.964 4.387 3.059 96 HZ PHE 13 HZ PHE 13 12.602 3.275 5.160 97 H VAL 14 H VAL 14 7.107 -1.168 1.054 98 HA VAL 14 HA VAL 14 6.014 -1.736 3.574 99 HB VAL 14 HB VAL 14 5.070 -2.683 0.857 100 HG11 VAL 14 HG11 VAL 14 4.087 -4.037 2.615 101 HG12 VAL 14 HG12 VAL 14 2.873 -2.952 1.936 102 HG13 VAL 14 HG13 VAL 14 3.611 -2.584 3.495 103 HG21 VAL 14 HG21 VAL 14 4.253 -0.293 2.508 104 HG22 VAL 14 HG22 VAL 14 3.507 -0.795 0.992 105 HG23 VAL 14 HG23 VAL 14 5.186 -0.257 1.011 106 H ALA 15 H ALA 15 7.451 -3.813 1.124 107 HA ALA 15 HA ALA 15 6.825 -6.287 2.301 108 HB1 ALA 15 HB1 ALA 15 7.564 -6.071 -0.016 109 HB2 ALA 15 HB2 ALA 15 8.575 -7.210 0.876 110 HB3 ALA 15 HB3 ALA 15 9.167 -5.584 0.537 111 H SER 16 H SER 16 9.575 -4.094 2.756 112 HA SER 16 HA SER 16 11.222 -5.776 4.265 113 HB2 SER 16 HB2 SER 16 11.942 -3.570 3.369 114 HB3 SER 16 HB3 SER 16 10.925 -2.765 4.562 115 HG SER 16 HG SER 16 12.551 -2.937 5.859 116 H TYR 17 H TYR 17 8.569 -3.671 5.278 117 HA TYR 17 HA TYR 17 8.869 -4.291 8.066 118 HB2 TYR 17 HB2 TYR 17 7.939 -2.151 7.438 119 HB3 TYR 17 HB3 TYR 17 6.664 -2.929 6.510 120 HD1 TYR 17 HD2 TYR 17 7.960 -2.561 9.984 121 HD2 TYR 17 HD1 TYR 17 4.606 -3.382 7.500 122 HE1 TYR 17 HE2 TYR 17 6.491 -2.502 11.956 123 HE2 TYR 17 HE1 TYR 17 3.132 -3.322 9.463 124 HH TYR 17 HH TYR 17 4.130 -2.110 12.481 125 H MET 18 H MET 18 6.713 -5.304 5.457 126 HA MET 18 HA MET 18 4.956 -6.798 7.079 127 HB2 MET 18 HB2 MET 18 4.431 -5.953 4.805 128 HB3 MET 18 HB3 MET 18 5.493 -7.181 4.139 129 HG2 MET 18 HG2 MET 18 4.086 -8.934 4.857 130 HG3 MET 18 HG3 MET 18 3.140 -7.851 5.876 131 HE1 MET 18 HE1 MET 18 2.718 -5.326 4.013 132 HE2 MET 18 HE2 MET 18 1.420 -6.059 4.954 133 HE3 MET 18 HE3 MET 18 1.187 -5.724 3.238 134 H LYS 19 H LYS 19 8.019 -7.641 5.569 135 HA LYS 19 HA LYS 19 8.022 -10.389 5.685 136 HB2 LYS 19 HB2 LYS 19 10.197 -8.433 6.403 137 HB3 LYS 19 HB3 LYS 19 10.468 -10.167 6.417 138 HG2 LYS 19 HG2 LYS 19 9.890 -10.265 4.033 139 HG3 LYS 19 HG3 LYS 19 9.657 -8.514 4.035 140 HD2 LYS 19 HD2 LYS 19 11.994 -8.209 4.716 141 HD3 LYS 19 HD3 LYS 19 12.225 -9.958 4.697 142 HE2 LYS 19 HE2 LYS 19 11.715 -9.990 2.301 143 HE3 LYS 19 HE3 LYS 19 11.491 -8.241 2.327 144 HZ1 LYS 19 HZ1 LYS 19 13.683 -8.758 1.531 145 HZ2 LYS 19 HZ2 LYS 19 14.011 -9.706 2.901 146 HZ3 LYS 19 HZ3 LYS 19 13.817 -8.028 3.059 147 H THR 20 H THR 20 8.881 -8.216 8.378 148 HA THR 20 HA THR 20 9.005 -10.365 10.268 149 HB THR 20 HB THR 20 8.800 -7.416 10.897 150 HG1 THR 20 HG1 THR 20 11.042 -8.970 10.066 151 HG21 THR 20 HG21 THR 20 10.195 -8.049 12.835 152 HG22 THR 20 HG22 THR 20 10.086 -9.738 12.338 153 HG23 THR 20 HG23 THR 20 8.633 -8.867 12.830 154 H TYR 21 H TYR 21 6.609 -8.098 9.188 155 HA TYR 21 HA TYR 21 4.919 -8.301 11.489 156 HB2 TYR 21 HB2 TYR 21 5.124 -6.315 9.929 157 HB3 TYR 21 HB3 TYR 21 4.182 -7.236 8.763 158 HD1 TYR 21 HD2 TYR 21 3.950 -6.440 12.408 159 HD2 TYR 21 HD1 TYR 21 1.974 -6.630 8.649 160 HE1 TYR 21 HE2 TYR 21 1.887 -5.628 13.462 161 HE2 TYR 21 HE1 TYR 21 -0.096 -5.815 9.685 162 HH TYR 21 HH TYR 21 -0.173 -4.448 12.788 163 H SER 22 H SER 22 5.416 -10.281 8.792 164 HA SER 22 HA SER 22 2.830 -11.246 8.277 165 HB2 SER 22 HB2 SER 22 3.998 -13.221 7.304 166 HB3 SER 22 HB3 SER 22 4.670 -11.687 6.749 167 HG SER 22 HG SER 22 6.487 -12.097 7.759 168 H ARG 23 H ARG 23 4.929 -11.756 10.941 169 HA ARG 23 HA ARG 23 4.044 -14.239 11.884 170 HB2 ARG 23 HB2 ARG 23 4.973 -11.787 13.385 171 HB3 ARG 23 HB3 ARG 23 4.723 -13.359 14.128 172 HG2 ARG 23 HG2 ARG 23 6.465 -14.327 12.776 173 HG3 ARG 23 HG3 ARG 23 6.668 -12.807 11.902 174 HD2 ARG 23 HD2 ARG 23 7.135 -13.223 14.853 175 HD3 ARG 23 HD3 ARG 23 8.390 -13.092 13.620 176 HE ARG 23 HE ARG 23 7.180 -10.800 13.222 177 HH11 ARG 23 HH11 ARG 23 7.906 -12.335 16.301 178 HH12 ARG 23 HH12 ARG 23 8.039 -10.827 17.157 179 HH21 ARG 23 HH21 ARG 23 7.345 -8.830 14.349 180 HH22 ARG 23 HH22 ARG 23 7.741 -8.840 16.044 181 H ARG 24 H ARG 24 2.561 -11.100 11.896 182 HA ARG 24 HA ARG 24 0.457 -12.039 13.723 183 HB2 ARG 24 HB2 ARG 24 1.084 -9.223 12.813 184 HB3 ARG 24 HB3 ARG 24 -0.128 -9.683 14.001 185 HG2 ARG 24 HG2 ARG 24 1.676 -10.601 15.424 186 HG3 ARG 24 HG3 ARG 24 2.854 -9.993 14.260 187 HD2 ARG 24 HD2 ARG 24 2.619 -8.447 16.111 188 HD3 ARG 24 HD3 ARG 24 2.013 -7.716 14.624 189 HE ARG 24 HE ARG 24 -0.181 -7.898 15.448 190 HH11 ARG 24 HH11 ARG 24 2.180 -9.172 17.705 191 HH12 ARG 24 HH12 ARG 24 1.103 -9.066 19.072 192 HH21 ARG 24 HH21 ARG 24 -1.578 -7.739 17.245 193 HH22 ARG 24 HH22 ARG 24 -1.036 -8.266 18.808 194 H LEU 25 H LEU 25 0.971 -12.275 10.634 195 HA LEU 25 HA LEU 25 -1.727 -11.417 9.825 196 HB2 LEU 25 HB2 LEU 25 0.851 -11.068 8.567 197 HB3 LEU 25 HB3 LEU 25 -0.219 -11.978 7.524 198 HG LEU 25 HG LEU 25 -1.854 -10.193 7.555 199 HD11 LEU 25 HD11 LEU 25 0.065 -8.728 9.361 200 HD12 LEU 25 HD12 LEU 25 -1.501 -9.389 9.830 201 HD13 LEU 25 HD13 LEU 25 -1.415 -8.068 8.664 202 HD21 LEU 25 HD21 LEU 25 0.922 -9.157 7.001 203 HD22 LEU 25 HD22 LEU 25 -0.584 -8.488 6.369 204 HD23 LEU 25 HD23 LEU 25 -0.069 -10.107 5.892 205 H GLU 26 H GLU 26 -3.114 -13.015 9.446 206 HA GLU 26 HA GLU 26 -2.481 -15.730 9.390 207 HB2 GLU 26 HB2 GLU 26 -4.742 -14.302 9.573 208 HB3 GLU 26 HB3 GLU 26 -4.843 -14.744 7.880 209 HG2 GLU 26 HG2 GLU 26 -4.516 -16.695 10.139 210 HG3 GLU 26 HG3 GLU 26 -6.052 -16.237 9.416 211 H ILE 27 H ILE 27 -2.503 -17.190 7.604 212 HA ILE 27 HA ILE 27 -0.880 -16.334 5.457 213 HB ILE 27 HB ILE 27 -2.554 -18.852 5.617 214 HG12 ILE 27 HG12 ILE 27 -1.062 -18.641 7.557 215 HG13 ILE 27 HG13 ILE 27 -0.514 -19.923 6.481 216 HG21 ILE 27 HG21 ILE 27 -1.763 -18.362 3.363 217 HG22 ILE 27 HG22 ILE 27 -0.940 -19.773 4.028 218 HG23 ILE 27 HG23 ILE 27 -0.111 -18.217 3.964 219 HD11 ILE 27 HD11 ILE 27 1.184 -18.435 5.569 220 HD12 ILE 27 HD12 ILE 27 1.346 -18.612 7.316 221 HD13 ILE 27 HD13 ILE 27 0.634 -17.147 6.641 222 H GLY 28 H GLY 28 -4.352 -16.795 5.808 223 HA2 GLY 28 HA2 GLY 28 -5.146 -16.679 3.146 224 HA3 GLY 28 HA3 GLY 28 -6.113 -16.130 4.504 225 H THR 29 H THR 29 -4.920 -13.913 5.421 226 HA THR 29 HA THR 29 -5.647 -12.015 3.462 227 HB THR 29 HB THR 29 -5.886 -11.496 5.831 228 HG1 THR 29 HG1 THR 29 -4.785 -9.375 5.746 229 HG21 THR 29 HG21 THR 29 -3.891 -12.617 6.701 230 HG22 THR 29 HG22 THR 29 -3.965 -10.936 7.229 231 HG23 THR 29 HG23 THR 29 -2.870 -11.402 5.927 232 H PHE 30 H PHE 30 -2.487 -13.125 4.610 233 HA PHE 30 HA PHE 30 -0.897 -11.351 3.132 234 HB2 PHE 30 HB2 PHE 30 -0.124 -12.847 4.995 235 HB3 PHE 30 HB3 PHE 30 -0.236 -14.207 3.888 236 HD1 PHE 30 HD1 PHE 30 1.416 -10.898 4.280 237 HD2 PHE 30 HD2 PHE 30 1.593 -14.806 2.609 238 HE1 PHE 30 HE1 PHE 30 3.720 -10.469 3.531 239 HE2 PHE 30 HE2 PHE 30 3.896 -14.384 1.853 240 HZ PHE 30 HZ PHE 30 4.964 -12.215 2.315 241 H ARG 31 H ARG 31 -2.247 -14.505 2.332 242 HA ARG 31 HA ARG 31 -0.835 -14.807 -0.121 243 HB2 ARG 31 HB2 ARG 31 -1.903 -16.560 1.465 244 HB3 ARG 31 HB3 ARG 31 -3.383 -16.231 0.580 245 HG2 ARG 31 HG2 ARG 31 -2.340 -16.940 -1.483 246 HG3 ARG 31 HG3 ARG 31 -0.807 -17.198 -0.645 247 HD2 ARG 31 HD2 ARG 31 -1.882 -18.875 0.782 248 HD3 ARG 31 HD3 ARG 31 -3.399 -18.628 -0.078 249 HE ARG 31 HE ARG 31 -1.333 -19.329 -1.893 250 HH11 ARG 31 HH11 ARG 31 -3.419 -20.687 0.575 251 HH12 ARG 31 HH12 ARG 31 -3.407 -22.282 -0.109 252 HH21 ARG 31 HH21 ARG 31 -1.299 -21.445 -2.779 253 HH22 ARG 31 HH22 ARG 31 -2.183 -22.716 -1.993 254 H HIS 32 H HIS 32 -3.968 -13.490 0.764 255 HA HIS 32 HA HIS 32 -5.359 -13.588 -1.617 256 HB2 HIS 32 HB2 HIS 32 -5.345 -11.502 0.554 257 HB3 HIS 32 HB3 HIS 32 -6.387 -11.353 -0.853 258 HD1 HIS 32 HD1 HIS 32 -6.685 -14.729 -0.584 259 HD2 HIS 32 HD2 HIS 32 -7.820 -11.668 1.999 260 HE1 HIS 32 HE1 HIS 32 -8.526 -15.683 0.840 261 HE2 HIS 32 HE2 HIS 32 -9.306 -13.766 2.280 262 H HIS 33 H HIS 33 -2.954 -11.190 -0.625 263 HA HIS 33 HA HIS 33 -3.099 -10.046 -3.341 264 HB2 HIS 33 HB2 HIS 33 -3.963 -8.637 -1.380 265 HB3 HIS 33 HB3 HIS 33 -2.284 -8.525 -0.864 266 HD1 HIS 33 HD1 HIS 33 -1.584 -6.213 -1.416 267 HD2 HIS 33 HD2 HIS 33 -3.794 -7.936 -4.483 268 HE1 HIS 33 HE1 HIS 33 -1.523 -4.559 -3.303 269 HE2 HIS 33 HE2 HIS 33 -3.005 -5.542 -5.084 270 H LYS 34 H LYS 34 -1.435 -12.177 -2.083 271 HA LYS 34 HA LYS 34 1.147 -11.297 -1.444 272 HB2 LYS 34 HB2 LYS 34 -0.115 -13.622 -1.223 273 HB3 LYS 34 HB3 LYS 34 0.728 -13.958 -2.727 274 HG2 LYS 34 HG2 LYS 34 2.119 -13.050 -0.221 275 HG3 LYS 34 HG3 LYS 34 1.851 -14.743 -0.625 276 HD2 LYS 34 HD2 LYS 34 3.118 -14.405 -2.721 277 HD3 LYS 34 HD3 LYS 34 3.439 -12.739 -2.226 278 HE2 LYS 34 HE2 LYS 34 4.591 -13.540 -0.235 279 HE3 LYS 34 HE3 LYS 34 4.245 -15.205 -0.689 280 HZ1 LYS 34 HZ1 LYS 34 5.578 -14.883 -2.698 281 HZ2 LYS 34 HZ2 LYS 34 6.487 -14.627 -1.290 282 HZ3 LYS 34 HZ3 LYS 34 5.954 -13.303 -2.208 283 H SER 35 H SER 35 0.245 -13.081 -4.391 284 HA SER 35 HA SER 35 2.670 -12.477 -5.709 285 HB2 SER 35 HB2 SER 35 0.096 -13.327 -7.038 286 HB3 SER 35 HB3 SER 35 1.748 -13.648 -7.568 287 HG SER 35 HG SER 35 0.221 -14.902 -5.616 288 H CYS 36 H CYS 36 -0.495 -11.016 -5.712 289 HA CYS 36 HA CYS 36 -0.421 -9.470 -8.003 290 HB2 CYS 36 HB2 CYS 36 -1.662 -8.810 -5.332 291 HB3 CYS 36 HB3 CYS 36 -2.057 -8.029 -6.854 292 HG CYS 36 HG CYS 36 -2.571 -10.969 -7.705 293 H MET 37 H MET 37 0.518 -8.518 -4.717 294 HA MET 37 HA MET 37 1.216 -5.884 -5.226 295 HB2 MET 37 HB2 MET 37 1.334 -7.631 -3.046 296 HB3 MET 37 HB3 MET 37 2.987 -7.082 -3.270 297 HG2 MET 37 HG2 MET 37 0.577 -5.312 -2.919 298 HG3 MET 37 HG3 MET 37 1.773 -5.691 -1.682 299 HE1 MET 37 HE1 MET 37 2.472 -1.915 -2.505 300 HE2 MET 37 HE2 MET 37 1.991 -3.076 -1.266 301 HE3 MET 37 HE3 MET 37 0.889 -2.686 -2.586 302 H ARG 38 H ARG 38 3.144 -8.811 -5.610 303 HA ARG 38 HA ARG 38 5.596 -7.401 -6.114 304 HB2 ARG 38 HB2 ARG 38 5.367 -9.761 -5.200 305 HB3 ARG 38 HB3 ARG 38 4.966 -10.260 -6.831 306 HG2 ARG 38 HG2 ARG 38 7.132 -9.402 -7.612 307 HG3 ARG 38 HG3 ARG 38 7.544 -8.979 -5.948 308 HD2 ARG 38 HD2 ARG 38 7.361 -11.318 -5.301 309 HD3 ARG 38 HD3 ARG 38 6.902 -11.751 -6.947 310 HE ARG 38 HE ARG 38 9.287 -10.534 -7.295 311 HH11 ARG 38 HH11 ARG 38 8.218 -13.089 -5.163 312 HH12 ARG 38 HH12 ARG 38 9.747 -13.909 -5.151 313 HH21 ARG 38 HH21 ARG 38 11.325 -11.600 -7.283 314 HH22 ARG 38 HH22 ARG 38 11.516 -13.061 -6.348 315 H LYS 39 H LYS 39 3.325 -9.256 -8.074 316 HA LYS 39 HA LYS 39 4.621 -9.016 -10.523 317 HB2 LYS 39 HB2 LYS 39 2.763 -10.592 -9.735 318 HB3 LYS 39 HB3 LYS 39 1.646 -9.288 -10.099 319 HG2 LYS 39 HG2 LYS 39 3.523 -10.472 -12.118 320 HG3 LYS 39 HG3 LYS 39 1.877 -11.045 -11.855 321 HD2 LYS 39 HD2 LYS 39 2.657 -8.245 -12.643 322 HD3 LYS 39 HD3 LYS 39 2.026 -9.482 -13.716 323 HE2 LYS 39 HE2 LYS 39 -0.051 -9.554 -12.431 324 HE3 LYS 39 HE3 LYS 39 0.589 -8.327 -11.339 325 HZ1 LYS 39 HZ1 LYS 39 -0.863 -7.321 -12.952 326 HZ2 LYS 39 HZ2 LYS 39 0.031 -7.980 -14.235 327 HZ3 LYS 39 HZ3 LYS 39 0.728 -6.802 -13.234 328 H PHE 40 H PHE 40 2.314 -6.935 -8.885 329 HA PHE 40 HA PHE 40 1.536 -5.416 -11.135 330 HB2 PHE 40 HB2 PHE 40 0.307 -5.625 -8.946 331 HB3 PHE 40 HB3 PHE 40 1.492 -4.530 -8.251 332 HD1 PHE 40 HD1 PHE 40 -0.999 -4.786 -10.990 333 HD2 PHE 40 HD2 PHE 40 1.154 -2.237 -8.347 334 HE1 PHE 40 HE1 PHE 40 -2.344 -2.871 -11.748 335 HE2 PHE 40 HE2 PHE 40 -0.186 -0.318 -9.102 336 HZ PHE 40 HZ PHE 40 -1.935 -0.633 -10.800 337 H LYS 41 H LYS 41 4.406 -5.358 -9.289 338 HA LYS 41 HA LYS 41 4.955 -2.570 -9.615 339 HB2 LYS 41 HB2 LYS 41 5.917 -3.864 -7.728 340 HB3 LYS 41 HB3 LYS 41 6.892 -4.774 -8.879 341 HG2 LYS 41 HG2 LYS 41 7.882 -2.604 -9.626 342 HG3 LYS 41 HG3 LYS 41 7.038 -1.829 -8.289 343 HD2 LYS 41 HD2 LYS 41 8.246 -3.239 -6.704 344 HD3 LYS 41 HD3 LYS 41 9.084 -4.031 -8.042 345 HE2 LYS 41 HE2 LYS 41 10.032 -1.860 -8.706 346 HE3 LYS 41 HE3 LYS 41 9.227 -1.104 -7.334 347 HZ1 LYS 41 HZ1 LYS 41 11.371 -3.153 -7.234 348 HZ2 LYS 41 HZ2 LYS 41 10.506 -2.619 -5.875 349 HZ3 LYS 41 HZ3 LYS 41 11.469 -1.535 -6.743 350 H GLU 42 H GLU 42 4.565 -2.457 -11.856 351 HA GLU 42 HA GLU 42 6.393 -3.587 -13.738 352 HB2 GLU 42 HB2 GLU 42 4.528 -1.218 -13.996 353 HB3 GLU 42 HB3 GLU 42 5.372 -1.994 -15.328 354 HG2 GLU 42 HG2 GLU 42 3.318 -3.292 -13.555 355 HG3 GLU 42 HG3 GLU 42 3.046 -2.702 -15.195 356 H TYR 43 H TYR 43 6.800 -1.293 -11.416 357 HA TYR 43 HA TYR 43 8.511 0.087 -10.860 358 HB2 TYR 43 HB2 TYR 43 9.804 -1.831 -12.033 359 HB3 TYR 43 HB3 TYR 43 9.977 -0.697 -13.368 360 HD1 TYR 43 HD1 TYR 43 10.473 -0.820 -9.666 361 HD2 TYR 43 HD2 TYR 43 11.897 0.616 -13.410 362 HE1 TYR 43 HE1 TYR 43 12.437 0.140 -8.544 363 HE2 TYR 43 HE2 TYR 43 13.867 1.584 -12.295 364 HH TYR 43 HH TYR 43 14.526 2.357 -10.013 365 H CYS 44 H CYS 44 6.332 0.812 -12.823 366 HA CYS 44 HA CYS 44 7.338 2.755 -14.606 367 HB2 CYS 44 HB2 CYS 44 4.593 2.602 -13.342 368 HB3 CYS 44 HB3 CYS 44 5.022 3.524 -14.779 369 HG CYS 44 HG CYS 44 5.873 0.963 -16.035 370 H GLU 45 H GLU 45 6.506 2.844 -11.211 371 HA GLU 45 HA GLU 45 7.515 5.569 -11.065 372 HB2 GLU 45 HB2 GLU 45 5.012 5.654 -11.357 373 HB3 GLU 45 HB3 GLU 45 4.871 4.816 -9.819 374 HG2 GLU 45 HG2 GLU 45 4.568 7.248 -9.628 375 HG3 GLU 45 HG3 GLU 45 5.913 6.641 -8.659 376 H GLY 46 H GLY 46 8.562 6.019 -9.202 377 HA2 GLY 46 HA2 GLY 46 8.406 4.057 -7.006 378 HA3 GLY 46 HA3 GLY 46 9.966 4.570 -7.640 379 H LEU 47 H LEU 47 6.948 6.174 -6.696 380 HA LEU 47 HA LEU 47 8.286 8.491 -5.766 381 HB2 LEU 47 HB2 LEU 47 6.159 9.333 -5.148 382 HB3 LEU 47 HB3 LEU 47 5.975 8.487 -6.664 383 HG LEU 47 HG LEU 47 4.045 8.014 -5.444 384 HD11 LEU 47 HD11 LEU 47 4.910 6.023 -6.483 385 HD12 LEU 47 HD12 LEU 47 4.082 5.623 -4.979 386 HD13 LEU 47 HD13 LEU 47 5.844 5.645 -5.036 387 HD21 LEU 47 HD21 LEU 47 4.705 8.785 -3.264 388 HD22 LEU 47 HD22 LEU 47 5.728 7.364 -3.043 389 HD23 LEU 47 HD23 LEU 47 3.976 7.183 -3.149 390 H GLN 48 H GLN 48 7.963 9.373 -3.530 391 HA GLN 48 HA GLN 48 8.859 7.291 -1.673 392 HB2 GLN 48 HB2 GLN 48 9.281 10.278 -1.636 393 HB3 GLN 48 HB3 GLN 48 9.896 9.159 -0.440 394 HG2 GLN 48 HG2 GLN 48 10.616 9.147 -3.358 395 HG3 GLN 48 HG3 GLN 48 11.608 9.808 -2.059 396 HE21 GLN 48 HE21 GLN 48 12.120 7.630 -3.980 397 HE22 GLN 48 HE22 GLN 48 12.498 6.245 -3.014 398 H PHE 49 H PHE 49 8.359 7.816 0.688 399 HA PHE 49 HA PHE 49 5.504 7.615 0.765 400 HB2 PHE 49 HB2 PHE 49 7.677 7.246 2.789 401 HB3 PHE 49 HB3 PHE 49 5.990 7.299 3.295 402 HD1 PHE 49 HD1 PHE 49 4.441 5.552 2.646 403 HD2 PHE 49 HD2 PHE 49 8.530 5.406 1.480 404 HE1 PHE 49 HE1 PHE 49 4.173 3.189 2.022 405 HE2 PHE 49 HE2 PHE 49 8.271 3.042 0.856 406 HZ PHE 49 HZ PHE 49 6.089 1.929 1.127 407 H HIS 50 H HIS 50 7.701 10.200 1.397 408 HA HIS 50 HA HIS 50 5.840 11.660 3.037 409 HB2 HIS 50 HB2 HIS 50 8.346 12.026 3.060 410 HB3 HIS 50 HB3 HIS 50 8.169 12.808 1.494 411 HD1 HIS 50 HD1 HIS 50 7.377 15.210 1.468 412 HD2 HIS 50 HD2 HIS 50 7.108 13.442 5.225 413 HE1 HIS 50 HE1 HIS 50 6.851 17.082 3.067 414 HE2 HIS 50 HE2 HIS 50 6.832 16.009 5.351 415 H GLU 51 H GLU 51 6.236 11.023 -0.277 416 HA GLU 51 HA GLU 51 4.678 13.330 -1.149 417 HB2 GLU 51 HB2 GLU 51 5.612 10.998 -2.829 418 HB3 GLU 51 HB3 GLU 51 5.141 12.601 -3.381 419 HG2 GLU 51 HG2 GLU 51 7.114 13.538 -2.231 420 HG3 GLU 51 HG3 GLU 51 7.595 11.901 -1.788 421 H LEU 52 H LEU 52 4.158 10.325 0.121 422 HA LEU 52 HA LEU 52 1.916 9.446 -1.424 423 HB2 LEU 52 HB2 LEU 52 3.561 8.093 0.070 424 HB3 LEU 52 HB3 LEU 52 2.544 8.602 1.400 425 HG LEU 52 HG LEU 52 2.092 6.301 0.513 426 HD11 LEU 52 HD11 LEU 52 -0.209 8.232 0.348 427 HD12 LEU 52 HD12 LEU 52 0.437 7.523 1.826 428 HD13 LEU 52 HD13 LEU 52 -0.319 6.491 0.614 429 HD21 LEU 52 HD21 LEU 52 2.425 6.739 -1.847 430 HD22 LEU 52 HD22 LEU 52 1.041 7.831 -1.859 431 HD23 LEU 52 HD23 LEU 52 0.802 6.108 -1.564 432 H THR 53 H THR 53 0.431 11.105 -1.488 433 HA THR 53 HA THR 53 -0.768 11.912 1.080 434 HB THR 53 HB THR 53 -1.235 14.127 -0.075 435 HG1 THR 53 HG1 THR 53 0.951 13.598 -1.749 436 HG21 THR 53 HG21 THR 53 0.482 13.934 1.641 437 HG22 THR 53 HG22 THR 53 1.031 15.010 0.355 438 HG23 THR 53 HG23 THR 53 1.643 13.357 0.445 439 H GLU 54 H GLU 54 -2.957 13.042 0.641 440 HA GLU 54 HA GLU 54 -4.815 11.268 -0.376 441 HB2 GLU 54 HB2 GLU 54 -5.179 14.271 -0.306 442 HB3 GLU 54 HB3 GLU 54 -6.434 13.050 -0.242 443 HG2 GLU 54 HG2 GLU 54 -6.242 13.852 1.938 444 HG3 GLU 54 HG3 GLU 54 -5.403 12.302 1.946 445 H ASP 55 H ASP 55 -3.317 14.057 -1.909 446 HA ASP 55 HA ASP 55 -4.708 14.087 -4.312 447 HB2 ASP 55 HB2 ASP 55 -3.318 15.938 -3.793 448 HB3 ASP 55 HB3 ASP 55 -1.898 14.916 -3.606 449 H PHE 56 H PHE 56 -1.678 12.415 -3.494 450 HA PHE 56 HA PHE 56 -1.280 11.274 -6.029 451 HB2 PHE 56 HB2 PHE 56 0.472 11.388 -4.254 452 HB3 PHE 56 HB3 PHE 56 -0.390 10.128 -3.373 453 HD1 PHE 56 HD2 PHE 56 1.518 10.885 -6.423 454 HD2 PHE 56 HD1 PHE 56 -0.242 7.833 -4.029 455 HE1 PHE 56 HE2 PHE 56 2.711 9.177 -7.728 456 HE2 PHE 56 HE1 PHE 56 0.951 6.122 -5.333 457 HZ PHE 56 HZ PHE 56 2.430 6.792 -7.183 458 H LEU 57 H LEU 57 -2.852 9.986 -3.110 459 HA LEU 57 HA LEU 57 -3.501 7.464 -4.099 460 HB2 LEU 57 HB2 LEU 57 -4.614 9.230 -1.976 461 HB3 LEU 57 HB3 LEU 57 -5.544 7.825 -2.452 462 HG LEU 57 HG LEU 57 -4.074 7.499 -0.455 463 HD11 LEU 57 HD11 LEU 57 -3.476 5.747 -2.830 464 HD12 LEU 57 HD12 LEU 57 -4.888 5.617 -1.782 465 HD13 LEU 57 HD13 LEU 57 -3.278 5.305 -1.134 466 HD21 LEU 57 HD21 LEU 57 -2.162 8.815 -1.202 467 HD22 LEU 57 HD22 LEU 57 -1.865 7.653 -2.494 468 HD23 LEU 57 HD23 LEU 57 -1.693 7.162 -0.809 469 H ARG 58 H ARG 58 -5.324 10.499 -4.279 470 HA ARG 58 HA ARG 58 -7.625 9.415 -5.481 471 HB2 ARG 58 HB2 ARG 58 -7.655 11.590 -4.407 472 HB3 ARG 58 HB3 ARG 58 -6.493 12.219 -5.564 473 HG2 ARG 58 HG2 ARG 58 -9.065 11.146 -6.599 474 HG3 ARG 58 HG3 ARG 58 -9.071 12.710 -5.781 475 HD2 ARG 58 HD2 ARG 58 -7.432 13.573 -7.322 476 HD3 ARG 58 HD3 ARG 58 -7.251 11.989 -8.071 477 HE ARG 58 HE ARG 58 -9.947 12.857 -8.228 478 HH11 ARG 58 HH11 ARG 58 -6.779 13.521 -9.539 479 HH12 ARG 58 HH12 ARG 58 -7.365 13.970 -11.109 480 HH21 ARG 58 HH21 ARG 58 -10.749 13.487 -10.290 481 HH22 ARG 58 HH22 ARG 58 -9.634 13.970 -11.537 482 H ASP 59 H ASP 59 -4.732 10.916 -6.923 483 HA ASP 59 HA ASP 59 -5.729 10.658 -9.591 484 HB2 ASP 59 HB2 ASP 59 -4.069 12.378 -8.956 485 HB3 ASP 59 HB3 ASP 59 -2.886 11.108 -8.659 486 H TYR 60 H TYR 60 -3.563 8.763 -7.560 487 HA TYR 60 HA TYR 60 -2.647 7.039 -9.613 488 HB2 TYR 60 HB2 TYR 60 -1.497 7.385 -7.409 489 HB3 TYR 60 HB3 TYR 60 -2.775 6.444 -6.649 490 HD1 TYR 60 HD2 TYR 60 -0.090 6.249 -9.216 491 HD2 TYR 60 HD1 TYR 60 -2.637 4.103 -6.566 492 HE1 TYR 60 HE2 TYR 60 1.151 4.183 -9.705 493 HE2 TYR 60 HE1 TYR 60 -1.401 2.031 -7.047 494 HH TYR 60 HH TYR 60 1.586 1.992 -8.597 495 H LEU 61 H LEU 61 -5.384 6.963 -7.419 496 HA LEU 61 HA LEU 61 -6.331 4.389 -7.849 497 HB2 LEU 61 HB2 LEU 61 -7.363 5.886 -6.249 498 HB3 LEU 61 HB3 LEU 61 -7.846 6.980 -7.528 499 HG LEU 61 HG LEU 61 -9.328 5.189 -8.427 500 HD11 LEU 61 HD11 LEU 61 -9.876 3.295 -7.010 501 HD12 LEU 61 HD12 LEU 61 -8.666 3.804 -5.834 502 HD13 LEU 61 HD13 LEU 61 -8.166 3.274 -7.441 503 HD21 LEU 61 HD21 LEU 61 -10.227 6.968 -7.037 504 HD22 LEU 61 HD22 LEU 61 -9.836 6.051 -5.581 505 HD23 LEU 61 HD23 LEU 61 -11.054 5.445 -6.705 506 H ILE 62 H ILE 62 -7.016 7.337 -9.675 507 HA ILE 62 HA ILE 62 -8.561 6.069 -11.690 508 HB ILE 62 HB ILE 62 -7.037 8.675 -11.869 509 HG12 ILE 62 HG12 ILE 62 -8.608 8.661 -9.987 510 HG13 ILE 62 HG13 ILE 62 -9.165 9.743 -11.259 511 HG21 ILE 62 HG21 ILE 62 -8.674 9.252 -13.624 512 HG22 ILE 62 HG22 ILE 62 -9.328 7.617 -13.527 513 HG23 ILE 62 HG23 ILE 62 -7.668 7.872 -14.065 514 HD11 ILE 62 HD11 ILE 62 -10.732 8.023 -12.016 515 HD12 ILE 62 HD12 ILE 62 -11.010 8.485 -10.337 516 HD13 ILE 62 HD13 ILE 62 -10.190 6.968 -10.710 517 H TYR 63 H TYR 63 -5.186 7.137 -11.572 518 HA TYR 63 HA TYR 63 -4.387 6.453 -14.141 519 HB2 TYR 63 HB2 TYR 63 -3.044 7.767 -12.541 520 HB3 TYR 63 HB3 TYR 63 -2.772 6.318 -11.584 521 HD1 TYR 63 HD2 TYR 63 -2.076 7.917 -14.845 522 HD2 TYR 63 HD1 TYR 63 -1.031 4.801 -12.140 523 HE1 TYR 63 HE2 TYR 63 -0.062 7.446 -16.172 524 HE2 TYR 63 HE1 TYR 63 0.987 4.325 -13.463 525 HH TYR 63 HH TYR 63 2.133 6.442 -15.874 526 H MET 64 H MET 64 -4.437 4.475 -11.212 527 HA MET 64 HA MET 64 -3.186 2.197 -12.308 528 HB2 MET 64 HB2 MET 64 -3.262 2.530 -9.936 529 HB3 MET 64 HB3 MET 64 -5.012 2.556 -9.936 530 HG2 MET 64 HG2 MET 64 -5.158 0.249 -10.322 531 HG3 MET 64 HG3 MET 64 -3.461 0.140 -10.788 532 HE1 MET 64 HE1 MET 64 -5.678 1.382 -7.707 533 HE2 MET 64 HE2 MET 64 -4.294 2.463 -7.860 534 HE3 MET 64 HE3 MET 64 -4.422 1.392 -6.467 535 H LYS 65 H LYS 65 -6.619 2.978 -11.823 536 HA LYS 65 HA LYS 65 -7.450 0.466 -12.899 537 HB2 LYS 65 HB2 LYS 65 -9.633 1.066 -12.454 538 HB3 LYS 65 HB3 LYS 65 -8.711 1.886 -11.202 539 HG2 LYS 65 HG2 LYS 65 -9.053 3.956 -12.117 540 HG3 LYS 65 HG3 LYS 65 -9.348 3.308 -13.733 541 HD2 LYS 65 HD2 LYS 65 -11.409 2.193 -12.566 542 HD3 LYS 65 HD3 LYS 65 -11.183 3.505 -11.399 543 HE2 LYS 65 HE2 LYS 65 -11.075 5.038 -13.383 544 HE3 LYS 65 HE3 LYS 65 -11.674 3.698 -14.349 545 HZ1 LYS 65 HZ1 LYS 65 -13.096 4.700 -11.946 546 HZ2 LYS 65 HZ2 LYS 65 -13.671 3.624 -13.127 547 HZ3 LYS 65 HZ3 LYS 65 -13.424 5.256 -13.518 548 H LYS 66 H LYS 66 -6.887 3.619 -14.258 549 HA LYS 66 HA LYS 66 -8.314 2.904 -16.704 550 HB2 LYS 66 HB2 LYS 66 -8.652 5.149 -15.823 551 HB3 LYS 66 HB3 LYS 66 -6.923 5.458 -15.882 552 HG2 LYS 66 HG2 LYS 66 -7.043 5.134 -18.364 553 HG3 LYS 66 HG3 LYS 66 -8.801 5.092 -18.200 554 HD2 LYS 66 HD2 LYS 66 -8.766 7.324 -17.208 555 HD3 LYS 66 HD3 LYS 66 -7.008 7.366 -17.350 556 HE2 LYS 66 HE2 LYS 66 -7.255 7.117 -19.810 557 HE3 LYS 66 HE3 LYS 66 -9.003 7.224 -19.605 558 HZ1 LYS 66 HZ1 LYS 66 -8.214 9.362 -20.196 559 HZ2 LYS 66 HZ2 LYS 66 -6.991 9.324 -19.023 560 HZ3 LYS 66 HZ3 LYS 66 -8.615 9.436 -18.549 561 H THR 67 H THR 67 -5.093 4.273 -15.971 562 HA THR 67 HA THR 67 -4.171 3.793 -18.620 563 HB THR 67 HB THR 67 -2.450 4.431 -16.226 564 HG1 THR 67 HG1 THR 67 -2.963 6.690 -17.139 565 HG21 THR 67 HG21 THR 67 -1.095 5.625 -17.882 566 HG22 THR 67 HG22 THR 67 -2.224 5.154 -19.152 567 HG23 THR 67 HG23 THR 67 -1.272 3.926 -18.318 568 H LEU 68 H LEU 68 -3.887 2.091 -15.563 569 HA LEU 68 HA LEU 68 -1.983 0.205 -16.740 570 HB2 LEU 68 HB2 LEU 68 -3.034 0.380 -13.914 571 HB3 LEU 68 HB3 LEU 68 -1.778 -0.709 -14.473 572 HG LEU 68 HG LEU 68 -1.583 2.305 -14.428 573 HD11 LEU 68 HD11 LEU 68 -1.561 1.337 -12.191 574 HD12 LEU 68 HD12 LEU 68 0.029 1.964 -12.629 575 HD13 LEU 68 HD13 LEU 68 -0.278 0.229 -12.676 576 HD21 LEU 68 HD21 LEU 68 0.455 0.198 -15.139 577 HD22 LEU 68 HD22 LEU 68 0.786 1.922 -14.967 578 HD23 LEU 68 HD23 LEU 68 -0.287 1.352 -16.246 579 H CYS 69 H CYS 69 -5.214 0.593 -16.645 580 HA CYS 69 HA CYS 69 -6.997 -0.700 -17.138 581 HB2 CYS 69 HB2 CYS 69 -5.545 -1.547 -18.931 582 HB3 CYS 69 HB3 CYS 69 -4.915 -2.777 -17.843 583 HG CYS 69 HG CYS 69 -6.729 -4.538 -18.273 584 H ASN 70 H ASN 70 -7.664 -0.707 -14.960 585 HA ASN 70 HA ASN 70 -7.770 -3.397 -13.841 586 HB2 ASN 70 HB2 ASN 70 -6.770 -1.008 -12.272 587 HB3 ASN 70 HB3 ASN 70 -7.384 -2.464 -11.509 588 HD21 ASN 70 HD21 ASN 70 -4.772 -1.024 -13.244 589 HD22 ASN 70 HD22 ASN 70 -3.661 -2.337 -13.067 590 H ALA 71 H ALA 71 -9.274 -3.218 -11.761 591 HA ALA 71 HA ALA 71 -11.530 -1.472 -12.489 592 HB1 ALA 71 HB1 ALA 71 -12.013 -3.863 -12.772 593 HB2 ALA 71 HB2 ALA 71 -13.003 -3.145 -11.501 594 HB3 ALA 71 HB3 ALA 71 -11.608 -4.137 -11.078 595 H ASP 72 H ASP 72 -13.010 -1.168 -10.447 596 HA ASP 72 HA ASP 72 -11.598 0.460 -8.664 597 HB2 ASP 72 HB2 ASP 72 -14.351 -0.764 -8.376 598 HB3 ASP 72 HB3 ASP 72 -13.706 0.485 -7.318 599 H SER 73 H SER 73 -12.976 -2.783 -8.190 600 HA SER 73 HA SER 73 -12.237 -3.118 -5.520 601 HB2 SER 73 HB2 SER 73 -13.801 -4.629 -6.604 602 HB3 SER 73 HB3 SER 73 -12.551 -5.182 -7.716 603 HG SER 73 HG SER 73 -12.758 -6.682 -6.079 604 H THR 74 H THR 74 -10.493 -4.078 -8.474 605 HA THR 74 HA THR 74 -8.259 -5.223 -7.284 606 HB THR 74 HB THR 74 -8.108 -3.582 -9.815 607 HG1 THR 74 HG1 THR 74 -8.663 -5.963 -10.586 608 HG21 THR 74 HG21 THR 74 -6.007 -4.524 -9.011 609 HG22 THR 74 HG22 THR 74 -6.523 -5.349 -10.481 610 HG23 THR 74 HG23 THR 74 -6.743 -6.123 -8.911 611 H ALA 75 H ALA 75 -8.848 -1.859 -8.216 612 HA ALA 75 HA ALA 75 -6.302 -0.855 -7.564 613 HB1 ALA 75 HB1 ALA 75 -8.954 0.581 -7.621 614 HB2 ALA 75 HB2 ALA 75 -7.886 0.320 -9.002 615 HB3 ALA 75 HB3 ALA 75 -7.362 1.339 -7.661 616 H GLN 76 H GLN 76 -9.315 -0.963 -5.667 617 HA GLN 76 HA GLN 76 -8.351 0.443 -3.445 618 HB2 GLN 76 HB2 GLN 76 -10.593 -1.517 -3.849 619 HB3 GLN 76 HB3 GLN 76 -10.279 -0.783 -2.292 620 HG2 GLN 76 HG2 GLN 76 -10.812 0.769 -4.807 621 HG3 GLN 76 HG3 GLN 76 -12.046 0.343 -3.624 622 HE21 GLN 76 HE21 GLN 76 -12.490 2.529 -3.244 623 HE22 GLN 76 HE22 GLN 76 -11.423 3.525 -2.317 624 H ARG 77 H ARG 77 -8.375 -3.014 -4.207 625 HA ARG 77 HA ARG 77 -7.428 -3.890 -1.684 626 HB2 ARG 77 HB2 ARG 77 -7.176 -5.196 -4.395 627 HB3 ARG 77 HB3 ARG 77 -6.886 -5.989 -2.853 628 HG2 ARG 77 HG2 ARG 77 -9.199 -5.670 -2.215 629 HG3 ARG 77 HG3 ARG 77 -9.511 -4.796 -3.715 630 HD2 ARG 77 HD2 ARG 77 -8.908 -6.799 -4.988 631 HD3 ARG 77 HD3 ARG 77 -8.649 -7.665 -3.476 632 HE ARG 77 HE ARG 77 -11.251 -6.647 -4.442 633 HH11 ARG 77 HH11 ARG 77 -9.399 -8.833 -2.407 634 HH12 ARG 77 HH12 ARG 77 -10.785 -9.788 -1.962 635 HH21 ARG 77 HH21 ARG 77 -13.059 -7.905 -3.856 636 HH22 ARG 77 HH22 ARG 77 -12.864 -9.260 -2.790 637 H ASN 78 H ASN 78 -5.817 -2.908 -4.642 638 HA ASN 78 HA ASN 78 -3.178 -3.487 -3.858 639 HB2 ASN 78 HB2 ASN 78 -4.246 -1.368 -5.726 640 HB3 ASN 78 HB3 ASN 78 -2.529 -1.666 -5.490 641 HD21 ASN 78 HD21 ASN 78 -3.957 -1.871 -7.931 642 HD22 ASN 78 HD22 ASN 78 -3.852 -3.515 -8.458 643 H LEU 79 H LEU 79 -5.059 -0.508 -3.549 644 HA LEU 79 HA LEU 79 -2.974 0.981 -2.342 645 HB2 LEU 79 HB2 LEU 79 -5.949 1.435 -2.417 646 HB3 LEU 79 HB3 LEU 79 -4.799 2.595 -1.782 647 HG LEU 79 HG LEU 79 -4.871 1.603 -4.635 648 HD11 LEU 79 HD11 LEU 79 -5.658 3.849 -5.174 649 HD12 LEU 79 HD12 LEU 79 -5.700 4.252 -3.458 650 HD13 LEU 79 HD13 LEU 79 -6.786 3.020 -4.101 651 HD21 LEU 79 HD21 LEU 79 -2.623 2.191 -3.869 652 HD22 LEU 79 HD22 LEU 79 -3.216 3.766 -3.344 653 HD23 LEU 79 HD23 LEU 79 -3.228 3.346 -5.057 654 H SER 80 H SER 80 -5.576 -0.974 -1.000 655 HA SER 80 HA SER 80 -5.401 0.024 1.636 656 HB2 SER 80 HB2 SER 80 -6.566 -2.176 2.218 657 HB3 SER 80 HB3 SER 80 -7.394 -1.115 1.081 658 HG SER 80 HG SER 80 -6.972 -2.461 -0.538 659 H THR 81 H THR 81 -3.378 -2.154 -0.106 660 HA THR 81 HA THR 81 -2.199 -3.387 2.205 661 HB THR 81 HB THR 81 -1.024 -3.094 -0.568 662 HG1 THR 81 HG1 THR 81 -3.201 -4.367 0.131 663 HG21 THR 81 HG21 THR 81 -0.442 -5.035 1.674 664 HG22 THR 81 HG22 THR 81 0.627 -3.760 1.091 665 HG23 THR 81 HG23 THR 81 0.239 -5.126 0.046 666 H ILE 82 H ILE 82 -1.644 -0.497 0.318 667 HA ILE 82 HA ILE 82 0.959 0.079 1.310 668 HB ILE 82 HB ILE 82 -1.057 2.011 0.147 669 HG12 ILE 82 HG12 ILE 82 1.111 0.442 -1.270 670 HG13 ILE 82 HG13 ILE 82 -0.606 0.057 -1.333 671 HG21 ILE 82 HG21 ILE 82 1.950 2.159 0.355 672 HG22 ILE 82 HG22 ILE 82 0.794 3.103 1.296 673 HG23 ILE 82 HG23 ILE 82 0.915 3.340 -0.449 674 HD11 ILE 82 HD11 ILE 82 0.085 1.242 -3.324 675 HD12 ILE 82 HD12 ILE 82 0.685 2.578 -2.342 676 HD13 ILE 82 HD13 ILE 82 -1.040 2.222 -2.384 677 H LYS 83 H LYS 83 -2.312 1.080 2.236 678 HA LYS 83 HA LYS 83 -1.600 3.047 4.086 679 HB2 LYS 83 HB2 LYS 83 -3.853 2.889 4.922 680 HB3 LYS 83 HB3 LYS 83 -3.866 2.797 3.174 681 HG2 LYS 83 HG2 LYS 83 -5.361 1.167 3.657 682 HG3 LYS 83 HG3 LYS 83 -3.882 0.205 3.657 683 HD2 LYS 83 HD2 LYS 83 -3.759 0.436 6.105 684 HD3 LYS 83 HD3 LYS 83 -5.258 1.366 6.084 685 HE2 LYS 83 HE2 LYS 83 -6.423 -0.574 5.112 686 HE3 LYS 83 HE3 LYS 83 -4.922 -1.500 5.197 687 HZ1 LYS 83 HZ1 LYS 83 -4.940 -1.183 7.613 688 HZ2 LYS 83 HZ2 LYS 83 -6.320 -2.004 7.076 689 HZ3 LYS 83 HZ3 LYS 83 -6.422 -0.365 7.500 690 H ILE 84 H ILE 84 -1.630 -0.429 4.416 691 HA ILE 84 HA ILE 84 -1.599 -0.562 7.226 692 HB ILE 84 HB ILE 84 -0.151 -2.387 5.288 693 HG12 ILE 84 HG12 ILE 84 -2.935 -2.629 6.451 694 HG13 ILE 84 HG13 ILE 84 -2.569 -2.157 4.795 695 HG21 ILE 84 HG21 ILE 84 -1.084 -2.886 8.112 696 HG22 ILE 84 HG22 ILE 84 0.586 -2.618 7.611 697 HG23 ILE 84 HG23 ILE 84 -0.283 -4.049 7.055 698 HD11 ILE 84 HD11 ILE 84 -1.544 -4.334 4.402 699 HD12 ILE 84 HD12 ILE 84 -3.225 -4.481 4.912 700 HD13 ILE 84 HD13 ILE 84 -1.924 -4.807 6.057 701 H TYR 85 H TYR 85 1.101 -0.320 4.886 702 HA TYR 85 HA TYR 85 3.039 -0.054 6.975 703 HB2 TYR 85 HB2 TYR 85 3.693 -0.896 4.744 704 HB3 TYR 85 HB3 TYR 85 3.348 0.692 4.057 705 HD1 TYR 85 HD1 TYR 85 5.433 -0.999 6.624 706 HD2 TYR 85 HD2 TYR 85 5.028 2.347 4.030 707 HE1 TYR 85 HE1 TYR 85 7.687 -0.251 7.250 708 HE2 TYR 85 HE2 TYR 85 7.288 3.102 4.645 709 HH TYR 85 HH TYR 85 8.861 2.849 6.492 710 H VAL 86 H VAL 86 1.302 2.232 4.886 711 HA VAL 86 HA VAL 86 2.600 4.580 5.660 712 HB VAL 86 HB VAL 86 -0.276 4.105 4.868 713 HG11 VAL 86 HG11 VAL 86 -0.221 6.124 6.206 714 HG12 VAL 86 HG12 VAL 86 -0.443 6.536 4.505 715 HG13 VAL 86 HG13 VAL 86 1.136 6.740 5.263 716 HG21 VAL 86 HG21 VAL 86 1.372 3.652 3.140 717 HG22 VAL 86 HG22 VAL 86 2.081 5.250 3.374 718 HG23 VAL 86 HG23 VAL 86 0.442 5.098 2.743 719 H SER 87 H SER 87 -0.151 2.935 7.099 720 HA SER 87 HA SER 87 -0.603 4.660 9.253 721 HB2 SER 87 HB2 SER 87 -1.337 1.915 8.444 722 HB3 SER 87 HB3 SER 87 -1.490 2.260 10.169 723 HG SER 87 HG SER 87 -2.545 4.006 8.207 724 H ALA 88 H ALA 88 1.591 1.911 8.882 725 HA ALA 88 HA ALA 88 2.480 1.945 11.606 726 HB1 ALA 88 HB1 ALA 88 2.616 -0.075 10.229 727 HB2 ALA 88 HB2 ALA 88 4.198 0.386 10.852 728 HB3 ALA 88 HB3 ALA 88 3.780 0.725 9.173 729 H ALA 89 H ALA 89 3.443 3.518 8.648 730 HA ALA 89 HA ALA 89 6.004 4.400 9.442 731 HB1 ALA 89 HB1 ALA 89 4.159 5.671 7.427 732 HB2 ALA 89 HB2 ALA 89 5.249 4.325 7.094 733 HB3 ALA 89 HB3 ALA 89 5.904 5.897 7.549 734 H ILE 90 H ILE 90 2.833 5.527 10.130 735 HA ILE 90 HA ILE 90 3.639 8.105 11.053 736 HB ILE 90 HB ILE 90 1.138 6.512 11.668 737 HG12 ILE 90 HG12 ILE 90 1.578 8.751 9.680 738 HG13 ILE 90 HG13 ILE 90 1.496 7.042 9.263 739 HG21 ILE 90 HG21 ILE 90 1.713 9.445 12.096 740 HG22 ILE 90 HG22 ILE 90 1.529 8.224 13.356 741 HG23 ILE 90 HG23 ILE 90 0.154 8.656 12.340 742 HD11 ILE 90 HD11 ILE 90 -0.810 6.975 10.107 743 HD12 ILE 90 HD12 ILE 90 -0.602 8.123 8.786 744 HD13 ILE 90 HD13 ILE 90 -0.717 8.703 10.448 745 H LYS 91 H LYS 91 3.469 4.908 12.385 746 HA LYS 91 HA LYS 91 3.572 5.732 15.144 747 HB2 LYS 91 HB2 LYS 91 3.938 3.032 13.838 748 HB3 LYS 91 HB3 LYS 91 3.919 3.299 15.576 749 HG2 LYS 91 HG2 LYS 91 1.645 3.851 13.677 750 HG3 LYS 91 HG3 LYS 91 1.772 2.481 14.784 751 HD2 LYS 91 HD2 LYS 91 1.867 4.098 16.673 752 HD3 LYS 91 HD3 LYS 91 1.572 5.398 15.518 753 HE2 LYS 91 HE2 LYS 91 -0.548 4.314 14.881 754 HE3 LYS 91 HE3 LYS 91 -0.262 3.073 16.101 755 HZ1 LYS 91 HZ1 LYS 91 -1.732 4.755 16.963 756 HZ2 LYS 91 HZ2 LYS 91 -0.618 5.979 16.593 757 HZ3 LYS 91 HZ3 LYS 91 -0.252 4.833 17.791 758 H LYS 92 H LYS 92 5.836 4.285 12.825 759 HA LYS 92 HA LYS 92 8.014 5.623 14.154 760 HB2 LYS 92 HB2 LYS 92 9.344 3.517 14.284 761 HB3 LYS 92 HB3 LYS 92 8.031 3.617 15.437 762 HG2 LYS 92 HG2 LYS 92 6.719 2.080 14.157 763 HG3 LYS 92 HG3 LYS 92 7.892 2.105 12.837 764 HD2 LYS 92 HD2 LYS 92 9.582 1.172 14.394 765 HD3 LYS 92 HD3 LYS 92 8.332 1.056 15.630 766 HE2 LYS 92 HE2 LYS 92 7.065 -0.478 14.227 767 HE3 LYS 92 HE3 LYS 92 8.282 -0.340 12.956 768 HZ1 LYS 92 HZ1 LYS 92 8.589 -2.347 14.288 769 HZ2 LYS 92 HZ2 LYS 92 8.763 -1.406 15.687 770 HZ3 LYS 92 HZ3 LYS 92 9.914 -1.300 14.447 771 H GLY 93 H GLY 93 7.491 6.575 11.937 772 HA2 GLY 93 HA2 GLY 93 9.436 5.399 10.085 773 HA3 GLY 93 HA3 GLY 93 7.808 5.694 9.491 774 H TYR 94 H TYR 94 7.079 7.831 9.264 775 HA TYR 94 HA TYR 94 8.814 10.055 9.705 776 HB2 TYR 94 HB2 TYR 94 9.778 8.797 7.682 777 HB3 TYR 94 HB3 TYR 94 8.365 9.361 6.807 778 HD1 TYR 94 HD2 TYR 94 11.425 10.452 8.570 779 HD2 TYR 94 HD1 TYR 94 8.196 11.618 6.054 780 HE1 TYR 94 HE2 TYR 94 12.553 12.588 8.117 781 HE2 TYR 94 HE1 TYR 94 9.320 13.755 5.596 782 HH TYR 94 HH TYR 94 11.008 15.223 6.719 783 H MET 95 H MET 95 5.961 8.640 8.290 784 HA MET 95 HA MET 95 4.757 11.148 7.585 785 HB2 MET 95 HB2 MET 95 3.578 8.372 7.782 786 HB3 MET 95 HB3 MET 95 2.773 9.771 7.099 787 HG2 MET 95 HG2 MET 95 4.535 9.916 5.382 788 HG3 MET 95 HG3 MET 95 5.262 8.454 6.045 789 HE1 MET 95 HE1 MET 95 2.313 10.023 4.076 790 HE2 MET 95 HE2 MET 95 1.440 9.398 5.474 791 HE3 MET 95 HE3 MET 95 1.192 8.676 3.883 792 H GLU 96 H GLU 96 2.861 12.016 8.565 793 HA GLU 96 HA GLU 96 2.535 11.214 11.384 794 HB2 GLU 96 HB2 GLU 96 3.733 13.416 10.981 795 HB3 GLU 96 HB3 GLU 96 2.219 14.024 10.329 796 HG2 GLU 96 HG2 GLU 96 1.120 13.649 12.456 797 HG3 GLU 96 HG3 GLU 96 2.602 12.961 13.121 798 H ASN 97 H ASN 97 1.021 12.653 8.543 799 HA ASN 97 HA ASN 97 -1.590 11.777 9.606 800 HB2 ASN 97 HB2 ASN 97 -0.999 14.101 7.758 801 HB3 ASN 97 HB3 ASN 97 -2.615 13.532 8.159 802 HD21 ASN 97 HD21 ASN 97 -1.528 16.140 8.616 803 HD22 ASN 97 HD22 ASN 97 -1.589 16.407 10.328 804 H ASP 98 H ASP 98 -2.515 10.180 8.511 805 HA ASP 98 HA ASP 98 -1.326 9.207 6.088 806 HB2 ASP 98 HB2 ASP 98 -3.185 7.501 6.269 807 HB3 ASP 98 HB3 ASP 98 -2.074 7.549 7.626 808 HA PRO 99 HA PRO 99 -3.832 11.276 3.132 809 HB2 PRO 99 HB2 PRO 99 -4.142 9.289 1.271 810 HB3 PRO 99 HB3 PRO 99 -2.667 10.236 1.464 811 HG2 PRO 99 HG2 PRO 99 -3.321 7.515 2.527 812 HG3 PRO 99 HG3 PRO 99 -1.825 8.088 1.765 813 HD2 PRO 99 HD2 PRO 99 -2.022 7.841 4.417 814 HD3 PRO 99 HD3 PRO 99 -1.119 9.184 3.684 815 H PHE 100 H PHE 100 -4.925 8.327 4.575 816 HA PHE 100 HA PHE 100 -7.562 8.444 3.408 817 HB2 PHE 100 HB2 PHE 100 -6.300 6.647 5.471 818 HB3 PHE 100 HB3 PHE 100 -7.991 6.526 5.001 819 HD1 PHE 100 HD2 PHE 100 -4.521 6.168 3.834 820 HD2 PHE 100 HD1 PHE 100 -8.629 5.531 2.928 821 HE1 PHE 100 HE2 PHE 100 -3.878 4.744 1.935 822 HE2 PHE 100 HE1 PHE 100 -7.993 4.106 1.026 823 HZ PHE 100 HZ PHE 100 -5.613 3.713 0.527 824 H LYS 101 H LYS 101 -6.088 10.142 5.782 825 HA LYS 101 HA LYS 101 -7.892 10.357 7.856 826 HB2 LYS 101 HB2 LYS 101 -5.539 11.417 7.363 827 HB3 LYS 101 HB3 LYS 101 -6.488 12.744 6.717 828 HG2 LYS 101 HG2 LYS 101 -6.772 11.676 9.506 829 HG3 LYS 101 HG3 LYS 101 -5.742 13.035 9.060 830 HD2 LYS 101 HD2 LYS 101 -8.718 12.887 8.640 831 HD3 LYS 101 HD3 LYS 101 -7.902 13.735 9.940 832 HE2 LYS 101 HE2 LYS 101 -6.687 15.058 8.167 833 HE3 LYS 101 HE3 LYS 101 -7.796 14.339 7.001 834 HZ1 LYS 101 HZ1 LYS 101 -9.555 15.248 8.714 835 HZ2 LYS 101 HZ2 LYS 101 -8.921 16.232 7.487 836 HZ3 LYS 101 HZ3 LYS 101 -8.307 16.344 9.064 837 H ASP 102 H ASP 102 -7.726 12.198 4.824 838 HA ASP 102 HA ASP 102 -10.375 13.317 5.363 839 HB2 ASP 102 HB2 ASP 102 -8.596 14.908 4.758 840 HB3 ASP 102 HB3 ASP 102 -8.352 14.053 3.239 841 H PHE 103 H PHE 103 -8.744 11.059 3.388 842 HA PHE 103 HA PHE 103 -10.669 11.040 1.264 843 HB2 PHE 103 HB2 PHE 103 -8.253 10.425 0.958 844 HB3 PHE 103 HB3 PHE 103 -8.559 8.958 1.879 845 HD1 PHE 103 HD2 PHE 103 -9.692 10.797 -1.149 846 HD2 PHE 103 HD1 PHE 103 -9.236 7.030 0.780 847 HE1 PHE 103 HE2 PHE 103 -10.369 9.656 -3.222 848 HE2 PHE 103 HE1 PHE 103 -9.909 5.885 -1.287 849 HZ PHE 103 HZ PHE 103 -10.476 7.195 -3.292 850 H GLY 104 H GLY 104 -12.513 10.811 2.687 851 HA2 GLY 104 HA2 GLY 104 -13.833 8.468 2.406 852 HA3 GLY 104 HA3 GLY 104 -13.012 8.287 3.954 853 H LEU 105 H LEU 105 -14.214 8.771 5.595 854 HA LEU 105 HA LEU 105 -15.873 9.584 6.903 855 HB2 LEU 105 HB2 LEU 105 -15.330 12.108 5.339 856 HB3 LEU 105 HB3 LEU 105 -16.239 12.023 6.835 857 HG LEU 105 HG LEU 105 -13.317 11.316 6.536 858 HD11 LEU 105 HD11 LEU 105 -12.905 13.358 7.809 859 HD12 LEU 105 HD12 LEU 105 -14.633 13.715 7.803 860 HD13 LEU 105 HD13 LEU 105 -13.729 13.712 6.289 861 HD21 LEU 105 HD21 LEU 105 -13.319 11.189 8.970 862 HD22 LEU 105 HD22 LEU 105 -14.451 10.025 8.279 863 HD23 LEU 105 HD23 LEU 105 -15.051 11.521 8.995 864 H GLU 106 H GLU 106 -17.416 8.183 5.932 865 HA GLU 106 HA GLU 106 -19.198 9.427 3.968 866 HB2 GLU 106 HB2 GLU 106 -20.200 6.929 4.245 867 HB3 GLU 106 HB3 GLU 106 -18.959 7.365 3.084 868 HG2 GLU 106 HG2 GLU 106 -18.421 5.306 4.272 869 HG3 GLU 106 HG3 GLU 106 -17.232 6.568 4.587 870 H HIS 107 H HIS 107 -19.259 10.446 6.568 871 HA HIS 107 HA HIS 107 -22.057 9.986 7.197 872 HB2 HIS 107 HB2 HIS 107 -19.804 9.409 9.084 873 HB3 HIS 107 HB3 HIS 107 -21.308 10.066 9.723 874 HD1 HIS 107 HD1 HIS 107 -19.751 6.949 9.328 875 HD2 HIS 107 HD2 HIS 107 -23.587 8.345 8.521 876 HE1 HIS 107 HE1 HIS 107 -21.221 4.916 9.296 877 HE2 HIS 107 HE2 HIS 107 -23.510 5.763 8.672 878 H HIS 108 H HIS 108 -22.947 11.640 8.573 879 HA HIS 108 HA HIS 108 -23.266 13.725 9.376 880 HB2 HIS 108 HB2 HIS 108 -21.221 13.428 10.663 881 HB3 HIS 108 HB3 HIS 108 -20.253 13.926 9.282 882 HD1 HIS 108 HD1 HIS 108 -19.817 16.384 9.004 883 HD2 HIS 108 HD2 HIS 108 -22.776 15.590 11.825 884 HE1 HIS 108 HE1 HIS 108 -20.315 18.586 10.109 885 HE2 HIS 108 HE2 HIS 108 -21.961 18.048 11.939 886 H HIS 109 H HIS 109 -24.399 14.542 7.678 887 HA HIS 109 HA HIS 109 -22.928 16.650 6.314 888 HB2 HIS 109 HB2 HIS 109 -24.216 16.247 4.178 889 HB3 HIS 109 HB3 HIS 109 -22.939 15.100 4.538 890 HD1 HIS 109 HD1 HIS 109 -23.636 12.928 3.683 891 HD2 HIS 109 HD2 HIS 109 -26.810 14.937 5.463 892 HE1 HIS 109 HE1 HIS 109 -25.598 11.366 3.525 893 HE2 HIS 109 HE2 HIS 109 -27.556 12.707 4.375 894 H HIS 110 H HIS 110 -24.313 17.141 8.468 895 HA HIS 110 HA HIS 110 -26.662 18.556 7.407 896 HB2 HIS 110 HB2 HIS 110 -26.254 17.256 10.078 897 HB3 HIS 110 HB3 HIS 110 -27.307 18.660 9.948 898 HD1 HIS 110 HD1 HIS 110 -29.635 18.282 9.079 899 HD2 HIS 110 HD2 HIS 110 -27.162 14.978 8.563 900 HE1 HIS 110 HE1 HIS 110 -31.142 16.418 8.325 901 HE2 HIS 110 HE2 HIS 110 -29.656 14.383 8.214 902 H HIS 111 H HIS 111 -24.831 20.016 6.774 903 HA HIS 111 HA HIS 111 -23.835 21.625 9.008 904 HB2 HIS 111 HB2 HIS 111 -22.353 20.866 7.063 905 HB3 HIS 111 HB3 HIS 111 -23.222 22.042 6.084 906 HD1 HIS 111 HD1 HIS 111 -22.717 24.542 6.498 907 HD2 HIS 111 HD2 HIS 111 -20.582 21.941 8.945 908 HE1 HIS 111 HE1 HIS 111 -20.893 25.928 7.538 909 HE2 HIS 111 HE2 HIS 111 -19.501 24.286 8.859 910 H HIS 112 H HIS 112 -25.448 22.871 9.695 911 HA HIS 112 HA HIS 112 -27.112 24.294 7.766 912 HB2 HIS 112 HB2 HIS 112 -28.212 23.137 9.648 913 HB3 HIS 112 HB3 HIS 112 -27.299 24.116 10.787 914 HD1 HIS 112 HD1 HIS 112 -28.543 26.037 11.667 915 HD2 HIS 112 HD2 HIS 112 -29.889 24.925 7.893 916 HE1 HIS 112 HE1 HIS 112 -30.516 27.526 11.182 917 HE2 HIS 112 HE2 HIS 112 -31.427 26.698 8.983 Start of MODEL 14 1 H1 MET 1 H1 MET 1 23.399 -2.560 13.419 2 H2 MET 1 H2 MET 1 22.904 -1.441 12.242 3 H3 MET 1 H3 MET 1 23.677 -0.909 13.646 4 HA MET 1 HA MET 1 25.151 -0.881 11.722 5 HB2 MET 1 HB2 MET 1 26.041 -1.171 14.007 6 HB3 MET 1 HB3 MET 1 25.888 -2.914 13.837 7 HG2 MET 1 HG2 MET 1 27.484 -2.833 11.953 8 HG3 MET 1 HG3 MET 1 27.686 -1.105 12.240 9 HE1 MET 1 HE1 MET 1 28.941 -4.404 15.217 10 HE2 MET 1 HE2 MET 1 28.310 -4.730 13.604 11 HE3 MET 1 HE3 MET 1 27.258 -4.038 14.838 12 H ASN 2 H ASN 2 24.147 -4.165 12.663 13 HA ASN 2 HA ASN 2 25.608 -5.488 10.644 14 HB2 ASN 2 HB2 ASN 2 23.169 -6.403 12.177 15 HB3 ASN 2 HB3 ASN 2 24.177 -7.443 11.179 16 HD21 ASN 2 HD21 ASN 2 23.604 -7.636 14.006 17 HD22 ASN 2 HD22 ASN 2 25.128 -7.561 14.818 18 H ASN 3 H ASN 3 22.076 -4.963 10.855 19 HA ASN 3 HA ASN 3 22.037 -4.839 7.929 20 HB2 ASN 3 HB2 ASN 3 20.499 -6.731 9.650 21 HB3 ASN 3 HB3 ASN 3 19.740 -6.109 8.187 22 HD21 ASN 3 HD21 ASN 3 22.185 -8.168 9.493 23 HD22 ASN 3 HD22 ASN 3 22.662 -8.895 7.991 24 HA PRO 4 HA PRO 4 19.513 -1.332 9.379 25 HB2 PRO 4 HB2 PRO 4 20.785 0.151 7.253 26 HB3 PRO 4 HB3 PRO 4 20.904 0.414 8.992 27 HG2 PRO 4 HG2 PRO 4 22.980 -0.447 7.422 28 HG3 PRO 4 HG3 PRO 4 22.847 -0.765 9.161 29 HD2 PRO 4 HD2 PRO 4 22.227 -2.560 6.854 30 HD3 PRO 4 HD3 PRO 4 22.983 -2.947 8.415 31 H SER 5 H SER 5 18.613 0.380 7.411 32 HA SER 5 HA SER 5 16.817 -1.323 5.961 33 HB2 SER 5 HB2 SER 5 17.205 1.674 5.750 34 HB3 SER 5 HB3 SER 5 15.822 0.754 5.154 35 HG SER 5 HG SER 5 15.589 0.066 7.445 36 H ASP 6 H ASP 6 18.059 -2.533 4.592 37 HA ASP 6 HA ASP 6 19.589 -1.136 2.508 38 HB2 ASP 6 HB2 ASP 6 20.482 -3.106 3.962 39 HB3 ASP 6 HB3 ASP 6 19.531 -4.111 2.878 40 H PHE 7 H PHE 7 16.614 -1.679 2.890 41 HA PHE 7 HA PHE 7 15.774 -3.413 0.837 42 HB2 PHE 7 HB2 PHE 7 14.251 -1.159 2.154 43 HB3 PHE 7 HB3 PHE 7 13.571 -2.529 1.291 44 HD1 PHE 7 HD2 PHE 7 13.920 -4.847 2.222 45 HD2 PHE 7 HD1 PHE 7 14.744 -1.307 4.433 46 HE1 PHE 7 HE2 PHE 7 13.879 -6.146 4.309 47 HE2 PHE 7 HE1 PHE 7 14.709 -2.600 6.523 48 HZ PHE 7 HZ PHE 7 14.276 -5.023 6.464 49 H LYS 8 H LYS 8 14.965 -2.954 -1.148 50 HA LYS 8 HA LYS 8 16.336 -1.112 -2.707 51 HB2 LYS 8 HB2 LYS 8 13.719 -2.522 -3.229 52 HB3 LYS 8 HB3 LYS 8 14.587 -1.600 -4.443 53 HG2 LYS 8 HG2 LYS 8 16.512 -3.113 -4.182 54 HG3 LYS 8 HG3 LYS 8 15.584 -4.058 -3.020 55 HD2 LYS 8 HD2 LYS 8 14.545 -3.539 -5.787 56 HD3 LYS 8 HD3 LYS 8 15.669 -4.857 -5.471 57 HE2 LYS 8 HE2 LYS 8 13.464 -5.755 -5.399 58 HE3 LYS 8 HE3 LYS 8 14.068 -5.701 -3.746 59 HZ1 LYS 8 HZ1 LYS 8 12.166 -3.784 -4.997 60 HZ2 LYS 8 HZ2 LYS 8 12.800 -3.639 -3.438 61 HZ3 LYS 8 HZ3 LYS 8 11.801 -4.948 -3.817 62 H SER 9 H SER 9 13.049 -0.865 -1.381 63 HA SER 9 HA SER 9 13.076 2.001 -1.567 64 HB2 SER 9 HB2 SER 9 11.237 2.209 -3.167 65 HB3 SER 9 HB3 SER 9 12.574 1.337 -3.919 66 HG SER 9 HG SER 9 11.359 -0.378 -4.100 67 H PHE 10 H PHE 10 10.450 2.595 -1.366 68 HA PHE 10 HA PHE 10 9.637 1.795 1.171 69 HB2 PHE 10 HB2 PHE 10 7.480 2.813 0.637 70 HB3 PHE 10 HB3 PHE 10 8.782 3.829 0.055 71 HD1 PHE 10 HD2 PHE 10 9.385 3.659 -2.431 72 HD2 PHE 10 HD1 PHE 10 5.779 2.138 -0.770 73 HE1 PHE 10 HE2 PHE 10 8.358 3.668 -4.665 74 HE2 PHE 10 HE1 PHE 10 4.744 2.145 -3.000 75 HZ PHE 10 HZ PHE 10 6.034 2.911 -4.951 76 H HIS 11 H HIS 11 8.903 0.484 -2.016 77 HA HIS 11 HA HIS 11 6.835 -1.274 -1.261 78 HB2 HIS 11 HB2 HIS 11 7.175 -0.752 -3.588 79 HB3 HIS 11 HB3 HIS 11 8.814 -1.387 -3.545 80 HD1 HIS 11 HD1 HIS 11 9.057 -3.678 -4.447 81 HD2 HIS 11 HD2 HIS 11 5.200 -2.949 -3.057 82 HE1 HIS 11 HE1 HIS 11 7.750 -5.757 -4.951 83 HE2 HIS 11 HE2 HIS 11 5.379 -5.190 -4.332 84 H ASP 12 H ASP 12 10.317 -1.593 -1.304 85 HA ASP 12 HA ASP 12 10.308 -4.404 -0.709 86 HB2 ASP 12 HB2 ASP 12 12.113 -3.033 -1.939 87 HB3 ASP 12 HB3 ASP 12 12.637 -2.530 -0.336 88 H PHE 13 H PHE 13 10.605 -1.392 1.050 89 HA PHE 13 HA PHE 13 11.215 -2.501 3.584 90 HB2 PHE 13 HB2 PHE 13 11.445 -0.070 2.885 91 HB3 PHE 13 HB3 PHE 13 9.701 0.067 3.079 92 HD1 PHE 13 HD1 PHE 13 8.695 -0.313 5.356 93 HD2 PHE 13 HD2 PHE 13 12.890 0.043 4.726 94 HE1 PHE 13 HE1 PHE 13 9.009 0.179 7.746 95 HE2 PHE 13 HE2 PHE 13 13.210 0.533 7.116 96 HZ PHE 13 HZ PHE 13 11.268 0.600 8.628 97 H VAL 14 H VAL 14 8.190 -1.728 1.925 98 HA VAL 14 HA VAL 14 6.356 -2.266 3.935 99 HB VAL 14 HB VAL 14 6.133 -2.790 0.963 100 HG11 VAL 14 HG11 VAL 14 4.569 -4.245 2.154 101 HG12 VAL 14 HG12 VAL 14 3.715 -2.966 1.294 102 HG13 VAL 14 HG13 VAL 14 3.941 -2.856 3.038 103 HG21 VAL 14 HG21 VAL 14 6.387 -0.442 1.617 104 HG22 VAL 14 HG22 VAL 14 5.002 -0.595 2.696 105 HG23 VAL 14 HG23 VAL 14 4.786 -0.763 0.955 106 H ALA 15 H ALA 15 7.966 -4.514 1.716 107 HA ALA 15 HA ALA 15 6.636 -6.852 2.485 108 HB1 ALA 15 HB1 ALA 15 9.482 -6.561 1.531 109 HB2 ALA 15 HB2 ALA 15 8.057 -6.708 0.502 110 HB3 ALA 15 HB3 ALA 15 8.537 -8.050 1.540 111 H SER 16 H SER 16 9.326 -5.147 3.950 112 HA SER 16 HA SER 16 10.108 -7.200 5.738 113 HB2 SER 16 HB2 SER 16 11.562 -5.293 5.128 114 HB3 SER 16 HB3 SER 16 10.476 -4.204 5.989 115 HG SER 16 HG SER 16 11.363 -6.363 7.463 116 H TYR 17 H TYR 17 7.961 -4.372 6.105 117 HA TYR 17 HA TYR 17 7.344 -5.058 8.831 118 HB2 TYR 17 HB2 TYR 17 7.332 -2.702 7.984 119 HB3 TYR 17 HB3 TYR 17 5.895 -3.095 7.042 120 HD1 TYR 17 HD1 TYR 17 7.221 -2.674 10.459 121 HD2 TYR 17 HD2 TYR 17 3.742 -3.267 8.086 122 HE1 TYR 17 HE1 TYR 17 5.809 -2.168 12.410 123 HE2 TYR 17 HE2 TYR 17 2.324 -2.760 10.026 124 HH TYR 17 HH TYR 17 3.510 -1.366 12.864 125 H MET 18 H MET 18 5.903 -5.575 5.690 126 HA MET 18 HA MET 18 3.341 -6.388 6.454 127 HB2 MET 18 HB2 MET 18 3.920 -5.957 4.129 128 HB3 MET 18 HB3 MET 18 5.042 -7.308 4.129 129 HG2 MET 18 HG2 MET 18 3.320 -8.888 4.180 130 HG3 MET 18 HG3 MET 18 2.124 -7.694 4.680 131 HE1 MET 18 HE1 MET 18 1.705 -5.562 1.407 132 HE2 MET 18 HE2 MET 18 2.807 -5.255 2.751 133 HE3 MET 18 HE3 MET 18 1.156 -5.790 3.068 134 H LYS 19 H LYS 19 6.389 -8.046 6.463 135 HA LYS 19 HA LYS 19 5.726 -10.690 6.826 136 HB2 LYS 19 HB2 LYS 19 8.010 -9.737 6.643 137 HB3 LYS 19 HB3 LYS 19 7.862 -9.112 8.274 138 HG2 LYS 19 HG2 LYS 19 7.616 -12.047 7.727 139 HG3 LYS 19 HG3 LYS 19 9.195 -11.272 7.883 140 HD2 LYS 19 HD2 LYS 19 8.424 -10.381 10.100 141 HD3 LYS 19 HD3 LYS 19 6.995 -11.407 9.936 142 HE2 LYS 19 HE2 LYS 19 8.524 -12.624 11.249 143 HE3 LYS 19 HE3 LYS 19 8.586 -13.347 9.644 144 HZ1 LYS 19 HZ1 LYS 19 10.802 -13.065 10.523 145 HZ2 LYS 19 HZ2 LYS 19 10.540 -11.406 10.761 146 HZ3 LYS 19 HZ3 LYS 19 10.588 -12.038 9.192 147 H THR 20 H THR 20 5.454 -8.037 9.122 148 HA THR 20 HA THR 20 5.165 -9.615 11.446 149 HB THR 20 HB THR 20 4.190 -6.795 10.962 150 HG1 THR 20 HG1 THR 20 6.481 -7.113 12.412 151 HG21 THR 20 HG21 THR 20 4.390 -6.558 13.397 152 HG22 THR 20 HG22 THR 20 4.827 -8.262 13.528 153 HG23 THR 20 HG23 THR 20 3.217 -7.804 12.970 154 H TYR 21 H TYR 21 2.629 -7.871 9.549 155 HA TYR 21 HA TYR 21 0.600 -9.026 11.204 156 HB2 TYR 21 HB2 TYR 21 -0.922 -7.653 10.113 157 HB3 TYR 21 HB3 TYR 21 0.560 -6.724 10.034 158 HD1 TYR 21 HD1 TYR 21 -1.914 -8.618 8.119 159 HD2 TYR 21 HD2 TYR 21 1.689 -6.367 7.894 160 HE1 TYR 21 HE1 TYR 21 -2.189 -8.434 5.683 161 HE2 TYR 21 HE2 TYR 21 1.421 -6.178 5.459 162 HH TYR 21 HH TYR 21 0.297 -7.370 3.636 163 H SER 22 H SER 22 2.143 -9.932 8.257 164 HA SER 22 HA SER 22 0.077 -11.557 7.183 165 HB2 SER 22 HB2 SER 22 3.073 -11.759 6.783 166 HB3 SER 22 HB3 SER 22 1.847 -12.542 5.786 167 HG SER 22 HG SER 22 2.474 -9.807 6.025 168 H ARG 23 H ARG 23 1.987 -11.879 9.908 169 HA ARG 23 HA ARG 23 2.488 -14.589 10.171 170 HB2 ARG 23 HB2 ARG 23 3.138 -12.699 11.725 171 HB3 ARG 23 HB3 ARG 23 1.508 -12.776 12.375 172 HG2 ARG 23 HG2 ARG 23 1.914 -15.114 13.036 173 HG3 ARG 23 HG3 ARG 23 3.574 -14.960 12.455 174 HD2 ARG 23 HD2 ARG 23 3.989 -13.175 14.042 175 HD3 ARG 23 HD3 ARG 23 2.318 -13.247 14.593 176 HE ARG 23 HE ARG 23 3.156 -15.749 15.056 177 HH11 ARG 23 HH11 ARG 23 4.487 -12.615 15.844 178 HH12 ARG 23 HH12 ARG 23 5.377 -13.185 17.228 179 HH21 ARG 23 HH21 ARG 23 4.271 -16.516 16.898 180 HH22 ARG 23 HH22 ARG 23 5.225 -15.408 17.842 181 H ARG 24 H ARG 24 -0.521 -12.811 10.542 182 HA ARG 24 HA ARG 24 -1.875 -15.342 11.198 183 HB2 ARG 24 HB2 ARG 24 -2.575 -12.502 11.942 184 HB3 ARG 24 HB3 ARG 24 -3.675 -13.857 12.170 185 HG2 ARG 24 HG2 ARG 24 -2.021 -14.939 13.627 186 HG3 ARG 24 HG3 ARG 24 -0.949 -13.553 13.420 187 HD2 ARG 24 HD2 ARG 24 -3.741 -13.344 14.522 188 HD3 ARG 24 HD3 ARG 24 -2.317 -13.577 15.532 189 HE ARG 24 HE ARG 24 -1.718 -11.379 14.028 190 HH11 ARG 24 HH11 ARG 24 -4.385 -12.255 16.105 191 HH12 ARG 24 HH12 ARG 24 -4.680 -10.629 16.638 192 HH21 ARG 24 HH21 ARG 24 -2.054 -9.248 14.752 193 HH22 ARG 24 HH22 ARG 24 -3.330 -8.913 15.890 194 H LEU 25 H LEU 25 -1.172 -13.972 8.571 195 HA LEU 25 HA LEU 25 -3.853 -13.597 7.461 196 HB2 LEU 25 HB2 LEU 25 -1.788 -12.065 6.990 197 HB3 LEU 25 HB3 LEU 25 -1.307 -13.339 5.899 198 HG LEU 25 HG LEU 25 -3.435 -13.058 4.673 199 HD11 LEU 25 HD11 LEU 25 -3.807 -10.668 6.477 200 HD12 LEU 25 HD12 LEU 25 -4.758 -12.150 6.538 201 HD13 LEU 25 HD13 LEU 25 -4.828 -11.116 5.111 202 HD21 LEU 25 HD21 LEU 25 -1.400 -11.920 3.938 203 HD22 LEU 25 HD22 LEU 25 -1.787 -10.547 4.974 204 HD23 LEU 25 HD23 LEU 25 -2.830 -10.943 3.609 205 H GLU 26 H GLU 26 -4.786 -15.137 6.255 206 HA GLU 26 HA GLU 26 -3.753 -17.712 6.019 207 HB2 GLU 26 HB2 GLU 26 -5.598 -18.130 4.496 208 HB3 GLU 26 HB3 GLU 26 -6.149 -17.192 5.872 209 HG2 GLU 26 HG2 GLU 26 -6.057 -15.173 4.524 210 HG3 GLU 26 HG3 GLU 26 -5.502 -16.108 3.144 211 H ILE 27 H ILE 27 -2.951 -18.838 4.248 212 HA ILE 27 HA ILE 27 -0.948 -17.477 2.811 213 HB ILE 27 HB ILE 27 -2.086 -20.238 2.361 214 HG12 ILE 27 HG12 ILE 27 -1.137 -19.946 4.587 215 HG13 ILE 27 HG13 ILE 27 -0.106 -20.993 3.619 216 HG21 ILE 27 HG21 ILE 27 -0.937 -19.476 0.361 217 HG22 ILE 27 HG22 ILE 27 0.007 -20.724 1.173 218 HG23 ILE 27 HG23 ILE 27 0.475 -19.030 1.320 219 HD11 ILE 27 HD11 ILE 27 1.208 -19.441 4.943 220 HD12 ILE 27 HD12 ILE 27 0.378 -18.076 4.193 221 HD13 ILE 27 HD13 ILE 27 1.413 -19.124 3.217 222 H GLY 28 H GLY 28 -4.220 -18.406 2.021 223 HA2 GLY 28 HA2 GLY 28 -4.187 -18.175 -0.748 224 HA3 GLY 28 HA3 GLY 28 -5.589 -17.873 0.266 225 H THR 29 H THR 29 -5.148 -15.625 1.575 226 HA THR 29 HA THR 29 -5.316 -13.701 -0.536 227 HB THR 29 HB THR 29 -6.757 -13.655 1.526 228 HG1 THR 29 HG1 THR 29 -6.829 -11.814 0.363 229 HG21 THR 29 HG21 THR 29 -5.065 -14.054 3.220 230 HG22 THR 29 HG22 THR 29 -5.873 -12.514 3.511 231 HG23 THR 29 HG23 THR 29 -4.260 -12.542 2.799 232 H PHE 30 H PHE 30 -2.939 -14.454 1.984 233 HA PHE 30 HA PHE 30 -1.180 -12.346 1.687 234 HB2 PHE 30 HB2 PHE 30 -0.865 -14.032 3.384 235 HB3 PHE 30 HB3 PHE 30 -0.637 -15.281 2.166 236 HD1 PHE 30 HD1 PHE 30 0.851 -12.051 3.281 237 HD2 PHE 30 HD2 PHE 30 1.491 -15.909 1.610 238 HE1 PHE 30 HE1 PHE 30 3.280 -11.677 3.357 239 HE2 PHE 30 HE2 PHE 30 3.922 -15.541 1.681 240 HZ PHE 30 HZ PHE 30 4.820 -13.424 2.556 241 H ARG 31 H ARG 31 -1.299 -15.359 -0.197 242 HA ARG 31 HA ARG 31 0.797 -14.570 -1.979 243 HB2 ARG 31 HB2 ARG 31 -0.058 -16.937 -1.325 244 HB3 ARG 31 HB3 ARG 31 -1.260 -16.670 -2.578 245 HG2 ARG 31 HG2 ARG 31 0.505 -16.374 -4.227 246 HG3 ARG 31 HG3 ARG 31 1.724 -16.614 -2.971 247 HD2 ARG 31 HD2 ARG 31 0.894 -18.860 -2.566 248 HD3 ARG 31 HD3 ARG 31 -0.378 -18.627 -3.763 249 HE ARG 31 HE ARG 31 2.473 -18.537 -4.514 250 HH11 ARG 31 HH11 ARG 31 -0.793 -19.754 -4.924 251 HH12 ARG 31 HH12 ARG 31 -0.385 -20.764 -6.286 252 HH21 ARG 31 HH21 ARG 31 3.014 -19.874 -6.304 253 HH22 ARG 31 HH22 ARG 31 1.776 -20.820 -7.067 254 H HIS 32 H HIS 32 -2.651 -14.259 -1.878 255 HA HIS 32 HA HIS 32 -3.154 -13.875 -4.630 256 HB2 HIS 32 HB2 HIS 32 -4.846 -14.541 -2.922 257 HB3 HIS 32 HB3 HIS 32 -4.783 -12.912 -2.268 258 HD1 HIS 32 HD1 HIS 32 -5.516 -14.515 -5.659 259 HD2 HIS 32 HD2 HIS 32 -6.773 -11.384 -3.224 260 HE1 HIS 32 HE1 HIS 32 -7.459 -13.464 -6.853 261 HE2 HIS 32 HE2 HIS 32 -8.374 -11.782 -5.219 262 H HIS 33 H HIS 33 -1.670 -11.809 -2.355 263 HA HIS 33 HA HIS 33 -2.225 -9.531 -4.132 264 HB2 HIS 33 HB2 HIS 33 -1.787 -8.003 -2.317 265 HB3 HIS 33 HB3 HIS 33 -3.011 -9.158 -1.821 266 HD1 HIS 33 HD1 HIS 33 -2.717 -9.899 0.503 267 HD2 HIS 33 HD2 HIS 33 0.928 -8.947 -1.268 268 HE1 HIS 33 HE1 HIS 33 -0.989 -10.162 2.311 269 HE2 HIS 33 HE2 HIS 33 1.168 -9.383 1.268 270 H LYS 34 H LYS 34 0.008 -11.784 -3.799 271 HA LYS 34 HA LYS 34 2.423 -10.327 -3.488 272 HB2 LYS 34 HB2 LYS 34 1.721 -13.065 -4.465 273 HB3 LYS 34 HB3 LYS 34 3.343 -12.449 -4.722 274 HG2 LYS 34 HG2 LYS 34 1.984 -12.661 -2.047 275 HG3 LYS 34 HG3 LYS 34 3.153 -13.816 -2.692 276 HD2 LYS 34 HD2 LYS 34 4.819 -11.995 -2.833 277 HD3 LYS 34 HD3 LYS 34 3.649 -10.897 -2.100 278 HE2 LYS 34 HE2 LYS 34 3.592 -12.287 -0.094 279 HE3 LYS 34 HE3 LYS 34 4.742 -13.404 -0.832 280 HZ1 LYS 34 HZ1 LYS 34 6.385 -11.656 -0.876 281 HZ2 LYS 34 HZ2 LYS 34 5.813 -11.845 0.704 282 HZ3 LYS 34 HZ3 LYS 34 5.280 -10.542 -0.241 283 H SER 35 H SER 35 0.891 -11.699 -6.404 284 HA SER 35 HA SER 35 2.709 -10.556 -8.223 285 HB2 SER 35 HB2 SER 35 -0.164 -11.367 -8.727 286 HB3 SER 35 HB3 SER 35 1.112 -11.206 -9.935 287 HG SER 35 HG SER 35 2.218 -12.908 -8.924 288 H CYS 36 H CYS 36 -0.154 -9.342 -6.688 289 HA CYS 36 HA CYS 36 -0.657 -7.136 -8.377 290 HB2 CYS 36 HB2 CYS 36 -1.304 -7.639 -5.472 291 HB3 CYS 36 HB3 CYS 36 -1.914 -6.271 -6.389 292 HG CYS 36 HG CYS 36 -2.716 -8.674 -8.278 293 H MET 37 H MET 37 1.104 -7.421 -5.314 294 HA MET 37 HA MET 37 1.938 -4.743 -5.143 295 HB2 MET 37 HB2 MET 37 3.216 -7.255 -4.060 296 HB3 MET 37 HB3 MET 37 3.761 -5.633 -3.660 297 HG2 MET 37 HG2 MET 37 1.595 -5.143 -2.672 298 HG3 MET 37 HG3 MET 37 1.033 -6.764 -3.084 299 HE1 MET 37 HE1 MET 37 4.430 -5.919 -0.068 300 HE2 MET 37 HE2 MET 37 3.501 -4.648 -0.864 301 HE3 MET 37 HE3 MET 37 4.591 -5.666 -1.807 302 H ARG 38 H ARG 38 3.111 -7.349 -7.102 303 HA ARG 38 HA ARG 38 5.806 -6.427 -7.308 304 HB2 ARG 38 HB2 ARG 38 4.922 -8.788 -7.706 305 HB3 ARG 38 HB3 ARG 38 4.441 -8.222 -9.290 306 HG2 ARG 38 HG2 ARG 38 6.600 -9.317 -9.408 307 HG3 ARG 38 HG3 ARG 38 6.749 -7.599 -9.789 308 HD2 ARG 38 HD2 ARG 38 7.234 -7.421 -7.205 309 HD3 ARG 38 HD3 ARG 38 7.686 -9.113 -7.400 310 HE ARG 38 HE ARG 38 8.905 -7.011 -9.068 311 HH11 ARG 38 HH11 ARG 38 9.192 -9.728 -6.882 312 HH12 ARG 38 HH12 ARG 38 10.932 -9.747 -6.918 313 HH21 ARG 38 HH21 ARG 38 11.195 -7.004 -9.119 314 HH22 ARG 38 HH22 ARG 38 12.074 -8.202 -8.207 315 H LYS 39 H LYS 39 2.948 -6.152 -9.345 316 HA LYS 39 HA LYS 39 4.277 -5.308 -11.660 317 HB2 LYS 39 HB2 LYS 39 1.991 -4.449 -12.367 318 HB3 LYS 39 HB3 LYS 39 2.150 -6.157 -12.000 319 HG2 LYS 39 HG2 LYS 39 0.112 -5.466 -11.066 320 HG3 LYS 39 HG3 LYS 39 1.231 -5.645 -9.720 321 HD2 LYS 39 HD2 LYS 39 0.057 -3.651 -9.299 322 HD3 LYS 39 HD3 LYS 39 1.631 -3.142 -9.907 323 HE2 LYS 39 HE2 LYS 39 -0.646 -3.473 -11.810 324 HE3 LYS 39 HE3 LYS 39 -0.571 -2.045 -10.789 325 HZ1 LYS 39 HZ1 LYS 39 0.446 -1.633 -12.926 326 HZ2 LYS 39 HZ2 LYS 39 1.529 -2.916 -12.703 327 HZ3 LYS 39 HZ3 LYS 39 1.613 -1.553 -11.701 328 H PHE 40 H PHE 40 3.905 -3.515 -8.844 329 HA PHE 40 HA PHE 40 3.637 -0.912 -9.874 330 HB2 PHE 40 HB2 PHE 40 3.552 -1.427 -7.449 331 HB3 PHE 40 HB3 PHE 40 5.274 -1.804 -7.483 332 HD1 PHE 40 HD1 PHE 40 2.793 0.894 -7.845 333 HD2 PHE 40 HD2 PHE 40 6.912 -0.089 -7.429 334 HE1 PHE 40 HE1 PHE 40 3.309 3.263 -7.433 335 HE2 PHE 40 HE2 PHE 40 7.437 2.278 -7.014 336 HZ PHE 40 HZ PHE 40 5.634 3.957 -7.016 337 H LYS 41 H LYS 41 6.262 -3.159 -9.720 338 HA LYS 41 HA LYS 41 8.333 -3.249 -10.604 339 HB2 LYS 41 HB2 LYS 41 7.083 -2.772 -12.684 340 HB3 LYS 41 HB3 LYS 41 7.346 -1.054 -12.428 341 HG2 LYS 41 HG2 LYS 41 9.797 -1.477 -12.525 342 HG3 LYS 41 HG3 LYS 41 9.441 -3.149 -12.958 343 HD2 LYS 41 HD2 LYS 41 8.619 -0.694 -14.511 344 HD3 LYS 41 HD3 LYS 41 9.922 -1.805 -14.935 345 HE2 LYS 41 HE2 LYS 41 8.250 -3.629 -15.085 346 HE3 LYS 41 HE3 LYS 41 6.978 -2.443 -14.795 347 HZ1 LYS 41 HZ1 LYS 41 7.298 -2.944 -17.157 348 HZ2 LYS 41 HZ2 LYS 41 8.885 -2.362 -17.069 349 HZ3 LYS 41 HZ3 LYS 41 7.578 -1.307 -16.816 350 H GLU 42 H GLU 42 9.316 -2.475 -8.664 351 HA GLU 42 HA GLU 42 10.622 0.090 -9.169 352 HB2 GLU 42 HB2 GLU 42 11.059 0.077 -6.642 353 HB3 GLU 42 HB3 GLU 42 9.458 0.521 -7.198 354 HG2 GLU 42 HG2 GLU 42 9.018 -0.856 -5.414 355 HG3 GLU 42 HG3 GLU 42 8.887 -1.957 -6.781 356 H TYR 43 H TYR 43 12.856 0.194 -8.750 357 HA TYR 43 HA TYR 43 14.329 -2.229 -8.298 358 HB2 TYR 43 HB2 TYR 43 15.403 -2.114 -10.620 359 HB3 TYR 43 HB3 TYR 43 13.782 -2.790 -10.523 360 HD1 TYR 43 HD1 TYR 43 11.848 -1.496 -11.365 361 HD2 TYR 43 HD2 TYR 43 15.834 -0.075 -11.825 362 HE1 TYR 43 HE1 TYR 43 11.078 0.092 -13.074 363 HE2 TYR 43 HE2 TYR 43 15.072 1.521 -13.535 364 HH TYR 43 HH TYR 43 11.796 2.249 -14.039 365 H CYS 44 H CYS 44 14.316 1.080 -9.473 366 HA CYS 44 HA CYS 44 16.800 1.536 -7.977 367 HB2 CYS 44 HB2 CYS 44 16.006 2.859 -10.587 368 HB3 CYS 44 HB3 CYS 44 17.440 3.240 -9.640 369 HG CYS 44 HG CYS 44 18.042 1.727 -11.997 370 H GLU 45 H GLU 45 16.666 3.117 -6.506 371 HA GLU 45 HA GLU 45 15.780 4.694 -5.142 372 HB2 GLU 45 HB2 GLU 45 14.499 5.719 -7.685 373 HB3 GLU 45 HB3 GLU 45 14.693 6.623 -6.188 374 HG2 GLU 45 HG2 GLU 45 17.114 6.499 -6.416 375 HG3 GLU 45 HG3 GLU 45 16.931 5.572 -7.905 376 H GLY 46 H GLY 46 13.201 6.020 -5.415 377 HA2 GLY 46 HA2 GLY 46 11.139 4.070 -5.586 378 HA3 GLY 46 HA3 GLY 46 11.600 4.346 -3.911 379 H LEU 47 H LEU 47 10.263 5.699 -2.939 380 HA LEU 47 HA LEU 47 9.364 8.097 -4.371 381 HB2 LEU 47 HB2 LEU 47 7.592 6.314 -4.414 382 HB3 LEU 47 HB3 LEU 47 7.568 6.366 -2.662 383 HG LEU 47 HG LEU 47 6.897 8.774 -2.811 384 HD11 LEU 47 HD11 LEU 47 6.005 9.576 -4.948 385 HD12 LEU 47 HD12 LEU 47 6.588 8.111 -5.736 386 HD13 LEU 47 HD13 LEU 47 7.735 9.254 -5.039 387 HD21 LEU 47 HD21 LEU 47 5.250 7.045 -2.392 388 HD22 LEU 47 HD22 LEU 47 5.094 6.743 -4.122 389 HD23 LEU 47 HD23 LEU 47 4.572 8.287 -3.445 390 H GLN 48 H GLN 48 9.232 9.917 -3.070 391 HA GLN 48 HA GLN 48 10.538 9.672 -0.500 392 HB2 GLN 48 HB2 GLN 48 9.813 11.973 -2.263 393 HB3 GLN 48 HB3 GLN 48 10.183 12.261 -0.577 394 HG2 GLN 48 HG2 GLN 48 12.036 12.428 -2.414 395 HG3 GLN 48 HG3 GLN 48 12.390 11.772 -0.819 396 HE21 GLN 48 HE21 GLN 48 11.815 11.001 -4.174 397 HE22 GLN 48 HE22 GLN 48 12.528 9.428 -4.123 398 H PHE 49 H PHE 49 9.615 11.326 1.196 399 HA PHE 49 HA PHE 49 7.201 10.093 2.067 400 HB2 PHE 49 HB2 PHE 49 8.730 12.424 3.234 401 HB3 PHE 49 HB3 PHE 49 7.420 11.565 4.040 402 HD1 PHE 49 HD2 PHE 49 7.732 9.182 4.686 403 HD2 PHE 49 HD1 PHE 49 10.933 11.574 3.214 404 HE1 PHE 49 HE2 PHE 49 9.353 7.574 5.605 405 HE2 PHE 49 HE1 PHE 49 12.558 9.970 4.130 406 HZ PHE 49 HZ PHE 49 11.769 7.968 5.331 407 H HIS 50 H HIS 50 7.987 13.448 1.167 408 HA HIS 50 HA HIS 50 5.256 14.261 1.546 409 HB2 HIS 50 HB2 HIS 50 6.050 16.488 0.680 410 HB3 HIS 50 HB3 HIS 50 6.886 15.900 2.112 411 HD1 HIS 50 HD1 HIS 50 7.428 16.764 -1.483 412 HD2 HIS 50 HD2 HIS 50 9.587 15.207 1.716 413 HE1 HIS 50 HE1 HIS 50 9.849 16.915 -2.154 414 HE2 HIS 50 HE2 HIS 50 11.136 16.171 -0.112 415 H GLU 51 H GLU 51 6.430 12.418 -0.748 416 HA GLU 51 HA GLU 51 5.110 13.714 -3.011 417 HB2 GLU 51 HB2 GLU 51 6.443 11.000 -2.929 418 HB3 GLU 51 HB3 GLU 51 5.993 11.918 -4.357 419 HG2 GLU 51 HG2 GLU 51 8.105 12.705 -2.362 420 HG3 GLU 51 HG3 GLU 51 8.398 11.978 -3.940 421 H LEU 52 H LEU 52 4.393 11.723 -0.438 422 HA LEU 52 HA LEU 52 2.321 10.200 -1.833 423 HB2 LEU 52 HB2 LEU 52 4.050 9.215 -0.178 424 HB3 LEU 52 HB3 LEU 52 3.072 9.953 1.070 425 HG LEU 52 HG LEU 52 2.624 7.533 0.732 426 HD11 LEU 52 HD11 LEU 52 0.303 9.354 0.128 427 HD12 LEU 52 HD12 LEU 52 0.912 8.932 1.728 428 HD13 LEU 52 HD13 LEU 52 0.185 7.692 0.706 429 HD21 LEU 52 HD21 LEU 52 2.972 7.407 -1.661 430 HD22 LEU 52 HD22 LEU 52 1.568 8.435 -1.941 431 HD23 LEU 52 HD23 LEU 52 1.360 6.829 -1.244 432 H THR 53 H THR 53 0.605 11.519 -2.114 433 HA THR 53 HA THR 53 -0.569 12.734 0.300 434 HB THR 53 HB THR 53 -1.499 14.516 -1.193 435 HG1 THR 53 HG1 THR 53 0.329 14.324 -3.160 436 HG21 THR 53 HG21 THR 53 1.518 14.351 -1.148 437 HG22 THR 53 HG22 THR 53 0.506 14.924 0.177 438 HG23 THR 53 HG23 THR 53 0.560 15.819 -1.343 439 H GLU 54 H GLU 54 -2.988 13.358 -0.265 440 HA GLU 54 HA GLU 54 -4.448 11.019 -0.720 441 HB2 GLU 54 HB2 GLU 54 -5.575 13.762 -1.245 442 HB3 GLU 54 HB3 GLU 54 -6.400 12.346 -0.623 443 HG2 GLU 54 HG2 GLU 54 -6.218 13.642 1.255 444 HG3 GLU 54 HG3 GLU 54 -4.792 12.616 1.397 445 H ASP 55 H ASP 55 -3.412 13.569 -2.884 446 HA ASP 55 HA ASP 55 -5.041 12.973 -5.086 447 HB2 ASP 55 HB2 ASP 55 -3.753 15.067 -4.891 448 HB3 ASP 55 HB3 ASP 55 -2.257 14.158 -5.074 449 H PHE 56 H PHE 56 -1.853 11.788 -4.136 450 HA PHE 56 HA PHE 56 -1.346 10.201 -6.397 451 HB2 PHE 56 HB2 PHE 56 0.372 10.768 -4.701 452 HB3 PHE 56 HB3 PHE 56 -0.442 9.721 -3.543 453 HD1 PHE 56 HD1 PHE 56 1.628 9.850 -6.552 454 HD2 PHE 56 HD2 PHE 56 -0.289 7.314 -3.720 455 HE1 PHE 56 HE1 PHE 56 2.962 7.947 -7.357 456 HE2 PHE 56 HE2 PHE 56 1.043 5.406 -4.520 457 HZ PHE 56 HZ PHE 56 2.671 5.723 -6.341 458 H LEU 57 H LEU 57 -2.831 9.378 -3.269 459 HA LEU 57 HA LEU 57 -3.332 6.683 -3.787 460 HB2 LEU 57 HB2 LEU 57 -4.502 8.735 -1.959 461 HB3 LEU 57 HB3 LEU 57 -5.318 7.192 -2.121 462 HG LEU 57 HG LEU 57 -3.814 7.296 -0.170 463 HD11 LEU 57 HD11 LEU 57 -2.974 5.333 -2.295 464 HD12 LEU 57 HD12 LEU 57 -4.339 5.151 -1.194 465 HD13 LEU 57 HD13 LEU 57 -2.693 5.162 -0.563 466 HD21 LEU 57 HD21 LEU 57 -1.622 7.501 -2.224 467 HD22 LEU 57 HD22 LEU 57 -1.398 7.250 -0.493 468 HD23 LEU 57 HD23 LEU 57 -2.098 8.758 -1.081 469 H ARG 58 H ARG 58 -5.346 9.535 -4.368 470 HA ARG 58 HA ARG 58 -7.597 8.098 -5.313 471 HB2 ARG 58 HB2 ARG 58 -7.775 10.375 -4.462 472 HB3 ARG 58 HB3 ARG 58 -6.764 10.964 -5.771 473 HG2 ARG 58 HG2 ARG 58 -8.462 10.377 -7.389 474 HG3 ARG 58 HG3 ARG 58 -9.468 9.687 -6.113 475 HD2 ARG 58 HD2 ARG 58 -9.665 11.861 -5.060 476 HD3 ARG 58 HD3 ARG 58 -8.582 12.565 -6.257 477 HE ARG 58 HE ARG 58 -10.440 11.713 -7.871 478 HH11 ARG 58 HH11 ARG 58 -10.925 13.129 -4.690 479 HH12 ARG 58 HH12 ARG 58 -12.440 13.855 -5.125 480 HH21 ARG 58 HH21 ARG 58 -12.412 12.664 -8.425 481 HH22 ARG 58 HH22 ARG 58 -13.289 13.604 -7.249 482 H ASP 59 H ASP 59 -4.926 9.732 -6.981 483 HA ASP 59 HA ASP 59 -5.806 9.252 -9.611 484 HB2 ASP 59 HB2 ASP 59 -3.997 10.851 -8.968 485 HB3 ASP 59 HB3 ASP 59 -2.942 9.475 -8.655 486 H TYR 60 H TYR 60 -3.710 7.372 -7.461 487 HA TYR 60 HA TYR 60 -3.084 5.356 -9.352 488 HB2 TYR 60 HB2 TYR 60 -1.940 5.933 -7.087 489 HB3 TYR 60 HB3 TYR 60 -3.146 4.859 -6.388 490 HD1 TYR 60 HD2 TYR 60 -3.192 2.447 -7.119 491 HD2 TYR 60 HD1 TYR 60 -0.042 5.091 -8.199 492 HE1 TYR 60 HE2 TYR 60 -1.767 0.516 -7.668 493 HE2 TYR 60 HE1 TYR 60 1.390 3.172 -8.752 494 HH TYR 60 HH TYR 60 1.508 0.694 -8.023 495 H LEU 61 H LEU 61 -5.672 5.785 -7.021 496 HA LEU 61 HA LEU 61 -6.902 3.280 -7.192 497 HB2 LEU 61 HB2 LEU 61 -7.605 4.906 -5.569 498 HB3 LEU 61 HB3 LEU 61 -8.051 6.044 -6.821 499 HG LEU 61 HG LEU 61 -9.848 4.475 -7.540 500 HD11 LEU 61 HD11 LEU 61 -10.524 2.707 -5.980 501 HD12 LEU 61 HD12 LEU 61 -9.070 3.001 -5.029 502 HD13 LEU 61 HD13 LEU 61 -8.936 2.403 -6.682 503 HD21 LEU 61 HD21 LEU 61 -11.344 4.998 -5.684 504 HD22 LEU 61 HD22 LEU 61 -10.320 6.376 -6.089 505 HD23 LEU 61 HD23 LEU 61 -9.957 5.394 -4.669 506 H ILE 62 H ILE 62 -7.409 6.210 -9.114 507 HA ILE 62 HA ILE 62 -9.229 5.155 -10.960 508 HB ILE 62 HB ILE 62 -7.146 7.297 -11.430 509 HG12 ILE 62 HG12 ILE 62 -10.056 7.534 -10.630 510 HG13 ILE 62 HG13 ILE 62 -8.693 7.746 -9.537 511 HG21 ILE 62 HG21 ILE 62 -9.665 6.656 -12.963 512 HG22 ILE 62 HG22 ILE 62 -8.012 6.428 -13.533 513 HG23 ILE 62 HG23 ILE 62 -8.629 8.054 -13.237 514 HD11 ILE 62 HD11 ILE 62 -9.617 9.877 -10.269 515 HD12 ILE 62 HD12 ILE 62 -9.291 9.447 -11.947 516 HD13 ILE 62 HD13 ILE 62 -7.953 9.674 -10.821 517 H TYR 63 H TYR 63 -5.675 5.272 -11.058 518 HA TYR 63 HA TYR 63 -5.239 4.012 -13.501 519 HB2 TYR 63 HB2 TYR 63 -3.370 4.953 -12.390 520 HB3 TYR 63 HB3 TYR 63 -3.679 4.043 -10.919 521 HD1 TYR 63 HD2 TYR 63 -2.564 3.669 -14.454 522 HD2 TYR 63 HD1 TYR 63 -2.614 1.986 -10.543 523 HE1 TYR 63 HE2 TYR 63 -0.944 1.959 -15.171 524 HE2 TYR 63 HE1 TYR 63 -0.994 0.278 -11.252 525 HH TYR 63 HH TYR 63 0.764 0.482 -14.135 526 H MET 64 H MET 64 -5.801 2.608 -10.315 527 HA MET 64 HA MET 64 -5.432 -0.094 -11.053 528 HB2 MET 64 HB2 MET 64 -5.446 0.898 -8.719 529 HB3 MET 64 HB3 MET 64 -7.199 0.935 -8.836 530 HG2 MET 64 HG2 MET 64 -7.131 -1.085 -7.921 531 HG3 MET 64 HG3 MET 64 -6.621 -1.651 -9.512 532 HE1 MET 64 HE1 MET 64 -4.447 0.677 -7.239 533 HE2 MET 64 HE2 MET 64 -3.591 -0.488 -6.228 534 HE3 MET 64 HE3 MET 64 -5.334 -0.274 -6.046 535 H LYS 65 H LYS 65 -8.317 1.941 -10.786 536 HA LYS 65 HA LYS 65 -10.143 -0.160 -11.397 537 HB2 LYS 65 HB2 LYS 65 -10.650 1.956 -10.105 538 HB3 LYS 65 HB3 LYS 65 -10.621 2.815 -11.635 539 HG2 LYS 65 HG2 LYS 65 -12.464 0.495 -11.152 540 HG3 LYS 65 HG3 LYS 65 -12.889 2.141 -10.691 541 HD2 LYS 65 HD2 LYS 65 -12.583 2.851 -13.028 542 HD3 LYS 65 HD3 LYS 65 -12.203 1.186 -13.471 543 HE2 LYS 65 HE2 LYS 65 -14.433 0.494 -12.692 544 HE3 LYS 65 HE3 LYS 65 -14.808 2.175 -12.316 545 HZ1 LYS 65 HZ1 LYS 65 -14.250 1.029 -14.993 546 HZ2 LYS 65 HZ2 LYS 65 -14.417 2.685 -14.695 547 HZ3 LYS 65 HZ3 LYS 65 -15.729 1.642 -14.437 548 H LYS 66 H LYS 66 -8.752 2.506 -13.292 549 HA LYS 66 HA LYS 66 -10.324 1.777 -15.608 550 HB2 LYS 66 HB2 LYS 66 -9.670 4.156 -14.845 551 HB3 LYS 66 HB3 LYS 66 -8.102 3.811 -15.552 552 HG2 LYS 66 HG2 LYS 66 -10.669 3.612 -17.104 553 HG3 LYS 66 HG3 LYS 66 -9.720 5.092 -16.990 554 HD2 LYS 66 HD2 LYS 66 -7.829 4.009 -18.022 555 HD3 LYS 66 HD3 LYS 66 -8.671 2.458 -18.018 556 HE2 LYS 66 HE2 LYS 66 -10.378 3.408 -19.504 557 HE3 LYS 66 HE3 LYS 66 -9.488 4.931 -19.536 558 HZ1 LYS 66 HZ1 LYS 66 -7.618 3.773 -20.532 559 HZ2 LYS 66 HZ2 LYS 66 -9.008 3.584 -21.484 560 HZ3 LYS 66 HZ3 LYS 66 -8.470 2.308 -20.500 561 H THR 67 H THR 67 -6.813 2.110 -15.013 562 HA THR 67 HA THR 67 -6.159 0.962 -17.534 563 HB THR 67 HB THR 67 -4.287 1.350 -15.200 564 HG1 THR 67 HG1 THR 67 -4.024 3.437 -16.651 565 HG21 THR 67 HG21 THR 67 -3.863 1.403 -18.194 566 HG22 THR 67 HG22 THR 67 -3.369 0.111 -17.097 567 HG23 THR 67 HG23 THR 67 -2.623 1.705 -16.975 568 H LEU 68 H LEU 68 -6.070 -0.247 -14.193 569 HA LEU 68 HA LEU 68 -5.062 -2.823 -15.081 570 HB2 LEU 68 HB2 LEU 68 -5.952 -1.880 -12.358 571 HB3 LEU 68 HB3 LEU 68 -5.235 -3.444 -12.690 572 HG LEU 68 HG LEU 68 -3.877 -0.768 -13.001 573 HD11 LEU 68 HD11 LEU 68 -3.531 -3.001 -11.007 574 HD12 LEU 68 HD12 LEU 68 -4.175 -1.391 -10.687 575 HD13 LEU 68 HD13 LEU 68 -2.481 -1.589 -11.141 576 HD21 LEU 68 HD21 LEU 68 -2.851 -3.568 -13.466 577 HD22 LEU 68 HD22 LEU 68 -1.852 -2.116 -13.423 578 HD23 LEU 68 HD23 LEU 68 -3.071 -2.310 -14.682 579 H CYS 69 H CYS 69 -8.076 -1.331 -14.560 580 HA CYS 69 HA CYS 69 -10.226 -2.015 -14.735 581 HB2 CYS 69 HB2 CYS 69 -9.228 -3.257 -16.734 582 HB3 CYS 69 HB3 CYS 69 -9.199 -4.683 -15.704 583 HG CYS 69 HG CYS 69 -12.201 -3.341 -15.609 584 H ASN 70 H ASN 70 -8.807 -2.337 -12.280 585 HA ASN 70 HA ASN 70 -9.929 -4.794 -11.142 586 HB2 ASN 70 HB2 ASN 70 -7.969 -2.768 -10.064 587 HB3 ASN 70 HB3 ASN 70 -8.658 -4.047 -9.073 588 HD21 ASN 70 HD21 ASN 70 -8.681 -6.008 -11.178 589 HD22 ASN 70 HD22 ASN 70 -7.043 -6.484 -11.438 590 H ALA 71 H ALA 71 -11.294 -4.763 -9.331 591 HA ALA 71 HA ALA 71 -13.121 -2.532 -9.317 592 HB1 ALA 71 HB1 ALA 71 -13.153 -5.051 -7.659 593 HB2 ALA 71 HB2 ALA 71 -13.946 -4.841 -9.219 594 HB3 ALA 71 HB3 ALA 71 -14.474 -3.897 -7.827 595 H ASP 72 H ASP 72 -13.994 -1.880 -7.061 596 HA ASP 72 HA ASP 72 -12.081 -0.270 -5.839 597 HB2 ASP 72 HB2 ASP 72 -14.696 -1.257 -4.682 598 HB3 ASP 72 HB3 ASP 72 -13.763 0.105 -4.074 599 H SER 73 H SER 73 -13.445 -3.338 -4.728 600 HA SER 73 HA SER 73 -12.210 -3.482 -2.245 601 HB2 SER 73 HB2 SER 73 -12.743 -5.885 -3.990 602 HB3 SER 73 HB3 SER 73 -12.862 -5.757 -2.230 603 HG SER 73 HG SER 73 -14.545 -4.044 -2.840 604 H THR 74 H THR 74 -11.109 -4.738 -5.379 605 HA THR 74 HA THR 74 -8.707 -5.888 -4.465 606 HB THR 74 HB THR 74 -9.313 -4.791 -7.220 607 HG1 THR 74 HG1 THR 74 -10.366 -6.631 -7.606 608 HG21 THR 74 HG21 THR 74 -7.669 -6.426 -7.996 609 HG22 THR 74 HG22 THR 74 -7.360 -6.922 -6.330 610 HG23 THR 74 HG23 THR 74 -6.936 -5.292 -6.859 611 H ALA 75 H ALA 75 -9.491 -2.688 -5.738 612 HA ALA 75 HA ALA 75 -6.872 -1.707 -5.986 613 HB1 ALA 75 HB1 ALA 75 -7.892 0.492 -6.110 614 HB2 ALA 75 HB2 ALA 75 -9.398 -0.149 -5.456 615 HB3 ALA 75 HB3 ALA 75 -8.831 -0.672 -7.042 616 H GLN 76 H GLN 76 -9.199 -1.428 -3.308 617 HA GLN 76 HA GLN 76 -7.655 0.303 -1.741 618 HB2 GLN 76 HB2 GLN 76 -9.902 -1.599 -1.119 619 HB3 GLN 76 HB3 GLN 76 -9.154 -0.607 0.115 620 HG2 GLN 76 HG2 GLN 76 -10.497 0.422 -2.368 621 HG3 GLN 76 HG3 GLN 76 -11.207 0.388 -0.757 622 HE21 GLN 76 HE21 GLN 76 -10.668 2.645 -2.538 623 HE22 GLN 76 HE22 GLN 76 -9.664 3.724 -1.641 624 H ARG 77 H ARG 77 -7.958 -3.257 -1.634 625 HA ARG 77 HA ARG 77 -6.200 -3.488 0.578 626 HB2 ARG 77 HB2 ARG 77 -6.113 -5.922 0.018 627 HB3 ARG 77 HB3 ARG 77 -7.723 -5.273 0.261 628 HG2 ARG 77 HG2 ARG 77 -8.145 -6.503 -1.569 629 HG3 ARG 77 HG3 ARG 77 -7.587 -5.047 -2.393 630 HD2 ARG 77 HD2 ARG 77 -5.546 -5.989 -2.942 631 HD3 ARG 77 HD3 ARG 77 -5.628 -7.174 -1.635 632 HE ARG 77 HE ARG 77 -7.668 -7.968 -3.142 633 HH11 ARG 77 HH11 ARG 77 -4.419 -7.053 -4.116 634 HH12 ARG 77 HH12 ARG 77 -4.405 -8.131 -5.477 635 HH21 ARG 77 HH21 ARG 77 -7.646 -9.345 -4.930 636 HH22 ARG 77 HH22 ARG 77 -6.251 -9.405 -5.966 637 H ASN 78 H ASN 78 -5.646 -3.234 -2.840 638 HA ASN 78 HA ASN 78 -2.894 -4.008 -2.702 639 HB2 ASN 78 HB2 ASN 78 -4.502 -2.497 -4.751 640 HB3 ASN 78 HB3 ASN 78 -2.756 -2.664 -4.899 641 HD21 ASN 78 HD21 ASN 78 -4.704 -3.664 -6.716 642 HD22 ASN 78 HD22 ASN 78 -4.555 -5.385 -6.732 643 H LEU 79 H LEU 79 -4.650 -0.969 -2.504 644 HA LEU 79 HA LEU 79 -2.366 0.701 -2.318 645 HB2 LEU 79 HB2 LEU 79 -5.228 1.107 -1.457 646 HB3 LEU 79 HB3 LEU 79 -4.003 2.352 -1.335 647 HG LEU 79 HG LEU 79 -4.907 1.056 -3.911 648 HD11 LEU 79 HD11 LEU 79 -6.642 2.463 -2.948 649 HD12 LEU 79 HD12 LEU 79 -5.942 3.229 -4.378 650 HD13 LEU 79 HD13 LEU 79 -5.489 3.786 -2.766 651 HD21 LEU 79 HD21 LEU 79 -3.587 2.798 -4.993 652 HD22 LEU 79 HD22 LEU 79 -2.573 1.780 -3.971 653 HD23 LEU 79 HD23 LEU 79 -3.052 3.382 -3.417 654 H SER 80 H SER 80 -4.198 -1.154 -0.008 655 HA SER 80 HA SER 80 -3.391 -0.047 2.385 656 HB2 SER 80 HB2 SER 80 -3.879 -2.943 1.691 657 HB3 SER 80 HB3 SER 80 -3.690 -2.344 3.339 658 HG SER 80 HG SER 80 -5.658 -1.624 3.279 659 H THR 81 H THR 81 -1.435 -1.869 0.150 660 HA THR 81 HA THR 81 0.569 -2.738 1.908 661 HB THR 81 HB THR 81 2.061 -2.779 -0.069 662 HG1 THR 81 HG1 THR 81 -0.095 -1.904 -1.676 663 HG21 THR 81 HG21 THR 81 -0.728 -3.818 -0.573 664 HG22 THR 81 HG22 THR 81 0.538 -4.642 0.338 665 HG23 THR 81 HG23 THR 81 0.734 -4.364 -1.394 666 H ILE 82 H ILE 82 0.464 0.184 -0.116 667 HA ILE 82 HA ILE 82 2.688 1.425 1.143 668 HB ILE 82 HB ILE 82 0.497 2.548 -0.607 669 HG12 ILE 82 HG12 ILE 82 3.412 2.137 -1.253 670 HG13 ILE 82 HG13 ILE 82 2.209 0.887 -1.522 671 HG21 ILE 82 HG21 ILE 82 3.006 3.936 0.327 672 HG22 ILE 82 HG22 ILE 82 1.361 4.322 0.831 673 HG23 ILE 82 HG23 ILE 82 1.845 4.565 -0.846 674 HD11 ILE 82 HD11 ILE 82 1.007 2.373 -3.039 675 HD12 ILE 82 HD12 ILE 82 2.678 2.126 -3.556 676 HD13 ILE 82 HD13 ILE 82 2.211 3.631 -2.758 677 H LYS 83 H LYS 83 -0.779 1.445 1.694 678 HA LYS 83 HA LYS 83 -1.042 3.552 3.473 679 HB2 LYS 83 HB2 LYS 83 -2.419 0.906 3.219 680 HB3 LYS 83 HB3 LYS 83 -2.800 1.966 4.562 681 HG2 LYS 83 HG2 LYS 83 -2.969 2.832 1.694 682 HG3 LYS 83 HG3 LYS 83 -4.320 2.119 2.576 683 HD2 LYS 83 HD2 LYS 83 -4.047 3.922 4.285 684 HD3 LYS 83 HD3 LYS 83 -2.857 4.672 3.222 685 HE2 LYS 83 HE2 LYS 83 -5.036 5.708 2.927 686 HE3 LYS 83 HE3 LYS 83 -4.554 4.853 1.463 687 HZ1 LYS 83 HZ1 LYS 83 -6.018 3.056 2.024 688 HZ2 LYS 83 HZ2 LYS 83 -6.905 4.499 2.091 689 HZ3 LYS 83 HZ3 LYS 83 -6.393 3.749 3.524 690 H ILE 84 H ILE 84 -0.198 0.165 4.238 691 HA ILE 84 HA ILE 84 0.023 0.605 7.014 692 HB ILE 84 HB ILE 84 1.351 -1.518 5.317 693 HG12 ILE 84 HG12 ILE 84 -1.206 -1.575 6.934 694 HG13 ILE 84 HG13 ILE 84 -1.122 -1.460 5.180 695 HG21 ILE 84 HG21 ILE 84 2.463 -1.334 7.463 696 HG22 ILE 84 HG22 ILE 84 1.483 -2.801 7.421 697 HG23 ILE 84 HG23 ILE 84 0.910 -1.380 8.297 698 HD11 ILE 84 HD11 ILE 84 -1.643 -3.718 5.903 699 HD12 ILE 84 HD12 ILE 84 -0.156 -3.772 6.845 700 HD13 ILE 84 HD13 ILE 84 -0.081 -3.664 5.087 701 H TYR 85 H TYR 85 2.303 0.977 4.388 702 HA TYR 85 HA TYR 85 4.628 1.274 6.007 703 HB2 TYR 85 HB2 TYR 85 4.889 0.652 3.694 704 HB3 TYR 85 HB3 TYR 85 4.026 2.088 3.156 705 HD1 TYR 85 HD2 TYR 85 7.136 0.981 4.876 706 HD2 TYR 85 HD1 TYR 85 5.193 4.073 2.690 707 HE1 TYR 85 HE2 TYR 85 9.269 2.196 4.705 708 HE2 TYR 85 HE1 TYR 85 7.319 5.296 2.515 709 HH TYR 85 HH TYR 85 9.462 5.444 3.619 710 H VAL 86 H VAL 86 2.575 3.590 4.267 711 HA VAL 86 HA VAL 86 3.905 5.896 5.201 712 HB VAL 86 HB VAL 86 1.097 5.540 4.147 713 HG11 VAL 86 HG11 VAL 86 1.083 7.956 3.766 714 HG12 VAL 86 HG12 VAL 86 2.660 8.095 4.544 715 HG13 VAL 86 HG13 VAL 86 1.255 7.591 5.484 716 HG21 VAL 86 HG21 VAL 86 2.046 6.446 2.070 717 HG22 VAL 86 HG22 VAL 86 2.832 4.945 2.556 718 HG23 VAL 86 HG23 VAL 86 3.638 6.490 2.828 719 H SER 87 H SER 87 0.985 4.217 6.321 720 HA SER 87 HA SER 87 0.258 5.981 8.349 721 HB2 SER 87 HB2 SER 87 -0.205 3.075 7.819 722 HB3 SER 87 HB3 SER 87 -0.724 3.758 9.363 723 HG SER 87 HG SER 87 -1.910 5.325 8.106 724 H ALA 88 H ALA 88 2.610 3.330 8.400 725 HA ALA 88 HA ALA 88 3.141 3.506 11.198 726 HB1 ALA 88 HB1 ALA 88 3.666 1.496 9.910 727 HB2 ALA 88 HB2 ALA 88 5.101 2.133 10.717 728 HB3 ALA 88 HB3 ALA 88 4.871 2.398 8.989 729 H ALA 89 H ALA 89 4.385 5.081 8.343 730 HA ALA 89 HA ALA 89 6.599 6.353 9.648 731 HB1 ALA 89 HB1 ALA 89 5.288 6.997 7.014 732 HB2 ALA 89 HB2 ALA 89 6.636 5.886 7.249 733 HB3 ALA 89 HB3 ALA 89 6.844 7.608 7.571 734 H ILE 90 H ILE 90 3.257 7.026 9.277 735 HA ILE 90 HA ILE 90 3.417 9.830 9.762 736 HB ILE 90 HB ILE 90 1.074 7.933 10.042 737 HG12 ILE 90 HG12 ILE 90 1.667 9.908 7.832 738 HG13 ILE 90 HG13 ILE 90 2.091 8.200 7.747 739 HG21 ILE 90 HG21 ILE 90 0.739 9.942 11.386 740 HG22 ILE 90 HG22 ILE 90 -0.344 9.924 9.992 741 HG23 ILE 90 HG23 ILE 90 1.093 10.951 9.981 742 HD11 ILE 90 HD11 ILE 90 0.019 8.706 6.563 743 HD12 ILE 90 HD12 ILE 90 -0.694 9.288 8.067 744 HD13 ILE 90 HD13 ILE 90 -0.244 7.591 7.903 745 H LYS 91 H LYS 91 3.231 6.976 11.755 746 HA LYS 91 HA LYS 91 2.301 8.367 14.083 747 HB2 LYS 91 HB2 LYS 91 3.313 5.578 13.597 748 HB3 LYS 91 HB3 LYS 91 2.986 6.161 15.225 749 HG2 LYS 91 HG2 LYS 91 1.000 6.046 12.963 750 HG3 LYS 91 HG3 LYS 91 1.089 4.926 14.328 751 HD2 LYS 91 HD2 LYS 91 0.661 6.773 15.872 752 HD3 LYS 91 HD3 LYS 91 0.584 7.893 14.511 753 HE2 LYS 91 HE2 LYS 91 -1.360 6.770 13.637 754 HE3 LYS 91 HE3 LYS 91 -1.256 5.535 14.894 755 HZ1 LYS 91 HZ1 LYS 91 -1.675 7.219 16.557 756 HZ2 LYS 91 HZ2 LYS 91 -2.923 7.222 15.405 757 HZ3 LYS 91 HZ3 LYS 91 -1.731 8.431 15.371 758 H LYS 92 H LYS 92 5.436 6.994 13.105 759 HA LYS 92 HA LYS 92 6.765 9.229 14.276 760 HB2 LYS 92 HB2 LYS 92 6.291 7.529 16.166 761 HB3 LYS 92 HB3 LYS 92 7.547 6.560 15.403 762 HG2 LYS 92 HG2 LYS 92 9.167 8.277 15.742 763 HG3 LYS 92 HG3 LYS 92 7.927 9.396 16.315 764 HD2 LYS 92 HD2 LYS 92 7.451 7.806 18.170 765 HD3 LYS 92 HD3 LYS 92 8.841 6.860 17.632 766 HE2 LYS 92 HE2 LYS 92 10.325 8.703 18.055 767 HE3 LYS 92 HE3 LYS 92 8.967 9.769 18.406 768 HZ1 LYS 92 HZ1 LYS 92 10.075 7.586 20.040 769 HZ2 LYS 92 HZ2 LYS 92 8.459 8.055 20.239 770 HZ3 LYS 92 HZ3 LYS 92 9.701 9.180 20.487 771 H GLY 93 H GLY 93 7.050 9.113 11.884 772 HA2 GLY 93 HA2 GLY 93 9.627 7.779 11.383 773 HA3 GLY 93 HA3 GLY 93 8.330 7.621 10.206 774 H TYR 94 H TYR 94 7.340 9.818 9.590 775 HA TYR 94 HA TYR 94 8.960 12.146 9.758 776 HB2 TYR 94 HB2 TYR 94 10.194 10.756 8.073 777 HB3 TYR 94 HB3 TYR 94 8.779 10.852 7.035 778 HD1 TYR 94 HD1 TYR 94 11.408 12.897 8.673 779 HD2 TYR 94 HD2 TYR 94 8.375 12.763 5.690 780 HE1 TYR 94 HE1 TYR 94 12.202 15.046 7.773 781 HE2 TYR 94 HE2 TYR 94 9.163 14.905 4.783 782 HH TYR 94 HH TYR 94 10.395 16.857 5.486 783 H MET 95 H MET 95 6.394 10.373 8.140 784 HA MET 95 HA MET 95 5.011 12.634 7.151 785 HB2 MET 95 HB2 MET 95 4.131 9.806 7.725 786 HB3 MET 95 HB3 MET 95 3.096 11.008 6.983 787 HG2 MET 95 HG2 MET 95 5.728 10.110 5.844 788 HG3 MET 95 HG3 MET 95 4.161 9.450 5.381 789 HE1 MET 95 HE1 MET 95 2.217 11.894 5.251 790 HE2 MET 95 HE2 MET 95 2.368 10.682 3.979 791 HE3 MET 95 HE3 MET 95 2.424 12.396 3.575 792 H GLU 96 H GLU 96 3.113 13.586 7.938 793 HA GLU 96 HA GLU 96 2.624 13.213 10.818 794 HB2 GLU 96 HB2 GLU 96 4.040 15.194 10.385 795 HB3 GLU 96 HB3 GLU 96 2.799 15.833 9.322 796 HG2 GLU 96 HG2 GLU 96 1.260 15.994 11.202 797 HG3 GLU 96 HG3 GLU 96 2.508 15.348 12.275 798 H ASN 97 H ASN 97 1.423 14.615 7.795 799 HA ASN 97 HA ASN 97 -1.330 14.289 8.744 800 HB2 ASN 97 HB2 ASN 97 -0.286 15.647 6.246 801 HB3 ASN 97 HB3 ASN 97 -1.965 15.619 6.775 802 HD21 ASN 97 HD21 ASN 97 -1.327 15.970 9.585 803 HD22 ASN 97 HD22 ASN 97 -0.822 17.613 9.766 804 H ASP 98 H ASP 98 -2.416 12.528 8.182 805 HA ASP 98 HA ASP 98 -1.255 10.629 6.389 806 HB2 ASP 98 HB2 ASP 98 -3.349 9.337 6.912 807 HB3 ASP 98 HB3 ASP 98 -2.368 9.754 8.308 808 HA PRO 99 HA PRO 99 -3.498 11.869 2.810 809 HB2 PRO 99 HB2 PRO 99 -3.105 9.745 1.249 810 HB3 PRO 99 HB3 PRO 99 -1.752 10.747 1.781 811 HG2 PRO 99 HG2 PRO 99 -2.667 8.096 2.812 812 HG3 PRO 99 HG3 PRO 99 -1.017 8.686 2.543 813 HD2 PRO 99 HD2 PRO 99 -2.315 8.651 4.992 814 HD3 PRO 99 HD3 PRO 99 -0.923 9.674 4.592 815 H PHE 100 H PHE 100 -4.760 9.528 4.888 816 HA PHE 100 HA PHE 100 -6.833 8.711 3.000 817 HB2 PHE 100 HB2 PHE 100 -7.495 7.028 4.633 818 HB3 PHE 100 HB3 PHE 100 -5.798 6.908 4.218 819 HD1 PHE 100 HD1 PHE 100 -8.151 7.999 6.845 820 HD2 PHE 100 HD2 PHE 100 -4.130 7.022 5.854 821 HE1 PHE 100 HE1 PHE 100 -7.577 7.954 9.236 822 HE2 PHE 100 HE2 PHE 100 -3.549 6.981 8.243 823 HZ PHE 100 HZ PHE 100 -5.272 7.447 9.938 824 H LYS 101 H LYS 101 -6.464 10.638 5.914 825 HA LYS 101 HA LYS 101 -9.064 10.982 6.691 826 HB2 LYS 101 HB2 LYS 101 -6.568 12.506 6.791 827 HB3 LYS 101 HB3 LYS 101 -8.003 13.505 6.855 828 HG2 LYS 101 HG2 LYS 101 -7.395 11.203 8.681 829 HG3 LYS 101 HG3 LYS 101 -7.187 12.908 9.073 830 HD2 LYS 101 HD2 LYS 101 -9.586 13.264 8.837 831 HD3 LYS 101 HD3 LYS 101 -9.797 11.563 8.401 832 HE2 LYS 101 HE2 LYS 101 -9.137 10.829 10.535 833 HE3 LYS 101 HE3 LYS 101 -8.493 12.409 10.956 834 HZ1 LYS 101 HZ1 LYS 101 -10.535 12.180 12.089 835 HZ2 LYS 101 HZ2 LYS 101 -11.334 11.598 10.710 836 HZ3 LYS 101 HZ3 LYS 101 -10.863 13.223 10.792 837 H ASP 102 H ASP 102 -7.331 12.680 4.105 838 HA ASP 102 HA ASP 102 -9.711 14.212 3.463 839 HB2 ASP 102 HB2 ASP 102 -6.840 14.316 2.615 840 HB3 ASP 102 HB3 ASP 102 -8.069 15.135 1.666 841 H PHE 103 H PHE 103 -8.605 11.225 2.667 842 HA PHE 103 HA PHE 103 -8.995 11.208 -0.148 843 HB2 PHE 103 HB2 PHE 103 -7.642 9.505 1.022 844 HB3 PHE 103 HB3 PHE 103 -9.096 8.898 1.807 845 HD1 PHE 103 HD1 PHE 103 -7.495 9.374 -1.502 846 HD2 PHE 103 HD2 PHE 103 -10.449 7.305 0.759 847 HE1 PHE 103 HE1 PHE 103 -7.874 7.850 -3.396 848 HE2 PHE 103 HE2 PHE 103 -10.830 5.780 -1.132 849 HZ PHE 103 HZ PHE 103 -9.544 6.051 -3.211 850 H GLY 104 H GLY 104 -11.084 10.522 2.623 851 HA2 GLY 104 HA2 GLY 104 -13.398 10.784 0.868 852 HA3 GLY 104 HA3 GLY 104 -13.211 9.239 1.681 853 H LEU 105 H LEU 105 -12.110 11.982 3.442 854 HA LEU 105 HA LEU 105 -14.657 12.064 4.905 855 HB2 LEU 105 HB2 LEU 105 -12.871 10.694 6.057 856 HB3 LEU 105 HB3 LEU 105 -11.932 12.162 6.206 857 HG LEU 105 HG LEU 105 -13.231 11.409 8.260 858 HD11 LEU 105 HD11 LEU 105 -12.300 13.634 8.107 859 HD12 LEU 105 HD12 LEU 105 -13.885 13.688 8.878 860 HD13 LEU 105 HD13 LEU 105 -13.706 14.186 7.196 861 HD21 LEU 105 HD21 LEU 105 -15.547 12.456 6.641 862 HD22 LEU 105 HD22 LEU 105 -15.588 12.054 8.358 863 HD23 LEU 105 HD23 LEU 105 -15.307 10.786 7.162 864 H GLU 106 H GLU 106 -15.465 13.996 4.657 865 HA GLU 106 HA GLU 106 -14.002 16.201 3.658 866 HB2 GLU 106 HB2 GLU 106 -16.303 15.957 3.064 867 HB3 GLU 106 HB3 GLU 106 -16.796 15.925 4.752 868 HG2 GLU 106 HG2 GLU 106 -15.971 18.280 4.942 869 HG3 GLU 106 HG3 GLU 106 -15.749 18.269 3.193 870 H HIS 107 H HIS 107 -13.096 17.910 4.638 871 HA HIS 107 HA HIS 107 -13.437 18.251 7.532 872 HB2 HIS 107 HB2 HIS 107 -11.621 19.774 5.643 873 HB3 HIS 107 HB3 HIS 107 -11.630 19.893 7.397 874 HD1 HIS 107 HD1 HIS 107 -11.461 16.989 8.254 875 HD2 HIS 107 HD2 HIS 107 -9.319 18.544 5.047 876 HE1 HIS 107 HE1 HIS 107 -9.485 15.454 7.944 877 HE2 HIS 107 HE2 HIS 107 -8.306 16.322 5.879 878 H HIS 108 H HIS 108 -14.771 19.808 8.311 879 HA HIS 108 HA HIS 108 -16.423 21.206 6.438 880 HB2 HIS 108 HB2 HIS 108 -16.311 21.146 9.441 881 HB3 HIS 108 HB3 HIS 108 -17.361 22.273 8.588 882 HD1 HIS 108 HD1 HIS 108 -19.008 21.006 6.767 883 HD2 HIS 108 HD2 HIS 108 -17.507 18.754 9.928 884 HE1 HIS 108 HE1 HIS 108 -20.530 19.015 6.965 885 HE2 HIS 108 HE2 HIS 108 -19.500 17.576 8.757 886 H HIS 109 H HIS 109 -13.729 22.074 8.497 887 HA HIS 109 HA HIS 109 -13.551 24.616 7.062 888 HB2 HIS 109 HB2 HIS 109 -13.568 24.362 10.075 889 HB3 HIS 109 HB3 HIS 109 -12.955 25.779 9.230 890 HD1 HIS 109 HD1 HIS 109 -15.990 24.392 10.645 891 HD2 HIS 109 HD2 HIS 109 -15.052 27.070 7.601 892 HE1 HIS 109 HE1 HIS 109 -18.111 25.659 10.174 893 HE2 HIS 109 HE2 HIS 109 -17.471 27.396 8.466 894 H HIS 110 H HIS 110 -11.700 24.250 6.020 895 HA HIS 110 HA HIS 110 -9.517 22.894 7.358 896 HB2 HIS 110 HB2 HIS 110 -8.357 22.916 5.225 897 HB3 HIS 110 HB3 HIS 110 -9.999 22.332 5.011 898 HD1 HIS 110 HD1 HIS 110 -7.839 23.895 2.999 899 HD2 HIS 110 HD2 HIS 110 -11.514 25.183 4.470 900 HE1 HIS 110 HE1 HIS 110 -8.630 25.671 1.402 901 HE2 HIS 110 HE2 HIS 110 -10.755 26.569 2.418 902 H HIS 111 H HIS 111 -8.608 24.092 8.844 903 HA HIS 111 HA HIS 111 -6.920 26.256 8.268 904 HB2 HIS 111 HB2 HIS 111 -9.129 27.423 7.970 905 HB3 HIS 111 HB3 HIS 111 -9.498 27.060 9.650 906 HD1 HIS 111 HD1 HIS 111 -9.057 28.951 11.159 907 HD2 HIS 111 HD2 HIS 111 -6.540 28.993 7.847 908 HE1 HIS 111 HE1 HIS 111 -7.644 31.016 11.404 909 HE2 HIS 111 HE2 HIS 111 -6.306 31.140 9.272 910 H HIS 112 H HIS 112 -5.489 26.396 9.924 911 HA HIS 112 HA HIS 112 -6.261 25.121 12.460 912 HB2 HIS 112 HB2 HIS 112 -3.935 24.247 12.645 913 HB3 HIS 112 HB3 HIS 112 -4.829 23.561 11.299 914 HD1 HIS 112 HD1 HIS 112 -1.726 25.316 12.130 915 HD2 HIS 112 HD2 HIS 112 -3.988 24.590 8.719 916 HE1 HIS 112 HE1 HIS 112 -0.213 25.834 10.190 917 HE2 HIS 112 HE2 HIS 112 -1.690 25.632 8.155 Start of MODEL 15 1 H1 MET 1 H1 MET 1 14.935 -12.593 8.345 2 H2 MET 1 H2 MET 1 13.428 -12.009 8.850 3 H3 MET 1 H3 MET 1 13.685 -13.679 8.701 4 HA MET 1 HA MET 1 13.730 -13.085 11.001 5 HB2 MET 1 HB2 MET 1 15.293 -14.835 10.210 6 HB3 MET 1 HB3 MET 1 16.526 -13.608 9.958 7 HG2 MET 1 HG2 MET 1 16.560 -13.128 12.338 8 HG3 MET 1 HG3 MET 1 15.283 -14.313 12.607 9 HE1 MET 1 HE1 MET 1 17.985 -14.360 14.242 10 HE2 MET 1 HE2 MET 1 18.363 -16.082 14.216 11 HE3 MET 1 HE3 MET 1 16.697 -15.546 14.444 12 H ASN 2 H ASN 2 16.319 -11.395 9.237 13 HA ASN 2 HA ASN 2 16.387 -9.333 11.307 14 HB2 ASN 2 HB2 ASN 2 18.539 -10.140 10.449 15 HB3 ASN 2 HB3 ASN 2 18.060 -9.721 8.808 16 HD21 ASN 2 HD21 ASN 2 19.833 -8.368 8.565 17 HD22 ASN 2 HD22 ASN 2 19.905 -6.806 9.314 18 H ASN 3 H ASN 3 15.783 -7.199 10.905 19 HA ASN 3 HA ASN 3 14.475 -6.669 8.336 20 HB2 ASN 3 HB2 ASN 3 12.688 -7.345 9.844 21 HB3 ASN 3 HB3 ASN 3 13.237 -6.190 11.053 22 HD21 ASN 3 HD21 ASN 3 11.231 -5.171 11.079 23 HD22 ASN 3 HD22 ASN 3 10.717 -4.132 9.802 24 HA PRO 4 HA PRO 4 16.961 -3.001 9.420 25 HB2 PRO 4 HB2 PRO 4 18.181 -2.733 7.037 26 HB3 PRO 4 HB3 PRO 4 18.766 -3.862 8.263 27 HG2 PRO 4 HG2 PRO 4 17.219 -4.398 5.778 28 HG3 PRO 4 HG3 PRO 4 18.474 -5.377 6.557 29 HD2 PRO 4 HD2 PRO 4 15.717 -5.794 6.749 30 HD3 PRO 4 HD3 PRO 4 16.945 -6.481 7.829 31 H SER 5 H SER 5 14.796 -2.043 9.478 32 HA SER 5 HA SER 5 13.477 -1.306 7.057 33 HB2 SER 5 HB2 SER 5 12.997 -0.354 9.889 34 HB3 SER 5 HB3 SER 5 11.894 -0.151 8.527 35 HG SER 5 HG SER 5 12.545 -2.728 8.693 36 H ASP 6 H ASP 6 15.531 -0.285 6.231 37 HA ASP 6 HA ASP 6 15.292 2.613 6.640 38 HB2 ASP 6 HB2 ASP 6 17.807 0.982 6.793 39 HB3 ASP 6 HB3 ASP 6 17.864 2.640 6.209 40 H PHE 7 H PHE 7 14.631 0.419 4.609 41 HA PHE 7 HA PHE 7 16.164 0.828 2.308 42 HB2 PHE 7 HB2 PHE 7 13.304 -0.112 2.534 43 HB3 PHE 7 HB3 PHE 7 14.347 -0.300 1.139 44 HD1 PHE 7 HD2 PHE 7 16.562 -1.593 1.540 45 HD2 PHE 7 HD1 PHE 7 13.149 -1.827 4.068 46 HE1 PHE 7 HE2 PHE 7 17.361 -3.749 2.407 47 HE2 PHE 7 HE1 PHE 7 13.943 -3.987 4.940 48 HZ PHE 7 HZ PHE 7 16.050 -4.952 4.109 49 H LYS 8 H LYS 8 15.914 2.132 0.600 50 HA LYS 8 HA LYS 8 14.577 4.623 1.017 51 HB2 LYS 8 HB2 LYS 8 15.541 5.248 -1.137 52 HB3 LYS 8 HB3 LYS 8 16.741 4.497 -0.099 53 HG2 LYS 8 HG2 LYS 8 16.750 2.516 -1.344 54 HG3 LYS 8 HG3 LYS 8 15.248 2.932 -2.172 55 HD2 LYS 8 HD2 LYS 8 16.373 4.729 -3.356 56 HD3 LYS 8 HD3 LYS 8 17.871 4.388 -2.485 57 HE2 LYS 8 HE2 LYS 8 18.063 2.240 -3.520 58 HE3 LYS 8 HE3 LYS 8 16.462 2.390 -4.245 59 HZ1 LYS 8 HZ1 LYS 8 18.648 4.290 -4.857 60 HZ2 LYS 8 HZ2 LYS 8 17.214 4.018 -5.727 61 HZ3 LYS 8 HZ3 LYS 8 18.444 2.847 -5.726 62 H SER 9 H SER 9 13.836 1.695 -0.673 63 HA SER 9 HA SER 9 11.792 3.073 -2.255 64 HB2 SER 9 HB2 SER 9 12.905 0.276 -2.527 65 HB3 SER 9 HB3 SER 9 11.701 1.003 -3.589 66 HG SER 9 HG SER 9 14.395 1.275 -3.603 67 H PHE 10 H PHE 10 9.678 2.623 -2.120 68 HA PHE 10 HA PHE 10 8.607 1.722 0.280 69 HB2 PHE 10 HB2 PHE 10 6.417 1.750 -0.930 70 HB3 PHE 10 HB3 PHE 10 7.352 3.227 -1.100 71 HD1 PHE 10 HD1 PHE 10 8.518 3.708 -3.247 72 HD2 PHE 10 HD2 PHE 10 5.820 0.442 -2.817 73 HE1 PHE 10 HE1 PHE 10 8.309 3.558 -5.694 74 HE2 PHE 10 HE2 PHE 10 5.613 0.288 -5.262 75 HZ PHE 10 HZ PHE 10 6.857 1.848 -6.707 76 H HIS 11 H HIS 11 8.981 0.013 -2.811 77 HA HIS 11 HA HIS 11 7.549 -2.292 -2.031 78 HB2 HIS 11 HB2 HIS 11 8.260 -3.295 -4.022 79 HB3 HIS 11 HB3 HIS 11 8.266 -1.582 -4.414 80 HD1 HIS 11 HD1 HIS 11 10.409 -4.564 -4.260 81 HD2 HIS 11 HD2 HIS 11 10.908 -0.447 -4.616 82 HE1 HIS 11 HE1 HIS 11 12.792 -4.226 -5.012 83 HE2 HIS 11 HE2 HIS 11 13.130 -1.723 -4.970 84 H ASP 12 H ASP 12 10.753 -1.212 -1.385 85 HA ASP 12 HA ASP 12 11.796 -3.787 -0.630 86 HB2 ASP 12 HB2 ASP 12 12.804 -0.973 -0.626 87 HB3 ASP 12 HB3 ASP 12 13.622 -2.145 0.394 88 H PHE 13 H PHE 13 10.685 -0.868 1.019 89 HA PHE 13 HA PHE 13 11.135 -1.746 3.651 90 HB2 PHE 13 HB2 PHE 13 10.658 0.613 2.921 91 HB3 PHE 13 HB3 PHE 13 8.974 0.150 2.714 92 HD1 PHE 13 HD2 PHE 13 11.641 0.795 5.128 93 HD2 PHE 13 HD1 PHE 13 7.536 -0.206 4.615 94 HE1 PHE 13 HE2 PHE 13 11.222 1.315 7.494 95 HE2 PHE 13 HE1 PHE 13 7.111 0.316 6.981 96 HZ PHE 13 HZ PHE 13 8.956 1.076 8.426 97 H VAL 14 H VAL 14 8.260 -1.896 1.583 98 HA VAL 14 HA VAL 14 6.541 -3.080 3.470 99 HB VAL 14 HB VAL 14 6.443 -3.238 0.450 100 HG11 VAL 14 HG11 VAL 14 5.128 -5.028 1.443 101 HG12 VAL 14 HG12 VAL 14 4.069 -3.799 0.748 102 HG13 VAL 14 HG13 VAL 14 4.315 -3.868 2.493 103 HG21 VAL 14 HG21 VAL 14 6.327 -0.957 1.317 104 HG22 VAL 14 HG22 VAL 14 5.002 -1.426 2.383 105 HG23 VAL 14 HG23 VAL 14 4.781 -1.460 0.633 106 H ALA 15 H ALA 15 8.651 -4.509 0.996 107 HA ALA 15 HA ALA 15 7.770 -7.152 1.247 108 HB1 ALA 15 HB1 ALA 15 9.145 -6.355 -0.614 109 HB2 ALA 15 HB2 ALA 15 9.847 -7.783 0.147 110 HB3 ALA 15 HB3 ALA 15 10.520 -6.187 0.479 111 H SER 16 H SER 16 10.377 -5.437 2.927 112 HA SER 16 HA SER 16 11.328 -7.706 4.338 113 HB2 SER 16 HB2 SER 16 12.664 -5.637 3.919 114 HB3 SER 16 HB3 SER 16 11.642 -4.785 5.074 115 HG SER 16 HG SER 16 12.621 -5.757 6.688 116 H TYR 17 H TYR 17 9.096 -5.086 5.205 117 HA TYR 17 HA TYR 17 8.765 -5.929 7.900 118 HB2 TYR 17 HB2 TYR 17 8.310 -3.633 7.257 119 HB3 TYR 17 HB3 TYR 17 7.041 -4.158 6.157 120 HD1 TYR 17 HD1 TYR 17 7.979 -4.167 9.768 121 HD2 TYR 17 HD2 TYR 17 4.836 -4.284 6.899 122 HE1 TYR 17 HE1 TYR 17 6.327 -3.945 11.575 123 HE2 TYR 17 HE2 TYR 17 3.177 -4.063 8.699 124 HH TYR 17 HH TYR 17 4.015 -3.183 11.869 125 H MET 18 H MET 18 6.995 -6.570 4.916 126 HA MET 18 HA MET 18 4.739 -7.761 6.115 127 HB2 MET 18 HB2 MET 18 4.858 -6.885 3.780 128 HB3 MET 18 HB3 MET 18 5.822 -8.290 3.350 129 HG2 MET 18 HG2 MET 18 4.041 -9.761 3.653 130 HG3 MET 18 HG3 MET 18 3.119 -8.588 4.591 131 HE1 MET 18 HE1 MET 18 3.331 -5.949 2.929 132 HE2 MET 18 HE2 MET 18 1.813 -6.564 3.583 133 HE3 MET 18 HE3 MET 18 1.911 -6.073 1.892 134 H LYS 19 H LYS 19 7.877 -9.024 5.260 135 HA LYS 19 HA LYS 19 7.431 -11.763 5.345 136 HB2 LYS 19 HB2 LYS 19 9.778 -10.149 6.346 137 HB3 LYS 19 HB3 LYS 19 9.785 -11.904 6.235 138 HG2 LYS 19 HG2 LYS 19 9.592 -11.830 3.867 139 HG3 LYS 19 HG3 LYS 19 9.285 -10.092 3.891 140 HD2 LYS 19 HD2 LYS 19 11.522 -9.658 4.669 141 HD3 LYS 19 HD3 LYS 19 11.843 -11.384 4.834 142 HE2 LYS 19 HE2 LYS 19 11.651 -11.690 2.450 143 HE3 LYS 19 HE3 LYS 19 11.176 -10.006 2.241 144 HZ1 LYS 19 HZ1 LYS 19 13.549 -10.540 1.727 145 HZ2 LYS 19 HZ2 LYS 19 13.793 -10.805 3.386 146 HZ3 LYS 19 HZ3 LYS 19 13.321 -9.272 2.827 147 H THR 20 H THR 20 7.720 -9.457 7.979 148 HA THR 20 HA THR 20 7.399 -11.589 9.951 149 HB THR 20 HB THR 20 7.745 -8.622 10.441 150 HG1 THR 20 HG1 THR 20 9.599 -10.716 9.974 151 HG21 THR 20 HG21 THR 20 8.200 -11.023 12.226 152 HG22 THR 20 HG22 THR 20 6.852 -9.893 12.346 153 HG23 THR 20 HG23 THR 20 8.495 -9.338 12.662 154 H TYR 21 H TYR 21 5.659 -8.930 8.492 155 HA TYR 21 HA TYR 21 3.537 -8.706 10.320 156 HB2 TYR 21 HB2 TYR 21 3.988 -7.025 8.599 157 HB3 TYR 21 HB3 TYR 21 3.570 -8.179 7.341 158 HD1 TYR 21 HD1 TYR 21 2.142 -6.381 10.272 159 HD2 TYR 21 HD2 TYR 21 1.370 -8.333 6.570 160 HE1 TYR 21 HE1 TYR 21 -0.197 -5.623 10.368 161 HE2 TYR 21 HE2 TYR 21 -0.970 -7.583 6.654 162 HH TYR 21 HH TYR 21 -2.620 -6.853 8.288 163 H SER 22 H SER 22 4.150 -11.002 7.772 164 HA SER 22 HA SER 22 1.500 -11.946 7.475 165 HB2 SER 22 HB2 SER 22 2.684 -13.960 6.441 166 HB3 SER 22 HB3 SER 22 2.990 -12.390 5.697 167 HG SER 22 HG SER 22 5.006 -12.444 6.367 168 H ARG 23 H ARG 23 3.696 -12.320 10.018 169 HA ARG 23 HA ARG 23 2.943 -14.909 10.928 170 HB2 ARG 23 HB2 ARG 23 4.154 -12.521 12.316 171 HB3 ARG 23 HB3 ARG 23 3.793 -14.016 13.164 172 HG2 ARG 23 HG2 ARG 23 5.634 -13.784 10.793 173 HG3 ARG 23 HG3 ARG 23 6.148 -13.839 12.480 174 HD2 ARG 23 HD2 ARG 23 4.689 -15.990 10.954 175 HD3 ARG 23 HD3 ARG 23 6.360 -16.034 11.512 176 HE ARG 23 HE ARG 23 5.189 -15.768 13.832 177 HH11 ARG 23 HH11 ARG 23 4.193 -17.751 11.118 178 HH12 ARG 23 HH12 ARG 23 3.279 -18.860 12.099 179 HH21 ARG 23 HH21 ARG 23 3.979 -17.254 15.129 180 HH22 ARG 23 HH22 ARG 23 3.166 -18.588 14.350 181 H ARG 24 H ARG 24 1.393 -11.873 10.917 182 HA ARG 24 HA ARG 24 -0.624 -12.866 12.820 183 HB2 ARG 24 HB2 ARG 24 0.358 -10.052 12.354 184 HB3 ARG 24 HB3 ARG 24 -1.134 -10.412 13.214 185 HG2 ARG 24 HG2 ARG 24 0.166 -11.739 14.839 186 HG3 ARG 24 HG3 ARG 24 1.646 -11.254 14.006 187 HD2 ARG 24 HD2 ARG 24 1.268 -8.957 14.525 188 HD3 ARG 24 HD3 ARG 24 -0.345 -9.307 15.145 189 HE ARG 24 HE ARG 24 1.909 -10.580 16.500 190 HH11 ARG 24 HH11 ARG 24 -0.517 -8.054 16.459 191 HH12 ARG 24 HH12 ARG 24 -0.380 -7.724 18.163 192 HH21 ARG 24 HH21 ARG 24 2.126 -10.119 18.726 193 HH22 ARG 24 HH22 ARG 24 1.173 -8.847 19.441 194 H LEU 25 H LEU 25 -0.462 -13.284 9.942 195 HA LEU 25 HA LEU 25 -3.104 -12.228 9.271 196 HB2 LEU 25 HB2 LEU 25 -1.187 -10.845 8.217 197 HB3 LEU 25 HB3 LEU 25 -0.921 -12.244 7.205 198 HG LEU 25 HG LEU 25 -3.219 -12.055 6.352 199 HD11 LEU 25 HD11 LEU 25 -4.232 -10.992 8.306 200 HD12 LEU 25 HD12 LEU 25 -4.530 -10.059 6.840 201 HD13 LEU 25 HD13 LEU 25 -3.305 -9.523 7.990 202 HD21 LEU 25 HD21 LEU 25 -1.368 -10.990 5.168 203 HD22 LEU 25 HD22 LEU 25 -1.594 -9.526 6.125 204 HD23 LEU 25 HD23 LEU 25 -2.853 -10.055 5.008 205 H GLU 26 H GLU 26 -4.349 -13.664 8.133 206 HA GLU 26 HA GLU 26 -3.596 -16.365 7.920 207 HB2 GLU 26 HB2 GLU 26 -5.805 -14.763 6.642 208 HB3 GLU 26 HB3 GLU 26 -5.638 -16.497 6.442 209 HG2 GLU 26 HG2 GLU 26 -6.137 -16.932 8.667 210 HG3 GLU 26 HG3 GLU 26 -5.797 -15.272 9.159 211 H ILE 27 H ILE 27 -3.063 -17.602 6.110 212 HA ILE 27 HA ILE 27 -1.333 -16.350 4.254 213 HB ILE 27 HB ILE 27 -2.521 -19.131 4.125 214 HG12 ILE 27 HG12 ILE 27 0.120 -18.161 5.247 215 HG13 ILE 27 HG13 ILE 27 -1.252 -18.724 6.196 216 HG21 ILE 27 HG21 ILE 27 -1.655 -18.422 1.972 217 HG22 ILE 27 HG22 ILE 27 -0.599 -19.645 2.681 218 HG23 ILE 27 HG23 ILE 27 -0.130 -17.943 2.718 219 HD11 ILE 27 HD11 ILE 27 0.331 -20.384 4.245 220 HD12 ILE 27 HD12 ILE 27 -1.023 -20.944 5.228 221 HD13 ILE 27 HD13 ILE 27 0.476 -20.429 6.004 222 H GLY 28 H GLY 28 -4.687 -17.365 4.125 223 HA2 GLY 28 HA2 GLY 28 -5.118 -17.222 1.363 224 HA3 GLY 28 HA3 GLY 28 -6.347 -16.966 2.593 225 H THR 29 H THR 29 -5.819 -14.707 3.792 226 HA THR 29 HA THR 29 -6.387 -12.720 1.874 227 HB THR 29 HB THR 29 -7.252 -12.523 4.121 228 HG1 THR 29 HG1 THR 29 -7.136 -10.417 4.063 229 HG21 THR 29 HG21 THR 29 -5.457 -13.552 5.374 230 HG22 THR 29 HG22 THR 29 -5.826 -11.956 6.029 231 HG23 THR 29 HG23 THR 29 -4.399 -12.188 5.017 232 H PHE 30 H PHE 30 -3.432 -13.429 3.747 233 HA PHE 30 HA PHE 30 -1.771 -11.432 2.835 234 HB2 PHE 30 HB2 PHE 30 -1.037 -12.972 4.533 235 HB3 PHE 30 HB3 PHE 30 -1.167 -14.333 3.426 236 HD1 PHE 30 HD2 PHE 30 0.629 -11.084 3.774 237 HD2 PHE 30 HD1 PHE 30 0.730 -15.110 2.402 238 HE1 PHE 30 HE2 PHE 30 3.000 -10.815 3.164 239 HE2 PHE 30 HE1 PHE 30 3.097 -14.850 1.792 240 HZ PHE 30 HZ PHE 30 4.236 -12.701 2.173 241 H ARG 31 H ARG 31 -2.283 -14.615 1.319 242 HA ARG 31 HA ARG 31 -0.560 -14.243 -0.862 243 HB2 ARG 31 HB2 ARG 31 -1.709 -16.363 0.081 244 HB3 ARG 31 HB3 ARG 31 -3.045 -15.927 -0.971 245 HG2 ARG 31 HG2 ARG 31 -1.588 -16.067 -2.909 246 HG3 ARG 31 HG3 ARG 31 -0.220 -16.460 -1.865 247 HD2 ARG 31 HD2 ARG 31 -1.223 -18.514 -1.199 248 HD3 ARG 31 HD3 ARG 31 -2.744 -18.094 -1.979 249 HE ARG 31 HE ARG 31 -0.571 -18.169 -3.833 250 HH11 ARG 31 HH11 ARG 31 -2.843 -20.174 -2.075 251 HH12 ARG 31 HH12 ARG 31 -2.823 -21.458 -3.243 252 HH21 ARG 31 HH21 ARG 31 -0.523 -19.870 -5.375 253 HH22 ARG 31 HH22 ARG 31 -1.505 -21.287 -5.124 254 H HIS 32 H HIS 32 -3.928 -13.358 -0.386 255 HA HIS 32 HA HIS 32 -4.604 -12.971 -3.102 256 HB2 HIS 32 HB2 HIS 32 -6.198 -13.211 -1.150 257 HB3 HIS 32 HB3 HIS 32 -5.840 -11.537 -0.746 258 HD1 HIS 32 HD1 HIS 32 -8.625 -11.712 -1.186 259 HD2 HIS 32 HD2 HIS 32 -6.076 -11.590 -4.476 260 HE1 HIS 32 HE1 HIS 32 -10.041 -10.945 -3.121 261 HE2 HIS 32 HE2 HIS 32 -8.513 -11.011 -5.127 262 H HIS 33 H HIS 33 -3.081 -10.885 -0.724 263 HA HIS 33 HA HIS 33 -2.730 -8.892 -2.868 264 HB2 HIS 33 HB2 HIS 33 -2.669 -7.115 -1.139 265 HB3 HIS 33 HB3 HIS 33 -4.224 -7.927 -1.220 266 HD1 HIS 33 HD1 HIS 33 -1.040 -8.222 0.855 267 HD2 HIS 33 HD2 HIS 33 -5.165 -8.548 1.232 268 HE1 HIS 33 HE1 HIS 33 -1.465 -8.622 3.301 269 HE2 HIS 33 HE2 HIS 33 -3.980 -8.668 3.531 270 H LYS 34 H LYS 34 -1.061 -11.069 -2.413 271 HA LYS 34 HA LYS 34 1.204 -10.196 -0.840 272 HB2 LYS 34 HB2 LYS 34 0.547 -12.551 -0.825 273 HB3 LYS 34 HB3 LYS 34 0.798 -12.644 -2.562 274 HG2 LYS 34 HG2 LYS 34 3.201 -12.057 -2.143 275 HG3 LYS 34 HG3 LYS 34 2.873 -12.271 -0.422 276 HD2 LYS 34 HD2 LYS 34 2.189 -14.574 -0.826 277 HD3 LYS 34 HD3 LYS 34 2.463 -14.361 -2.557 278 HE2 LYS 34 HE2 LYS 34 4.839 -13.808 -2.022 279 HE3 LYS 34 HE3 LYS 34 4.511 -14.274 -0.353 280 HZ1 LYS 34 HZ1 LYS 34 4.279 -16.017 -2.748 281 HZ2 LYS 34 HZ2 LYS 34 3.875 -16.483 -1.164 282 HZ3 LYS 34 HZ3 LYS 34 5.477 -16.100 -1.556 283 H SER 35 H SER 35 0.613 -10.983 -4.268 284 HA SER 35 HA SER 35 3.286 -10.500 -5.047 285 HB2 SER 35 HB2 SER 35 0.885 -10.482 -6.877 286 HB3 SER 35 HB3 SER 35 2.539 -10.970 -7.254 287 HG SER 35 HG SER 35 2.089 -12.903 -6.560 288 H CYS 36 H CYS 36 0.439 -8.784 -6.271 289 HA CYS 36 HA CYS 36 0.156 -6.682 -7.075 290 HB2 CYS 36 HB2 CYS 36 1.389 -6.094 -4.388 291 HB3 CYS 36 HB3 CYS 36 0.462 -4.945 -5.347 292 HG CYS 36 HG CYS 36 -1.899 -5.727 -4.657 293 H MET 37 H MET 37 3.028 -5.732 -5.273 294 HA MET 37 HA MET 37 3.954 -4.055 -7.343 295 HB2 MET 37 HB2 MET 37 5.441 -5.135 -4.942 296 HB3 MET 37 HB3 MET 37 5.973 -3.796 -5.948 297 HG2 MET 37 HG2 MET 37 4.054 -2.486 -5.274 298 HG3 MET 37 HG3 MET 37 3.436 -3.841 -4.333 299 HE1 MET 37 HE1 MET 37 3.806 -0.909 -3.136 300 HE2 MET 37 HE2 MET 37 4.515 -1.282 -1.564 301 HE3 MET 37 HE3 MET 37 3.203 -2.277 -2.196 302 H ARG 38 H ARG 38 4.580 -7.364 -6.513 303 HA ARG 38 HA ARG 38 6.959 -7.749 -7.961 304 HB2 ARG 38 HB2 ARG 38 4.925 -9.444 -6.694 305 HB3 ARG 38 HB3 ARG 38 5.739 -10.198 -8.058 306 HG2 ARG 38 HG2 ARG 38 6.824 -10.724 -5.931 307 HG3 ARG 38 HG3 ARG 38 7.895 -9.840 -7.016 308 HD2 ARG 38 HD2 ARG 38 8.143 -8.972 -4.792 309 HD3 ARG 38 HD3 ARG 38 7.352 -7.760 -5.797 310 HE ARG 38 HE ARG 38 5.475 -9.388 -4.385 311 HH11 ARG 38 HH11 ARG 38 7.651 -6.643 -4.022 312 HH12 ARG 38 HH12 ARG 38 6.726 -5.936 -2.733 313 HH21 ARG 38 HH21 ARG 38 4.254 -8.439 -2.714 314 HH22 ARG 38 HH22 ARG 38 4.797 -6.961 -1.973 315 H LYS 39 H LYS 39 3.638 -7.517 -9.013 316 HA LYS 39 HA LYS 39 4.210 -8.684 -11.598 317 HB2 LYS 39 HB2 LYS 39 2.037 -9.031 -10.447 318 HB3 LYS 39 HB3 LYS 39 1.728 -7.307 -10.539 319 HG2 LYS 39 HG2 LYS 39 2.168 -8.969 -12.995 320 HG3 LYS 39 HG3 LYS 39 0.584 -8.807 -12.237 321 HD2 LYS 39 HD2 LYS 39 2.289 -6.523 -13.229 322 HD3 LYS 39 HD3 LYS 39 0.915 -7.215 -14.072 323 HE2 LYS 39 HE2 LYS 39 0.750 -6.009 -11.324 324 HE3 LYS 39 HE3 LYS 39 0.424 -5.108 -12.803 325 HZ1 LYS 39 HZ1 LYS 39 -1.594 -5.967 -11.737 326 HZ2 LYS 39 HZ2 LYS 39 -1.039 -7.554 -11.952 327 HZ3 LYS 39 HZ3 LYS 39 -1.389 -6.587 -13.301 328 H PHE 40 H PHE 40 3.941 -5.587 -10.056 329 HA PHE 40 HA PHE 40 3.668 -4.003 -12.416 330 HB2 PHE 40 HB2 PHE 40 2.969 -3.347 -10.083 331 HB3 PHE 40 HB3 PHE 40 4.669 -3.142 -9.694 332 HD1 PHE 40 HD1 PHE 40 2.047 -1.961 -12.048 333 HD2 PHE 40 HD2 PHE 40 5.704 -1.098 -10.049 334 HE1 PHE 40 HE1 PHE 40 1.942 0.355 -12.868 335 HE2 PHE 40 HE2 PHE 40 5.606 1.221 -10.867 336 HZ PHE 40 HZ PHE 40 3.722 1.950 -12.277 337 H LYS 41 H LYS 41 6.181 -5.729 -11.143 338 HA LYS 41 HA LYS 41 8.353 -5.998 -11.734 339 HB2 LYS 41 HB2 LYS 41 7.585 -5.151 -14.018 340 HB3 LYS 41 HB3 LYS 41 8.167 -3.570 -13.516 341 HG2 LYS 41 HG2 LYS 41 10.411 -4.570 -13.162 342 HG3 LYS 41 HG3 LYS 41 9.795 -6.085 -13.830 343 HD2 LYS 41 HD2 LYS 41 9.169 -4.805 -15.898 344 HD3 LYS 41 HD3 LYS 41 10.026 -3.419 -15.220 345 HE2 LYS 41 HE2 LYS 41 12.057 -4.898 -15.055 346 HE3 LYS 41 HE3 LYS 41 11.168 -6.097 -15.994 347 HZ1 LYS 41 HZ1 LYS 41 11.942 -3.362 -16.842 348 HZ2 LYS 41 HZ2 LYS 41 10.885 -4.347 -17.728 349 HZ3 LYS 41 HZ3 LYS 41 12.492 -4.827 -17.487 350 H GLU 42 H GLU 42 9.380 -5.620 -9.922 351 HA GLU 42 HA GLU 42 9.327 -3.104 -8.597 352 HB2 GLU 42 HB2 GLU 42 10.956 -5.587 -8.049 353 HB3 GLU 42 HB3 GLU 42 10.835 -4.207 -6.968 354 HG2 GLU 42 HG2 GLU 42 8.398 -4.592 -6.812 355 HG3 GLU 42 HG3 GLU 42 8.597 -6.037 -7.803 356 H TYR 43 H TYR 43 11.662 -2.579 -7.548 357 HA TYR 43 HA TYR 43 13.517 -1.344 -7.825 358 HB2 TYR 43 HB2 TYR 43 13.930 -3.216 -10.158 359 HB3 TYR 43 HB3 TYR 43 15.130 -2.038 -9.624 360 HD1 TYR 43 HD1 TYR 43 16.046 -2.211 -7.287 361 HD2 TYR 43 HD2 TYR 43 13.691 -5.292 -9.036 362 HE1 TYR 43 HE1 TYR 43 16.851 -3.784 -5.582 363 HE2 TYR 43 HE2 TYR 43 14.494 -6.876 -7.333 364 HH TYR 43 HH TYR 43 16.164 -5.854 -4.526 365 H CYS 44 H CYS 44 12.533 0.545 -8.121 366 HA CYS 44 HA CYS 44 12.565 1.755 -10.726 367 HB2 CYS 44 HB2 CYS 44 10.364 0.473 -10.568 368 HB3 CYS 44 HB3 CYS 44 9.924 1.553 -9.251 369 HG CYS 44 HG CYS 44 10.761 2.821 -12.302 370 H GLU 45 H GLU 45 10.977 3.980 -10.073 371 HA GLU 45 HA GLU 45 12.682 5.534 -8.533 372 HB2 GLU 45 HB2 GLU 45 9.785 5.896 -9.265 373 HB3 GLU 45 HB3 GLU 45 10.642 7.080 -8.290 374 HG2 GLU 45 HG2 GLU 45 10.668 7.826 -10.539 375 HG3 GLU 45 HG3 GLU 45 12.299 7.299 -10.131 376 H GLY 46 H GLY 46 13.119 5.539 -6.467 377 HA2 GLY 46 HA2 GLY 46 11.490 4.113 -4.569 378 HA3 GLY 46 HA3 GLY 46 12.977 4.987 -4.224 379 H LEU 47 H LEU 47 9.555 5.431 -4.950 380 HA LEU 47 HA LEU 47 9.338 8.124 -4.236 381 HB2 LEU 47 HB2 LEU 47 7.608 6.726 -5.412 382 HB3 LEU 47 HB3 LEU 47 7.224 6.000 -3.862 383 HG LEU 47 HG LEU 47 6.615 8.270 -3.011 384 HD11 LEU 47 HD11 LEU 47 6.224 10.045 -4.655 385 HD12 LEU 47 HD12 LEU 47 6.955 9.038 -5.908 386 HD13 LEU 47 HD13 LEU 47 7.931 9.609 -4.553 387 HD21 LEU 47 HD21 LEU 47 4.917 6.707 -3.804 388 HD22 LEU 47 HD22 LEU 47 5.118 7.313 -5.448 389 HD23 LEU 47 HD23 LEU 47 4.479 8.372 -4.192 390 H GLN 48 H GLN 48 9.394 9.143 -2.351 391 HA GLN 48 HA GLN 48 10.157 7.680 -0.025 392 HB2 GLN 48 HB2 GLN 48 9.607 10.620 -0.426 393 HB3 GLN 48 HB3 GLN 48 10.299 9.919 1.026 394 HG2 GLN 48 HG2 GLN 48 11.529 9.835 -1.719 395 HG3 GLN 48 HG3 GLN 48 12.009 10.904 -0.403 396 HE21 GLN 48 HE21 GLN 48 12.073 7.655 -1.632 397 HE22 GLN 48 HE22 GLN 48 13.231 7.039 -0.506 398 H PHE 49 H PHE 49 9.174 8.348 2.129 399 HA PHE 49 HA PHE 49 6.562 7.269 2.203 400 HB2 PHE 49 HB2 PHE 49 8.048 8.738 4.397 401 HB3 PHE 49 HB3 PHE 49 6.660 7.682 4.614 402 HD1 PHE 49 HD2 PHE 49 10.211 7.745 3.560 403 HD2 PHE 49 HD1 PHE 49 6.936 5.374 4.896 404 HE1 PHE 49 HE2 PHE 49 11.730 5.835 3.882 405 HE2 PHE 49 HE1 PHE 49 8.451 3.463 5.224 406 HZ PHE 49 HZ PHE 49 10.849 3.692 4.716 407 H HIS 50 H HIS 50 7.817 10.532 2.778 408 HA HIS 50 HA HIS 50 5.264 11.613 3.464 409 HB2 HIS 50 HB2 HIS 50 7.565 12.450 4.209 410 HB3 HIS 50 HB3 HIS 50 7.687 13.198 2.621 411 HD1 HIS 50 HD1 HIS 50 6.627 15.433 2.336 412 HD2 HIS 50 HD2 HIS 50 5.363 13.503 5.800 413 HE1 HIS 50 HE1 HIS 50 5.271 17.130 3.607 414 HE2 HIS 50 HE2 HIS 50 4.688 16.002 5.785 415 H GLU 51 H GLU 51 6.661 10.803 0.529 416 HA GLU 51 HA GLU 51 5.510 12.935 -1.042 417 HB2 GLU 51 HB2 GLU 51 6.881 10.353 -1.806 418 HB3 GLU 51 HB3 GLU 51 6.290 11.529 -2.973 419 HG2 GLU 51 HG2 GLU 51 8.344 12.100 -0.849 420 HG3 GLU 51 HG3 GLU 51 8.705 11.726 -2.536 421 H LEU 52 H LEU 52 4.399 10.096 0.351 422 HA LEU 52 HA LEU 52 2.464 9.392 -1.657 423 HB2 LEU 52 HB2 LEU 52 3.626 8.044 0.379 424 HB3 LEU 52 HB3 LEU 52 2.115 8.491 1.144 425 HG LEU 52 HG LEU 52 2.031 6.246 0.153 426 HD11 LEU 52 HD11 LEU 52 -0.042 6.519 -1.102 427 HD12 LEU 52 HD12 LEU 52 0.272 8.249 -1.241 428 HD13 LEU 52 HD13 LEU 52 -0.021 7.530 0.342 429 HD21 LEU 52 HD21 LEU 52 3.601 6.641 -1.688 430 HD22 LEU 52 HD22 LEU 52 2.403 7.669 -2.479 431 HD23 LEU 52 HD23 LEU 52 2.080 5.950 -2.251 432 H THR 53 H THR 53 1.029 10.994 -2.056 433 HA THR 53 HA THR 53 -0.220 12.351 0.241 434 HB THR 53 HB THR 53 -0.676 14.209 -1.387 435 HG1 THR 53 HG1 THR 53 1.283 13.481 -3.132 436 HG21 THR 53 HG21 THR 53 2.230 13.467 -1.034 437 HG22 THR 53 HG22 THR 53 1.232 14.304 0.155 438 HG23 THR 53 HG23 THR 53 1.608 15.077 -1.385 439 H GLU 54 H GLU 54 -2.368 13.468 -0.622 440 HA GLU 54 HA GLU 54 -4.242 11.408 -1.158 441 HB2 GLU 54 HB2 GLU 54 -4.775 13.459 0.131 442 HB3 GLU 54 HB3 GLU 54 -4.575 14.413 -1.331 443 HG2 GLU 54 HG2 GLU 54 -6.403 12.527 -2.100 444 HG3 GLU 54 HG3 GLU 54 -6.846 12.837 -0.420 445 H ASP 55 H ASP 55 -2.719 13.932 -3.084 446 HA ASP 55 HA ASP 55 -4.126 13.635 -5.474 447 HB2 ASP 55 HB2 ASP 55 -2.599 15.470 -5.229 448 HB3 ASP 55 HB3 ASP 55 -1.239 14.377 -4.983 449 H PHE 56 H PHE 56 -1.327 11.867 -4.238 450 HA PHE 56 HA PHE 56 -0.873 10.237 -6.469 451 HB2 PHE 56 HB2 PHE 56 0.699 10.370 -4.583 452 HB3 PHE 56 HB3 PHE 56 -0.478 9.581 -3.538 453 HD1 PHE 56 HD1 PHE 56 1.920 9.120 -6.258 454 HD2 PHE 56 HD2 PHE 56 -0.905 7.202 -3.713 455 HE1 PHE 56 HE1 PHE 56 2.827 6.928 -6.903 456 HE2 PHE 56 HE2 PHE 56 0.001 5.009 -4.357 457 HZ PHE 56 HZ PHE 56 1.870 4.870 -5.954 458 H LEU 57 H LEU 57 -2.844 9.616 -3.559 459 HA LEU 57 HA LEU 57 -3.853 7.133 -4.291 460 HB2 LEU 57 HB2 LEU 57 -4.720 9.319 -2.479 461 HB3 LEU 57 HB3 LEU 57 -5.905 8.091 -2.879 462 HG LEU 57 HG LEU 57 -4.681 7.689 -0.754 463 HD11 LEU 57 HD11 LEU 57 -4.262 5.316 -1.166 464 HD12 LEU 57 HD12 LEU 57 -4.294 5.614 -2.904 465 HD13 LEU 57 HD13 LEU 57 -5.752 5.855 -1.942 466 HD21 LEU 57 HD21 LEU 57 -2.498 8.524 -1.378 467 HD22 LEU 57 HD22 LEU 57 -2.334 7.248 -2.586 468 HD23 LEU 57 HD23 LEU 57 -2.389 6.839 -0.871 469 H ARG 58 H ARG 58 -5.273 10.351 -4.811 470 HA ARG 58 HA ARG 58 -7.638 9.475 -6.020 471 HB2 ARG 58 HB2 ARG 58 -7.347 11.746 -5.155 472 HB3 ARG 58 HB3 ARG 58 -6.152 12.081 -6.395 473 HG2 ARG 58 HG2 ARG 58 -8.894 11.265 -7.226 474 HG3 ARG 58 HG3 ARG 58 -8.620 12.907 -6.645 475 HD2 ARG 58 HD2 ARG 58 -6.917 13.250 -8.334 476 HD3 ARG 58 HD3 ARG 58 -7.088 11.585 -8.878 477 HE ARG 58 HE ARG 58 -9.575 12.491 -9.221 478 HH11 ARG 58 HH11 ARG 58 -6.485 13.928 -10.033 479 HH12 ARG 58 HH12 ARG 58 -7.087 14.736 -11.451 480 HH21 ARG 58 HH21 ARG 58 -10.370 13.561 -11.090 481 HH22 ARG 58 HH22 ARG 58 -9.290 14.526 -12.054 482 H ASP 59 H ASP 59 -4.584 10.514 -7.529 483 HA ASP 59 HA ASP 59 -5.529 10.192 -10.192 484 HB2 ASP 59 HB2 ASP 59 -3.633 11.662 -9.570 485 HB3 ASP 59 HB3 ASP 59 -2.676 10.233 -9.188 486 H TYR 60 H TYR 60 -3.698 8.124 -7.996 487 HA TYR 60 HA TYR 60 -3.102 6.124 -9.933 488 HB2 TYR 60 HB2 TYR 60 -1.963 6.611 -7.645 489 HB3 TYR 60 HB3 TYR 60 -3.237 5.599 -6.977 490 HD1 TYR 60 HD2 TYR 60 -0.964 5.416 -9.947 491 HD2 TYR 60 HD1 TYR 60 -2.545 3.453 -6.518 492 HE1 TYR 60 HE2 TYR 60 0.364 3.420 -10.485 493 HE2 TYR 60 HE1 TYR 60 -1.218 1.451 -7.047 494 HH TYR 60 HH TYR 60 -0.142 0.416 -8.998 495 H LEU 61 H LEU 61 -5.691 6.639 -7.623 496 HA LEU 61 HA LEU 61 -6.985 4.153 -7.868 497 HB2 LEU 61 HB2 LEU 61 -7.564 5.668 -6.103 498 HB3 LEU 61 HB3 LEU 61 -8.047 6.903 -7.244 499 HG LEU 61 HG LEU 61 -9.918 5.438 -7.975 500 HD11 LEU 61 HD11 LEU 61 -8.988 3.282 -7.358 501 HD12 LEU 61 HD12 LEU 61 -10.539 3.538 -6.558 502 HD13 LEU 61 HD13 LEU 61 -9.039 3.728 -5.652 503 HD21 LEU 61 HD21 LEU 61 -9.840 6.105 -5.033 504 HD22 LEU 61 HD22 LEU 61 -11.296 5.794 -5.980 505 HD23 LEU 61 HD23 LEU 61 -10.292 7.198 -6.342 506 H ILE 62 H ILE 62 -7.542 7.230 -9.552 507 HA ILE 62 HA ILE 62 -9.544 6.355 -11.296 508 HB ILE 62 HB ILE 62 -7.422 8.462 -11.761 509 HG12 ILE 62 HG12 ILE 62 -8.839 8.910 -9.817 510 HG13 ILE 62 HG13 ILE 62 -9.196 10.040 -11.116 511 HG21 ILE 62 HG21 ILE 62 -8.367 7.748 -13.881 512 HG22 ILE 62 HG22 ILE 62 -8.922 9.371 -13.469 513 HG23 ILE 62 HG23 ILE 62 -9.998 7.991 -13.252 514 HD11 ILE 62 HD11 ILE 62 -11.185 8.750 -11.695 515 HD12 ILE 62 HD12 ILE 62 -11.225 9.286 -10.015 516 HD13 ILE 62 HD13 ILE 62 -10.825 7.612 -10.397 517 H TYR 63 H TYR 63 -6.030 6.402 -11.723 518 HA TYR 63 HA TYR 63 -5.877 5.316 -14.292 519 HB2 TYR 63 HB2 TYR 63 -3.992 6.319 -12.985 520 HB3 TYR 63 HB3 TYR 63 -3.947 4.861 -12.005 521 HD1 TYR 63 HD1 TYR 63 -3.456 6.163 -15.434 522 HD2 TYR 63 HD2 TYR 63 -2.766 2.945 -12.737 523 HE1 TYR 63 HE1 TYR 63 -1.879 5.170 -17.032 524 HE2 TYR 63 HE2 TYR 63 -1.187 1.939 -14.333 525 HH TYR 63 HH TYR 63 0.016 3.633 -17.031 526 H MET 64 H MET 64 -6.046 3.763 -11.137 527 HA MET 64 HA MET 64 -5.723 1.102 -12.081 528 HB2 MET 64 HB2 MET 64 -5.294 1.840 -9.743 529 HB3 MET 64 HB3 MET 64 -7.025 2.068 -9.530 530 HG2 MET 64 HG2 MET 64 -7.456 -0.229 -9.720 531 HG3 MET 64 HG3 MET 64 -5.840 -0.554 -10.326 532 HE1 MET 64 HE1 MET 64 -4.663 1.789 -8.010 533 HE2 MET 64 HE2 MET 64 -3.705 0.462 -8.673 534 HE3 MET 64 HE3 MET 64 -3.901 0.618 -6.929 535 H LYS 65 H LYS 65 -8.490 3.083 -11.279 536 HA LYS 65 HA LYS 65 -10.503 1.159 -11.608 537 HB2 LYS 65 HB2 LYS 65 -10.466 3.670 -10.686 538 HB3 LYS 65 HB3 LYS 65 -11.061 4.001 -12.305 539 HG2 LYS 65 HG2 LYS 65 -12.338 2.054 -10.398 540 HG3 LYS 65 HG3 LYS 65 -12.837 3.734 -10.596 541 HD2 LYS 65 HD2 LYS 65 -13.348 3.304 -12.945 542 HD3 LYS 65 HD3 LYS 65 -12.829 1.628 -12.760 543 HE2 LYS 65 HE2 LYS 65 -14.597 1.255 -11.126 544 HE3 LYS 65 HE3 LYS 65 -15.094 2.942 -11.267 545 HZ1 LYS 65 HZ1 LYS 65 -16.488 1.438 -12.574 546 HZ2 LYS 65 HZ2 LYS 65 -15.137 0.963 -13.485 547 HZ3 LYS 65 HZ3 LYS 65 -15.689 2.564 -13.555 548 H LYS 66 H LYS 66 -9.110 3.488 -13.922 549 HA LYS 66 HA LYS 66 -10.860 2.619 -16.042 550 HB2 LYS 66 HB2 LYS 66 -8.439 4.425 -16.072 551 HB3 LYS 66 HB3 LYS 66 -9.486 4.138 -17.447 552 HG2 LYS 66 HG2 LYS 66 -10.265 5.450 -14.856 553 HG3 LYS 66 HG3 LYS 66 -10.002 6.252 -16.404 554 HD2 LYS 66 HD2 LYS 66 -11.846 4.698 -17.293 555 HD3 LYS 66 HD3 LYS 66 -12.228 4.405 -15.596 556 HE2 LYS 66 HE2 LYS 66 -12.346 6.993 -17.124 557 HE3 LYS 66 HE3 LYS 66 -13.648 6.162 -16.275 558 HZ1 LYS 66 HZ1 LYS 66 -11.326 7.553 -15.060 559 HZ2 LYS 66 HZ2 LYS 66 -12.427 6.607 -14.181 560 HZ3 LYS 66 HZ3 LYS 66 -12.956 8.013 -14.968 561 H THR 67 H THR 67 -7.306 2.615 -15.704 562 HA THR 67 HA THR 67 -7.007 1.041 -18.064 563 HB THR 67 HB THR 67 -4.920 1.774 -16.003 564 HG1 THR 67 HG1 THR 67 -5.857 3.114 -18.345 565 HG21 THR 67 HG21 THR 67 -4.659 0.976 -18.906 566 HG22 THR 67 HG22 THR 67 -4.207 -0.015 -17.518 567 HG23 THR 67 HG23 THR 67 -3.337 1.482 -17.852 568 H LEU 68 H LEU 68 -6.612 0.405 -14.595 569 HA LEU 68 HA LEU 68 -5.846 -2.339 -15.145 570 HB2 LEU 68 HB2 LEU 68 -6.261 -0.935 -12.507 571 HB3 LEU 68 HB3 LEU 68 -5.586 -2.540 -12.718 572 HG LEU 68 HG LEU 68 -4.339 0.025 -13.715 573 HD11 LEU 68 HD11 LEU 68 -3.544 -1.791 -11.447 574 HD12 LEU 68 HD12 LEU 68 -4.250 -0.184 -11.288 575 HD13 LEU 68 HD13 LEU 68 -2.651 -0.378 -12.006 576 HD21 LEU 68 HD21 LEU 68 -2.406 -1.379 -14.244 577 HD22 LEU 68 HD22 LEU 68 -3.828 -1.856 -15.173 578 HD23 LEU 68 HD23 LEU 68 -3.319 -2.813 -13.780 579 H CYS 69 H CYS 69 -8.689 -0.596 -14.663 580 HA CYS 69 HA CYS 69 -10.862 -1.219 -14.776 581 HB2 CYS 69 HB2 CYS 69 -9.753 -3.998 -15.212 582 HB3 CYS 69 HB3 CYS 69 -11.417 -3.501 -15.499 583 HG CYS 69 HG CYS 69 -8.919 -1.874 -17.122 584 H ASN 70 H ASN 70 -9.386 -1.264 -12.192 585 HA ASN 70 HA ASN 70 -10.900 -3.309 -10.725 586 HB2 ASN 70 HB2 ASN 70 -8.564 -1.566 -9.951 587 HB3 ASN 70 HB3 ASN 70 -9.495 -2.457 -8.753 588 HD21 ASN 70 HD21 ASN 70 -7.341 -2.714 -11.470 589 HD22 ASN 70 HD22 ASN 70 -6.890 -4.357 -11.208 590 H ALA 71 H ALA 71 -12.185 -2.754 -8.902 591 HA ALA 71 HA ALA 71 -13.413 -0.112 -9.137 592 HB1 ALA 71 HB1 ALA 71 -15.210 -1.042 -7.762 593 HB2 ALA 71 HB2 ALA 71 -14.299 -2.542 -7.579 594 HB3 ALA 71 HB3 ALA 71 -14.893 -2.059 -9.168 595 H ASP 72 H ASP 72 -14.334 0.507 -6.740 596 HA ASP 72 HA ASP 72 -12.173 1.665 -5.442 597 HB2 ASP 72 HB2 ASP 72 -14.905 1.064 -4.292 598 HB3 ASP 72 HB3 ASP 72 -13.736 2.185 -3.605 599 H SER 73 H SER 73 -14.140 -1.077 -4.261 600 HA SER 73 HA SER 73 -12.529 -1.541 -1.996 601 HB2 SER 73 HB2 SER 73 -14.393 -3.420 -3.461 602 HB3 SER 73 HB3 SER 73 -13.723 -3.706 -1.853 603 HG SER 73 HG SER 73 -14.715 -1.443 -1.492 604 H THR 74 H THR 74 -12.386 -2.787 -5.277 605 HA THR 74 HA THR 74 -10.504 -4.845 -4.757 606 HB THR 74 HB THR 74 -10.520 -3.583 -7.442 607 HG1 THR 74 HG1 THR 74 -12.823 -4.902 -6.354 608 HG21 THR 74 HG21 THR 74 -10.911 -6.408 -6.439 609 HG22 THR 74 HG22 THR 74 -9.408 -5.715 -7.048 610 HG23 THR 74 HG23 THR 74 -10.781 -5.936 -8.135 611 H ALA 75 H ALA 75 -10.264 -1.479 -5.810 612 HA ALA 75 HA ALA 75 -7.465 -1.411 -6.186 613 HB1 ALA 75 HB1 ALA 75 -9.358 0.827 -5.445 614 HB2 ALA 75 HB2 ALA 75 -8.946 0.309 -7.081 615 HB3 ALA 75 HB3 ALA 75 -7.711 1.026 -6.046 616 H GLN 76 H GLN 76 -9.518 -0.687 -3.391 617 HA GLN 76 HA GLN 76 -7.548 0.178 -1.632 618 HB2 GLN 76 HB2 GLN 76 -10.183 -1.218 -1.233 619 HB3 GLN 76 HB3 GLN 76 -9.182 -0.730 0.114 620 HG2 GLN 76 HG2 GLN 76 -10.234 1.145 -1.986 621 HG3 GLN 76 HG3 GLN 76 -10.984 0.877 -0.414 622 HE21 GLN 76 HE21 GLN 76 -8.349 2.323 -2.122 623 HE22 GLN 76 HE22 GLN 76 -7.732 3.256 -0.806 624 H ARG 77 H ARG 77 -8.564 -3.074 -2.512 625 HA ARG 77 HA ARG 77 -7.126 -4.486 -0.544 626 HB2 ARG 77 HB2 ARG 77 -7.999 -5.250 -3.331 627 HB3 ARG 77 HB3 ARG 77 -7.212 -6.378 -2.236 628 HG2 ARG 77 HG2 ARG 77 -9.824 -4.965 -1.727 629 HG3 ARG 77 HG3 ARG 77 -9.629 -6.650 -2.222 630 HD2 ARG 77 HD2 ARG 77 -8.322 -7.056 -0.171 631 HD3 ARG 77 HD3 ARG 77 -8.640 -5.398 0.336 632 HE ARG 77 HE ARG 77 -10.943 -7.119 -0.224 633 HH11 ARG 77 HH11 ARG 77 -8.906 -5.500 2.140 634 HH12 ARG 77 HH12 ARG 77 -10.030 -5.742 3.443 635 HH21 ARG 77 HH21 ARG 77 -12.408 -7.432 1.499 636 HH22 ARG 77 HH22 ARG 77 -12.022 -6.823 3.083 637 H ASN 78 H ASN 78 -6.248 -3.424 -3.796 638 HA ASN 78 HA ASN 78 -3.641 -4.544 -3.764 639 HB2 ASN 78 HB2 ASN 78 -4.935 -4.051 -5.817 640 HB3 ASN 78 HB3 ASN 78 -4.810 -2.334 -5.459 641 HD21 ASN 78 HD21 ASN 78 -3.752 -1.851 -7.307 642 HD22 ASN 78 HD22 ASN 78 -2.121 -2.314 -7.595 643 H LEU 79 H LEU 79 -4.995 -1.373 -3.104 644 HA LEU 79 HA LEU 79 -2.569 0.043 -2.875 645 HB2 LEU 79 HB2 LEU 79 -5.333 0.569 -1.819 646 HB3 LEU 79 HB3 LEU 79 -4.005 1.683 -1.576 647 HG LEU 79 HG LEU 79 -5.102 0.831 -4.260 648 HD11 LEU 79 HD11 LEU 79 -5.945 3.116 -4.403 649 HD12 LEU 79 HD12 LEU 79 -5.368 3.435 -2.767 650 HD13 LEU 79 HD13 LEU 79 -6.652 2.256 -3.034 651 HD21 LEU 79 HD21 LEU 79 -3.656 2.593 -5.158 652 HD22 LEU 79 HD22 LEU 79 -2.717 1.336 -4.354 653 HD23 LEU 79 HD23 LEU 79 -3.002 2.877 -3.545 654 H SER 80 H SER 80 -4.225 -2.032 -0.678 655 HA SER 80 HA SER 80 -3.359 -1.237 1.796 656 HB2 SER 80 HB2 SER 80 -3.567 -4.050 0.712 657 HB3 SER 80 HB3 SER 80 -3.371 -3.659 2.421 658 HG SER 80 HG SER 80 -5.339 -2.188 1.770 659 H THR 81 H THR 81 -1.425 -2.735 -0.732 660 HA THR 81 HA THR 81 0.793 -3.454 0.862 661 HB THR 81 HB THR 81 2.083 -3.364 -1.295 662 HG1 THR 81 HG1 THR 81 -0.369 -2.909 -2.628 663 HG21 THR 81 HG21 THR 81 -0.555 -4.835 -1.418 664 HG22 THR 81 HG22 THR 81 0.893 -5.399 -0.585 665 HG23 THR 81 HG23 THR 81 0.897 -5.224 -2.339 666 H ILE 82 H ILE 82 0.127 -0.555 -1.055 667 HA ILE 82 HA ILE 82 2.467 0.855 -0.266 668 HB ILE 82 HB ILE 82 -0.165 1.919 -1.319 669 HG12 ILE 82 HG12 ILE 82 2.394 1.264 -2.795 670 HG13 ILE 82 HG13 ILE 82 0.942 0.270 -2.807 671 HG21 ILE 82 HG21 ILE 82 1.144 3.668 -0.248 672 HG22 ILE 82 HG22 ILE 82 1.129 3.891 -1.998 673 HG23 ILE 82 HG23 ILE 82 2.555 3.219 -1.208 674 HD11 ILE 82 HD11 ILE 82 1.164 3.079 -3.860 675 HD12 ILE 82 HD12 ILE 82 -0.290 2.082 -3.877 676 HD13 ILE 82 HD13 ILE 82 1.118 1.605 -4.827 677 H LYS 83 H LYS 83 -0.831 0.666 0.916 678 HA LYS 83 HA LYS 83 -0.835 2.679 2.816 679 HB2 LYS 83 HB2 LYS 83 -2.870 1.551 2.406 680 HB3 LYS 83 HB3 LYS 83 -2.162 -0.022 2.746 681 HG2 LYS 83 HG2 LYS 83 -1.931 0.641 5.116 682 HG3 LYS 83 HG3 LYS 83 -2.754 2.156 4.740 683 HD2 LYS 83 HD2 LYS 83 -4.739 0.985 4.111 684 HD3 LYS 83 HD3 LYS 83 -3.930 -0.575 4.249 685 HE2 LYS 83 HE2 LYS 83 -3.654 -0.213 6.650 686 HE3 LYS 83 HE3 LYS 83 -4.447 1.357 6.508 687 HZ1 LYS 83 HZ1 LYS 83 -5.716 -1.248 5.842 688 HZ2 LYS 83 HZ2 LYS 83 -6.471 0.273 5.834 689 HZ3 LYS 83 HZ3 LYS 83 -5.941 -0.407 7.298 690 H ILE 84 H ILE 84 0.448 -0.606 3.098 691 HA ILE 84 HA ILE 84 0.857 -0.659 5.843 692 HB ILE 84 HB ILE 84 2.486 -1.979 3.665 693 HG12 ILE 84 HG12 ILE 84 0.133 -2.658 3.716 694 HG13 ILE 84 HG13 ILE 84 1.176 -3.977 4.240 695 HG21 ILE 84 HG21 ILE 84 3.823 -1.856 5.678 696 HG22 ILE 84 HG22 ILE 84 3.284 -3.514 5.411 697 HG23 ILE 84 HG23 ILE 84 2.492 -2.516 6.629 698 HD11 ILE 84 HD11 ILE 84 -0.424 -2.171 6.039 699 HD12 ILE 84 HD12 ILE 84 0.614 -3.499 6.561 700 HD13 ILE 84 HD13 ILE 84 -0.826 -3.832 5.600 701 H TYR 85 H TYR 85 3.190 0.488 3.333 702 HA TYR 85 HA TYR 85 5.180 0.891 5.347 703 HB2 TYR 85 HB2 TYR 85 6.644 1.334 3.656 704 HB3 TYR 85 HB3 TYR 85 5.442 0.428 2.766 705 HD1 TYR 85 HD1 TYR 85 6.915 3.731 3.332 706 HD2 TYR 85 HD2 TYR 85 4.089 1.507 1.067 707 HE1 TYR 85 HE1 TYR 85 6.771 5.576 1.720 708 HE2 TYR 85 HE2 TYR 85 3.928 3.354 -0.552 709 HH TYR 85 HH TYR 85 6.134 5.981 -0.564 710 H VAL 86 H VAL 86 2.732 2.865 3.867 711 HA VAL 86 HA VAL 86 3.712 5.353 4.910 712 HB VAL 86 HB VAL 86 0.954 4.583 3.936 713 HG11 VAL 86 HG11 VAL 86 0.885 6.540 5.407 714 HG12 VAL 86 HG12 VAL 86 0.542 6.985 3.735 715 HG13 VAL 86 HG13 VAL 86 2.129 7.320 4.428 716 HG21 VAL 86 HG21 VAL 86 1.594 5.721 1.872 717 HG22 VAL 86 HG22 VAL 86 2.671 4.367 2.221 718 HG23 VAL 86 HG23 VAL 86 3.203 6.020 2.533 719 H SER 87 H SER 87 1.205 3.043 5.809 720 HA SER 87 HA SER 87 0.148 4.445 7.989 721 HB2 SER 87 HB2 SER 87 0.022 1.628 6.999 722 HB3 SER 87 HB3 SER 87 -0.595 1.980 8.612 723 HG SER 87 HG SER 87 -1.384 3.144 6.149 724 H ALA 88 H ALA 88 2.811 2.120 7.807 725 HA ALA 88 HA ALA 88 3.178 1.818 10.594 726 HB1 ALA 88 HB1 ALA 88 4.188 0.318 8.941 727 HB2 ALA 88 HB2 ALA 88 5.400 0.990 10.031 728 HB3 ALA 88 HB3 ALA 88 5.235 1.626 8.392 729 H ALA 89 H ALA 89 4.294 4.195 8.279 730 HA ALA 89 HA ALA 89 6.083 5.503 10.097 731 HB1 ALA 89 HB1 ALA 89 6.440 5.573 7.670 732 HB2 ALA 89 HB2 ALA 89 6.314 7.188 8.369 733 HB3 ALA 89 HB3 ALA 89 4.947 6.498 7.494 734 H ILE 90 H ILE 90 2.727 5.798 9.242 735 HA ILE 90 HA ILE 90 2.300 8.338 10.396 736 HB ILE 90 HB ILE 90 0.333 6.056 10.081 737 HG12 ILE 90 HG12 ILE 90 0.780 8.489 8.341 738 HG13 ILE 90 HG13 ILE 90 1.352 6.871 7.959 739 HG21 ILE 90 HG21 ILE 90 -0.444 7.647 11.743 740 HG22 ILE 90 HG22 ILE 90 -1.403 7.785 10.268 741 HG23 ILE 90 HG23 ILE 90 -0.158 8.982 10.626 742 HD11 ILE 90 HD11 ILE 90 -0.966 6.083 7.889 743 HD12 ILE 90 HD12 ILE 90 -0.662 7.379 6.731 744 HD13 ILE 90 HD13 ILE 90 -1.518 7.722 8.234 745 H LYS 91 H LYS 91 2.083 5.056 11.665 746 HA LYS 91 HA LYS 91 1.077 5.752 14.204 747 HB2 LYS 91 HB2 LYS 91 0.938 3.471 13.306 748 HB3 LYS 91 HB3 LYS 91 2.691 3.326 13.384 749 HG2 LYS 91 HG2 LYS 91 1.536 2.197 15.244 750 HG3 LYS 91 HG3 LYS 91 2.643 3.461 15.786 751 HD2 LYS 91 HD2 LYS 91 0.736 5.006 15.987 752 HD3 LYS 91 HD3 LYS 91 -0.348 3.701 15.515 753 HE2 LYS 91 HE2 LYS 91 1.450 3.658 17.934 754 HE3 LYS 91 HE3 LYS 91 -0.260 4.085 17.965 755 HZ1 LYS 91 HZ1 LYS 91 0.922 1.454 17.249 756 HZ2 LYS 91 HZ2 LYS 91 -0.719 1.839 17.045 757 HZ3 LYS 91 HZ3 LYS 91 -0.042 1.820 18.598 758 H LYS 92 H LYS 92 4.381 5.267 13.017 759 HA LYS 92 HA LYS 92 5.581 5.577 15.570 760 HB2 LYS 92 HB2 LYS 92 6.698 4.454 13.657 761 HB3 LYS 92 HB3 LYS 92 6.858 6.019 12.867 762 HG2 LYS 92 HG2 LYS 92 8.923 5.315 14.005 763 HG3 LYS 92 HG3 LYS 92 8.274 6.824 14.658 764 HD2 LYS 92 HD2 LYS 92 7.105 5.343 16.395 765 HD3 LYS 92 HD3 LYS 92 8.199 4.068 15.858 766 HE2 LYS 92 HE2 LYS 92 10.114 5.364 16.490 767 HE3 LYS 92 HE3 LYS 92 9.106 6.770 16.837 768 HZ1 LYS 92 HZ1 LYS 92 9.184 4.202 18.325 769 HZ2 LYS 92 HZ2 LYS 92 8.003 5.393 18.574 770 HZ3 LYS 92 HZ3 LYS 92 9.630 5.739 18.893 771 H GLY 93 H GLY 93 4.742 7.826 12.998 772 HA2 GLY 93 HA2 GLY 93 4.071 10.049 13.800 773 HA3 GLY 93 HA3 GLY 93 5.482 10.013 14.843 774 H TYR 94 H TYR 94 5.976 8.729 11.714 775 HA TYR 94 HA TYR 94 7.562 11.054 10.986 776 HB2 TYR 94 HB2 TYR 94 8.507 8.804 10.616 777 HB3 TYR 94 HB3 TYR 94 7.177 8.425 9.525 778 HD1 TYR 94 HD1 TYR 94 10.053 10.737 9.981 779 HD2 TYR 94 HD2 TYR 94 7.327 8.954 7.243 780 HE1 TYR 94 HE1 TYR 94 11.340 11.668 8.104 781 HE2 TYR 94 HE2 TYR 94 8.608 9.880 5.361 782 HH TYR 94 HH TYR 94 11.710 11.292 5.754 783 H MET 95 H MET 95 4.837 9.178 9.694 784 HA MET 95 HA MET 95 4.173 11.364 7.894 785 HB2 MET 95 HB2 MET 95 3.144 8.557 8.226 786 HB3 MET 95 HB3 MET 95 2.280 9.742 7.265 787 HG2 MET 95 HG2 MET 95 5.114 8.853 6.807 788 HG3 MET 95 HG3 MET 95 3.706 8.309 5.898 789 HE1 MET 95 HE1 MET 95 2.397 9.747 4.155 790 HE2 MET 95 HE2 MET 95 2.614 11.486 3.959 791 HE3 MET 95 HE3 MET 95 1.962 10.842 5.466 792 H GLU 96 H GLU 96 3.175 12.973 8.834 793 HA GLU 96 HA GLU 96 1.681 12.592 11.266 794 HB2 GLU 96 HB2 GLU 96 2.264 15.077 9.653 795 HB3 GLU 96 HB3 GLU 96 1.527 15.051 11.250 796 HG2 GLU 96 HG2 GLU 96 3.516 14.148 12.226 797 HG3 GLU 96 HG3 GLU 96 4.247 13.930 10.637 798 H ASN 97 H ASN 97 1.010 13.333 7.918 799 HA ASN 97 HA ASN 97 -1.858 13.158 8.529 800 HB2 ASN 97 HB2 ASN 97 -0.444 14.806 6.435 801 HB3 ASN 97 HB3 ASN 97 -2.168 14.458 6.358 802 HD21 ASN 97 HD21 ASN 97 -2.665 14.573 9.156 803 HD22 ASN 97 HD22 ASN 97 -2.528 16.236 9.635 804 H ASP 98 H ASP 98 -3.022 11.698 7.477 805 HA ASP 98 HA ASP 98 -1.649 9.693 5.958 806 HB2 ASP 98 HB2 ASP 98 -3.981 8.668 5.937 807 HB3 ASP 98 HB3 ASP 98 -3.230 8.880 7.509 808 HA PRO 99 HA PRO 99 -2.742 11.171 1.962 809 HB2 PRO 99 HB2 PRO 99 -2.455 8.940 0.508 810 HB3 PRO 99 HB3 PRO 99 -1.079 9.720 1.292 811 HG2 PRO 99 HG2 PRO 99 -2.644 7.322 2.162 812 HG3 PRO 99 HG3 PRO 99 -0.890 7.585 2.190 813 HD2 PRO 99 HD2 PRO 99 -2.529 7.881 4.376 814 HD3 PRO 99 HD3 PRO 99 -0.973 8.711 4.177 815 H PHE 100 H PHE 100 -4.799 9.142 3.660 816 HA PHE 100 HA PHE 100 -6.759 9.072 1.466 817 HB2 PHE 100 HB2 PHE 100 -7.888 7.332 2.863 818 HB3 PHE 100 HB3 PHE 100 -6.337 6.893 2.185 819 HD1 PHE 100 HD1 PHE 100 -8.168 7.635 5.263 820 HD2 PHE 100 HD2 PHE 100 -4.430 6.461 3.592 821 HE1 PHE 100 HE1 PHE 100 -7.397 6.925 7.489 822 HE2 PHE 100 HE2 PHE 100 -3.656 5.755 5.816 823 HZ PHE 100 HZ PHE 100 -5.139 5.987 7.768 824 H LYS 101 H LYS 101 -5.983 11.082 3.440 825 HA LYS 101 HA LYS 101 -7.808 11.710 5.357 826 HB2 LYS 101 HB2 LYS 101 -5.827 13.092 3.732 827 HB3 LYS 101 HB3 LYS 101 -7.133 14.136 4.247 828 HG2 LYS 101 HG2 LYS 101 -5.540 12.403 6.101 829 HG3 LYS 101 HG3 LYS 101 -5.184 14.100 5.775 830 HD2 LYS 101 HD2 LYS 101 -7.179 14.824 6.777 831 HD3 LYS 101 HD3 LYS 101 -7.879 13.203 6.745 832 HE2 LYS 101 HE2 LYS 101 -6.513 12.453 8.483 833 HE3 LYS 101 HE3 LYS 101 -5.391 13.799 8.296 834 HZ1 LYS 101 HZ1 LYS 101 -6.875 15.264 9.307 835 HZ2 LYS 101 HZ2 LYS 101 -6.990 13.862 10.249 836 HZ3 LYS 101 HZ3 LYS 101 -8.201 14.223 9.120 837 H ASP 102 H ASP 102 -8.285 11.853 1.906 838 HA ASP 102 HA ASP 102 -10.379 13.789 1.959 839 HB2 ASP 102 HB2 ASP 102 -10.625 13.346 -0.370 840 HB3 ASP 102 HB3 ASP 102 -8.906 13.308 -0.020 841 H PHE 103 H PHE 103 -10.203 10.462 2.626 842 HA PHE 103 HA PHE 103 -12.934 9.819 2.033 843 HB2 PHE 103 HB2 PHE 103 -10.837 8.429 3.706 844 HB3 PHE 103 HB3 PHE 103 -12.469 7.802 3.506 845 HD1 PHE 103 HD2 PHE 103 -13.221 7.767 0.906 846 HD2 PHE 103 HD1 PHE 103 -9.233 7.509 2.367 847 HE1 PHE 103 HE2 PHE 103 -12.534 6.649 -1.175 848 HE2 PHE 103 HE1 PHE 103 -8.540 6.391 0.287 849 HZ PHE 103 HZ PHE 103 -10.194 5.960 -1.485 850 H GLY 104 H GLY 104 -11.284 11.388 4.596 851 HA2 GLY 104 HA2 GLY 104 -12.428 12.723 6.188 852 HA3 GLY 104 HA3 GLY 104 -13.840 11.693 5.991 853 H LEU 105 H LEU 105 -11.144 12.371 7.895 854 HA LEU 105 HA LEU 105 -11.346 9.791 9.263 855 HB2 LEU 105 HB2 LEU 105 -9.106 11.773 9.015 856 HB3 LEU 105 HB3 LEU 105 -9.157 10.666 10.372 857 HG LEU 105 HG LEU 105 -7.703 9.770 8.679 858 HD11 LEU 105 HD11 LEU 105 -8.741 7.601 8.296 859 HD12 LEU 105 HD12 LEU 105 -10.318 8.272 8.714 860 HD13 LEU 105 HD13 LEU 105 -9.048 8.176 9.935 861 HD21 LEU 105 HD21 LEU 105 -10.053 9.917 6.797 862 HD22 LEU 105 HD22 LEU 105 -8.477 9.208 6.440 863 HD23 LEU 105 HD23 LEU 105 -8.618 10.940 6.740 864 H GLU 106 H GLU 106 -11.147 9.860 11.580 865 HA GLU 106 HA GLU 106 -13.111 11.509 12.727 866 HB2 GLU 106 HB2 GLU 106 -10.995 9.970 14.234 867 HB3 GLU 106 HB3 GLU 106 -12.604 10.407 14.791 868 HG2 GLU 106 HG2 GLU 106 -11.993 8.479 12.564 869 HG3 GLU 106 HG3 GLU 106 -12.423 8.036 14.214 870 H HIS 107 H HIS 107 -12.987 13.494 13.572 871 HA HIS 107 HA HIS 107 -10.411 14.800 13.740 872 HB2 HIS 107 HB2 HIS 107 -13.222 15.794 14.224 873 HB3 HIS 107 HB3 HIS 107 -11.790 16.799 14.428 874 HD1 HIS 107 HD1 HIS 107 -14.241 15.840 11.957 875 HD2 HIS 107 HD2 HIS 107 -10.239 16.978 11.901 876 HE1 HIS 107 HE1 HIS 107 -13.756 16.498 9.583 877 HE2 HIS 107 HE2 HIS 107 -11.392 17.370 9.615 878 H HIS 108 H HIS 108 -9.680 13.283 15.391 879 HA HIS 108 HA HIS 108 -10.736 13.646 18.071 880 HB2 HIS 108 HB2 HIS 108 -9.833 11.449 17.052 881 HB3 HIS 108 HB3 HIS 108 -8.238 12.130 17.331 882 HD1 HIS 108 HD1 HIS 108 -10.971 10.346 18.962 883 HD2 HIS 108 HD2 HIS 108 -7.649 12.552 20.150 884 HE1 HIS 108 HE1 HIS 108 -10.597 9.760 21.378 885 HE2 HIS 108 HE2 HIS 108 -8.681 11.221 22.122 886 H HIS 109 H HIS 109 -10.289 15.953 18.014 887 HA HIS 109 HA HIS 109 -9.135 17.822 18.550 888 HB2 HIS 109 HB2 HIS 109 -7.238 15.757 19.560 889 HB3 HIS 109 HB3 HIS 109 -6.658 17.409 19.391 890 HD1 HIS 109 HD1 HIS 109 -7.702 15.398 21.950 891 HD2 HIS 109 HD2 HIS 109 -8.978 19.140 20.663 892 HE1 HIS 109 HE1 HIS 109 -8.807 16.462 23.945 893 HE2 HIS 109 HE2 HIS 109 -9.337 18.814 23.203 894 H HIS 110 H HIS 110 -7.642 19.284 17.665 895 HA HIS 110 HA HIS 110 -6.512 18.408 15.101 896 HB2 HIS 110 HB2 HIS 110 -7.974 20.551 15.507 897 HB3 HIS 110 HB3 HIS 110 -6.473 21.243 16.110 898 HD1 HIS 110 HD1 HIS 110 -4.728 21.949 14.387 899 HD2 HIS 110 HD2 HIS 110 -7.984 19.948 12.738 900 HE1 HIS 110 HE1 HIS 110 -4.519 22.238 11.895 901 HE2 HIS 110 HE2 HIS 110 -6.634 21.238 10.949 902 H HIS 111 H HIS 111 -5.686 18.906 18.282 903 HA HIS 111 HA HIS 111 -2.853 18.590 17.789 904 HB2 HIS 111 HB2 HIS 111 -3.241 21.077 17.802 905 HB3 HIS 111 HB3 HIS 111 -3.889 20.923 19.427 906 HD1 HIS 111 HD1 HIS 111 -2.136 20.185 21.319 907 HD2 HIS 111 HD2 HIS 111 -0.509 21.255 17.636 908 HE1 HIS 111 HE1 HIS 111 0.291 20.666 21.758 909 HE2 HIS 111 HE2 HIS 111 1.241 21.396 19.539 910 H HIS 112 H HIS 112 -1.875 17.509 19.532 911 HA HIS 112 HA HIS 112 -3.734 16.626 21.608 912 HB2 HIS 112 HB2 HIS 112 -2.019 14.952 22.202 913 HB3 HIS 112 HB3 HIS 112 -2.477 14.852 20.511 914 HD1 HIS 112 HD1 HIS 112 0.303 16.499 22.537 915 HD2 HIS 112 HD2 HIS 112 -0.324 14.602 18.892 916 HE1 HIS 112 HE1 HIS 112 2.569 16.357 21.451 917 HE2 HIS 112 HE2 HIS 112 2.184 15.116 19.295 Start of MODEL 16 1 H1 MET 1 H1 MET 1 19.701 14.651 -0.248 2 H2 MET 1 H2 MET 1 19.037 14.595 1.311 3 H3 MET 1 H3 MET 1 18.627 15.860 0.261 4 HA MET 1 HA MET 1 16.837 14.284 0.400 5 HB2 MET 1 HB2 MET 1 17.165 15.458 -1.716 6 HB3 MET 1 HB3 MET 1 18.321 14.241 -2.239 7 HG2 MET 1 HG2 MET 1 16.526 12.554 -2.187 8 HG3 MET 1 HG3 MET 1 15.381 13.820 -1.749 9 HE1 MET 1 HE1 MET 1 14.982 11.862 -4.247 10 HE2 MET 1 HE2 MET 1 14.404 13.011 -5.455 11 HE3 MET 1 HE3 MET 1 13.838 13.125 -3.789 12 H ASN 2 H ASN 2 16.763 12.399 1.494 13 HA ASN 2 HA ASN 2 17.795 10.052 0.058 14 HB2 ASN 2 HB2 ASN 2 18.074 10.560 3.026 15 HB3 ASN 2 HB3 ASN 2 18.227 8.961 2.312 16 HD21 ASN 2 HD21 ASN 2 19.735 11.953 2.932 17 HD22 ASN 2 HD22 ASN 2 21.263 11.597 2.198 18 H ASN 3 H ASN 3 15.633 11.296 2.555 19 HA ASN 3 HA ASN 3 13.560 10.712 3.255 20 HB2 ASN 3 HB2 ASN 3 13.564 9.172 0.669 21 HB3 ASN 3 HB3 ASN 3 12.241 9.010 1.815 22 HD21 ASN 3 HD21 ASN 3 14.044 11.962 1.187 23 HD22 ASN 3 HD22 ASN 3 12.725 12.833 0.483 24 HA PRO 4 HA PRO 4 14.318 7.220 5.824 25 HB2 PRO 4 HB2 PRO 4 11.400 6.857 6.061 26 HB3 PRO 4 HB3 PRO 4 12.592 7.233 7.310 27 HG2 PRO 4 HG2 PRO 4 10.847 9.077 6.450 28 HG3 PRO 4 HG3 PRO 4 12.510 9.508 6.891 29 HD2 PRO 4 HD2 PRO 4 11.315 9.110 4.170 30 HD3 PRO 4 HD3 PRO 4 12.445 10.362 4.731 31 H SER 5 H SER 5 15.130 5.721 4.386 32 HA SER 5 HA SER 5 13.331 3.539 3.728 33 HB2 SER 5 HB2 SER 5 14.951 4.953 1.592 34 HB3 SER 5 HB3 SER 5 14.092 3.429 1.368 35 HG SER 5 HG SER 5 12.480 5.340 2.422 36 H ASP 6 H ASP 6 14.367 1.979 4.811 37 HA ASP 6 HA ASP 6 17.285 1.833 4.710 38 HB2 ASP 6 HB2 ASP 6 15.833 1.665 6.856 39 HB3 ASP 6 HB3 ASP 6 15.521 0.018 6.323 40 H PHE 7 H PHE 7 14.961 0.902 2.822 41 HA PHE 7 HA PHE 7 16.236 -1.615 2.055 42 HB2 PHE 7 HB2 PHE 7 13.330 -0.880 2.230 43 HB3 PHE 7 HB3 PHE 7 13.880 -2.133 1.136 44 HD1 PHE 7 HD1 PHE 7 13.422 -1.181 4.629 45 HD2 PHE 7 HD2 PHE 7 14.687 -4.255 1.974 46 HE1 PHE 7 HE1 PHE 7 13.362 -2.801 6.478 47 HE2 PHE 7 HE2 PHE 7 14.627 -5.881 3.820 48 HZ PHE 7 HZ PHE 7 13.965 -5.154 6.077 49 H LYS 8 H LYS 8 15.600 -2.116 -0.350 50 HA LYS 8 HA LYS 8 16.638 -0.129 -1.990 51 HB2 LYS 8 HB2 LYS 8 16.561 -2.542 -2.547 52 HB3 LYS 8 HB3 LYS 8 14.820 -2.417 -2.775 53 HG2 LYS 8 HG2 LYS 8 15.908 -2.377 -4.910 54 HG3 LYS 8 HG3 LYS 8 15.212 -0.787 -4.585 55 HD2 LYS 8 HD2 LYS 8 17.366 -0.388 -5.450 56 HD3 LYS 8 HD3 LYS 8 17.486 -0.114 -3.719 57 HE2 LYS 8 HE2 LYS 8 18.436 -2.334 -3.418 58 HE3 LYS 8 HE3 LYS 8 18.282 -2.647 -5.145 59 HZ1 LYS 8 HZ1 LYS 8 19.794 -0.719 -5.512 60 HZ2 LYS 8 HZ2 LYS 8 20.518 -2.024 -4.707 61 HZ3 LYS 8 HZ3 LYS 8 20.045 -0.648 -3.833 62 H SER 9 H SER 9 13.283 -1.055 -1.353 63 HA SER 9 HA SER 9 12.375 1.606 -2.019 64 HB2 SER 9 HB2 SER 9 11.397 -0.775 -3.618 65 HB3 SER 9 HB3 SER 9 10.750 0.862 -3.712 66 HG SER 9 HG SER 9 13.406 0.936 -4.057 67 H PHE 10 H PHE 10 9.791 1.471 -1.986 68 HA PHE 10 HA PHE 10 9.031 0.883 0.606 69 HB2 PHE 10 HB2 PHE 10 6.678 1.110 -0.246 70 HB3 PHE 10 HB3 PHE 10 7.734 2.446 -0.659 71 HD1 PHE 10 HD1 PHE 10 8.572 2.685 -2.984 72 HD2 PHE 10 HD2 PHE 10 5.663 -0.234 -1.921 73 HE1 PHE 10 HE1 PHE 10 7.970 2.430 -5.354 74 HE2 PHE 10 HE2 PHE 10 5.059 -0.497 -4.292 75 HZ PHE 10 HZ PHE 10 6.213 0.834 -6.011 76 H HIS 11 H HIS 11 8.733 -1.091 -2.308 77 HA HIS 11 HA HIS 11 6.975 -3.001 -1.240 78 HB2 HIS 11 HB2 HIS 11 7.527 -4.396 -3.150 79 HB3 HIS 11 HB3 HIS 11 7.340 -2.728 -3.662 80 HD1 HIS 11 HD1 HIS 11 9.220 -1.765 -5.014 81 HD2 HIS 11 HD2 HIS 11 10.306 -5.265 -3.059 82 HE1 HIS 11 HE1 HIS 11 11.509 -2.340 -5.877 83 HE2 HIS 11 HE2 HIS 11 12.226 -4.337 -4.518 84 H ASP 12 H ASP 12 10.378 -2.591 -0.842 85 HA ASP 12 HA ASP 12 10.922 -5.286 -0.034 86 HB2 ASP 12 HB2 ASP 12 12.498 -2.736 0.376 87 HB3 ASP 12 HB3 ASP 12 13.095 -4.354 0.703 88 H PHE 13 H PHE 13 10.422 -2.191 1.610 89 HA PHE 13 HA PHE 13 10.782 -3.223 4.225 90 HB2 PHE 13 HB2 PHE 13 10.996 -0.815 3.656 91 HB3 PHE 13 HB3 PHE 13 9.259 -0.749 3.378 92 HD1 PHE 13 HD1 PHE 13 11.876 -1.181 5.929 93 HD2 PHE 13 HD2 PHE 13 7.723 -0.610 5.193 94 HE1 PHE 13 HE1 PHE 13 11.524 -0.689 8.312 95 HE2 PHE 13 HE2 PHE 13 7.365 -0.116 7.576 96 HZ PHE 13 HZ PHE 13 9.269 -0.156 9.141 97 H VAL 14 H VAL 14 7.929 -2.593 2.214 98 HA VAL 14 HA VAL 14 5.983 -3.292 4.115 99 HB VAL 14 HB VAL 14 5.832 -3.557 1.104 100 HG11 VAL 14 HG11 VAL 14 3.639 -3.578 3.182 101 HG12 VAL 14 HG12 VAL 14 4.121 -4.919 2.141 102 HG13 VAL 14 HG13 VAL 14 3.382 -3.480 1.439 103 HG21 VAL 14 HG21 VAL 14 4.952 -1.340 2.950 104 HG22 VAL 14 HG22 VAL 14 4.625 -1.414 1.219 105 HG23 VAL 14 HG23 VAL 14 6.286 -1.279 1.797 106 H ALA 15 H ALA 15 7.800 -5.246 1.793 107 HA ALA 15 HA ALA 15 6.420 -7.658 2.166 108 HB1 ALA 15 HB1 ALA 15 8.373 -8.748 1.230 109 HB2 ALA 15 HB2 ALA 15 9.339 -7.298 1.503 110 HB3 ALA 15 HB3 ALA 15 8.016 -7.269 0.337 111 H SER 16 H SER 16 9.200 -6.278 3.871 112 HA SER 16 HA SER 16 9.603 -8.545 5.545 113 HB2 SER 16 HB2 SER 16 11.300 -6.722 4.956 114 HB3 SER 16 HB3 SER 16 10.486 -5.723 6.160 115 HG SER 16 HG SER 16 11.035 -7.218 7.740 116 H TYR 17 H TYR 17 7.820 -5.513 5.879 117 HA TYR 17 HA TYR 17 7.143 -5.878 8.619 118 HB2 TYR 17 HB2 TYR 17 7.043 -3.727 7.132 119 HB3 TYR 17 HB3 TYR 17 5.436 -4.307 6.707 120 HD1 TYR 17 HD1 TYR 17 3.817 -4.795 8.680 121 HD2 TYR 17 HD2 TYR 17 7.359 -2.468 9.055 122 HE1 TYR 17 HE1 TYR 17 2.936 -3.795 10.746 123 HE2 TYR 17 HE2 TYR 17 6.486 -1.462 11.120 124 HH TYR 17 HH TYR 17 3.854 -2.723 12.802 125 H MET 18 H MET 18 5.515 -6.604 5.561 126 HA MET 18 HA MET 18 3.131 -7.610 6.716 127 HB2 MET 18 HB2 MET 18 3.382 -6.863 4.346 128 HB3 MET 18 HB3 MET 18 4.331 -8.309 4.033 129 HG2 MET 18 HG2 MET 18 2.471 -9.720 4.394 130 HG3 MET 18 HG3 MET 18 1.515 -8.403 5.072 131 HE1 MET 18 HE1 MET 18 2.427 -6.076 2.966 132 HE2 MET 18 HE2 MET 18 0.800 -6.254 3.625 133 HE3 MET 18 HE3 MET 18 1.036 -6.131 1.882 134 H LYS 19 H LYS 19 6.189 -9.048 5.798 135 HA LYS 19 HA LYS 19 5.679 -11.742 6.214 136 HB2 LYS 19 HB2 LYS 19 7.783 -10.885 5.322 137 HB3 LYS 19 HB3 LYS 19 8.146 -10.113 6.857 138 HG2 LYS 19 HG2 LYS 19 8.141 -12.437 7.867 139 HG3 LYS 19 HG3 LYS 19 8.131 -13.043 6.207 140 HD2 LYS 19 HD2 LYS 19 10.164 -11.739 5.739 141 HD3 LYS 19 HD3 LYS 19 10.190 -11.199 7.417 142 HE2 LYS 19 HE2 LYS 19 10.337 -13.600 8.102 143 HE3 LYS 19 HE3 LYS 19 10.517 -14.014 6.397 144 HZ1 LYS 19 HZ1 LYS 19 12.480 -12.506 6.361 145 HZ2 LYS 19 HZ2 LYS 19 12.673 -13.871 7.348 146 HZ3 LYS 19 HZ3 LYS 19 12.347 -12.363 8.047 147 H THR 20 H THR 20 6.159 -9.146 8.494 148 HA THR 20 HA THR 20 6.621 -10.747 10.784 149 HB THR 20 HB THR 20 5.615 -7.901 10.623 150 HG1 THR 20 HG1 THR 20 7.767 -8.545 9.648 151 HG21 THR 20 HG21 THR 20 6.542 -7.691 12.893 152 HG22 THR 20 HG22 THR 20 6.916 -9.413 12.892 153 HG23 THR 20 HG23 THR 20 5.239 -8.876 12.825 154 H TYR 21 H TYR 21 3.671 -9.008 9.663 155 HA TYR 21 HA TYR 21 2.183 -10.295 11.795 156 HB2 TYR 21 HB2 TYR 21 0.467 -8.761 11.383 157 HB3 TYR 21 HB3 TYR 21 1.938 -7.841 11.156 158 HD1 TYR 21 HD1 TYR 21 -0.978 -9.323 9.500 159 HD2 TYR 21 HD2 TYR 21 2.522 -6.964 8.972 160 HE1 TYR 21 HE1 TYR 21 -1.809 -8.596 7.311 161 HE2 TYR 21 HE2 TYR 21 1.695 -6.233 6.771 162 HH TYR 21 HH TYR 21 0.126 -7.031 5.033 163 H SER 22 H SER 22 3.132 -11.308 8.887 164 HA SER 22 HA SER 22 0.813 -12.265 7.612 165 HB2 SER 22 HB2 SER 22 3.034 -12.199 6.523 166 HB3 SER 22 HB3 SER 22 3.593 -13.479 7.597 167 HG SER 22 HG SER 22 1.337 -14.305 6.473 168 H ARG 23 H ARG 23 2.155 -13.114 10.543 169 HA ARG 23 HA ARG 23 1.569 -15.870 10.712 170 HB2 ARG 23 HB2 ARG 23 1.522 -13.872 12.974 171 HB3 ARG 23 HB3 ARG 23 1.885 -15.589 13.067 172 HG2 ARG 23 HG2 ARG 23 3.961 -15.289 11.926 173 HG3 ARG 23 HG3 ARG 23 3.577 -13.607 11.559 174 HD2 ARG 23 HD2 ARG 23 5.067 -13.512 13.363 175 HD3 ARG 23 HD3 ARG 23 3.476 -13.256 14.077 176 HE ARG 23 HE ARG 23 4.230 -16.004 14.112 177 HH11 ARG 23 HH11 ARG 23 4.596 -12.941 15.777 178 HH12 ARG 23 HH12 ARG 23 5.113 -13.673 17.274 179 HH21 ARG 23 HH21 ARG 23 4.918 -16.970 16.042 180 HH22 ARG 23 HH22 ARG 23 5.305 -15.974 17.421 181 H ARG 24 H ARG 24 -0.348 -12.973 11.073 182 HA ARG 24 HA ARG 24 -2.670 -14.555 11.937 183 HB2 ARG 24 HB2 ARG 24 -3.681 -12.547 12.678 184 HB3 ARG 24 HB3 ARG 24 -1.999 -12.429 13.176 185 HG2 ARG 24 HG2 ARG 24 -1.498 -10.916 11.405 186 HG3 ARG 24 HG3 ARG 24 -3.076 -11.177 10.662 187 HD2 ARG 24 HD2 ARG 24 -4.093 -10.240 12.767 188 HD3 ARG 24 HD3 ARG 24 -2.463 -9.779 13.256 189 HE ARG 24 HE ARG 24 -2.967 -8.795 10.673 190 HH11 ARG 24 HH11 ARG 24 -4.010 -8.244 13.980 191 HH12 ARG 24 HH12 ARG 24 -4.313 -6.554 13.721 192 HH21 ARG 24 HH21 ARG 24 -3.411 -6.585 10.335 193 HH22 ARG 24 HH22 ARG 24 -3.976 -5.606 11.670 194 H LEU 25 H LEU 25 -1.286 -13.400 9.141 195 HA LEU 25 HA LEU 25 -3.751 -12.524 7.875 196 HB2 LEU 25 HB2 LEU 25 -1.426 -11.430 7.546 197 HB3 LEU 25 HB3 LEU 25 -1.093 -12.787 6.498 198 HG LEU 25 HG LEU 25 -3.045 -12.134 5.114 199 HD11 LEU 25 HD11 LEU 25 -4.042 -9.939 5.430 200 HD12 LEU 25 HD12 LEU 25 -3.056 -9.681 6.869 201 HD13 LEU 25 HD13 LEU 25 -4.288 -10.942 6.861 202 HD21 LEU 25 HD21 LEU 25 -0.791 -11.450 4.495 203 HD22 LEU 25 HD22 LEU 25 -0.938 -10.012 5.506 204 HD23 LEU 25 HD23 LEU 25 -1.963 -10.198 4.081 205 H GLU 26 H GLU 26 -4.980 -13.829 6.718 206 HA GLU 26 HA GLU 26 -4.444 -16.512 6.179 207 HB2 GLU 26 HB2 GLU 26 -6.612 -14.928 6.038 208 HB3 GLU 26 HB3 GLU 26 -6.216 -15.015 4.333 209 HG2 GLU 26 HG2 GLU 26 -6.527 -17.453 6.048 210 HG3 GLU 26 HG3 GLU 26 -7.877 -16.676 5.231 211 H ILE 27 H ILE 27 -3.959 -17.535 4.194 212 HA ILE 27 HA ILE 27 -1.738 -16.342 2.883 213 HB ILE 27 HB ILE 27 -3.275 -18.875 2.294 214 HG12 ILE 27 HG12 ILE 27 -2.067 -18.839 4.432 215 HG13 ILE 27 HG13 ILE 27 -1.333 -19.977 3.307 216 HG21 ILE 27 HG21 ILE 27 -2.235 -18.124 0.236 217 HG22 ILE 27 HG22 ILE 27 -1.386 -19.533 0.870 218 HG23 ILE 27 HG23 ILE 27 -0.691 -17.924 1.065 219 HD11 ILE 27 HD11 ILE 27 0.365 -18.738 4.499 220 HD12 ILE 27 HD12 ILE 27 -0.329 -17.214 3.945 221 HD13 ILE 27 HD13 ILE 27 0.396 -18.326 2.784 222 H GLY 28 H GLY 28 -5.135 -16.687 2.104 223 HA2 GLY 28 HA2 GLY 28 -5.142 -16.283 -0.628 224 HA3 GLY 28 HA3 GLY 28 -6.414 -15.735 0.449 225 H THR 29 H THR 29 -5.376 -13.694 1.834 226 HA THR 29 HA THR 29 -5.257 -11.630 -0.098 227 HB THR 29 HB THR 29 -6.258 -11.042 1.947 228 HG1 THR 29 HG1 THR 29 -5.345 -9.146 1.993 229 HG21 THR 29 HG21 THR 29 -5.249 -12.740 3.376 230 HG22 THR 29 HG22 THR 29 -5.152 -11.144 4.120 231 HG23 THR 29 HG23 THR 29 -3.724 -11.853 3.364 232 H PHE 30 H PHE 30 -2.783 -12.847 2.187 233 HA PHE 30 HA PHE 30 -0.646 -11.296 1.461 234 HB2 PHE 30 HB2 PHE 30 -0.653 -12.956 3.294 235 HB3 PHE 30 HB3 PHE 30 -0.589 -14.252 2.107 236 HD1 PHE 30 HD2 PHE 30 1.284 -11.325 3.394 237 HD2 PHE 30 HD1 PHE 30 1.460 -15.009 1.270 238 HE1 PHE 30 HE2 PHE 30 3.741 -11.222 3.429 239 HE2 PHE 30 HE1 PHE 30 3.919 -14.914 1.303 240 HZ PHE 30 HZ PHE 30 5.061 -13.019 2.384 241 H ARG 31 H ARG 31 -1.664 -14.337 -0.086 242 HA ARG 31 HA ARG 31 0.506 -14.622 -1.815 243 HB2 ARG 31 HB2 ARG 31 -1.353 -16.252 -1.078 244 HB3 ARG 31 HB3 ARG 31 -2.256 -15.597 -2.434 245 HG2 ARG 31 HG2 ARG 31 -0.437 -16.281 -3.942 246 HG3 ARG 31 HG3 ARG 31 0.397 -17.006 -2.561 247 HD2 ARG 31 HD2 ARG 31 -2.395 -17.811 -2.807 248 HD3 ARG 31 HD3 ARG 31 -1.410 -18.263 -4.184 249 HE ARG 31 HE ARG 31 0.027 -19.025 -1.956 250 HH11 ARG 31 HH11 ARG 31 -3.093 -19.753 -3.369 251 HH12 ARG 31 HH12 ARG 31 -3.145 -21.383 -2.758 252 HH21 ARG 31 HH21 ARG 31 -0.036 -21.155 -1.113 253 HH22 ARG 31 HH22 ARG 31 -1.421 -22.166 -1.429 254 H HIS 32 H HIS 32 -2.217 -12.503 -2.078 255 HA HIS 32 HA HIS 32 -2.081 -12.415 -4.974 256 HB2 HIS 32 HB2 HIS 32 -3.875 -11.124 -2.950 257 HB3 HIS 32 HB3 HIS 32 -3.834 -10.530 -4.607 258 HD1 HIS 32 HD1 HIS 32 -5.759 -12.688 -2.620 259 HD2 HIS 32 HD2 HIS 32 -4.153 -12.999 -6.438 260 HE1 HIS 32 HE1 HIS 32 -7.129 -14.439 -3.786 261 HE2 HIS 32 HE2 HIS 32 -5.978 -14.780 -5.999 262 H HIS 33 H HIS 33 -1.768 -9.907 -2.419 263 HA HIS 33 HA HIS 33 -0.709 -8.133 -4.448 264 HB2 HIS 33 HB2 HIS 33 -0.643 -6.432 -2.554 265 HB3 HIS 33 HB3 HIS 33 -2.221 -7.004 -3.071 266 HD1 HIS 33 HD1 HIS 33 0.096 -6.959 -0.145 267 HD2 HIS 33 HD2 HIS 33 -3.613 -8.532 -1.178 268 HE1 HIS 33 HE1 HIS 33 -0.950 -7.716 2.016 269 HE2 HIS 33 HE2 HIS 33 -3.144 -8.774 1.353 270 H LYS 34 H LYS 34 0.794 -10.494 -2.956 271 HA LYS 34 HA LYS 34 3.186 -9.104 -2.192 272 HB2 LYS 34 HB2 LYS 34 4.159 -11.377 -2.060 273 HB3 LYS 34 HB3 LYS 34 2.708 -11.190 -1.107 274 HG2 LYS 34 HG2 LYS 34 2.348 -13.240 -2.030 275 HG3 LYS 34 HG3 LYS 34 1.548 -12.210 -3.211 276 HD2 LYS 34 HD2 LYS 34 2.862 -13.859 -4.364 277 HD3 LYS 34 HD3 LYS 34 3.608 -12.276 -4.590 278 HE2 LYS 34 HE2 LYS 34 5.263 -12.775 -2.904 279 HE3 LYS 34 HE3 LYS 34 4.478 -14.313 -2.544 280 HZ1 LYS 34 HZ1 LYS 34 4.972 -15.036 -4.807 281 HZ2 LYS 34 HZ2 LYS 34 6.387 -14.642 -3.967 282 HZ3 LYS 34 HZ3 LYS 34 5.760 -13.568 -5.123 283 H SER 35 H SER 35 1.889 -10.662 -5.010 284 HA SER 35 HA SER 35 4.318 -10.678 -6.519 285 HB2 SER 35 HB2 SER 35 1.471 -10.866 -7.538 286 HB3 SER 35 HB3 SER 35 2.931 -11.398 -8.372 287 HG SER 35 HG SER 35 1.660 -13.056 -7.222 288 H CYS 36 H CYS 36 1.616 -8.494 -6.141 289 HA CYS 36 HA CYS 36 1.931 -6.820 -8.327 290 HB2 CYS 36 HB2 CYS 36 1.105 -6.112 -5.508 291 HB3 CYS 36 HB3 CYS 36 0.808 -5.126 -6.932 292 HG CYS 36 HG CYS 36 -0.702 -7.329 -8.133 293 H MET 37 H MET 37 3.318 -6.471 -5.097 294 HA MET 37 HA MET 37 4.769 -4.131 -5.559 295 HB2 MET 37 HB2 MET 37 5.295 -6.355 -3.585 296 HB3 MET 37 HB3 MET 37 6.082 -4.784 -3.549 297 HG2 MET 37 HG2 MET 37 3.857 -3.731 -3.291 298 HG3 MET 37 HG3 MET 37 3.150 -5.343 -3.188 299 HE1 MET 37 HE1 MET 37 3.651 -7.059 -1.179 300 HE2 MET 37 HE2 MET 37 4.816 -6.720 0.101 301 HE3 MET 37 HE3 MET 37 5.369 -6.931 -1.559 302 H ARG 38 H ARG 38 5.527 -7.425 -6.359 303 HA ARG 38 HA ARG 38 8.329 -6.972 -6.795 304 HB2 ARG 38 HB2 ARG 38 6.424 -9.208 -7.156 305 HB3 ARG 38 HB3 ARG 38 7.815 -9.205 -8.226 306 HG2 ARG 38 HG2 ARG 38 8.241 -10.566 -6.282 307 HG3 ARG 38 HG3 ARG 38 9.298 -9.157 -6.277 308 HD2 ARG 38 HD2 ARG 38 7.844 -8.057 -4.665 309 HD3 ARG 38 HD3 ARG 38 6.746 -9.436 -4.697 310 HE ARG 38 HE ARG 38 9.527 -9.912 -3.912 311 HH11 ARG 38 HH11 ARG 38 6.163 -9.602 -2.993 312 HH12 ARG 38 HH12 ARG 38 6.392 -10.339 -1.430 313 HH21 ARG 38 HH21 ARG 38 9.826 -10.894 -1.880 314 HH22 ARG 38 HH22 ARG 38 8.474 -11.077 -0.807 315 H LYS 39 H LYS 39 5.412 -6.944 -8.738 316 HA LYS 39 HA LYS 39 6.695 -7.087 -11.265 317 HB2 LYS 39 HB2 LYS 39 4.479 -7.922 -10.998 318 HB3 LYS 39 HB3 LYS 39 3.917 -6.397 -10.338 319 HG2 LYS 39 HG2 LYS 39 4.659 -5.490 -12.691 320 HG3 LYS 39 HG3 LYS 39 4.405 -7.180 -13.147 321 HD2 LYS 39 HD2 LYS 39 2.415 -5.375 -11.779 322 HD3 LYS 39 HD3 LYS 39 2.372 -5.899 -13.455 323 HE2 LYS 39 HE2 LYS 39 2.327 -7.824 -11.155 324 HE3 LYS 39 HE3 LYS 39 0.862 -7.137 -11.845 325 HZ1 LYS 39 HZ1 LYS 39 1.398 -9.321 -12.774 326 HZ2 LYS 39 HZ2 LYS 39 2.875 -8.724 -13.355 327 HZ3 LYS 39 HZ3 LYS 39 1.414 -8.114 -13.967 328 H PHE 40 H PHE 40 5.132 -4.456 -9.462 329 HA PHE 40 HA PHE 40 5.244 -2.597 -11.572 330 HB2 PHE 40 HB2 PHE 40 4.439 -2.634 -8.738 331 HB3 PHE 40 HB3 PHE 40 4.849 -1.063 -9.398 332 HD1 PHE 40 HD2 PHE 40 3.548 -0.111 -11.251 333 HD2 PHE 40 HD1 PHE 40 2.467 -3.795 -9.415 334 HE1 PHE 40 HE2 PHE 40 1.312 0.046 -12.266 335 HE2 PHE 40 HE1 PHE 40 0.227 -3.643 -10.427 336 HZ PHE 40 HZ PHE 40 -0.351 -1.722 -11.852 337 H LYS 41 H LYS 41 7.887 -3.696 -10.008 338 HA LYS 41 HA LYS 41 9.081 -1.135 -9.343 339 HB2 LYS 41 HB2 LYS 41 10.957 -2.360 -8.514 340 HB3 LYS 41 HB3 LYS 41 9.509 -3.209 -7.992 341 HG2 LYS 41 HG2 LYS 41 9.804 -4.889 -9.660 342 HG3 LYS 41 HG3 LYS 41 11.113 -3.978 -10.416 343 HD2 LYS 41 HD2 LYS 41 12.446 -4.235 -8.361 344 HD3 LYS 41 HD3 LYS 41 11.146 -5.200 -7.659 345 HE2 LYS 41 HE2 LYS 41 12.660 -5.885 -10.176 346 HE3 LYS 41 HE3 LYS 41 12.958 -6.590 -8.587 347 HZ1 LYS 41 HZ1 LYS 41 10.673 -7.436 -8.603 348 HZ2 LYS 41 HZ2 LYS 41 11.581 -8.048 -9.898 349 HZ3 LYS 41 HZ3 LYS 41 10.446 -6.816 -10.165 350 H GLU 42 H GLU 42 8.462 -2.327 -12.199 351 HA GLU 42 HA GLU 42 10.949 -2.727 -13.451 352 HB2 GLU 42 HB2 GLU 42 9.724 -2.523 -15.561 353 HB3 GLU 42 HB3 GLU 42 8.904 -3.580 -14.424 354 HG2 GLU 42 HG2 GLU 42 7.342 -1.793 -13.876 355 HG3 GLU 42 HG3 GLU 42 8.174 -0.716 -14.998 356 H TYR 43 H TYR 43 9.058 0.184 -12.908 357 HA TYR 43 HA TYR 43 10.624 1.777 -14.712 358 HB2 TYR 43 HB2 TYR 43 8.654 2.579 -12.564 359 HB3 TYR 43 HB3 TYR 43 9.396 3.698 -13.703 360 HD1 TYR 43 HD2 TYR 43 9.150 2.844 -16.263 361 HD2 TYR 43 HD1 TYR 43 6.514 1.894 -13.063 362 HE1 TYR 43 HE2 TYR 43 7.360 2.385 -17.883 363 HE2 TYR 43 HE1 TYR 43 4.716 1.429 -14.675 364 HH TYR 43 HH TYR 43 5.213 0.917 -17.891 365 H CYS 44 H CYS 44 11.081 0.599 -11.596 366 HA CYS 44 HA CYS 44 12.586 0.968 -9.941 367 HB2 CYS 44 HB2 CYS 44 14.097 0.769 -11.978 368 HB3 CYS 44 HB3 CYS 44 14.165 2.526 -11.998 369 HG CYS 44 HG CYS 44 15.264 2.632 -9.357 370 H GLU 45 H GLU 45 10.422 2.823 -10.208 371 HA GLU 45 HA GLU 45 11.652 5.290 -9.187 372 HB2 GLU 45 HB2 GLU 45 8.926 4.821 -10.402 373 HB3 GLU 45 HB3 GLU 45 9.403 6.320 -9.622 374 HG2 GLU 45 HG2 GLU 45 11.201 6.574 -11.287 375 HG3 GLU 45 HG3 GLU 45 10.630 5.111 -12.088 376 H GLY 46 H GLY 46 11.129 6.014 -7.168 377 HA2 GLY 46 HA2 GLY 46 9.230 4.377 -5.623 378 HA3 GLY 46 HA3 GLY 46 10.538 5.333 -4.932 379 H LEU 47 H LEU 47 9.454 6.736 -3.672 380 HA LEU 47 HA LEU 47 8.070 8.892 -4.907 381 HB2 LEU 47 HB2 LEU 47 6.359 6.936 -4.687 382 HB3 LEU 47 HB3 LEU 47 6.381 7.328 -2.979 383 HG LEU 47 HG LEU 47 5.720 9.676 -3.599 384 HD11 LEU 47 HD11 LEU 47 6.456 9.634 -5.922 385 HD12 LEU 47 HD12 LEU 47 4.741 10.026 -5.807 386 HD13 LEU 47 HD13 LEU 47 5.243 8.406 -6.290 387 HD21 LEU 47 HD21 LEU 47 3.370 9.099 -3.984 388 HD22 LEU 47 HD22 LEU 47 4.101 8.078 -2.745 389 HD23 LEU 47 HD23 LEU 47 3.846 7.446 -4.373 390 H GLN 48 H GLN 48 8.253 10.674 -3.634 391 HA GLN 48 HA GLN 48 9.642 10.344 -1.123 392 HB2 GLN 48 HB2 GLN 48 8.803 12.752 -2.709 393 HB3 GLN 48 HB3 GLN 48 9.435 12.903 -1.089 394 HG2 GLN 48 HG2 GLN 48 11.214 13.298 -2.608 395 HG3 GLN 48 HG3 GLN 48 11.496 11.745 -1.826 396 HE21 GLN 48 HE21 GLN 48 11.375 9.864 -3.042 397 HE22 GLN 48 HE22 GLN 48 11.346 9.878 -4.770 398 H PHE 49 H PHE 49 8.930 11.766 0.711 399 HA PHE 49 HA PHE 49 6.534 10.684 1.705 400 HB2 PHE 49 HB2 PHE 49 6.921 12.255 3.634 401 HB3 PHE 49 HB3 PHE 49 8.273 11.211 3.237 402 HD1 PHE 49 HD2 PHE 49 10.312 12.110 2.276 403 HD2 PHE 49 HD1 PHE 49 7.063 14.650 3.323 404 HE1 PHE 49 HE2 PHE 49 11.796 14.066 2.124 405 HE2 PHE 49 HE1 PHE 49 8.542 16.609 3.175 406 HZ PHE 49 HZ PHE 49 10.912 16.319 2.575 407 H HIS 50 H HIS 50 7.313 13.870 0.459 408 HA HIS 50 HA HIS 50 4.734 14.957 1.093 409 HB2 HIS 50 HB2 HIS 50 6.765 16.358 1.042 410 HB3 HIS 50 HB3 HIS 50 6.910 16.073 -0.689 411 HD1 HIS 50 HD1 HIS 50 6.215 18.081 -1.910 412 HD2 HIS 50 HD2 HIS 50 3.871 17.457 1.467 413 HE1 HIS 50 HE1 HIS 50 4.492 19.915 -1.930 414 HE2 HIS 50 HE2 HIS 50 2.966 19.393 0.009 415 H GLU 51 H GLU 51 5.845 12.965 -1.390 416 HA GLU 51 HA GLU 51 3.990 13.954 -3.386 417 HB2 GLU 51 HB2 GLU 51 5.681 11.449 -3.364 418 HB3 GLU 51 HB3 GLU 51 4.720 12.012 -4.724 419 HG2 GLU 51 HG2 GLU 51 6.093 14.082 -4.752 420 HG3 GLU 51 HG3 GLU 51 7.118 13.361 -3.510 421 H LEU 52 H LEU 52 4.155 11.496 -0.928 422 HA LEU 52 HA LEU 52 1.872 10.020 -1.806 423 HB2 LEU 52 HB2 LEU 52 3.810 9.345 -0.173 424 HB3 LEU 52 HB3 LEU 52 2.798 10.092 1.045 425 HG LEU 52 HG LEU 52 2.499 7.666 0.987 426 HD11 LEU 52 HD11 LEU 52 0.074 9.160 0.010 427 HD12 LEU 52 HD12 LEU 52 0.609 9.013 1.684 428 HD13 LEU 52 HD13 LEU 52 0.064 7.585 0.805 429 HD21 LEU 52 HD21 LEU 52 3.016 7.261 -1.345 430 HD22 LEU 52 HD22 LEU 52 1.548 8.106 -1.837 431 HD23 LEU 52 HD23 LEU 52 1.435 6.593 -0.941 432 H THR 53 H THR 53 0.081 11.208 -2.056 433 HA THR 53 HA THR 53 -0.971 12.650 0.269 434 HB THR 53 HB THR 53 -1.822 14.369 -1.480 435 HG1 THR 53 HG1 THR 53 0.457 13.322 -2.860 436 HG21 THR 53 HG21 THR 53 0.224 15.710 -1.269 437 HG22 THR 53 HG22 THR 53 1.103 14.280 -0.731 438 HG23 THR 53 HG23 THR 53 -0.204 14.935 0.256 439 H GLU 54 H GLU 54 -3.328 13.271 -0.158 440 HA GLU 54 HA GLU 54 -4.936 11.094 -0.776 441 HB2 GLU 54 HB2 GLU 54 -5.879 12.858 0.488 442 HB3 GLU 54 HB3 GLU 54 -5.451 14.065 -0.715 443 HG2 GLU 54 HG2 GLU 54 -7.139 12.249 -2.016 444 HG3 GLU 54 HG3 GLU 54 -7.860 12.542 -0.430 445 H ASP 55 H ASP 55 -3.937 13.814 -2.763 446 HA ASP 55 HA ASP 55 -5.231 13.352 -5.131 447 HB2 ASP 55 HB2 ASP 55 -3.902 15.310 -4.860 448 HB3 ASP 55 HB3 ASP 55 -2.446 14.367 -4.567 449 H PHE 56 H PHE 56 -2.177 11.914 -4.045 450 HA PHE 56 HA PHE 56 -1.674 10.384 -6.344 451 HB2 PHE 56 HB2 PHE 56 0.040 10.795 -4.635 452 HB3 PHE 56 HB3 PHE 56 -0.863 9.817 -3.480 453 HD1 PHE 56 HD1 PHE 56 1.080 9.726 -6.612 454 HD2 PHE 56 HD2 PHE 56 -0.717 7.440 -3.497 455 HE1 PHE 56 HE1 PHE 56 2.270 7.722 -7.396 456 HE2 PHE 56 HE2 PHE 56 0.475 5.436 -4.276 457 HZ PHE 56 HZ PHE 56 1.969 5.574 -6.227 458 H LEU 57 H LEU 57 -3.297 9.512 -3.293 459 HA LEU 57 HA LEU 57 -3.875 6.860 -3.909 460 HB2 LEU 57 HB2 LEU 57 -5.115 8.898 -2.109 461 HB3 LEU 57 HB3 LEU 57 -5.931 7.366 -2.348 462 HG LEU 57 HG LEU 57 -4.559 7.395 -0.312 463 HD11 LEU 57 HD11 LEU 57 -3.350 5.292 -0.720 464 HD12 LEU 57 HD12 LEU 57 -3.591 5.513 -2.453 465 HD13 LEU 57 HD13 LEU 57 -4.981 5.278 -1.392 466 HD21 LEU 57 HD21 LEU 57 -2.217 7.681 -2.184 467 HD22 LEU 57 HD22 LEU 57 -2.126 7.378 -0.449 468 HD23 LEU 57 HD23 LEU 57 -2.790 8.899 -1.043 469 H ARG 58 H ARG 58 -5.726 9.802 -4.590 470 HA ARG 58 HA ARG 58 -7.996 8.554 -5.716 471 HB2 ARG 58 HB2 ARG 58 -6.798 11.260 -6.324 472 HB3 ARG 58 HB3 ARG 58 -8.417 10.743 -6.772 473 HG2 ARG 58 HG2 ARG 58 -9.165 10.773 -4.574 474 HG3 ARG 58 HG3 ARG 58 -7.527 10.737 -3.919 475 HD2 ARG 58 HD2 ARG 58 -8.427 12.939 -3.650 476 HD3 ARG 58 HD3 ARG 58 -7.147 12.987 -4.852 477 HE ARG 58 HE ARG 58 -9.517 12.646 -6.245 478 HH11 ARG 58 HH11 ARG 58 -8.140 15.042 -4.073 479 HH12 ARG 58 HH12 ARG 58 -8.948 16.379 -4.855 480 HH21 ARG 58 HH21 ARG 58 -10.575 14.389 -7.239 481 HH22 ARG 58 HH22 ARG 58 -10.346 16.003 -6.640 482 H ASP 59 H ASP 59 -5.201 10.072 -7.268 483 HA ASP 59 HA ASP 59 -5.868 9.473 -9.911 484 HB2 ASP 59 HB2 ASP 59 -4.118 11.088 -9.226 485 HB3 ASP 59 HB3 ASP 59 -3.086 9.741 -8.755 486 H TYR 60 H TYR 60 -3.902 7.612 -7.620 487 HA TYR 60 HA TYR 60 -3.164 5.604 -9.491 488 HB2 TYR 60 HB2 TYR 60 -2.030 6.172 -7.254 489 HB3 TYR 60 HB3 TYR 60 -3.299 5.209 -6.503 490 HD1 TYR 60 HD1 TYR 60 -0.391 5.099 -8.758 491 HD2 TYR 60 HD2 TYR 60 -3.274 2.815 -6.628 492 HE1 TYR 60 HE1 TYR 60 0.919 3.064 -9.183 493 HE2 TYR 60 HE2 TYR 60 -1.971 0.771 -7.046 494 HH TYR 60 HH TYR 60 1.216 0.827 -8.221 495 H LEU 61 H LEU 61 -5.791 5.942 -7.164 496 HA LEU 61 HA LEU 61 -6.921 3.395 -7.382 497 HB2 LEU 61 HB2 LEU 61 -7.671 4.971 -5.715 498 HB3 LEU 61 HB3 LEU 61 -8.212 6.087 -6.949 499 HG LEU 61 HG LEU 61 -9.944 4.476 -7.637 500 HD11 LEU 61 HD11 LEU 61 -10.433 2.546 -6.225 501 HD12 LEU 61 HD12 LEU 61 -8.994 2.881 -5.261 502 HD13 LEU 61 HD13 LEU 61 -8.833 2.419 -6.956 503 HD21 LEU 61 HD21 LEU 61 -10.486 6.223 -6.035 504 HD22 LEU 61 HD22 LEU 61 -9.973 5.184 -4.704 505 HD23 LEU 61 HD23 LEU 61 -11.382 4.748 -5.673 506 H ILE 62 H ILE 62 -7.599 6.345 -9.216 507 HA ILE 62 HA ILE 62 -9.485 5.290 -10.978 508 HB ILE 62 HB ILE 62 -7.460 7.460 -11.553 509 HG12 ILE 62 HG12 ILE 62 -8.787 7.998 -9.587 510 HG13 ILE 62 HG13 ILE 62 -9.300 9.005 -10.936 511 HG21 ILE 62 HG21 ILE 62 -10.070 6.807 -12.918 512 HG22 ILE 62 HG22 ILE 62 -8.454 6.613 -13.597 513 HG23 ILE 62 HG23 ILE 62 -9.073 8.226 -13.242 514 HD11 ILE 62 HD11 ILE 62 -11.226 7.549 -11.285 515 HD12 ILE 62 HD12 ILE 62 -11.201 8.217 -9.652 516 HD13 ILE 62 HD13 ILE 62 -10.710 6.545 -9.930 517 H TYR 63 H TYR 63 -5.950 5.530 -11.341 518 HA TYR 63 HA TYR 63 -5.705 4.385 -13.870 519 HB2 TYR 63 HB2 TYR 63 -3.868 5.489 -12.646 520 HB3 TYR 63 HB3 TYR 63 -3.812 4.141 -11.520 521 HD1 TYR 63 HD1 TYR 63 -3.051 5.237 -14.942 522 HD2 TYR 63 HD2 TYR 63 -2.758 2.051 -12.136 523 HE1 TYR 63 HE1 TYR 63 -1.407 4.119 -16.389 524 HE2 TYR 63 HE2 TYR 63 -1.114 0.926 -13.576 525 HH TYR 63 HH TYR 63 0.485 2.442 -16.072 526 H MET 64 H MET 64 -5.897 2.860 -10.701 527 HA MET 64 HA MET 64 -5.339 0.221 -11.574 528 HB2 MET 64 HB2 MET 64 -5.080 1.046 -9.252 529 HB3 MET 64 HB3 MET 64 -6.824 1.142 -9.114 530 HG2 MET 64 HG2 MET 64 -7.052 -1.045 -8.752 531 HG3 MET 64 HG3 MET 64 -5.843 -1.475 -9.961 532 HE1 MET 64 HE1 MET 64 -4.522 0.089 -5.823 533 HE2 MET 64 HE2 MET 64 -6.201 0.159 -6.358 534 HE3 MET 64 HE3 MET 64 -4.971 1.112 -7.187 535 H LYS 65 H LYS 65 -8.354 2.007 -11.090 536 HA LYS 65 HA LYS 65 -9.915 -0.344 -11.732 537 HB2 LYS 65 HB2 LYS 65 -11.872 1.014 -11.404 538 HB3 LYS 65 HB3 LYS 65 -10.742 1.283 -10.086 539 HG2 LYS 65 HG2 LYS 65 -10.081 3.400 -11.023 540 HG3 LYS 65 HG3 LYS 65 -11.079 3.113 -12.453 541 HD2 LYS 65 HD2 LYS 65 -12.102 3.352 -9.620 542 HD3 LYS 65 HD3 LYS 65 -12.177 4.617 -10.848 543 HE2 LYS 65 HE2 LYS 65 -13.645 3.311 -12.205 544 HE3 LYS 65 HE3 LYS 65 -13.421 1.895 -11.181 545 HZ1 LYS 65 HZ1 LYS 65 -14.528 3.055 -9.384 546 HZ2 LYS 65 HZ2 LYS 65 -15.531 2.985 -10.746 547 HZ3 LYS 65 HZ3 LYS 65 -14.735 4.431 -10.353 548 H LYS 66 H LYS 66 -8.573 2.306 -13.461 549 HA LYS 66 HA LYS 66 -10.398 1.998 -15.705 550 HB2 LYS 66 HB2 LYS 66 -9.691 4.245 -14.984 551 HB3 LYS 66 HB3 LYS 66 -8.022 3.833 -15.331 552 HG2 LYS 66 HG2 LYS 66 -9.936 3.555 -17.563 553 HG3 LYS 66 HG3 LYS 66 -9.586 5.193 -17.007 554 HD2 LYS 66 HD2 LYS 66 -7.134 4.594 -17.203 555 HD3 LYS 66 HD3 LYS 66 -7.649 3.131 -18.048 556 HE2 LYS 66 HE2 LYS 66 -8.725 4.463 -19.759 557 HE3 LYS 66 HE3 LYS 66 -8.347 5.945 -18.881 558 HZ1 LYS 66 HZ1 LYS 66 -6.477 4.121 -20.276 559 HZ2 LYS 66 HZ2 LYS 66 -5.941 5.248 -19.129 560 HZ3 LYS 66 HZ3 LYS 66 -6.723 5.782 -20.533 561 H THR 67 H THR 67 -6.838 1.973 -15.343 562 HA THR 67 HA THR 67 -6.476 0.706 -17.879 563 HB THR 67 HB THR 67 -4.457 1.025 -15.649 564 HG1 THR 67 HG1 THR 67 -4.615 2.793 -17.835 565 HG21 THR 67 HG21 THR 67 -4.111 0.709 -18.637 566 HG22 THR 67 HG22 THR 67 -3.767 -0.524 -17.424 567 HG23 THR 67 HG23 THR 67 -2.812 0.958 -17.471 568 H LEU 68 H LEU 68 -6.138 -0.357 -14.500 569 HA LEU 68 HA LEU 68 -5.538 -3.066 -15.325 570 HB2 LEU 68 HB2 LEU 68 -5.971 -1.873 -12.587 571 HB3 LEU 68 HB3 LEU 68 -5.444 -3.516 -12.889 572 HG LEU 68 HG LEU 68 -3.918 -1.019 -13.634 573 HD11 LEU 68 HD11 LEU 68 -3.458 -3.050 -11.453 574 HD12 LEU 68 HD12 LEU 68 -3.953 -1.371 -11.237 575 HD13 LEU 68 HD13 LEU 68 -2.355 -1.743 -11.886 576 HD21 LEU 68 HD21 LEU 68 -3.505 -2.840 -15.197 577 HD22 LEU 68 HD22 LEU 68 -3.156 -3.929 -13.853 578 HD23 LEU 68 HD23 LEU 68 -2.094 -2.559 -14.176 579 H CYS 69 H CYS 69 -8.300 -1.227 -14.549 580 HA CYS 69 HA CYS 69 -10.517 -1.672 -14.598 581 HB2 CYS 69 HB2 CYS 69 -9.876 -2.967 -16.643 582 HB3 CYS 69 HB3 CYS 69 -9.752 -4.408 -15.639 583 HG CYS 69 HG CYS 69 -12.568 -3.904 -14.804 584 H ASN 70 H ASN 70 -8.931 -2.282 -12.201 585 HA ASN 70 HA ASN 70 -10.355 -4.551 -11.046 586 HB2 ASN 70 HB2 ASN 70 -8.148 -2.779 -10.020 587 HB3 ASN 70 HB3 ASN 70 -9.009 -3.884 -8.957 588 HD21 ASN 70 HD21 ASN 70 -8.251 -4.539 -12.320 589 HD22 ASN 70 HD22 ASN 70 -7.132 -5.816 -12.008 590 H ALA 71 H ALA 71 -11.719 -4.381 -9.234 591 HA ALA 71 HA ALA 71 -13.306 -1.958 -9.264 592 HB1 ALA 71 HB1 ALA 71 -14.430 -4.122 -9.274 593 HB2 ALA 71 HB2 ALA 71 -14.851 -3.207 -7.826 594 HB3 ALA 71 HB3 ALA 71 -13.687 -4.528 -7.728 595 H ASP 72 H ASP 72 -14.115 -1.147 -7.033 596 HA ASP 72 HA ASP 72 -11.925 -0.141 -5.594 597 HB2 ASP 72 HB2 ASP 72 -13.630 0.524 -3.850 598 HB3 ASP 72 HB3 ASP 72 -13.923 1.133 -5.464 599 H SER 73 H SER 73 -14.123 -2.803 -4.889 600 HA SER 73 HA SER 73 -13.125 -3.439 -2.356 601 HB2 SER 73 HB2 SER 73 -14.227 -5.385 -4.396 602 HB3 SER 73 HB3 SER 73 -14.212 -5.579 -2.644 603 HG SER 73 HG SER 73 -15.442 -3.280 -3.622 604 H THR 74 H THR 74 -11.836 -4.055 -5.530 605 HA THR 74 HA THR 74 -9.824 -5.905 -4.555 606 HB THR 74 HB THR 74 -9.767 -4.573 -7.253 607 HG1 THR 74 HG1 THR 74 -11.507 -6.638 -6.339 608 HG21 THR 74 HG21 THR 74 -8.997 -7.328 -6.275 609 HG22 THR 74 HG22 THR 74 -7.886 -6.004 -6.632 610 HG23 THR 74 HG23 THR 74 -8.828 -6.739 -7.930 611 H ALA 75 H ALA 75 -9.923 -2.640 -5.950 612 HA ALA 75 HA ALA 75 -7.162 -2.151 -5.885 613 HB1 ALA 75 HB1 ALA 75 -7.747 0.156 -6.352 614 HB2 ALA 75 HB2 ALA 75 -9.417 -0.156 -5.877 615 HB3 ALA 75 HB3 ALA 75 -8.747 -0.941 -7.307 616 H GLN 76 H GLN 76 -9.711 -1.332 -3.573 617 HA GLN 76 HA GLN 76 -8.259 0.334 -1.872 618 HB2 GLN 76 HB2 GLN 76 -10.665 -1.429 -1.594 619 HB3 GLN 76 HB3 GLN 76 -9.996 -0.660 -0.174 620 HG2 GLN 76 HG2 GLN 76 -11.921 0.413 -1.693 621 HG3 GLN 76 HG3 GLN 76 -10.808 1.366 -0.736 622 HE21 GLN 76 HE21 GLN 76 -9.190 2.536 -1.766 623 HE22 GLN 76 HE22 GLN 76 -9.202 2.817 -3.471 624 H ARG 77 H ARG 77 -8.399 -3.168 -2.075 625 HA ARG 77 HA ARG 77 -7.060 -3.560 0.443 626 HB2 ARG 77 HB2 ARG 77 -7.898 -5.409 -1.774 627 HB3 ARG 77 HB3 ARG 77 -6.841 -5.970 -0.488 628 HG2 ARG 77 HG2 ARG 77 -9.194 -6.517 -0.067 629 HG3 ARG 77 HG3 ARG 77 -8.526 -5.456 1.174 630 HD2 ARG 77 HD2 ARG 77 -9.578 -3.535 0.116 631 HD3 ARG 77 HD3 ARG 77 -10.201 -4.565 -1.169 632 HE ARG 77 HE ARG 77 -11.115 -5.551 1.298 633 HH11 ARG 77 HH11 ARG 77 -11.501 -2.777 -0.790 634 HH12 ARG 77 HH12 ARG 77 -13.128 -2.443 -0.282 635 HH21 ARG 77 HH21 ARG 77 -13.287 -5.155 1.938 636 HH22 ARG 77 HH22 ARG 77 -14.151 -3.818 1.233 637 H ASN 78 H ASN 78 -6.146 -3.303 -2.929 638 HA ASN 78 HA ASN 78 -3.455 -4.126 -2.538 639 HB2 ASN 78 HB2 ASN 78 -4.602 -4.172 -4.734 640 HB3 ASN 78 HB3 ASN 78 -4.651 -2.413 -4.720 641 HD21 ASN 78 HD21 ASN 78 -3.455 -2.233 -6.555 642 HD22 ASN 78 HD22 ASN 78 -1.772 -2.575 -6.590 643 H LEU 79 H LEU 79 -5.109 -0.998 -2.727 644 HA LEU 79 HA LEU 79 -2.872 0.648 -2.345 645 HB2 LEU 79 HB2 LEU 79 -5.767 1.014 -1.604 646 HB3 LEU 79 HB3 LEU 79 -4.567 2.257 -1.317 647 HG LEU 79 HG LEU 79 -5.310 1.138 -4.019 648 HD11 LEU 79 HD11 LEU 79 -7.082 2.507 -3.089 649 HD12 LEU 79 HD12 LEU 79 -6.277 3.355 -4.410 650 HD13 LEU 79 HD13 LEU 79 -5.927 3.793 -2.737 651 HD21 LEU 79 HD21 LEU 79 -3.450 3.384 -3.261 652 HD22 LEU 79 HD22 LEU 79 -3.902 2.922 -4.903 653 HD23 LEU 79 HD23 LEU 79 -2.970 1.811 -3.900 654 H SER 80 H SER 80 -4.831 -1.159 -0.081 655 HA SER 80 HA SER 80 -3.898 -0.059 2.307 656 HB2 SER 80 HB2 SER 80 -4.804 -2.879 1.704 657 HB3 SER 80 HB3 SER 80 -4.525 -2.256 3.329 658 HG SER 80 HG SER 80 -6.409 -1.282 1.431 659 H THR 81 H THR 81 -2.255 -2.221 0.086 660 HA THR 81 HA THR 81 -0.394 -3.213 2.013 661 HB THR 81 HB THR 81 -0.989 -4.221 -0.332 662 HG1 THR 81 HG1 THR 81 1.768 -4.187 0.347 663 HG21 THR 81 HG21 THR 81 0.660 -3.715 -2.078 664 HG22 THR 81 HG22 THR 81 1.326 -2.426 -1.075 665 HG23 THR 81 HG23 THR 81 -0.320 -2.299 -1.695 666 H ILE 82 H ILE 82 -0.436 -0.503 -0.246 667 HA ILE 82 HA ILE 82 2.196 0.405 0.439 668 HB ILE 82 HB ILE 82 -0.097 1.791 -0.969 669 HG12 ILE 82 HG12 ILE 82 2.531 0.770 -2.067 670 HG13 ILE 82 HG13 ILE 82 1.032 -0.143 -2.114 671 HG21 ILE 82 HG21 ILE 82 1.288 3.468 0.128 672 HG22 ILE 82 HG22 ILE 82 1.508 3.523 -1.620 673 HG23 ILE 82 HG23 ILE 82 2.735 2.770 -0.603 674 HD11 ILE 82 HD11 ILE 82 0.013 1.599 -3.490 675 HD12 ILE 82 HD12 ILE 82 1.474 0.951 -4.237 676 HD13 ILE 82 HD13 ILE 82 1.517 2.519 -3.431 677 H LYS 83 H LYS 83 -1.060 0.946 1.567 678 HA LYS 83 HA LYS 83 -0.711 3.222 3.141 679 HB2 LYS 83 HB2 LYS 83 -2.868 1.921 2.610 680 HB3 LYS 83 HB3 LYS 83 -2.441 0.910 3.985 681 HG2 LYS 83 HG2 LYS 83 -2.200 3.386 5.065 682 HG3 LYS 83 HG3 LYS 83 -3.504 3.642 3.904 683 HD2 LYS 83 HD2 LYS 83 -4.587 1.570 4.888 684 HD3 LYS 83 HD3 LYS 83 -3.398 1.683 6.185 685 HE2 LYS 83 HE2 LYS 83 -4.205 4.092 6.467 686 HE3 LYS 83 HE3 LYS 83 -5.570 3.623 5.455 687 HZ1 LYS 83 HZ1 LYS 83 -6.417 3.195 7.506 688 HZ2 LYS 83 HZ2 LYS 83 -4.915 2.813 8.188 689 HZ3 LYS 83 HZ3 LYS 83 -5.707 1.681 7.203 690 H ILE 84 H ILE 84 0.016 -0.161 3.843 691 HA ILE 84 HA ILE 84 0.595 0.110 6.570 692 HB ILE 84 HB ILE 84 1.950 -1.732 4.582 693 HG12 ILE 84 HG12 ILE 84 -0.465 -2.205 6.342 694 HG13 ILE 84 HG13 ILE 84 -0.519 -1.927 4.606 695 HG21 ILE 84 HG21 ILE 84 2.384 -3.152 6.548 696 HG22 ILE 84 HG22 ILE 84 1.721 -1.889 7.585 697 HG23 ILE 84 HG23 ILE 84 3.190 -1.587 6.660 698 HD11 ILE 84 HD11 ILE 84 0.703 -3.985 4.218 699 HD12 ILE 84 HD12 ILE 84 -0.745 -4.292 5.178 700 HD13 ILE 84 HD13 ILE 84 0.837 -4.252 5.956 701 H TYR 85 H TYR 85 2.608 0.664 3.715 702 HA TYR 85 HA TYR 85 5.019 1.171 5.153 703 HB2 TYR 85 HB2 TYR 85 4.920 0.519 2.736 704 HB3 TYR 85 HB3 TYR 85 4.257 2.109 2.376 705 HD1 TYR 85 HD1 TYR 85 7.243 0.333 3.630 706 HD2 TYR 85 HD2 TYR 85 5.682 4.000 2.144 707 HE1 TYR 85 HE1 TYR 85 9.528 1.201 3.394 708 HE2 TYR 85 HE2 TYR 85 7.968 4.882 1.905 709 HH TYR 85 HH TYR 85 10.209 4.477 2.833 710 H VAL 86 H VAL 86 2.580 3.228 3.630 711 HA VAL 86 HA VAL 86 3.665 5.718 4.311 712 HB VAL 86 HB VAL 86 0.758 4.958 3.975 713 HG11 VAL 86 HG11 VAL 86 1.011 7.123 5.078 714 HG12 VAL 86 HG12 VAL 86 0.393 7.320 3.438 715 HG13 VAL 86 HG13 VAL 86 2.087 7.665 3.790 716 HG21 VAL 86 HG21 VAL 86 1.045 5.736 1.667 717 HG22 VAL 86 HG22 VAL 86 2.088 4.362 2.033 718 HG23 VAL 86 HG23 VAL 86 2.763 5.990 1.974 719 H SER 87 H SER 87 1.231 3.751 5.961 720 HA SER 87 HA SER 87 0.804 5.482 8.124 721 HB2 SER 87 HB2 SER 87 0.193 2.645 7.478 722 HB3 SER 87 HB3 SER 87 0.066 3.131 9.174 723 HG SER 87 HG SER 87 -1.071 4.935 7.477 724 H ALA 88 H ALA 88 3.105 2.808 7.703 725 HA ALA 88 HA ALA 88 4.163 2.891 10.328 726 HB1 ALA 88 HB1 ALA 88 4.574 1.016 8.813 727 HB2 ALA 88 HB2 ALA 88 6.090 1.707 9.393 728 HB3 ALA 88 HB3 ALA 88 5.524 2.066 7.761 729 H ALA 89 H ALA 89 4.889 4.640 7.370 730 HA ALA 89 HA ALA 89 7.143 6.053 8.355 731 HB1 ALA 89 HB1 ALA 89 6.710 5.802 5.965 732 HB2 ALA 89 HB2 ALA 89 6.855 7.501 6.416 733 HB3 ALA 89 HB3 ALA 89 5.264 6.800 6.122 734 H ILE 90 H ILE 90 3.738 6.503 8.717 735 HA ILE 90 HA ILE 90 3.958 9.215 9.648 736 HB ILE 90 HB ILE 90 1.679 7.257 10.037 737 HG12 ILE 90 HG12 ILE 90 1.942 9.412 7.934 738 HG13 ILE 90 HG13 ILE 90 2.308 7.716 7.638 739 HG21 ILE 90 HG21 ILE 90 1.615 9.151 11.579 740 HG22 ILE 90 HG22 ILE 90 0.309 9.244 10.398 741 HG23 ILE 90 HG23 ILE 90 1.733 10.268 10.219 742 HD11 ILE 90 HD11 ILE 90 -0.001 7.132 8.172 743 HD12 ILE 90 HD12 ILE 90 0.095 8.287 6.843 744 HD13 ILE 90 HD13 ILE 90 -0.361 8.836 8.455 745 H LYS 91 H LYS 91 3.807 6.005 11.058 746 HA LYS 91 HA LYS 91 3.488 6.954 13.745 747 HB2 LYS 91 HB2 LYS 91 2.800 4.673 12.632 748 HB3 LYS 91 HB3 LYS 91 4.426 4.188 13.084 749 HG2 LYS 91 HG2 LYS 91 2.416 5.285 15.032 750 HG3 LYS 91 HG3 LYS 91 2.633 3.567 14.709 751 HD2 LYS 91 HD2 LYS 91 4.954 3.711 15.452 752 HD3 LYS 91 HD3 LYS 91 4.761 5.441 15.745 753 HE2 LYS 91 HE2 LYS 91 3.041 4.962 17.416 754 HE3 LYS 91 HE3 LYS 91 3.230 3.235 17.115 755 HZ1 LYS 91 HZ1 LYS 91 5.311 5.057 18.210 756 HZ2 LYS 91 HZ2 LYS 91 5.536 3.415 17.864 757 HZ3 LYS 91 HZ3 LYS 91 4.449 3.880 19.069 758 H LYS 92 H LYS 92 6.215 5.624 11.858 759 HA LYS 92 HA LYS 92 8.032 6.685 13.890 760 HB2 LYS 92 HB2 LYS 92 9.328 4.541 13.775 761 HB3 LYS 92 HB3 LYS 92 7.783 4.432 14.597 762 HG2 LYS 92 HG2 LYS 92 6.803 3.478 12.546 763 HG3 LYS 92 HG3 LYS 92 8.396 3.527 11.792 764 HD2 LYS 92 HD2 LYS 92 7.704 1.994 14.299 765 HD3 LYS 92 HD3 LYS 92 7.845 1.298 12.685 766 HE2 LYS 92 HE2 LYS 92 10.191 1.995 12.593 767 HE3 LYS 92 HE3 LYS 92 10.047 2.682 14.212 768 HZ1 LYS 92 HZ1 LYS 92 11.066 0.475 14.213 769 HZ2 LYS 92 HZ2 LYS 92 9.660 -0.187 13.533 770 HZ3 LYS 92 HZ3 LYS 92 9.614 0.491 15.087 771 H GLY 93 H GLY 93 7.391 7.544 11.180 772 HA2 GLY 93 HA2 GLY 93 10.022 7.072 9.912 773 HA3 GLY 93 HA3 GLY 93 8.537 7.267 8.992 774 H TYR 94 H TYR 94 7.733 9.289 8.612 775 HA TYR 94 HA TYR 94 9.093 11.615 9.699 776 HB2 TYR 94 HB2 TYR 94 10.424 10.870 7.722 777 HB3 TYR 94 HB3 TYR 94 9.002 11.101 6.720 778 HD1 TYR 94 HD1 TYR 94 11.613 12.809 8.663 779 HD2 TYR 94 HD2 TYR 94 8.248 13.310 6.107 780 HE1 TYR 94 HE1 TYR 94 12.202 15.179 8.359 781 HE2 TYR 94 HE2 TYR 94 8.825 15.677 5.795 782 HH TYR 94 HH TYR 94 10.086 17.444 7.098 783 H MET 95 H MET 95 6.566 10.191 7.766 784 HA MET 95 HA MET 95 5.148 12.400 6.928 785 HB2 MET 95 HB2 MET 95 4.146 9.685 7.780 786 HB3 MET 95 HB3 MET 95 3.166 10.881 6.951 787 HG2 MET 95 HG2 MET 95 5.663 9.603 5.877 788 HG3 MET 95 HG3 MET 95 4.010 9.207 5.411 789 HE1 MET 95 HE1 MET 95 2.841 12.434 3.574 790 HE2 MET 95 HE2 MET 95 2.561 11.956 5.248 791 HE3 MET 95 HE3 MET 95 2.453 10.756 3.959 792 H GLU 96 H GLU 96 3.839 13.839 7.829 793 HA GLU 96 HA GLU 96 3.809 14.013 10.697 794 HB2 GLU 96 HB2 GLU 96 4.107 15.950 9.109 795 HB3 GLU 96 HB3 GLU 96 2.408 15.790 8.695 796 HG2 GLU 96 HG2 GLU 96 1.748 16.323 10.929 797 HG3 GLU 96 HG3 GLU 96 3.427 16.308 11.476 798 H ASN 97 H ASN 97 1.390 13.608 8.137 799 HA ASN 97 HA ASN 97 -0.397 12.362 10.081 800 HB2 ASN 97 HB2 ASN 97 -1.239 14.598 8.218 801 HB3 ASN 97 HB3 ASN 97 -2.351 13.590 9.135 802 HD21 ASN 97 HD21 ASN 97 -2.379 13.778 11.415 803 HD22 ASN 97 HD22 ASN 97 -1.812 15.217 12.191 804 H ASP 98 H ASP 98 -2.336 11.410 8.862 805 HA ASP 98 HA ASP 98 -1.313 9.879 6.645 806 HB2 ASP 98 HB2 ASP 98 -3.590 8.756 6.880 807 HB3 ASP 98 HB3 ASP 98 -2.489 8.595 8.239 808 HA PRO 99 HA PRO 99 -3.071 12.396 3.555 809 HB2 PRO 99 HB2 PRO 99 -3.095 10.697 1.472 810 HB3 PRO 99 HB3 PRO 99 -1.589 11.283 2.190 811 HG2 PRO 99 HG2 PRO 99 -2.993 8.671 2.597 812 HG3 PRO 99 HG3 PRO 99 -1.264 8.988 2.364 813 HD2 PRO 99 HD2 PRO 99 -2.402 8.558 4.809 814 HD3 PRO 99 HD3 PRO 99 -0.943 9.538 4.568 815 H PHE 100 H PHE 100 -4.889 9.863 4.850 816 HA PHE 100 HA PHE 100 -7.104 10.340 2.984 817 HB2 PHE 100 HB2 PHE 100 -8.131 8.339 3.927 818 HB3 PHE 100 HB3 PHE 100 -6.545 8.024 3.260 819 HD1 PHE 100 HD2 PHE 100 -4.689 7.412 4.694 820 HD2 PHE 100 HD1 PHE 100 -8.574 8.125 6.278 821 HE1 PHE 100 HE2 PHE 100 -4.038 6.292 6.782 822 HE2 PHE 100 HE1 PHE 100 -7.930 7.001 8.368 823 HZ PHE 100 HZ PHE 100 -5.659 6.080 8.621 824 H LYS 101 H LYS 101 -5.988 11.459 5.776 825 HA LYS 101 HA LYS 101 -8.132 11.748 7.495 826 HB2 LYS 101 HB2 LYS 101 -5.606 13.119 6.977 827 HB3 LYS 101 HB3 LYS 101 -6.839 14.175 7.615 828 HG2 LYS 101 HG2 LYS 101 -5.680 11.717 8.882 829 HG3 LYS 101 HG3 LYS 101 -5.584 13.382 9.452 830 HD2 LYS 101 HD2 LYS 101 -7.219 12.576 10.841 831 HD3 LYS 101 HD3 LYS 101 -8.217 13.145 9.502 832 HE2 LYS 101 HE2 LYS 101 -8.359 10.912 8.598 833 HE3 LYS 101 HE3 LYS 101 -7.232 10.311 9.812 834 HZ1 LYS 101 HZ1 LYS 101 -9.479 9.758 10.417 835 HZ2 LYS 101 HZ2 LYS 101 -9.958 11.385 10.330 836 HZ3 LYS 101 HZ3 LYS 101 -8.862 10.883 11.524 837 H ASP 102 H ASP 102 -7.222 13.668 4.677 838 HA ASP 102 HA ASP 102 -9.713 15.225 4.904 839 HB2 ASP 102 HB2 ASP 102 -7.482 16.403 4.891 840 HB3 ASP 102 HB3 ASP 102 -7.255 15.838 3.246 841 H PHE 103 H PHE 103 -9.146 12.495 3.748 842 HA PHE 103 HA PHE 103 -9.135 12.512 0.955 843 HB2 PHE 103 HB2 PHE 103 -8.765 10.546 2.549 844 HB3 PHE 103 HB3 PHE 103 -10.516 10.404 2.610 845 HD1 PHE 103 HD2 PHE 103 -11.771 9.858 0.518 846 HD2 PHE 103 HD1 PHE 103 -7.521 9.711 0.729 847 HE1 PHE 103 HE2 PHE 103 -11.721 8.458 -1.506 848 HE2 PHE 103 HE1 PHE 103 -7.467 8.307 -1.292 849 HZ PHE 103 HZ PHE 103 -9.567 7.682 -2.412 850 H GLY 104 H GLY 104 -11.892 12.614 3.211 851 HA2 GLY 104 HA2 GLY 104 -13.538 13.873 1.270 852 HA3 GLY 104 HA3 GLY 104 -13.936 12.169 1.375 853 H LEU 105 H LEU 105 -14.134 11.438 3.805 854 HA LEU 105 HA LEU 105 -16.502 12.596 4.721 855 HB2 LEU 105 HB2 LEU 105 -15.651 10.249 5.133 856 HB3 LEU 105 HB3 LEU 105 -14.609 10.920 6.368 857 HG LEU 105 HG LEU 105 -17.583 11.327 6.513 858 HD11 LEU 105 HD11 LEU 105 -16.045 8.933 7.511 859 HD12 LEU 105 HD12 LEU 105 -17.256 8.936 6.228 860 HD13 LEU 105 HD13 LEU 105 -17.729 9.304 7.887 861 HD21 LEU 105 HD21 LEU 105 -17.130 11.425 8.916 862 HD22 LEU 105 HD22 LEU 105 -16.170 12.617 8.038 863 HD23 LEU 105 HD23 LEU 105 -15.418 11.127 8.609 864 H GLU 106 H GLU 106 -13.183 12.937 5.931 865 HA GLU 106 HA GLU 106 -14.131 15.197 7.554 866 HB2 GLU 106 HB2 GLU 106 -11.551 13.652 7.872 867 HB3 GLU 106 HB3 GLU 106 -12.150 14.923 8.933 868 HG2 GLU 106 HG2 GLU 106 -14.156 13.442 9.345 869 HG3 GLU 106 HG3 GLU 106 -13.254 12.159 8.539 870 H HIS 107 H HIS 107 -13.439 17.187 7.095 871 HA HIS 107 HA HIS 107 -11.163 17.466 5.247 872 HB2 HIS 107 HB2 HIS 107 -13.872 18.727 5.091 873 HB3 HIS 107 HB3 HIS 107 -12.478 19.627 4.511 874 HD1 HIS 107 HD1 HIS 107 -14.480 18.997 2.426 875 HD2 HIS 107 HD2 HIS 107 -11.450 16.336 3.444 876 HE1 HIS 107 HE1 HIS 107 -14.186 17.503 0.423 877 HE2 HIS 107 HE2 HIS 107 -12.210 16.047 0.992 878 H HIS 108 H HIS 108 -9.814 19.193 5.570 879 HA HIS 108 HA HIS 108 -8.693 20.813 6.704 880 HB2 HIS 108 HB2 HIS 108 -10.875 22.051 6.335 881 HB3 HIS 108 HB3 HIS 108 -11.350 21.553 7.955 882 HD1 HIS 108 HD1 HIS 108 -10.290 22.796 9.938 883 HD2 HIS 108 HD2 HIS 108 -8.862 24.033 6.232 884 HE1 HIS 108 HE1 HIS 108 -9.029 24.925 10.372 885 HE2 HIS 108 HE2 HIS 108 -8.389 25.770 8.092 886 H HIS 109 H HIS 109 -8.563 18.314 7.738 887 HA HIS 109 HA HIS 109 -7.757 17.213 9.554 888 HB2 HIS 109 HB2 HIS 109 -6.446 19.201 10.013 889 HB3 HIS 109 HB3 HIS 109 -7.818 19.979 10.785 890 HD1 HIS 109 HD1 HIS 109 -7.672 19.968 13.231 891 HD2 HIS 109 HD2 HIS 109 -5.745 16.675 11.579 892 HE1 HIS 109 HE1 HIS 109 -6.687 18.712 15.178 893 HE2 HIS 109 HE2 HIS 109 -5.693 16.623 14.169 894 H HIS 110 H HIS 110 -10.761 18.332 9.265 895 HA HIS 110 HA HIS 110 -12.767 17.849 10.207 896 HB2 HIS 110 HB2 HIS 110 -12.165 15.588 10.594 897 HB3 HIS 110 HB3 HIS 110 -11.059 16.018 11.892 898 HD1 HIS 110 HD1 HIS 110 -11.944 15.800 14.189 899 HD2 HIS 110 HD2 HIS 110 -14.989 15.991 11.365 900 HE1 HIS 110 HE1 HIS 110 -14.071 15.370 15.458 901 HE2 HIS 110 HE2 HIS 110 -15.885 15.330 13.709 902 H HIS 111 H HIS 111 -13.952 19.187 11.397 903 HA HIS 111 HA HIS 111 -12.814 21.156 13.017 904 HB2 HIS 111 HB2 HIS 111 -15.080 21.247 11.914 905 HB3 HIS 111 HB3 HIS 111 -15.676 20.194 13.192 906 HD1 HIS 111 HD1 HIS 111 -16.230 21.272 15.434 907 HD2 HIS 111 HD2 HIS 111 -14.354 23.870 12.782 908 HE1 HIS 111 HE1 HIS 111 -16.450 23.556 16.453 909 HE2 HIS 111 HE2 HIS 111 -15.141 25.076 14.931 910 H HIS 112 H HIS 112 -11.831 20.902 14.881 911 HA HIS 112 HA HIS 112 -12.532 18.627 16.580 912 HB2 HIS 112 HB2 HIS 112 -10.132 19.205 15.751 913 HB3 HIS 112 HB3 HIS 112 -10.173 20.441 17.000 914 HD1 HIS 112 HD1 HIS 112 -9.756 16.809 16.470 915 HD2 HIS 112 HD2 HIS 112 -10.246 19.421 19.670 916 HE1 HIS 112 HE1 HIS 112 -9.073 15.512 18.513 917 HE2 HIS 112 HE2 HIS 112 -9.236 17.157 20.412 Start of MODEL 17 1 H1 MET 1 H1 MET 1 28.238 -9.711 6.027 2 H2 MET 1 H2 MET 1 27.614 -9.301 7.552 3 H3 MET 1 H3 MET 1 28.345 -8.116 6.589 4 HA MET 1 HA MET 1 26.625 -8.289 4.955 5 HB2 MET 1 HB2 MET 1 24.616 -9.638 5.411 6 HB3 MET 1 HB3 MET 1 26.050 -10.639 5.249 7 HG2 MET 1 HG2 MET 1 26.184 -10.865 7.666 8 HG3 MET 1 HG3 MET 1 24.768 -9.829 7.848 9 HE1 MET 1 HE1 MET 1 23.376 -13.354 8.842 10 HE2 MET 1 HE2 MET 1 23.561 -11.670 9.331 11 HE3 MET 1 HE3 MET 1 24.981 -12.704 9.185 12 H ASN 2 H ASN 2 25.586 -6.446 5.095 13 HA ASN 2 HA ASN 2 24.006 -5.695 7.366 14 HB2 ASN 2 HB2 ASN 2 26.553 -5.226 7.876 15 HB3 ASN 2 HB3 ASN 2 26.304 -3.841 6.821 16 HD21 ASN 2 HD21 ASN 2 26.857 -4.152 9.725 17 HD22 ASN 2 HD22 ASN 2 25.644 -3.190 10.508 18 H ASN 3 H ASN 3 24.134 -2.867 6.806 19 HA ASN 3 HA ASN 3 23.251 -1.287 5.437 20 HB2 ASN 3 HB2 ASN 3 25.062 -1.864 3.884 21 HB3 ASN 3 HB3 ASN 3 24.090 -3.168 3.214 22 HD21 ASN 3 HD21 ASN 3 24.155 -2.328 1.162 23 HD22 ASN 3 HD22 ASN 3 23.287 -0.901 0.702 24 HA PRO 4 HA PRO 4 19.381 -3.698 5.227 25 HB2 PRO 4 HB2 PRO 4 17.953 -2.249 6.962 26 HB3 PRO 4 HB3 PRO 4 19.189 -3.389 7.506 27 HG2 PRO 4 HG2 PRO 4 19.314 -0.414 7.291 28 HG3 PRO 4 HG3 PRO 4 19.987 -1.477 8.539 29 HD2 PRO 4 HD2 PRO 4 21.408 -0.384 6.412 30 HD3 PRO 4 HD3 PRO 4 21.915 -1.787 7.373 31 H SER 5 H SER 5 20.153 -0.494 4.350 32 HA SER 5 HA SER 5 17.495 0.302 3.581 33 HB2 SER 5 HB2 SER 5 18.738 2.257 2.547 34 HB3 SER 5 HB3 SER 5 18.966 2.052 4.284 35 HG SER 5 HG SER 5 21.009 2.033 3.829 36 H ASP 6 H ASP 6 17.780 -2.034 2.413 37 HA ASP 6 HA ASP 6 18.868 -1.681 -0.271 38 HB2 ASP 6 HB2 ASP 6 19.258 -3.733 1.288 39 HB3 ASP 6 HB3 ASP 6 17.661 -4.232 0.741 40 H PHE 7 H PHE 7 16.084 -1.005 1.138 41 HA PHE 7 HA PHE 7 14.357 -1.921 -1.008 42 HB2 PHE 7 HB2 PHE 7 13.442 -0.053 1.136 43 HB3 PHE 7 HB3 PHE 7 12.569 -1.306 0.297 44 HD1 PHE 7 HD2 PHE 7 13.078 -3.719 0.793 45 HD2 PHE 7 HD1 PHE 7 14.412 -0.509 3.244 46 HE1 PHE 7 HE2 PHE 7 13.432 -5.291 2.651 47 HE2 PHE 7 HE1 PHE 7 14.769 -2.077 5.108 48 HZ PHE 7 HZ PHE 7 14.278 -4.470 4.812 49 H LYS 8 H LYS 8 13.969 -0.703 -2.730 50 HA LYS 8 HA LYS 8 15.101 1.965 -2.820 51 HB2 LYS 8 HB2 LYS 8 13.813 0.272 -4.962 52 HB3 LYS 8 HB3 LYS 8 14.603 1.814 -5.225 53 HG2 LYS 8 HG2 LYS 8 16.729 0.890 -4.562 54 HG3 LYS 8 HG3 LYS 8 15.963 -0.645 -4.153 55 HD2 LYS 8 HD2 LYS 8 15.858 0.547 -6.916 56 HD3 LYS 8 HD3 LYS 8 17.157 -0.522 -6.393 57 HE2 LYS 8 HE2 LYS 8 15.521 -1.814 -7.581 58 HE3 LYS 8 HE3 LYS 8 15.459 -2.252 -5.876 59 HZ1 LYS 8 HZ1 LYS 8 13.601 -0.304 -7.134 60 HZ2 LYS 8 HZ2 LYS 8 13.469 -1.020 -5.603 61 HZ3 LYS 8 HZ3 LYS 8 13.260 -1.958 -6.993 62 H SER 9 H SER 9 12.010 0.453 -2.519 63 HA SER 9 HA SER 9 10.651 2.989 -3.059 64 HB2 SER 9 HB2 SER 9 9.852 0.464 -4.515 65 HB3 SER 9 HB3 SER 9 9.190 2.083 -4.734 66 HG SER 9 HG SER 9 11.432 2.663 -5.364 67 H PHE 10 H PHE 10 8.176 2.634 -2.833 68 HA PHE 10 HA PHE 10 7.631 1.814 -0.231 69 HB2 PHE 10 HB2 PHE 10 5.267 2.117 -0.794 70 HB3 PHE 10 HB3 PHE 10 6.244 3.435 -1.420 71 HD1 PHE 10 HD2 PHE 10 6.708 3.580 -3.844 72 HD2 PHE 10 HD1 PHE 10 4.020 0.705 -2.228 73 HE1 PHE 10 HE2 PHE 10 5.745 3.230 -6.078 74 HE2 PHE 10 HE1 PHE 10 3.048 0.350 -4.460 75 HZ PHE 10 HZ PHE 10 3.913 1.613 -6.389 76 H HIS 11 H HIS 11 7.277 0.043 -3.277 77 HA HIS 11 HA HIS 11 5.784 -2.087 -2.187 78 HB2 HIS 11 HB2 HIS 11 6.125 -3.279 -4.200 79 HB3 HIS 11 HB3 HIS 11 6.051 -1.589 -4.666 80 HD1 HIS 11 HD1 HIS 11 8.601 -4.362 -4.168 81 HD2 HIS 11 HD2 HIS 11 8.182 -0.713 -6.118 82 HE1 HIS 11 HE1 HIS 11 10.595 -4.169 -5.675 83 HE2 HIS 11 HE2 HIS 11 10.234 -2.043 -6.970 84 H ASP 12 H ASP 12 9.142 -1.323 -2.104 85 HA ASP 12 HA ASP 12 9.978 -3.941 -1.261 86 HB2 ASP 12 HB2 ASP 12 11.395 -1.274 -1.122 87 HB3 ASP 12 HB3 ASP 12 12.128 -2.833 -0.786 88 H PHE 13 H PHE 13 9.475 -0.779 0.270 89 HA PHE 13 HA PHE 13 10.175 -1.510 2.879 90 HB2 PHE 13 HB2 PHE 13 8.587 0.695 1.632 91 HB3 PHE 13 HB3 PHE 13 8.576 0.512 3.375 92 HD1 PHE 13 HD2 PHE 13 10.711 0.692 4.645 93 HD2 PHE 13 HD1 PHE 13 10.440 1.611 0.501 94 HE1 PHE 13 HE2 PHE 13 12.836 1.920 4.785 95 HE2 PHE 13 HE1 PHE 13 12.567 2.843 0.631 96 HZ PHE 13 HZ PHE 13 13.769 2.998 2.776 97 H VAL 14 H VAL 14 6.992 -1.296 1.296 98 HA VAL 14 HA VAL 14 5.493 -2.138 3.536 99 HB VAL 14 HB VAL 14 4.784 -2.297 0.598 100 HG11 VAL 14 HG11 VAL 14 3.414 -3.819 1.965 101 HG12 VAL 14 HG12 VAL 14 2.466 -2.482 1.316 102 HG13 VAL 14 HG13 VAL 14 2.970 -2.467 3.005 103 HG21 VAL 14 HG21 VAL 14 4.142 -0.223 2.692 104 HG22 VAL 14 HG22 VAL 14 3.506 -0.243 1.047 105 HG23 VAL 14 HG23 VAL 14 5.234 -0.025 1.322 106 H ALA 15 H ALA 15 7.109 -3.897 0.951 107 HA ALA 15 HA ALA 15 5.910 -6.404 1.391 108 HB1 ALA 15 HB1 ALA 15 7.221 -5.903 -0.610 109 HB2 ALA 15 HB2 ALA 15 7.822 -7.348 0.207 110 HB3 ALA 15 HB3 ALA 15 8.684 -5.817 0.370 111 H SER 16 H SER 16 8.763 -4.874 2.818 112 HA SER 16 HA SER 16 9.566 -7.136 4.335 113 HB2 SER 16 HB2 SER 16 11.054 -5.206 3.770 114 HB3 SER 16 HB3 SER 16 10.141 -4.218 4.910 115 HG SER 16 HG SER 16 11.678 -4.943 6.198 116 H TYR 17 H TYR 17 7.634 -4.258 5.119 117 HA TYR 17 HA TYR 17 7.116 -4.889 7.813 118 HB2 TYR 17 HB2 TYR 17 6.688 -2.673 6.840 119 HB3 TYR 17 HB3 TYR 17 5.421 -3.353 5.829 120 HD1 TYR 17 HD1 TYR 17 6.359 -2.556 9.313 121 HD2 TYR 17 HD2 TYR 17 3.221 -3.685 6.674 122 HE1 TYR 17 HE1 TYR 17 4.714 -2.095 11.083 123 HE2 TYR 17 HE2 TYR 17 1.566 -3.228 8.435 124 HH TYR 17 HH TYR 17 2.271 -1.509 11.232 125 H MET 18 H MET 18 5.392 -5.635 4.838 126 HA MET 18 HA MET 18 3.193 -7.001 5.913 127 HB2 MET 18 HB2 MET 18 3.567 -6.185 3.531 128 HB3 MET 18 HB3 MET 18 4.558 -7.612 3.287 129 HG2 MET 18 HG2 MET 18 2.483 -8.188 2.423 130 HG3 MET 18 HG3 MET 18 2.506 -8.938 4.019 131 HE1 MET 18 HE1 MET 18 1.153 -5.895 1.892 132 HE2 MET 18 HE2 MET 18 2.034 -5.125 3.210 133 HE3 MET 18 HE3 MET 18 0.275 -4.992 3.126 134 H LYS 19 H LYS 19 6.316 -8.175 4.754 135 HA LYS 19 HA LYS 19 6.013 -10.904 5.246 136 HB2 LYS 19 HB2 LYS 19 7.827 -9.873 3.920 137 HB3 LYS 19 HB3 LYS 19 8.515 -9.207 5.388 138 HG2 LYS 19 HG2 LYS 19 8.162 -12.160 5.056 139 HG3 LYS 19 HG3 LYS 19 9.553 -11.321 4.370 140 HD2 LYS 19 HD2 LYS 19 10.035 -10.419 6.639 141 HD3 LYS 19 HD3 LYS 19 8.740 -11.435 7.271 142 HE2 LYS 19 HE2 LYS 19 10.824 -12.552 7.611 143 HE3 LYS 19 HE3 LYS 19 9.922 -13.413 6.368 144 HZ1 LYS 19 HZ1 LYS 19 11.297 -12.558 4.687 145 HZ2 LYS 19 HZ2 LYS 19 12.366 -13.017 5.923 146 HZ3 LYS 19 HZ3 LYS 19 11.973 -11.387 5.703 147 H THR 20 H THR 20 6.940 -8.274 7.388 148 HA THR 20 HA THR 20 7.980 -9.792 9.490 149 HB THR 20 HB THR 20 6.615 -7.099 9.628 150 HG1 THR 20 HG1 THR 20 8.477 -7.211 8.232 151 HG21 THR 20 HG21 THR 20 8.535 -8.400 11.564 152 HG22 THR 20 HG22 THR 20 6.807 -8.179 11.834 153 HG23 THR 20 HG23 THR 20 7.865 -6.773 11.697 154 H TYR 21 H TYR 21 4.629 -8.520 9.108 155 HA TYR 21 HA TYR 21 3.846 -9.955 11.488 156 HB2 TYR 21 HB2 TYR 21 1.887 -8.747 11.447 157 HB3 TYR 21 HB3 TYR 21 2.979 -7.638 10.646 158 HD1 TYR 21 HD2 TYR 21 2.865 -7.412 8.141 159 HD2 TYR 21 HD1 TYR 21 -0.035 -9.596 10.366 160 HE1 TYR 21 HE2 TYR 21 1.309 -7.279 6.243 161 HE2 TYR 21 HE1 TYR 21 -1.595 -9.464 8.472 162 HH TYR 21 HH TYR 21 -1.974 -7.984 6.488 163 H SER 22 H SER 22 4.062 -10.616 8.181 164 HA SER 22 HA SER 22 1.959 -12.474 7.835 165 HB2 SER 22 HB2 SER 22 3.174 -11.540 5.936 166 HB3 SER 22 HB3 SER 22 4.668 -12.301 6.481 167 HG SER 22 HG SER 22 3.019 -14.267 6.333 168 H ARG 23 H ARG 23 4.709 -12.651 9.782 169 HA ARG 23 HA ARG 23 5.393 -15.376 9.564 170 HB2 ARG 23 HB2 ARG 23 5.639 -13.539 11.949 171 HB3 ARG 23 HB3 ARG 23 6.456 -15.079 11.754 172 HG2 ARG 23 HG2 ARG 23 7.623 -14.178 9.777 173 HG3 ARG 23 HG3 ARG 23 6.846 -12.619 10.066 174 HD2 ARG 23 HD2 ARG 23 8.978 -12.439 11.034 175 HD3 ARG 23 HD3 ARG 23 7.876 -12.710 12.383 176 HE ARG 23 HE ARG 23 9.441 -14.909 11.193 177 HH11 ARG 23 HH11 ARG 23 8.313 -13.118 13.992 178 HH12 ARG 23 HH12 ARG 23 9.182 -14.108 15.127 179 HH21 ARG 23 HH21 ARG 23 10.618 -16.180 12.706 180 HH22 ARG 23 HH22 ARG 23 10.469 -15.829 14.403 181 H ARG 24 H ARG 24 2.738 -13.789 11.043 182 HA ARG 24 HA ARG 24 2.099 -16.012 12.790 183 HB2 ARG 24 HB2 ARG 24 0.504 -13.523 12.175 184 HB3 ARG 24 HB3 ARG 24 0.143 -14.693 13.434 185 HG2 ARG 24 HG2 ARG 24 2.306 -14.129 14.508 186 HG3 ARG 24 HG3 ARG 24 2.528 -12.863 13.296 187 HD2 ARG 24 HD2 ARG 24 0.352 -11.894 14.015 188 HD3 ARG 24 HD3 ARG 24 0.296 -13.093 15.304 189 HE ARG 24 HE ARG 24 2.551 -11.210 15.144 190 HH11 ARG 24 HH11 ARG 24 -0.133 -12.627 16.879 191 HH12 ARG 24 HH12 ARG 24 0.099 -11.661 18.306 192 HH21 ARG 24 HH21 ARG 24 2.861 -9.907 17.016 193 HH22 ARG 24 HH22 ARG 24 1.813 -10.122 18.390 194 H LEU 25 H LEU 25 0.920 -14.630 9.756 195 HA LEU 25 HA LEU 25 -1.320 -16.460 9.735 196 HB2 LEU 25 HB2 LEU 25 -1.886 -15.160 7.620 197 HB3 LEU 25 HB3 LEU 25 -2.002 -14.317 9.141 198 HG LEU 25 HG LEU 25 0.366 -13.443 8.583 199 HD11 LEU 25 HD11 LEU 25 0.791 -14.965 6.720 200 HD12 LEU 25 HD12 LEU 25 0.872 -13.274 6.223 201 HD13 LEU 25 HD13 LEU 25 -0.551 -14.242 5.835 202 HD21 LEU 25 HD21 LEU 25 -2.029 -12.546 6.992 203 HD22 LEU 25 HD22 LEU 25 -0.581 -11.592 7.312 204 HD23 LEU 25 HD23 LEU 25 -1.640 -12.061 8.642 205 H GLU 26 H GLU 26 -1.875 -17.330 7.503 206 HA GLU 26 HA GLU 26 0.350 -18.941 6.590 207 HB2 GLU 26 HB2 GLU 26 -1.391 -20.119 5.305 208 HB3 GLU 26 HB3 GLU 26 -1.774 -20.030 7.016 209 HG2 GLU 26 HG2 GLU 26 -3.363 -18.293 6.634 210 HG3 GLU 26 HG3 GLU 26 -2.872 -18.144 4.948 211 H ILE 27 H ILE 27 0.488 -19.350 4.185 212 HA ILE 27 HA ILE 27 1.084 -16.910 2.861 213 HB ILE 27 HB ILE 27 0.878 -19.720 1.761 214 HG12 ILE 27 HG12 ILE 27 2.578 -19.481 3.503 215 HG13 ILE 27 HG13 ILE 27 3.336 -19.703 1.930 216 HG21 ILE 27 HG21 ILE 27 0.657 -18.075 -0.029 217 HG22 ILE 27 HG22 ILE 27 2.201 -18.920 -0.133 218 HG23 ILE 27 HG23 ILE 27 2.134 -17.279 0.510 219 HD11 ILE 27 HD11 ILE 27 4.499 -18.020 3.228 220 HD12 ILE 27 HD12 ILE 27 3.011 -17.086 3.382 221 HD13 ILE 27 HD13 ILE 27 3.758 -17.303 1.799 222 H GLY 28 H GLY 28 -1.701 -18.990 2.938 223 HA2 GLY 28 HA2 GLY 28 -3.003 -18.343 0.580 224 HA3 GLY 28 HA3 GLY 28 -3.818 -18.765 2.076 225 H THR 29 H THR 29 -3.373 -16.666 3.712 226 HA THR 29 HA THR 29 -5.019 -14.643 2.501 227 HB THR 29 HB THR 29 -5.463 -15.287 4.806 228 HG1 THR 29 HG1 THR 29 -5.588 -13.195 5.673 229 HG21 THR 29 HG21 THR 29 -3.920 -14.697 6.622 230 HG22 THR 29 HG22 THR 29 -2.724 -14.185 5.430 231 HG23 THR 29 HG23 THR 29 -3.212 -15.877 5.520 232 H PHE 30 H PHE 30 -1.675 -14.910 3.612 233 HA PHE 30 HA PHE 30 -0.792 -12.318 3.279 234 HB2 PHE 30 HB2 PHE 30 0.595 -14.091 4.205 235 HB3 PHE 30 HB3 PHE 30 0.645 -14.903 2.646 236 HD1 PHE 30 HD1 PHE 30 1.267 -11.408 3.827 237 HD2 PHE 30 HD2 PHE 30 2.696 -14.784 1.670 238 HE1 PHE 30 HE1 PHE 30 3.324 -10.177 3.269 239 HE2 PHE 30 HE2 PHE 30 4.752 -13.559 1.108 240 HZ PHE 30 HZ PHE 30 5.070 -11.253 1.907 241 H ARG 31 H ARG 31 -0.865 -14.885 0.801 242 HA ARG 31 HA ARG 31 0.202 -13.261 -1.258 243 HB2 ARG 31 HB2 ARG 31 -0.283 -15.060 -2.746 244 HB3 ARG 31 HB3 ARG 31 0.191 -15.785 -1.216 245 HG2 ARG 31 HG2 ARG 31 -2.145 -16.186 -0.664 246 HG3 ARG 31 HG3 ARG 31 -2.642 -15.421 -2.173 247 HD2 ARG 31 HD2 ARG 31 -1.315 -17.170 -3.384 248 HD3 ARG 31 HD3 ARG 31 -1.087 -17.978 -1.833 249 HE ARG 31 HE ARG 31 -3.823 -17.529 -2.166 250 HH11 ARG 31 HH11 ARG 31 -1.262 -19.429 -3.629 251 HH12 ARG 31 HH12 ARG 31 -2.334 -20.683 -4.175 252 HH21 ARG 31 HH21 ARG 31 -5.220 -19.179 -2.853 253 HH22 ARG 31 HH22 ARG 31 -4.597 -20.539 -3.738 254 H HIS 32 H HIS 32 -2.990 -13.643 0.005 255 HA HIS 32 HA HIS 32 -4.513 -13.028 -2.262 256 HB2 HIS 32 HB2 HIS 32 -5.471 -13.967 -0.200 257 HB3 HIS 32 HB3 HIS 32 -5.149 -12.456 0.640 258 HD1 HIS 32 HD1 HIS 32 -7.482 -11.671 1.112 259 HD2 HIS 32 HD2 HIS 32 -6.937 -12.752 -2.869 260 HE1 HIS 32 HE1 HIS 32 -9.589 -10.971 -0.080 261 HE2 HIS 32 HE2 HIS 32 -9.177 -11.508 -2.515 262 H HIS 33 H HIS 33 -2.874 -10.938 0.050 263 HA HIS 33 HA HIS 33 -3.745 -8.638 -1.568 264 HB2 HIS 33 HB2 HIS 33 -3.119 -7.226 0.410 265 HB3 HIS 33 HB3 HIS 33 -4.467 -8.316 0.693 266 HD1 HIS 33 HD1 HIS 33 -4.348 -9.634 2.779 267 HD2 HIS 33 HD2 HIS 33 -0.596 -8.309 1.566 268 HE1 HIS 33 HE1 HIS 33 -2.763 -10.321 4.603 269 HE2 HIS 33 HE2 HIS 33 -0.585 -9.226 3.983 270 H LYS 34 H LYS 34 -1.329 -10.693 -1.457 271 HA LYS 34 HA LYS 34 0.864 -8.766 -1.657 272 HB2 LYS 34 HB2 LYS 34 1.346 -10.737 -0.356 273 HB3 LYS 34 HB3 LYS 34 0.802 -11.786 -1.651 274 HG2 LYS 34 HG2 LYS 34 2.674 -10.857 -3.049 275 HG3 LYS 34 HG3 LYS 34 3.273 -10.081 -1.581 276 HD2 LYS 34 HD2 LYS 34 3.538 -12.216 -0.503 277 HD3 LYS 34 HD3 LYS 34 2.778 -13.042 -1.864 278 HE2 LYS 34 HE2 LYS 34 4.608 -12.290 -3.320 279 HE3 LYS 34 HE3 LYS 34 5.378 -11.516 -1.937 280 HZ1 LYS 34 HZ1 LYS 34 6.025 -13.927 -2.711 281 HZ2 LYS 34 HZ2 LYS 34 4.723 -14.358 -1.711 282 HZ3 LYS 34 HZ3 LYS 34 6.032 -13.492 -1.071 283 H SER 35 H SER 35 -0.927 -11.097 -3.576 284 HA SER 35 HA SER 35 0.925 -11.352 -5.661 285 HB2 SER 35 HB2 SER 35 -0.954 -12.932 -5.117 286 HB3 SER 35 HB3 SER 35 -2.060 -11.783 -5.867 287 HG SER 35 HG SER 35 -0.751 -12.010 -7.796 288 H CYS 36 H CYS 36 -1.617 -9.000 -5.155 289 HA CYS 36 HA CYS 36 -1.898 -8.070 -7.780 290 HB2 CYS 36 HB2 CYS 36 -2.147 -6.467 -5.224 291 HB3 CYS 36 HB3 CYS 36 -2.863 -6.070 -6.782 292 HG CYS 36 HG CYS 36 -5.076 -7.285 -6.350 293 H MET 37 H MET 37 -0.039 -6.562 -5.144 294 HA MET 37 HA MET 37 1.338 -4.766 -6.849 295 HB2 MET 37 HB2 MET 37 0.940 -4.360 -4.438 296 HB3 MET 37 HB3 MET 37 2.056 -5.663 -4.050 297 HG2 MET 37 HG2 MET 37 3.855 -4.404 -5.174 298 HG3 MET 37 HG3 MET 37 2.721 -3.080 -5.444 299 HE1 MET 37 HE1 MET 37 1.586 -1.689 -3.473 300 HE2 MET 37 HE2 MET 37 1.902 -1.985 -1.763 301 HE3 MET 37 HE3 MET 37 1.029 -3.182 -2.718 302 H ARG 38 H ARG 38 1.969 -8.009 -5.769 303 HA ARG 38 HA ARG 38 4.759 -8.088 -6.188 304 HB2 ARG 38 HB2 ARG 38 3.059 -9.768 -5.045 305 HB3 ARG 38 HB3 ARG 38 3.088 -10.521 -6.628 306 HG2 ARG 38 HG2 ARG 38 5.586 -9.934 -5.065 307 HG3 ARG 38 HG3 ARG 38 4.690 -11.443 -4.911 308 HD2 ARG 38 HD2 ARG 38 5.081 -11.991 -7.204 309 HD3 ARG 38 HD3 ARG 38 5.748 -10.391 -7.529 310 HE ARG 38 HE ARG 38 7.462 -11.190 -5.714 311 HH11 ARG 38 HH11 ARG 38 6.076 -13.079 -8.322 312 HH12 ARG 38 HH12 ARG 38 7.465 -14.109 -8.486 313 HH21 ARG 38 HH21 ARG 38 9.289 -12.511 -5.926 314 HH22 ARG 38 HH22 ARG 38 9.297 -13.801 -7.095 315 H LYS 39 H LYS 39 2.020 -8.867 -8.276 316 HA LYS 39 HA LYS 39 3.381 -10.024 -10.397 317 HB2 LYS 39 HB2 LYS 39 1.006 -10.188 -10.159 318 HB3 LYS 39 HB3 LYS 39 0.820 -8.444 -10.256 319 HG2 LYS 39 HG2 LYS 39 1.619 -8.519 -12.576 320 HG3 LYS 39 HG3 LYS 39 1.691 -10.280 -12.463 321 HD2 LYS 39 HD2 LYS 39 -0.770 -8.591 -12.064 322 HD3 LYS 39 HD3 LYS 39 -0.377 -9.527 -13.498 323 HE2 LYS 39 HE2 LYS 39 -0.309 -11.559 -12.058 324 HE3 LYS 39 HE3 LYS 39 -0.922 -10.571 -10.737 325 HZ1 LYS 39 HZ1 LYS 39 -2.311 -10.998 -13.328 326 HZ2 LYS 39 HZ2 LYS 39 -2.901 -10.113 -12.009 327 HZ3 LYS 39 HZ3 LYS 39 -2.686 -11.787 -11.876 328 H PHE 40 H PHE 40 2.028 -6.733 -10.388 329 HA PHE 40 HA PHE 40 3.519 -5.983 -12.695 330 HB2 PHE 40 HB2 PHE 40 1.245 -5.079 -11.772 331 HB3 PHE 40 HB3 PHE 40 2.263 -3.978 -10.851 332 HD1 PHE 40 HD1 PHE 40 3.675 -2.323 -12.025 333 HD2 PHE 40 HD2 PHE 40 0.933 -4.823 -14.111 334 HE1 PHE 40 HE1 PHE 40 3.811 -0.838 -13.979 335 HE2 PHE 40 HE2 PHE 40 1.068 -3.340 -16.071 336 HZ PHE 40 HZ PHE 40 2.509 -1.343 -16.008 337 H LYS 41 H LYS 41 4.150 -5.912 -9.329 338 HA LYS 41 HA LYS 41 5.730 -5.012 -7.984 339 HB2 LYS 41 HB2 LYS 41 8.000 -5.433 -8.633 340 HB3 LYS 41 HB3 LYS 41 6.993 -6.745 -9.217 341 HG2 LYS 41 HG2 LYS 41 7.059 -5.797 -11.469 342 HG3 LYS 41 HG3 LYS 41 8.058 -4.467 -10.877 343 HD2 LYS 41 HD2 LYS 41 9.781 -6.084 -10.209 344 HD3 LYS 41 HD3 LYS 41 8.788 -7.393 -10.850 345 HE2 LYS 41 HE2 LYS 41 8.887 -6.321 -13.077 346 HE3 LYS 41 HE3 LYS 41 9.964 -5.095 -12.410 347 HZ1 LYS 41 HZ1 LYS 41 11.574 -6.796 -11.903 348 HZ2 LYS 41 HZ2 LYS 41 11.165 -6.882 -13.546 349 HZ3 LYS 41 HZ3 LYS 41 10.527 -8.010 -12.454 350 H GLU 42 H GLU 42 4.254 -3.069 -9.283 351 HA GLU 42 HA GLU 42 5.767 -1.109 -10.610 352 HB2 GLU 42 HB2 GLU 42 3.763 0.353 -10.032 353 HB3 GLU 42 HB3 GLU 42 3.453 -1.099 -10.971 354 HG2 GLU 42 HG2 GLU 42 2.904 -2.218 -8.752 355 HG3 GLU 42 HG3 GLU 42 2.861 -0.586 -8.083 356 H TYR 43 H TYR 43 6.378 0.978 -9.935 357 HA TYR 43 HA TYR 43 6.625 1.570 -7.119 358 HB2 TYR 43 HB2 TYR 43 9.149 1.791 -7.301 359 HB3 TYR 43 HB3 TYR 43 8.530 0.144 -7.253 360 HD1 TYR 43 HD2 TYR 43 10.125 2.700 -9.355 361 HD2 TYR 43 HD1 TYR 43 8.706 -1.305 -9.179 362 HE1 TYR 43 HE2 TYR 43 11.329 2.183 -11.438 363 HE2 TYR 43 HE1 TYR 43 9.902 -1.832 -11.256 364 HH TYR 43 HH TYR 43 10.749 -0.685 -13.215 365 H CYS 44 H CYS 44 6.796 3.726 -6.769 366 HA CYS 44 HA CYS 44 7.058 5.456 -9.116 367 HB2 CYS 44 HB2 CYS 44 5.098 5.825 -7.645 368 HB3 CYS 44 HB3 CYS 44 6.181 6.133 -6.293 369 HG CYS 44 HG CYS 44 7.069 8.537 -7.086 370 H GLU 45 H GLU 45 9.372 4.542 -8.891 371 HA GLU 45 HA GLU 45 11.582 4.941 -8.594 372 HB2 GLU 45 HB2 GLU 45 10.678 7.547 -7.366 373 HB3 GLU 45 HB3 GLU 45 12.340 7.143 -7.771 374 HG2 GLU 45 HG2 GLU 45 11.566 6.864 -10.151 375 HG3 GLU 45 HG3 GLU 45 10.030 7.560 -9.637 376 H GLY 46 H GLY 46 10.220 6.494 -5.694 377 HA2 GLY 46 HA2 GLY 46 11.307 4.295 -4.081 378 HA3 GLY 46 HA3 GLY 46 11.777 5.948 -3.693 379 H LEU 47 H LEU 47 10.755 6.398 -1.840 380 HA LEU 47 HA LEU 47 8.090 7.202 -2.026 381 HB2 LEU 47 HB2 LEU 47 7.764 4.694 -1.762 382 HB3 LEU 47 HB3 LEU 47 8.370 4.887 -0.127 383 HG LEU 47 HG LEU 47 5.834 4.865 -0.490 384 HD11 LEU 47 HD11 LEU 47 7.044 7.126 1.065 385 HD12 LEU 47 HD12 LEU 47 6.849 5.468 1.633 386 HD13 LEU 47 HD13 LEU 47 5.430 6.457 1.296 387 HD21 LEU 47 HD21 LEU 47 4.817 7.020 -1.012 388 HD22 LEU 47 HD22 LEU 47 5.740 6.377 -2.370 389 HD23 LEU 47 HD23 LEU 47 6.416 7.668 -1.378 390 H GLN 48 H GLN 48 8.260 8.957 -1.022 391 HA GLN 48 HA GLN 48 9.331 9.027 1.709 392 HB2 GLN 48 HB2 GLN 48 9.898 10.858 -0.577 393 HB3 GLN 48 HB3 GLN 48 9.716 11.570 1.007 394 HG2 GLN 48 HG2 GLN 48 12.004 11.259 0.770 395 HG3 GLN 48 HG3 GLN 48 11.489 9.916 1.782 396 HE21 GLN 48 HE21 GLN 48 11.617 7.832 0.982 397 HE22 GLN 48 HE22 GLN 48 12.446 7.443 -0.484 398 H PHE 49 H PHE 49 8.483 11.410 2.583 399 HA PHE 49 HA PHE 49 5.682 11.001 2.786 400 HB2 PHE 49 HB2 PHE 49 5.606 12.902 4.218 401 HB3 PHE 49 HB3 PHE 49 7.105 12.059 4.563 402 HD1 PHE 49 HD2 PHE 49 9.256 13.050 3.921 403 HD2 PHE 49 HD1 PHE 49 5.579 15.108 3.317 404 HE1 PHE 49 HE2 PHE 49 10.485 15.160 3.628 405 HE2 PHE 49 HE1 PHE 49 6.803 17.221 3.027 406 HZ PHE 49 HZ PHE 49 9.258 17.247 3.181 407 H HIS 50 H HIS 50 7.651 13.135 0.857 408 HA HIS 50 HA HIS 50 5.485 14.709 -0.131 409 HB2 HIS 50 HB2 HIS 50 7.042 15.806 -1.499 410 HB3 HIS 50 HB3 HIS 50 7.973 15.346 -0.082 411 HD1 HIS 50 HD1 HIS 50 8.213 15.412 -3.613 412 HD2 HIS 50 HD2 HIS 50 9.406 12.714 -0.676 413 HE1 HIS 50 HE1 HIS 50 10.006 13.995 -4.675 414 HE2 HIS 50 HE2 HIS 50 10.620 12.286 -2.923 415 H GLU 51 H GLU 51 6.299 11.535 -0.724 416 HA GLU 51 HA GLU 51 5.189 11.612 -3.450 417 HB2 GLU 51 HB2 GLU 51 7.047 9.650 -2.112 418 HB3 GLU 51 HB3 GLU 51 6.229 9.291 -3.627 419 HG2 GLU 51 HG2 GLU 51 7.363 10.995 -4.772 420 HG3 GLU 51 HG3 GLU 51 7.921 11.741 -3.278 421 H LEU 52 H LEU 52 4.141 11.229 -0.455 422 HA LEU 52 HA LEU 52 2.130 9.246 -1.270 423 HB2 LEU 52 HB2 LEU 52 3.942 8.663 0.613 424 HB3 LEU 52 HB3 LEU 52 2.802 9.534 1.616 425 HG LEU 52 HG LEU 52 2.417 7.130 1.737 426 HD11 LEU 52 HD11 LEU 52 0.204 8.513 0.234 427 HD12 LEU 52 HD12 LEU 52 0.500 8.633 1.968 428 HD13 LEU 52 HD13 LEU 52 0.045 7.085 1.257 429 HD21 LEU 52 HD21 LEU 52 1.923 7.301 -1.232 430 HD22 LEU 52 HD22 LEU 52 1.627 5.887 -0.221 431 HD23 LEU 52 HD23 LEU 52 3.272 6.487 -0.438 432 H THR 53 H THR 53 0.735 10.899 -1.902 433 HA THR 53 HA THR 53 -0.295 12.606 0.263 434 HB THR 53 HB THR 53 -0.579 14.423 -1.451 435 HG1 THR 53 HG1 THR 53 1.393 13.485 -3.093 436 HG21 THR 53 HG21 THR 53 1.281 14.474 0.154 437 HG22 THR 53 HG22 THR 53 1.760 15.155 -1.401 438 HG23 THR 53 HG23 THR 53 2.266 13.524 -0.958 439 H GLU 54 H GLU 54 -2.387 13.756 -0.613 440 HA GLU 54 HA GLU 54 -4.358 11.902 -1.309 441 HB2 GLU 54 HB2 GLU 54 -5.041 13.951 -0.311 442 HB3 GLU 54 HB3 GLU 54 -4.210 14.910 -1.524 443 HG2 GLU 54 HG2 GLU 54 -6.476 13.142 -2.334 444 HG3 GLU 54 HG3 GLU 54 -6.802 14.688 -1.554 445 H ASP 55 H ASP 55 -2.505 14.161 -3.292 446 HA ASP 55 HA ASP 55 -3.768 13.648 -5.736 447 HB2 ASP 55 HB2 ASP 55 -2.256 15.564 -5.281 448 HB3 ASP 55 HB3 ASP 55 -0.891 14.454 -5.281 449 H PHE 56 H PHE 56 -1.076 12.053 -4.123 450 HA PHE 56 HA PHE 56 -0.352 10.315 -6.213 451 HB2 PHE 56 HB2 PHE 56 1.048 10.655 -4.223 452 HB3 PHE 56 HB3 PHE 56 -0.173 9.877 -3.222 453 HD1 PHE 56 HD2 PHE 56 2.213 9.294 -5.990 454 HD2 PHE 56 HD1 PHE 56 -0.224 7.542 -2.974 455 HE1 PHE 56 HE2 PHE 56 3.281 7.113 -6.396 456 HE2 PHE 56 HE1 PHE 56 0.840 5.361 -3.375 457 HZ PHE 56 HZ PHE 56 2.592 5.143 -5.090 458 H LEU 57 H LEU 57 -2.530 9.807 -3.435 459 HA LEU 57 HA LEU 57 -3.409 7.242 -4.148 460 HB2 LEU 57 HB2 LEU 57 -4.470 9.440 -2.431 461 HB3 LEU 57 HB3 LEU 57 -5.509 8.075 -2.788 462 HG LEU 57 HG LEU 57 -4.327 7.889 -0.621 463 HD11 LEU 57 HD11 LEU 57 -5.114 5.899 -1.779 464 HD12 LEU 57 HD12 LEU 57 -3.614 5.573 -0.908 465 HD13 LEU 57 HD13 LEU 57 -3.587 5.796 -2.657 466 HD21 LEU 57 HD21 LEU 57 -1.843 7.600 -2.302 467 HD22 LEU 57 HD22 LEU 57 -1.957 7.376 -0.555 468 HD23 LEU 57 HD23 LEU 57 -2.222 8.970 -1.259 469 H ARG 58 H ARG 58 -4.636 10.436 -4.947 470 HA ARG 58 HA ARG 58 -6.972 9.716 -6.302 471 HB2 ARG 58 HB2 ARG 58 -6.503 11.990 -5.625 472 HB3 ARG 58 HB3 ARG 58 -5.096 12.054 -6.672 473 HG2 ARG 58 HG2 ARG 58 -6.543 11.903 -8.633 474 HG3 ARG 58 HG3 ARG 58 -7.959 11.845 -7.576 475 HD2 ARG 58 HD2 ARG 58 -7.466 14.030 -6.709 476 HD3 ARG 58 HD3 ARG 58 -5.947 14.083 -7.599 477 HE ARG 58 HE ARG 58 -7.885 13.741 -9.511 478 HH11 ARG 58 HH11 ARG 58 -7.168 16.074 -7.015 479 HH12 ARG 58 HH12 ARG 58 -7.897 17.408 -7.856 480 HH21 ARG 58 HH21 ARG 58 -8.845 15.504 -10.651 481 HH22 ARG 58 HH22 ARG 58 -8.808 17.093 -9.943 482 H ASP 59 H ASP 59 -3.732 10.417 -7.627 483 HA ASP 59 HA ASP 59 -4.394 9.754 -10.298 484 HB2 ASP 59 HB2 ASP 59 -2.472 11.155 -9.794 485 HB3 ASP 59 HB3 ASP 59 -1.711 9.841 -8.902 486 H TYR 60 H TYR 60 -3.109 7.891 -7.619 487 HA TYR 60 HA TYR 60 -2.378 5.632 -9.179 488 HB2 TYR 60 HB2 TYR 60 -1.855 6.449 -6.616 489 HB3 TYR 60 HB3 TYR 60 -2.971 5.111 -6.355 490 HD1 TYR 60 HD2 TYR 60 0.185 6.021 -8.086 491 HD2 TYR 60 HD1 TYR 60 -2.209 2.895 -6.470 492 HE1 TYR 60 HE2 TYR 60 2.029 4.436 -8.438 493 HE2 TYR 60 HE1 TYR 60 -0.370 1.299 -6.821 494 HH TYR 60 HH TYR 60 1.609 1.083 -8.289 495 H LEU 61 H LEU 61 -5.312 6.608 -7.539 496 HA LEU 61 HA LEU 61 -6.693 4.150 -7.733 497 HB2 LEU 61 HB2 LEU 61 -7.581 5.896 -6.367 498 HB3 LEU 61 HB3 LEU 61 -7.657 7.008 -7.720 499 HG LEU 61 HG LEU 61 -9.367 5.466 -8.754 500 HD11 LEU 61 HD11 LEU 61 -9.363 4.262 -5.990 501 HD12 LEU 61 HD12 LEU 61 -8.871 3.458 -7.481 502 HD13 LEU 61 HD13 LEU 61 -10.552 3.941 -7.253 503 HD21 LEU 61 HD21 LEU 61 -11.198 6.331 -7.408 504 HD22 LEU 61 HD22 LEU 61 -9.961 7.566 -7.650 505 HD23 LEU 61 HD23 LEU 61 -10.073 6.721 -6.106 506 H ILE 62 H ILE 62 -6.583 6.975 -9.863 507 HA ILE 62 HA ILE 62 -8.097 5.934 -11.986 508 HB ILE 62 HB ILE 62 -5.759 7.850 -12.140 509 HG12 ILE 62 HG12 ILE 62 -7.495 8.669 -10.634 510 HG13 ILE 62 HG13 ILE 62 -7.488 9.615 -12.119 511 HG21 ILE 62 HG21 ILE 62 -6.785 8.604 -14.243 512 HG22 ILE 62 HG22 ILE 62 -7.975 7.312 -14.112 513 HG23 ILE 62 HG23 ILE 62 -6.268 6.920 -14.317 514 HD11 ILE 62 HD11 ILE 62 -9.416 8.343 -12.925 515 HD12 ILE 62 HD12 ILE 62 -9.750 9.149 -11.392 516 HD13 ILE 62 HD13 ILE 62 -9.423 7.417 -11.424 517 H TYR 63 H TYR 63 -4.594 5.934 -11.453 518 HA TYR 63 HA TYR 63 -3.760 4.470 -13.661 519 HB2 TYR 63 HB2 TYR 63 -2.244 5.650 -12.151 520 HB3 TYR 63 HB3 TYR 63 -2.640 4.542 -10.848 521 HD1 TYR 63 HD2 TYR 63 -1.075 4.692 -14.216 522 HD2 TYR 63 HD1 TYR 63 -1.379 2.611 -10.522 523 HE1 TYR 63 HE2 TYR 63 0.818 3.266 -14.870 524 HE2 TYR 63 HE1 TYR 63 0.514 1.183 -11.161 525 HH TYR 63 HH TYR 63 1.643 0.420 -13.173 526 H MET 64 H MET 64 -5.010 3.363 -10.571 527 HA MET 64 HA MET 64 -4.407 0.633 -10.788 528 HB2 MET 64 HB2 MET 64 -5.184 1.893 -8.743 529 HB3 MET 64 HB3 MET 64 -6.809 1.829 -9.410 530 HG2 MET 64 HG2 MET 64 -6.844 0.040 -8.007 531 HG3 MET 64 HG3 MET 64 -6.346 -0.736 -9.510 532 HE1 MET 64 HE1 MET 64 -3.374 0.491 -6.204 533 HE2 MET 64 HE2 MET 64 -5.109 0.804 -6.110 534 HE3 MET 64 HE3 MET 64 -4.128 1.628 -7.324 535 H LYS 65 H LYS 65 -7.318 2.442 -11.678 536 HA LYS 65 HA LYS 65 -8.674 0.047 -12.559 537 HB2 LYS 65 HB2 LYS 65 -9.734 2.068 -11.384 538 HB3 LYS 65 HB3 LYS 65 -9.602 2.897 -12.925 539 HG2 LYS 65 HG2 LYS 65 -11.043 0.279 -12.662 540 HG3 LYS 65 HG3 LYS 65 -11.833 1.818 -12.334 541 HD2 LYS 65 HD2 LYS 65 -11.407 2.572 -14.583 542 HD3 LYS 65 HD3 LYS 65 -10.467 1.116 -14.928 543 HE2 LYS 65 HE2 LYS 65 -12.506 -0.234 -14.521 544 HE3 LYS 65 HE3 LYS 65 -13.415 1.263 -14.304 545 HZ1 LYS 65 HZ1 LYS 65 -11.946 0.523 -16.779 546 HZ2 LYS 65 HZ2 LYS 65 -12.927 1.887 -16.559 547 HZ3 LYS 65 HZ3 LYS 65 -13.616 0.340 -16.553 548 H LYS 66 H LYS 66 -7.245 2.920 -13.993 549 HA LYS 66 HA LYS 66 -8.100 2.350 -16.655 550 HB2 LYS 66 HB2 LYS 66 -7.651 4.626 -15.848 551 HB3 LYS 66 HB3 LYS 66 -5.960 4.215 -15.613 552 HG2 LYS 66 HG2 LYS 66 -6.059 5.435 -17.611 553 HG3 LYS 66 HG3 LYS 66 -5.855 3.748 -18.087 554 HD2 LYS 66 HD2 LYS 66 -8.146 3.556 -18.685 555 HD3 LYS 66 HD3 LYS 66 -8.537 5.112 -17.944 556 HE2 LYS 66 HE2 LYS 66 -6.805 4.658 -20.374 557 HE3 LYS 66 HE3 LYS 66 -8.432 5.339 -20.356 558 HZ1 LYS 66 HZ1 LYS 66 -5.982 6.543 -19.176 559 HZ2 LYS 66 HZ2 LYS 66 -7.545 7.164 -18.957 560 HZ3 LYS 66 HZ3 LYS 66 -6.866 7.118 -20.507 561 H THR 67 H THR 67 -4.852 2.371 -15.163 562 HA THR 67 HA THR 67 -3.711 1.181 -17.517 563 HB THR 67 HB THR 67 -2.383 1.768 -14.871 564 HG1 THR 67 HG1 THR 67 -2.072 3.437 -17.112 565 HG21 THR 67 HG21 THR 67 -1.262 1.324 -17.643 566 HG22 THR 67 HG22 THR 67 -1.079 0.252 -16.253 567 HG23 THR 67 HG23 THR 67 -0.324 1.847 -16.245 568 H LEU 68 H LEU 68 -4.231 0.129 -14.139 569 HA LEU 68 HA LEU 68 -2.783 -2.315 -14.631 570 HB2 LEU 68 HB2 LEU 68 -3.070 -0.870 -12.425 571 HB3 LEU 68 HB3 LEU 68 -4.452 -1.920 -12.189 572 HG LEU 68 HG LEU 68 -1.596 -2.853 -12.513 573 HD11 LEU 68 HD11 LEU 68 -1.918 -1.659 -10.425 574 HD12 LEU 68 HD12 LEU 68 -1.739 -3.387 -10.125 575 HD13 LEU 68 HD13 LEU 68 -3.335 -2.644 -10.058 576 HD21 LEU 68 HD21 LEU 68 -3.206 -4.514 -13.301 577 HD22 LEU 68 HD22 LEU 68 -4.094 -4.385 -11.782 578 HD23 LEU 68 HD23 LEU 68 -2.453 -5.033 -11.792 579 H CYS 69 H CYS 69 -5.917 -2.178 -12.981 580 HA CYS 69 HA CYS 69 -7.382 -3.796 -14.774 581 HB2 CYS 69 HB2 CYS 69 -5.877 -5.267 -12.601 582 HB3 CYS 69 HB3 CYS 69 -7.342 -5.908 -13.326 583 HG CYS 69 HG CYS 69 -5.061 -5.074 -15.597 584 H ASN 70 H ASN 70 -6.681 -3.193 -11.368 585 HA ASN 70 HA ASN 70 -9.035 -4.292 -10.342 586 HB2 ASN 70 HB2 ASN 70 -7.332 -2.172 -9.035 587 HB3 ASN 70 HB3 ASN 70 -8.419 -3.297 -8.230 588 HD21 ASN 70 HD21 ASN 70 -5.371 -2.871 -9.760 589 HD22 ASN 70 HD22 ASN 70 -4.686 -4.392 -9.313 590 H ALA 71 H ALA 71 -10.959 -3.526 -9.803 591 HA ALA 71 HA ALA 71 -11.793 -0.924 -10.764 592 HB1 ALA 71 HB1 ALA 71 -14.027 -1.629 -9.995 593 HB2 ALA 71 HB2 ALA 71 -13.315 -3.093 -9.315 594 HB3 ALA 71 HB3 ALA 71 -13.282 -2.824 -11.057 595 H ASP 72 H ASP 72 -13.504 0.089 -9.001 596 HA ASP 72 HA ASP 72 -11.950 1.543 -7.255 597 HB2 ASP 72 HB2 ASP 72 -14.866 0.887 -6.796 598 HB3 ASP 72 HB3 ASP 72 -13.991 2.283 -6.186 599 H SER 73 H SER 73 -14.106 -1.135 -6.345 600 HA SER 73 HA SER 73 -13.501 -1.166 -3.637 601 HB2 SER 73 HB2 SER 73 -14.295 -3.536 -5.340 602 HB3 SER 73 HB3 SER 73 -14.516 -3.371 -3.598 603 HG SER 73 HG SER 73 -16.443 -2.804 -4.477 604 H THR 74 H THR 74 -12.005 -3.034 -6.280 605 HA THR 74 HA THR 74 -10.275 -4.498 -4.556 606 HB THR 74 HB THR 74 -9.663 -4.051 -7.458 607 HG1 THR 74 HG1 THR 74 -11.861 -5.485 -6.334 608 HG21 THR 74 HG21 THR 74 -9.584 -6.479 -5.656 609 HG22 THR 74 HG22 THR 74 -8.196 -5.493 -6.116 610 HG23 THR 74 HG23 THR 74 -9.058 -6.429 -7.340 611 H ALA 75 H ALA 75 -9.983 -1.531 -6.427 612 HA ALA 75 HA ALA 75 -7.235 -1.061 -6.151 613 HB1 ALA 75 HB1 ALA 75 -9.487 0.950 -6.231 614 HB2 ALA 75 HB2 ALA 75 -8.661 0.259 -7.628 615 HB3 ALA 75 HB3 ALA 75 -7.781 1.300 -6.509 616 H GLN 76 H GLN 76 -9.950 -0.394 -4.028 617 HA GLN 76 HA GLN 76 -8.688 1.129 -2.083 618 HB2 GLN 76 HB2 GLN 76 -11.000 -0.795 -2.016 619 HB3 GLN 76 HB3 GLN 76 -10.504 0.115 -0.606 620 HG2 GLN 76 HG2 GLN 76 -11.340 1.314 -3.230 621 HG3 GLN 76 HG3 GLN 76 -12.374 1.169 -1.811 622 HE21 GLN 76 HE21 GLN 76 -9.768 2.843 -3.301 623 HE22 GLN 76 HE22 GLN 76 -9.644 4.134 -2.157 624 H ARG 77 H ARG 77 -8.776 -2.345 -2.586 625 HA ARG 77 HA ARG 77 -7.612 -3.046 -0.081 626 HB2 ARG 77 HB2 ARG 77 -8.100 -4.495 -2.654 627 HB3 ARG 77 HB3 ARG 77 -7.027 -5.209 -1.461 628 HG2 ARG 77 HG2 ARG 77 -9.240 -6.110 -1.201 629 HG3 ARG 77 HG3 ARG 77 -8.847 -5.112 0.198 630 HD2 ARG 77 HD2 ARG 77 -10.136 -3.264 -0.781 631 HD3 ARG 77 HD3 ARG 77 -10.552 -4.295 -2.150 632 HE ARG 77 HE ARG 77 -11.369 -5.705 0.046 633 HH11 ARG 77 HH11 ARG 77 -12.067 -2.561 -1.323 634 HH12 ARG 77 HH12 ARG 77 -13.638 -2.439 -0.583 635 HH21 ARG 77 HH21 ARG 77 -13.430 -5.565 0.998 636 HH22 ARG 77 HH22 ARG 77 -14.419 -4.163 0.725 637 H ASN 78 H ASN 78 -6.284 -2.605 -3.359 638 HA ASN 78 HA ASN 78 -3.646 -3.343 -2.653 639 HB2 ASN 78 HB2 ASN 78 -4.690 -3.372 -4.959 640 HB3 ASN 78 HB3 ASN 78 -4.505 -1.622 -4.979 641 HD21 ASN 78 HD21 ASN 78 -3.127 -1.684 -6.716 642 HD22 ASN 78 HD22 ASN 78 -1.505 -2.234 -6.569 643 H LEU 79 H LEU 79 -5.466 -0.415 -2.403 644 HA LEU 79 HA LEU 79 -3.120 1.211 -1.901 645 HB2 LEU 79 HB2 LEU 79 -6.070 1.805 -1.674 646 HB3 LEU 79 HB3 LEU 79 -4.813 2.970 -1.320 647 HG LEU 79 HG LEU 79 -5.294 1.682 -4.008 648 HD11 LEU 79 HD11 LEU 79 -7.067 3.226 -3.441 649 HD12 LEU 79 HD12 LEU 79 -6.034 3.920 -4.691 650 HD13 LEU 79 HD13 LEU 79 -5.885 4.467 -3.020 651 HD21 LEU 79 HD21 LEU 79 -3.378 3.863 -3.192 652 HD22 LEU 79 HD22 LEU 79 -3.661 3.296 -4.838 653 HD23 LEU 79 HD23 LEU 79 -2.943 2.215 -3.645 654 H SER 80 H SER 80 -5.565 -0.516 -0.111 655 HA SER 80 HA SER 80 -5.156 0.650 2.412 656 HB2 SER 80 HB2 SER 80 -7.127 -0.733 1.871 657 HB3 SER 80 HB3 SER 80 -6.093 -2.156 1.762 658 HG SER 80 HG SER 80 -5.562 -1.097 4.084 659 H THR 81 H THR 81 -3.485 -1.949 0.729 660 HA THR 81 HA THR 81 -2.030 -2.987 2.893 661 HB THR 81 HB THR 81 -0.351 -3.678 1.132 662 HG1 THR 81 HG1 THR 81 -1.616 -3.312 -1.064 663 HG21 THR 81 HG21 THR 81 -3.242 -4.325 0.541 664 HG22 THR 81 HG22 THR 81 -2.255 -5.101 1.779 665 HG23 THR 81 HG23 THR 81 -1.840 -5.290 0.076 666 H ILE 82 H ILE 82 -1.173 -0.486 0.530 667 HA ILE 82 HA ILE 82 1.271 0.294 1.682 668 HB ILE 82 HB ILE 82 -0.660 2.040 0.137 669 HG12 ILE 82 HG12 ILE 82 1.607 0.330 -0.904 670 HG13 ILE 82 HG13 ILE 82 -0.098 -0.080 -1.037 671 HG21 ILE 82 HG21 ILE 82 2.321 2.258 0.533 672 HG22 ILE 82 HG22 ILE 82 1.095 3.299 1.257 673 HG23 ILE 82 HG23 ILE 82 1.338 3.307 -0.489 674 HD11 ILE 82 HD11 ILE 82 1.276 2.283 -2.295 675 HD12 ILE 82 HD12 ILE 82 -0.451 1.942 -2.391 676 HD13 ILE 82 HD13 ILE 82 0.710 0.829 -3.117 677 H LYS 83 H LYS 83 -2.053 1.331 2.222 678 HA LYS 83 HA LYS 83 -1.571 3.552 3.850 679 HB2 LYS 83 HB2 LYS 83 -3.784 2.809 2.837 680 HB3 LYS 83 HB3 LYS 83 -3.914 1.691 4.188 681 HG2 LYS 83 HG2 LYS 83 -3.445 3.911 5.569 682 HG3 LYS 83 HG3 LYS 83 -4.165 4.638 4.130 683 HD2 LYS 83 HD2 LYS 83 -6.045 2.970 4.407 684 HD3 LYS 83 HD3 LYS 83 -5.375 2.613 5.997 685 HE2 LYS 83 HE2 LYS 83 -6.403 5.266 5.006 686 HE3 LYS 83 HE3 LYS 83 -7.146 4.230 6.222 687 HZ1 LYS 83 HZ1 LYS 83 -4.788 5.970 6.440 688 HZ2 LYS 83 HZ2 LYS 83 -4.845 4.569 7.392 689 HZ3 LYS 83 HZ3 LYS 83 -6.068 5.731 7.530 690 H ILE 84 H ILE 84 -1.710 0.114 4.667 691 HA ILE 84 HA ILE 84 -1.830 0.405 7.458 692 HB ILE 84 HB ILE 84 -0.457 -1.786 5.882 693 HG12 ILE 84 HG12 ILE 84 -3.247 -1.687 7.051 694 HG13 ILE 84 HG13 ILE 84 -2.866 -1.465 5.347 695 HG21 ILE 84 HG21 ILE 84 -0.799 -3.147 7.915 696 HG22 ILE 84 HG22 ILE 84 -1.367 -1.706 8.758 697 HG23 ILE 84 HG23 ILE 84 0.297 -1.791 8.177 698 HD11 ILE 84 HD11 ILE 84 -3.663 -3.716 5.800 699 HD12 ILE 84 HD12 ILE 84 -2.351 -3.957 6.955 700 HD13 ILE 84 HD13 ILE 84 -1.991 -3.733 5.244 701 H TYR 85 H TYR 85 0.912 0.415 5.231 702 HA TYR 85 HA TYR 85 2.891 0.564 7.289 703 HB2 TYR 85 HB2 TYR 85 3.300 -0.275 4.953 704 HB3 TYR 85 HB3 TYR 85 3.170 1.389 4.393 705 HD1 TYR 85 HD2 TYR 85 5.085 -0.767 6.740 706 HD2 TYR 85 HD1 TYR 85 5.076 2.756 4.354 707 HE1 TYR 85 HE2 TYR 85 7.474 -0.448 7.212 708 HE2 TYR 85 HE1 TYR 85 7.469 3.082 4.823 709 HH TYR 85 HH TYR 85 9.118 2.442 6.501 710 H VAL 86 H VAL 86 1.320 2.903 5.151 711 HA VAL 86 HA VAL 86 2.688 5.209 6.008 712 HB VAL 86 HB VAL 86 -0.113 4.923 4.907 713 HG11 VAL 86 HG11 VAL 86 0.162 7.045 6.096 714 HG12 VAL 86 HG12 VAL 86 0.004 7.288 4.357 715 HG13 VAL 86 HG13 VAL 86 1.589 7.404 5.123 716 HG21 VAL 86 HG21 VAL 86 2.513 5.566 3.566 717 HG22 VAL 86 HG22 VAL 86 0.934 5.618 2.782 718 HG23 VAL 86 HG23 VAL 86 1.570 4.088 3.383 719 H SER 87 H SER 87 -0.458 3.908 6.996 720 HA SER 87 HA SER 87 -1.092 5.786 8.946 721 HB2 SER 87 HB2 SER 87 -1.951 3.042 8.235 722 HB3 SER 87 HB3 SER 87 -2.336 3.567 9.878 723 HG SER 87 HG SER 87 -2.982 5.584 8.337 724 H ALA 88 H ALA 88 0.895 2.865 9.171 725 HA ALA 88 HA ALA 88 1.220 3.012 12.009 726 HB1 ALA 88 HB1 ALA 88 1.527 0.916 10.796 727 HB2 ALA 88 HB2 ALA 88 2.980 1.345 11.696 728 HB3 ALA 88 HB3 ALA 88 2.916 1.597 9.951 729 H ALA 89 H ALA 89 2.930 4.306 9.245 730 HA ALA 89 HA ALA 89 5.254 5.160 10.625 731 HB1 ALA 89 HB1 ALA 89 5.703 6.513 8.651 732 HB2 ALA 89 HB2 ALA 89 4.061 6.227 8.074 733 HB3 ALA 89 HB3 ALA 89 5.197 4.885 8.197 734 H ILE 90 H ILE 90 2.081 6.502 10.271 735 HA ILE 90 HA ILE 90 2.769 9.131 11.099 736 HB ILE 90 HB ILE 90 0.099 7.742 11.368 737 HG12 ILE 90 HG12 ILE 90 1.054 9.534 9.131 738 HG13 ILE 90 HG13 ILE 90 1.065 7.775 9.044 739 HG21 ILE 90 HG21 ILE 90 0.255 9.757 12.720 740 HG22 ILE 90 HG22 ILE 90 -0.816 10.025 11.344 741 HG23 ILE 90 HG23 ILE 90 0.825 10.668 11.322 742 HD11 ILE 90 HD11 ILE 90 -1.343 7.732 9.297 743 HD12 ILE 90 HD12 ILE 90 -0.871 8.737 7.926 744 HD13 ILE 90 HD13 ILE 90 -1.370 9.488 9.442 745 H LYS 91 H LYS 91 1.696 6.215 12.748 746 HA LYS 91 HA LYS 91 1.553 7.314 15.353 747 HB2 LYS 91 HB2 LYS 91 0.717 5.011 14.354 748 HB3 LYS 91 HB3 LYS 91 2.296 4.446 14.872 749 HG2 LYS 91 HG2 LYS 91 0.308 5.784 16.693 750 HG3 LYS 91 HG3 LYS 91 0.446 4.037 16.490 751 HD2 LYS 91 HD2 LYS 91 2.685 4.057 17.360 752 HD3 LYS 91 HD3 LYS 91 2.709 5.821 17.381 753 HE2 LYS 91 HE2 LYS 91 0.858 5.782 19.022 754 HE3 LYS 91 HE3 LYS 91 0.962 4.023 19.053 755 HZ1 LYS 91 HZ1 LYS 91 3.107 4.114 19.995 756 HZ2 LYS 91 HZ2 LYS 91 2.179 5.231 20.869 757 HZ3 LYS 91 HZ3 LYS 91 3.266 5.774 19.689 758 H LYS 92 H LYS 92 4.101 5.826 13.454 759 HA LYS 92 HA LYS 92 6.056 5.706 15.498 760 HB2 LYS 92 HB2 LYS 92 6.013 4.498 13.226 761 HB3 LYS 92 HB3 LYS 92 6.657 5.991 12.558 762 HG2 LYS 92 HG2 LYS 92 8.492 4.545 12.960 763 HG3 LYS 92 HG3 LYS 92 8.544 5.810 14.191 764 HD2 LYS 92 HD2 LYS 92 7.371 4.261 15.745 765 HD3 LYS 92 HD3 LYS 92 7.511 2.997 14.522 766 HE2 LYS 92 HE2 LYS 92 9.280 2.753 16.142 767 HE3 LYS 92 HE3 LYS 92 9.962 3.245 14.593 768 HZ1 LYS 92 HZ1 LYS 92 10.797 4.415 16.673 769 HZ2 LYS 92 HZ2 LYS 92 9.305 5.221 16.686 770 HZ3 LYS 92 HZ3 LYS 92 10.352 5.393 15.360 771 H GLY 93 H GLY 93 5.055 8.210 13.263 772 HA2 GLY 93 HA2 GLY 93 5.402 10.519 13.818 773 HA3 GLY 93 HA3 GLY 93 6.895 10.065 14.623 774 H TYR 94 H TYR 94 6.112 8.710 11.541 775 HA TYR 94 HA TYR 94 8.428 10.029 10.365 776 HB2 TYR 94 HB2 TYR 94 8.214 7.609 10.100 777 HB3 TYR 94 HB3 TYR 94 6.635 7.810 9.353 778 HD1 TYR 94 HD2 TYR 94 10.158 8.975 8.852 779 HD2 TYR 94 HD1 TYR 94 6.526 7.667 7.066 780 HE1 TYR 94 HE2 TYR 94 11.227 9.052 6.638 781 HE2 TYR 94 HE1 TYR 94 7.582 7.739 4.848 782 HH TYR 94 HH TYR 94 9.403 8.666 3.707 783 H MET 95 H MET 95 4.961 9.605 9.714 784 HA MET 95 HA MET 95 5.084 11.898 7.899 785 HB2 MET 95 HB2 MET 95 3.178 9.575 8.066 786 HB3 MET 95 HB3 MET 95 2.845 11.012 7.120 787 HG2 MET 95 HG2 MET 95 4.903 10.625 5.836 788 HG3 MET 95 HG3 MET 95 5.171 9.148 6.756 789 HE1 MET 95 HE1 MET 95 2.911 10.987 4.146 790 HE2 MET 95 HE2 MET 95 1.742 10.601 5.408 791 HE3 MET 95 HE3 MET 95 1.649 9.794 3.843 792 H GLU 96 H GLU 96 3.514 13.513 8.054 793 HA GLU 96 HA GLU 96 2.843 14.153 10.764 794 HB2 GLU 96 HB2 GLU 96 2.286 15.591 8.171 795 HB3 GLU 96 HB3 GLU 96 1.943 16.244 9.763 796 HG2 GLU 96 HG2 GLU 96 4.308 16.194 10.315 797 HG3 GLU 96 HG3 GLU 96 4.670 15.486 8.740 798 H ASN 97 H ASN 97 1.089 13.086 7.926 799 HA ASN 97 HA ASN 97 -1.287 12.634 9.501 800 HB2 ASN 97 HB2 ASN 97 -2.756 13.993 8.038 801 HB3 ASN 97 HB3 ASN 97 -1.628 14.970 8.967 802 HD21 ASN 97 HD21 ASN 97 -2.502 13.822 5.800 803 HD22 ASN 97 HD22 ASN 97 -1.488 14.909 4.908 804 H ASP 98 H ASP 98 -2.896 11.433 8.418 805 HA ASP 98 HA ASP 98 -1.978 9.579 6.467 806 HB2 ASP 98 HB2 ASP 98 -4.159 9.760 8.211 807 HB3 ASP 98 HB3 ASP 98 -4.876 9.812 6.606 808 HA PRO 99 HA PRO 99 -3.031 11.787 2.693 809 HB2 PRO 99 HB2 PRO 99 -3.453 9.587 1.116 810 HB3 PRO 99 HB3 PRO 99 -1.849 10.229 1.484 811 HG2 PRO 99 HG2 PRO 99 -3.308 7.938 2.751 812 HG3 PRO 99 HG3 PRO 99 -1.604 8.055 2.272 813 HD2 PRO 99 HD2 PRO 99 -2.369 8.357 4.831 814 HD3 PRO 99 HD3 PRO 99 -1.032 9.303 4.142 815 H PHE 100 H PHE 100 -4.867 9.214 4.147 816 HA PHE 100 HA PHE 100 -7.272 9.407 2.726 817 HB2 PHE 100 HB2 PHE 100 -6.698 7.555 4.237 818 HB3 PHE 100 HB3 PHE 100 -6.793 8.642 5.615 819 HD1 PHE 100 HD1 PHE 100 -8.776 7.033 2.941 820 HD2 PHE 100 HD2 PHE 100 -8.850 9.102 6.662 821 HE1 PHE 100 HE1 PHE 100 -11.163 6.489 3.195 822 HE2 PHE 100 HE2 PHE 100 -11.237 8.561 6.920 823 HZ PHE 100 HZ PHE 100 -12.395 7.255 5.184 824 H LYS 101 H LYS 101 -5.919 11.378 5.261 825 HA LYS 101 HA LYS 101 -8.333 12.657 6.048 826 HB2 LYS 101 HB2 LYS 101 -5.503 12.766 6.709 827 HB3 LYS 101 HB3 LYS 101 -6.233 14.358 6.683 828 HG2 LYS 101 HG2 LYS 101 -6.322 13.470 8.909 829 HG3 LYS 101 HG3 LYS 101 -7.958 13.562 8.256 830 HD2 LYS 101 HD2 LYS 101 -7.843 11.161 7.704 831 HD3 LYS 101 HD3 LYS 101 -6.232 11.093 8.423 832 HE2 LYS 101 HE2 LYS 101 -7.873 10.294 10.015 833 HE3 LYS 101 HE3 LYS 101 -7.183 11.817 10.574 834 HZ1 LYS 101 HZ1 LYS 101 -9.145 12.967 9.732 835 HZ2 LYS 101 HZ2 LYS 101 -9.574 11.788 10.874 836 HZ3 LYS 101 HZ3 LYS 101 -9.807 11.491 9.220 837 H ASP 102 H ASP 102 -5.676 13.495 3.873 838 HA ASP 102 HA ASP 102 -6.850 16.060 3.224 839 HB2 ASP 102 HB2 ASP 102 -4.390 15.747 3.433 840 HB3 ASP 102 HB3 ASP 102 -4.429 14.689 2.029 841 H PHE 103 H PHE 103 -7.213 12.913 2.199 842 HA PHE 103 HA PHE 103 -7.584 13.225 -0.593 843 HB2 PHE 103 HB2 PHE 103 -7.166 11.069 0.680 844 HB3 PHE 103 HB3 PHE 103 -8.852 11.128 1.176 845 HD1 PHE 103 HD2 PHE 103 -6.552 10.609 -1.617 846 HD2 PHE 103 HD1 PHE 103 -10.623 10.628 -0.386 847 HE1 PHE 103 HE2 PHE 103 -7.178 9.425 -3.681 848 HE2 PHE 103 HE1 PHE 103 -11.257 9.442 -2.445 849 HZ PHE 103 HZ PHE 103 -9.535 8.843 -4.097 850 H GLY 104 H GLY 104 -9.508 14.058 2.109 851 HA2 GLY 104 HA2 GLY 104 -11.732 14.693 0.302 852 HA3 GLY 104 HA3 GLY 104 -12.055 13.809 1.787 853 H LEU 105 H LEU 105 -13.047 15.138 3.120 854 HA LEU 105 HA LEU 105 -11.798 17.641 3.875 855 HB2 LEU 105 HB2 LEU 105 -13.188 18.189 1.879 856 HB3 LEU 105 HB3 LEU 105 -14.598 17.593 2.723 857 HG LEU 105 HG LEU 105 -14.278 20.122 2.602 858 HD11 LEU 105 HD11 LEU 105 -14.639 18.850 5.308 859 HD12 LEU 105 HD12 LEU 105 -15.894 19.092 4.093 860 HD13 LEU 105 HD13 LEU 105 -15.132 20.483 4.861 861 HD21 LEU 105 HD21 LEU 105 -11.906 20.204 3.124 862 HD22 LEU 105 HD22 LEU 105 -12.218 19.508 4.714 863 HD23 LEU 105 HD23 LEU 105 -12.837 21.113 4.318 864 H GLU 106 H GLU 106 -11.738 17.373 6.017 865 HA GLU 106 HA GLU 106 -14.023 16.200 7.396 866 HB2 GLU 106 HB2 GLU 106 -11.338 17.152 8.398 867 HB3 GLU 106 HB3 GLU 106 -12.613 16.562 9.452 868 HG2 GLU 106 HG2 GLU 106 -12.543 14.416 8.134 869 HG3 GLU 106 HG3 GLU 106 -11.074 15.034 7.378 870 H HIS 107 H HIS 107 -12.007 18.977 8.219 871 HA HIS 107 HA HIS 107 -14.257 20.794 8.227 872 HB2 HIS 107 HB2 HIS 107 -14.397 19.640 10.439 873 HB3 HIS 107 HB3 HIS 107 -12.758 20.167 10.791 874 HD1 HIS 107 HD1 HIS 107 -16.282 21.303 10.769 875 HD2 HIS 107 HD2 HIS 107 -12.509 22.939 11.380 876 HE1 HIS 107 HE1 HIS 107 -16.680 23.549 11.830 877 HE2 HIS 107 HE2 HIS 107 -14.382 24.401 12.410 878 H HIS 108 H HIS 108 -13.475 22.688 7.477 879 HA HIS 108 HA HIS 108 -10.674 23.138 7.169 880 HB2 HIS 108 HB2 HIS 108 -12.503 24.081 5.691 881 HB3 HIS 108 HB3 HIS 108 -12.877 25.203 6.993 882 HD1 HIS 108 HD1 HIS 108 -10.284 24.446 4.397 883 HD2 HIS 108 HD2 HIS 108 -11.110 27.343 7.269 884 HE1 HIS 108 HE1 HIS 108 -8.719 26.356 3.908 885 HE2 HIS 108 HE2 HIS 108 -9.123 28.024 5.753 886 H HIS 109 H HIS 109 -9.268 24.019 8.554 887 HA HIS 109 HA HIS 109 -9.850 24.375 11.252 888 HB2 HIS 109 HB2 HIS 109 -7.554 25.472 9.618 889 HB3 HIS 109 HB3 HIS 109 -7.650 25.617 11.368 890 HD1 HIS 109 HD1 HIS 109 -7.581 23.310 12.720 891 HD2 HIS 109 HD2 HIS 109 -6.526 23.103 8.703 892 HE1 HIS 109 HE1 HIS 109 -6.349 21.138 12.452 893 HE2 HIS 109 HE2 HIS 109 -5.880 20.945 9.985 894 H HIS 110 H HIS 110 -10.656 25.999 12.447 895 HA HIS 110 HA HIS 110 -11.732 28.272 11.080 896 HB2 HIS 110 HB2 HIS 110 -12.984 27.287 12.915 897 HB3 HIS 110 HB3 HIS 110 -11.663 27.614 14.031 898 HD1 HIS 110 HD1 HIS 110 -13.512 29.869 11.567 899 HD2 HIS 110 HD2 HIS 110 -12.454 29.673 15.589 900 HE1 HIS 110 HE1 HIS 110 -14.328 32.019 12.592 901 HE2 HIS 110 HE2 HIS 110 -13.635 31.908 15.015 902 H HIS 111 H HIS 111 -9.949 28.495 14.136 903 HA HIS 111 HA HIS 111 -7.712 29.898 13.356 904 HB2 HIS 111 HB2 HIS 111 -9.507 31.478 12.399 905 HB3 HIS 111 HB3 HIS 111 -9.866 31.888 14.071 906 HD1 HIS 111 HD1 HIS 111 -8.466 33.670 15.106 907 HD2 HIS 111 HD2 HIS 111 -6.782 32.144 11.623 908 HE1 HIS 111 HE1 HIS 111 -6.483 35.138 14.607 909 HE2 HIS 111 HE2 HIS 111 -5.577 34.289 12.409 910 H HIS 112 H HIS 112 -6.518 30.595 15.145 911 HA HIS 112 HA HIS 112 -7.587 29.779 17.728 912 HB2 HIS 112 HB2 HIS 112 -5.248 29.209 16.919 913 HB3 HIS 112 HB3 HIS 112 -4.844 30.909 17.130 914 HD1 HIS 112 HD1 HIS 112 -5.261 31.800 19.724 915 HD2 HIS 112 HD2 HIS 112 -4.859 27.703 19.125 916 HE1 HIS 112 HE1 HIS 112 -4.666 30.838 21.970 917 HE2 HIS 112 HE2 HIS 112 -4.576 28.343 21.614 Start of MODEL 18 1 H1 MET 1 H1 MET 1 15.001 3.162 16.347 2 H2 MET 1 H2 MET 1 15.295 4.623 15.533 3 H3 MET 1 H3 MET 1 16.594 3.700 16.118 4 HA MET 1 HA MET 1 14.695 2.823 14.031 5 HB2 MET 1 HB2 MET 1 16.551 3.143 12.452 6 HB3 MET 1 HB3 MET 1 16.087 4.657 13.215 7 HG2 MET 1 HG2 MET 1 17.984 4.428 14.765 8 HG3 MET 1 HG3 MET 1 18.466 2.958 13.922 9 HE1 MET 1 HE1 MET 1 21.193 5.579 12.872 10 HE2 MET 1 HE2 MET 1 20.888 4.022 13.641 11 HE3 MET 1 HE3 MET 1 20.365 5.510 14.427 12 H ASN 2 H ASN 2 15.328 0.859 13.000 13 HA ASN 2 HA ASN 2 17.230 -0.776 14.537 14 HB2 ASN 2 HB2 ASN 2 14.459 -1.637 13.669 15 HB3 ASN 2 HB3 ASN 2 15.678 -2.710 14.344 16 HD21 ASN 2 HD21 ASN 2 16.116 -2.646 16.531 17 HD22 ASN 2 HD22 ASN 2 15.123 -1.783 17.656 18 H ASN 3 H ASN 3 15.079 -1.013 11.715 19 HA ASN 3 HA ASN 3 17.193 -2.357 10.223 20 HB2 ASN 3 HB2 ASN 3 14.286 -1.810 9.575 21 HB3 ASN 3 HB3 ASN 3 15.401 -2.612 8.474 22 HD21 ASN 3 HD21 ASN 3 16.042 -4.700 8.874 23 HD22 ASN 3 HD22 ASN 3 15.288 -5.696 10.078 24 HA PRO 4 HA PRO 4 18.246 1.353 8.012 25 HB2 PRO 4 HB2 PRO 4 19.338 -0.278 5.875 26 HB3 PRO 4 HB3 PRO 4 20.198 0.679 7.082 27 HG2 PRO 4 HG2 PRO 4 20.234 -2.048 7.024 28 HG3 PRO 4 HG3 PRO 4 20.441 -1.094 8.504 29 HD2 PRO 4 HD2 PRO 4 18.004 -2.511 7.484 30 HD3 PRO 4 HD3 PRO 4 18.625 -2.386 9.144 31 H SER 5 H SER 5 17.893 2.367 5.899 32 HA SER 5 HA SER 5 15.326 1.739 4.817 33 HB2 SER 5 HB2 SER 5 17.345 3.695 3.699 34 HB3 SER 5 HB3 SER 5 15.591 3.726 3.507 35 HG SER 5 HG SER 5 15.999 5.166 5.110 36 H ASP 6 H ASP 6 15.830 -0.449 4.147 37 HA ASP 6 HA ASP 6 17.514 -0.689 1.764 38 HB2 ASP 6 HB2 ASP 6 17.622 -2.248 3.842 39 HB3 ASP 6 HB3 ASP 6 16.183 -2.992 3.159 40 H PHE 7 H PHE 7 14.512 0.128 2.328 41 HA PHE 7 HA PHE 7 13.149 -1.619 0.464 42 HB2 PHE 7 HB2 PHE 7 11.891 0.833 1.631 43 HB3 PHE 7 HB3 PHE 7 11.185 -0.725 1.272 44 HD1 PHE 7 HD2 PHE 7 11.808 -2.712 2.740 45 HD2 PHE 7 HD1 PHE 7 12.590 1.337 3.806 46 HE1 PHE 7 HE2 PHE 7 12.048 -3.376 5.094 47 HE2 PHE 7 HE1 PHE 7 12.835 0.675 6.161 48 HZ PHE 7 HZ PHE 7 12.564 -1.687 6.808 49 H LYS 8 H LYS 8 13.108 -1.193 -1.645 50 HA LYS 8 HA LYS 8 14.185 1.256 -2.667 51 HB2 LYS 8 HB2 LYS 8 12.858 -1.024 -4.128 52 HB3 LYS 8 HB3 LYS 8 13.890 0.209 -4.832 53 HG2 LYS 8 HG2 LYS 8 15.791 -0.618 -3.604 54 HG3 LYS 8 HG3 LYS 8 14.773 -1.783 -2.759 55 HD2 LYS 8 HD2 LYS 8 14.214 -2.774 -4.994 56 HD3 LYS 8 HD3 LYS 8 15.449 -1.724 -5.693 57 HE2 LYS 8 HE2 LYS 8 15.872 -3.815 -3.565 58 HE3 LYS 8 HE3 LYS 8 16.342 -3.938 -5.256 59 HZ1 LYS 8 HZ1 LYS 8 17.748 -1.911 -4.845 60 HZ2 LYS 8 HZ2 LYS 8 18.263 -3.333 -4.079 61 HZ3 LYS 8 HZ3 LYS 8 17.457 -2.137 -3.186 62 H SER 9 H SER 9 11.028 0.033 -2.011 63 HA SER 9 HA SER 9 9.783 2.448 -2.974 64 HB2 SER 9 HB2 SER 9 8.286 1.319 -4.566 65 HB3 SER 9 HB3 SER 9 9.974 1.144 -5.045 66 HG SER 9 HG SER 9 9.899 -0.939 -3.928 67 H PHE 10 H PHE 10 7.229 1.856 -3.036 68 HA PHE 10 HA PHE 10 6.458 1.635 -0.381 69 HB2 PHE 10 HB2 PHE 10 4.166 1.558 -1.223 70 HB3 PHE 10 HB3 PHE 10 5.112 2.743 -2.109 71 HD1 PHE 10 HD1 PHE 10 6.176 1.852 -4.358 72 HD2 PHE 10 HD2 PHE 10 2.837 0.091 -2.395 73 HE1 PHE 10 HE1 PHE 10 5.487 0.807 -6.475 74 HE2 PHE 10 HE2 PHE 10 2.147 -0.957 -4.510 75 HZ PHE 10 HZ PHE 10 3.472 -0.604 -6.553 76 H HIS 11 H HIS 11 6.619 -0.872 -2.887 77 HA HIS 11 HA HIS 11 5.099 -2.739 -1.325 78 HB2 HIS 11 HB2 HIS 11 5.524 -4.371 -3.039 79 HB3 HIS 11 HB3 HIS 11 5.154 -2.839 -3.811 80 HD1 HIS 11 HD1 HIS 11 8.196 -4.973 -2.964 81 HD2 HIS 11 HD2 HIS 11 6.970 -2.069 -5.670 82 HE1 HIS 11 HE1 HIS 11 10.052 -4.795 -4.644 83 HE2 HIS 11 HE2 HIS 11 9.407 -2.828 -6.068 84 H ASP 12 H ASP 12 8.432 -1.869 -1.484 85 HA ASP 12 HA ASP 12 9.431 -4.323 -0.395 86 HB2 ASP 12 HB2 ASP 12 10.698 -1.582 -0.546 87 HB3 ASP 12 HB3 ASP 12 11.533 -3.063 -0.100 88 H PHE 13 H PHE 13 8.604 -1.138 0.880 89 HA PHE 13 HA PHE 13 9.349 -1.615 3.549 90 HB2 PHE 13 HB2 PHE 13 8.719 0.611 2.463 91 HB3 PHE 13 HB3 PHE 13 7.040 0.133 2.684 92 HD1 PHE 13 HD1 PHE 13 6.167 -0.221 5.005 93 HD2 PHE 13 HD2 PHE 13 9.993 1.477 4.240 94 HE1 PHE 13 HE1 PHE 13 6.219 0.685 7.291 95 HE2 PHE 13 HE2 PHE 13 10.051 2.382 6.526 96 HZ PHE 13 HZ PHE 13 8.162 1.988 8.052 97 H VAL 14 H VAL 14 6.328 -2.082 1.785 98 HA VAL 14 HA VAL 14 4.691 -3.034 3.824 99 HB VAL 14 HB VAL 14 4.730 -3.698 0.876 100 HG11 VAL 14 HG11 VAL 14 3.635 -5.531 2.036 101 HG12 VAL 14 HG12 VAL 14 2.446 -4.559 1.169 102 HG13 VAL 14 HG13 VAL 14 2.617 -4.392 2.917 103 HG21 VAL 14 HG21 VAL 14 2.975 -1.882 2.522 104 HG22 VAL 14 HG22 VAL 14 2.818 -2.174 0.789 105 HG23 VAL 14 HG23 VAL 14 4.257 -1.374 1.423 106 H ALA 15 H ALA 15 6.701 -4.960 1.571 107 HA ALA 15 HA ALA 15 5.980 -7.458 2.574 108 HB1 ALA 15 HB1 ALA 15 7.152 -7.111 0.443 109 HB2 ALA 15 HB2 ALA 15 7.946 -8.324 1.450 110 HB3 ALA 15 HB3 ALA 15 8.619 -6.697 1.329 111 H SER 16 H SER 16 8.288 -5.148 3.821 112 HA SER 16 HA SER 16 9.600 -7.045 5.538 113 HB2 SER 16 HB2 SER 16 10.766 -5.042 4.661 114 HB3 SER 16 HB3 SER 16 9.689 -4.020 5.611 115 HG SER 16 HG SER 16 10.546 -5.538 7.406 116 H TYR 17 H TYR 17 7.168 -4.477 5.991 117 HA TYR 17 HA TYR 17 7.021 -4.940 8.830 118 HB2 TYR 17 HB2 TYR 17 6.578 -2.717 7.735 119 HB3 TYR 17 HB3 TYR 17 5.086 -3.395 7.091 120 HD1 TYR 17 HD1 TYR 17 6.861 -2.633 10.258 121 HD2 TYR 17 HD2 TYR 17 3.121 -3.393 8.381 122 HE1 TYR 17 HE1 TYR 17 5.701 -1.998 12.330 123 HE2 TYR 17 HE2 TYR 17 1.948 -2.762 10.448 124 HH TYR 17 HH TYR 17 2.411 -2.642 12.858 125 H MET 18 H MET 18 5.097 -5.734 6.006 126 HA MET 18 HA MET 18 2.935 -6.989 7.287 127 HB2 MET 18 HB2 MET 18 4.085 -6.963 4.548 128 HB3 MET 18 HB3 MET 18 2.946 -8.237 4.929 129 HG2 MET 18 HG2 MET 18 1.894 -6.277 3.882 130 HG3 MET 18 HG3 MET 18 1.246 -6.635 5.481 131 HE1 MET 18 HE1 MET 18 0.119 -4.225 5.523 132 HE2 MET 18 HE2 MET 18 0.792 -3.876 3.930 133 HE3 MET 18 HE3 MET 18 1.006 -2.724 5.252 134 H LYS 19 H LYS 19 6.120 -8.112 6.507 135 HA LYS 19 HA LYS 19 5.914 -10.848 6.669 136 HB2 LYS 19 HB2 LYS 19 7.998 -9.677 6.172 137 HB3 LYS 19 HB3 LYS 19 8.056 -9.037 7.803 138 HG2 LYS 19 HG2 LYS 19 8.050 -11.989 7.409 139 HG3 LYS 19 HG3 LYS 19 9.527 -11.077 7.104 140 HD2 LYS 19 HD2 LYS 19 9.370 -10.128 9.384 141 HD3 LYS 19 HD3 LYS 19 7.949 -11.132 9.675 142 HE2 LYS 19 HE2 LYS 19 9.316 -13.136 9.248 143 HE3 LYS 19 HE3 LYS 19 10.731 -12.104 9.048 144 HZ1 LYS 19 HZ1 LYS 19 10.434 -11.340 11.336 145 HZ2 LYS 19 HZ2 LYS 19 10.640 -13.019 11.272 146 HZ3 LYS 19 HZ3 LYS 19 9.097 -12.363 11.515 147 H THR 20 H THR 20 5.667 -8.492 9.245 148 HA THR 20 HA THR 20 6.085 -10.105 11.472 149 HB THR 20 HB THR 20 4.100 -7.834 11.346 150 HG1 THR 20 HG1 THR 20 5.838 -6.797 10.639 151 HG21 THR 20 HG21 THR 20 5.867 -8.866 13.569 152 HG22 THR 20 HG22 THR 20 4.125 -9.101 13.441 153 HG23 THR 20 HG23 THR 20 4.780 -7.481 13.677 154 H TYR 21 H TYR 21 2.921 -9.255 9.977 155 HA TYR 21 HA TYR 21 1.650 -11.232 11.669 156 HB2 TYR 21 HB2 TYR 21 -0.415 -10.277 11.028 157 HB3 TYR 21 HB3 TYR 21 0.682 -8.939 11.292 158 HD1 TYR 21 HD2 TYR 21 1.471 -7.594 9.391 159 HD2 TYR 21 HD1 TYR 21 -1.323 -10.756 8.854 160 HE1 TYR 21 HE2 TYR 21 0.895 -6.704 7.173 161 HE2 TYR 21 HE1 TYR 21 -1.909 -9.874 6.635 162 HH TYR 21 HH TYR 21 -1.834 -7.677 5.449 163 H SER 22 H SER 22 3.087 -11.170 8.651 164 HA SER 22 HA SER 22 1.496 -12.845 7.092 165 HB2 SER 22 HB2 SER 22 3.508 -11.698 6.253 166 HB3 SER 22 HB3 SER 22 4.522 -12.756 7.232 167 HG SER 22 HG SER 22 2.826 -14.204 5.709 168 H ARG 23 H ARG 23 3.311 -13.591 9.939 169 HA ARG 23 HA ARG 23 3.571 -16.388 9.578 170 HB2 ARG 23 HB2 ARG 23 3.417 -14.714 12.087 171 HB3 ARG 23 HB3 ARG 23 3.779 -16.431 12.076 172 HG2 ARG 23 HG2 ARG 23 5.757 -15.921 10.640 173 HG3 ARG 23 HG3 ARG 23 5.426 -14.207 10.906 174 HD2 ARG 23 HD2 ARG 23 7.108 -14.990 12.472 175 HD3 ARG 23 HD3 ARG 23 5.626 -14.559 13.327 176 HE ARG 23 HE ARG 23 5.847 -17.357 12.622 177 HH11 ARG 23 HH11 ARG 23 6.523 -14.929 15.061 178 HH12 ARG 23 HH12 ARG 23 6.607 -16.071 16.362 179 HH21 ARG 23 HH21 ARG 23 5.945 -18.864 14.336 180 HH22 ARG 23 HH22 ARG 23 6.281 -18.313 15.954 181 H ARG 24 H ARG 24 0.919 -14.358 10.337 182 HA ARG 24 HA ARG 24 -0.651 -16.640 11.340 183 HB2 ARG 24 HB2 ARG 24 -1.149 -13.689 11.779 184 HB3 ARG 24 HB3 ARG 24 -2.027 -15.022 12.519 185 HG2 ARG 24 HG2 ARG 24 -0.139 -15.658 13.815 186 HG3 ARG 24 HG3 ARG 24 0.917 -14.564 12.922 187 HD2 ARG 24 HD2 ARG 24 0.411 -13.573 15.043 188 HD3 ARG 24 HD3 ARG 24 -0.415 -12.657 13.785 189 HE ARG 24 HE ARG 24 -1.811 -14.699 15.391 190 HH11 ARG 24 HH11 ARG 24 -1.539 -11.430 14.150 191 HH12 ARG 24 HH12 ARG 24 -3.109 -10.940 14.723 192 HH21 ARG 24 HH21 ARG 24 -3.826 -14.036 16.229 193 HH22 ARG 24 HH22 ARG 24 -4.384 -12.414 15.953 194 H LEU 25 H LEU 25 -0.064 -15.396 8.553 195 HA LEU 25 HA LEU 25 -2.874 -15.346 7.681 196 HB2 LEU 25 HB2 LEU 25 -1.650 -13.081 7.651 197 HB3 LEU 25 HB3 LEU 25 -0.704 -13.747 6.343 198 HG LEU 25 HG LEU 25 -2.792 -14.072 5.052 199 HD11 LEU 25 HD11 LEU 25 -4.349 -14.235 6.921 200 HD12 LEU 25 HD12 LEU 25 -4.829 -12.947 5.817 201 HD13 LEU 25 HD13 LEU 25 -4.034 -12.552 7.341 202 HD21 LEU 25 HD21 LEU 25 -2.328 -11.252 6.009 203 HD22 LEU 25 HD22 LEU 25 -3.100 -11.729 4.496 204 HD23 LEU 25 HD23 LEU 25 -1.391 -12.076 4.764 205 H GLU 26 H GLU 26 -3.326 -16.559 5.908 206 HA GLU 26 HA GLU 26 -1.504 -18.502 5.009 207 HB2 GLU 26 HB2 GLU 26 -4.115 -17.499 3.892 208 HB3 GLU 26 HB3 GLU 26 -3.230 -18.849 3.210 209 HG2 GLU 26 HG2 GLU 26 -3.561 -20.180 5.098 210 HG3 GLU 26 HG3 GLU 26 -4.029 -18.798 6.085 211 H ILE 27 H ILE 27 -0.306 -18.667 3.178 212 HA ILE 27 HA ILE 27 0.826 -16.320 2.112 213 HB ILE 27 HB ILE 27 0.872 -19.111 0.947 214 HG12 ILE 27 HG12 ILE 27 1.763 -19.072 3.211 215 HG13 ILE 27 HG13 ILE 27 3.083 -19.267 2.062 216 HG21 ILE 27 HG21 ILE 27 1.494 -17.420 -0.705 217 HG22 ILE 27 HG22 ILE 27 2.887 -18.394 -0.236 218 HG23 ILE 27 HG23 ILE 27 2.692 -16.765 0.410 219 HD11 ILE 27 HD11 ILE 27 3.606 -16.886 2.275 220 HD12 ILE 27 HD12 ILE 27 3.694 -17.723 3.825 221 HD13 ILE 27 HD13 ILE 27 2.299 -16.710 3.446 222 H GLY 28 H GLY 28 -1.779 -18.399 1.012 223 HA2 GLY 28 HA2 GLY 28 -2.105 -17.487 -1.596 224 HA3 GLY 28 HA3 GLY 28 -3.400 -18.106 -0.583 225 H THR 29 H THR 29 -3.564 -16.181 1.385 226 HA THR 29 HA THR 29 -4.883 -14.101 -0.102 227 HB THR 29 HB THR 29 -6.019 -14.979 1.841 228 HG1 THR 29 HG1 THR 29 -6.779 -13.029 1.959 229 HG21 THR 29 HG21 THR 29 -4.136 -15.643 3.210 230 HG22 THR 29 HG22 THR 29 -5.211 -14.580 4.121 231 HG23 THR 29 HG23 THR 29 -3.700 -13.953 3.462 232 H PHE 30 H PHE 30 -2.133 -14.280 2.152 233 HA PHE 30 HA PHE 30 -1.438 -11.611 2.265 234 HB2 PHE 30 HB2 PHE 30 -0.387 -13.400 3.599 235 HB3 PHE 30 HB3 PHE 30 0.425 -13.994 2.156 236 HD1 PHE 30 HD2 PHE 30 0.145 -11.036 4.375 237 HD2 PHE 30 HD1 PHE 30 2.508 -13.155 1.542 238 HE1 PHE 30 HE2 PHE 30 2.041 -9.536 4.838 239 HE2 PHE 30 HE1 PHE 30 4.408 -11.663 2.001 240 HZ PHE 30 HZ PHE 30 4.176 -9.850 3.649 241 H ARG 31 H ARG 31 -0.559 -13.984 -0.240 242 HA ARG 31 HA ARG 31 1.258 -12.242 -1.551 243 HB2 ARG 31 HB2 ARG 31 1.548 -13.904 -3.156 244 HB3 ARG 31 HB3 ARG 31 1.169 -14.791 -1.690 245 HG2 ARG 31 HG2 ARG 31 -1.110 -15.126 -2.445 246 HG3 ARG 31 HG3 ARG 31 -0.785 -14.170 -3.895 247 HD2 ARG 31 HD2 ARG 31 1.045 -15.827 -4.419 248 HD3 ARG 31 HD3 ARG 31 0.397 -16.826 -3.121 249 HE ARG 31 HE ARG 31 -1.518 -16.016 -5.142 250 HH11 ARG 31 HH11 ARG 31 0.753 -18.452 -4.075 251 HH12 ARG 31 HH12 ARG 31 0.028 -19.730 -4.995 252 HH21 ARG 31 HH21 ARG 31 -2.456 -17.689 -6.400 253 HH22 ARG 31 HH22 ARG 31 -1.773 -19.287 -6.351 254 H HIS 32 H HIS 32 -2.165 -12.470 -1.614 255 HA HIS 32 HA HIS 32 -2.765 -11.571 -4.192 256 HB2 HIS 32 HB2 HIS 32 -4.200 -11.112 -1.577 257 HB3 HIS 32 HB3 HIS 32 -4.827 -10.531 -3.113 258 HD1 HIS 32 HD1 HIS 32 -6.202 -12.682 -1.240 259 HD2 HIS 32 HD2 HIS 32 -4.024 -13.453 -4.695 260 HE1 HIS 32 HE1 HIS 32 -6.985 -14.929 -2.044 261 HE2 HIS 32 HE2 HIS 32 -5.841 -15.246 -4.268 262 H HIS 33 H HIS 33 -1.413 -9.893 -1.495 263 HA HIS 33 HA HIS 33 -1.625 -7.339 -2.938 264 HB2 HIS 33 HB2 HIS 33 -0.874 -7.925 -0.061 265 HB3 HIS 33 HB3 HIS 33 -0.820 -6.326 -0.790 266 HD1 HIS 33 HD1 HIS 33 -2.787 -4.982 -0.143 267 HD2 HIS 33 HD2 HIS 33 -3.722 -9.025 -0.465 268 HE1 HIS 33 HE1 HIS 33 -5.230 -5.163 0.417 269 HE2 HIS 33 HE2 HIS 33 -5.787 -7.613 0.200 270 H LYS 34 H LYS 34 0.716 -9.144 -0.987 271 HA LYS 34 HA LYS 34 2.991 -7.714 -1.560 272 HB2 LYS 34 HB2 LYS 34 3.047 -9.265 0.203 273 HB3 LYS 34 HB3 LYS 34 2.543 -10.592 -0.826 274 HG2 LYS 34 HG2 LYS 34 5.084 -9.366 -1.604 275 HG3 LYS 34 HG3 LYS 34 5.092 -10.130 -0.011 276 HD2 LYS 34 HD2 LYS 34 4.314 -12.208 -0.961 277 HD3 LYS 34 HD3 LYS 34 4.129 -11.454 -2.544 278 HE2 LYS 34 HE2 LYS 34 6.529 -11.075 -2.659 279 HE3 LYS 34 HE3 LYS 34 6.725 -11.787 -1.058 280 HZ1 LYS 34 HZ1 LYS 34 7.236 -13.343 -2.877 281 HZ2 LYS 34 HZ2 LYS 34 5.636 -13.223 -3.416 282 HZ3 LYS 34 HZ3 LYS 34 5.966 -13.890 -1.892 283 H SER 35 H SER 35 1.906 -10.654 -3.285 284 HA SER 35 HA SER 35 4.166 -10.586 -5.035 285 HB2 SER 35 HB2 SER 35 1.626 -12.221 -5.237 286 HB3 SER 35 HB3 SER 35 3.128 -12.521 -6.113 287 HG SER 35 HG SER 35 3.561 -13.731 -4.435 288 H CYS 36 H CYS 36 0.996 -9.220 -5.112 289 HA CYS 36 HA CYS 36 0.934 -8.868 -7.970 290 HB2 CYS 36 HB2 CYS 36 -0.803 -7.872 -5.725 291 HB3 CYS 36 HB3 CYS 36 -1.055 -7.395 -7.397 292 HG CYS 36 HG CYS 36 -0.807 -10.695 -7.064 293 H MET 37 H MET 37 1.437 -6.779 -5.165 294 HA MET 37 HA MET 37 1.819 -4.370 -6.557 295 HB2 MET 37 HB2 MET 37 2.918 -5.280 -3.890 296 HB3 MET 37 HB3 MET 37 2.989 -3.623 -4.480 297 HG2 MET 37 HG2 MET 37 0.650 -3.376 -4.381 298 HG3 MET 37 HG3 MET 37 0.397 -5.110 -4.197 299 HE1 MET 37 HE1 MET 37 2.152 -2.402 -0.892 300 HE2 MET 37 HE2 MET 37 1.602 -1.800 -2.457 301 HE3 MET 37 HE3 MET 37 3.035 -2.822 -2.359 302 H ARG 38 H ARG 38 3.976 -7.048 -5.984 303 HA ARG 38 HA ARG 38 6.342 -5.667 -6.829 304 HB2 ARG 38 HB2 ARG 38 5.664 -8.531 -6.264 305 HB3 ARG 38 HB3 ARG 38 7.185 -8.100 -7.017 306 HG2 ARG 38 HG2 ARG 38 7.549 -6.540 -5.051 307 HG3 ARG 38 HG3 ARG 38 6.197 -7.381 -4.287 308 HD2 ARG 38 HD2 ARG 38 8.338 -8.347 -3.606 309 HD3 ARG 38 HD3 ARG 38 7.374 -9.508 -4.521 310 HE ARG 38 HE ARG 38 8.962 -8.315 -6.403 311 HH11 ARG 38 HH11 ARG 38 9.552 -10.050 -3.404 312 HH12 ARG 38 HH12 ARG 38 11.104 -10.639 -3.917 313 HH21 ARG 38 HH21 ARG 38 11.016 -9.091 -7.058 314 HH22 ARG 38 HH22 ARG 38 11.936 -10.091 -5.972 315 H LYS 39 H LYS 39 3.756 -7.287 -8.407 316 HA LYS 39 HA LYS 39 4.946 -8.606 -10.481 317 HB2 LYS 39 HB2 LYS 39 2.344 -7.914 -9.680 318 HB3 LYS 39 HB3 LYS 39 2.484 -7.441 -11.364 319 HG2 LYS 39 HG2 LYS 39 3.029 -10.180 -10.245 320 HG3 LYS 39 HG3 LYS 39 1.611 -9.687 -11.175 321 HD2 LYS 39 HD2 LYS 39 2.926 -10.661 -12.787 322 HD3 LYS 39 HD3 LYS 39 3.357 -8.969 -12.956 323 HE2 LYS 39 HE2 LYS 39 5.397 -10.125 -12.995 324 HE3 LYS 39 HE3 LYS 39 5.280 -9.454 -11.378 325 HZ1 LYS 39 HZ1 LYS 39 4.573 -12.249 -12.087 326 HZ2 LYS 39 HZ2 LYS 39 4.601 -11.577 -10.531 327 HZ3 LYS 39 HZ3 LYS 39 6.046 -11.770 -11.395 328 H PHE 40 H PHE 40 3.433 -5.412 -10.799 329 HA PHE 40 HA PHE 40 3.883 -4.978 -13.445 330 HB2 PHE 40 HB2 PHE 40 2.602 -3.507 -11.820 331 HB3 PHE 40 HB3 PHE 40 4.144 -2.762 -11.415 332 HD1 PHE 40 HD1 PHE 40 1.823 -3.422 -14.222 333 HD2 PHE 40 HD2 PHE 40 5.021 -1.042 -12.737 334 HE1 PHE 40 HE1 PHE 40 1.569 -1.897 -16.135 335 HE2 PHE 40 HE2 PHE 40 4.773 0.488 -14.649 336 HZ PHE 40 HZ PHE 40 3.047 0.062 -16.351 337 H LYS 41 H LYS 41 6.075 -3.969 -10.841 338 HA LYS 41 HA LYS 41 8.290 -3.437 -10.800 339 HB2 LYS 41 HB2 LYS 41 8.468 -5.815 -10.985 340 HB3 LYS 41 HB3 LYS 41 8.265 -5.755 -12.729 341 HG2 LYS 41 HG2 LYS 41 10.421 -4.577 -12.917 342 HG3 LYS 41 HG3 LYS 41 10.622 -4.711 -11.169 343 HD2 LYS 41 HD2 LYS 41 10.682 -7.108 -11.299 344 HD3 LYS 41 HD3 LYS 41 10.277 -7.069 -13.017 345 HE2 LYS 41 HE2 LYS 41 12.770 -5.850 -11.839 346 HE3 LYS 41 HE3 LYS 41 12.700 -7.474 -12.523 347 HZ1 LYS 41 HZ1 LYS 41 13.513 -5.665 -14.046 348 HZ2 LYS 41 HZ2 LYS 41 11.929 -5.061 -14.065 349 HZ3 LYS 41 HZ3 LYS 41 12.246 -6.617 -14.654 350 H GLU 42 H GLU 42 8.351 -1.318 -11.700 351 HA GLU 42 HA GLU 42 9.139 -1.113 -14.488 352 HB2 GLU 42 HB2 GLU 42 8.733 0.923 -12.310 353 HB3 GLU 42 HB3 GLU 42 9.459 1.348 -13.852 354 HG2 GLU 42 HG2 GLU 42 7.392 0.446 -14.953 355 HG3 GLU 42 HG3 GLU 42 6.686 0.316 -13.342 356 H TYR 43 H TYR 43 10.650 0.672 -11.870 357 HA TYR 43 HA TYR 43 13.238 -0.573 -12.555 358 HB2 TYR 43 HB2 TYR 43 12.534 2.232 -11.711 359 HB3 TYR 43 HB3 TYR 43 14.169 1.608 -11.528 360 HD1 TYR 43 HD1 TYR 43 11.505 2.083 -14.106 361 HD2 TYR 43 HD2 TYR 43 15.666 1.810 -13.268 362 HE1 TYR 43 HE1 TYR 43 12.012 2.732 -16.424 363 HE2 TYR 43 HE2 TYR 43 16.181 2.454 -15.579 364 HH TYR 43 HH TYR 43 15.274 2.623 -17.687 365 H CYS 44 H CYS 44 11.044 -1.174 -10.545 366 HA CYS 44 HA CYS 44 10.811 -1.944 -8.433 367 HB2 CYS 44 HB2 CYS 44 13.784 -1.460 -8.147 368 HB3 CYS 44 HB3 CYS 44 12.777 -2.363 -7.020 369 HG CYS 44 HG CYS 44 13.301 -4.615 -8.128 370 H GLU 45 H GLU 45 11.572 1.073 -9.304 371 HA GLU 45 HA GLU 45 11.293 2.279 -6.652 372 HB2 GLU 45 HB2 GLU 45 12.924 2.999 -8.619 373 HB3 GLU 45 HB3 GLU 45 11.494 3.819 -9.223 374 HG2 GLU 45 HG2 GLU 45 12.701 4.264 -6.500 375 HG3 GLU 45 HG3 GLU 45 13.018 5.262 -7.916 376 H GLY 46 H GLY 46 9.499 3.750 -6.265 377 HA2 GLY 46 HA2 GLY 46 7.438 4.273 -8.056 378 HA3 GLY 46 HA3 GLY 46 7.043 2.747 -7.283 379 H LEU 47 H LEU 47 7.302 6.170 -6.920 380 HA LEU 47 HA LEU 47 6.058 7.575 -5.649 381 HB2 LEU 47 HB2 LEU 47 4.271 5.890 -5.779 382 HB3 LEU 47 HB3 LEU 47 4.941 5.071 -4.386 383 HG LEU 47 HG LEU 47 2.867 6.577 -4.084 384 HD11 LEU 47 HD11 LEU 47 5.256 6.870 -2.275 385 HD12 LEU 47 HD12 LEU 47 4.046 5.588 -2.219 386 HD13 LEU 47 HD13 LEU 47 3.590 7.249 -1.840 387 HD21 LEU 47 HD21 LEU 47 3.708 8.517 -5.282 388 HD22 LEU 47 HD22 LEU 47 5.024 8.679 -4.119 389 HD23 LEU 47 HD23 LEU 47 3.354 8.921 -3.602 390 H GLN 48 H GLN 48 6.817 8.804 -4.107 391 HA GLN 48 HA GLN 48 8.300 7.537 -1.900 392 HB2 GLN 48 HB2 GLN 48 9.052 9.684 -3.668 393 HB3 GLN 48 HB3 GLN 48 9.011 10.260 -2.015 394 HG2 GLN 48 HG2 GLN 48 11.204 9.569 -2.321 395 HG3 GLN 48 HG3 GLN 48 10.452 8.241 -1.446 396 HE21 GLN 48 HE21 GLN 48 9.093 7.165 -3.770 397 HE22 GLN 48 HE22 GLN 48 10.311 6.425 -4.762 398 H PHE 49 H PHE 49 8.492 9.663 -0.191 399 HA PHE 49 HA PHE 49 5.861 9.322 0.945 400 HB2 PHE 49 HB2 PHE 49 8.476 10.301 2.048 401 HB3 PHE 49 HB3 PHE 49 6.984 10.395 2.978 402 HD1 PHE 49 HD2 PHE 49 9.349 8.080 1.342 403 HD2 PHE 49 HD1 PHE 49 6.050 8.479 4.002 404 HE1 PHE 49 HE2 PHE 49 9.628 5.735 2.034 405 HE2 PHE 49 HE1 PHE 49 6.323 6.137 4.699 406 HZ PHE 49 HZ PHE 49 8.112 4.762 3.715 407 H HIS 50 H HIS 50 7.578 11.944 -0.542 408 HA HIS 50 HA HIS 50 5.852 13.925 0.731 409 HB2 HIS 50 HB2 HIS 50 8.061 14.247 -1.308 410 HB3 HIS 50 HB3 HIS 50 7.135 15.578 -0.622 411 HD1 HIS 50 HD1 HIS 50 7.388 15.872 2.053 412 HD2 HIS 50 HD2 HIS 50 10.216 13.478 0.164 413 HE1 HIS 50 HE1 HIS 50 9.295 15.657 3.682 414 HE2 HIS 50 HE2 HIS 50 10.888 14.026 2.602 415 H GLU 51 H GLU 51 6.222 12.225 -2.243 416 HA GLU 51 HA GLU 51 4.201 13.775 -3.607 417 HB2 GLU 51 HB2 GLU 51 4.593 11.656 -5.244 418 HB3 GLU 51 HB3 GLU 51 5.567 13.116 -5.275 419 HG2 GLU 51 HG2 GLU 51 6.292 10.687 -3.660 420 HG3 GLU 51 HG3 GLU 51 6.806 10.936 -5.326 421 H LEU 52 H LEU 52 4.145 11.431 -1.316 422 HA LEU 52 HA LEU 52 1.813 9.999 -2.242 423 HB2 LEU 52 HB2 LEU 52 3.607 9.050 -0.719 424 HB3 LEU 52 HB3 LEU 52 2.976 10.080 0.546 425 HG LEU 52 HG LEU 52 2.258 7.645 0.579 426 HD11 LEU 52 HD11 LEU 52 -0.037 8.154 1.251 427 HD12 LEU 52 HD12 LEU 52 0.108 9.752 0.518 428 HD13 LEU 52 HD13 LEU 52 1.112 9.321 1.903 429 HD21 LEU 52 HD21 LEU 52 0.378 7.037 -0.865 430 HD22 LEU 52 HD22 LEU 52 1.842 7.358 -1.794 431 HD23 LEU 52 HD23 LEU 52 0.555 8.564 -1.730 432 H THR 53 H THR 53 0.011 11.154 -2.420 433 HA THR 53 HA THR 53 -0.846 12.794 -0.138 434 HB THR 53 HB THR 53 -1.781 14.460 -1.714 435 HG1 THR 53 HG1 THR 53 -0.243 13.747 -3.865 436 HG21 THR 53 HG21 THR 53 1.191 14.019 -2.033 437 HG22 THR 53 HG22 THR 53 0.404 14.911 -0.731 438 HG23 THR 53 HG23 THR 53 0.335 15.520 -2.385 439 H GLU 54 H GLU 54 -3.237 13.370 -0.395 440 HA GLU 54 HA GLU 54 -4.890 11.155 -0.813 441 HB2 GLU 54 HB2 GLU 54 -5.645 13.035 0.499 442 HB3 GLU 54 HB3 GLU 54 -5.475 14.122 -0.867 443 HG2 GLU 54 HG2 GLU 54 -7.380 11.831 -1.023 444 HG3 GLU 54 HG3 GLU 54 -7.819 13.285 -0.129 445 H ASP 55 H ASP 55 -3.888 13.755 -2.957 446 HA ASP 55 HA ASP 55 -5.396 13.123 -5.215 447 HB2 ASP 55 HB2 ASP 55 -4.101 15.190 -5.052 448 HB3 ASP 55 HB3 ASP 55 -2.599 14.272 -5.059 449 H PHE 56 H PHE 56 -2.255 11.866 -4.128 450 HA PHE 56 HA PHE 56 -1.828 10.254 -6.415 451 HB2 PHE 56 HB2 PHE 56 0.011 10.826 -4.863 452 HB3 PHE 56 HB3 PHE 56 -0.729 9.801 -3.633 453 HD1 PHE 56 HD1 PHE 56 0.969 9.831 -6.887 454 HD2 PHE 56 HD2 PHE 56 -0.557 7.410 -3.735 455 HE1 PHE 56 HE1 PHE 56 2.128 7.877 -7.833 456 HE2 PHE 56 HE2 PHE 56 0.604 5.454 -4.669 457 HZ PHE 56 HZ PHE 56 1.945 5.686 -6.722 458 H LEU 57 H LEU 57 -3.246 9.513 -3.223 459 HA LEU 57 HA LEU 57 -3.797 6.819 -3.628 460 HB2 LEU 57 HB2 LEU 57 -5.090 8.992 -2.037 461 HB3 LEU 57 HB3 LEU 57 -5.924 7.459 -2.189 462 HG LEU 57 HG LEU 57 -4.591 7.671 -0.113 463 HD11 LEU 57 HD11 LEU 57 -3.718 5.521 -2.027 464 HD12 LEU 57 HD12 LEU 57 -5.126 5.481 -0.965 465 HD13 LEU 57 HD13 LEU 57 -3.503 5.475 -0.277 466 HD21 LEU 57 HD21 LEU 57 -2.221 7.609 -1.965 467 HD22 LEU 57 HD22 LEU 57 -2.170 7.497 -0.206 468 HD23 LEU 57 HD23 LEU 57 -2.727 8.981 -0.979 469 H ARG 58 H ARG 58 -5.642 9.670 -4.561 470 HA ARG 58 HA ARG 58 -7.775 8.297 -5.808 471 HB2 ARG 58 HB2 ARG 58 -8.316 10.473 -5.313 472 HB3 ARG 58 HB3 ARG 58 -6.733 11.087 -5.754 473 HG2 ARG 58 HG2 ARG 58 -8.419 10.048 -7.950 474 HG3 ARG 58 HG3 ARG 58 -8.926 11.557 -7.183 475 HD2 ARG 58 HD2 ARG 58 -6.717 12.510 -7.588 476 HD3 ARG 58 HD3 ARG 58 -6.188 11.001 -8.325 477 HE ARG 58 HE ARG 58 -8.494 12.305 -9.531 478 HH11 ARG 58 HH11 ARG 58 -5.053 11.679 -9.603 479 HH12 ARG 58 HH12 ARG 58 -4.860 12.180 -11.254 480 HH21 ARG 58 HH21 ARG 58 -8.249 13.005 -11.685 481 HH22 ARG 58 HH22 ARG 58 -6.684 12.939 -12.439 482 H ASP 59 H ASP 59 -4.709 9.574 -7.059 483 HA ASP 59 HA ASP 59 -5.302 9.061 -9.794 484 HB2 ASP 59 HB2 ASP 59 -3.603 10.701 -9.080 485 HB3 ASP 59 HB3 ASP 59 -2.602 9.388 -8.466 486 H TYR 60 H TYR 60 -3.519 7.262 -7.328 487 HA TYR 60 HA TYR 60 -2.658 5.188 -9.053 488 HB2 TYR 60 HB2 TYR 60 -1.738 5.755 -6.742 489 HB3 TYR 60 HB3 TYR 60 -3.138 4.916 -6.085 490 HD1 TYR 60 HD2 TYR 60 -0.530 4.293 -8.689 491 HD2 TYR 60 HD1 TYR 60 -2.765 2.735 -5.422 492 HE1 TYR 60 HE2 TYR 60 0.670 2.158 -8.895 493 HE2 TYR 60 HE1 TYR 60 -1.571 0.595 -5.619 494 HH TYR 60 HH TYR 60 1.219 0.214 -7.568 495 H LEU 61 H LEU 61 -5.546 5.718 -7.145 496 HA LEU 61 HA LEU 61 -6.799 3.237 -7.445 497 HB2 LEU 61 HB2 LEU 61 -7.685 4.912 -5.978 498 HB3 LEU 61 HB3 LEU 61 -7.903 6.040 -7.297 499 HG LEU 61 HG LEU 61 -9.636 4.501 -8.236 500 HD11 LEU 61 HD11 LEU 61 -9.269 3.105 -5.594 501 HD12 LEU 61 HD12 LEU 61 -8.974 2.433 -7.198 502 HD13 LEU 61 HD13 LEU 61 -10.616 2.843 -6.702 503 HD21 LEU 61 HD21 LEU 61 -10.088 5.586 -5.462 504 HD22 LEU 61 HD22 LEU 61 -11.360 5.133 -6.597 505 HD23 LEU 61 HD23 LEU 61 -10.268 6.464 -6.978 506 H ILE 62 H ILE 62 -6.969 6.135 -9.481 507 HA ILE 62 HA ILE 62 -8.539 5.036 -11.540 508 HB ILE 62 HB ILE 62 -6.478 7.242 -11.720 509 HG12 ILE 62 HG12 ILE 62 -9.480 7.356 -11.326 510 HG13 ILE 62 HG13 ILE 62 -8.275 7.662 -10.079 511 HG21 ILE 62 HG21 ILE 62 -8.725 6.525 -13.601 512 HG22 ILE 62 HG22 ILE 62 -7.000 6.342 -13.921 513 HG23 ILE 62 HG23 ILE 62 -7.694 7.952 -13.728 514 HD11 ILE 62 HD11 ILE 62 -7.468 9.592 -11.354 515 HD12 ILE 62 HD12 ILE 62 -9.176 9.735 -10.933 516 HD13 ILE 62 HD13 ILE 62 -8.706 9.289 -12.574 517 H TYR 63 H TYR 63 -5.019 5.311 -11.206 518 HA TYR 63 HA TYR 63 -4.249 4.130 -13.611 519 HB2 TYR 63 HB2 TYR 63 -2.780 5.311 -11.930 520 HB3 TYR 63 HB3 TYR 63 -2.821 3.848 -10.959 521 HD1 TYR 63 HD1 TYR 63 -1.660 1.808 -11.740 522 HD2 TYR 63 HD2 TYR 63 -1.423 5.470 -13.899 523 HE1 TYR 63 HE1 TYR 63 0.295 0.956 -12.965 524 HE2 TYR 63 HE2 TYR 63 0.526 4.622 -15.132 525 HH TYR 63 HH TYR 63 2.371 2.868 -14.685 526 H MET 64 H MET 64 -5.134 2.686 -10.532 527 HA MET 64 HA MET 64 -4.455 0.014 -11.058 528 HB2 MET 64 HB2 MET 64 -5.084 0.986 -8.835 529 HB3 MET 64 HB3 MET 64 -6.754 1.029 -9.380 530 HG2 MET 64 HG2 MET 64 -6.871 -0.947 -8.342 531 HG3 MET 64 HG3 MET 64 -6.176 -1.552 -9.845 532 HE1 MET 64 HE1 MET 64 -3.594 -0.522 -6.164 533 HE2 MET 64 HE2 MET 64 -5.341 -0.288 -6.198 534 HE3 MET 64 HE3 MET 64 -4.304 0.676 -7.248 535 H LYS 65 H LYS 65 -7.410 1.846 -11.663 536 HA LYS 65 HA LYS 65 -8.847 -0.443 -12.646 537 HB2 LYS 65 HB2 LYS 65 -9.894 1.493 -11.443 538 HB3 LYS 65 HB3 LYS 65 -9.554 2.493 -12.844 539 HG2 LYS 65 HG2 LYS 65 -11.162 0.002 -13.172 540 HG3 LYS 65 HG3 LYS 65 -11.914 1.450 -12.502 541 HD2 LYS 65 HD2 LYS 65 -11.238 2.708 -14.495 542 HD3 LYS 65 HD3 LYS 65 -10.500 1.251 -15.162 543 HE2 LYS 65 HE2 LYS 65 -12.694 0.154 -15.145 544 HE3 LYS 65 HE3 LYS 65 -13.420 1.625 -14.499 545 HZ1 LYS 65 HZ1 LYS 65 -12.045 1.386 -17.122 546 HZ2 LYS 65 HZ2 LYS 65 -12.767 2.791 -16.506 547 HZ3 LYS 65 HZ3 LYS 65 -13.726 1.446 -16.891 548 H LYS 66 H LYS 66 -7.205 2.348 -14.033 549 HA LYS 66 HA LYS 66 -8.084 1.861 -16.709 550 HB2 LYS 66 HB2 LYS 66 -7.469 4.092 -15.868 551 HB3 LYS 66 HB3 LYS 66 -5.805 3.559 -15.674 552 HG2 LYS 66 HG2 LYS 66 -5.887 4.806 -17.669 553 HG3 LYS 66 HG3 LYS 66 -5.783 3.113 -18.151 554 HD2 LYS 66 HD2 LYS 66 -8.141 3.048 -18.624 555 HD3 LYS 66 HD3 LYS 66 -8.354 4.676 -17.974 556 HE2 LYS 66 HE2 LYS 66 -6.828 5.517 -19.741 557 HE3 LYS 66 HE3 LYS 66 -6.784 3.894 -20.426 558 HZ1 LYS 66 HZ1 LYS 66 -8.385 5.416 -21.508 559 HZ2 LYS 66 HZ2 LYS 66 -9.269 5.474 -20.061 560 HZ3 LYS 66 HZ3 LYS 66 -9.103 4.005 -20.895 561 H THR 67 H THR 67 -4.800 1.742 -15.302 562 HA THR 67 HA THR 67 -3.830 0.333 -17.618 563 HB THR 67 HB THR 67 -2.335 0.995 -15.074 564 HG1 THR 67 HG1 THR 67 -2.680 2.494 -17.491 565 HG21 THR 67 HG21 THR 67 -1.390 0.394 -17.884 566 HG22 THR 67 HG22 THR 67 -1.202 -0.651 -16.476 567 HG23 THR 67 HG23 THR 67 -0.355 0.895 -16.549 568 H LEU 68 H LEU 68 -4.160 -0.406 -14.143 569 HA LEU 68 HA LEU 68 -3.043 -3.030 -14.504 570 HB2 LEU 68 HB2 LEU 68 -4.413 -1.816 -12.109 571 HB3 LEU 68 HB3 LEU 68 -3.538 -3.336 -12.115 572 HG LEU 68 HG LEU 68 -2.344 -0.607 -12.624 573 HD11 LEU 68 HD11 LEU 68 -2.938 -0.921 -10.300 574 HD12 LEU 68 HD12 LEU 68 -1.187 -0.987 -10.493 575 HD13 LEU 68 HD13 LEU 68 -2.109 -2.475 -10.271 576 HD21 LEU 68 HD21 LEU 68 -0.195 -1.746 -12.610 577 HD22 LEU 68 HD22 LEU 68 -1.219 -2.359 -13.908 578 HD23 LEU 68 HD23 LEU 68 -1.004 -3.301 -12.432 579 H CYS 69 H CYS 69 -6.135 -1.683 -14.803 580 HA CYS 69 HA CYS 69 -8.106 -2.547 -15.497 581 HB2 CYS 69 HB2 CYS 69 -6.567 -5.131 -15.804 582 HB3 CYS 69 HB3 CYS 69 -8.139 -4.769 -16.511 583 HG CYS 69 HG CYS 69 -5.429 -2.841 -17.270 584 H ASN 70 H ASN 70 -7.319 -2.646 -12.640 585 HA ASN 70 HA ASN 70 -8.943 -4.937 -11.775 586 HB2 ASN 70 HB2 ASN 70 -6.720 -3.448 -10.484 587 HB3 ASN 70 HB3 ASN 70 -7.987 -4.076 -9.441 588 HD21 ASN 70 HD21 ASN 70 -5.461 -4.930 -11.709 589 HD22 ASN 70 HD22 ASN 70 -5.370 -6.603 -11.266 590 H ALA 71 H ALA 71 -10.536 -4.669 -10.198 591 HA ALA 71 HA ALA 71 -12.128 -2.332 -10.692 592 HB1 ALA 71 HB1 ALA 71 -13.820 -3.468 -9.342 593 HB2 ALA 71 HB2 ALA 71 -12.638 -4.699 -8.897 594 HB3 ALA 71 HB3 ALA 71 -13.150 -4.533 -10.578 595 H ASP 72 H ASP 72 -13.265 -1.222 -8.882 596 HA ASP 72 HA ASP 72 -11.466 0.185 -7.295 597 HB2 ASP 72 HB2 ASP 72 -13.350 1.234 -6.253 598 HB3 ASP 72 HB3 ASP 72 -13.774 0.949 -7.935 599 H SER 73 H SER 73 -13.432 -2.634 -6.496 600 HA SER 73 HA SER 73 -13.054 -2.632 -3.730 601 HB2 SER 73 HB2 SER 73 -13.361 -5.055 -5.516 602 HB3 SER 73 HB3 SER 73 -13.751 -4.952 -3.798 603 HG SER 73 HG SER 73 -15.257 -3.211 -4.475 604 H THR 74 H THR 74 -11.077 -4.027 -6.308 605 HA THR 74 HA THR 74 -9.210 -5.266 -4.539 606 HB THR 74 HB THR 74 -8.729 -4.494 -7.426 607 HG1 THR 74 HG1 THR 74 -10.519 -6.274 -6.356 608 HG21 THR 74 HG21 THR 74 -7.260 -6.466 -7.403 609 HG22 THR 74 HG22 THR 74 -7.619 -6.706 -5.693 610 HG23 THR 74 HG23 THR 74 -6.753 -5.262 -6.218 611 H ALA 75 H ALA 75 -9.328 -2.241 -6.359 612 HA ALA 75 HA ALA 75 -6.742 -1.315 -5.791 613 HB1 ALA 75 HB1 ALA 75 -9.245 0.288 -6.299 614 HB2 ALA 75 HB2 ALA 75 -8.164 -0.359 -7.532 615 HB3 ALA 75 HB3 ALA 75 -7.590 0.882 -6.418 616 H GLN 76 H GLN 76 -9.825 -0.714 -4.132 617 HA GLN 76 HA GLN 76 -8.913 1.014 -2.160 618 HB2 GLN 76 HB2 GLN 76 -11.177 -0.960 -2.288 619 HB3 GLN 76 HB3 GLN 76 -10.911 0.045 -0.881 620 HG2 GLN 76 HG2 GLN 76 -11.262 1.156 -3.642 621 HG3 GLN 76 HG3 GLN 76 -12.603 0.887 -2.530 622 HE21 GLN 76 HE21 GLN 76 -9.801 2.817 -3.233 623 HE22 GLN 76 HE22 GLN 76 -10.108 4.049 -2.064 624 H ARG 77 H ARG 77 -8.961 -2.509 -2.262 625 HA ARG 77 HA ARG 77 -8.133 -2.848 0.434 626 HB2 ARG 77 HB2 ARG 77 -8.675 -4.570 -1.867 627 HB3 ARG 77 HB3 ARG 77 -7.376 -5.165 -0.839 628 HG2 ARG 77 HG2 ARG 77 -9.580 -6.053 -0.206 629 HG3 ARG 77 HG3 ARG 77 -8.821 -5.125 1.087 630 HD2 ARG 77 HD2 ARG 77 -10.185 -3.152 0.290 631 HD3 ARG 77 HD3 ARG 77 -11.070 -4.286 -0.729 632 HE ARG 77 HE ARG 77 -11.168 -5.389 1.780 633 HH11 ARG 77 HH11 ARG 77 -12.093 -2.296 0.417 634 HH12 ARG 77 HH12 ARG 77 -13.392 -2.040 1.538 635 HH21 ARG 77 HH21 ARG 77 -12.842 -5.040 3.278 636 HH22 ARG 77 HH22 ARG 77 -13.809 -3.603 3.176 637 H ASN 78 H ASN 78 -6.406 -2.718 -2.654 638 HA ASN 78 HA ASN 78 -3.855 -3.297 -1.585 639 HB2 ASN 78 HB2 ASN 78 -4.693 -1.803 -4.069 640 HB3 ASN 78 HB3 ASN 78 -3.007 -2.098 -3.662 641 HD21 ASN 78 HD21 ASN 78 -4.436 -3.021 -5.978 642 HD22 ASN 78 HD22 ASN 78 -4.397 -4.746 -5.932 643 H LEU 79 H LEU 79 -5.640 -0.313 -2.030 644 HA LEU 79 HA LEU 79 -3.590 1.429 -1.114 645 HB2 LEU 79 HB2 LEU 79 -6.588 1.792 -1.128 646 HB3 LEU 79 HB3 LEU 79 -5.426 3.064 -0.819 647 HG LEU 79 HG LEU 79 -5.700 1.541 -3.413 648 HD11 LEU 79 HD11 LEU 79 -7.580 3.041 -3.000 649 HD12 LEU 79 HD12 LEU 79 -6.564 3.632 -4.314 650 HD13 LEU 79 HD13 LEU 79 -6.461 4.373 -2.717 651 HD21 LEU 79 HD21 LEU 79 -4.138 3.222 -4.295 652 HD22 LEU 79 HD22 LEU 79 -3.407 2.230 -3.035 653 HD23 LEU 79 HD23 LEU 79 -3.938 3.870 -2.666 654 H SER 80 H SER 80 -6.126 -0.405 0.459 655 HA SER 80 HA SER 80 -5.966 0.757 3.003 656 HB2 SER 80 HB2 SER 80 -7.769 -0.803 2.220 657 HB3 SER 80 HB3 SER 80 -6.625 -2.132 2.402 658 HG SER 80 HG SER 80 -7.035 -2.135 4.455 659 H THR 81 H THR 81 -3.998 -1.770 1.488 660 HA THR 81 HA THR 81 -2.536 -2.307 3.892 661 HB THR 81 HB THR 81 -0.839 -3.148 1.947 662 HG1 THR 81 HG1 THR 81 -2.287 -2.413 0.290 663 HG21 THR 81 HG21 THR 81 -1.907 -5.350 2.205 664 HG22 THR 81 HG22 THR 81 -3.304 -4.571 2.946 665 HG23 THR 81 HG23 THR 81 -1.736 -4.513 3.748 666 H ILE 82 H ILE 82 -2.308 0.007 1.315 667 HA ILE 82 HA ILE 82 0.367 0.822 1.725 668 HB ILE 82 HB ILE 82 -1.988 2.292 0.534 669 HG12 ILE 82 HG12 ILE 82 0.398 0.900 -0.701 670 HG13 ILE 82 HG13 ILE 82 -1.260 0.313 -0.704 671 HG21 ILE 82 HG21 ILE 82 -0.375 3.914 1.390 672 HG22 ILE 82 HG22 ILE 82 -0.391 3.898 -0.373 673 HG23 ILE 82 HG23 ILE 82 0.916 3.103 0.502 674 HD11 ILE 82 HD11 ILE 82 -0.647 1.272 -2.851 675 HD12 ILE 82 HD12 ILE 82 -0.278 2.810 -2.067 676 HD13 ILE 82 HD13 ILE 82 -1.935 2.201 -2.083 677 H LYS 83 H LYS 83 -2.718 2.077 3.004 678 HA LYS 83 HA LYS 83 -1.619 4.178 4.484 679 HB2 LYS 83 HB2 LYS 83 -3.701 4.247 5.700 680 HB3 LYS 83 HB3 LYS 83 -4.010 4.006 3.996 681 HG2 LYS 83 HG2 LYS 83 -5.484 2.517 4.815 682 HG3 LYS 83 HG3 LYS 83 -4.068 1.466 4.785 683 HD2 LYS 83 HD2 LYS 83 -3.741 1.643 7.090 684 HD3 LYS 83 HD3 LYS 83 -4.714 3.110 7.212 685 HE2 LYS 83 HE2 LYS 83 -5.930 1.257 8.156 686 HE3 LYS 83 HE3 LYS 83 -6.722 1.792 6.676 687 HZ1 LYS 83 HZ1 LYS 83 -6.700 -0.536 6.592 688 HZ2 LYS 83 HZ2 LYS 83 -5.089 -0.636 7.093 689 HZ3 LYS 83 HZ3 LYS 83 -5.452 -0.061 5.548 690 H ILE 84 H ILE 84 -1.735 0.772 5.181 691 HA ILE 84 HA ILE 84 -1.232 0.913 7.943 692 HB ILE 84 HB ILE 84 -0.360 -1.191 5.951 693 HG12 ILE 84 HG12 ILE 84 -2.801 -0.885 6.108 694 HG13 ILE 84 HG13 ILE 84 -2.304 -2.444 6.756 695 HG21 ILE 84 HG21 ILE 84 -0.414 -1.305 8.963 696 HG22 ILE 84 HG22 ILE 84 1.017 -1.321 7.936 697 HG23 ILE 84 HG23 ILE 84 -0.111 -2.676 7.894 698 HD11 ILE 84 HD11 ILE 84 -4.016 -1.404 8.129 699 HD12 ILE 84 HD12 ILE 84 -2.977 -0.001 8.375 700 HD13 ILE 84 HD13 ILE 84 -2.504 -1.573 9.019 701 H TYR 85 H TYR 85 1.117 0.661 5.216 702 HA TYR 85 HA TYR 85 3.318 0.786 7.025 703 HB2 TYR 85 HB2 TYR 85 4.689 0.424 5.210 704 HB3 TYR 85 HB3 TYR 85 3.196 -0.296 4.652 705 HD1 TYR 85 HD2 TYR 85 5.387 2.670 4.343 706 HD2 TYR 85 HD1 TYR 85 2.107 0.517 2.697 707 HE1 TYR 85 HE2 TYR 85 5.493 4.065 2.325 708 HE2 TYR 85 HE1 TYR 85 2.214 1.904 0.669 709 HH TYR 85 HH TYR 85 4.824 3.992 -0.006 710 H VAL 86 H VAL 86 1.571 3.108 5.063 711 HA VAL 86 HA VAL 86 3.321 5.298 5.424 712 HB VAL 86 HB VAL 86 0.322 5.253 5.017 713 HG11 VAL 86 HG11 VAL 86 1.012 7.359 6.050 714 HG12 VAL 86 HG12 VAL 86 0.517 7.604 4.378 715 HG13 VAL 86 HG13 VAL 86 2.230 7.582 4.794 716 HG21 VAL 86 HG21 VAL 86 0.873 5.840 2.699 717 HG22 VAL 86 HG22 VAL 86 1.571 4.289 3.164 718 HG23 VAL 86 HG23 VAL 86 2.590 5.725 3.085 719 H SER 87 H SER 87 0.448 4.248 7.207 720 HA SER 87 HA SER 87 0.497 6.134 9.250 721 HB2 SER 87 HB2 SER 87 -0.654 3.435 8.826 722 HB3 SER 87 HB3 SER 87 -0.576 3.992 10.500 723 HG SER 87 HG SER 87 -1.558 6.023 9.445 724 H ALA 88 H ALA 88 2.207 3.043 8.954 725 HA ALA 88 HA ALA 88 3.348 3.031 11.536 726 HB1 ALA 88 HB1 ALA 88 4.892 1.373 10.662 727 HB2 ALA 88 HB2 ALA 88 4.434 1.789 9.011 728 HB3 ALA 88 HB3 ALA 88 3.256 1.048 10.093 729 H ALA 89 H ALA 89 4.334 4.523 8.515 730 HA ALA 89 HA ALA 89 6.892 5.381 9.486 731 HB1 ALA 89 HB1 ALA 89 6.472 5.052 7.096 732 HB2 ALA 89 HB2 ALA 89 7.015 6.695 7.444 733 HB3 ALA 89 HB3 ALA 89 5.309 6.379 7.125 734 H ILE 90 H ILE 90 3.667 6.644 9.566 735 HA ILE 90 HA ILE 90 4.416 9.322 10.100 736 HB ILE 90 HB ILE 90 1.815 7.890 10.661 737 HG12 ILE 90 HG12 ILE 90 2.622 9.816 8.467 738 HG13 ILE 90 HG13 ILE 90 2.428 8.077 8.279 739 HG21 ILE 90 HG21 ILE 90 2.424 10.844 10.795 740 HG22 ILE 90 HG22 ILE 90 2.043 9.796 12.161 741 HG23 ILE 90 HG23 ILE 90 0.822 10.121 10.931 742 HD11 ILE 90 HD11 ILE 90 0.510 9.295 7.416 743 HD12 ILE 90 HD12 ILE 90 0.248 10.017 9.004 744 HD13 ILE 90 HD13 ILE 90 0.059 8.276 8.785 745 H LYS 91 H LYS 91 3.619 6.558 12.195 746 HA LYS 91 HA LYS 91 3.669 8.037 14.605 747 HB2 LYS 91 HB2 LYS 91 3.852 5.887 15.759 748 HB3 LYS 91 HB3 LYS 91 2.628 5.828 14.500 749 HG2 LYS 91 HG2 LYS 91 3.958 4.500 13.111 750 HG3 LYS 91 HG3 LYS 91 5.421 4.851 14.030 751 HD2 LYS 91 HD2 LYS 91 4.660 2.601 14.498 752 HD3 LYS 91 HD3 LYS 91 4.502 3.604 15.940 753 HE2 LYS 91 HE2 LYS 91 2.111 3.888 15.463 754 HE3 LYS 91 HE3 LYS 91 2.279 2.868 14.032 755 HZ1 LYS 91 HZ1 LYS 91 1.413 1.645 15.949 756 HZ2 LYS 91 HZ2 LYS 91 2.820 2.005 16.828 757 HZ3 LYS 91 HZ3 LYS 91 2.912 1.023 15.445 758 H LYS 92 H LYS 92 6.208 6.492 12.729 759 HA LYS 92 HA LYS 92 8.156 6.961 14.837 760 HB2 LYS 92 HB2 LYS 92 8.548 5.778 12.084 761 HB3 LYS 92 HB3 LYS 92 9.740 5.800 13.381 762 HG2 LYS 92 HG2 LYS 92 8.027 4.517 14.754 763 HG3 LYS 92 HG3 LYS 92 7.166 4.272 13.236 764 HD2 LYS 92 HD2 LYS 92 9.155 3.197 12.289 765 HD3 LYS 92 HD3 LYS 92 10.001 3.427 13.823 766 HE2 LYS 92 HE2 LYS 92 8.114 2.129 14.897 767 HE3 LYS 92 HE3 LYS 92 7.593 1.713 13.268 768 HZ1 LYS 92 HZ1 LYS 92 8.934 -0.040 14.112 769 HZ2 LYS 92 HZ2 LYS 92 10.181 1.023 14.542 770 HZ3 LYS 92 HZ3 LYS 92 9.833 0.746 12.905 771 H GLY 93 H GLY 93 6.778 8.773 12.478 772 HA2 GLY 93 HA2 GLY 93 7.201 11.008 12.078 773 HA3 GLY 93 HA3 GLY 93 8.715 10.846 12.948 774 H TYR 94 H TYR 94 8.242 8.572 10.439 775 HA TYR 94 HA TYR 94 10.256 9.868 8.808 776 HB2 TYR 94 HB2 TYR 94 10.048 7.329 9.201 777 HB3 TYR 94 HB3 TYR 94 8.708 7.384 8.059 778 HD1 TYR 94 HD2 TYR 94 12.336 7.932 8.447 779 HD2 TYR 94 HD1 TYR 94 9.104 7.571 5.706 780 HE1 TYR 94 HE2 TYR 94 13.938 7.781 6.591 781 HE2 TYR 94 HE1 TYR 94 10.700 7.417 3.839 782 HH TYR 94 HH TYR 94 13.050 8.104 3.354 783 H MET 95 H MET 95 6.834 9.311 8.872 784 HA MET 95 HA MET 95 6.510 11.065 6.524 785 HB2 MET 95 HB2 MET 95 5.379 8.635 6.853 786 HB3 MET 95 HB3 MET 95 4.175 9.623 7.668 787 HG2 MET 95 HG2 MET 95 5.085 9.822 4.811 788 HG3 MET 95 HG3 MET 95 3.498 9.339 5.404 789 HE1 MET 95 HE1 MET 95 2.637 12.697 3.660 790 HE2 MET 95 HE2 MET 95 2.194 11.002 3.866 791 HE3 MET 95 HE3 MET 95 3.736 11.426 3.121 792 H GLU 96 H GLU 96 5.733 13.062 6.912 793 HA GLU 96 HA GLU 96 5.677 13.820 9.687 794 HB2 GLU 96 HB2 GLU 96 5.618 15.415 7.137 795 HB3 GLU 96 HB3 GLU 96 5.567 16.146 8.736 796 HG2 GLU 96 HG2 GLU 96 7.717 14.992 9.251 797 HG3 GLU 96 HG3 GLU 96 7.774 14.464 7.571 798 H ASN 97 H ASN 97 3.318 13.665 7.071 799 HA ASN 97 HA ASN 97 1.298 14.623 8.955 800 HB2 ASN 97 HB2 ASN 97 2.147 16.576 7.657 801 HB3 ASN 97 HB3 ASN 97 1.616 15.779 6.180 802 HD21 ASN 97 HD21 ASN 97 0.252 17.488 5.717 803 HD22 ASN 97 HD22 ASN 97 -1.249 17.703 6.543 804 H ASP 98 H ASP 98 -0.803 13.970 8.507 805 HA ASP 98 HA ASP 98 -0.965 11.474 7.097 806 HB2 ASP 98 HB2 ASP 98 -2.360 12.673 9.201 807 HB3 ASP 98 HB3 ASP 98 -3.527 12.589 7.888 808 HA PRO 99 HA PRO 99 -3.019 13.232 3.517 809 HB2 PRO 99 HB2 PRO 99 -2.948 10.943 2.045 810 HB3 PRO 99 HB3 PRO 99 -1.563 12.019 2.229 811 HG2 PRO 99 HG2 PRO 99 -1.964 9.342 3.304 812 HG3 PRO 99 HG3 PRO 99 -0.479 10.302 3.228 813 HD2 PRO 99 HD2 PRO 99 -2.288 9.891 5.475 814 HD3 PRO 99 HD3 PRO 99 -0.679 10.639 5.459 815 H PHE 100 H PHE 100 -3.943 10.449 5.389 816 HA PHE 100 HA PHE 100 -6.427 10.048 3.961 817 HB2 PHE 100 HB2 PHE 100 -5.250 8.678 6.385 818 HB3 PHE 100 HB3 PHE 100 -6.787 8.232 5.646 819 HD1 PHE 100 HD2 PHE 100 -6.842 7.262 3.395 820 HD2 PHE 100 HD1 PHE 100 -3.168 8.066 5.380 821 HE1 PHE 100 HE2 PHE 100 -5.664 5.825 1.783 822 HE2 PHE 100 HE1 PHE 100 -1.979 6.632 3.770 823 HZ PHE 100 HZ PHE 100 -3.229 5.513 1.969 824 H LYS 101 H LYS 101 -5.321 11.898 6.581 825 HA LYS 101 HA LYS 101 -7.703 12.151 8.048 826 HB2 LYS 101 HB2 LYS 101 -5.561 12.862 8.944 827 HB3 LYS 101 HB3 LYS 101 -5.364 14.032 7.649 828 HG2 LYS 101 HG2 LYS 101 -7.753 14.290 9.378 829 HG3 LYS 101 HG3 LYS 101 -6.183 14.714 10.066 830 HD2 LYS 101 HD2 LYS 101 -7.199 15.795 7.445 831 HD3 LYS 101 HD3 LYS 101 -7.438 16.601 8.987 832 HE2 LYS 101 HE2 LYS 101 -5.001 16.686 9.305 833 HE3 LYS 101 HE3 LYS 101 -4.786 15.911 7.737 834 HZ1 LYS 101 HZ1 LYS 101 -6.093 18.545 8.181 835 HZ2 LYS 101 HZ2 LYS 101 -5.826 17.800 6.676 836 HZ3 LYS 101 HZ3 LYS 101 -4.512 18.318 7.613 837 H ASP 102 H ASP 102 -6.411 13.802 5.212 838 HA ASP 102 HA ASP 102 -8.782 15.428 4.923 839 HB2 ASP 102 HB2 ASP 102 -6.167 15.222 3.518 840 HB3 ASP 102 HB3 ASP 102 -7.532 15.881 2.625 841 H PHE 103 H PHE 103 -7.436 12.512 3.686 842 HA PHE 103 HA PHE 103 -9.059 12.130 1.427 843 HB2 PHE 103 HB2 PHE 103 -7.043 10.774 1.966 844 HB3 PHE 103 HB3 PHE 103 -7.933 10.014 3.278 845 HD1 PHE 103 HD1 PHE 103 -8.095 10.567 -0.400 846 HD2 PHE 103 HD2 PHE 103 -9.055 8.035 2.885 847 HE1 PHE 103 HE1 PHE 103 -8.894 8.845 -1.966 848 HE2 PHE 103 HE2 PHE 103 -9.858 6.310 1.324 849 HZ PHE 103 HZ PHE 103 -9.777 6.713 -1.105 850 H GLY 104 H GLY 104 -9.556 11.400 4.848 851 HA2 GLY 104 HA2 GLY 104 -12.181 10.328 4.502 852 HA3 GLY 104 HA3 GLY 104 -11.491 10.931 6.005 853 H LEU 105 H LEU 105 -11.278 13.355 6.122 854 HA LEU 105 HA LEU 105 -12.642 15.134 4.476 855 HB2 LEU 105 HB2 LEU 105 -14.669 13.914 5.236 856 HB3 LEU 105 HB3 LEU 105 -14.269 14.316 6.894 857 HG LEU 105 HG LEU 105 -14.520 16.721 6.340 858 HD11 LEU 105 HD11 LEU 105 -15.575 17.367 4.246 859 HD12 LEU 105 HD12 LEU 105 -15.540 15.692 3.695 860 HD13 LEU 105 HD13 LEU 105 -14.031 16.570 3.947 861 HD21 LEU 105 HD21 LEU 105 -16.907 14.983 5.732 862 HD22 LEU 105 HD22 LEU 105 -16.966 16.687 6.187 863 HD23 LEU 105 HD23 LEU 105 -16.362 15.488 7.331 864 H GLU 106 H GLU 106 -12.252 17.236 5.141 865 HA GLU 106 HA GLU 106 -10.468 17.602 7.367 866 HB2 GLU 106 HB2 GLU 106 -10.657 18.877 5.040 867 HB3 GLU 106 HB3 GLU 106 -11.754 19.904 5.949 868 HG2 GLU 106 HG2 GLU 106 -8.919 19.316 6.764 869 HG3 GLU 106 HG3 GLU 106 -9.413 20.725 5.833 870 H HIS 107 H HIS 107 -11.607 17.084 9.210 871 HA HIS 107 HA HIS 107 -14.243 18.178 9.668 872 HB2 HIS 107 HB2 HIS 107 -13.737 15.873 10.354 873 HB3 HIS 107 HB3 HIS 107 -12.486 16.463 11.442 874 HD1 HIS 107 HD1 HIS 107 -13.277 16.303 13.769 875 HD2 HIS 107 HD2 HIS 107 -16.341 17.391 11.170 876 HE1 HIS 107 HE1 HIS 107 -15.311 16.631 15.212 877 HE2 HIS 107 HE2 HIS 107 -17.065 17.536 13.650 878 H HIS 108 H HIS 108 -14.517 20.138 10.389 879 HA HIS 108 HA HIS 108 -12.418 21.647 11.609 880 HB2 HIS 108 HB2 HIS 108 -15.322 22.232 11.073 881 HB3 HIS 108 HB3 HIS 108 -14.291 23.361 11.945 882 HD1 HIS 108 HD1 HIS 108 -13.129 25.019 10.550 883 HD2 HIS 108 HD2 HIS 108 -14.186 21.636 8.377 884 HE1 HIS 108 HE1 HIS 108 -12.497 25.519 8.165 885 HE2 HIS 108 HE2 HIS 108 -12.915 23.364 6.930 886 H HIS 109 H HIS 109 -12.090 20.066 13.349 887 HA HIS 109 HA HIS 109 -13.897 20.221 15.602 888 HB2 HIS 109 HB2 HIS 109 -12.589 18.187 15.269 889 HB3 HIS 109 HB3 HIS 109 -11.092 19.106 15.324 890 HD1 HIS 109 HD1 HIS 109 -9.957 19.163 17.522 891 HD2 HIS 109 HD2 HIS 109 -14.013 18.287 17.886 892 HE1 HIS 109 HE1 HIS 109 -10.331 18.661 19.959 893 HE2 HIS 109 HE2 HIS 109 -12.748 17.973 20.129 894 H HIS 110 H HIS 110 -14.063 22.151 16.571 895 HA HIS 110 HA HIS 110 -13.519 24.098 17.630 896 HB2 HIS 110 HB2 HIS 110 -11.882 22.300 18.712 897 HB3 HIS 110 HB3 HIS 110 -10.655 23.240 17.876 898 HD1 HIS 110 HD1 HIS 110 -13.590 24.047 20.188 899 HD2 HIS 110 HD2 HIS 110 -9.619 25.097 19.521 900 HE1 HIS 110 HE1 HIS 110 -13.005 25.689 22.004 901 HE2 HIS 110 HE2 HIS 110 -10.549 26.151 21.694 902 H HIS 111 H HIS 111 -10.643 25.196 17.367 903 HA HIS 111 HA HIS 111 -9.294 26.323 15.929 904 HB2 HIS 111 HB2 HIS 111 -10.710 24.726 13.780 905 HB3 HIS 111 HB3 HIS 111 -9.287 25.725 13.519 906 HD1 HIS 111 HD1 HIS 111 -9.064 22.809 12.777 907 HD2 HIS 111 HD2 HIS 111 -8.174 24.240 16.587 908 HE1 HIS 111 HE1 HIS 111 -7.532 21.104 13.808 909 HE2 HIS 111 HE2 HIS 111 -7.028 21.964 16.124 910 H HIS 112 H HIS 112 -12.248 27.036 16.513 911 HA HIS 112 HA HIS 112 -12.485 29.124 14.451 912 HB2 HIS 112 HB2 HIS 112 -14.418 27.608 14.487 913 HB3 HIS 112 HB3 HIS 112 -14.647 27.923 16.204 914 HD1 HIS 112 HD1 HIS 112 -16.048 29.904 16.831 915 HD2 HIS 112 HD2 HIS 112 -14.978 29.910 12.811 916 HE1 HIS 112 HE1 HIS 112 -17.362 31.778 15.780 917 HE2 HIS 112 HE2 HIS 112 -16.557 31.874 13.390 Start of MODEL 19 1 H1 MET 1 H1 MET 1 25.739 -9.534 5.063 2 H2 MET 1 H2 MET 1 24.185 -9.502 5.738 3 H3 MET 1 H3 MET 1 25.268 -10.737 6.163 4 HA MET 1 HA MET 1 25.075 -9.097 7.914 5 HB2 MET 1 HB2 MET 1 27.171 -10.258 7.780 6 HB3 MET 1 HB3 MET 1 27.720 -9.236 6.457 7 HG2 MET 1 HG2 MET 1 28.805 -8.655 8.558 8 HG3 MET 1 HG3 MET 1 27.824 -7.326 7.944 9 HE1 MET 1 HE1 MET 1 28.889 -7.260 10.850 10 HE2 MET 1 HE2 MET 1 27.454 -6.808 11.771 11 HE3 MET 1 HE3 MET 1 27.786 -6.040 10.219 12 H ASN 2 H ASN 2 26.607 -7.697 5.017 13 HA ASN 2 HA ASN 2 26.197 -5.021 6.052 14 HB2 ASN 2 HB2 ASN 2 27.337 -5.947 3.403 15 HB3 ASN 2 HB3 ASN 2 27.382 -4.299 4.023 16 HD21 ASN 2 HD21 ASN 2 28.779 -3.787 5.707 17 HD22 ASN 2 HD22 ASN 2 30.073 -4.837 6.188 18 H ASN 3 H ASN 3 25.092 -3.380 4.746 19 HA ASN 3 HA ASN 3 23.092 -2.587 4.025 20 HB2 ASN 3 HB2 ASN 3 23.942 -3.479 1.854 21 HB3 ASN 3 HB3 ASN 3 23.124 -5.000 2.188 22 HD21 ASN 3 HD21 ASN 3 20.884 -5.102 2.041 23 HD22 ASN 3 HD22 ASN 3 19.957 -3.871 1.258 24 HA PRO 4 HA PRO 4 20.978 -5.504 6.921 25 HB2 PRO 4 HB2 PRO 4 19.878 -2.971 7.957 26 HB3 PRO 4 HB3 PRO 4 20.712 -4.268 8.818 27 HG2 PRO 4 HG2 PRO 4 21.891 -1.905 8.377 28 HG3 PRO 4 HG3 PRO 4 22.810 -3.421 8.335 29 HD2 PRO 4 HD2 PRO 4 21.780 -1.765 6.062 30 HD3 PRO 4 HD3 PRO 4 23.347 -2.585 6.237 31 H SER 5 H SER 5 19.494 -2.511 5.679 32 HA SER 5 HA SER 5 16.944 -3.859 5.394 33 HB2 SER 5 HB2 SER 5 17.739 -1.009 4.727 34 HB3 SER 5 HB3 SER 5 16.093 -1.644 4.756 35 HG SER 5 HG SER 5 17.417 -0.608 6.765 36 H ASP 6 H ASP 6 16.687 -5.125 3.685 37 HA ASP 6 HA ASP 6 18.103 -4.639 1.208 38 HB2 ASP 6 HB2 ASP 6 17.642 -6.922 2.327 39 HB3 ASP 6 HB3 ASP 6 16.037 -6.778 1.627 40 H PHE 7 H PHE 7 15.606 -3.205 2.427 41 HA PHE 7 HA PHE 7 14.073 -3.154 -0.071 42 HB2 PHE 7 HB2 PHE 7 12.204 -2.277 1.564 43 HB3 PHE 7 HB3 PHE 7 12.487 -3.994 1.340 44 HD1 PHE 7 HD2 PHE 7 13.731 -5.266 3.081 45 HD2 PHE 7 HD1 PHE 7 12.546 -1.222 3.656 46 HE1 PHE 7 HE2 PHE 7 14.047 -5.524 5.506 47 HE2 PHE 7 HE1 PHE 7 12.860 -1.473 6.082 48 HZ PHE 7 HZ PHE 7 13.609 -3.625 7.010 49 H LYS 8 H LYS 8 14.713 -1.439 -1.124 50 HA LYS 8 HA LYS 8 14.956 1.139 0.213 51 HB2 LYS 8 HB2 LYS 8 15.403 0.239 -2.638 52 HB3 LYS 8 HB3 LYS 8 15.579 1.897 -2.098 53 HG2 LYS 8 HG2 LYS 8 17.145 -0.405 -0.973 54 HG3 LYS 8 HG3 LYS 8 17.708 0.623 -2.291 55 HD2 LYS 8 HD2 LYS 8 17.637 2.568 -0.859 56 HD3 LYS 8 HD3 LYS 8 16.940 1.611 0.451 57 HE2 LYS 8 HE2 LYS 8 18.945 0.333 0.678 58 HE3 LYS 8 HE3 LYS 8 19.627 1.047 -0.782 59 HZ1 LYS 8 HZ1 LYS 8 20.501 1.984 1.327 60 HZ2 LYS 8 HZ2 LYS 8 18.959 2.613 1.649 61 HZ3 LYS 8 HZ3 LYS 8 19.823 3.136 0.288 62 H SER 9 H SER 9 12.670 -0.784 -1.307 63 HA SER 9 HA SER 9 11.200 1.475 -2.455 64 HB2 SER 9 HB2 SER 9 10.757 -1.482 -2.883 65 HB3 SER 9 HB3 SER 9 10.058 -0.158 -3.816 66 HG SER 9 HG SER 9 12.299 0.417 -4.330 67 H PHE 10 H PHE 10 9.087 1.904 -1.935 68 HA PHE 10 HA PHE 10 8.138 1.367 0.614 69 HB2 PHE 10 HB2 PHE 10 5.983 2.232 -0.144 70 HB3 PHE 10 HB3 PHE 10 7.289 3.211 -0.781 71 HD1 PHE 10 HD1 PHE 10 7.974 2.883 -3.194 72 HD2 PHE 10 HD2 PHE 10 4.414 1.223 -1.556 73 HE1 PHE 10 HE1 PHE 10 7.062 2.605 -5.465 74 HE2 PHE 10 HE2 PHE 10 3.499 0.940 -3.820 75 HZ PHE 10 HZ PHE 10 4.822 1.629 -5.778 76 H HIS 11 H HIS 11 7.459 -0.339 -2.414 77 HA HIS 11 HA HIS 11 5.493 -2.038 -1.318 78 HB2 HIS 11 HB2 HIS 11 5.978 -3.500 -3.351 79 HB3 HIS 11 HB3 HIS 11 5.402 -1.869 -3.647 80 HD1 HIS 11 HD1 HIS 11 8.712 -3.803 -3.683 81 HD2 HIS 11 HD2 HIS 11 6.911 -0.453 -5.386 82 HE1 HIS 11 HE1 HIS 11 10.288 -3.009 -5.464 83 HE2 HIS 11 HE2 HIS 11 9.086 -1.126 -6.612 84 H ASP 12 H ASP 12 8.972 -2.268 -1.465 85 HA ASP 12 HA ASP 12 8.990 -5.014 -0.598 86 HB2 ASP 12 HB2 ASP 12 11.076 -2.985 -1.242 87 HB3 ASP 12 HB3 ASP 12 11.530 -4.366 -0.245 88 H PHE 13 H PHE 13 9.380 -1.841 0.880 89 HA PHE 13 HA PHE 13 10.110 -2.679 3.452 90 HB2 PHE 13 HB2 PHE 13 10.130 -0.311 2.774 91 HB3 PHE 13 HB3 PHE 13 8.373 -0.323 2.658 92 HD1 PHE 13 HD1 PHE 13 11.242 -0.301 4.926 93 HD2 PHE 13 HD2 PHE 13 6.992 -0.297 4.652 94 HE1 PHE 13 HE1 PHE 13 11.090 0.350 7.293 95 HE2 PHE 13 HE2 PHE 13 6.837 0.356 7.017 96 HZ PHE 13 HZ PHE 13 8.887 0.683 8.342 97 H VAL 14 H VAL 14 6.903 -2.112 2.041 98 HA VAL 14 HA VAL 14 5.372 -2.893 4.241 99 HB VAL 14 HB VAL 14 4.699 -3.167 1.305 100 HG11 VAL 14 HG11 VAL 14 2.889 -3.217 3.722 101 HG12 VAL 14 HG12 VAL 14 3.255 -4.582 2.668 102 HG13 VAL 14 HG13 VAL 14 2.357 -3.200 2.040 103 HG21 VAL 14 HG21 VAL 14 3.472 -1.069 1.633 104 HG22 VAL 14 HG22 VAL 14 5.199 -0.879 1.940 105 HG23 VAL 14 HG23 VAL 14 4.071 -0.989 3.291 106 H ALA 15 H ALA 15 6.641 -4.812 1.539 107 HA ALA 15 HA ALA 15 5.450 -7.253 2.226 108 HB1 ALA 15 HB1 ALA 15 6.447 -6.824 0.040 109 HB2 ALA 15 HB2 ALA 15 7.126 -8.278 0.774 110 HB3 ALA 15 HB3 ALA 15 8.048 -6.774 0.773 111 H SER 16 H SER 16 8.552 -5.827 3.201 112 HA SER 16 HA SER 16 9.495 -8.108 4.576 113 HB2 SER 16 HB2 SER 16 10.309 -5.341 4.115 114 HB3 SER 16 HB3 SER 16 10.745 -5.932 5.709 115 HG SER 16 HG SER 16 11.262 -7.448 3.388 116 H TYR 17 H TYR 17 7.849 -5.144 5.632 117 HA TYR 17 HA TYR 17 7.731 -5.793 8.379 118 HB2 TYR 17 HB2 TYR 17 7.336 -3.525 7.489 119 HB3 TYR 17 HB3 TYR 17 5.862 -4.087 6.715 120 HD1 TYR 17 HD1 TYR 17 7.455 -3.367 9.967 121 HD2 TYR 17 HD2 TYR 17 3.827 -4.293 7.946 122 HE1 TYR 17 HE1 TYR 17 6.183 -2.767 11.984 123 HE2 TYR 17 HE2 TYR 17 2.547 -3.699 9.959 124 HH TYR 17 HH TYR 17 2.873 -3.510 12.362 125 H MET 18 H MET 18 5.753 -6.572 5.623 126 HA MET 18 HA MET 18 3.569 -7.652 7.073 127 HB2 MET 18 HB2 MET 18 3.491 -6.784 4.706 128 HB3 MET 18 HB3 MET 18 4.301 -8.264 4.211 129 HG2 MET 18 HG2 MET 18 2.466 -9.593 4.760 130 HG3 MET 18 HG3 MET 18 1.740 -8.336 5.761 131 HE1 MET 18 HE1 MET 18 2.005 -5.750 3.961 132 HE2 MET 18 HE2 MET 18 0.511 -6.180 4.794 133 HE3 MET 18 HE3 MET 18 0.478 -5.771 3.080 134 H LYS 19 H LYS 19 6.617 -8.973 5.981 135 HA LYS 19 HA LYS 19 6.138 -11.689 6.053 136 HB2 LYS 19 HB2 LYS 19 8.529 -10.111 6.970 137 HB3 LYS 19 HB3 LYS 19 8.508 -11.867 7.001 138 HG2 LYS 19 HG2 LYS 19 8.166 -10.136 4.560 139 HG3 LYS 19 HG3 LYS 19 9.615 -11.040 5.007 140 HD2 LYS 19 HD2 LYS 19 8.211 -13.122 4.936 141 HD3 LYS 19 HD3 LYS 19 6.919 -12.144 4.241 142 HE2 LYS 19 HE2 LYS 19 8.093 -13.222 2.452 143 HE3 LYS 19 HE3 LYS 19 8.472 -11.501 2.410 144 HZ1 LYS 19 HZ1 LYS 19 10.426 -12.931 2.078 145 HZ2 LYS 19 HZ2 LYS 19 10.212 -13.574 3.637 146 HZ3 LYS 19 HZ3 LYS 19 10.580 -11.931 3.442 147 H THR 20 H THR 20 6.912 -9.606 8.847 148 HA THR 20 HA THR 20 6.591 -11.677 10.767 149 HB THR 20 HB THR 20 6.366 -8.687 11.191 150 HG1 THR 20 HG1 THR 20 8.535 -8.658 11.275 151 HG21 THR 20 HG21 THR 20 5.556 -9.980 13.096 152 HG22 THR 20 HG22 THR 20 7.094 -9.213 13.485 153 HG23 THR 20 HG23 THR 20 7.040 -10.933 13.099 154 H TYR 21 H TYR 21 4.456 -9.330 9.305 155 HA TYR 21 HA TYR 21 2.200 -9.717 10.972 156 HB2 TYR 21 HB2 TYR 21 2.430 -7.755 9.562 157 HB3 TYR 21 HB3 TYR 21 2.464 -8.752 8.116 158 HD1 TYR 21 HD1 TYR 21 0.237 -7.928 11.005 159 HD2 TYR 21 HD2 TYR 21 0.517 -9.038 6.905 160 HE1 TYR 21 HE1 TYR 21 -2.191 -7.632 10.761 161 HE2 TYR 21 HE2 TYR 21 -1.911 -8.744 6.652 162 HH TYR 21 HH TYR 21 -3.811 -7.148 8.929 163 H SER 22 H SER 22 3.498 -11.413 8.226 164 HA SER 22 HA SER 22 1.180 -12.908 7.560 165 HB2 SER 22 HB2 SER 22 3.038 -12.504 5.975 166 HB3 SER 22 HB3 SER 22 4.083 -13.526 6.961 167 HG SER 22 HG SER 22 1.990 -14.990 6.524 168 H ARG 23 H ARG 23 3.460 -13.189 10.095 169 HA ARG 23 HA ARG 23 3.283 -15.950 10.624 170 HB2 ARG 23 HB2 ARG 23 4.844 -14.286 11.739 171 HB3 ARG 23 HB3 ARG 23 3.471 -13.766 12.706 172 HG2 ARG 23 HG2 ARG 23 3.243 -16.072 13.553 173 HG3 ARG 23 HG3 ARG 23 4.697 -16.511 12.657 174 HD2 ARG 23 HD2 ARG 23 6.038 -15.039 13.957 175 HD3 ARG 23 HD3 ARG 23 4.620 -14.300 14.701 176 HE ARG 23 HE ARG 23 4.986 -17.152 15.161 177 HH11 ARG 23 HH11 ARG 23 5.452 -13.898 16.358 178 HH12 ARG 23 HH12 ARG 23 5.539 -14.381 18.028 179 HH21 ARG 23 HH21 ARG 23 5.127 -17.807 17.321 180 HH22 ARG 23 HH22 ARG 23 5.352 -16.626 18.579 181 H ARG 24 H ARG 24 1.158 -13.264 11.185 182 HA ARG 24 HA ARG 24 -0.746 -14.992 12.615 183 HB2 ARG 24 HB2 ARG 24 -0.723 -11.978 12.351 184 HB3 ARG 24 HB3 ARG 24 -1.827 -12.923 13.339 185 HG2 ARG 24 HG2 ARG 24 -0.002 -13.618 14.773 186 HG3 ARG 24 HG3 ARG 24 1.156 -12.773 13.743 187 HD2 ARG 24 HD2 ARG 24 -0.028 -10.650 14.235 188 HD3 ARG 24 HD3 ARG 24 -1.071 -11.526 15.354 189 HE ARG 24 HE ARG 24 1.184 -12.097 16.484 190 HH11 ARG 24 HH11 ARG 24 0.444 -9.088 14.838 191 HH12 ARG 24 HH12 ARG 24 1.452 -8.122 15.876 192 HH21 ARG 24 HH21 ARG 24 2.501 -10.821 17.855 193 HH22 ARG 24 HH22 ARG 24 2.618 -9.106 17.594 194 H LEU 25 H LEU 25 -0.106 -14.573 9.606 195 HA LEU 25 HA LEU 25 -2.872 -14.048 8.742 196 HB2 LEU 25 HB2 LEU 25 -1.057 -12.274 8.185 197 HB3 LEU 25 HB3 LEU 25 -0.475 -13.448 7.029 198 HG LEU 25 HG LEU 25 -2.740 -13.416 5.969 199 HD11 LEU 25 HD11 LEU 25 -4.219 -11.539 6.489 200 HD12 LEU 25 HD12 LEU 25 -3.155 -11.067 7.815 201 HD13 LEU 25 HD13 LEU 25 -4.017 -12.605 7.880 202 HD21 LEU 25 HD21 LEU 25 -0.900 -12.150 5.028 203 HD22 LEU 25 HD22 LEU 25 -1.239 -10.807 6.121 204 HD23 LEU 25 HD23 LEU 25 -2.405 -11.243 4.871 205 H GLU 26 H GLU 26 -3.717 -15.489 7.270 206 HA GLU 26 HA GLU 26 -2.407 -17.946 6.773 207 HB2 GLU 26 HB2 GLU 26 -4.972 -16.990 6.628 208 HB3 GLU 26 HB3 GLU 26 -4.554 -17.191 4.936 209 HG2 GLU 26 HG2 GLU 26 -4.395 -19.315 7.055 210 HG3 GLU 26 HG3 GLU 26 -5.661 -19.133 5.850 211 H ILE 27 H ILE 27 -1.754 -18.784 4.738 212 HA ILE 27 HA ILE 27 -0.161 -17.038 3.177 213 HB ILE 27 HB ILE 27 -1.072 -19.846 2.511 214 HG12 ILE 27 HG12 ILE 27 1.455 -18.888 3.877 215 HG13 ILE 27 HG13 ILE 27 0.108 -19.693 4.675 216 HG21 ILE 27 HG21 ILE 27 -0.228 -18.649 0.559 217 HG22 ILE 27 HG22 ILE 27 0.892 -19.919 1.053 218 HG23 ILE 27 HG23 ILE 27 1.244 -18.236 1.440 219 HD11 ILE 27 HD11 ILE 27 1.924 -21.238 4.282 220 HD12 ILE 27 HD12 ILE 27 1.881 -20.882 2.556 221 HD13 ILE 27 HD13 ILE 27 0.515 -21.693 3.323 222 H GLY 28 H GLY 28 -3.384 -18.378 2.820 223 HA2 GLY 28 HA2 GLY 28 -3.903 -17.803 0.144 224 HA3 GLY 28 HA3 GLY 28 -5.113 -17.835 1.416 225 H THR 29 H THR 29 -4.808 -15.755 2.928 226 HA THR 29 HA THR 29 -5.536 -13.564 1.309 227 HB THR 29 HB THR 29 -6.512 -13.604 3.449 228 HG1 THR 29 HG1 THR 29 -6.146 -11.564 4.056 229 HG21 THR 29 HG21 THR 29 -3.735 -13.718 4.615 230 HG22 THR 29 HG22 THR 29 -4.935 -15.010 4.620 231 HG23 THR 29 HG23 THR 29 -5.219 -13.537 5.547 232 H PHE 30 H PHE 30 -2.529 -14.289 3.102 233 HA PHE 30 HA PHE 30 -1.091 -12.004 2.596 234 HB2 PHE 30 HB2 PHE 30 -0.246 -13.845 3.969 235 HB3 PHE 30 HB3 PHE 30 -0.070 -14.853 2.536 236 HD1 PHE 30 HD1 PHE 30 1.094 -11.637 4.001 237 HD2 PHE 30 HD2 PHE 30 1.944 -14.893 1.393 238 HE1 PHE 30 HE1 PHE 30 3.383 -10.786 3.688 239 HE2 PHE 30 HE2 PHE 30 4.234 -14.047 1.077 240 HZ PHE 30 HZ PHE 30 4.955 -11.991 2.226 241 H ARG 31 H ARG 31 -1.286 -14.864 0.446 242 HA ARG 31 HA ARG 31 0.402 -13.675 -1.526 243 HB2 ARG 31 HB2 ARG 31 0.009 -15.607 -2.849 244 HB3 ARG 31 HB3 ARG 31 0.089 -16.152 -1.182 245 HG2 ARG 31 HG2 ARG 31 -2.363 -16.231 -1.108 246 HG3 ARG 31 HG3 ARG 31 -2.413 -15.737 -2.801 247 HD2 ARG 31 HD2 ARG 31 -1.041 -17.758 -3.340 248 HD3 ARG 31 HD3 ARG 31 -1.248 -18.275 -1.668 249 HE ARG 31 HE ARG 31 -3.755 -17.714 -2.887 250 HH11 ARG 31 HH11 ARG 31 -1.227 -20.138 -2.757 251 HH12 ARG 31 HH12 ARG 31 -2.293 -21.444 -3.166 252 HH21 ARG 31 HH21 ARG 31 -5.137 -19.406 -3.462 253 HH22 ARG 31 HH22 ARG 31 -4.512 -21.025 -3.594 254 H HIS 32 H HIS 32 -2.959 -13.440 -0.845 255 HA HIS 32 HA HIS 32 -3.912 -12.837 -3.448 256 HB2 HIS 32 HB2 HIS 32 -5.354 -13.470 -1.493 257 HB3 HIS 32 HB3 HIS 32 -5.052 -11.874 -0.813 258 HD1 HIS 32 HD1 HIS 32 -6.784 -10.183 -1.370 259 HD2 HIS 32 HD2 HIS 32 -6.586 -13.221 -4.210 260 HE1 HIS 32 HE1 HIS 32 -8.627 -9.701 -3.015 261 HE2 HIS 32 HE2 HIS 32 -8.439 -11.503 -4.770 262 H HIS 33 H HIS 33 -2.214 -11.039 -1.057 263 HA HIS 33 HA HIS 33 -2.143 -8.743 -2.882 264 HB2 HIS 33 HB2 HIS 33 -2.026 -7.236 -0.865 265 HB3 HIS 33 HB3 HIS 33 -3.592 -7.991 -1.122 266 HD1 HIS 33 HD1 HIS 33 -0.482 -8.548 1.013 267 HD2 HIS 33 HD2 HIS 33 -4.590 -9.188 1.079 268 HE1 HIS 33 HE1 HIS 33 -0.991 -9.462 3.303 269 HE2 HIS 33 HE2 HIS 33 -3.452 -10.011 3.245 270 H LYS 34 H LYS 34 -0.408 -10.844 -2.834 271 HA LYS 34 HA LYS 34 1.808 -10.468 -1.088 272 HB2 LYS 34 HB2 LYS 34 1.250 -12.650 -2.020 273 HB3 LYS 34 HB3 LYS 34 1.542 -12.052 -3.644 274 HG2 LYS 34 HG2 LYS 34 3.913 -11.627 -2.960 275 HG3 LYS 34 HG3 LYS 34 3.553 -12.481 -1.458 276 HD2 LYS 34 HD2 LYS 34 3.014 -14.490 -2.664 277 HD3 LYS 34 HD3 LYS 34 3.160 -13.650 -4.210 278 HE2 LYS 34 HE2 LYS 34 5.551 -13.182 -3.599 279 HE3 LYS 34 HE3 LYS 34 5.343 -14.281 -2.240 280 HZ1 LYS 34 HZ1 LYS 34 4.842 -15.060 -5.063 281 HZ2 LYS 34 HZ2 LYS 34 4.947 -16.085 -3.709 282 HZ3 LYS 34 HZ3 LYS 34 6.330 -15.286 -4.279 283 H SER 35 H SER 35 1.778 -10.290 -4.664 284 HA SER 35 HA SER 35 4.062 -8.494 -4.485 285 HB2 SER 35 HB2 SER 35 4.116 -8.878 -7.011 286 HB3 SER 35 HB3 SER 35 4.433 -10.285 -5.995 287 HG SER 35 HG SER 35 2.967 -10.954 -7.496 288 H CYS 36 H CYS 36 1.305 -8.607 -6.714 289 HA CYS 36 HA CYS 36 0.159 -6.969 -7.796 290 HB2 CYS 36 HB2 CYS 36 0.004 -5.880 -4.984 291 HB3 CYS 36 HB3 CYS 36 -1.098 -5.493 -6.303 292 HG CYS 36 HG CYS 36 -2.757 -7.249 -5.402 293 H MET 37 H MET 37 1.339 -4.689 -5.391 294 HA MET 37 HA MET 37 2.034 -2.769 -7.377 295 HB2 MET 37 HB2 MET 37 2.878 -1.447 -5.430 296 HB3 MET 37 HB3 MET 37 1.218 -1.997 -5.255 297 HG2 MET 37 HG2 MET 37 1.981 -3.828 -3.819 298 HG3 MET 37 HG3 MET 37 3.641 -3.258 -3.983 299 HE1 MET 37 HE1 MET 37 3.844 -3.229 -1.318 300 HE2 MET 37 HE2 MET 37 2.173 -3.781 -1.187 301 HE3 MET 37 HE3 MET 37 2.712 -2.375 -0.268 302 H ARG 38 H ARG 38 3.772 -5.228 -5.666 303 HA ARG 38 HA ARG 38 6.416 -4.208 -6.173 304 HB2 ARG 38 HB2 ARG 38 5.533 -5.980 -4.433 305 HB3 ARG 38 HB3 ARG 38 5.827 -7.110 -5.736 306 HG2 ARG 38 HG2 ARG 38 8.164 -6.358 -5.847 307 HG3 ARG 38 HG3 ARG 38 7.863 -5.290 -4.477 308 HD2 ARG 38 HD2 ARG 38 7.193 -7.296 -3.156 309 HD3 ARG 38 HD3 ARG 38 7.711 -8.300 -4.509 310 HE ARG 38 HE ARG 38 9.668 -6.431 -3.402 311 HH11 ARG 38 HH11 ARG 38 8.494 -9.720 -3.651 312 HH12 ARG 38 HH12 ARG 38 9.948 -10.433 -3.022 313 HH21 ARG 38 HH21 ARG 38 11.579 -7.337 -2.561 314 HH22 ARG 38 HH22 ARG 38 11.705 -9.066 -2.393 315 H LYS 39 H LYS 39 4.104 -6.182 -7.758 316 HA LYS 39 HA LYS 39 5.912 -7.215 -9.748 317 HB2 LYS 39 HB2 LYS 39 4.318 -8.773 -9.313 318 HB3 LYS 39 HB3 LYS 39 3.074 -7.587 -8.976 319 HG2 LYS 39 HG2 LYS 39 3.937 -7.682 -11.774 320 HG3 LYS 39 HG3 LYS 39 3.154 -9.153 -11.180 321 HD2 LYS 39 HD2 LYS 39 1.155 -8.140 -10.909 322 HD3 LYS 39 HD3 LYS 39 1.880 -6.624 -10.378 323 HE2 LYS 39 HE2 LYS 39 0.855 -6.125 -12.407 324 HE3 LYS 39 HE3 LYS 39 2.563 -6.283 -12.793 325 HZ1 LYS 39 HZ1 LYS 39 0.551 -8.436 -13.186 326 HZ2 LYS 39 HZ2 LYS 39 2.177 -8.466 -13.670 327 HZ3 LYS 39 HZ3 LYS 39 1.092 -7.388 -14.404 328 H PHE 40 H PHE 40 3.442 -4.733 -9.505 329 HA PHE 40 HA PHE 40 3.461 -4.096 -12.287 330 HB2 PHE 40 HB2 PHE 40 1.559 -3.602 -10.751 331 HB3 PHE 40 HB3 PHE 40 2.556 -2.393 -9.952 332 HD1 PHE 40 HD2 PHE 40 2.162 -3.145 -13.571 333 HD2 PHE 40 HD1 PHE 40 1.556 -0.358 -10.410 334 HE1 PHE 40 HE2 PHE 40 1.424 -1.460 -15.202 335 HE2 PHE 40 HE1 PHE 40 0.815 1.329 -12.039 336 HZ PHE 40 HZ PHE 40 0.752 0.779 -14.435 337 H LYS 41 H LYS 41 5.354 -3.215 -9.531 338 HA LYS 41 HA LYS 41 7.045 -1.540 -11.225 339 HB2 LYS 41 HB2 LYS 41 5.543 -0.609 -8.857 340 HB3 LYS 41 HB3 LYS 41 7.240 -0.161 -8.889 341 HG2 LYS 41 HG2 LYS 41 6.145 1.642 -9.876 342 HG3 LYS 41 HG3 LYS 41 6.777 0.726 -11.242 343 HD2 LYS 41 HD2 LYS 41 4.578 -0.306 -11.554 344 HD3 LYS 41 HD3 LYS 41 3.954 0.623 -10.190 345 HE2 LYS 41 HE2 LYS 41 3.322 1.706 -12.241 346 HE3 LYS 41 HE3 LYS 41 4.504 2.704 -11.399 347 HZ1 LYS 41 HZ1 LYS 41 6.211 1.940 -12.893 348 HZ2 LYS 41 HZ2 LYS 41 4.910 2.537 -13.804 349 HZ3 LYS 41 HZ3 LYS 41 5.137 0.865 -13.650 350 H GLU 42 H GLU 42 8.709 -2.943 -11.235 351 HA GLU 42 HA GLU 42 9.745 -4.326 -9.001 352 HB2 GLU 42 HB2 GLU 42 11.281 -3.380 -11.431 353 HB3 GLU 42 HB3 GLU 42 11.708 -4.709 -10.364 354 HG2 GLU 42 HG2 GLU 42 9.864 -6.014 -11.151 355 HG3 GLU 42 HG3 GLU 42 9.244 -4.653 -12.086 356 H TYR 43 H TYR 43 11.255 -1.659 -10.752 357 HA TYR 43 HA TYR 43 12.028 -0.433 -8.198 358 HB2 TYR 43 HB2 TYR 43 13.960 0.501 -9.847 359 HB3 TYR 43 HB3 TYR 43 14.149 -0.939 -8.854 360 HD1 TYR 43 HD1 TYR 43 13.355 0.236 -12.287 361 HD2 TYR 43 HD2 TYR 43 14.446 -3.065 -9.831 362 HE1 TYR 43 HE1 TYR 43 13.798 -1.109 -14.298 363 HE2 TYR 43 HE2 TYR 43 14.890 -4.418 -11.834 364 HH TYR 43 HH TYR 43 14.283 -4.505 -14.181 365 H CYS 44 H CYS 44 11.388 1.620 -7.955 366 HA CYS 44 HA CYS 44 10.559 3.159 -10.292 367 HB2 CYS 44 HB2 CYS 44 8.312 3.554 -9.087 368 HB3 CYS 44 HB3 CYS 44 8.534 2.023 -9.932 369 HG CYS 44 HG CYS 44 9.609 1.542 -6.907 370 H GLU 45 H GLU 45 9.458 3.547 -6.980 371 HA GLU 45 HA GLU 45 9.499 5.347 -5.619 372 HB2 GLU 45 HB2 GLU 45 12.135 5.917 -5.179 373 HB3 GLU 45 HB3 GLU 45 11.207 4.664 -4.378 374 HG2 GLU 45 HG2 GLU 45 12.607 4.029 -6.928 375 HG3 GLU 45 HG3 GLU 45 13.533 4.139 -5.429 376 H GLY 46 H GLY 46 11.671 7.333 -5.446 377 HA2 GLY 46 HA2 GLY 46 12.334 9.301 -6.560 378 HA3 GLY 46 HA3 GLY 46 11.253 8.882 -7.885 379 H LEU 47 H LEU 47 9.247 8.285 -5.586 380 HA LEU 47 HA LEU 47 8.173 10.970 -5.506 381 HB2 LEU 47 HB2 LEU 47 6.125 10.059 -4.773 382 HB3 LEU 47 HB3 LEU 47 6.718 9.011 -6.035 383 HG LEU 47 HG LEU 47 5.740 7.618 -4.448 384 HD11 LEU 47 HD11 LEU 47 7.546 6.246 -3.541 385 HD12 LEU 47 HD12 LEU 47 8.692 7.534 -3.912 386 HD13 LEU 47 HD13 LEU 47 7.832 6.717 -5.216 387 HD21 LEU 47 HD21 LEU 47 6.186 7.617 -2.065 388 HD22 LEU 47 HD22 LEU 47 5.547 9.171 -2.601 389 HD23 LEU 47 HD23 LEU 47 7.269 8.996 -2.263 390 H GLN 48 H GLN 48 7.366 11.873 -3.504 391 HA GLN 48 HA GLN 48 9.392 11.439 -1.418 392 HB2 GLN 48 HB2 GLN 48 8.247 13.887 -2.622 393 HB3 GLN 48 HB3 GLN 48 8.563 13.940 -0.900 394 HG2 GLN 48 HG2 GLN 48 10.378 14.753 -2.524 395 HG3 GLN 48 HG3 GLN 48 10.845 13.727 -1.171 396 HE21 GLN 48 HE21 GLN 48 10.273 13.834 -4.615 397 HE22 GLN 48 HE22 GLN 48 11.163 12.400 -5.001 398 H PHE 49 H PHE 49 8.546 12.744 0.647 399 HA PHE 49 HA PHE 49 6.613 10.998 1.747 400 HB2 PHE 49 HB2 PHE 49 6.889 12.357 3.808 401 HB3 PHE 49 HB3 PHE 49 8.418 11.827 3.125 402 HD1 PHE 49 HD2 PHE 49 9.635 13.538 1.589 403 HD2 PHE 49 HD1 PHE 49 6.590 14.570 4.375 404 HE1 PHE 49 HE2 PHE 49 10.440 15.860 1.605 405 HE2 PHE 49 HE1 PHE 49 7.390 16.895 4.393 406 HZ PHE 49 HZ PHE 49 9.318 17.544 3.008 407 H HIS 50 H HIS 50 6.516 14.511 1.094 408 HA HIS 50 HA HIS 50 3.712 14.562 1.842 409 HB2 HIS 50 HB2 HIS 50 5.458 16.384 2.378 410 HB3 HIS 50 HB3 HIS 50 5.260 16.877 0.700 411 HD1 HIS 50 HD1 HIS 50 3.349 16.614 3.934 412 HD2 HIS 50 HD2 HIS 50 3.000 18.370 0.180 413 HE1 HIS 50 HE1 HIS 50 1.375 18.167 4.091 414 HE2 HIS 50 HE2 HIS 50 1.330 19.373 1.878 415 H GLU 51 H GLU 51 5.329 13.616 -0.786 416 HA GLU 51 HA GLU 51 3.585 14.676 -2.823 417 HB2 GLU 51 HB2 GLU 51 6.064 13.644 -2.935 418 HB3 GLU 51 HB3 GLU 51 5.146 12.184 -3.272 419 HG2 GLU 51 HG2 GLU 51 4.034 13.344 -5.135 420 HG3 GLU 51 HG3 GLU 51 5.033 14.763 -4.817 421 H LEU 52 H LEU 52 3.832 11.896 -0.740 422 HA LEU 52 HA LEU 52 1.767 10.355 -1.987 423 HB2 LEU 52 HB2 LEU 52 3.728 9.743 -0.254 424 HB3 LEU 52 HB3 LEU 52 2.434 10.002 0.896 425 HG LEU 52 HG LEU 52 2.667 7.640 0.348 426 HD11 LEU 52 HD11 LEU 52 0.367 7.146 -0.259 427 HD12 LEU 52 HD12 LEU 52 0.146 8.811 -0.801 428 HD13 LEU 52 HD13 LEU 52 0.446 8.470 0.904 429 HD21 LEU 52 HD21 LEU 52 2.184 6.810 -1.897 430 HD22 LEU 52 HD22 LEU 52 3.591 7.874 -1.893 431 HD23 LEU 52 HD23 LEU 52 2.036 8.468 -2.480 432 H THR 53 H THR 53 0.055 11.807 -2.201 433 HA THR 53 HA THR 53 -1.326 12.546 0.287 434 HB THR 53 HB THR 53 -1.989 14.689 -1.007 435 HG1 THR 53 HG1 THR 53 0.415 13.966 -2.374 436 HG21 THR 53 HG21 THR 53 -0.578 14.700 0.992 437 HG22 THR 53 HG22 THR 53 -0.010 15.881 -0.188 438 HG23 THR 53 HG23 THR 53 0.840 14.347 0.003 439 H GLU 54 H GLU 54 -3.564 13.618 -0.482 440 HA GLU 54 HA GLU 54 -5.203 11.608 -1.451 441 HB2 GLU 54 HB2 GLU 54 -6.180 13.376 -0.227 442 HB3 GLU 54 HB3 GLU 54 -5.517 14.600 -1.296 443 HG2 GLU 54 HG2 GLU 54 -7.384 12.694 -2.541 444 HG3 GLU 54 HG3 GLU 54 -8.076 13.773 -1.331 445 H ASP 55 H ASP 55 -3.723 14.296 -3.195 446 HA ASP 55 HA ASP 55 -4.865 13.925 -5.701 447 HB2 ASP 55 HB2 ASP 55 -3.475 15.868 -5.019 448 HB3 ASP 55 HB3 ASP 55 -2.047 14.841 -5.087 449 H PHE 56 H PHE 56 -2.072 12.339 -4.231 450 HA PHE 56 HA PHE 56 -1.241 10.959 -6.579 451 HB2 PHE 56 HB2 PHE 56 0.271 11.368 -4.667 452 HB3 PHE 56 HB3 PHE 56 -0.704 10.292 -3.675 453 HD1 PHE 56 HD1 PHE 56 -0.664 7.864 -4.053 454 HD2 PHE 56 HD2 PHE 56 1.793 10.520 -6.303 455 HE1 PHE 56 HE1 PHE 56 0.713 5.965 -4.787 456 HE2 PHE 56 HE2 PHE 56 3.171 8.621 -7.046 457 HZ PHE 56 HZ PHE 56 2.630 6.340 -6.286 458 H LEU 57 H LEU 57 -3.023 9.928 -3.680 459 HA LEU 57 HA LEU 57 -3.500 7.287 -4.470 460 HB2 LEU 57 HB2 LEU 57 -4.891 9.163 -2.581 461 HB3 LEU 57 HB3 LEU 57 -5.559 7.576 -2.903 462 HG LEU 57 HG LEU 57 -4.241 7.610 -0.843 463 HD11 LEU 57 HD11 LEU 57 -2.955 5.992 -3.030 464 HD12 LEU 57 HD12 LEU 57 -4.399 5.543 -2.124 465 HD13 LEU 57 HD13 LEU 57 -2.844 5.670 -1.301 466 HD21 LEU 57 HD21 LEU 57 -2.630 9.335 -1.401 467 HD22 LEU 57 HD22 LEU 57 -1.914 8.287 -2.628 468 HD23 LEU 57 HD23 LEU 57 -1.810 7.847 -0.923 469 H ARG 58 H ARG 58 -5.242 10.257 -5.083 470 HA ARG 58 HA ARG 58 -7.584 9.245 -6.205 471 HB2 ARG 58 HB2 ARG 58 -6.950 11.650 -5.579 472 HB3 ARG 58 HB3 ARG 58 -6.178 11.736 -7.153 473 HG2 ARG 58 HG2 ARG 58 -8.355 11.223 -8.203 474 HG3 ARG 58 HG3 ARG 58 -9.098 11.263 -6.600 475 HD2 ARG 58 HD2 ARG 58 -8.113 13.583 -6.361 476 HD3 ARG 58 HD3 ARG 58 -7.755 13.506 -8.083 477 HE ARG 58 HE ARG 58 -10.502 13.270 -7.018 478 HH11 ARG 58 HH11 ARG 58 -8.210 14.513 -9.361 479 HH12 ARG 58 HH12 ARG 58 -9.385 15.516 -10.159 480 HH21 ARG 58 HH21 ARG 58 -12.035 14.610 -8.050 481 HH22 ARG 58 HH22 ARG 58 -11.547 15.583 -9.406 482 H ASP 59 H ASP 59 -4.553 10.222 -7.807 483 HA ASP 59 HA ASP 59 -5.476 9.510 -10.409 484 HB2 ASP 59 HB2 ASP 59 -3.742 11.219 -10.075 485 HB3 ASP 59 HB3 ASP 59 -2.648 9.990 -9.447 486 H TYR 60 H TYR 60 -3.402 7.917 -8.025 487 HA TYR 60 HA TYR 60 -2.595 5.787 -9.697 488 HB2 TYR 60 HB2 TYR 60 -1.474 6.453 -7.552 489 HB3 TYR 60 HB3 TYR 60 -2.830 5.745 -6.681 490 HD1 TYR 60 HD2 TYR 60 -0.125 4.911 -9.095 491 HD2 TYR 60 HD1 TYR 60 -2.830 3.458 -6.151 492 HE1 TYR 60 HE2 TYR 60 0.986 2.718 -9.166 493 HE2 TYR 60 HE1 TYR 60 -1.726 1.260 -6.214 494 HH TYR 60 HH TYR 60 -0.348 -0.070 -7.749 495 H LEU 61 H LEU 61 -5.306 6.221 -7.486 496 HA LEU 61 HA LEU 61 -6.417 3.658 -7.633 497 HB2 LEU 61 HB2 LEU 61 -7.214 5.305 -6.045 498 HB3 LEU 61 HB3 LEU 61 -7.747 6.352 -7.344 499 HG LEU 61 HG LEU 61 -9.412 4.620 -7.993 500 HD11 LEU 61 HD11 LEU 61 -8.274 2.678 -7.028 501 HD12 LEU 61 HD12 LEU 61 -9.927 2.827 -6.433 502 HD13 LEU 61 HD13 LEU 61 -8.574 3.311 -5.409 503 HD21 LEU 61 HD21 LEU 61 -9.592 5.619 -5.153 504 HD22 LEU 61 HD22 LEU 61 -10.946 5.083 -6.149 505 HD23 LEU 61 HD23 LEU 61 -10.035 6.524 -6.600 506 H ILE 62 H ILE 62 -7.113 6.548 -9.563 507 HA ILE 62 HA ILE 62 -8.939 5.387 -11.329 508 HB ILE 62 HB ILE 62 -7.060 7.705 -11.801 509 HG12 ILE 62 HG12 ILE 62 -8.574 8.058 -9.919 510 HG13 ILE 62 HG13 ILE 62 -9.048 9.075 -11.277 511 HG21 ILE 62 HG21 ILE 62 -9.497 6.867 -13.365 512 HG22 ILE 62 HG22 ILE 62 -7.826 6.833 -13.926 513 HG23 ILE 62 HG23 ILE 62 -8.610 8.375 -13.588 514 HD11 ILE 62 HD11 ILE 62 -10.833 7.512 -11.829 515 HD12 ILE 62 HD12 ILE 62 -10.982 8.100 -10.174 516 HD13 ILE 62 HD13 ILE 62 -10.351 6.481 -10.482 517 H TYR 63 H TYR 63 -5.416 5.721 -11.619 518 HA TYR 63 HA TYR 63 -5.136 4.627 -14.192 519 HB2 TYR 63 HB2 TYR 63 -3.362 5.839 -12.910 520 HB3 TYR 63 HB3 TYR 63 -3.188 4.424 -11.881 521 HD1 TYR 63 HD1 TYR 63 -2.250 2.326 -12.820 522 HD2 TYR 63 HD2 TYR 63 -2.375 5.930 -15.077 523 HE1 TYR 63 HE1 TYR 63 -0.593 1.401 -14.378 524 HE2 TYR 63 HE2 TYR 63 -0.718 5.010 -16.643 525 HH TYR 63 HH TYR 63 0.141 1.705 -16.677 526 H MET 64 H MET 64 -5.173 3.132 -11.012 527 HA MET 64 HA MET 64 -4.538 0.510 -11.890 528 HB2 MET 64 HB2 MET 64 -4.164 1.313 -9.606 529 HB3 MET 64 HB3 MET 64 -5.893 1.466 -9.368 530 HG2 MET 64 HG2 MET 64 -6.207 -0.761 -9.106 531 HG3 MET 64 HG3 MET 64 -4.867 -1.188 -10.171 532 HE1 MET 64 HE1 MET 64 -5.633 0.527 -6.658 533 HE2 MET 64 HE2 MET 64 -4.361 1.500 -7.399 534 HE3 MET 64 HE3 MET 64 -4.009 0.530 -5.970 535 H LYS 65 H LYS 65 -7.586 2.166 -11.196 536 HA LYS 65 HA LYS 65 -9.132 -0.210 -11.585 537 HB2 LYS 65 HB2 LYS 65 -11.086 1.171 -11.271 538 HB3 LYS 65 HB3 LYS 65 -9.870 1.576 -10.072 539 HG2 LYS 65 HG2 LYS 65 -10.487 3.669 -10.632 540 HG3 LYS 65 HG3 LYS 65 -9.276 3.431 -11.891 541 HD2 LYS 65 HD2 LYS 65 -11.361 4.383 -12.783 542 HD3 LYS 65 HD3 LYS 65 -11.012 2.794 -13.473 543 HE2 LYS 65 HE2 LYS 65 -12.625 1.752 -12.034 544 HE3 LYS 65 HE3 LYS 65 -12.875 3.254 -11.144 545 HZ1 LYS 65 HZ1 LYS 65 -13.867 4.242 -13.057 546 HZ2 LYS 65 HZ2 LYS 65 -14.634 2.752 -12.787 547 HZ3 LYS 65 HZ3 LYS 65 -13.489 2.901 -14.030 548 H LYS 66 H LYS 66 -7.795 2.068 -13.742 549 HA LYS 66 HA LYS 66 -9.674 1.322 -15.859 550 HB2 LYS 66 HB2 LYS 66 -7.486 3.386 -15.710 551 HB3 LYS 66 HB3 LYS 66 -8.278 2.964 -17.215 552 HG2 LYS 66 HG2 LYS 66 -10.439 3.650 -16.228 553 HG3 LYS 66 HG3 LYS 66 -9.568 4.169 -14.780 554 HD2 LYS 66 HD2 LYS 66 -8.242 5.718 -16.146 555 HD3 LYS 66 HD3 LYS 66 -9.137 5.211 -17.579 556 HE2 LYS 66 HE2 LYS 66 -11.211 6.037 -16.566 557 HE3 LYS 66 HE3 LYS 66 -10.299 6.562 -15.148 558 HZ1 LYS 66 HZ1 LYS 66 -8.978 8.000 -16.657 559 HZ2 LYS 66 HZ2 LYS 66 -10.617 8.431 -16.568 560 HZ3 LYS 66 HZ3 LYS 66 -10.033 7.585 -17.923 561 H THR 67 H THR 67 -6.141 1.611 -15.507 562 HA THR 67 HA THR 67 -5.698 0.097 -17.886 563 HB THR 67 HB THR 67 -3.723 1.047 -15.803 564 HG1 THR 67 HG1 THR 67 -3.918 2.306 -18.271 565 HG21 THR 67 HG21 THR 67 -3.293 0.143 -18.656 566 HG22 THR 67 HG22 THR 67 -2.809 -0.740 -17.211 567 HG23 THR 67 HG23 THR 67 -2.055 0.806 -17.589 568 H LEU 68 H LEU 68 -5.311 -0.566 -14.415 569 HA LEU 68 HA LEU 68 -4.042 -3.097 -14.937 570 HB2 LEU 68 HB2 LEU 68 -5.041 -1.881 -12.367 571 HB3 LEU 68 HB3 LEU 68 -4.183 -3.405 -12.467 572 HG LEU 68 HG LEU 68 -3.098 -0.677 -13.177 573 HD11 LEU 68 HD11 LEU 68 -3.205 -1.104 -10.790 574 HD12 LEU 68 HD12 LEU 68 -1.533 -1.117 -11.353 575 HD13 LEU 68 HD13 LEU 68 -2.362 -2.636 -11.010 576 HD21 LEU 68 HD21 LEU 68 -1.759 -3.374 -13.379 577 HD22 LEU 68 HD22 LEU 68 -0.991 -1.809 -13.655 578 HD23 LEU 68 HD23 LEU 68 -2.266 -2.371 -14.737 579 H CYS 69 H CYS 69 -7.155 -2.123 -15.180 580 HA CYS 69 HA CYS 69 -9.059 -3.252 -15.650 581 HB2 CYS 69 HB2 CYS 69 -7.277 -5.694 -15.641 582 HB3 CYS 69 HB3 CYS 69 -8.874 -5.573 -16.374 583 HG CYS 69 HG CYS 69 -6.339 -3.518 -17.388 584 H ASN 70 H ASN 70 -8.205 -2.896 -12.834 585 HA ASN 70 HA ASN 70 -9.966 -4.959 -11.685 586 HB2 ASN 70 HB2 ASN 70 -7.488 -3.702 -10.535 587 HB3 ASN 70 HB3 ASN 70 -8.734 -4.360 -9.481 588 HD21 ASN 70 HD21 ASN 70 -6.236 -5.092 -11.774 589 HD22 ASN 70 HD22 ASN 70 -6.213 -6.801 -11.497 590 H ALA 71 H ALA 71 -11.397 -4.253 -10.040 591 HA ALA 71 HA ALA 71 -12.345 -1.573 -10.506 592 HB1 ALA 71 HB1 ALA 71 -13.384 -3.668 -8.604 593 HB2 ALA 71 HB2 ALA 71 -13.904 -3.456 -10.275 594 HB3 ALA 71 HB3 ALA 71 -14.214 -2.191 -9.088 595 H ASP 72 H ASP 72 -12.998 -0.199 -8.619 596 HA ASP 72 HA ASP 72 -10.779 0.563 -7.106 597 HB2 ASP 72 HB2 ASP 72 -12.462 1.902 -5.763 598 HB3 ASP 72 HB3 ASP 72 -12.466 2.192 -7.496 599 H SER 73 H SER 73 -13.454 -1.577 -6.323 600 HA SER 73 HA SER 73 -13.069 -1.860 -3.591 601 HB2 SER 73 HB2 SER 73 -13.902 -4.025 -5.539 602 HB3 SER 73 HB3 SER 73 -14.250 -3.975 -3.807 603 HG SER 73 HG SER 73 -15.429 -2.016 -4.215 604 H THR 74 H THR 74 -11.408 -3.443 -6.281 605 HA THR 74 HA THR 74 -9.761 -5.064 -4.557 606 HB THR 74 HB THR 74 -9.332 -4.448 -7.486 607 HG1 THR 74 HG1 THR 74 -11.322 -5.861 -6.279 608 HG21 THR 74 HG21 THR 74 -8.178 -6.613 -7.501 609 HG22 THR 74 HG22 THR 74 -8.481 -6.784 -5.772 610 HG23 THR 74 HG23 THR 74 -7.429 -5.495 -6.360 611 H ALA 75 H ALA 75 -9.423 -2.127 -6.478 612 HA ALA 75 HA ALA 75 -6.668 -1.723 -6.197 613 HB1 ALA 75 HB1 ALA 75 -8.123 -0.560 -7.822 614 HB2 ALA 75 HB2 ALA 75 -7.098 0.546 -6.909 615 HB3 ALA 75 HB3 ALA 75 -8.806 0.387 -6.499 616 H GLN 76 H GLN 76 -9.350 -0.800 -4.099 617 HA GLN 76 HA GLN 76 -7.976 0.932 -2.399 618 HB2 GLN 76 HB2 GLN 76 -10.388 -0.824 -2.082 619 HB3 GLN 76 HB3 GLN 76 -9.793 0.148 -0.756 620 HG2 GLN 76 HG2 GLN 76 -10.549 1.249 -3.445 621 HG3 GLN 76 HG3 GLN 76 -11.629 1.211 -2.056 622 HE21 GLN 76 HE21 GLN 76 -10.616 3.495 -3.549 623 HE22 GLN 76 HE22 GLN 76 -9.789 4.487 -2.403 624 H ARG 77 H ARG 77 -8.156 -2.578 -2.458 625 HA ARG 77 HA ARG 77 -6.881 -2.987 0.050 626 HB2 ARG 77 HB2 ARG 77 -7.447 -4.691 -2.331 627 HB3 ARG 77 HB3 ARG 77 -6.208 -5.236 -1.212 628 HG2 ARG 77 HG2 ARG 77 -8.292 -6.255 -0.630 629 HG3 ARG 77 HG3 ARG 77 -7.849 -5.099 0.624 630 HD2 ARG 77 HD2 ARG 77 -9.378 -3.451 -0.400 631 HD3 ARG 77 HD3 ARG 77 -9.858 -4.669 -1.584 632 HE ARG 77 HE ARG 77 -10.214 -5.686 1.029 633 HH11 ARG 77 HH11 ARG 77 -11.618 -3.424 -1.246 634 HH12 ARG 77 HH12 ARG 77 -13.197 -3.476 -0.521 635 HH21 ARG 77 HH21 ARG 77 -12.286 -5.756 1.989 636 HH22 ARG 77 HH22 ARG 77 -13.574 -4.790 1.336 637 H ASN 78 H ASN 78 -5.721 -2.601 -3.253 638 HA ASN 78 HA ASN 78 -2.992 -3.131 -2.689 639 HB2 ASN 78 HB2 ASN 78 -4.259 -3.154 -4.951 640 HB3 ASN 78 HB3 ASN 78 -4.004 -1.415 -4.956 641 HD21 ASN 78 HD21 ASN 78 -1.403 -1.512 -3.738 642 HD22 ASN 78 HD22 ASN 78 -0.336 -2.143 -4.932 643 H LEU 79 H LEU 79 -5.049 -0.361 -2.393 644 HA LEU 79 HA LEU 79 -2.887 1.506 -2.004 645 HB2 LEU 79 HB2 LEU 79 -5.853 1.727 -1.467 646 HB3 LEU 79 HB3 LEU 79 -4.714 3.046 -1.274 647 HG LEU 79 HG LEU 79 -5.381 1.648 -3.866 648 HD11 LEU 79 HD11 LEU 79 -6.030 4.425 -2.891 649 HD12 LEU 79 HD12 LEU 79 -7.173 3.092 -3.052 650 HD13 LEU 79 HD13 LEU 79 -6.403 3.772 -4.486 651 HD21 LEU 79 HD21 LEU 79 -3.548 3.969 -3.307 652 HD22 LEU 79 HD22 LEU 79 -4.008 3.388 -4.906 653 HD23 LEU 79 HD23 LEU 79 -3.063 2.356 -3.831 654 H SER 80 H SER 80 -4.957 -0.501 -0.048 655 HA SER 80 HA SER 80 -4.393 0.703 2.448 656 HB2 SER 80 HB2 SER 80 -5.344 -2.098 1.822 657 HB3 SER 80 HB3 SER 80 -5.367 -1.346 3.419 658 HG SER 80 HG SER 80 -6.687 -0.288 1.130 659 H THR 81 H THR 81 -2.623 -1.600 0.516 660 HA THR 81 HA THR 81 -0.954 -2.516 2.648 661 HB THR 81 HB THR 81 0.601 -3.158 0.698 662 HG1 THR 81 HG1 THR 81 0.010 -2.326 -1.152 663 HG21 THR 81 HG21 THR 81 -0.831 -4.771 1.821 664 HG22 THR 81 HG22 THR 81 -0.835 -5.070 0.083 665 HG23 THR 81 HG23 THR 81 -2.207 -4.263 0.842 666 H ILE 82 H ILE 82 -0.780 0.068 0.259 667 HA ILE 82 HA ILE 82 1.780 1.046 0.978 668 HB ILE 82 HB ILE 82 -0.588 2.453 -0.277 669 HG12 ILE 82 HG12 ILE 82 1.993 1.489 -1.519 670 HG13 ILE 82 HG13 ILE 82 0.496 0.572 -1.544 671 HG21 ILE 82 HG21 ILE 82 2.249 3.425 0.051 672 HG22 ILE 82 HG22 ILE 82 0.803 4.118 0.787 673 HG23 ILE 82 HG23 ILE 82 1.028 4.192 -0.961 674 HD11 ILE 82 HD11 ILE 82 0.937 3.279 -2.781 675 HD12 ILE 82 HD12 ILE 82 -0.577 2.375 -2.804 676 HD13 ILE 82 HD13 ILE 82 0.843 1.741 -3.638 677 H LYS 83 H LYS 83 -1.452 1.507 2.237 678 HA LYS 83 HA LYS 83 -0.975 3.685 3.948 679 HB2 LYS 83 HB2 LYS 83 -3.185 2.362 3.274 680 HB3 LYS 83 HB3 LYS 83 -2.862 1.526 4.786 681 HG2 LYS 83 HG2 LYS 83 -2.978 4.521 4.648 682 HG3 LYS 83 HG3 LYS 83 -4.434 3.544 4.823 683 HD2 LYS 83 HD2 LYS 83 -3.697 2.664 6.896 684 HD3 LYS 83 HD3 LYS 83 -2.076 3.324 6.678 685 HE2 LYS 83 HE2 LYS 83 -3.244 4.696 8.254 686 HE3 LYS 83 HE3 LYS 83 -3.065 5.606 6.756 687 HZ1 LYS 83 HZ1 LYS 83 -5.482 4.495 7.986 688 HZ2 LYS 83 HZ2 LYS 83 -5.425 4.593 6.297 689 HZ3 LYS 83 HZ3 LYS 83 -5.246 6.000 7.233 690 H ILE 84 H ILE 84 -0.261 0.261 4.296 691 HA ILE 84 HA ILE 84 0.378 0.333 7.052 692 HB ILE 84 HB ILE 84 1.499 -1.477 4.902 693 HG12 ILE 84 HG12 ILE 84 -0.931 -1.630 5.022 694 HG13 ILE 84 HG13 ILE 84 -0.201 -3.086 5.692 695 HG21 ILE 84 HG21 ILE 84 1.451 -1.844 7.891 696 HG22 ILE 84 HG22 ILE 84 2.873 -1.451 6.925 697 HG23 ILE 84 HG23 ILE 84 2.059 -3.001 6.707 698 HD11 ILE 84 HD11 ILE 84 -0.583 -2.227 7.950 699 HD12 ILE 84 HD12 ILE 84 -2.083 -2.366 7.033 700 HD13 ILE 84 HD13 ILE 84 -1.335 -0.784 7.269 701 H TYR 85 H TYR 85 2.226 0.997 4.128 702 HA TYR 85 HA TYR 85 4.747 1.375 5.398 703 HB2 TYR 85 HB2 TYR 85 4.718 0.936 3.037 704 HB3 TYR 85 HB3 TYR 85 3.637 2.291 2.737 705 HD1 TYR 85 HD1 TYR 85 7.071 1.509 3.972 706 HD2 TYR 85 HD2 TYR 85 4.518 4.356 2.103 707 HE1 TYR 85 HE1 TYR 85 9.013 2.944 3.515 708 HE2 TYR 85 HE2 TYR 85 6.455 5.798 1.643 709 HH TYR 85 HH TYR 85 8.697 6.188 2.439 710 H VAL 86 H VAL 86 2.248 3.602 4.238 711 HA VAL 86 HA VAL 86 3.459 5.992 5.046 712 HB VAL 86 HB VAL 86 0.528 5.320 4.752 713 HG11 VAL 86 HG11 VAL 86 0.789 7.303 6.142 714 HG12 VAL 86 HG12 VAL 86 0.167 7.739 4.551 715 HG13 VAL 86 HG13 VAL 86 1.862 8.022 4.940 716 HG21 VAL 86 HG21 VAL 86 2.485 6.634 2.872 717 HG22 VAL 86 HG22 VAL 86 0.757 6.446 2.576 718 HG23 VAL 86 HG23 VAL 86 1.791 5.022 2.702 719 H SER 87 H SER 87 1.146 3.902 6.733 720 HA SER 87 HA SER 87 0.805 5.465 9.016 721 HB2 SER 87 HB2 SER 87 0.204 2.741 8.162 722 HB3 SER 87 HB3 SER 87 0.512 2.861 9.903 723 HG SER 87 HG SER 87 -1.602 3.322 9.720 724 H ALA 88 H ALA 88 3.249 2.986 8.298 725 HA ALA 88 HA ALA 88 4.463 2.976 10.845 726 HB1 ALA 88 HB1 ALA 88 4.891 1.267 9.124 727 HB2 ALA 88 HB2 ALA 88 6.382 1.974 9.747 728 HB3 ALA 88 HB3 ALA 88 5.765 2.466 8.169 729 H ALA 89 H ALA 89 4.917 4.957 7.989 730 HA ALA 89 HA ALA 89 7.108 6.475 8.983 731 HB1 ALA 89 HB1 ALA 89 5.160 7.201 6.806 732 HB2 ALA 89 HB2 ALA 89 6.613 6.227 6.584 733 HB3 ALA 89 HB3 ALA 89 6.750 7.914 7.081 734 H ILE 90 H ILE 90 3.705 6.626 9.454 735 HA ILE 90 HA ILE 90 3.618 9.358 10.241 736 HB ILE 90 HB ILE 90 1.707 7.098 10.853 737 HG12 ILE 90 HG12 ILE 90 1.461 9.358 8.862 738 HG13 ILE 90 HG13 ILE 90 1.973 7.725 8.446 739 HG21 ILE 90 HG21 ILE 90 1.373 10.066 11.271 740 HG22 ILE 90 HG22 ILE 90 1.454 8.827 12.523 741 HG23 ILE 90 HG23 ILE 90 0.084 8.870 11.413 742 HD11 ILE 90 HD11 ILE 90 -0.178 6.860 9.179 743 HD12 ILE 90 HD12 ILE 90 -0.369 8.090 7.930 744 HD13 ILE 90 HD13 ILE 90 -0.688 8.489 9.617 745 H LYS 91 H LYS 91 4.041 6.294 11.982 746 HA LYS 91 HA LYS 91 3.732 7.498 14.561 747 HB2 LYS 91 HB2 LYS 91 4.539 4.797 13.586 748 HB3 LYS 91 HB3 LYS 91 4.947 5.240 15.237 749 HG2 LYS 91 HG2 LYS 91 2.929 4.151 15.468 750 HG3 LYS 91 HG3 LYS 91 2.457 5.848 15.458 751 HD2 LYS 91 HD2 LYS 91 1.836 5.671 13.105 752 HD3 LYS 91 HD3 LYS 91 2.349 3.982 13.090 753 HE2 LYS 91 HE2 LYS 91 0.679 3.557 14.910 754 HE3 LYS 91 HE3 LYS 91 0.081 5.194 14.661 755 HZ1 LYS 91 HZ1 LYS 91 0.109 3.017 12.641 756 HZ2 LYS 91 HZ2 LYS 91 -0.444 4.600 12.365 757 HZ3 LYS 91 HZ3 LYS 91 -1.251 3.595 13.470 758 H LYS 92 H LYS 92 6.523 6.299 12.730 759 HA LYS 92 HA LYS 92 8.174 8.355 13.882 760 HB2 LYS 92 HB2 LYS 92 8.653 5.424 14.355 761 HB3 LYS 92 HB3 LYS 92 9.960 6.589 14.371 762 HG2 LYS 92 HG2 LYS 92 8.690 7.842 16.137 763 HG3 LYS 92 HG3 LYS 92 7.601 6.455 16.216 764 HD2 LYS 92 HD2 LYS 92 9.403 5.009 16.854 765 HD3 LYS 92 HD3 LYS 92 10.578 6.300 16.602 766 HE2 LYS 92 HE2 LYS 92 9.352 7.603 18.375 767 HE3 LYS 92 HE3 LYS 92 8.438 6.134 18.710 768 HZ1 LYS 92 HZ1 LYS 92 11.393 6.404 18.895 769 HZ2 LYS 92 HZ2 LYS 92 10.496 5.009 19.256 770 HZ3 LYS 92 HZ3 LYS 92 10.319 6.398 20.207 771 H GLY 93 H GLY 93 7.666 8.718 11.490 772 HA2 GLY 93 HA2 GLY 93 9.969 7.646 10.005 773 HA3 GLY 93 HA3 GLY 93 8.376 7.642 9.265 774 H TYR 94 H TYR 94 7.336 9.713 8.892 775 HA TYR 94 HA TYR 94 8.827 12.134 8.944 776 HB2 TYR 94 HB2 TYR 94 9.882 10.514 7.141 777 HB3 TYR 94 HB3 TYR 94 8.530 11.073 6.171 778 HD1 TYR 94 HD2 TYR 94 10.058 13.348 8.598 779 HD2 TYR 94 HD1 TYR 94 10.070 12.055 4.546 780 HE1 TYR 94 HE2 TYR 94 11.359 15.339 7.969 781 HE2 TYR 94 HE1 TYR 94 11.374 14.034 3.911 782 HH TYR 94 HH TYR 94 13.023 15.911 6.035 783 H MET 95 H MET 95 6.133 10.231 8.131 784 HA MET 95 HA MET 95 4.636 12.282 6.779 785 HB2 MET 95 HB2 MET 95 3.906 9.534 7.797 786 HB3 MET 95 HB3 MET 95 2.776 10.597 6.980 787 HG2 MET 95 HG2 MET 95 5.332 9.535 5.812 788 HG3 MET 95 HG3 MET 95 3.713 8.927 5.473 789 HE1 MET 95 HE1 MET 95 2.072 11.763 3.428 790 HE2 MET 95 HE2 MET 95 1.884 11.414 5.148 791 HE3 MET 95 HE3 MET 95 1.955 10.092 3.981 792 H GLU 96 H GLU 96 3.127 13.586 7.620 793 HA GLU 96 HA GLU 96 2.991 13.901 10.473 794 HB2 GLU 96 HB2 GLU 96 1.317 15.283 8.370 795 HB3 GLU 96 HB3 GLU 96 1.652 15.842 10.003 796 HG2 GLU 96 HG2 GLU 96 3.674 15.562 7.792 797 HG3 GLU 96 HG3 GLU 96 2.946 17.070 8.341 798 H ASN 97 H ASN 97 0.721 13.082 7.886 799 HA ASN 97 HA ASN 97 -0.650 11.233 9.646 800 HB2 ASN 97 HB2 ASN 97 -2.076 13.548 8.313 801 HB3 ASN 97 HB3 ASN 97 -2.912 12.091 8.835 802 HD21 ASN 97 HD21 ASN 97 -2.965 11.613 11.100 803 HD22 ASN 97 HD22 ASN 97 -2.782 12.878 12.268 804 H ASP 98 H ASP 98 -2.501 10.175 8.173 805 HA ASP 98 HA ASP 98 -1.106 9.304 5.792 806 HB2 ASP 98 HB2 ASP 98 -3.016 7.651 5.699 807 HB3 ASP 98 HB3 ASP 98 -1.979 7.525 7.105 808 HA PRO 99 HA PRO 99 -3.515 11.735 2.986 809 HB2 PRO 99 HB2 PRO 99 -3.530 10.036 0.845 810 HB3 PRO 99 HB3 PRO 99 -2.144 11.036 1.288 811 HG2 PRO 99 HG2 PRO 99 -2.666 8.146 1.878 812 HG3 PRO 99 HG3 PRO 99 -1.164 8.924 1.342 813 HD2 PRO 99 HD2 PRO 99 -1.566 8.253 3.910 814 HD3 PRO 99 HD3 PRO 99 -0.675 9.722 3.462 815 H PHE 100 H PHE 100 -4.408 8.563 3.994 816 HA PHE 100 HA PHE 100 -6.952 8.481 2.680 817 HB2 PHE 100 HB2 PHE 100 -5.748 6.828 4.902 818 HB3 PHE 100 HB3 PHE 100 -7.357 6.537 4.248 819 HD1 PHE 100 HD1 PHE 100 -3.758 6.586 3.417 820 HD2 PHE 100 HD2 PHE 100 -7.658 5.371 2.229 821 HE1 PHE 100 HE1 PHE 100 -2.779 5.194 1.644 822 HE2 PHE 100 HE2 PHE 100 -6.688 3.974 0.453 823 HZ PHE 100 HZ PHE 100 -4.243 3.884 0.158 824 H LYS 101 H LYS 101 -5.721 9.895 5.546 825 HA LYS 101 HA LYS 101 -8.116 10.112 7.024 826 HB2 LYS 101 HB2 LYS 101 -5.822 10.405 7.941 827 HB3 LYS 101 HB3 LYS 101 -5.642 11.863 6.985 828 HG2 LYS 101 HG2 LYS 101 -7.772 11.552 9.068 829 HG3 LYS 101 HG3 LYS 101 -6.159 12.151 9.438 830 HD2 LYS 101 HD2 LYS 101 -8.053 13.375 7.432 831 HD3 LYS 101 HD3 LYS 101 -7.777 13.958 9.063 832 HE2 LYS 101 HE2 LYS 101 -5.450 14.407 8.546 833 HE3 LYS 101 HE3 LYS 101 -5.669 13.748 6.927 834 HZ1 LYS 101 HZ1 LYS 101 -7.186 16.087 7.952 835 HZ2 LYS 101 HZ2 LYS 101 -7.092 15.546 6.347 836 HZ3 LYS 101 HZ3 LYS 101 -5.732 16.230 7.094 837 H ASP 102 H ASP 102 -6.592 11.927 4.470 838 HA ASP 102 HA ASP 102 -8.686 13.984 4.589 839 HB2 ASP 102 HB2 ASP 102 -6.112 14.458 4.618 840 HB3 ASP 102 HB3 ASP 102 -6.226 14.170 2.883 841 H PHE 103 H PHE 103 -8.340 11.149 3.240 842 HA PHE 103 HA PHE 103 -8.770 11.748 0.460 843 HB2 PHE 103 HB2 PHE 103 -7.501 9.749 1.148 844 HB3 PHE 103 HB3 PHE 103 -8.928 9.121 1.957 845 HD1 PHE 103 HD1 PHE 103 -8.330 10.608 -1.416 846 HD2 PHE 103 HD2 PHE 103 -9.737 7.289 0.849 847 HE1 PHE 103 HE1 PHE 103 -8.996 9.475 -3.499 848 HE2 PHE 103 HE2 PHE 103 -10.410 6.153 -1.226 849 HZ PHE 103 HZ PHE 103 -10.039 7.245 -3.401 850 H GLY 104 H GLY 104 -10.610 13.080 0.778 851 HA2 GLY 104 HA2 GLY 104 -12.941 12.779 -0.024 852 HA3 GLY 104 HA3 GLY 104 -13.094 11.537 1.214 853 H LEU 105 H LEU 105 -13.126 12.148 3.407 854 HA LEU 105 HA LEU 105 -13.846 13.367 5.176 855 HB2 LEU 105 HB2 LEU 105 -11.603 14.323 4.896 856 HB3 LEU 105 HB3 LEU 105 -12.256 15.542 3.817 857 HG LEU 105 HG LEU 105 -13.610 16.435 5.687 858 HD11 LEU 105 HD11 LEU 105 -13.126 15.698 7.970 859 HD12 LEU 105 HD12 LEU 105 -12.085 14.426 7.334 860 HD13 LEU 105 HD13 LEU 105 -13.815 14.400 6.998 861 HD21 LEU 105 HD21 LEU 105 -10.648 16.243 6.218 862 HD22 LEU 105 HD22 LEU 105 -11.736 17.440 6.914 863 HD23 LEU 105 HD23 LEU 105 -11.444 17.421 5.177 864 H GLU 106 H GLU 106 -16.065 13.390 4.784 865 HA GLU 106 HA GLU 106 -17.246 15.361 3.085 866 HB2 GLU 106 HB2 GLU 106 -18.527 13.573 5.162 867 HB3 GLU 106 HB3 GLU 106 -19.395 14.548 3.983 868 HG2 GLU 106 HG2 GLU 106 -18.103 13.274 2.204 869 HG3 GLU 106 HG3 GLU 106 -17.641 12.165 3.493 870 H HIS 107 H HIS 107 -19.131 16.719 4.146 871 HA HIS 107 HA HIS 107 -19.457 18.752 5.075 872 HB2 HIS 107 HB2 HIS 107 -19.620 17.453 7.190 873 HB3 HIS 107 HB3 HIS 107 -17.892 17.675 7.434 874 HD1 HIS 107 HD1 HIS 107 -21.154 19.536 7.550 875 HD2 HIS 107 HD2 HIS 107 -17.133 20.182 8.396 876 HE1 HIS 107 HE1 HIS 107 -21.063 21.715 8.802 877 HE2 HIS 107 HE2 HIS 107 -18.607 22.172 9.148 878 H HIS 108 H HIS 108 -18.051 19.455 3.341 879 HA HIS 108 HA HIS 108 -15.885 21.044 4.473 880 HB2 HIS 108 HB2 HIS 108 -14.427 20.593 2.506 881 HB3 HIS 108 HB3 HIS 108 -14.674 19.184 3.526 882 HD1 HIS 108 HD1 HIS 108 -15.238 17.102 2.322 883 HD2 HIS 108 HD2 HIS 108 -16.179 20.484 0.084 884 HE1 HIS 108 HE1 HIS 108 -15.992 16.248 0.077 885 HE2 HIS 108 HE2 HIS 108 -16.429 18.310 -1.301 886 H HIS 109 H HIS 109 -15.537 23.012 3.414 887 HA HIS 109 HA HIS 109 -16.139 24.887 2.265 888 HB2 HIS 109 HB2 HIS 109 -17.661 22.906 0.566 889 HB3 HIS 109 HB3 HIS 109 -17.763 24.640 0.292 890 HD1 HIS 109 HD1 HIS 109 -14.735 22.363 0.860 891 HD2 HIS 109 HD2 HIS 109 -16.215 25.154 -1.839 892 HE1 HIS 109 HE1 HIS 109 -12.966 22.602 -0.902 893 HE2 HIS 109 HE2 HIS 109 -13.955 24.153 -2.616 894 H HIS 110 H HIS 110 -18.530 25.872 1.425 895 HA HIS 110 HA HIS 110 -20.477 26.768 2.140 896 HB2 HIS 110 HB2 HIS 110 -20.697 23.981 3.156 897 HB3 HIS 110 HB3 HIS 110 -21.852 25.168 3.753 898 HD1 HIS 110 HD1 HIS 110 -23.235 26.457 1.792 899 HD2 HIS 110 HD2 HIS 110 -21.333 22.904 0.751 900 HE1 HIS 110 HE1 HIS 110 -24.327 25.702 -0.346 901 HE2 HIS 110 HE2 HIS 110 -23.317 23.440 -0.817 902 H HIS 111 H HIS 111 -18.393 27.763 3.461 903 HA HIS 111 HA HIS 111 -18.894 27.774 6.302 904 HB2 HIS 111 HB2 HIS 111 -17.205 29.557 4.529 905 HB3 HIS 111 HB3 HIS 111 -17.353 29.786 6.268 906 HD1 HIS 111 HD1 HIS 111 -15.831 28.452 7.725 907 HD2 HIS 111 HD2 HIS 111 -15.944 27.022 3.819 908 HE1 HIS 111 HE1 HIS 111 -14.040 26.689 7.593 909 HE2 HIS 111 HE2 HIS 111 -14.307 25.674 5.302 910 H HIS 112 H HIS 112 -19.632 29.718 3.504 911 HA HIS 112 HA HIS 112 -22.113 30.513 4.706 912 HB2 HIS 112 HB2 HIS 112 -21.876 32.908 4.359 913 HB3 HIS 112 HB3 HIS 112 -20.635 32.348 5.467 914 HD1 HIS 112 HD1 HIS 112 -18.214 32.725 4.800 915 HD2 HIS 112 HD2 HIS 112 -20.925 33.738 1.811 916 HE1 HIS 112 HE1 HIS 112 -16.886 33.972 3.068 917 HE2 HIS 112 HE2 HIS 112 -18.595 34.781 1.403 Start of MODEL 20 1 H1 MET 1 H1 MET 1 19.166 10.535 8.996 2 H2 MET 1 H2 MET 1 18.419 10.525 7.470 3 H3 MET 1 H3 MET 1 18.359 9.146 8.452 4 HA MET 1 HA MET 1 17.035 10.302 10.077 5 HB2 MET 1 HB2 MET 1 16.132 12.540 9.536 6 HB3 MET 1 HB3 MET 1 17.879 12.555 9.722 7 HG2 MET 1 HG2 MET 1 18.139 12.560 7.292 8 HG3 MET 1 HG3 MET 1 16.385 12.546 7.108 9 HE1 MET 1 HE1 MET 1 16.462 14.651 5.548 10 HE2 MET 1 HE2 MET 1 18.219 14.721 5.677 11 HE3 MET 1 HE3 MET 1 17.256 16.169 5.965 12 H ASN 2 H ASN 2 16.435 8.271 8.730 13 HA ASN 2 HA ASN 2 14.934 7.062 7.558 14 HB2 ASN 2 HB2 ASN 2 13.239 9.575 7.475 15 HB3 ASN 2 HB3 ASN 2 12.697 7.943 7.093 16 HD21 ASN 2 HD21 ASN 2 13.433 10.202 9.569 17 HD22 ASN 2 HD22 ASN 2 12.892 9.244 10.902 18 H ASN 3 H ASN 3 16.293 6.770 5.848 19 HA ASN 3 HA ASN 3 16.714 8.724 3.827 20 HB2 ASN 3 HB2 ASN 3 17.236 5.744 3.849 21 HB3 ASN 3 HB3 ASN 3 17.772 6.835 2.573 22 HD21 ASN 3 HD21 ASN 3 19.262 5.127 4.456 23 HD22 ASN 3 HD22 ASN 3 20.370 6.196 5.255 24 HA PRO 4 HA PRO 4 13.162 7.963 1.258 25 HB2 PRO 4 HB2 PRO 4 14.796 8.916 -0.984 26 HB3 PRO 4 HB3 PRO 4 13.342 9.629 -0.280 27 HG2 PRO 4 HG2 PRO 4 15.780 10.749 0.016 28 HG3 PRO 4 HG3 PRO 4 14.530 10.850 1.270 29 HD2 PRO 4 HD2 PRO 4 16.921 9.053 1.113 30 HD3 PRO 4 HD3 PRO 4 16.243 9.911 2.513 31 H SER 5 H SER 5 12.956 5.809 1.060 32 HA SER 5 HA SER 5 13.072 3.721 0.222 33 HB2 SER 5 HB2 SER 5 14.656 4.943 -2.053 34 HB3 SER 5 HB3 SER 5 13.898 3.352 -2.048 35 HG SER 5 HG SER 5 12.392 5.694 -1.587 36 H ASP 6 H ASP 6 14.404 3.360 2.149 37 HA ASP 6 HA ASP 6 17.245 2.983 1.695 38 HB2 ASP 6 HB2 ASP 6 16.052 3.604 3.940 39 HB3 ASP 6 HB3 ASP 6 15.753 1.875 4.062 40 H PHE 7 H PHE 7 14.638 1.506 0.702 41 HA PHE 7 HA PHE 7 15.998 -1.055 0.353 42 HB2 PHE 7 HB2 PHE 7 13.079 -0.444 0.821 43 HB3 PHE 7 HB3 PHE 7 13.603 -1.927 0.052 44 HD1 PHE 7 HD2 PHE 7 13.494 -0.031 3.166 45 HD2 PHE 7 HD1 PHE 7 14.723 -3.658 1.313 46 HE1 PHE 7 HE2 PHE 7 13.820 -1.048 5.383 47 HE2 PHE 7 HE1 PHE 7 15.051 -4.683 3.526 48 HZ PHE 7 HZ PHE 7 14.596 -3.377 5.564 49 H LYS 8 H LYS 8 15.630 -1.987 -1.785 50 HA LYS 8 HA LYS 8 15.794 0.004 -3.784 51 HB2 LYS 8 HB2 LYS 8 15.840 -1.932 -5.365 52 HB3 LYS 8 HB3 LYS 8 17.037 -1.958 -4.096 53 HG2 LYS 8 HG2 LYS 8 16.343 -4.154 -4.245 54 HG3 LYS 8 HG3 LYS 8 15.452 -3.525 -2.861 55 HD2 LYS 8 HD2 LYS 8 13.444 -3.407 -4.088 56 HD3 LYS 8 HD3 LYS 8 14.286 -3.583 -5.631 57 HE2 LYS 8 HE2 LYS 8 14.774 -5.856 -5.215 58 HE3 LYS 8 HE3 LYS 8 14.317 -5.720 -3.518 59 HZ1 LYS 8 HZ1 LYS 8 12.671 -6.851 -4.967 60 HZ2 LYS 8 HZ2 LYS 8 12.401 -5.375 -5.761 61 HZ3 LYS 8 HZ3 LYS 8 12.051 -5.528 -4.103 62 H SER 9 H SER 9 13.156 -1.783 -2.522 63 HA SER 9 HA SER 9 11.397 -0.218 -4.275 64 HB2 SER 9 HB2 SER 9 11.516 -2.478 -5.261 65 HB3 SER 9 HB3 SER 9 11.014 -3.172 -3.721 66 HG SER 9 HG SER 9 9.476 -2.309 -5.673 67 H PHE 10 H PHE 10 9.349 0.276 -3.366 68 HA PHE 10 HA PHE 10 9.258 0.483 -0.552 69 HB2 PHE 10 HB2 PHE 10 7.051 0.802 -2.607 70 HB3 PHE 10 HB3 PHE 10 6.879 1.187 -0.899 71 HD1 PHE 10 HD2 PHE 10 8.392 2.961 0.089 72 HD2 PHE 10 HD1 PHE 10 7.971 2.348 -4.101 73 HE1 PHE 10 HE2 PHE 10 9.293 5.212 -0.325 74 HE2 PHE 10 HE1 PHE 10 8.875 4.599 -4.524 75 HZ PHE 10 HZ PHE 10 9.536 6.033 -2.634 76 H HIS 11 H HIS 11 8.161 -1.891 -2.838 77 HA HIS 11 HA HIS 11 6.437 -3.415 -1.260 78 HB2 HIS 11 HB2 HIS 11 6.609 -3.997 -3.554 79 HB3 HIS 11 HB3 HIS 11 8.360 -4.145 -3.469 80 HD1 HIS 11 HD1 HIS 11 5.199 -5.999 -2.597 81 HD2 HIS 11 HD2 HIS 11 9.303 -6.637 -2.714 82 HE1 HIS 11 HE1 HIS 11 5.507 -8.473 -2.290 83 HE2 HIS 11 HE2 HIS 11 7.982 -8.848 -2.565 84 H ASP 12 H ASP 12 9.935 -3.326 -1.426 85 HA ASP 12 HA ASP 12 10.423 -5.557 0.249 86 HB2 ASP 12 HB2 ASP 12 12.098 -3.227 -0.667 87 HB3 ASP 12 HB3 ASP 12 12.741 -4.462 0.400 88 H PHE 13 H PHE 13 10.125 -2.098 0.818 89 HA PHE 13 HA PHE 13 10.804 -2.200 3.577 90 HB2 PHE 13 HB2 PHE 13 10.915 -0.118 2.256 91 HB3 PHE 13 HB3 PHE 13 9.163 -0.139 2.085 92 HD1 PHE 13 HD2 PHE 13 11.903 0.112 4.560 93 HD2 PHE 13 HD1 PHE 13 7.782 0.781 3.743 94 HE1 PHE 13 HE2 PHE 13 11.696 1.374 6.660 95 HE2 PHE 13 HE1 PHE 13 7.567 2.045 5.845 96 HZ PHE 13 HZ PHE 13 9.528 2.343 7.304 97 H VAL 14 H VAL 14 7.730 -2.169 1.807 98 HA VAL 14 HA VAL 14 6.012 -2.225 4.017 99 HB VAL 14 HB VAL 14 5.558 -3.447 1.286 100 HG11 VAL 14 HG11 VAL 14 3.170 -3.257 1.812 101 HG12 VAL 14 HG12 VAL 14 3.576 -2.709 3.438 102 HG13 VAL 14 HG13 VAL 14 4.000 -4.341 2.927 103 HG21 VAL 14 HG21 VAL 14 6.048 -1.073 1.151 104 HG22 VAL 14 HG22 VAL 14 4.823 -0.735 2.376 105 HG23 VAL 14 HG23 VAL 14 4.345 -1.371 0.802 106 H ALA 15 H ALA 15 7.446 -4.878 2.141 107 HA ALA 15 HA ALA 15 6.100 -7.006 3.326 108 HB1 ALA 15 HB1 ALA 15 7.444 -7.215 1.296 109 HB2 ALA 15 HB2 ALA 15 7.909 -8.413 2.505 110 HB3 ALA 15 HB3 ALA 15 8.914 -6.987 2.244 111 H SER 16 H SER 16 8.899 -5.220 4.444 112 HA SER 16 HA SER 16 9.786 -7.013 6.406 113 HB2 SER 16 HB2 SER 16 11.032 -4.990 5.558 114 HB3 SER 16 HB3 SER 16 9.950 -3.990 6.522 115 HG SER 16 HG SER 16 11.625 -4.302 7.851 116 H TYR 17 H TYR 17 7.491 -4.302 6.628 117 HA TYR 17 HA TYR 17 6.810 -4.941 9.351 118 HB2 TYR 17 HB2 TYR 17 6.614 -2.640 8.622 119 HB3 TYR 17 HB3 TYR 17 5.511 -3.100 7.331 120 HD1 TYR 17 HD2 TYR 17 5.844 -2.966 11.032 121 HD2 TYR 17 HD1 TYR 17 3.197 -3.184 7.707 122 HE1 TYR 17 HE2 TYR 17 3.930 -2.611 12.537 123 HE2 TYR 17 HE1 TYR 17 1.280 -2.834 9.202 124 HH TYR 17 HH TYR 17 1.628 -1.832 12.457 125 H MET 18 H MET 18 5.522 -5.554 6.167 126 HA MET 18 HA MET 18 2.958 -6.434 6.783 127 HB2 MET 18 HB2 MET 18 3.756 -5.908 4.517 128 HB3 MET 18 HB3 MET 18 4.771 -7.342 4.538 129 HG2 MET 18 HG2 MET 18 2.827 -7.818 3.258 130 HG3 MET 18 HG3 MET 18 2.714 -8.714 4.771 131 HE1 MET 18 HE1 MET 18 0.300 -4.881 3.849 132 HE2 MET 18 HE2 MET 18 1.417 -5.639 2.714 133 HE3 MET 18 HE3 MET 18 2.035 -4.854 4.166 134 H LYS 19 H LYS 19 5.997 -8.278 6.661 135 HA LYS 19 HA LYS 19 4.802 -10.814 6.822 136 HB2 LYS 19 HB2 LYS 19 7.008 -11.682 7.357 137 HB3 LYS 19 HB3 LYS 19 7.080 -10.533 6.033 138 HG2 LYS 19 HG2 LYS 19 8.925 -10.008 7.331 139 HG3 LYS 19 HG3 LYS 19 7.721 -8.816 7.827 140 HD2 LYS 19 HD2 LYS 19 7.115 -10.556 9.645 141 HD3 LYS 19 HD3 LYS 19 8.706 -11.228 9.287 142 HE2 LYS 19 HE2 LYS 19 8.358 -8.317 9.849 143 HE3 LYS 19 HE3 LYS 19 8.456 -9.489 11.153 144 HZ1 LYS 19 HZ1 LYS 19 10.497 -9.192 9.018 145 HZ2 LYS 19 HZ2 LYS 19 10.618 -10.163 10.402 146 HZ3 LYS 19 HZ3 LYS 19 10.621 -8.476 10.548 147 H THR 20 H THR 20 5.251 -8.453 9.233 148 HA THR 20 HA THR 20 5.488 -10.022 11.525 149 HB THR 20 HB THR 20 3.935 -7.435 11.370 150 HG1 THR 20 HG1 THR 20 5.793 -6.756 10.541 151 HG21 THR 20 HG21 THR 20 5.603 -8.677 13.564 152 HG22 THR 20 HG22 THR 20 3.842 -8.599 13.523 153 HG23 THR 20 HG23 THR 20 4.787 -7.117 13.651 154 H TYR 21 H TYR 21 2.463 -8.583 10.208 155 HA TYR 21 HA TYR 21 0.920 -10.301 11.934 156 HB2 TYR 21 HB2 TYR 21 -0.837 -8.909 11.549 157 HB3 TYR 21 HB3 TYR 21 0.447 -7.809 11.092 158 HD1 TYR 21 HD1 TYR 21 0.903 -7.393 8.664 159 HD2 TYR 21 HD2 TYR 21 -2.439 -9.671 9.977 160 HE1 TYR 21 HE1 TYR 21 -0.158 -7.104 6.463 161 HE2 TYR 21 HE2 TYR 21 -3.505 -9.394 7.782 162 HH TYR 21 HH TYR 21 -3.404 -7.800 5.865 163 H SER 22 H SER 22 1.973 -10.250 8.626 164 HA SER 22 HA SER 22 0.064 -12.079 7.594 165 HB2 SER 22 HB2 SER 22 2.863 -11.470 6.624 166 HB3 SER 22 HB3 SER 22 1.629 -12.338 5.710 167 HG SER 22 HG SER 22 1.702 -9.618 6.464 168 H ARG 23 H ARG 23 2.800 -12.453 9.596 169 HA ARG 23 HA ARG 23 3.484 -15.133 9.063 170 HB2 ARG 23 HB2 ARG 23 4.632 -13.295 10.534 171 HB3 ARG 23 HB3 ARG 23 3.598 -13.917 11.809 172 HG2 ARG 23 HG2 ARG 23 5.454 -15.682 10.245 173 HG3 ARG 23 HG3 ARG 23 5.969 -14.804 11.683 174 HD2 ARG 23 HD2 ARG 23 3.992 -15.924 12.854 175 HD3 ARG 23 HD3 ARG 23 3.929 -16.993 11.453 176 HE ARG 23 HE ARG 23 6.420 -16.704 12.991 177 HH11 ARG 23 HH11 ARG 23 3.829 -18.713 11.741 178 HH12 ARG 23 HH12 ARG 23 4.546 -20.192 12.290 179 HH21 ARG 23 HH21 ARG 23 7.338 -18.630 13.754 180 HH22 ARG 23 HH22 ARG 23 6.557 -20.155 13.428 181 H ARG 24 H ARG 24 0.828 -13.643 10.695 182 HA ARG 24 HA ARG 24 -0.041 -16.229 11.784 183 HB2 ARG 24 HB2 ARG 24 -0.880 -13.410 12.470 184 HB3 ARG 24 HB3 ARG 24 -1.650 -14.850 13.123 185 HG2 ARG 24 HG2 ARG 24 0.483 -15.528 14.114 186 HG3 ARG 24 HG3 ARG 24 1.227 -14.054 13.492 187 HD2 ARG 24 HD2 ARG 24 -0.290 -12.704 14.822 188 HD3 ARG 24 HD3 ARG 24 -1.098 -14.159 15.405 189 HE ARG 24 HE ARG 24 1.602 -14.422 16.018 190 HH11 ARG 24 HH11 ARG 24 -1.045 -12.287 16.867 191 HH12 ARG 24 HH12 ARG 24 -0.438 -11.976 18.462 192 HH21 ARG 24 HH21 ARG 24 2.416 -13.987 18.073 193 HH22 ARG 24 HH22 ARG 24 1.552 -12.931 19.153 194 H LEU 25 H LEU 25 -0.258 -15.122 8.956 195 HA LEU 25 HA LEU 25 -3.156 -15.286 8.647 196 HB2 LEU 25 HB2 LEU 25 -0.984 -14.499 6.705 197 HB3 LEU 25 HB3 LEU 25 -2.676 -14.624 6.299 198 HG LEU 25 HG LEU 25 -1.425 -12.652 8.191 199 HD11 LEU 25 HD11 LEU 25 -2.169 -10.999 6.568 200 HD12 LEU 25 HD12 LEU 25 -2.816 -12.282 5.547 201 HD13 LEU 25 HD13 LEU 25 -1.078 -12.170 5.825 202 HD21 LEU 25 HD21 LEU 25 -3.647 -11.702 8.455 203 HD22 LEU 25 HD22 LEU 25 -3.620 -13.375 9.010 204 HD23 LEU 25 HD23 LEU 25 -4.326 -12.978 7.446 205 H GLU 26 H GLU 26 -3.913 -16.642 6.850 206 HA GLU 26 HA GLU 26 -2.566 -19.176 6.720 207 HB2 GLU 26 HB2 GLU 26 -5.039 -18.087 5.388 208 HB3 GLU 26 HB3 GLU 26 -4.435 -19.710 5.119 209 HG2 GLU 26 HG2 GLU 26 -4.692 -20.193 7.504 210 HG3 GLU 26 HG3 GLU 26 -5.327 -18.567 7.744 211 H ILE 27 H ILE 27 -2.178 -20.204 4.587 212 HA ILE 27 HA ILE 27 -0.334 -18.735 3.068 213 HB ILE 27 HB ILE 27 -1.845 -21.244 2.319 214 HG12 ILE 27 HG12 ILE 27 -0.458 -21.501 4.312 215 HG13 ILE 27 HG13 ILE 27 0.246 -22.382 2.961 216 HG21 ILE 27 HG21 ILE 27 -1.000 -20.120 0.323 217 HG22 ILE 27 HG22 ILE 27 -0.120 -21.614 0.640 218 HG23 ILE 27 HG23 ILE 27 0.610 -20.060 1.037 219 HD11 ILE 27 HD11 ILE 27 1.954 -21.243 4.248 220 HD12 ILE 27 HD12 ILE 27 1.147 -19.700 3.985 221 HD13 ILE 27 HD13 ILE 27 1.850 -20.568 2.621 222 H GLY 28 H GLY 28 -3.747 -19.483 2.464 223 HA2 GLY 28 HA2 GLY 28 -3.890 -18.285 -0.090 224 HA3 GLY 28 HA3 GLY 28 -5.252 -18.603 0.975 225 H THR 29 H THR 29 -4.265 -16.985 3.154 226 HA THR 29 HA THR 29 -5.273 -14.452 2.281 227 HB THR 29 HB THR 29 -4.065 -15.189 4.954 228 HG1 THR 29 HG1 THR 29 -6.838 -14.994 4.565 229 HG21 THR 29 HG21 THR 29 -5.417 -13.306 5.789 230 HG22 THR 29 HG22 THR 29 -5.909 -12.937 4.136 231 HG23 THR 29 HG23 THR 29 -4.216 -12.782 4.609 232 H PHE 30 H PHE 30 -2.132 -15.605 3.509 233 HA PHE 30 HA PHE 30 -0.694 -13.229 3.253 234 HB2 PHE 30 HB2 PHE 30 -0.019 -15.561 4.226 235 HB3 PHE 30 HB3 PHE 30 0.528 -15.900 2.592 236 HD1 PHE 30 HD2 PHE 30 1.358 -12.826 2.251 237 HD2 PHE 30 HD1 PHE 30 2.241 -15.905 5.053 238 HE1 PHE 30 HE2 PHE 30 3.503 -11.738 2.767 239 HE2 PHE 30 HE1 PHE 30 4.385 -14.821 5.572 240 HZ PHE 30 HZ PHE 30 5.019 -12.738 4.428 241 H ARG 31 H ARG 31 -1.187 -15.854 0.895 242 HA ARG 31 HA ARG 31 0.334 -14.658 -1.171 243 HB2 ARG 31 HB2 ARG 31 -0.421 -17.119 -0.870 244 HB3 ARG 31 HB3 ARG 31 -1.900 -16.600 -1.668 245 HG2 ARG 31 HG2 ARG 31 -0.610 -15.883 -3.602 246 HG3 ARG 31 HG3 ARG 31 0.879 -16.380 -2.800 247 HD2 ARG 31 HD2 ARG 31 0.183 -18.678 -2.802 248 HD3 ARG 31 HD3 ARG 31 -1.413 -18.241 -3.409 249 HE ARG 31 HE ARG 31 0.279 -17.290 -5.314 250 HH11 ARG 31 HH11 ARG 31 -0.070 -20.432 -3.778 251 HH12 ARG 31 HH12 ARG 31 0.373 -21.311 -5.213 252 HH21 ARG 31 HH21 ARG 31 0.900 -18.478 -7.187 253 HH22 ARG 31 HH22 ARG 31 0.937 -20.217 -7.114 254 H HIS 32 H HIS 32 -2.853 -14.136 -0.039 255 HA HIS 32 HA HIS 32 -4.156 -13.258 -2.355 256 HB2 HIS 32 HB2 HIS 32 -5.265 -13.737 -0.179 257 HB3 HIS 32 HB3 HIS 32 -4.566 -12.264 0.478 258 HD1 HIS 32 HD1 HIS 32 -6.575 -10.831 0.820 259 HD2 HIS 32 HD2 HIS 32 -6.496 -12.578 -2.955 260 HE1 HIS 32 HE1 HIS 32 -8.501 -9.812 -0.444 261 HE2 HIS 32 HE2 HIS 32 -8.551 -11.043 -2.650 262 H HIS 33 H HIS 33 -1.715 -11.751 -0.433 263 HA HIS 33 HA HIS 33 -1.837 -9.438 -2.230 264 HB2 HIS 33 HB2 HIS 33 -1.114 -7.958 -0.344 265 HB3 HIS 33 HB3 HIS 33 -2.746 -8.583 -0.185 266 HD1 HIS 33 HD1 HIS 33 0.717 -9.056 1.246 267 HD2 HIS 33 HD2 HIS 33 -3.239 -9.956 2.133 268 HE1 HIS 33 HE1 HIS 33 0.734 -9.907 3.613 269 HE2 HIS 33 HE2 HIS 33 -1.698 -10.189 4.196 270 H LYS 34 H LYS 34 -0.286 -11.735 -2.548 271 HA LYS 34 HA LYS 34 2.439 -10.976 -1.834 272 HB2 LYS 34 HB2 LYS 34 1.146 -13.387 -3.046 273 HB3 LYS 34 HB3 LYS 34 2.862 -13.128 -3.276 274 HG2 LYS 34 HG2 LYS 34 1.676 -13.101 -0.533 275 HG3 LYS 34 HG3 LYS 34 2.051 -14.623 -1.344 276 HD2 LYS 34 HD2 LYS 34 4.390 -13.695 -1.695 277 HD3 LYS 34 HD3 LYS 34 3.943 -12.413 -0.566 278 HE2 LYS 34 HE2 LYS 34 3.472 -14.058 1.153 279 HE3 LYS 34 HE3 LYS 34 3.826 -15.366 0.028 280 HZ1 LYS 34 HZ1 LYS 34 5.758 -13.344 1.040 281 HZ2 LYS 34 HZ2 LYS 34 6.117 -14.534 -0.116 282 HZ3 LYS 34 HZ3 LYS 34 5.696 -14.986 1.461 283 H SER 35 H SER 35 0.935 -12.110 -4.857 284 HA SER 35 HA SER 35 3.065 -11.089 -6.430 285 HB2 SER 35 HB2 SER 35 0.379 -12.071 -7.401 286 HB3 SER 35 HB3 SER 35 1.907 -12.067 -8.283 287 HG SER 35 HG SER 35 2.708 -13.536 -6.654 288 H CYS 36 H CYS 36 0.093 -9.745 -5.363 289 HA CYS 36 HA CYS 36 -0.612 -8.028 -7.410 290 HB2 CYS 36 HB2 CYS 36 -0.783 -7.541 -4.431 291 HB3 CYS 36 HB3 CYS 36 -1.673 -6.652 -5.660 292 HG CYS 36 HG CYS 36 -2.426 -9.657 -6.349 293 H MET 37 H MET 37 1.411 -7.197 -4.594 294 HA MET 37 HA MET 37 2.146 -4.649 -5.597 295 HB2 MET 37 HB2 MET 37 3.591 -6.340 -3.551 296 HB3 MET 37 HB3 MET 37 3.784 -4.609 -3.789 297 HG2 MET 37 HG2 MET 37 1.466 -4.258 -3.096 298 HG3 MET 37 HG3 MET 37 1.277 -5.995 -2.856 299 HE1 MET 37 HE1 MET 37 3.884 -3.188 -0.294 300 HE2 MET 37 HE2 MET 37 2.765 -2.667 -1.554 301 HE3 MET 37 HE3 MET 37 4.252 -3.508 -1.987 302 H ARG 38 H ARG 38 3.325 -7.824 -6.165 303 HA ARG 38 HA ARG 38 6.033 -7.202 -6.747 304 HB2 ARG 38 HB2 ARG 38 4.692 -9.484 -6.255 305 HB3 ARG 38 HB3 ARG 38 4.772 -9.573 -8.004 306 HG2 ARG 38 HG2 ARG 38 7.183 -9.197 -6.244 307 HG3 ARG 38 HG3 ARG 38 6.599 -10.766 -6.797 308 HD2 ARG 38 HD2 ARG 38 6.908 -10.064 -9.116 309 HD3 ARG 38 HD3 ARG 38 7.472 -8.485 -8.570 310 HE ARG 38 HE ARG 38 9.084 -10.388 -7.343 311 HH11 ARG 38 HH11 ARG 38 8.368 -9.305 -10.608 312 HH12 ARG 38 HH12 ARG 38 9.949 -9.718 -11.211 313 HH21 ARG 38 HH21 ARG 38 11.149 -10.912 -8.151 314 HH22 ARG 38 HH22 ARG 38 11.515 -10.628 -9.825 315 H LYS 39 H LYS 39 3.150 -7.644 -8.768 316 HA LYS 39 HA LYS 39 4.664 -7.354 -11.209 317 HB2 LYS 39 HB2 LYS 39 2.586 -7.687 -12.362 318 HB3 LYS 39 HB3 LYS 39 2.659 -8.825 -11.024 319 HG2 LYS 39 HG2 LYS 39 1.087 -7.614 -9.765 320 HG3 LYS 39 HG3 LYS 39 1.229 -6.197 -10.810 321 HD2 LYS 39 HD2 LYS 39 0.329 -7.629 -12.675 322 HD3 LYS 39 HD3 LYS 39 -0.028 -8.854 -11.457 323 HE2 LYS 39 HE2 LYS 39 -1.553 -7.423 -10.337 324 HE3 LYS 39 HE3 LYS 39 -1.033 -6.025 -11.277 325 HZ1 LYS 39 HZ1 LYS 39 -2.597 -8.360 -12.224 326 HZ2 LYS 39 HZ2 LYS 39 -1.885 -7.240 -13.275 327 HZ3 LYS 39 HZ3 LYS 39 -3.074 -6.732 -12.181 328 H PHE 40 H PHE 40 3.312 -5.189 -9.006 329 HA PHE 40 HA PHE 40 2.496 -3.180 -10.888 330 HB2 PHE 40 HB2 PHE 40 2.421 -3.579 -7.980 331 HB3 PHE 40 HB3 PHE 40 2.619 -1.911 -8.486 332 HD1 PHE 40 HD1 PHE 40 0.492 -4.902 -9.060 333 HD2 PHE 40 HD2 PHE 40 0.767 -0.659 -9.091 334 HE1 PHE 40 HE1 PHE 40 -1.929 -4.754 -9.470 335 HE2 PHE 40 HE2 PHE 40 -1.651 -0.502 -9.504 336 HZ PHE 40 HZ PHE 40 -3.004 -2.551 -9.692 337 H LYS 41 H LYS 41 5.458 -4.193 -10.208 338 HA LYS 41 HA LYS 41 6.686 -1.618 -9.742 339 HB2 LYS 41 HB2 LYS 41 7.520 -3.724 -8.603 340 HB3 LYS 41 HB3 LYS 41 8.098 -4.256 -10.174 341 HG2 LYS 41 HG2 LYS 41 8.968 -1.664 -8.909 342 HG3 LYS 41 HG3 LYS 41 9.811 -3.192 -8.650 343 HD2 LYS 41 HD2 LYS 41 10.380 -3.364 -10.954 344 HD3 LYS 41 HD3 LYS 41 9.295 -2.043 -11.387 345 HE2 LYS 41 HE2 LYS 41 10.724 -0.516 -10.039 346 HE3 LYS 41 HE3 LYS 41 11.844 -1.858 -9.791 347 HZ1 LYS 41 HZ1 LYS 41 12.555 -0.452 -11.621 348 HZ2 LYS 41 HZ2 LYS 41 11.085 -0.702 -12.421 349 HZ3 LYS 41 HZ3 LYS 41 12.152 -1.998 -12.187 350 H GLU 42 H GLU 42 6.140 -0.589 -11.629 351 HA GLU 42 HA GLU 42 7.721 -1.369 -13.960 352 HB2 GLU 42 HB2 GLU 42 5.767 0.888 -13.483 353 HB3 GLU 42 HB3 GLU 42 6.749 0.761 -14.933 354 HG2 GLU 42 HG2 GLU 42 4.715 -1.244 -13.994 355 HG3 GLU 42 HG3 GLU 42 4.506 -0.089 -15.308 356 H TYR 43 H TYR 43 7.207 1.602 -12.076 357 HA TYR 43 HA TYR 43 10.109 1.947 -11.886 358 HB2 TYR 43 HB2 TYR 43 8.170 4.002 -12.947 359 HB3 TYR 43 HB3 TYR 43 9.757 4.432 -12.318 360 HD1 TYR 43 HD1 TYR 43 11.755 3.040 -13.379 361 HD2 TYR 43 HD2 TYR 43 7.965 3.644 -15.215 362 HE1 TYR 43 HE1 TYR 43 12.756 2.593 -15.578 363 HE2 TYR 43 HE2 TYR 43 8.957 3.195 -17.419 364 HH TYR 43 HH TYR 43 11.276 3.355 -18.462 365 H CYS 44 H CYS 44 10.462 1.900 -9.770 366 HA CYS 44 HA CYS 44 8.628 3.270 -7.963 367 HB2 CYS 44 HB2 CYS 44 10.393 2.401 -6.243 368 HB3 CYS 44 HB3 CYS 44 9.269 1.264 -6.981 369 HG CYS 44 HG CYS 44 12.603 1.635 -7.572 370 H GLU 45 H GLU 45 9.003 5.337 -8.774 371 HA GLU 45 HA GLU 45 11.590 6.450 -9.113 372 HB2 GLU 45 HB2 GLU 45 9.145 7.028 -10.081 373 HB3 GLU 45 HB3 GLU 45 9.231 8.227 -8.798 374 HG2 GLU 45 HG2 GLU 45 11.174 9.217 -9.745 375 HG3 GLU 45 HG3 GLU 45 11.349 7.903 -10.907 376 H GLY 46 H GLY 46 11.874 8.786 -8.062 377 HA2 GLY 46 HA2 GLY 46 12.352 8.306 -5.289 378 HA3 GLY 46 HA3 GLY 46 12.704 9.784 -6.175 379 H LEU 47 H LEU 47 10.252 7.977 -4.511 380 HA LEU 47 HA LEU 47 8.392 10.190 -4.481 381 HB2 LEU 47 HB2 LEU 47 7.694 7.800 -4.657 382 HB3 LEU 47 HB3 LEU 47 8.282 7.542 -3.030 383 HG LEU 47 HG LEU 47 6.213 9.652 -3.445 384 HD11 LEU 47 HD11 LEU 47 4.439 7.978 -3.296 385 HD12 LEU 47 HD12 LEU 47 5.641 6.691 -3.387 386 HD13 LEU 47 HD13 LEU 47 5.391 7.763 -4.765 387 HD21 LEU 47 HD21 LEU 47 7.205 9.270 -1.232 388 HD22 LEU 47 HD22 LEU 47 6.685 7.586 -1.295 389 HD23 LEU 47 HD23 LEU 47 5.485 8.877 -1.250 390 H GLN 48 H GLN 48 8.915 11.867 -3.216 391 HA GLN 48 HA GLN 48 10.249 11.513 -0.683 392 HB2 GLN 48 HB2 GLN 48 9.210 13.907 -2.169 393 HB3 GLN 48 HB3 GLN 48 9.702 14.038 -0.495 394 HG2 GLN 48 HG2 GLN 48 11.527 14.742 -1.813 395 HG3 GLN 48 HG3 GLN 48 11.942 13.159 -1.166 396 HE21 GLN 48 HE21 GLN 48 12.184 11.440 -2.550 397 HE22 GLN 48 HE22 GLN 48 12.211 11.617 -4.270 398 H PHE 49 H PHE 49 9.225 12.961 1.157 399 HA PHE 49 HA PHE 49 7.055 11.513 2.137 400 HB2 PHE 49 HB2 PHE 49 7.011 13.132 3.973 401 HB3 PHE 49 HB3 PHE 49 8.658 12.669 3.574 402 HD1 PHE 49 HD1 PHE 49 10.059 14.259 2.189 403 HD2 PHE 49 HD2 PHE 49 6.358 15.382 3.968 404 HE1 PHE 49 HE1 PHE 49 10.687 16.629 1.992 405 HE2 PHE 49 HE2 PHE 49 6.982 17.752 3.771 406 HZ PHE 49 HZ PHE 49 9.146 18.379 2.782 407 H HIS 50 H HIS 50 7.137 14.659 0.539 408 HA HIS 50 HA HIS 50 4.262 14.959 0.898 409 HB2 HIS 50 HB2 HIS 50 5.802 16.903 1.227 410 HB3 HIS 50 HB3 HIS 50 6.183 16.847 -0.491 411 HD1 HIS 50 HD1 HIS 50 3.127 17.311 1.750 412 HD2 HIS 50 HD2 HIS 50 4.521 18.358 -2.036 413 HE1 HIS 50 HE1 HIS 50 1.408 18.876 0.797 414 HE2 HIS 50 HE2 HIS 50 2.170 19.335 -1.559 415 H GLU 51 H GLU 51 5.968 13.146 -1.103 416 HA GLU 51 HA GLU 51 4.480 13.784 -3.527 417 HB2 GLU 51 HB2 GLU 51 6.517 11.647 -2.895 418 HB3 GLU 51 HB3 GLU 51 5.667 11.743 -4.431 419 HG2 GLU 51 HG2 GLU 51 7.342 13.971 -3.308 420 HG3 GLU 51 HG3 GLU 51 7.950 12.750 -4.423 421 H LEU 52 H LEU 52 4.407 11.687 -0.802 422 HA LEU 52 HA LEU 52 2.283 10.023 -1.884 423 HB2 LEU 52 HB2 LEU 52 4.223 9.430 -0.154 424 HB3 LEU 52 HB3 LEU 52 3.062 10.036 1.007 425 HG LEU 52 HG LEU 52 2.970 7.608 0.853 426 HD11 LEU 52 HD11 LEU 52 0.533 8.923 -0.319 427 HD12 LEU 52 HD12 LEU 52 0.916 8.765 1.397 428 HD13 LEU 52 HD13 LEU 52 0.584 7.328 0.430 429 HD21 LEU 52 HD21 LEU 52 3.739 7.336 -1.431 430 HD22 LEU 52 HD22 LEU 52 2.239 8.045 -2.033 431 HD23 LEU 52 HD23 LEU 52 2.205 6.501 -1.182 432 H THR 53 H THR 53 0.631 11.528 -2.249 433 HA THR 53 HA THR 53 -0.453 12.868 0.147 434 HB THR 53 HB THR 53 -1.258 14.670 -1.356 435 HG1 THR 53 HG1 THR 53 0.445 14.122 -3.426 436 HG21 THR 53 HG21 THR 53 1.726 14.213 -1.477 437 HG22 THR 53 HG22 THR 53 0.846 14.986 -0.157 438 HG23 THR 53 HG23 THR 53 0.910 15.755 -1.745 439 H GLU 54 H GLU 54 -2.798 13.619 -0.339 440 HA GLU 54 HA GLU 54 -4.461 11.425 -0.910 441 HB2 GLU 54 HB2 GLU 54 -5.254 13.283 0.437 442 HB3 GLU 54 HB3 GLU 54 -5.054 14.395 -0.910 443 HG2 GLU 54 HG2 GLU 54 -6.798 13.182 -2.145 444 HG3 GLU 54 HG3 GLU 54 -7.012 12.114 -0.760 445 H ASP 55 H ASP 55 -3.270 14.084 -2.873 446 HA ASP 55 HA ASP 55 -4.762 13.611 -5.199 447 HB2 ASP 55 HB2 ASP 55 -3.464 15.657 -4.917 448 HB3 ASP 55 HB3 ASP 55 -1.965 14.735 -4.901 449 H PHE 56 H PHE 56 -1.630 12.357 -4.131 450 HA PHE 56 HA PHE 56 -1.050 10.794 -6.375 451 HB2 PHE 56 HB2 PHE 56 0.585 11.273 -4.595 452 HB3 PHE 56 HB3 PHE 56 -0.328 10.262 -3.482 453 HD1 PHE 56 HD2 PHE 56 1.895 10.295 -6.387 454 HD2 PHE 56 HD1 PHE 56 -0.241 7.848 -3.630 455 HE1 PHE 56 HE2 PHE 56 3.200 8.339 -7.113 456 HE2 PHE 56 HE1 PHE 56 1.063 5.892 -4.352 457 HZ PHE 56 HZ PHE 56 2.786 6.136 -6.094 458 H LEU 57 H LEU 57 -2.656 9.865 -3.325 459 HA LEU 57 HA LEU 57 -3.219 7.213 -3.993 460 HB2 LEU 57 HB2 LEU 57 -4.410 9.200 -2.113 461 HB3 LEU 57 HB3 LEU 57 -5.267 7.699 -2.397 462 HG LEU 57 HG LEU 57 -3.827 7.690 -0.370 463 HD11 LEU 57 HD11 LEU 57 -2.808 5.499 -0.804 464 HD12 LEU 57 HD12 LEU 57 -3.099 5.723 -2.529 465 HD13 LEU 57 HD13 LEU 57 -4.461 5.602 -1.415 466 HD21 LEU 57 HD21 LEU 57 -1.560 7.760 -2.346 467 HD22 LEU 57 HD22 LEU 57 -1.420 7.485 -0.610 468 HD23 LEU 57 HD23 LEU 57 -1.984 9.043 -1.213 469 H ARG 58 H ARG 58 -5.075 10.159 -4.550 470 HA ARG 58 HA ARG 58 -7.393 8.936 -5.579 471 HB2 ARG 58 HB2 ARG 58 -7.293 11.261 -4.755 472 HB3 ARG 58 HB3 ARG 58 -6.290 11.694 -6.131 473 HG2 ARG 58 HG2 ARG 58 -8.121 11.170 -7.647 474 HG3 ARG 58 HG3 ARG 58 -9.129 10.702 -6.274 475 HD2 ARG 58 HD2 ARG 58 -8.880 12.987 -5.367 476 HD3 ARG 58 HD3 ARG 58 -7.974 13.433 -6.812 477 HE ARG 58 HE ARG 58 -10.231 12.526 -7.895 478 HH11 ARG 58 HH11 ARG 58 -9.680 14.730 -5.223 479 HH12 ARG 58 HH12 ARG 58 -11.197 15.553 -5.432 480 HH21 ARG 58 HH21 ARG 58 -12.206 13.635 -8.179 481 HH22 ARG 58 HH22 ARG 58 -12.607 14.951 -7.124 482 H ASP 59 H ASP 59 -4.586 10.376 -7.223 483 HA ASP 59 HA ASP 59 -5.580 9.867 -9.838 484 HB2 ASP 59 HB2 ASP 59 -3.922 11.628 -9.325 485 HB3 ASP 59 HB3 ASP 59 -2.730 10.380 -8.972 486 H TYR 60 H TYR 60 -3.381 8.157 -7.690 487 HA TYR 60 HA TYR 60 -2.549 6.170 -9.520 488 HB2 TYR 60 HB2 TYR 60 -1.546 6.771 -7.236 489 HB3 TYR 60 HB3 TYR 60 -2.825 5.788 -6.534 490 HD1 TYR 60 HD2 TYR 60 0.056 5.660 -8.876 491 HD2 TYR 60 HD1 TYR 60 -2.565 3.461 -6.343 492 HE1 TYR 60 HE2 TYR 60 1.461 3.663 -9.161 493 HE2 TYR 60 HE1 TYR 60 -1.160 1.463 -6.618 494 HH TYR 60 HH TYR 60 1.942 1.562 -7.936 495 H LEU 61 H LEU 61 -5.254 6.441 -7.295 496 HA LEU 61 HA LEU 61 -6.388 3.898 -7.614 497 HB2 LEU 61 HB2 LEU 61 -7.110 5.397 -5.877 498 HB3 LEU 61 HB3 LEU 61 -7.620 6.594 -7.049 499 HG LEU 61 HG LEU 61 -9.364 4.953 -7.826 500 HD11 LEU 61 HD11 LEU 61 -8.516 3.504 -5.324 501 HD12 LEU 61 HD12 LEU 61 -8.363 2.916 -6.980 502 HD13 LEU 61 HD13 LEU 61 -9.961 3.153 -6.271 503 HD21 LEU 61 HD21 LEU 61 -10.864 5.409 -5.946 504 HD22 LEU 61 HD22 LEU 61 -9.903 6.827 -6.368 505 HD23 LEU 61 HD23 LEU 61 -9.480 5.863 -4.953 506 H ILE 62 H ILE 62 -7.099 6.950 -9.289 507 HA ILE 62 HA ILE 62 -8.985 5.930 -11.097 508 HB ILE 62 HB ILE 62 -7.125 8.287 -11.475 509 HG12 ILE 62 HG12 ILE 62 -8.502 8.516 -9.483 510 HG13 ILE 62 HG13 ILE 62 -9.079 9.612 -10.732 511 HG21 ILE 62 HG21 ILE 62 -9.686 7.602 -12.912 512 HG22 ILE 62 HG22 ILE 62 -8.062 7.527 -13.594 513 HG23 ILE 62 HG23 ILE 62 -8.745 9.081 -13.117 514 HD11 ILE 62 HD11 ILE 62 -10.306 6.967 -9.991 515 HD12 ILE 62 HD12 ILE 62 -10.889 8.055 -11.252 516 HD13 ILE 62 HD13 ILE 62 -10.924 8.560 -9.561 517 H TYR 63 H TYR 63 -5.469 6.336 -11.431 518 HA TYR 63 HA TYR 63 -5.215 5.446 -14.067 519 HB2 TYR 63 HB2 TYR 63 -3.367 6.506 -12.878 520 HB3 TYR 63 HB3 TYR 63 -3.283 5.152 -11.756 521 HD1 TYR 63 HD1 TYR 63 -2.820 6.082 -15.321 522 HD2 TYR 63 HD2 TYR 63 -1.983 3.256 -12.253 523 HE1 TYR 63 HE1 TYR 63 -1.210 4.958 -16.802 524 HE2 TYR 63 HE2 TYR 63 -0.371 2.125 -13.724 525 HH TYR 63 HH TYR 63 0.739 3.506 -16.641 526 H MET 64 H MET 64 -5.179 3.635 -11.033 527 HA MET 64 HA MET 64 -4.642 1.101 -12.154 528 HB2 MET 64 HB2 MET 64 -4.401 1.724 -9.740 529 HB3 MET 64 HB3 MET 64 -6.156 1.721 -9.612 530 HG2 MET 64 HG2 MET 64 -6.213 -0.627 -10.206 531 HG3 MET 64 HG3 MET 64 -4.466 -0.628 -10.383 532 HE1 MET 64 HE1 MET 64 -4.121 1.551 -7.763 533 HE2 MET 64 HE2 MET 64 -2.931 0.338 -8.235 534 HE3 MET 64 HE3 MET 64 -3.547 0.371 -6.583 535 H LYS 65 H LYS 65 -7.630 2.629 -11.111 536 HA LYS 65 HA LYS 65 -9.435 0.628 -11.807 537 HB2 LYS 65 HB2 LYS 65 -9.804 2.782 -10.459 538 HB3 LYS 65 HB3 LYS 65 -10.026 3.581 -12.005 539 HG2 LYS 65 HG2 LYS 65 -11.683 1.236 -11.112 540 HG3 LYS 65 HG3 LYS 65 -12.120 2.913 -10.791 541 HD2 LYS 65 HD2 LYS 65 -12.112 3.349 -13.219 542 HD3 LYS 65 HD3 LYS 65 -11.746 1.646 -13.503 543 HE2 LYS 65 HE2 LYS 65 -14.089 1.924 -13.800 544 HE3 LYS 65 HE3 LYS 65 -13.850 1.083 -12.269 545 HZ1 LYS 65 HZ1 LYS 65 -14.483 3.960 -12.644 546 HZ2 LYS 65 HZ2 LYS 65 -14.094 3.265 -11.150 547 HZ3 LYS 65 HZ3 LYS 65 -15.489 2.772 -11.974 548 H LYS 66 H LYS 66 -8.335 3.423 -13.752 549 HA LYS 66 HA LYS 66 -10.037 2.648 -15.946 550 HB2 LYS 66 HB2 LYS 66 -8.059 4.881 -15.562 551 HB3 LYS 66 HB3 LYS 66 -8.875 4.605 -17.093 552 HG2 LYS 66 HG2 LYS 66 -10.195 5.216 -14.457 553 HG3 LYS 66 HG3 LYS 66 -10.010 6.318 -15.824 554 HD2 LYS 66 HD2 LYS 66 -11.317 4.657 -17.193 555 HD3 LYS 66 HD3 LYS 66 -11.664 3.805 -15.688 556 HE2 LYS 66 HE2 LYS 66 -13.509 5.252 -16.214 557 HE3 LYS 66 HE3 LYS 66 -12.670 5.880 -14.796 558 HZ1 LYS 66 HZ1 LYS 66 -11.679 7.582 -16.067 559 HZ2 LYS 66 HZ2 LYS 66 -13.304 7.555 -16.547 560 HZ3 LYS 66 HZ3 LYS 66 -12.121 6.862 -17.536 561 H THR 67 H THR 67 -6.502 3.169 -15.742 562 HA THR 67 HA THR 67 -6.132 2.104 -18.366 563 HB THR 67 HB THR 67 -4.071 2.776 -16.260 564 HG1 THR 67 HG1 THR 67 -5.386 4.273 -18.294 565 HG21 THR 67 HG21 THR 67 -3.781 2.441 -19.253 566 HG22 THR 67 HG22 THR 67 -3.181 1.319 -18.032 567 HG23 THR 67 HG23 THR 67 -2.508 2.946 -18.140 568 H LEU 68 H LEU 68 -5.475 0.888 -15.093 569 HA LEU 68 HA LEU 68 -4.367 -1.573 -16.154 570 HB2 LEU 68 HB2 LEU 68 -5.009 -0.813 -13.306 571 HB3 LEU 68 HB3 LEU 68 -4.085 -2.216 -13.810 572 HG LEU 68 HG LEU 68 -3.259 0.664 -14.209 573 HD11 LEU 68 HD11 LEU 68 -3.145 0.008 -11.878 574 HD12 LEU 68 HD12 LEU 68 -1.525 0.150 -12.560 575 HD13 LEU 68 HD13 LEU 68 -2.241 -1.443 -12.310 576 HD21 LEU 68 HD21 LEU 68 -1.109 -0.300 -14.909 577 HD22 LEU 68 HD22 LEU 68 -2.427 -0.737 -15.996 578 HD23 LEU 68 HD23 LEU 68 -1.819 -1.912 -14.829 579 H CYS 69 H CYS 69 -7.403 -0.348 -15.343 580 HA CYS 69 HA CYS 69 -9.502 -1.191 -15.351 581 HB2 CYS 69 HB2 CYS 69 -8.691 -2.242 -17.481 582 HB3 CYS 69 HB3 CYS 69 -8.279 -3.683 -16.559 583 HG CYS 69 HG CYS 69 -11.144 -2.855 -17.913 584 H ASN 70 H ASN 70 -8.061 -1.415 -12.972 585 HA ASN 70 HA ASN 70 -8.831 -3.999 -11.851 586 HB2 ASN 70 HB2 ASN 70 -7.409 -1.627 -10.655 587 HB3 ASN 70 HB3 ASN 70 -7.933 -3.005 -9.701 588 HD21 ASN 70 HD21 ASN 70 -5.907 -3.628 -9.122 589 HD22 ASN 70 HD22 ASN 70 -4.763 -4.303 -10.229 590 H ALA 71 H ALA 71 -10.370 -4.252 -10.251 591 HA ALA 71 HA ALA 71 -12.576 -2.422 -10.384 592 HB1 ALA 71 HB1 ALA 71 -13.694 -4.008 -8.898 593 HB2 ALA 71 HB2 ALA 71 -12.172 -4.871 -8.671 594 HB3 ALA 71 HB3 ALA 71 -12.934 -4.831 -10.260 595 H ASP 72 H ASP 72 -13.675 -1.706 -8.339 596 HA ASP 72 HA ASP 72 -12.106 0.110 -6.958 597 HB2 ASP 72 HB2 ASP 72 -14.016 0.219 -5.311 598 HB3 ASP 72 HB3 ASP 72 -14.463 0.449 -6.994 599 H SER 73 H SER 73 -13.290 -3.028 -5.754 600 HA SER 73 HA SER 73 -12.016 -2.806 -3.251 601 HB2 SER 73 HB2 SER 73 -12.896 -5.303 -4.716 602 HB3 SER 73 HB3 SER 73 -12.545 -5.183 -2.990 603 HG SER 73 HG SER 73 -14.408 -3.382 -4.050 604 H THR 74 H THR 74 -10.948 -3.990 -6.351 605 HA THR 74 HA THR 74 -8.608 -5.317 -5.452 606 HB THR 74 HB THR 74 -8.980 -4.041 -8.167 607 HG1 THR 74 HG1 THR 74 -10.058 -6.003 -8.733 608 HG21 THR 74 HG21 THR 74 -7.549 -6.557 -7.288 609 HG22 THR 74 HG22 THR 74 -6.772 -5.020 -7.661 610 HG23 THR 74 HG23 THR 74 -7.613 -5.912 -8.927 611 H ALA 75 H ALA 75 -9.313 -2.040 -6.564 612 HA ALA 75 HA ALA 75 -6.625 -1.112 -6.433 613 HB1 ALA 75 HB1 ALA 75 -8.322 -0.024 -7.816 614 HB2 ALA 75 HB2 ALA 75 -7.594 1.111 -6.677 615 HB3 ALA 75 HB3 ALA 75 -9.201 0.453 -6.363 616 H GLN 76 H GLN 76 -9.389 -1.003 -4.237 617 HA GLN 76 HA GLN 76 -8.348 0.616 -2.240 618 HB2 GLN 76 HB2 GLN 76 -10.358 -1.626 -2.239 619 HB3 GLN 76 HB3 GLN 76 -9.974 -0.727 -0.787 620 HG2 GLN 76 HG2 GLN 76 -10.925 0.564 -3.318 621 HG3 GLN 76 HG3 GLN 76 -12.010 0.044 -2.030 622 HE21 GLN 76 HE21 GLN 76 -11.572 2.716 -3.054 623 HE22 GLN 76 HE22 GLN 76 -11.029 3.668 -1.721 624 H ARG 77 H ARG 77 -8.166 -2.926 -2.598 625 HA ARG 77 HA ARG 77 -6.808 -3.315 -0.141 626 HB2 ARG 77 HB2 ARG 77 -6.465 -5.591 -0.844 627 HB3 ARG 77 HB3 ARG 77 -8.085 -5.094 -1.304 628 HG2 ARG 77 HG2 ARG 77 -7.263 -4.702 -3.602 629 HG3 ARG 77 HG3 ARG 77 -5.696 -5.351 -3.109 630 HD2 ARG 77 HD2 ARG 77 -6.875 -7.442 -2.418 631 HD3 ARG 77 HD3 ARG 77 -8.344 -6.787 -3.135 632 HE ARG 77 HE ARG 77 -6.100 -6.836 -4.940 633 HH11 ARG 77 HH11 ARG 77 -8.857 -8.608 -3.693 634 HH12 ARG 77 HH12 ARG 77 -8.868 -9.761 -4.992 635 HH21 ARG 77 HH21 ARG 77 -6.128 -8.320 -6.664 636 HH22 ARG 77 HH22 ARG 77 -7.321 -9.583 -6.705 637 H ASN 78 H ASN 78 -5.714 -2.576 -3.378 638 HA ASN 78 HA ASN 78 -2.962 -3.134 -2.905 639 HB2 ASN 78 HB2 ASN 78 -4.363 -1.441 -4.970 640 HB3 ASN 78 HB3 ASN 78 -2.609 -1.572 -4.894 641 HD21 ASN 78 HD21 ASN 78 -4.411 -2.385 -7.010 642 HD22 ASN 78 HD22 ASN 78 -4.155 -4.080 -7.236 643 H LEU 79 H LEU 79 -4.869 -0.157 -2.904 644 HA LEU 79 HA LEU 79 -2.808 1.563 -2.070 645 HB2 LEU 79 HB2 LEU 79 -5.789 1.756 -1.655 646 HB3 LEU 79 HB3 LEU 79 -4.661 3.057 -1.335 647 HG LEU 79 HG LEU 79 -5.196 1.819 -4.038 648 HD11 LEU 79 HD11 LEU 79 -6.212 3.965 -4.575 649 HD12 LEU 79 HD12 LEU 79 -5.927 4.523 -2.927 650 HD13 LEU 79 HD13 LEU 79 -7.046 3.192 -3.225 651 HD21 LEU 79 HD21 LEU 79 -2.893 2.553 -3.856 652 HD22 LEU 79 HD22 LEU 79 -3.420 4.123 -3.250 653 HD23 LEU 79 HD23 LEU 79 -3.804 3.641 -4.904 654 H SER 80 H SER 80 -4.939 -0.566 -0.319 655 HA SER 80 HA SER 80 -4.595 0.318 2.279 656 HB2 SER 80 HB2 SER 80 -4.863 -2.509 1.242 657 HB3 SER 80 HB3 SER 80 -4.973 -2.072 2.947 658 HG SER 80 HG SER 80 -6.630 -1.031 0.876 659 H THR 81 H THR 81 -2.486 -1.917 0.447 660 HA THR 81 HA THR 81 -0.727 -2.443 2.576 661 HB THR 81 HB THR 81 0.890 -3.202 0.892 662 HG1 THR 81 HG1 THR 81 -0.940 -2.038 -0.964 663 HG21 THR 81 HG21 THR 81 -0.934 -4.704 1.525 664 HG22 THR 81 HG22 THR 81 -0.488 -4.931 -0.166 665 HG23 THR 81 HG23 THR 81 -1.945 -4.027 0.248 666 H ILE 82 H ILE 82 -0.796 0.104 0.176 667 HA ILE 82 HA ILE 82 1.716 1.271 0.781 668 HB ILE 82 HB ILE 82 -0.757 2.584 -0.373 669 HG12 ILE 82 HG12 ILE 82 1.603 1.314 -1.779 670 HG13 ILE 82 HG13 ILE 82 0.000 0.599 -1.647 671 HG21 ILE 82 HG21 ILE 82 0.870 4.201 0.440 672 HG22 ILE 82 HG22 ILE 82 0.803 4.211 -1.321 673 HG23 ILE 82 HG23 ILE 82 2.140 3.413 -0.495 674 HD11 ILE 82 HD11 ILE 82 0.672 3.170 -3.058 675 HD12 ILE 82 HD12 ILE 82 -0.932 2.443 -2.939 676 HD13 ILE 82 HD13 ILE 82 0.349 1.616 -3.825 677 H LYS 83 H LYS 83 -1.618 2.144 1.770 678 HA LYS 83 HA LYS 83 -0.823 4.259 3.448 679 HB2 LYS 83 HB2 LYS 83 -3.069 4.315 4.239 680 HB3 LYS 83 HB3 LYS 83 -3.112 3.984 2.523 681 HG2 LYS 83 HG2 LYS 83 -4.613 2.441 3.131 682 HG3 LYS 83 HG3 LYS 83 -3.183 1.474 3.505 683 HD2 LYS 83 HD2 LYS 83 -3.277 2.223 5.828 684 HD3 LYS 83 HD3 LYS 83 -4.689 3.217 5.456 685 HE2 LYS 83 HE2 LYS 83 -5.920 1.184 4.815 686 HE3 LYS 83 HE3 LYS 83 -4.517 0.213 5.259 687 HZ1 LYS 83 HZ1 LYS 83 -6.135 1.917 7.078 688 HZ2 LYS 83 HZ2 LYS 83 -4.730 1.086 7.535 689 HZ3 LYS 83 HZ3 LYS 83 -6.108 0.220 7.043 690 H ILE 84 H ILE 84 -1.047 0.816 4.034 691 HA ILE 84 HA ILE 84 -0.865 0.912 6.837 692 HB ILE 84 HB ILE 84 0.102 -1.159 4.868 693 HG12 ILE 84 HG12 ILE 84 -2.201 -1.141 6.830 694 HG13 ILE 84 HG13 ILE 84 -2.343 -0.841 5.102 695 HG21 ILE 84 HG21 ILE 84 0.112 -1.323 7.879 696 HG22 ILE 84 HG22 ILE 84 1.526 -1.321 6.822 697 HG23 ILE 84 HG23 ILE 84 0.398 -2.676 6.784 698 HD11 ILE 84 HD11 ILE 84 -3.004 -3.105 5.662 699 HD12 ILE 84 HD12 ILE 84 -1.419 -3.405 6.378 700 HD13 ILE 84 HD13 ILE 84 -1.563 -3.106 4.643 701 H TYR 85 H TYR 85 1.775 0.764 4.380 702 HA TYR 85 HA TYR 85 3.761 0.832 6.430 703 HB2 TYR 85 HB2 TYR 85 5.311 0.496 4.792 704 HB3 TYR 85 HB3 TYR 85 3.892 -0.080 3.947 705 HD1 TYR 85 HD1 TYR 85 6.320 2.683 4.212 706 HD2 TYR 85 HD2 TYR 85 3.072 1.058 1.999 707 HE1 TYR 85 HE1 TYR 85 6.811 4.230 2.369 708 HE2 TYR 85 HE2 TYR 85 3.554 2.607 0.150 709 HH TYR 85 HH TYR 85 4.670 4.788 -0.184 710 H VAL 86 H VAL 86 2.254 3.229 4.345 711 HA VAL 86 HA VAL 86 3.894 5.415 5.044 712 HB VAL 86 HB VAL 86 0.985 5.349 4.215 713 HG11 VAL 86 HG11 VAL 86 1.250 7.751 3.715 714 HG12 VAL 86 HG12 VAL 86 2.844 7.714 4.471 715 HG13 VAL 86 HG13 VAL 86 1.402 7.402 5.436 716 HG21 VAL 86 HG21 VAL 86 3.506 5.970 2.680 717 HG22 VAL 86 HG22 VAL 86 1.865 6.099 2.044 718 HG23 VAL 86 HG23 VAL 86 2.507 4.525 2.514 719 H SER 87 H SER 87 0.914 4.134 6.433 720 HA SER 87 HA SER 87 0.592 6.008 8.489 721 HB2 SER 87 HB2 SER 87 -0.390 3.263 7.891 722 HB3 SER 87 HB3 SER 87 -0.634 3.877 9.534 723 HG SER 87 HG SER 87 -1.687 4.749 7.088 724 H ALA 88 H ALA 88 2.432 2.979 8.368 725 HA ALA 88 HA ALA 88 3.232 2.983 11.082 726 HB1 ALA 88 HB1 ALA 88 3.416 1.009 9.625 727 HB2 ALA 88 HB2 ALA 88 4.953 1.404 10.394 728 HB3 ALA 88 HB3 ALA 88 4.682 1.819 8.702 729 H ALA 89 H ALA 89 4.527 4.453 8.176 730 HA ALA 89 HA ALA 89 6.926 5.457 9.304 731 HB1 ALA 89 HB1 ALA 89 6.603 5.188 6.887 732 HB2 ALA 89 HB2 ALA 89 7.083 6.832 7.311 733 HB3 ALA 89 HB3 ALA 89 5.400 6.480 6.913 734 H ILE 90 H ILE 90 3.656 6.504 9.439 735 HA ILE 90 HA ILE 90 4.262 9.208 10.176 736 HB ILE 90 HB ILE 90 1.696 7.647 10.552 737 HG12 ILE 90 HG12 ILE 90 2.390 9.630 8.379 738 HG13 ILE 90 HG13 ILE 90 2.523 7.885 8.183 739 HG21 ILE 90 HG21 ILE 90 2.206 10.621 10.643 740 HG22 ILE 90 HG22 ILE 90 1.794 9.588 12.013 741 HG23 ILE 90 HG23 ILE 90 0.622 9.848 10.721 742 HD11 ILE 90 HD11 ILE 90 0.461 8.739 7.226 743 HD12 ILE 90 HD12 ILE 90 -0.001 9.401 8.793 744 HD13 ILE 90 HD13 ILE 90 0.133 7.656 8.578 745 H LYS 91 H LYS 91 3.878 6.168 11.822 746 HA LYS 91 HA LYS 91 3.307 7.218 14.402 747 HB2 LYS 91 HB2 LYS 91 4.359 4.537 13.508 748 HB3 LYS 91 HB3 LYS 91 4.006 4.918 15.186 749 HG2 LYS 91 HG2 LYS 91 1.661 5.405 14.515 750 HG3 LYS 91 HG3 LYS 91 2.060 4.826 12.896 751 HD2 LYS 91 HD2 LYS 91 2.572 2.638 13.738 752 HD3 LYS 91 HD3 LYS 91 2.419 3.194 15.405 753 HE2 LYS 91 HE2 LYS 91 0.032 3.671 14.993 754 HE3 LYS 91 HE3 LYS 91 0.208 3.034 13.359 755 HZ1 LYS 91 HZ1 LYS 91 0.743 0.881 14.262 756 HZ2 LYS 91 HZ2 LYS 91 -0.722 1.405 14.926 757 HZ3 LYS 91 HZ3 LYS 91 0.703 1.479 15.845 758 H LYS 92 H LYS 92 6.295 6.096 12.845 759 HA LYS 92 HA LYS 92 7.836 7.860 14.526 760 HB2 LYS 92 HB2 LYS 92 7.494 5.700 15.834 761 HB3 LYS 92 HB3 LYS 92 8.480 4.917 14.607 762 HG2 LYS 92 HG2 LYS 92 10.297 6.547 15.152 763 HG3 LYS 92 HG3 LYS 92 9.308 7.085 16.516 764 HD2 LYS 92 HD2 LYS 92 9.263 4.742 17.328 765 HD3 LYS 92 HD3 LYS 92 10.385 4.309 16.037 766 HE2 LYS 92 HE2 LYS 92 11.959 6.025 16.958 767 HE3 LYS 92 HE3 LYS 92 10.866 6.202 18.330 768 HZ1 LYS 92 HZ1 LYS 92 12.555 4.684 18.946 769 HZ2 LYS 92 HZ2 LYS 92 12.377 3.784 17.525 770 HZ3 LYS 92 HZ3 LYS 92 11.154 3.766 18.696 771 H GLY 93 H GLY 93 7.664 8.316 12.024 772 HA2 GLY 93 HA2 GLY 93 10.228 7.355 10.943 773 HA3 GLY 93 HA3 GLY 93 8.791 7.329 9.932 774 H TYR 94 H TYR 94 8.045 9.198 9.022 775 HA TYR 94 HA TYR 94 9.443 11.692 9.554 776 HB2 TYR 94 HB2 TYR 94 10.829 10.272 7.934 777 HB3 TYR 94 HB3 TYR 94 9.538 10.535 6.770 778 HD1 TYR 94 HD1 TYR 94 12.167 12.203 8.757 779 HD2 TYR 94 HD2 TYR 94 9.323 12.619 5.616 780 HE1 TYR 94 HE1 TYR 94 13.209 14.333 8.101 781 HE2 TYR 94 HE2 TYR 94 10.359 14.750 4.956 782 HH TYR 94 HH TYR 94 11.738 16.520 5.966 783 H MET 95 H MET 95 6.985 9.871 7.875 784 HA MET 95 HA MET 95 5.673 11.966 6.557 785 HB2 MET 95 HB2 MET 95 4.657 9.331 7.627 786 HB3 MET 95 HB3 MET 95 3.683 10.425 6.665 787 HG2 MET 95 HG2 MET 95 6.268 9.193 5.758 788 HG3 MET 95 HG3 MET 95 4.664 8.572 5.372 789 HE1 MET 95 HE1 MET 95 2.904 9.835 3.862 790 HE2 MET 95 HE2 MET 95 3.172 11.431 3.159 791 HE3 MET 95 HE3 MET 95 2.992 11.254 4.903 792 H GLU 96 H GLU 96 4.488 13.588 7.289 793 HA GLU 96 HA GLU 96 4.189 14.237 9.988 794 HB2 GLU 96 HB2 GLU 96 3.958 15.850 8.064 795 HB3 GLU 96 HB3 GLU 96 2.397 15.149 7.728 796 HG2 GLU 96 HG2 GLU 96 1.702 15.800 10.035 797 HG3 GLU 96 HG3 GLU 96 3.224 16.679 10.178 798 H ASN 97 H ASN 97 1.938 12.768 7.720 799 HA ASN 97 HA ASN 97 -0.038 12.124 9.671 800 HB2 ASN 97 HB2 ASN 97 -0.080 14.587 9.723 801 HB3 ASN 97 HB3 ASN 97 -0.306 14.626 7.984 802 HD21 ASN 97 HD21 ASN 97 -2.092 15.836 8.215 803 HD22 ASN 97 HD22 ASN 97 -3.585 15.200 8.766 804 H ASP 98 H ASP 98 -2.052 11.314 8.499 805 HA ASP 98 HA ASP 98 -1.084 9.921 6.182 806 HB2 ASP 98 HB2 ASP 98 -3.365 8.813 6.312 807 HB3 ASP 98 HB3 ASP 98 -2.285 8.547 7.659 808 HA PRO 99 HA PRO 99 -3.342 12.332 3.180 809 HB2 PRO 99 HB2 PRO 99 -2.769 10.818 1.042 810 HB3 PRO 99 HB3 PRO 99 -1.530 11.805 1.822 811 HG2 PRO 99 HG2 PRO 99 -2.024 8.868 2.028 812 HG3 PRO 99 HG3 PRO 99 -0.486 9.747 1.947 813 HD2 PRO 99 HD2 PRO 99 -1.649 8.790 4.272 814 HD3 PRO 99 HD3 PRO 99 -0.436 10.081 4.198 815 H PHE 100 H PHE 100 -4.013 9.412 4.496 816 HA PHE 100 HA PHE 100 -6.264 8.655 2.796 817 HB2 PHE 100 HB2 PHE 100 -4.446 7.136 3.947 818 HB3 PHE 100 HB3 PHE 100 -5.491 7.297 5.348 819 HD1 PHE 100 HD2 PHE 100 -5.436 6.178 1.814 820 HD2 PHE 100 HD1 PHE 100 -7.388 5.952 5.591 821 HE1 PHE 100 HE2 PHE 100 -6.828 4.327 0.978 822 HE2 PHE 100 HE1 PHE 100 -8.784 4.100 4.763 823 HZ PHE 100 HZ PHE 100 -8.506 3.284 2.453 824 H LYS 101 H LYS 101 -5.832 10.929 4.924 825 HA LYS 101 HA LYS 101 -7.353 10.716 7.138 826 HB2 LYS 101 HB2 LYS 101 -6.432 12.852 5.359 827 HB3 LYS 101 HB3 LYS 101 -7.826 13.267 6.321 828 HG2 LYS 101 HG2 LYS 101 -5.131 12.413 7.279 829 HG3 LYS 101 HG3 LYS 101 -5.929 13.967 7.522 830 HD2 LYS 101 HD2 LYS 101 -7.542 12.983 8.991 831 HD3 LYS 101 HD3 LYS 101 -6.955 11.355 8.625 832 HE2 LYS 101 HE2 LYS 101 -4.777 11.947 9.574 833 HE3 LYS 101 HE3 LYS 101 -5.397 13.543 9.966 834 HZ1 LYS 101 HZ1 LYS 101 -6.338 10.957 11.067 835 HZ2 LYS 101 HZ2 LYS 101 -7.068 12.450 11.398 836 HZ3 LYS 101 HZ3 LYS 101 -5.479 12.150 11.902 837 H ASP 102 H ASP 102 -8.505 11.767 3.936 838 HA ASP 102 HA ASP 102 -11.221 12.020 4.927 839 HB2 ASP 102 HB2 ASP 102 -9.764 12.888 2.538 840 HB3 ASP 102 HB3 ASP 102 -11.408 12.353 2.208 841 H PHE 103 H PHE 103 -9.334 9.653 3.408 842 HA PHE 103 HA PHE 103 -11.480 8.196 2.202 843 HB2 PHE 103 HB2 PHE 103 -8.689 7.324 2.987 844 HB3 PHE 103 HB3 PHE 103 -9.820 6.340 2.067 845 HD1 PHE 103 HD2 PHE 103 -10.514 7.067 -0.204 846 HD2 PHE 103 HD1 PHE 103 -7.418 9.032 1.952 847 HE1 PHE 103 HE2 PHE 103 -9.713 8.090 -2.296 848 HE2 PHE 103 HE1 PHE 103 -6.612 10.060 -0.133 849 HZ PHE 103 HZ PHE 103 -7.758 9.586 -2.260 850 H GLY 104 H GLY 104 -9.944 8.329 5.331 851 HA2 GLY 104 HA2 GLY 104 -11.611 6.210 6.411 852 HA3 GLY 104 HA3 GLY 104 -10.514 7.245 7.322 853 H LEU 105 H LEU 105 -11.173 9.581 7.379 854 HA LEU 105 HA LEU 105 -12.569 11.229 8.030 855 HB2 LEU 105 HB2 LEU 105 -13.298 10.556 5.554 856 HB3 LEU 105 HB3 LEU 105 -14.796 10.174 6.376 857 HG LEU 105 HG LEU 105 -13.438 12.874 6.452 858 HD11 LEU 105 HD11 LEU 105 -14.235 12.389 4.224 859 HD12 LEU 105 HD12 LEU 105 -15.272 13.591 4.990 860 HD13 LEU 105 HD13 LEU 105 -15.810 11.916 4.864 861 HD21 LEU 105 HD21 LEU 105 -15.530 13.666 7.411 862 HD22 LEU 105 HD22 LEU 105 -14.812 12.417 8.429 863 HD23 LEU 105 HD23 LEU 105 -16.178 12.026 7.385 864 H GLU 106 H GLU 106 -12.930 10.811 10.162 865 HA GLU 106 HA GLU 106 -15.199 9.088 10.847 866 HB2 GLU 106 HB2 GLU 106 -13.159 8.650 12.093 867 HB3 GLU 106 HB3 GLU 106 -13.071 10.334 12.595 868 HG2 GLU 106 HG2 GLU 106 -15.127 10.076 13.868 869 HG3 GLU 106 HG3 GLU 106 -15.256 8.401 13.343 870 H HIS 107 H HIS 107 -17.107 9.913 11.318 871 HA HIS 107 HA HIS 107 -17.361 12.770 11.834 872 HB2 HIS 107 HB2 HIS 107 -19.350 10.589 11.241 873 HB3 HIS 107 HB3 HIS 107 -19.863 12.159 11.852 874 HD1 HIS 107 HD1 HIS 107 -19.868 14.115 10.245 875 HD2 HIS 107 HD2 HIS 107 -18.263 10.648 8.596 876 HE1 HIS 107 HE1 HIS 107 -19.624 14.580 7.783 877 HE2 HIS 107 HE2 HIS 107 -18.716 12.451 6.787 878 H HIS 108 H HIS 108 -17.297 13.507 13.811 879 HA HIS 108 HA HIS 108 -17.280 11.698 16.047 880 HB2 HIS 108 HB2 HIS 108 -17.018 14.701 15.851 881 HB3 HIS 108 HB3 HIS 108 -16.957 13.828 17.377 882 HD1 HIS 108 HD1 HIS 108 -14.627 13.572 18.131 883 HD2 HIS 108 HD2 HIS 108 -14.940 13.324 13.987 884 HE1 HIS 108 HE1 HIS 108 -12.283 13.193 17.290 885 HE2 HIS 108 HE2 HIS 108 -12.506 12.961 14.788 886 H HIS 109 H HIS 109 -18.558 12.122 18.014 887 HA HIS 109 HA HIS 109 -21.345 12.768 17.293 888 HB2 HIS 109 HB2 HIS 109 -20.822 10.404 17.982 889 HB3 HIS 109 HB3 HIS 109 -20.360 11.022 19.562 890 HD1 HIS 109 HD1 HIS 109 -22.185 11.080 21.263 891 HD2 HIS 109 HD2 HIS 109 -23.650 10.991 17.368 892 HE1 HIS 109 HE1 HIS 109 -24.683 10.875 21.476 893 HE2 HIS 109 HE2 HIS 109 -25.513 10.592 19.114 894 H HIS 110 H HIS 110 -22.174 14.568 18.204 895 HA HIS 110 HA HIS 110 -20.545 16.119 19.950 896 HB2 HIS 110 HB2 HIS 110 -22.185 17.817 19.837 897 HB3 HIS 110 HB3 HIS 110 -22.210 17.042 18.263 898 HD1 HIS 110 HD1 HIS 110 -24.389 18.150 20.936 899 HD2 HIS 110 HD2 HIS 110 -24.509 15.171 18.019 900 HE1 HIS 110 HE1 HIS 110 -26.799 17.464 20.752 901 HE2 HIS 110 HE2 HIS 110 -26.877 15.848 18.824 902 H HIS 111 H HIS 111 -20.518 16.337 22.076 903 HA HIS 111 HA HIS 111 -21.982 14.472 23.708 904 HB2 HIS 111 HB2 HIS 111 -19.643 15.032 24.215 905 HB3 HIS 111 HB3 HIS 111 -20.085 16.718 24.446 906 HD1 HIS 111 HD1 HIS 111 -20.093 13.400 26.137 907 HD2 HIS 111 HD2 HIS 111 -21.397 17.282 26.881 908 HE1 HIS 111 HE1 HIS 111 -20.582 13.498 28.606 909 HE2 HIS 111 HE2 HIS 111 -21.204 15.903 29.056 910 H HIS 112 H HIS 112 -21.749 18.002 23.474 911 HA HIS 112 HA HIS 112 -24.590 18.182 24.139 912 HB2 HIS 112 HB2 HIS 112 -23.279 18.616 26.234 913 HB3 HIS 112 HB3 HIS 112 -22.487 19.958 25.414 914 HD1 HIS 112 HD1 HIS 112 -23.695 22.170 25.385 915 HD2 HIS 112 HD2 HIS 112 -26.099 19.033 26.686 916 HE1 HIS 112 HE1 HIS 112 -25.793 23.241 26.273 917 HE2 HIS 112 HE2 HIS 112 -27.128 21.342 27.244
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