NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
6043 | 1idh | 5024 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ILE 1 1HT ILE 1 -3.959 17.640 -4.747 2 2H ILE 1 2HT ILE 1 -2.432 18.054 -5.413 3 3H ILE 1 3HT ILE 1 -2.646 18.012 -3.711 4 HA ILE 1 HA ILE 1 -2.552 15.799 -5.626 5 HB ILE 1 HB ILE 1 -1.141 16.118 -2.984 6 1HG1 ILE 1 2HG1 ILE 1 -0.482 18.001 -4.383 7 2HG1 ILE 1 1HG1 ILE 1 0.840 16.843 -4.280 8 1HG2 ILE 1 1HG2 ILE 1 0.462 14.571 -4.417 9 2HG2 ILE 1 2HG2 ILE 1 -1.048 14.210 -5.254 10 3HG2 ILE 1 3HG2 ILE 1 -0.909 13.917 -3.520 11 1HD1 ILE 1 1HD1 ILE 1 0.895 17.257 -6.501 12 2HD1 ILE 1 2HD1 ILE 1 -0.827 17.626 -6.591 13 3HD1 ILE 1 3HD1 ILE 1 -0.287 15.949 -6.507 14 H VAL 2 H VAL 2 -3.498 13.887 -5.147 15 HA VAL 2 HA VAL 2 -4.811 13.589 -2.541 16 HB VAL 2 HB VAL 2 -6.813 12.633 -3.632 17 1HG1 VAL 2 1HG1 VAL 2 -7.845 14.648 -3.781 18 2HG1 VAL 2 2HG1 VAL 2 -6.610 15.327 -4.841 19 3HG1 VAL 2 3HG1 VAL 2 -6.312 15.203 -3.107 20 1HG2 VAL 2 1HG2 VAL 2 -5.312 12.358 -5.841 21 2HG2 VAL 2 2HG2 VAL 2 -6.143 13.865 -6.232 22 3HG2 VAL 2 3HG2 VAL 2 -7.075 12.412 -5.869 23 H CYS 3 H CYS 3 -5.650 11.265 -2.276 24 HA CYS 3 HA CYS 3 -4.290 9.253 -3.825 25 1HB CYS 3 2HB CYS 3 -2.644 10.290 -2.081 26 2HB CYS 3 1HB CYS 3 -3.534 9.295 -0.930 27 H HIS 4 H HIS 4 -6.130 8.110 -4.113 28 HA HIS 4 HA HIS 4 -8.310 7.657 -2.632 29 1HB HIS 4 2HB HIS 4 -6.935 5.283 -3.871 30 2HB HIS 4 1HB HIS 4 -8.662 5.625 -3.772 31 HD1 HIS 4 1HD HIS 4 -6.848 5.042 -6.395 32 HD2 HIS 4 2HD HIS 4 -8.403 8.689 -5.148 33 HE1 HIS 4 1HE HIS 4 -6.986 6.458 -8.467 34 HE2 HIS 4 2HE HIS 4 -8.009 8.630 -7.702 35 H THR 5 H THR 5 -8.714 7.075 -0.617 36 HA THR 5 HA THR 5 -6.676 5.757 0.960 37 HB THR 5 HB THR 5 -7.741 7.478 2.144 38 HG1 THR 5 1HG THR 5 -8.874 6.383 3.796 39 1HG2 THR 5 1HG2 THR 5 -10.297 6.428 1.015 40 2HG2 THR 5 2HG2 THR 5 -9.650 8.068 0.986 41 3HG2 THR 5 3HG2 THR 5 -10.285 7.397 2.488 42 H THR 6 H THR 6 -6.495 3.650 0.457 43 HA THR 6 HA THR 6 -6.948 1.430 0.704 44 HB THR 6 HB THR 6 -8.887 2.546 2.328 45 HG1 THR 6 1HG THR 6 -8.524 -0.218 1.844 46 1HG2 THR 6 1HG2 THR 6 -10.881 1.137 2.009 47 2HG2 THR 6 2HG2 THR 6 -10.258 0.651 0.433 48 3HG2 THR 6 3HG2 THR 6 -10.676 2.337 0.734 49 H ALA 7 H ALA 7 -9.722 3.131 -0.772 50 HA ALA 7 HA ALA 7 -10.807 2.825 -2.743 51 1HB ALA 7 1HB ALA 7 -9.399 1.961 -4.656 52 2HB ALA 7 2HB ALA 7 -8.080 1.797 -3.497 53 3HB ALA 7 3HB ALA 7 -8.777 3.385 -3.822 54 H THR 8 H THR 8 -8.932 -0.015 -3.531 55 HA THR 8 HA THR 8 -9.465 -2.207 -3.744 56 HB THR 8 HB THR 8 -10.512 -3.292 -1.946 57 HG1 THR 8 1HG THR 8 -12.406 -2.554 -1.457 58 1HG2 THR 8 1HG2 THR 8 -9.488 -0.717 -0.782 59 2HG2 THR 8 2HG2 THR 8 -8.519 -2.136 -1.175 60 3HG2 THR 8 3HG2 THR 8 -9.740 -2.226 0.093 61 H SER 9 H SER 9 -12.613 -0.823 -2.786 62 HA SER 9 HA SER 9 -13.657 -1.522 -5.432 63 1HB SER 9 2HB SER 9 -14.373 -2.798 -2.927 64 2HB SER 9 1HB SER 9 -15.778 -2.052 -3.687 65 HG SER 9 HG SER 9 -14.739 -4.340 -4.307 66 HA PRO 10 HA PRO 10 -16.546 1.850 -3.762 67 1HB PRO 10 2HB PRO 10 -16.705 2.458 -1.160 68 2HB PRO 10 1HB PRO 10 -17.489 1.018 -1.810 69 1HG PRO 10 2HG PRO 10 -14.865 1.247 -0.380 70 2HG PRO 10 1HG PRO 10 -16.177 0.083 -0.119 71 1HD PRO 10 2HD PRO 10 -13.958 -0.471 -1.599 72 2HD PRO 10 1HD PRO 10 -15.536 -1.226 -1.890 73 H ILE 11 H ILE 11 -15.532 3.535 -1.169 74 HA ILE 11 HA ILE 11 -12.999 4.516 -1.791 75 HB ILE 11 HB ILE 11 -14.004 5.279 -3.890 76 1HG1 ILE 11 2HG1 ILE 11 -13.518 7.643 -2.072 77 2HG1 ILE 11 1HG1 ILE 11 -12.231 6.617 -2.695 78 1HG2 ILE 11 1HG2 ILE 11 -15.642 7.369 -3.358 79 2HG2 ILE 11 2HG2 ILE 11 -16.092 6.252 -2.070 80 3HG2 ILE 11 3HG2 ILE 11 -16.197 5.743 -3.756 81 1HD1 ILE 11 1HD1 ILE 11 -13.519 7.264 -4.981 82 2HD1 ILE 11 2HD1 ILE 11 -12.139 8.143 -4.323 83 3HD1 ILE 11 3HD1 ILE 11 -13.777 8.719 -4.019 84 H SER 12 H SER 12 -12.448 6.457 -0.584 85 HA SER 12 HA SER 12 -14.442 7.272 1.405 86 1HB SER 12 2HB SER 12 -11.930 5.816 1.910 87 2HB SER 12 1HB SER 12 -12.178 7.233 2.929 88 HG SER 12 HG SER 12 -14.246 6.349 3.462 89 H ALA 13 H ALA 13 -13.027 8.987 2.914 90 HA ALA 13 HA ALA 13 -12.865 11.286 1.331 91 1HB ALA 13 1HB ALA 13 -11.506 12.070 3.495 92 2HB ALA 13 2HB ALA 13 -12.240 10.599 4.137 93 3HB ALA 13 3HB ALA 13 -13.259 11.878 3.478 94 H VAL 14 H VAL 14 -11.448 11.018 -0.396 95 HA VAL 14 HA VAL 14 -8.727 10.215 -0.058 96 HB VAL 14 HB VAL 14 -9.408 11.828 -2.447 97 1HG1 VAL 14 1HG1 VAL 14 -7.802 9.484 -1.709 98 2HG1 VAL 14 2HG1 VAL 14 -7.470 10.766 -2.873 99 3HG1 VAL 14 3HG1 VAL 14 -8.524 9.426 -3.315 100 1HG2 VAL 14 1HG2 VAL 14 -10.925 9.356 -1.700 101 2HG2 VAL 14 2HG2 VAL 14 -10.595 9.728 -3.391 102 3HG2 VAL 14 3HG2 VAL 14 -11.519 10.859 -2.404 103 H THR 15 H THR 15 -7.284 12.053 -1.543 104 HA THR 15 HA THR 15 -6.207 14.049 -1.503 105 HB THR 15 HB THR 15 -7.289 16.008 -0.913 106 HG1 THR 15 1HG THR 15 -8.363 14.489 1.165 107 1HG2 THR 15 1HG2 THR 15 -8.869 14.097 -2.170 108 2HG2 THR 15 2HG2 THR 15 -9.098 15.845 -2.166 109 3HG2 THR 15 3HG2 THR 15 -9.913 14.846 -0.963 110 H CYS 16 H CYS 16 -4.434 14.537 -0.426 111 HA CYS 16 HA CYS 16 -4.318 13.858 2.438 112 1HB CYS 16 2HB CYS 16 -2.896 12.404 1.104 113 2HB CYS 16 1HB CYS 16 -2.135 13.800 0.341 114 HA PRO 17 HA PRO 17 -3.992 18.434 2.460 115 1HB PRO 17 2HB PRO 17 -4.172 17.842 5.366 116 2HB PRO 17 1HB PRO 17 -5.062 19.019 4.399 117 1HG PRO 17 2HG PRO 17 -6.232 16.773 5.236 118 2HG PRO 17 1HG PRO 17 -6.580 17.448 3.633 119 1HD PRO 17 2HD PRO 17 -4.867 15.118 4.382 120 2HD PRO 17 1HD PRO 17 -5.925 15.335 2.973 121 HA PRO 18 HA PRO 18 -0.129 18.118 5.269 122 1HB PRO 18 2HB PRO 18 0.582 15.768 6.359 123 2HB PRO 18 1HB PRO 18 -0.624 16.818 7.112 124 1HG PRO 18 2HG PRO 18 -1.019 14.359 5.462 125 2HG PRO 18 1HG PRO 18 -1.880 14.880 6.921 126 1HD PRO 18 2HD PRO 18 -2.832 15.193 4.359 127 2HD PRO 18 1HD PRO 18 -3.321 16.198 5.737 128 H GLY 19 H GLY 19 2.116 17.439 4.933 129 1HA GLY 19 2HA GLY 19 3.817 16.965 3.451 130 2HA GLY 19 1HA GLY 19 3.044 15.385 3.360 131 H GLU 20 H GLU 20 3.298 18.551 1.875 132 HA GLU 20 HA GLU 20 1.619 17.778 -0.361 133 1HB GLU 20 2HB GLU 20 1.541 20.081 0.509 134 2HB GLU 20 1HB GLU 20 3.235 20.293 0.091 135 1HG GLU 20 2HG GLU 20 2.693 19.981 -2.269 136 2HG GLU 20 1HG GLU 20 0.995 19.769 -1.849 137 H ASN 21 H ASN 21 2.896 15.996 -1.114 138 HA ASN 21 HA ASN 21 4.679 16.736 -3.193 139 1HB ASN 21 2HB ASN 21 5.937 16.523 -0.744 140 2HB ASN 21 1HB ASN 21 6.196 14.931 -1.456 141 1HD2 ASN 21 1HD2 ASN 21 6.982 18.268 -1.564 142 2HD2 ASN 21 2HD2 ASN 21 8.169 18.174 -2.817 143 H LEU 22 H LEU 22 4.645 13.844 -1.131 144 HA LEU 22 HA LEU 22 3.513 12.331 -3.386 145 1HB LEU 22 2HB LEU 22 5.522 11.233 -1.432 146 2HB LEU 22 1HB LEU 22 4.973 10.508 -2.932 147 HG LEU 22 HG LEU 22 6.260 13.145 -3.223 148 1HD1 LEU 22 1HD1 LEU 22 7.533 11.085 -1.669 149 2HD1 LEU 22 2HD1 LEU 22 8.085 12.719 -2.043 150 3HD1 LEU 22 3HD1 LEU 22 8.428 11.397 -3.156 151 1HD2 LEU 22 1HD2 LEU 22 7.294 10.879 -4.726 152 2HD2 LEU 22 2HD2 LEU 22 6.612 12.402 -5.296 153 3HD2 LEU 22 3HD2 LEU 22 5.547 11.062 -4.874 154 H CYS 23 H CYS 23 2.263 10.461 -2.819 155 HA CYS 23 HA CYS 23 1.064 10.680 -0.162 156 1HB CYS 23 2HB CYS 23 -0.988 10.088 -1.065 157 2HB CYS 23 1HB CYS 23 -0.273 11.082 -2.332 158 H TYR 24 H TYR 24 3.471 9.074 -0.783 159 HA TYR 24 HA TYR 24 4.296 6.919 -0.707 160 1HB TYR 24 2HB TYR 24 2.786 7.630 1.722 161 2HB TYR 24 1HB TYR 24 3.168 5.922 1.571 162 HD1 TYR 24 1HD TYR 24 5.274 8.688 0.306 163 HD2 TYR 24 2HD TYR 24 4.746 5.754 3.340 164 HE1 TYR 24 1HE TYR 24 7.547 9.136 1.127 165 HE2 TYR 24 2HE TYR 24 7.018 6.194 4.171 166 HH TYR 24 HH TYR 24 8.651 8.233 4.075 167 H ARG 25 H ARG 25 3.104 4.592 0.498 168 HA ARG 25 HA ARG 25 1.400 3.014 0.203 169 1HB ARG 25 2HB ARG 25 0.627 4.510 -2.314 170 2HB ARG 25 1HB ARG 25 -0.246 3.185 -1.578 171 1HG ARG 25 2HG ARG 25 0.032 5.153 0.408 172 2HG ARG 25 1HG ARG 25 -0.456 5.982 -1.070 173 1HD ARG 25 2HD ARG 25 -2.529 5.409 -0.432 174 2HD ARG 25 1HD ARG 25 -2.111 3.837 -1.114 175 HE ARG 25 HE ARG 25 -1.280 3.513 1.376 176 1HH1 ARG 25 1HH1 ARG 25 -4.247 4.929 0.198 177 2HH1 ARG 25 2HH1 ARG 25 -5.158 4.484 1.602 178 1HH2 ARG 25 1HH2 ARG 25 -2.483 2.925 3.216 179 2HH2 ARG 25 2HH2 ARG 25 -4.161 3.344 3.310 180 H LYS 26 H LYS 26 2.317 1.141 -0.335 181 HA LYS 26 HA LYS 26 3.168 0.711 -3.076 182 1HB LYS 26 2HB LYS 26 5.032 1.027 -0.888 183 2HB LYS 26 1HB LYS 26 5.260 -0.481 -1.755 184 1HG LYS 26 2HG LYS 26 5.232 2.274 -2.975 185 2HG LYS 26 1HG LYS 26 6.659 1.279 -2.677 186 1HD LYS 26 2HD LYS 26 5.127 -0.438 -4.110 187 2HD LYS 26 1HD LYS 26 4.640 1.108 -4.811 188 1HE LYS 26 2HE LYS 26 7.513 0.933 -4.456 189 2HE LYS 26 1HE LYS 26 6.894 -0.377 -5.460 190 1HZ LYS 26 1HZ LYS 26 6.027 2.385 -5.982 191 2HZ LYS 26 2HZ LYS 26 6.140 1.077 -7.050 192 3HZ LYS 26 3HZ LYS 26 7.542 1.869 -6.535 193 H MET 27 H MET 27 4.274 -1.348 -0.435 194 HA MET 27 HA MET 27 2.116 -3.046 -0.107 195 1HB MET 27 2HB MET 27 3.244 -3.271 -2.744 196 2HB MET 27 1HB MET 27 3.508 -4.776 -1.875 197 1HG MET 27 2HG MET 27 1.186 -5.070 -1.504 198 2HG MET 27 1HG MET 27 0.826 -3.434 -2.054 199 1HE MET 27 1HE MET 27 1.624 -2.617 -4.384 200 2HE MET 27 2HE MET 27 1.519 -3.600 -5.845 201 3HE MET 27 3HE MET 27 2.982 -3.635 -4.863 202 H TRP 28 H TRP 28 3.312 -5.586 -0.139 203 HA TRP 28 HA TRP 28 5.740 -5.246 1.474 204 1HB TRP 28 2HB TRP 28 3.925 -5.479 3.063 205 2HB TRP 28 1HB TRP 28 3.324 -6.901 2.224 206 HD1 TRP 28 HD TRP 28 3.717 -8.862 3.820 207 HE1 TRP 28 1HE TRP 28 5.710 -9.761 5.177 208 HE3 TRP 28 3HE TRP 28 7.080 -5.118 2.907 209 HZ2 TRP 28 2HZ TRP 28 8.355 -8.988 5.780 210 HZ3 TRP 28 3HZ TRP 28 9.320 -5.276 3.912 211 HH2 TRP 28 HH TRP 28 9.942 -7.172 5.319 212 H CYS 29 H CYS 29 3.863 -8.202 0.905 213 HA CYS 29 HA CYS 29 4.441 -10.202 -0.032 214 1HB CYS 29 2HB CYS 29 4.519 -8.377 -2.017 215 2HB CYS 29 1HB CYS 29 6.194 -8.927 -2.065 216 H ASP 30 H ASP 30 6.450 -11.512 -0.882 217 HA ASP 30 HA ASP 30 8.507 -11.209 1.146 218 1HB ASP 30 2HB ASP 30 7.547 -13.369 -0.621 219 2HB ASP 30 1HB ASP 30 9.286 -13.365 -0.339 220 H ALA 31 H ALA 31 8.845 -12.159 -2.252 221 HA ALA 31 HA ALA 31 11.024 -10.191 -2.518 222 1HB ALA 31 1HB ALA 31 10.839 -12.823 -3.979 223 2HB ALA 31 2HB ALA 31 11.743 -12.596 -2.483 224 3HB ALA 31 3HB ALA 31 12.206 -11.709 -3.934 225 H PHE 32 H PHE 32 10.819 -11.462 -5.484 226 HA PHE 32 HA PHE 32 9.398 -9.245 -6.551 227 1HB PHE 32 2HB PHE 32 9.856 -10.171 -8.702 228 2HB PHE 32 1HB PHE 32 11.266 -10.510 -7.705 229 HD1 PHE 32 1HD PHE 32 11.539 -12.820 -6.745 230 HD2 PHE 32 2HD PHE 32 8.643 -11.893 -9.721 231 HE1 PHE 32 1HE PHE 32 11.348 -15.210 -7.299 232 HE2 PHE 32 2HE PHE 32 8.446 -14.281 -10.281 233 HZ PHE 32 HZ PHE 32 9.800 -15.943 -9.068 234 H CYS 33 H CYS 33 8.625 -12.578 -5.861 235 HA CYS 33 HA CYS 33 6.743 -13.842 -6.231 236 1HB CYS 33 2HB CYS 33 4.744 -12.530 -5.039 237 2HB CYS 33 1HB CYS 33 6.062 -13.274 -4.146 238 H SER 34 H SER 34 4.952 -10.806 -6.405 239 HA SER 34 HA SER 34 3.742 -9.839 -8.088 240 1HB SER 34 2HB SER 34 5.746 -10.959 -9.537 241 2HB SER 34 1HB SER 34 4.362 -11.854 -10.165 242 HG SER 34 HG SER 34 4.587 -10.006 -11.381 243 H SER 35 H SER 35 2.917 -12.024 -6.323 244 HA SER 35 HA SER 35 0.418 -12.648 -7.640 245 1HB SER 35 2HB SER 35 0.771 -15.120 -6.759 246 2HB SER 35 1HB SER 35 1.356 -14.636 -8.351 247 HG SER 35 HG SER 35 3.100 -15.546 -7.465 248 H ARG 36 H ARG 36 2.240 -13.837 -4.809 249 HA ARG 36 HA ARG 36 -0.094 -13.441 -3.138 250 1HB ARG 36 2HB ARG 36 1.078 -14.663 -1.462 251 2HB ARG 36 1HB ARG 36 1.376 -15.473 -2.992 252 1HG ARG 36 2HG ARG 36 3.584 -14.591 -3.118 253 2HG ARG 36 1HG ARG 36 3.298 -13.527 -1.740 254 1HD ARG 36 2HD ARG 36 3.896 -15.129 -0.320 255 2HD ARG 36 1HD ARG 36 2.710 -16.235 -1.008 256 HE ARG 36 HE ARG 36 4.373 -17.045 -2.494 257 1HH1 ARG 36 1HH1 ARG 36 5.619 -14.786 -0.132 258 2HH1 ARG 36 2HH1 ARG 36 7.259 -15.300 -0.333 259 1HH2 ARG 36 1HH2 ARG 36 6.531 -17.707 -2.754 260 2HH2 ARG 36 2HH2 ARG 36 7.777 -16.949 -1.819 261 H GLY 37 H GLY 37 1.435 -12.886 -0.697 262 1HA GLY 37 2HA GLY 37 2.553 -11.132 0.371 263 2HA GLY 37 1HA GLY 37 2.610 -10.267 -1.156 264 H LYS 38 H LYS 38 -0.421 -11.596 -0.226 265 HA LYS 38 HA LYS 38 -1.976 -9.420 -0.468 266 1HB LYS 38 2HB LYS 38 -3.574 -10.452 1.081 267 2HB LYS 38 1HB LYS 38 -2.880 -11.628 -0.025 268 1HG LYS 38 2HG LYS 38 -1.277 -11.527 2.329 269 2HG LYS 38 1HG LYS 38 -2.970 -11.714 2.792 270 1HD LYS 38 2HD LYS 38 -3.166 -13.628 1.272 271 2HD LYS 38 1HD LYS 38 -1.468 -13.443 0.824 272 1HE LYS 38 2HE LYS 38 -2.398 -13.910 3.650 273 2HE LYS 38 1HE LYS 38 -1.955 -15.214 2.549 274 1HZ LYS 38 1HZ LYS 38 -0.196 -13.029 3.517 275 2HZ LYS 38 2HZ LYS 38 0.247 -14.141 2.323 276 3HZ LYS 38 3HZ LYS 38 -0.079 -14.674 3.895 277 H VAL 39 H VAL 39 -1.181 -7.497 0.185 278 HA VAL 39 HA VAL 39 -1.367 -6.900 3.032 279 HB VAL 39 HB VAL 39 0.757 -5.615 2.977 280 1HG1 VAL 39 1HG1 VAL 39 0.413 -8.205 3.533 281 2HG1 VAL 39 2HG1 VAL 39 1.972 -7.392 3.667 282 3HG1 VAL 39 3HG1 VAL 39 1.596 -8.347 2.234 283 1HG2 VAL 39 1HG2 VAL 39 0.567 -6.117 0.207 284 2HG2 VAL 39 2HG2 VAL 39 2.017 -6.934 0.788 285 3HG2 VAL 39 3HG2 VAL 39 1.806 -5.207 1.070 286 H VAL 40 H VAL 40 -0.182 -4.183 2.520 287 HA VAL 40 HA VAL 40 -1.942 -3.090 0.499 288 HB VAL 40 HB VAL 40 -2.240 -1.637 3.045 289 1HG1 VAL 40 1HG1 VAL 40 -4.615 -2.473 1.563 290 2HG1 VAL 40 2HG1 VAL 40 -3.433 -1.612 0.577 291 3HG1 VAL 40 3HG1 VAL 40 -4.081 -0.859 2.035 292 1HG2 VAL 40 1HG2 VAL 40 -3.614 -4.297 2.661 293 2HG2 VAL 40 2HG2 VAL 40 -3.932 -3.138 3.952 294 3HG2 VAL 40 3HG2 VAL 40 -2.368 -3.948 3.858 295 H GLU 41 H GLU 41 -1.863 -0.471 1.027 296 HA GLU 41 HA GLU 41 0.998 0.150 0.799 297 1HB GLU 41 2HB GLU 41 -0.789 2.254 -0.067 298 2HB GLU 41 1HB GLU 41 0.465 1.420 -0.965 299 1HG GLU 41 2HG GLU 41 -1.156 -0.431 -1.369 300 2HG GLU 41 1HG GLU 41 -2.398 0.582 -0.635 301 H LEU 42 H LEU 42 1.788 2.152 1.718 302 HA LEU 42 HA LEU 42 0.871 2.582 4.314 303 1HB LEU 42 2HB LEU 42 3.084 3.411 2.723 304 2HB LEU 42 1HB LEU 42 2.434 4.807 3.567 305 HG LEU 42 HG LEU 42 2.493 3.255 5.647 306 1HD1 LEU 42 1HD1 LEU 42 4.895 1.985 4.678 307 2HD1 LEU 42 2HD1 LEU 42 3.470 1.470 3.776 308 3HD1 LEU 42 3HD1 LEU 42 3.514 1.295 5.530 309 1HD2 LEU 42 1HD2 LEU 42 4.575 4.156 6.266 310 2HD2 LEU 42 2HD2 LEU 42 3.887 5.314 5.126 311 3HD2 LEU 42 3HD2 LEU 42 5.143 4.195 4.596 312 H GLY 43 H GLY 43 1.279 5.442 2.225 313 1HA GLY 43 2HA GLY 43 -0.872 6.505 1.453 314 2HA GLY 43 1HA GLY 43 -1.448 6.206 3.088 315 H CYS 44 H CYS 44 0.803 8.044 1.136 316 HA CYS 44 HA CYS 44 1.722 10.107 1.395 317 1HB CYS 44 2HB CYS 44 -0.844 10.302 2.394 318 2HB CYS 44 1HB CYS 44 0.141 10.972 3.693 319 H ALA 45 H ALA 45 3.326 11.150 2.482 320 HA ALA 45 HA ALA 45 3.915 10.421 5.240 321 1HB ALA 45 1HB ALA 45 6.092 10.117 3.200 322 2HB ALA 45 2HB ALA 45 5.040 8.774 3.643 323 3HB ALA 45 3HB ALA 45 6.047 9.543 4.867 324 H ALA 46 H ALA 46 5.688 11.919 2.540 325 HA ALA 46 HA ALA 46 5.330 14.570 3.037 326 1HB ALA 46 1HB ALA 46 7.153 13.358 5.034 327 2HB ALA 46 2HB ALA 46 6.093 14.761 5.170 328 3HB ALA 46 3HB ALA 46 7.642 14.904 4.341 329 H THR 47 H THR 47 7.762 12.104 2.451 330 HA THR 47 HA THR 47 8.386 12.987 -0.127 331 HB THR 47 HB THR 47 9.425 14.894 1.036 332 HG1 THR 47 1HG THR 47 11.456 14.695 0.042 333 1HG2 THR 47 1HG2 THR 47 10.129 14.164 3.121 334 2HG2 THR 47 2HG2 THR 47 11.630 14.375 2.221 335 3HG2 THR 47 3HG2 THR 47 10.962 12.759 2.455 336 H CYS 48 H CYS 48 10.559 11.937 -0.890 337 HA CYS 48 HA CYS 48 11.172 9.523 0.644 338 1HB CYS 48 2HB CYS 48 10.787 8.040 -1.214 339 2HB CYS 48 1HB CYS 48 9.322 8.964 -0.913 340 HA PRO 49 HA PRO 49 14.795 11.672 -1.622 341 1HB PRO 49 2HB PRO 49 15.845 11.678 1.153 342 2HB PRO 49 1HB PRO 49 15.913 12.945 -0.076 343 1HG PRO 49 2HG PRO 49 14.275 13.145 2.026 344 2HG PRO 49 1HG PRO 49 13.795 13.729 0.422 345 1HD PRO 49 2HD PRO 49 12.986 11.231 1.850 346 2HD PRO 49 1HD PRO 49 12.025 12.304 0.815 347 H SER 50 H SER 50 14.181 9.168 0.674 348 HA SER 50 HA SER 50 16.626 7.811 0.689 349 1HB SER 50 2HB SER 50 14.493 7.495 2.140 350 2HB SER 50 1HB SER 50 13.970 6.408 0.853 351 HG SER 50 HG SER 50 15.671 5.919 2.847 352 H LYS 51 H LYS 51 16.122 5.225 -0.080 353 HA LYS 51 HA LYS 51 15.055 4.795 -2.606 354 1HB LYS 51 2HB LYS 51 17.267 4.655 -3.895 355 2HB LYS 51 1HB LYS 51 16.580 6.253 -3.638 356 1HG LYS 51 2HG LYS 51 18.138 6.185 -1.503 357 2HG LYS 51 1HG LYS 51 19.028 5.030 -2.497 358 1HD LYS 51 2HD LYS 51 18.229 7.795 -3.397 359 2HD LYS 51 1HD LYS 51 19.811 7.382 -2.734 360 1HE LYS 51 2HE LYS 51 18.700 5.871 -5.067 361 2HE LYS 51 1HE LYS 51 19.479 7.435 -5.307 362 1HZ LYS 51 1HZ LYS 51 20.713 5.053 -4.033 363 2HZ LYS 51 2HZ LYS 51 21.462 6.558 -4.216 364 3HZ LYS 51 3HZ LYS 51 21.057 5.644 -5.580 365 H LYS 52 H LYS 52 15.273 3.434 -0.175 366 HA LYS 52 HA LYS 52 17.249 1.363 -0.378 367 1HB LYS 52 2HB LYS 52 15.543 0.322 1.411 368 2HB LYS 52 1HB LYS 52 16.747 1.529 1.827 369 1HG LYS 52 2HG LYS 52 14.508 1.966 2.783 370 2HG LYS 52 1HG LYS 52 15.113 3.276 1.768 371 1HD LYS 52 2HD LYS 52 13.775 2.130 -0.118 372 2HD LYS 52 1HD LYS 52 12.948 1.282 1.187 373 1HE LYS 52 2HE LYS 52 13.126 4.270 0.813 374 2HE LYS 52 1HE LYS 52 11.705 3.265 0.534 375 1HZ LYS 52 1HZ LYS 52 12.968 3.222 3.183 376 2HZ LYS 52 2HZ LYS 52 11.346 2.993 2.761 377 3HZ LYS 52 3HZ LYS 52 12.008 4.550 2.764 378 HA PRO 53 HA PRO 53 15.104 -1.516 -2.912 379 1HB PRO 53 2HB PRO 53 15.944 -3.893 -1.903 380 2HB PRO 53 1HB PRO 53 16.989 -2.824 -2.845 381 1HG PRO 53 2HG PRO 53 16.837 -3.196 0.118 382 2HG PRO 53 1HG PRO 53 18.260 -2.991 -0.915 383 1HD PRO 53 2HD PRO 53 17.181 -0.977 0.572 384 2HD PRO 53 1HD PRO 53 18.067 -0.707 -0.942 385 H TYR 54 H TYR 54 15.067 -3.702 -0.164 386 HA TYR 54 HA TYR 54 12.179 -3.916 -0.354 387 1HB TYR 54 2HB TYR 54 12.989 -5.415 1.850 388 2HB TYR 54 1HB TYR 54 12.792 -6.016 0.202 389 HD1 TYR 54 1HD TYR 54 14.671 -6.549 -1.148 390 HD2 TYR 54 2HD TYR 54 15.214 -4.706 2.641 391 HE1 TYR 54 1HE TYR 54 17.081 -6.928 -1.321 392 HE2 TYR 54 2HE TYR 54 17.626 -5.087 2.494 393 HH TYR 54 HH TYR 54 19.036 -7.204 0.450 394 H GLU 55 H GLU 55 10.727 -2.889 0.884 395 HA GLU 55 HA GLU 55 11.376 -2.077 3.575 396 1HB GLU 55 2HB GLU 55 11.575 -0.211 1.380 397 2HB GLU 55 1HB GLU 55 10.334 0.302 2.514 398 1HG GLU 55 2HG GLU 55 13.232 -0.240 3.100 399 2HG GLU 55 1HG GLU 55 12.401 1.314 3.134 400 H GLU 56 H GLU 56 9.006 -0.724 1.308 401 HA GLU 56 HA GLU 56 6.810 -2.255 1.712 402 1HB GLU 56 2HB GLU 56 6.998 -1.953 4.122 403 2HB GLU 56 1HB GLU 56 7.046 -0.207 3.930 404 1HG GLU 56 2HG GLU 56 4.803 -0.051 3.536 405 2HG GLU 56 1HG GLU 56 4.693 -1.681 2.876 406 H VAL 57 H VAL 57 8.173 0.944 1.461 407 HA VAL 57 HA VAL 57 6.510 1.606 -0.734 408 HB VAL 57 HB VAL 57 4.759 2.505 0.285 409 1HG1 VAL 57 1HG1 VAL 57 4.790 1.450 2.304 410 2HG1 VAL 57 2HG1 VAL 57 4.954 3.122 2.840 411 3HG1 VAL 57 3HG1 VAL 57 6.375 2.086 2.740 412 1HG2 VAL 57 1HG2 VAL 57 4.941 4.746 1.244 413 2HG2 VAL 57 2HG2 VAL 57 5.871 4.594 -0.242 414 3HG2 VAL 57 3HG2 VAL 57 6.694 4.571 1.319 415 H THR 58 H THR 58 6.928 3.693 -1.629 416 HA THR 58 HA THR 58 9.536 4.803 -0.815 417 HB THR 58 HB THR 58 9.390 5.383 -3.487 418 HG1 THR 58 1HG THR 58 8.436 2.732 -3.204 419 1HG2 THR 58 1HG2 THR 58 10.677 3.075 -2.083 420 2HG2 THR 58 2HG2 THR 58 11.413 4.566 -2.672 421 3HG2 THR 58 3HG2 THR 58 10.868 3.338 -3.816 422 H CYS 59 H CYS 59 6.919 5.618 -3.088 423 HA CYS 59 HA CYS 59 5.854 7.766 -1.690 424 1HB CYS 59 2HB CYS 59 6.852 9.598 -3.275 425 2HB CYS 59 1HB CYS 59 7.730 9.110 -1.830 426 H CYS 60 H CYS 60 4.147 8.742 -2.791 427 HA CYS 60 HA CYS 60 3.686 7.844 -5.556 428 1HB CYS 60 2HB CYS 60 1.950 7.478 -3.147 429 2HB CYS 60 1HB CYS 60 1.199 7.676 -4.722 430 H SER 61 H SER 61 4.243 10.015 -6.202 431 HA SER 61 HA SER 61 2.460 12.129 -5.266 432 1HB SER 61 2HB SER 61 4.584 13.025 -5.334 433 2HB SER 61 1HB SER 61 5.058 12.074 -6.743 434 HG SER 61 HG SER 61 3.877 13.453 -8.044 435 H THR 62 H THR 62 0.615 11.043 -6.297 436 HA THR 62 HA THR 62 0.104 12.197 -8.885 437 HB THR 62 HB THR 62 -0.506 9.303 -8.876 438 HG1 THR 62 1HG THR 62 1.516 8.978 -8.220 439 1HG2 THR 62 1HG2 THR 62 -0.552 9.537 -11.085 440 2HG2 THR 62 2HG2 THR 62 0.984 10.405 -11.114 441 3HG2 THR 62 3HG2 THR 62 -0.514 11.274 -10.777 442 H ASP 63 H ASP 63 -2.180 10.719 -9.547 443 HA ASP 63 HA ASP 63 -3.899 11.126 -7.189 444 1HB ASP 63 2HB ASP 63 -5.645 12.002 -8.662 445 2HB ASP 63 1HB ASP 63 -4.179 12.971 -8.790 446 H LYS 64 H LYS 64 -2.676 8.671 -8.279 447 HA LYS 64 HA LYS 64 -4.814 6.914 -7.960 448 1HB LYS 64 2HB LYS 64 -4.824 6.002 -10.367 449 2HB LYS 64 1HB LYS 64 -5.745 7.467 -10.035 450 1HG LYS 64 2HG LYS 64 -4.376 8.778 -11.282 451 2HG LYS 64 1HG LYS 64 -2.944 7.803 -10.940 452 1HD LYS 64 2HD LYS 64 -3.567 6.163 -12.531 453 2HD LYS 64 1HD LYS 64 -5.196 6.826 -12.682 454 1HE LYS 64 2HE LYS 64 -3.025 8.709 -13.297 455 2HE LYS 64 1HE LYS 64 -3.152 7.338 -14.397 456 1HZ LYS 64 1HZ LYS 64 -4.581 9.596 -14.614 457 2HZ LYS 64 2HZ LYS 64 -5.667 8.614 -13.767 458 3HZ LYS 64 3HZ LYS 64 -5.054 8.105 -15.258 459 H CYS 65 H CYS 65 -2.257 7.082 -6.979 460 HA CYS 65 HA CYS 65 -0.495 5.276 -8.349 461 1HB CYS 65 2HB CYS 65 0.216 7.182 -6.831 462 2HB CYS 65 1HB CYS 65 -0.293 6.181 -5.476 463 H ASN 66 H ASN 66 -2.960 5.016 -5.917 464 HA ASN 66 HA ASN 66 -2.235 2.630 -4.673 465 1HB ASN 66 2HB ASN 66 -5.060 3.509 -5.280 466 2HB ASN 66 1HB ASN 66 -4.530 2.460 -3.969 467 1HD2 ASN 66 1HD2 ASN 66 -4.165 3.365 -2.069 468 2HD2 ASN 66 2HD2 ASN 66 -3.962 5.055 -1.777 469 HA PRO 67 HA PRO 67 -2.798 0.036 -8.360 470 1HB PRO 67 2HB PRO 67 -1.393 -2.005 -6.822 471 2HB PRO 67 1HB PRO 67 -0.895 -1.196 -8.308 472 1HG PRO 67 2HG PRO 67 0.335 -0.775 -5.931 473 2HG PRO 67 1HG PRO 67 0.216 0.473 -7.186 474 1HD PRO 67 2HD PRO 67 -1.434 0.114 -4.708 475 2HD PRO 67 1HD PRO 67 -0.757 1.602 -5.402 476 H HIS 68 H HIS 68 -2.944 -2.759 -7.916 477 HA HIS 68 HA HIS 68 -5.534 -2.926 -6.533 478 1HB HIS 68 2HB HIS 68 -4.479 -4.082 -9.018 479 2HB HIS 68 1HB HIS 68 -5.328 -5.241 -8.001 480 HD1 HIS 68 1HD HIS 68 -7.005 -5.156 -10.159 481 HD2 HIS 68 2HD HIS 68 -6.947 -1.829 -7.669 482 HE1 HIS 68 1HE HIS 68 -9.122 -3.898 -10.667 483 HE2 HIS 68 2HE HIS 68 -9.109 -1.939 -9.084 484 HA PRO 69 HA PRO 69 -4.290 -5.776 -3.429 485 1HB PRO 69 2HB PRO 69 -5.761 -8.072 -4.040 486 2HB PRO 69 1HB PRO 69 -6.312 -6.724 -3.043 487 1HG PRO 69 2HG PRO 69 -6.851 -7.300 -5.916 488 2HG PRO 69 1HG PRO 69 -7.920 -6.595 -4.690 489 1HD PRO 69 2HD PRO 69 -6.760 -5.076 -6.563 490 2HD PRO 69 1HD PRO 69 -6.974 -4.485 -4.902 491 H LYS 70 H LYS 70 -3.489 -8.116 -3.077 492 HA LYS 70 HA LYS 70 -1.433 -8.598 -5.055 493 1HB LYS 70 2HB LYS 70 -1.984 -9.946 -2.406 494 2HB LYS 70 1HB LYS 70 -0.569 -10.231 -3.412 495 1HG LYS 70 2HG LYS 70 -1.126 -7.432 -2.640 496 2HG LYS 70 1HG LYS 70 -0.576 -8.524 -1.375 497 1HD LYS 70 2HD LYS 70 1.229 -7.244 -2.601 498 2HD LYS 70 1HD LYS 70 1.440 -8.993 -2.518 499 1HE LYS 70 2HE LYS 70 0.620 -9.240 -4.775 500 2HE LYS 70 1HE LYS 70 0.244 -7.520 -4.862 501 1HZ LYS 70 1HZ LYS 70 2.407 -6.968 -5.160 502 2HZ LYS 70 2HZ LYS 70 2.480 -8.524 -5.816 503 3HZ LYS 70 3HZ LYS 70 2.999 -8.252 -4.230 504 H GLN 71 H GLN 71 -3.880 -10.614 -3.433 505 HA GLN 71 HA GLN 71 -3.610 -12.971 -4.744 506 1HB GLN 71 2HB GLN 71 -6.044 -11.530 -3.763 507 2HB GLN 71 1HB GLN 71 -6.219 -13.064 -4.604 508 1HG GLN 71 2HG GLN 71 -4.493 -13.944 -2.913 509 2HG GLN 71 1HG GLN 71 -4.889 -12.494 -1.988 510 1HE2 GLN 71 1HE2 GLN 71 -5.854 -15.640 -2.879 511 2HE2 GLN 71 2HE2 GLN 71 -7.349 -15.678 -2.015 512 H ARG 72 H ARG 72 -5.971 -10.529 -5.870 513 HA ARG 72 HA ARG 72 -5.437 -11.453 -8.619 514 1HB ARG 72 2HB ARG 72 -8.093 -10.309 -7.831 515 2HB ARG 72 1HB ARG 72 -7.696 -11.363 -9.179 516 1HG ARG 72 2HG ARG 72 -8.784 -12.836 -7.828 517 2HG ARG 72 1HG ARG 72 -7.128 -13.067 -7.259 518 1HD ARG 72 2HD ARG 72 -8.874 -12.809 -5.460 519 2HD ARG 72 1HD ARG 72 -7.499 -11.712 -5.352 520 HE ARG 72 HE ARG 72 -8.925 -9.957 -5.666 521 1HH1 ARG 72 1HH1 ARG 72 -10.530 -12.891 -6.664 522 2HH1 ARG 72 2HH1 ARG 72 -12.060 -12.118 -6.917 523 1HH2 ARG 72 1HH2 ARG 72 -10.936 -8.937 -5.999 524 2HH2 ARG 72 2HH2 ARG 72 -12.289 -9.873 -6.539 525 HA PRO 73 HA PRO 73 -4.475 -6.970 -8.543 526 1HB PRO 73 2HB PRO 73 -2.407 -7.084 -10.265 527 2HB PRO 73 1HB PRO 73 -2.228 -7.497 -8.556 528 1HG PRO 73 2HG PRO 73 -2.541 -9.307 -10.918 529 2HG PRO 73 1HG PRO 73 -1.453 -9.460 -9.527 530 1HD PRO 73 2HD PRO 73 -3.806 -10.825 -9.752 531 2HD PRO 73 1HD PRO 73 -3.083 -10.374 -8.197 532 H GLY 74 H GLY 74 -4.447 -9.067 -11.427 533 1HA GLY 74 2HA GLY 74 -6.249 -8.668 -13.068 534 2HA GLY 74 1HA GLY 74 -5.946 -6.948 -12.844 535 1H TYR 181 1HT TYR 181 -2.234 -17.543 25.984 536 2H TYR 181 2HT TYR 181 -3.941 -17.504 25.806 537 3H TYR 181 3HT TYR 181 -3.187 -16.621 27.070 538 HA TYR 181 HA TYR 181 -3.721 -15.065 25.487 539 1HB TYR 181 2HB TYR 181 -0.841 -15.896 25.059 540 2HB TYR 181 1HB TYR 181 -1.507 -14.292 24.772 541 HD1 TYR 181 1HD TYR 181 0.646 -15.739 26.823 542 HD2 TYR 181 2HD TYR 181 -3.111 -13.765 27.122 543 HE1 TYR 181 1HE TYR 181 1.166 -15.113 29.143 544 HE2 TYR 181 2HE TYR 181 -2.601 -13.134 29.444 545 HH TYR 181 HH TYR 181 -0.085 -14.504 31.212 546 H ARG 182 H ARG 182 -5.157 -16.392 24.058 547 HA ARG 182 HA ARG 182 -3.881 -17.177 21.539 548 1HB ARG 182 2HB ARG 182 -5.564 -18.653 22.836 549 2HB ARG 182 1HB ARG 182 -6.787 -17.566 22.196 550 1HG ARG 182 2HG ARG 182 -6.861 -18.999 20.485 551 2HG ARG 182 1HG ARG 182 -5.394 -18.179 19.947 552 1HD ARG 182 2HD ARG 182 -5.085 -20.589 19.910 553 2HD ARG 182 1HD ARG 182 -4.039 -19.850 21.124 554 HE ARG 182 HE ARG 182 -6.378 -20.602 22.414 555 1HH1 ARG 182 1HH1 ARG 182 -3.749 -22.148 20.718 556 2HH1 ARG 182 2HH1 ARG 182 -3.863 -23.619 21.624 557 1HH2 ARG 182 1HH2 ARG 182 -6.530 -22.536 23.609 558 2HH2 ARG 182 2HH2 ARG 182 -5.442 -23.840 23.266 559 H GLY 183 H GLY 183 -4.158 -16.075 19.687 560 1HA GLY 183 2HA GLY 183 -6.300 -14.085 19.508 561 2HA GLY 183 1HA GLY 183 -4.645 -13.517 19.347 562 H TRP 184 H TRP 184 -3.505 -15.525 17.853 563 HA TRP 184 HA TRP 184 -3.186 -16.180 15.697 564 1HB TRP 184 2HB TRP 184 -6.112 -16.523 16.110 565 2HB TRP 184 1HB TRP 184 -5.506 -16.616 14.460 566 HD1 TRP 184 HD TRP 184 -6.525 -18.947 16.830 567 HE1 TRP 184 1HE TRP 184 -5.158 -21.128 16.812 568 HE3 TRP 184 3HE TRP 184 -2.420 -17.310 14.257 569 HZ2 TRP 184 2HZ TRP 184 -2.670 -22.033 15.836 570 HZ3 TRP 184 3HZ TRP 184 -0.591 -18.898 13.824 571 HH2 TRP 184 HH TRP 184 -0.714 -21.210 14.599 572 H LYS 185 H LYS 185 -3.673 -13.300 16.408 573 HA LYS 185 HA LYS 185 -5.057 -11.850 14.549 574 1HB LYS 185 2HB LYS 185 -3.356 -11.212 16.547 575 2HB LYS 185 1HB LYS 185 -2.351 -10.820 15.159 576 1HG LYS 185 2HG LYS 185 -3.357 -8.826 15.284 577 2HG LYS 185 1HG LYS 185 -4.681 -9.639 14.448 578 1HD LYS 185 2HD LYS 185 -5.999 -9.678 16.293 579 2HD LYS 185 1HD LYS 185 -4.635 -9.886 17.394 580 1HE LYS 185 2HE LYS 185 -5.849 -7.690 17.576 581 2HE LYS 185 1HE LYS 185 -4.108 -7.576 17.318 582 1HZ LYS 185 1HZ LYS 185 -4.491 -7.125 14.997 583 2HZ LYS 185 2HZ LYS 185 -5.372 -6.024 15.930 584 3HZ LYS 185 3HZ LYS 185 -6.161 -7.322 15.185 585 H HIS 186 H HIS 186 -4.367 -10.681 12.632 586 HA HIS 186 HA HIS 186 -2.857 -12.414 10.850 587 1HB HIS 186 2HB HIS 186 -5.139 -11.067 10.439 588 2HB HIS 186 1HB HIS 186 -3.998 -9.842 9.884 589 HD1 HIS 186 1HD HIS 186 -5.835 -10.958 7.812 590 HD2 HIS 186 2HD HIS 186 -2.181 -12.718 8.721 591 HE1 HIS 186 1HE HIS 186 -5.213 -12.304 5.782 592 HE2 HIS 186 2HE HIS 186 -2.957 -13.288 6.321 593 H TRP 187 H TRP 187 -0.818 -12.063 10.251 594 HA TRP 187 HA TRP 187 0.884 -10.266 11.396 595 1HB TRP 187 2HB TRP 187 2.074 -10.618 8.953 596 2HB TRP 187 1HB TRP 187 2.197 -11.730 10.308 597 HD1 TRP 187 HD TRP 187 0.625 -11.383 6.853 598 HE1 TRP 187 1HE TRP 187 -0.320 -13.665 6.140 599 HE3 TRP 187 3HE TRP 187 1.198 -13.915 11.260 600 HZ2 TRP 187 2HZ TRP 187 -0.764 -16.203 7.289 601 HZ3 TRP 187 3HZ TRP 187 0.488 -16.269 11.367 602 HH2 TRP 187 HH TRP 187 -0.473 -17.387 9.421 603 H VAL 188 H VAL 188 0.565 -9.828 7.910 604 HA VAL 188 HA VAL 188 0.685 -6.977 8.245 605 HB VAL 188 HB VAL 188 0.072 -8.019 5.555 606 1HG1 VAL 188 1HG1 VAL 188 1.131 -6.154 4.970 607 2HG1 VAL 188 2HG1 VAL 188 2.557 -6.585 5.915 608 3HG1 VAL 188 3HG1 VAL 188 1.206 -5.753 6.685 609 1HG2 VAL 188 1HG2 VAL 188 1.394 -9.854 5.878 610 2HG2 VAL 188 2HG2 VAL 188 2.337 -9.089 7.158 611 3HG2 VAL 188 3HG2 VAL 188 2.641 -8.676 5.471 612 H TYR 189 H TYR 189 -0.880 -5.929 6.288 613 HA TYR 189 HA TYR 189 -3.561 -6.428 7.332 614 1HB TYR 189 2HB TYR 189 -3.313 -4.139 5.575 615 2HB TYR 189 1HB TYR 189 -3.859 -4.212 7.246 616 HD1 TYR 189 1HD TYR 189 -1.591 -2.677 5.188 617 HD2 TYR 189 2HD TYR 189 -1.730 -4.721 8.917 618 HE1 TYR 189 1HE TYR 189 0.461 -1.522 5.891 619 HE2 TYR 189 2HE TYR 189 0.323 -3.569 9.631 620 HH TYR 189 HH TYR 189 2.323 -1.894 7.502 621 H TYR 190 H TYR 190 -5.061 -5.327 5.267 622 HA TYR 190 HA TYR 190 -4.404 -6.826 2.858 623 1HB TYR 190 2HB TYR 190 -5.790 -8.274 4.466 624 2HB TYR 190 1HB TYR 190 -7.124 -7.179 4.107 625 HD1 TYR 190 1HD TYR 190 -8.429 -9.064 3.231 626 HD2 TYR 190 2HD TYR 190 -4.716 -7.959 1.466 627 HE1 TYR 190 1HE TYR 190 -8.984 -10.392 1.238 628 HE2 TYR 190 2HE TYR 190 -5.265 -9.280 -0.529 629 HH TYR 190 HH TYR 190 -7.655 -10.067 -1.617 630 H THR 191 H THR 191 -5.377 -6.046 0.990 631 HA THR 191 HA THR 191 -6.440 -3.352 1.230 632 HB THR 191 HB THR 191 -6.233 -4.386 -1.484 633 HG1 THR 191 1HG THR 191 -3.882 -4.402 0.098 634 1HG2 THR 191 1HG2 THR 191 -5.647 -1.984 -0.046 635 2HG2 THR 191 2HG2 THR 191 -5.839 -2.237 -1.781 636 3HG2 THR 191 3HG2 THR 191 -4.261 -2.466 -1.026 637 H CYS 192 H CYS 192 -7.325 -5.904 -1.087 638 HA CYS 192 HA CYS 192 -9.846 -5.139 -1.712 639 1HB CYS 192 2HB CYS 192 -9.300 -7.005 -2.908 640 2HB CYS 192 1HB CYS 192 -8.525 -7.787 -1.542 641 H CYS 193 H CYS 193 -11.839 -6.259 -1.219 642 HA CYS 193 HA CYS 193 -13.604 -6.399 0.253 643 1HB CYS 193 2HB CYS 193 -12.597 -8.343 1.978 644 2HB CYS 193 1HB CYS 193 -13.374 -8.625 0.425 645 HA PRO 194 HA PRO 194 -11.671 -3.846 3.678 646 1HB PRO 194 2HB PRO 194 -13.547 -1.756 2.915 647 2HB PRO 194 1HB PRO 194 -11.786 -1.697 2.978 648 1HG PRO 194 2HG PRO 194 -13.197 -1.631 0.654 649 2HG PRO 194 1HG PRO 194 -11.557 -2.290 0.781 650 1HD PRO 194 2HD PRO 194 -14.177 -3.732 0.676 651 2HD PRO 194 1HD PRO 194 -12.629 -4.145 -0.093 652 H ASP 195 H ASP 195 -15.029 -2.997 2.884 653 HA ASP 195 HA ASP 195 -16.455 -4.596 4.559 654 1HB ASP 195 2HB ASP 195 -14.871 -2.679 6.087 655 2HB ASP 195 1HB ASP 195 -16.596 -2.560 6.443 656 H THR 196 H THR 196 -16.013 -1.508 3.077 657 HA THR 196 HA THR 196 -18.709 -0.622 3.551 658 HB THR 196 HB THR 196 -17.874 0.989 1.544 659 HG1 THR 196 1HG THR 196 -15.683 1.252 1.640 660 1HG2 THR 196 1HG2 THR 196 -16.485 2.005 3.744 661 2HG2 THR 196 2HG2 THR 196 -17.876 1.142 4.402 662 3HG2 THR 196 3HG2 THR 196 -18.113 2.419 3.209 663 HA PRO 197 HA PRO 197 -19.104 -2.297 -1.020 664 1HB PRO 197 2HB PRO 197 -18.100 -5.018 -0.508 665 2HB PRO 197 1HB PRO 197 -17.787 -3.957 -1.883 666 1HG PRO 197 2HG PRO 197 -15.896 -4.517 -0.055 667 2HG PRO 197 1HG PRO 197 -15.990 -2.942 -0.864 668 1HD PRO 197 2HD PRO 197 -16.862 -3.715 1.892 669 2HD PRO 197 1HD PRO 197 -16.065 -2.230 1.330 670 H TYR 198 H TYR 198 -20.099 -2.470 1.806 671 HA TYR 198 HA TYR 198 -21.659 -4.829 2.089 672 1HB TYR 198 2HB TYR 198 -20.590 -3.367 3.901 673 2HB TYR 198 1HB TYR 198 -21.893 -2.217 3.597 674 HD1 TYR 198 1HD TYR 198 -23.174 -2.279 5.549 675 HD2 TYR 198 2HD TYR 198 -22.039 -5.942 3.710 676 HE1 TYR 198 1HE TYR 198 -24.616 -3.506 7.118 677 HE2 TYR 198 2HE TYR 198 -23.479 -7.180 5.272 678 HH TYR 198 HH TYR 198 -24.440 -6.817 7.573 Start of MODEL 2 1 1H ILE 1 1HT ILE 1 -2.680 17.210 -6.470 2 2H ILE 1 2HT ILE 1 -4.215 17.846 -6.897 3 3H ILE 1 3HT ILE 1 -3.131 17.325 -8.120 4 HA ILE 1 HA ILE 1 -4.954 15.795 -7.679 5 HB ILE 1 HB ILE 1 -3.409 13.777 -7.288 6 1HG1 ILE 1 2HG1 ILE 1 -1.676 15.235 -6.109 7 2HG1 ILE 1 1HG1 ILE 1 -1.068 14.098 -7.306 8 1HG2 ILE 1 1HG2 ILE 1 -2.563 13.884 -9.539 9 2HG2 ILE 1 2HG2 ILE 1 -2.758 15.637 -9.565 10 3HG2 ILE 1 3HG2 ILE 1 -4.176 14.594 -9.485 11 1HD1 ILE 1 1HD1 ILE 1 -1.507 16.423 -8.746 12 2HD1 ILE 1 2HD1 ILE 1 0.042 15.805 -8.177 13 3HD1 ILE 1 3HD1 ILE 1 -0.851 16.975 -7.206 14 H VAL 2 H VAL 2 -5.255 13.731 -6.285 15 HA VAL 2 HA VAL 2 -4.914 14.370 -3.433 16 HB VAL 2 HB VAL 2 -7.200 13.373 -3.043 17 1HG1 VAL 2 1HG1 VAL 2 -8.375 15.442 -3.471 18 2HG1 VAL 2 2HG1 VAL 2 -7.140 15.935 -4.629 19 3HG1 VAL 2 3HG1 VAL 2 -6.736 15.788 -2.920 20 1HG2 VAL 2 1HG2 VAL 2 -7.544 12.256 -5.142 21 2HG2 VAL 2 2HG2 VAL 2 -7.415 13.780 -6.021 22 3HG2 VAL 2 3HG2 VAL 2 -8.784 13.493 -4.947 23 H CYS 3 H CYS 3 -5.799 12.261 -2.160 24 HA CYS 3 HA CYS 3 -4.770 9.891 -3.573 25 1HB CYS 3 2HB CYS 3 -3.038 10.988 -2.044 26 2HB CYS 3 1HB CYS 3 -4.043 10.431 -0.704 27 H HIS 4 H HIS 4 -6.236 8.360 -3.572 28 HA HIS 4 HA HIS 4 -8.657 8.184 -2.470 29 1HB HIS 4 2HB HIS 4 -6.695 6.180 -3.339 30 2HB HIS 4 1HB HIS 4 -7.916 5.558 -2.227 31 HD1 HIS 4 1HD HIS 4 -10.299 7.298 -3.292 32 HD2 HIS 4 2HD HIS 4 -7.696 5.077 -5.650 33 HE1 HIS 4 1HE HIS 4 -11.551 6.837 -5.423 34 HE2 HIS 4 2HE HIS 4 -9.922 5.573 -6.871 35 H THR 5 H THR 5 -9.655 7.522 -0.587 36 HA THR 5 HA THR 5 -8.396 8.095 1.826 37 HB THR 5 HB THR 5 -10.685 6.217 1.917 38 HG1 THR 5 1HG THR 5 -10.734 8.691 0.561 39 1HG2 THR 5 1HG2 THR 5 -11.270 8.740 3.026 40 2HG2 THR 5 2HG2 THR 5 -9.631 8.310 3.517 41 3HG2 THR 5 3HG2 THR 5 -10.970 7.215 3.860 42 H THR 6 H THR 6 -9.072 6.039 3.599 43 HA THR 6 HA THR 6 -6.836 4.247 3.118 44 HB THR 6 HB THR 6 -7.057 5.418 5.278 45 HG1 THR 6 1HG THR 6 -7.238 2.593 5.338 46 1HG2 THR 6 1HG2 THR 6 -9.407 3.620 5.807 47 2HG2 THR 6 2HG2 THR 6 -9.529 5.342 5.446 48 3HG2 THR 6 3HG2 THR 6 -8.692 4.804 6.902 49 H ALA 7 H ALA 7 -8.974 3.661 1.427 50 HA ALA 7 HA ALA 7 -9.500 0.926 2.253 51 1HB ALA 7 1HB ALA 7 -11.969 1.941 1.206 52 2HB ALA 7 2HB ALA 7 -11.481 2.877 2.618 53 3HB ALA 7 3HB ALA 7 -11.654 1.128 2.738 54 H THR 8 H THR 8 -10.996 -0.082 0.348 55 HA THR 8 HA THR 8 -9.342 -0.132 -1.896 56 HB THR 8 HB THR 8 -10.625 -2.040 -1.639 57 HG1 THR 8 1HG THR 8 -10.854 -1.950 -3.720 58 1HG2 THR 8 1HG2 THR 8 -12.644 -0.337 -0.632 59 2HG2 THR 8 2HG2 THR 8 -12.550 -2.095 -0.585 60 3HG2 THR 8 3HG2 THR 8 -13.326 -1.296 -1.945 61 H SER 9 H SER 9 -12.539 0.328 -3.103 62 HA SER 9 HA SER 9 -11.769 3.008 -4.037 63 1HB SER 9 2HB SER 9 -12.867 2.490 -6.179 64 2HB SER 9 1HB SER 9 -11.530 1.395 -5.829 65 HG SER 9 HG SER 9 -13.013 -0.173 -5.223 66 HA PRO 10 HA PRO 10 -16.518 2.953 -3.125 67 1HB PRO 10 2HB PRO 10 -17.102 2.245 -0.624 68 2HB PRO 10 1HB PRO 10 -16.894 1.013 -1.880 69 1HG PRO 10 2HG PRO 10 -14.907 1.976 0.159 70 2HG PRO 10 1HG PRO 10 -15.360 0.307 -0.244 71 1HD PRO 10 2HD PRO 10 -13.159 1.488 -1.268 72 2HD PRO 10 1HD PRO 10 -14.115 0.301 -2.178 73 H ILE 11 H ILE 11 -13.889 3.745 -0.999 74 HA ILE 11 HA ILE 11 -14.974 5.658 0.661 75 HB ILE 11 HB ILE 11 -12.781 6.483 1.022 76 1HG1 ILE 11 2HG1 ILE 11 -12.128 6.944 -1.285 77 2HG1 ILE 11 1HG1 ILE 11 -10.892 5.973 -0.494 78 1HG2 ILE 11 1HG2 ILE 11 -11.609 4.519 1.557 79 2HG2 ILE 11 2HG2 ILE 11 -12.340 3.625 0.223 80 3HG2 ILE 11 3HG2 ILE 11 -13.317 4.082 1.620 81 1HD1 ILE 11 1HD1 ILE 11 -11.955 3.962 -1.571 82 2HD1 ILE 11 2HD1 ILE 11 -11.158 5.096 -2.662 83 3HD1 ILE 11 3HD1 ILE 11 -12.917 5.091 -2.524 84 H SER 12 H SER 12 -13.577 8.037 0.244 85 HA SER 12 HA SER 12 -13.989 9.183 -2.299 86 1HB SER 12 2HB SER 12 -16.389 8.785 -1.288 87 2HB SER 12 1HB SER 12 -16.014 10.241 -0.364 88 HG SER 12 HG SER 12 -16.099 11.409 -2.141 89 H ALA 13 H ALA 13 -13.806 9.660 1.186 90 HA ALA 13 HA ALA 13 -12.941 12.359 1.113 91 1HB ALA 13 1HB ALA 13 -13.134 10.229 3.148 92 2HB ALA 13 2HB ALA 13 -13.660 11.910 3.210 93 3HB ALA 13 3HB ALA 13 -11.961 11.508 3.464 94 H VAL 14 H VAL 14 -11.429 11.807 -0.764 95 HA VAL 14 HA VAL 14 -8.784 11.049 0.271 96 HB VAL 14 HB VAL 14 -8.600 9.666 -1.439 97 1HG1 VAL 14 1HG1 VAL 14 -11.014 9.431 -1.409 98 2HG1 VAL 14 2HG1 VAL 14 -10.382 9.263 -3.046 99 3HG1 VAL 14 3HG1 VAL 14 -11.165 10.765 -2.554 100 1HG2 VAL 14 1HG2 VAL 14 -7.528 11.553 -2.584 101 2HG2 VAL 14 2HG2 VAL 14 -9.074 11.974 -3.313 102 3HG2 VAL 14 3HG2 VAL 14 -8.298 10.439 -3.709 103 H THR 15 H THR 15 -7.118 12.427 0.103 104 HA THR 15 HA THR 15 -6.437 14.380 -1.586 105 HB THR 15 HB THR 15 -8.536 15.499 -1.503 106 HG1 THR 15 1HG THR 15 -6.962 17.017 -1.398 107 1HG2 THR 15 1HG2 THR 15 -8.740 16.254 1.246 108 2HG2 THR 15 2HG2 THR 15 -8.741 14.499 1.085 109 3HG2 THR 15 3HG2 THR 15 -9.923 15.466 0.203 110 H CYS 16 H CYS 16 -4.432 14.930 -0.919 111 HA CYS 16 HA CYS 16 -3.898 14.903 1.983 112 1HB CYS 16 2HB CYS 16 -2.880 13.198 0.174 113 2HB CYS 16 1HB CYS 16 -1.667 14.472 0.086 114 HA PRO 17 HA PRO 17 -2.457 19.019 -0.418 115 1HB PRO 17 2HB PRO 17 -4.690 20.060 1.270 116 2HB PRO 17 1HB PRO 17 -4.114 20.616 -0.305 117 1HG PRO 17 2HG PRO 17 -6.330 19.144 -0.086 118 2HG PRO 17 1HG PRO 17 -5.217 18.945 -1.451 119 1HD PRO 17 2HD PRO 17 -5.673 17.180 0.889 120 2HD PRO 17 1HD PRO 17 -5.136 16.778 -0.753 121 HA PRO 18 HA PRO 18 -2.261 20.557 4.303 122 1HB PRO 18 2HB PRO 18 -2.488 18.251 5.916 123 2HB PRO 18 1HB PRO 18 -3.631 19.590 5.814 124 1HG PRO 18 2HG PRO 18 -3.693 16.940 4.474 125 2HG PRO 18 1HG PRO 18 -5.035 17.952 5.032 126 1HD PRO 18 2HD PRO 18 -4.439 17.737 2.438 127 2HD PRO 18 1HD PRO 18 -4.990 19.277 3.125 128 H GLY 19 H GLY 19 -0.648 19.742 6.112 129 1HA GLY 19 2HA GLY 19 1.858 19.540 5.106 130 2HA GLY 19 1HA GLY 19 1.422 18.888 6.680 131 H GLU 20 H GLU 20 2.033 18.176 3.339 132 HA GLU 20 HA GLU 20 3.224 15.767 3.582 133 1HB GLU 20 2HB GLU 20 0.323 15.496 3.963 134 2HB GLU 20 1HB GLU 20 0.976 14.430 2.727 135 1HG GLU 20 2HG GLU 20 2.212 13.226 4.213 136 2HG GLU 20 1HG GLU 20 2.388 14.575 5.332 137 H ASN 21 H ASN 21 2.522 14.261 1.465 138 HA ASN 21 HA ASN 21 1.587 15.580 -0.816 139 1HB ASN 21 2HB ASN 21 4.400 16.116 -0.121 140 2HB ASN 21 1HB ASN 21 4.146 15.578 -1.782 141 1HD2 ASN 21 1HD2 ASN 21 4.970 18.179 -0.690 142 2HD2 ASN 21 2HD2 ASN 21 3.842 19.326 -1.319 143 H LEU 22 H LEU 22 4.615 13.759 -0.624 144 HA LEU 22 HA LEU 22 3.925 11.891 -2.580 145 1HB LEU 22 2HB LEU 22 6.225 12.422 -1.782 146 2HB LEU 22 1HB LEU 22 5.885 11.523 -0.317 147 HG LEU 22 HG LEU 22 7.228 10.327 -2.103 148 1HD1 LEU 22 1HD1 LEU 22 6.449 8.290 -1.410 149 2HD1 LEU 22 2HD1 LEU 22 4.758 8.772 -1.528 150 3HD1 LEU 22 3HD1 LEU 22 5.746 9.342 -0.182 151 1HD2 LEU 22 1HD2 LEU 22 5.674 11.183 -3.933 152 2HD2 LEU 22 2HD2 LEU 22 4.569 9.908 -3.421 153 3HD2 LEU 22 3HD2 LEU 22 6.173 9.497 -4.021 154 H CYS 23 H CYS 23 1.899 10.971 -2.185 155 HA CYS 23 HA CYS 23 1.143 9.759 0.256 156 1HB CYS 23 2HB CYS 23 -0.322 10.510 -1.748 157 2HB CYS 23 1HB CYS 23 0.024 8.902 -2.387 158 H TYR 24 H TYR 24 3.426 8.703 0.341 159 HA TYR 24 HA TYR 24 4.211 6.537 -1.122 160 1HB TYR 24 2HB TYR 24 5.605 5.932 0.675 161 2HB TYR 24 1HB TYR 24 5.407 7.671 0.818 162 HD1 TYR 24 1HD TYR 24 4.192 4.432 2.182 163 HD2 TYR 24 2HD TYR 24 4.596 8.621 2.807 164 HE1 TYR 24 1HE TYR 24 3.481 4.145 4.517 165 HE2 TYR 24 2HE TYR 24 3.883 8.346 5.144 166 HH TYR 24 HH TYR 24 3.763 5.379 6.693 167 H ARG 25 H ARG 25 3.918 4.335 -1.078 168 HA ARG 25 HA ARG 25 1.769 3.269 0.601 169 1HB ARG 25 2HB ARG 25 0.670 2.194 -1.241 170 2HB ARG 25 1HB ARG 25 0.826 3.902 -1.627 171 1HG ARG 25 2HG ARG 25 1.726 3.307 -3.560 172 2HG ARG 25 1HG ARG 25 3.126 2.715 -2.665 173 1HD ARG 25 2HD ARG 25 2.659 0.661 -3.365 174 2HD ARG 25 1HD ARG 25 1.144 0.724 -2.466 175 HE ARG 25 HE ARG 25 0.738 2.037 -4.887 176 1HH1 ARG 25 1HH1 ARG 25 1.468 -1.183 -3.755 177 2HH1 ARG 25 2HH1 ARG 25 0.693 -1.963 -5.092 178 1HH2 ARG 25 1HH2 ARG 25 -0.281 1.012 -6.646 179 2HH2 ARG 25 2HH2 ARG 25 -0.300 -0.718 -6.734 180 H LYS 26 H LYS 26 2.103 1.214 1.300 181 HA LYS 26 HA LYS 26 4.728 0.102 0.903 182 1HB LYS 26 2HB LYS 26 2.969 0.050 2.976 183 2HB LYS 26 1HB LYS 26 2.700 -1.541 2.280 184 1HG LYS 26 2HG LYS 26 4.592 -2.326 3.130 185 2HG LYS 26 1HG LYS 26 5.520 -0.960 2.508 186 1HD LYS 26 2HD LYS 26 4.900 0.380 4.426 187 2HD LYS 26 1HD LYS 26 3.855 -0.910 5.025 188 1HE LYS 26 2HE LYS 26 5.584 -1.733 6.151 189 2HE LYS 26 1HE LYS 26 6.389 -2.063 4.617 190 1HZ LYS 26 1HZ LYS 26 7.554 -0.068 4.715 191 2HZ LYS 26 2HZ LYS 26 7.600 -0.624 6.312 192 3HZ LYS 26 3HZ LYS 26 6.524 0.606 5.876 193 H MET 27 H MET 27 5.228 -1.971 0.060 194 HA MET 27 HA MET 27 3.124 -3.330 -1.451 195 1HB MET 27 2HB MET 27 4.711 -3.479 -3.434 196 2HB MET 27 1HB MET 27 3.941 -1.923 -3.161 197 1HG MET 27 2HG MET 27 5.936 -1.027 -2.204 198 2HG MET 27 1HG MET 27 6.714 -2.608 -2.227 199 1HE MET 27 1HE MET 27 8.159 -3.142 -5.436 200 2HE MET 27 2HE MET 27 6.496 -3.725 -5.485 201 3HE MET 27 3HE MET 27 7.426 -3.835 -3.990 202 H TRP 28 H TRP 28 3.464 -4.856 0.271 203 HA TRP 28 HA TRP 28 5.867 -6.144 0.857 204 1HB TRP 28 2HB TRP 28 3.930 -6.367 2.299 205 2HB TRP 28 1HB TRP 28 3.026 -7.184 1.030 206 HD1 TRP 28 HD TRP 28 3.387 -9.769 0.768 207 HE1 TRP 28 1HE TRP 28 4.706 -11.525 2.110 208 HE3 TRP 28 3HE TRP 28 6.170 -6.634 3.695 209 HZ2 TRP 28 2HZ TRP 28 6.668 -11.575 4.139 210 HZ3 TRP 28 3HZ TRP 28 7.744 -7.616 5.310 211 HH2 TRP 28 HH TRP 28 7.988 -10.035 5.527 212 H CYS 29 H CYS 29 6.837 -6.402 -1.262 213 HA CYS 29 HA CYS 29 6.569 -9.048 -2.238 214 1HB CYS 29 2HB CYS 29 4.654 -7.486 -3.315 215 2HB CYS 29 1HB CYS 29 5.965 -7.174 -4.453 216 H ASP 30 H ASP 30 8.591 -9.586 -2.672 217 HA ASP 30 HA ASP 30 10.565 -7.562 -3.286 218 1HB ASP 30 2HB ASP 30 10.595 -10.067 -2.008 219 2HB ASP 30 1HB ASP 30 11.564 -10.271 -3.465 220 H ALA 31 H ALA 31 12.322 -9.087 -4.889 221 HA ALA 31 HA ALA 31 11.510 -8.386 -7.455 222 1HB ALA 31 1HB ALA 31 13.341 -10.171 -8.088 223 2HB ALA 31 2HB ALA 31 13.667 -10.115 -6.355 224 3HB ALA 31 3HB ALA 31 13.778 -8.644 -7.321 225 H PHE 32 H PHE 32 11.192 -11.456 -5.739 226 HA PHE 32 HA PHE 32 9.806 -12.589 -8.064 227 1HB PHE 32 2HB PHE 32 10.753 -14.024 -5.575 228 2HB PHE 32 1HB PHE 32 10.148 -14.763 -7.053 229 HD1 PHE 32 1HD PHE 32 11.593 -15.259 -8.823 230 HD2 PHE 32 2HD PHE 32 12.908 -12.716 -5.675 231 HE1 PHE 32 1HE PHE 32 13.885 -15.356 -9.709 232 HE2 PHE 32 2HE PHE 32 15.204 -12.806 -6.555 233 HZ PHE 32 HZ PHE 32 15.695 -14.127 -8.575 234 H CYS 33 H CYS 33 9.393 -13.280 -4.610 235 HA CYS 33 HA CYS 33 7.466 -13.715 -3.437 236 1HB CYS 33 2HB CYS 33 6.102 -11.643 -3.139 237 2HB CYS 33 1HB CYS 33 7.833 -11.400 -2.928 238 H SER 34 H SER 34 7.270 -14.625 -6.212 239 HA SER 34 HA SER 34 5.744 -15.309 -7.761 240 1HB SER 34 2HB SER 34 4.468 -15.632 -5.103 241 2HB SER 34 1HB SER 34 3.409 -15.788 -6.504 242 HG SER 34 HG SER 34 5.869 -17.169 -6.327 243 H SER 35 H SER 35 3.246 -13.763 -5.803 244 HA SER 35 HA SER 35 3.074 -11.342 -7.205 245 1HB SER 35 2HB SER 35 1.180 -11.737 -8.676 246 2HB SER 35 1HB SER 35 2.483 -12.848 -9.098 247 HG SER 35 HG SER 35 1.258 -14.469 -8.556 248 H ARG 36 H ARG 36 2.889 -11.143 -4.787 249 HA ARG 36 HA ARG 36 0.084 -11.433 -3.939 250 1HB ARG 36 2HB ARG 36 2.639 -11.524 -2.340 251 2HB ARG 36 1HB ARG 36 1.060 -11.326 -1.591 252 1HG ARG 36 2HG ARG 36 0.525 -13.486 -1.852 253 2HG ARG 36 1HG ARG 36 1.249 -13.576 -3.460 254 1HD ARG 36 2HD ARG 36 3.370 -14.019 -2.615 255 2HD ARG 36 1HD ARG 36 2.972 -13.382 -1.020 256 HE ARG 36 HE ARG 36 1.328 -15.556 -1.380 257 1HH1 ARG 36 1HH1 ARG 36 4.771 -14.986 -1.339 258 2HH1 ARG 36 2HH1 ARG 36 5.152 -16.568 -0.749 259 1HH2 ARG 36 1HH2 ARG 36 1.828 -17.639 -0.603 260 2HH2 ARG 36 2HH2 ARG 36 3.482 -18.075 -0.330 261 H GLY 37 H GLY 37 2.587 -9.539 -2.318 262 1HA GLY 37 2HA GLY 37 2.620 -7.324 -1.710 263 2HA GLY 37 1HA GLY 37 2.143 -7.028 -3.372 264 H LYS 38 H LYS 38 0.020 -8.867 -1.330 265 HA LYS 38 HA LYS 38 -2.013 -6.853 -1.618 266 1HB LYS 38 2HB LYS 38 -3.514 -8.512 -0.832 267 2HB LYS 38 1HB LYS 38 -2.351 -9.330 -1.862 268 1HG LYS 38 2HG LYS 38 -1.389 -9.381 0.820 269 2HG LYS 38 1HG LYS 38 -3.058 -9.951 0.790 270 1HD LYS 38 2HD LYS 38 -2.525 -11.627 -0.833 271 2HD LYS 38 1HD LYS 38 -0.905 -10.965 -1.060 272 1HE LYS 38 2HE LYS 38 -1.729 -11.835 1.668 273 2HE LYS 38 1HE LYS 38 -1.328 -13.067 0.474 274 1HZ LYS 38 1HZ LYS 38 0.839 -12.166 0.222 275 2HZ LYS 38 2HZ LYS 38 0.565 -12.325 1.884 276 3HZ LYS 38 3HZ LYS 38 0.464 -10.803 1.153 277 H VAL 39 H VAL 39 -0.147 -5.636 -0.118 278 HA VAL 39 HA VAL 39 -1.446 -5.489 2.508 279 HB VAL 39 HB VAL 39 0.790 -6.760 2.558 280 1HG1 VAL 39 1HG1 VAL 39 2.170 -5.401 1.216 281 2HG1 VAL 39 2HG1 VAL 39 2.741 -5.199 2.870 282 3HG1 VAL 39 3HG1 VAL 39 1.759 -3.946 2.120 283 1HG2 VAL 39 1HG2 VAL 39 1.068 -4.574 4.482 284 2HG2 VAL 39 2HG2 VAL 39 0.832 -6.301 4.748 285 3HG2 VAL 39 3HG2 VAL 39 -0.553 -5.264 4.405 286 H VAL 40 H VAL 40 -1.109 -3.917 -0.187 287 HA VAL 40 HA VAL 40 0.193 -1.543 0.120 288 HB VAL 40 HB VAL 40 -0.975 -2.192 -1.936 289 1HG1 VAL 40 1HG1 VAL 40 -3.575 -1.118 -1.289 290 2HG1 VAL 40 2HG1 VAL 40 -3.185 -2.505 -0.271 291 3HG1 VAL 40 3HG1 VAL 40 -3.146 -2.661 -2.027 292 1HG2 VAL 40 1HG2 VAL 40 -2.132 0.452 -1.157 293 2HG2 VAL 40 2HG2 VAL 40 -1.373 -0.037 -2.672 294 3HG2 VAL 40 3HG2 VAL 40 -0.382 0.243 -1.241 295 H GLU 41 H GLU 41 -0.415 0.565 0.730 296 HA GLU 41 HA GLU 41 -2.773 1.230 2.112 297 1HB GLU 41 2HB GLU 41 -1.873 1.440 4.399 298 2HB GLU 41 1HB GLU 41 -1.909 -0.234 3.860 299 1HG GLU 41 2HG GLU 41 0.193 -0.337 4.570 300 2HG GLU 41 1HG GLU 41 0.598 0.574 3.116 301 H LEU 42 H LEU 42 -2.955 3.398 2.083 302 HA LEU 42 HA LEU 42 -1.174 5.040 0.784 303 1HB LEU 42 2HB LEU 42 -2.459 6.891 1.529 304 2HB LEU 42 1HB LEU 42 -3.567 5.547 1.328 305 HG LEU 42 HG LEU 42 -2.441 6.443 3.983 306 1HD1 LEU 42 1HD1 LEU 42 -4.206 7.806 4.298 307 2HD1 LEU 42 2HD1 LEU 42 -5.302 6.779 3.373 308 3HD1 LEU 42 3HD1 LEU 42 -4.202 7.873 2.535 309 1HD2 LEU 42 1HD2 LEU 42 -4.397 4.333 3.146 310 2HD2 LEU 42 2HD2 LEU 42 -4.453 5.044 4.759 311 3HD2 LEU 42 3HD2 LEU 42 -3.003 4.195 4.220 312 H GLY 43 H GLY 43 -0.279 7.167 1.908 313 1HA GLY 43 2HA GLY 43 0.923 6.681 4.495 314 2HA GLY 43 1HA GLY 43 2.051 6.612 3.149 315 H CYS 44 H CYS 44 1.928 8.576 1.644 316 HA CYS 44 HA CYS 44 2.140 10.809 1.320 317 1HB CYS 44 2HB CYS 44 -0.131 10.620 3.005 318 2HB CYS 44 1HB CYS 44 0.848 11.971 3.585 319 H ALA 45 H ALA 45 4.249 11.081 1.567 320 HA ALA 45 HA ALA 45 5.216 11.933 4.211 321 1HB ALA 45 1HB ALA 45 7.308 10.798 3.854 322 2HB ALA 45 2HB ALA 45 6.808 10.297 2.239 323 3HB ALA 45 3HB ALA 45 5.995 9.638 3.658 324 H ALA 46 H ALA 46 7.922 12.213 2.659 325 HA ALA 46 HA ALA 46 7.456 14.245 0.725 326 1HB ALA 46 1HB ALA 46 8.446 15.196 3.409 327 2HB ALA 46 2HB ALA 46 6.836 15.490 2.755 328 3HB ALA 46 3HB ALA 46 8.251 16.172 1.953 329 H THR 47 H THR 47 9.045 11.866 0.922 330 HA THR 47 HA THR 47 11.452 12.802 -0.184 331 HB THR 47 HB THR 47 12.054 13.447 2.067 332 HG1 THR 47 1HG THR 47 13.912 12.773 1.370 333 1HG2 THR 47 1HG2 THR 47 11.306 12.345 3.828 334 2HG2 THR 47 2HG2 THR 47 12.429 11.043 3.435 335 3HG2 THR 47 3HG2 THR 47 10.775 10.998 2.822 336 H CYS 48 H CYS 48 9.530 10.885 -0.891 337 HA CYS 48 HA CYS 48 9.213 8.656 -1.426 338 1HB CYS 48 2HB CYS 48 12.146 8.960 -2.092 339 2HB CYS 48 1HB CYS 48 11.057 7.748 -2.751 340 HA PRO 49 HA PRO 49 10.961 7.018 2.619 341 1HB PRO 49 2HB PRO 49 8.657 5.478 2.967 342 2HB PRO 49 1HB PRO 49 8.975 7.035 3.735 343 1HG PRO 49 2HG PRO 49 7.357 6.411 1.309 344 2HG PRO 49 1HG PRO 49 7.059 7.610 2.580 345 1HD PRO 49 2HD PRO 49 7.994 8.332 0.176 346 2HD PRO 49 1HD PRO 49 8.554 9.135 1.660 347 H SER 50 H SER 50 9.672 5.826 -0.332 348 HA SER 50 HA SER 50 9.757 3.158 -0.365 349 1HB SER 50 2HB SER 50 9.343 4.562 -2.331 350 2HB SER 50 1HB SER 50 11.054 4.976 -2.406 351 HG SER 50 HG SER 50 10.385 3.235 -3.830 352 H LYS 51 H LYS 51 12.710 4.847 -1.417 353 HA LYS 51 HA LYS 51 14.914 4.410 -1.082 354 1HB LYS 51 2HB LYS 51 14.107 2.632 1.218 355 2HB LYS 51 1HB LYS 51 15.643 3.454 0.978 356 1HG LYS 51 2HG LYS 51 13.190 5.113 1.185 357 2HG LYS 51 1HG LYS 51 13.825 4.366 2.651 358 1HD LYS 51 2HD LYS 51 15.780 5.585 2.586 359 2HD LYS 51 1HD LYS 51 15.689 5.834 0.841 360 1HE LYS 51 2HE LYS 51 13.913 7.436 1.110 361 2HE LYS 51 1HE LYS 51 13.822 7.103 2.839 362 1HZ LYS 51 1HZ LYS 51 15.188 9.129 1.841 363 2HZ LYS 51 2HZ LYS 51 16.409 7.958 1.807 364 3HZ LYS 51 3HZ LYS 51 15.645 8.341 3.267 365 H LYS 52 H LYS 52 16.189 2.032 -0.247 366 HA LYS 52 HA LYS 52 15.552 0.339 -2.538 367 1HB LYS 52 2HB LYS 52 17.984 -0.075 -0.855 368 2HB LYS 52 1HB LYS 52 17.773 -0.271 -2.590 369 1HG LYS 52 2HG LYS 52 18.034 2.322 -1.091 370 2HG LYS 52 1HG LYS 52 19.210 1.599 -2.188 371 1HD LYS 52 2HD LYS 52 16.486 2.085 -3.255 372 2HD LYS 52 1HD LYS 52 17.491 3.502 -2.948 373 1HE LYS 52 2HE LYS 52 19.226 2.637 -4.379 374 2HE LYS 52 1HE LYS 52 18.349 1.123 -4.589 375 1HZ LYS 52 1HZ LYS 52 16.961 2.033 -6.088 376 2HZ LYS 52 2HZ LYS 52 18.217 3.145 -6.305 377 3HZ LYS 52 3HZ LYS 52 16.905 3.536 -5.312 378 HA PRO 53 HA PRO 53 14.671 -3.630 -0.630 379 1HB PRO 53 2HB PRO 53 17.460 -3.991 0.418 380 2HB PRO 53 1HB PRO 53 16.355 -5.196 -0.260 381 1HG PRO 53 2HG PRO 53 18.263 -4.170 -1.776 382 2HG PRO 53 1HG PRO 53 16.635 -4.415 -2.439 383 1HD PRO 53 2HD PRO 53 18.001 -1.903 -1.651 384 2HD PRO 53 1HD PRO 53 16.765 -2.168 -2.896 385 H TYR 54 H TYR 54 16.619 -1.458 1.400 386 HA TYR 54 HA TYR 54 16.099 -2.526 3.908 387 1HB TYR 54 2HB TYR 54 15.812 0.407 3.799 388 2HB TYR 54 1HB TYR 54 16.930 -0.588 4.734 389 HD1 TYR 54 1HD TYR 54 18.594 -1.960 3.071 390 HD2 TYR 54 2HD TYR 54 16.825 1.824 2.307 391 HE1 TYR 54 1HE TYR 54 20.341 -1.495 1.431 392 HE2 TYR 54 2HE TYR 54 18.570 2.317 0.673 393 HH TYR 54 HH TYR 54 20.800 1.652 0.077 394 H GLU 55 H GLU 55 13.856 -0.986 1.758 395 HA GLU 55 HA GLU 55 11.733 -1.462 3.727 396 1HB GLU 55 2HB GLU 55 11.554 0.932 1.941 397 2HB GLU 55 1HB GLU 55 10.725 0.613 3.457 398 1HG GLU 55 2HG GLU 55 13.095 0.761 4.494 399 2HG GLU 55 1HG GLU 55 13.507 1.590 2.994 400 H GLU 56 H GLU 56 9.555 -0.738 2.307 401 HA GLU 56 HA GLU 56 9.708 -2.328 -0.166 402 1HB GLU 56 2HB GLU 56 8.185 -2.811 2.230 403 2HB GLU 56 1HB GLU 56 7.097 -2.550 0.874 404 1HG GLU 56 2HG GLU 56 7.537 -4.548 0.024 405 2HG GLU 56 1HG GLU 56 9.276 -4.307 0.162 406 H VAL 57 H VAL 57 8.309 0.353 1.560 407 HA VAL 57 HA VAL 57 6.253 1.222 0.021 408 HB VAL 57 HB VAL 57 8.232 3.317 0.765 409 1HG1 VAL 57 1HG1 VAL 57 5.264 2.969 0.869 410 2HG1 VAL 57 2HG1 VAL 57 6.215 4.188 0.022 411 3HG1 VAL 57 3HG1 VAL 57 6.071 4.246 1.776 412 1HG2 VAL 57 1HG2 VAL 57 8.607 2.063 2.679 413 2HG2 VAL 57 2HG2 VAL 57 6.966 1.415 2.698 414 3HG2 VAL 57 3HG2 VAL 57 7.257 3.092 3.160 415 H THR 58 H THR 58 6.199 3.111 -1.500 416 HA THR 58 HA THR 58 8.437 3.270 -3.357 417 HB THR 58 HB THR 58 6.133 3.055 -4.987 418 HG1 THR 58 1HG THR 58 6.385 0.907 -3.153 419 1HG2 THR 58 1HG2 THR 58 7.362 1.607 -6.197 420 2HG2 THR 58 2HG2 THR 58 7.925 0.724 -4.777 421 3HG2 THR 58 3HG2 THR 58 8.665 2.265 -5.209 422 H CYS 59 H CYS 59 8.720 5.338 -4.006 423 HA CYS 59 HA CYS 59 7.257 7.462 -3.028 424 1HB CYS 59 2HB CYS 59 9.560 7.330 -4.360 425 2HB CYS 59 1HB CYS 59 8.526 7.799 -5.710 426 H CYS 60 H CYS 60 5.134 7.663 -3.246 427 HA CYS 60 HA CYS 60 3.745 6.844 -5.611 428 1HB CYS 60 2HB CYS 60 3.085 7.512 -2.881 429 2HB CYS 60 1HB CYS 60 1.961 8.284 -3.992 430 H SER 61 H SER 61 2.694 9.852 -4.152 431 HA SER 61 HA SER 61 2.035 11.781 -5.213 432 1HB SER 61 2HB SER 61 4.174 12.492 -4.489 433 2HB SER 61 1HB SER 61 4.994 11.564 -5.749 434 HG SER 61 HG SER 61 3.580 13.986 -5.951 435 H THR 62 H THR 62 0.587 11.012 -6.820 436 HA THR 62 HA THR 62 1.109 11.795 -9.422 437 HB THR 62 HB THR 62 2.640 10.076 -9.817 438 HG1 THR 62 1HG THR 62 1.289 9.934 -11.503 439 1HG2 THR 62 1HG2 THR 62 1.863 8.788 -7.685 440 2HG2 THR 62 2HG2 THR 62 2.642 7.935 -9.017 441 3HG2 THR 62 3HG2 THR 62 0.889 7.880 -8.840 442 H ASP 63 H ASP 63 -0.518 8.962 -7.947 443 HA ASP 63 HA ASP 63 -3.064 10.060 -8.934 444 1HB ASP 63 2HB ASP 63 -2.449 7.106 -8.937 445 2HB ASP 63 1HB ASP 63 -3.792 7.936 -9.716 446 H LYS 64 H LYS 64 -4.635 7.877 -7.947 447 HA LYS 64 HA LYS 64 -4.853 8.701 -5.220 448 1HB LYS 64 2HB LYS 64 -6.410 6.422 -6.379 449 2HB LYS 64 1HB LYS 64 -6.915 7.610 -5.182 450 1HG LYS 64 2HG LYS 64 -6.589 8.018 -8.144 451 2HG LYS 64 1HG LYS 64 -8.081 8.057 -7.206 452 1HD LYS 64 2HD LYS 64 -6.321 9.936 -6.039 453 2HD LYS 64 1HD LYS 64 -6.262 10.187 -7.785 454 1HE LYS 64 2HE LYS 64 -8.921 9.907 -7.425 455 2HE LYS 64 1HE LYS 64 -8.468 10.615 -5.875 456 1HZ LYS 64 1HZ LYS 64 -7.193 12.288 -7.357 457 2HZ LYS 64 2HZ LYS 64 -8.865 12.460 -7.163 458 3HZ LYS 64 3HZ LYS 64 -8.245 11.764 -8.575 459 H CYS 65 H CYS 65 -2.888 6.543 -6.619 460 HA CYS 65 HA CYS 65 -1.867 4.563 -6.014 461 1HB CYS 65 2HB CYS 65 -1.674 6.405 -3.646 462 2HB CYS 65 1HB CYS 65 -0.850 4.850 -3.668 463 H ASN 66 H ASN 66 -4.624 4.115 -5.801 464 HA ASN 66 HA ASN 66 -4.660 2.284 -3.505 465 1HB ASN 66 2HB ASN 66 -6.605 4.419 -4.165 466 2HB ASN 66 1HB ASN 66 -7.281 2.880 -3.644 467 1HD2 ASN 66 1HD2 ASN 66 -4.768 5.213 -2.752 468 2HD2 ASN 66 2HD2 ASN 66 -4.998 5.067 -1.046 469 HA PRO 67 HA PRO 67 -6.074 0.290 -7.523 470 1HB PRO 67 2HB PRO 67 -3.901 -1.133 -8.180 471 2HB PRO 67 1HB PRO 67 -4.057 0.569 -8.629 472 1HG PRO 67 2HG PRO 67 -2.512 -0.664 -6.384 473 2HG PRO 67 1HG PRO 67 -2.046 0.653 -7.474 474 1HD PRO 67 2HD PRO 67 -3.009 1.021 -4.922 475 2HD PRO 67 1HD PRO 67 -3.117 2.231 -6.216 476 H HIS 68 H HIS 68 -5.501 -2.292 -7.991 477 HA HIS 68 HA HIS 68 -6.752 -3.647 -5.834 478 1HB HIS 68 2HB HIS 68 -5.411 -4.698 -8.330 479 2HB HIS 68 1HB HIS 68 -6.331 -5.694 -7.207 480 HD1 HIS 68 1HD HIS 68 -6.730 -3.978 -10.281 481 HD2 HIS 68 2HD HIS 68 -9.117 -4.499 -6.920 482 HE1 HIS 68 1HE HIS 68 -9.076 -3.477 -11.037 483 HE2 HIS 68 2HE HIS 68 -10.484 -3.687 -8.959 484 HA PRO 69 HA PRO 69 -2.930 -4.177 -3.498 485 1HB PRO 69 2HB PRO 69 -4.704 -5.817 -1.788 486 2HB PRO 69 1HB PRO 69 -3.681 -4.443 -1.359 487 1HG PRO 69 2HG PRO 69 -6.339 -4.201 -1.479 488 2HG PRO 69 1HG PRO 69 -5.268 -2.889 -2.003 489 1HD PRO 69 2HD PRO 69 -6.791 -4.869 -3.653 490 2HD PRO 69 1HD PRO 69 -6.523 -3.136 -3.934 491 H LYS 70 H LYS 70 -5.071 -7.027 -3.249 492 HA LYS 70 HA LYS 70 -2.869 -8.813 -3.520 493 1HB LYS 70 2HB LYS 70 -5.427 -8.977 -2.501 494 2HB LYS 70 1HB LYS 70 -5.518 -9.966 -3.951 495 1HG LYS 70 2HG LYS 70 -3.211 -10.878 -2.898 496 2HG LYS 70 1HG LYS 70 -4.075 -10.422 -1.429 497 1HD LYS 70 2HD LYS 70 -4.454 -12.781 -2.091 498 2HD LYS 70 1HD LYS 70 -5.938 -11.830 -2.017 499 1HE LYS 70 2HE LYS 70 -6.178 -11.785 -4.317 500 2HE LYS 70 1HE LYS 70 -4.467 -12.103 -4.602 501 1HZ LYS 70 1HZ LYS 70 -5.946 -14.194 -3.224 502 2HZ LYS 70 2HZ LYS 70 -4.758 -14.319 -4.421 503 3HZ LYS 70 3HZ LYS 70 -6.353 -13.951 -4.848 504 H GLN 71 H GLN 71 -2.367 -10.197 -5.186 505 HA GLN 71 HA GLN 71 -3.245 -9.282 -7.824 506 1HB GLN 71 2HB GLN 71 -0.786 -10.407 -6.726 507 2HB GLN 71 1HB GLN 71 -1.262 -11.172 -8.235 508 1HG GLN 71 2HG GLN 71 -1.545 -8.346 -8.494 509 2HG GLN 71 1HG GLN 71 0.059 -8.717 -7.863 510 1HE2 GLN 71 1HE2 GLN 71 0.945 -7.974 -9.835 511 2HE2 GLN 71 2HE2 GLN 71 0.919 -8.964 -11.251 512 H ARG 72 H ARG 72 -5.099 -10.822 -6.353 513 HA ARG 72 HA ARG 72 -6.508 -12.597 -6.576 514 1HB ARG 72 2HB ARG 72 -5.280 -13.041 -9.293 515 2HB ARG 72 1HB ARG 72 -6.917 -13.413 -8.770 516 1HG ARG 72 2HG ARG 72 -5.962 -10.585 -8.766 517 2HG ARG 72 1HG ARG 72 -6.475 -11.348 -10.272 518 1HD ARG 72 2HD ARG 72 -8.418 -10.336 -9.485 519 2HD ARG 72 1HD ARG 72 -8.589 -12.013 -8.971 520 HE ARG 72 HE ARG 72 -7.432 -10.848 -6.831 521 1HH1 ARG 72 1HH1 ARG 72 -10.238 -10.033 -8.741 522 2HH1 ARG 72 2HH1 ARG 72 -11.072 -9.283 -7.422 523 1HH2 ARG 72 1HH2 ARG 72 -8.529 -9.864 -5.096 524 2HH2 ARG 72 2HH2 ARG 72 -10.102 -9.186 -5.352 525 HA PRO 73 HA PRO 73 -4.645 -16.405 -5.408 526 1HB PRO 73 2HB PRO 73 -6.191 -17.817 -7.526 527 2HB PRO 73 1HB PRO 73 -6.107 -18.137 -5.789 528 1HG PRO 73 2HG PRO 73 -8.252 -16.973 -6.850 529 2HG PRO 73 1HG PRO 73 -7.622 -16.456 -5.273 530 1HD PRO 73 2HD PRO 73 -7.372 -15.137 -7.942 531 2HD PRO 73 1HD PRO 73 -7.587 -14.408 -6.338 532 H GLY 74 H GLY 74 -2.596 -16.871 -5.878 533 1HA GLY 74 2HA GLY 74 -1.913 -17.462 -8.694 534 2HA GLY 74 1HA GLY 74 -0.846 -16.541 -7.638 535 1H TYR 181 1HT TYR 181 -3.089 -16.449 23.484 536 2H TYR 181 2HT TYR 181 -2.673 -17.235 24.952 537 3H TYR 181 3HT TYR 181 -4.243 -17.430 24.286 538 HA TYR 181 HA TYR 181 -1.685 -18.507 23.360 539 1HB TYR 181 2HB TYR 181 -3.002 -19.786 24.986 540 2HB TYR 181 1HB TYR 181 -4.414 -19.683 23.939 541 HD1 TYR 181 1HD TYR 181 -4.692 -21.174 22.101 542 HD2 TYR 181 2HD TYR 181 -1.043 -21.150 24.289 543 HE1 TYR 181 1HE TYR 181 -4.015 -23.256 20.981 544 HE2 TYR 181 2HE TYR 181 -0.356 -23.231 23.175 545 HH TYR 181 HH TYR 181 -2.025 -24.507 20.464 546 H ARG 182 H ARG 182 -4.834 -17.372 22.361 547 HA ARG 182 HA ARG 182 -4.997 -18.591 19.846 548 1HB ARG 182 2HB ARG 182 -6.022 -15.817 20.418 549 2HB ARG 182 1HB ARG 182 -6.696 -17.027 19.335 550 1HG ARG 182 2HG ARG 182 -6.980 -18.405 21.541 551 2HG ARG 182 1HG ARG 182 -6.889 -16.813 22.297 552 1HD ARG 182 2HD ARG 182 -9.173 -17.146 21.942 553 2HD ARG 182 1HD ARG 182 -8.675 -16.115 20.601 554 HE ARG 182 HE ARG 182 -9.283 -17.782 19.176 555 1HH1 ARG 182 1HH1 ARG 182 -8.725 -19.188 22.322 556 2HH1 ARG 182 2HH1 ARG 182 -9.250 -20.768 21.847 557 1HH2 ARG 182 1HH2 ARG 182 -9.971 -19.860 18.549 558 2HH2 ARG 182 2HH2 ARG 182 -9.955 -21.151 19.704 559 H GLY 183 H GLY 183 -4.168 -15.168 20.426 560 1HA GLY 183 2HA GLY 183 -2.777 -13.739 19.295 561 2HA GLY 183 1HA GLY 183 -1.763 -15.145 19.017 562 H TRP 184 H TRP 184 -1.925 -13.112 17.179 563 HA TRP 184 HA TRP 184 -2.324 -12.616 15.004 564 1HB TRP 184 2HB TRP 184 -2.047 -14.400 13.448 565 2HB TRP 184 1HB TRP 184 -1.056 -14.783 14.849 566 HD1 TRP 184 HD TRP 184 -4.608 -15.689 13.546 567 HE1 TRP 184 1HE TRP 184 -5.055 -18.153 14.140 568 HE3 TRP 184 3HE TRP 184 -0.284 -16.714 16.075 569 HZ2 TRP 184 2HZ TRP 184 -3.749 -20.253 15.500 570 HZ3 TRP 184 3HZ TRP 184 0.039 -18.974 16.990 571 HH2 TRP 184 HH TRP 184 -1.658 -20.706 16.709 572 H LYS 185 H LYS 185 -3.828 -12.942 13.088 573 HA LYS 185 HA LYS 185 -6.334 -14.065 13.180 574 1HB LYS 185 2HB LYS 185 -7.721 -11.991 13.731 575 2HB LYS 185 1HB LYS 185 -6.996 -12.845 15.086 576 1HG LYS 185 2HG LYS 185 -5.060 -11.029 14.507 577 2HG LYS 185 1HG LYS 185 -6.522 -10.132 14.091 578 1HD LYS 185 2HD LYS 185 -5.983 -11.509 16.723 579 2HD LYS 185 1HD LYS 185 -5.881 -9.772 16.428 580 1HE LYS 185 2HE LYS 185 -8.181 -9.551 16.183 581 2HE LYS 185 1HE LYS 185 -8.407 -11.265 15.834 582 1HZ LYS 185 1HZ LYS 185 -7.515 -11.509 18.263 583 2HZ LYS 185 2HZ LYS 185 -9.145 -11.160 17.976 584 3HZ LYS 185 3HZ LYS 185 -8.081 -9.922 18.420 585 H HIS 186 H HIS 186 -4.606 -11.089 12.399 586 HA HIS 186 HA HIS 186 -5.665 -11.270 9.658 587 1HB HIS 186 2HB HIS 186 -5.387 -8.690 9.676 588 2HB HIS 186 1HB HIS 186 -6.807 -9.390 10.453 589 HD1 HIS 186 1HD HIS 186 -3.306 -8.947 11.872 590 HD2 HIS 186 2HD HIS 186 -7.221 -7.736 12.564 591 HE1 HIS 186 1HE HIS 186 -3.236 -7.642 14.020 592 HE2 HIS 186 2HE HIS 186 -5.602 -6.850 14.376 593 H TRP 187 H TRP 187 -3.779 -12.373 9.033 594 HA TRP 187 HA TRP 187 -1.163 -11.708 9.571 595 1HB TRP 187 2HB TRP 187 -2.556 -13.320 7.602 596 2HB TRP 187 1HB TRP 187 -1.112 -12.581 6.919 597 HD1 TRP 187 HD TRP 187 1.254 -13.177 8.179 598 HE1 TRP 187 1HE TRP 187 1.957 -15.307 9.441 599 HE3 TRP 187 3HE TRP 187 -3.374 -15.176 9.043 600 HZ2 TRP 187 2HZ TRP 187 0.715 -17.538 10.644 601 HZ3 TRP 187 3HZ TRP 187 -3.527 -17.311 10.256 602 HH2 TRP 187 HH TRP 187 -1.523 -18.466 11.039 603 H VAL 188 H VAL 188 -2.251 -11.113 6.247 604 HA VAL 188 HA VAL 188 -0.680 -8.663 6.244 605 HB VAL 188 HB VAL 188 -0.160 -10.173 4.475 606 1HG1 VAL 188 1HG1 VAL 188 -2.389 -10.384 2.843 607 2HG1 VAL 188 2HG1 VAL 188 -3.026 -10.617 4.470 608 3HG1 VAL 188 3HG1 VAL 188 -1.723 -11.646 3.878 609 1HG2 VAL 188 1HG2 VAL 188 -0.617 -8.815 2.507 610 2HG2 VAL 188 2HG2 VAL 188 -0.198 -7.805 3.890 611 3HG2 VAL 188 3HG2 VAL 188 -1.880 -7.954 3.386 612 H TYR 189 H TYR 189 -1.503 -6.661 5.723 613 HA TYR 189 HA TYR 189 -4.418 -6.410 5.802 614 1HB TYR 189 2HB TYR 189 -3.805 -4.001 6.411 615 2HB TYR 189 1HB TYR 189 -3.484 -5.254 7.609 616 HD1 TYR 189 1HD TYR 189 -1.999 -2.822 5.323 617 HD2 TYR 189 2HD TYR 189 -1.197 -5.921 8.125 618 HE1 TYR 189 1HE TYR 189 0.347 -2.097 5.446 619 HE2 TYR 189 2HE TYR 189 1.151 -5.203 8.255 620 HH TYR 189 HH TYR 189 2.436 -3.026 7.845 621 H TYR 190 H TYR 190 -5.152 -6.361 3.738 622 HA TYR 190 HA TYR 190 -3.725 -4.752 1.750 623 1HB TYR 190 2HB TYR 190 -5.609 -5.751 0.235 624 2HB TYR 190 1HB TYR 190 -4.269 -6.774 0.747 625 HD1 TYR 190 1HD TYR 190 -4.946 -8.927 1.177 626 HD2 TYR 190 2HD TYR 190 -7.514 -5.725 2.294 627 HE1 TYR 190 1HE TYR 190 -6.536 -10.543 2.126 628 HE2 TYR 190 2HE TYR 190 -9.112 -7.334 3.248 629 HH TYR 190 HH TYR 190 -9.225 -10.436 2.568 630 H THR 191 H THR 191 -4.997 -3.315 0.327 631 HA THR 191 HA THR 191 -6.691 -1.619 1.928 632 HB THR 191 HB THR 191 -5.859 -1.366 -0.968 633 HG1 THR 191 1HG THR 191 -4.828 -0.145 1.373 634 1HG2 THR 191 1HG2 THR 191 -6.308 1.084 -0.522 635 2HG2 THR 191 2HG2 THR 191 -7.239 0.549 0.878 636 3HG2 THR 191 3HG2 THR 191 -7.715 0.043 -0.743 637 H CYS 192 H CYS 192 -7.315 -4.354 0.212 638 HA CYS 192 HA CYS 192 -9.842 -3.531 -0.943 639 1HB CYS 192 2HB CYS 192 -9.012 -5.164 -2.315 640 2HB CYS 192 1HB CYS 192 -8.184 -5.995 -1.012 641 H CYS 193 H CYS 193 -11.664 -4.930 -0.596 642 HA CYS 193 HA CYS 193 -13.401 -5.419 0.840 643 1HB CYS 193 2HB CYS 193 -12.222 -7.483 2.269 644 2HB CYS 193 1HB CYS 193 -12.925 -7.608 0.661 645 HA PRO 194 HA PRO 194 -11.773 -3.648 4.848 646 1HB PRO 194 2HB PRO 194 -11.489 -1.001 4.346 647 2HB PRO 194 1HB PRO 194 -10.217 -2.177 4.009 648 1HG PRO 194 2HG PRO 194 -11.819 -0.646 2.132 649 2HG PRO 194 1HG PRO 194 -10.406 -1.660 1.815 650 1HD PRO 194 2HD PRO 194 -13.270 -2.302 1.560 651 2HD PRO 194 1HD PRO 194 -11.868 -3.096 0.823 652 H ASP 195 H ASP 195 -13.502 -1.067 3.108 653 HA ASP 195 HA ASP 195 -15.257 -0.574 5.275 654 1HB ASP 195 2HB ASP 195 -14.982 0.467 2.487 655 2HB ASP 195 1HB ASP 195 -16.457 0.820 3.390 656 H THR 196 H THR 196 -16.522 -1.039 1.993 657 HA THR 196 HA THR 196 -18.025 -3.405 2.728 658 HB THR 196 HB THR 196 -19.339 -1.689 3.864 659 HG1 THR 196 1HG THR 196 -21.101 -2.618 3.216 660 1HG2 THR 196 1HG2 THR 196 -19.787 0.317 3.056 661 2HG2 THR 196 2HG2 THR 196 -20.473 -0.371 1.584 662 3HG2 THR 196 3HG2 THR 196 -18.741 -0.054 1.687 663 HA PRO 197 HA PRO 197 -17.558 -2.596 -1.888 664 1HB PRO 197 2HB PRO 197 -15.507 -4.653 -1.949 665 2HB PRO 197 1HB PRO 197 -15.389 -2.975 -2.484 666 1HG PRO 197 2HG PRO 197 -14.046 -3.957 -0.323 667 2HG PRO 197 1HG PRO 197 -14.537 -2.262 -0.485 668 1HD PRO 197 2HD PRO 197 -15.827 -4.466 1.080 669 2HD PRO 197 1HD PRO 197 -15.571 -2.764 1.522 670 H TYR 198 H TYR 198 -18.678 -4.461 0.320 671 HA TYR 198 HA TYR 198 -18.982 -7.035 -0.847 672 1HB TYR 198 2HB TYR 198 -18.859 -6.713 1.562 673 2HB TYR 198 1HB TYR 198 -20.241 -5.619 1.519 674 HD1 TYR 198 1HD TYR 198 -19.456 -9.111 0.385 675 HD2 TYR 198 2HD TYR 198 -22.225 -6.495 2.279 676 HE1 TYR 198 1HE TYR 198 -20.971 -11.008 0.779 677 HE2 TYR 198 2HE TYR 198 -23.747 -8.384 2.678 678 HH TYR 198 HH TYR 198 -23.718 -10.772 2.833 Start of MODEL 3 1 1H ILE 1 1HT ILE 1 -4.746 16.522 -9.230 2 2H ILE 1 2HT ILE 1 -5.475 14.970 -9.166 3 3H ILE 1 3HT ILE 1 -4.238 15.292 -10.311 4 HA ILE 1 HA ILE 1 -3.166 14.120 -8.713 5 HB ILE 1 HB ILE 1 -2.812 16.970 -7.786 6 1HG1 ILE 1 2HG1 ILE 1 -2.744 16.813 -10.259 7 2HG1 ILE 1 1HG1 ILE 1 -1.182 17.243 -9.569 8 1HG2 ILE 1 1HG2 ILE 1 -0.890 14.648 -7.885 9 2HG2 ILE 1 2HG2 ILE 1 -1.679 15.274 -6.437 10 3HG2 ILE 1 3HG2 ILE 1 -0.524 16.276 -7.315 11 1HD1 ILE 1 1HD1 ILE 1 -0.363 15.018 -9.899 12 2HD1 ILE 1 2HD1 ILE 1 -1.049 15.605 -11.413 13 3HD1 ILE 1 3HD1 ILE 1 -1.955 14.464 -10.420 14 H VAL 2 H VAL 2 -4.609 12.951 -7.415 15 HA VAL 2 HA VAL 2 -4.734 13.876 -4.683 16 HB VAL 2 HB VAL 2 -6.866 14.643 -6.061 17 1HG1 VAL 2 1HG1 VAL 2 -7.199 12.081 -6.593 18 2HG1 VAL 2 2HG1 VAL 2 -8.575 13.151 -6.323 19 3HG1 VAL 2 3HG1 VAL 2 -8.006 12.099 -5.025 20 1HG2 VAL 2 1HG2 VAL 2 -7.744 15.140 -4.050 21 2HG2 VAL 2 2HG2 VAL 2 -6.219 14.494 -3.444 22 3HG2 VAL 2 3HG2 VAL 2 -7.656 13.473 -3.480 23 H CYS 3 H CYS 3 -6.240 12.059 -3.457 24 HA CYS 3 HA CYS 3 -4.963 9.526 -4.201 25 1HB CYS 3 2HB CYS 3 -6.283 10.233 -1.581 26 2HB CYS 3 1HB CYS 3 -5.210 8.873 -1.911 27 H HIS 4 H HIS 4 -6.403 7.667 -3.025 28 HA HIS 4 HA HIS 4 -9.196 7.954 -3.827 29 1HB HIS 4 2HB HIS 4 -8.609 6.893 -5.746 30 2HB HIS 4 1HB HIS 4 -7.189 6.143 -5.025 31 HD1 HIS 4 1HD HIS 4 -10.823 5.606 -5.641 32 HD2 HIS 4 2HD HIS 4 -7.635 3.612 -3.873 33 HE1 HIS 4 1HE HIS 4 -11.625 3.249 -5.276 34 HE2 HIS 4 2HE HIS 4 -9.650 2.041 -4.284 35 H THR 5 H THR 5 -9.930 7.848 -1.847 36 HA THR 5 HA THR 5 -10.159 7.171 0.371 37 HB THR 5 HB THR 5 -10.915 4.550 -0.851 38 HG1 THR 5 1HG THR 5 -11.972 7.076 -1.468 39 1HG2 THR 5 1HG2 THR 5 -12.856 4.752 0.554 40 2HG2 THR 5 2HG2 THR 5 -12.361 6.369 1.055 41 3HG2 THR 5 3HG2 THR 5 -11.395 4.969 1.517 42 H THR 6 H THR 6 -7.417 6.775 -0.326 43 HA THR 6 HA THR 6 -5.544 5.619 0.269 44 HB THR 6 HB THR 6 -7.230 4.776 2.630 45 HG1 THR 6 1HG THR 6 -6.460 6.732 3.558 46 1HG2 THR 6 1HG2 THR 6 -4.552 4.254 2.048 47 2HG2 THR 6 2HG2 THR 6 -5.381 4.050 3.592 48 3HG2 THR 6 3HG2 THR 6 -4.541 5.559 3.234 49 H ALA 7 H ALA 7 -7.706 4.121 -1.258 50 HA ALA 7 HA ALA 7 -8.229 1.998 -1.927 51 1HB ALA 7 1HB ALA 7 -6.431 0.942 -2.834 52 2HB ALA 7 2HB ALA 7 -5.449 1.120 -1.380 53 3HB ALA 7 3HB ALA 7 -5.677 2.493 -2.464 54 H THR 8 H THR 8 -8.558 2.485 0.945 55 HA THR 8 HA THR 8 -8.227 -0.280 1.906 56 HB THR 8 HB THR 8 -8.234 2.226 3.597 57 HG1 THR 8 1HG THR 8 -6.134 0.635 2.596 58 1HG2 THR 8 1HG2 THR 8 -8.756 -0.358 4.389 59 2HG2 THR 8 2HG2 THR 8 -8.227 0.971 5.421 60 3HG2 THR 8 3HG2 THR 8 -7.042 -0.145 4.743 61 H SER 9 H SER 9 -10.052 2.582 2.986 62 HA SER 9 HA SER 9 -12.336 0.982 3.650 63 1HB SER 9 2HB SER 9 -12.858 3.845 3.491 64 2HB SER 9 1HB SER 9 -12.925 2.769 4.886 65 HG SER 9 HG SER 9 -10.741 4.230 3.874 66 HA PRO 10 HA PRO 10 -14.947 1.036 0.113 67 1HB PRO 10 2HB PRO 10 -17.036 2.739 0.953 68 2HB PRO 10 1HB PRO 10 -16.980 0.983 1.106 69 1HG PRO 10 2HG PRO 10 -16.349 3.083 3.115 70 2HG PRO 10 1HG PRO 10 -17.056 1.474 3.351 71 1HD PRO 10 2HD PRO 10 -14.512 1.982 4.003 72 2HD PRO 10 1HD PRO 10 -14.985 0.422 3.296 73 H ILE 11 H ILE 11 -15.709 4.278 1.337 74 HA ILE 11 HA ILE 11 -14.148 5.527 -0.767 75 HB ILE 11 HB ILE 11 -16.333 6.967 -1.231 76 1HG1 ILE 11 2HG1 ILE 11 -17.528 5.234 0.381 77 2HG1 ILE 11 1HG1 ILE 11 -18.359 5.900 -1.020 78 1HG2 ILE 11 1HG2 ILE 11 -16.711 5.548 -3.241 79 2HG2 ILE 11 2HG2 ILE 11 -15.604 4.362 -2.549 80 3HG2 ILE 11 3HG2 ILE 11 -15.023 5.975 -2.960 81 1HD1 ILE 11 1HD1 ILE 11 -16.852 3.398 -1.450 82 2HD1 ILE 11 2HD1 ILE 11 -18.409 3.917 -2.095 83 3HD1 ILE 11 3HD1 ILE 11 -18.300 3.296 -0.448 84 H SER 12 H SER 12 -13.680 7.686 -0.384 85 HA SER 12 HA SER 12 -14.937 9.235 1.634 86 1HB SER 12 2HB SER 12 -13.357 7.381 2.784 87 2HB SER 12 1HB SER 12 -12.160 8.644 2.498 88 HG SER 12 HG SER 12 -14.288 8.583 4.253 89 H ALA 13 H ALA 13 -14.026 11.345 1.840 90 HA ALA 13 HA ALA 13 -12.738 12.229 -0.570 91 1HB ALA 13 1HB ALA 13 -14.527 13.401 1.018 92 2HB ALA 13 2HB ALA 13 -13.416 14.320 0.003 93 3HB ALA 13 3HB ALA 13 -13.060 14.088 1.715 94 H VAL 14 H VAL 14 -10.866 10.676 0.158 95 HA VAL 14 HA VAL 14 -9.049 11.101 2.111 96 HB VAL 14 HB VAL 14 -7.286 10.746 0.086 97 1HG1 VAL 14 1HG1 VAL 14 -8.469 8.223 0.456 98 2HG1 VAL 14 2HG1 VAL 14 -8.705 9.114 1.958 99 3HG1 VAL 14 3HG1 VAL 14 -7.081 8.907 1.301 100 1HG2 VAL 14 1HG2 VAL 14 -9.203 11.009 -1.554 101 2HG2 VAL 14 2HG2 VAL 14 -9.798 9.463 -0.956 102 3HG2 VAL 14 3HG2 VAL 14 -8.218 9.558 -1.731 103 H THR 15 H THR 15 -8.079 12.436 -1.024 104 HA THR 15 HA THR 15 -6.837 14.284 -1.523 105 HB THR 15 HB THR 15 -7.832 16.428 -0.623 106 HG1 THR 15 1HG THR 15 -9.809 14.741 0.485 107 1HG2 THR 15 1HG2 THR 15 -9.230 14.421 -2.225 108 2HG2 THR 15 2HG2 THR 15 -8.922 16.126 -2.548 109 3HG2 THR 15 3HG2 THR 15 -10.268 15.654 -1.511 110 H CYS 16 H CYS 16 -4.868 13.712 -0.595 111 HA CYS 16 HA CYS 16 -4.186 13.968 2.103 112 1HB CYS 16 2HB CYS 16 -2.890 12.784 0.254 113 2HB CYS 16 1HB CYS 16 -2.249 14.371 -0.173 114 HA PRO 17 HA PRO 17 -4.119 18.337 2.857 115 1HB PRO 17 2HB PRO 17 -1.764 17.665 4.555 116 2HB PRO 17 1HB PRO 17 -3.225 18.570 4.965 117 1HG PRO 17 2HG PRO 17 -2.896 16.071 5.816 118 2HG PRO 17 1HG PRO 17 -4.486 16.651 5.284 119 1HD PRO 17 2HD PRO 17 -2.544 14.878 3.873 120 2HD PRO 17 1HD PRO 17 -4.320 14.835 3.876 121 HA PRO 18 HA PRO 18 -0.977 20.195 0.383 122 1HB PRO 18 2HB PRO 18 -0.205 22.367 1.863 123 2HB PRO 18 1HB PRO 18 -1.698 22.295 0.922 124 1HG PRO 18 2HG PRO 18 -1.282 21.851 3.852 125 2HG PRO 18 1HG PRO 18 -2.580 22.736 3.028 126 1HD PRO 18 2HD PRO 18 -2.942 20.245 3.970 127 2HD PRO 18 1HD PRO 18 -3.715 20.796 2.469 128 H GLY 19 H GLY 19 1.299 20.663 0.208 129 1HA GLY 19 2HA GLY 19 3.483 19.988 0.516 130 2HA GLY 19 1HA GLY 19 3.232 20.605 2.145 131 H GLU 20 H GLU 20 2.642 17.706 0.161 132 HA GLU 20 HA GLU 20 3.678 16.050 2.306 133 1HB GLU 20 2HB GLU 20 0.914 16.438 2.071 134 2HB GLU 20 1HB GLU 20 1.217 14.857 1.363 135 1HG GLU 20 2HG GLU 20 0.863 14.306 3.553 136 2HG GLU 20 1HG GLU 20 2.619 14.471 3.525 137 H ASN 21 H ASN 21 3.254 13.589 1.501 138 HA ASN 21 HA ASN 21 4.339 13.534 -1.232 139 1HB ASN 21 2HB ASN 21 5.572 12.583 0.909 140 2HB ASN 21 1HB ASN 21 4.546 11.182 0.591 141 1HD2 ASN 21 1HD2 ASN 21 4.644 10.285 -1.603 142 2HD2 ASN 21 2HD2 ASN 21 6.158 10.309 -2.434 143 H LEU 22 H LEU 22 1.998 13.752 -1.823 144 HA LEU 22 HA LEU 22 0.032 12.926 -2.577 145 1HB LEU 22 2HB LEU 22 1.967 11.720 -3.858 146 2HB LEU 22 1HB LEU 22 1.348 10.296 -3.051 147 HG LEU 22 HG LEU 22 0.353 10.407 -5.219 148 1HD1 LEU 22 1HD1 LEU 22 -2.033 10.566 -4.672 149 2HD1 LEU 22 2HD1 LEU 22 -1.619 11.315 -3.131 150 3HD1 LEU 22 3HD1 LEU 22 -1.131 9.654 -3.464 151 1HD2 LEU 22 1HD2 LEU 22 0.761 12.910 -5.422 152 2HD2 LEU 22 2HD2 LEU 22 -0.780 13.114 -4.587 153 3HD2 LEU 22 3HD2 LEU 22 -0.720 12.278 -6.139 154 H CYS 23 H CYS 23 0.809 9.602 -1.701 155 HA CYS 23 HA CYS 23 -0.685 9.740 0.750 156 1HB CYS 23 2HB CYS 23 -1.928 9.049 -1.790 157 2HB CYS 23 1HB CYS 23 -2.180 7.834 -0.538 158 H TYR 24 H TYR 24 1.985 8.677 -0.091 159 HA TYR 24 HA TYR 24 3.307 6.829 0.304 160 1HB TYR 24 2HB TYR 24 1.306 7.005 2.351 161 2HB TYR 24 1HB TYR 24 1.585 5.309 2.007 162 HD1 TYR 24 1HD TYR 24 2.396 7.722 4.207 163 HD2 TYR 24 2HD TYR 24 4.342 4.944 1.651 164 HE1 TYR 24 1HE TYR 24 4.357 7.747 5.690 165 HE2 TYR 24 2HE TYR 24 6.306 4.950 3.131 166 HH TYR 24 HH TYR 24 6.816 7.266 5.498 167 H ARG 25 H ARG 25 3.466 4.440 -0.016 168 HA ARG 25 HA ARG 25 1.178 3.164 -1.271 169 1HB ARG 25 2HB ARG 25 2.856 4.531 -2.913 170 2HB ARG 25 1HB ARG 25 3.610 2.946 -2.929 171 1HG ARG 25 2HG ARG 25 1.229 2.077 -3.433 172 2HG ARG 25 1HG ARG 25 0.896 3.751 -3.880 173 1HD ARG 25 2HD ARG 25 3.381 2.855 -5.033 174 2HD ARG 25 1HD ARG 25 2.065 1.765 -5.467 175 HE ARG 25 HE ARG 25 0.982 4.155 -5.982 176 1HH1 ARG 25 1HH1 ARG 25 4.085 2.806 -6.846 177 2HH1 ARG 25 2HH1 ARG 25 4.209 3.715 -8.314 178 1HH2 ARG 25 1HH2 ARG 25 1.144 5.345 -7.915 179 2HH2 ARG 25 2HH2 ARG 25 2.541 5.153 -8.922 180 H LYS 26 H LYS 26 1.857 2.099 0.940 181 HA LYS 26 HA LYS 26 4.084 0.493 1.232 182 1HB LYS 26 2HB LYS 26 1.354 0.508 2.342 183 2HB LYS 26 1HB LYS 26 2.183 -1.038 2.435 184 1HG LYS 26 2HG LYS 26 2.680 0.003 4.452 185 2HG LYS 26 1HG LYS 26 4.121 0.266 3.469 186 1HD LYS 26 2HD LYS 26 3.032 2.497 2.821 187 2HD LYS 26 1HD LYS 26 1.951 2.215 4.186 188 1HE LYS 26 2HE LYS 26 4.362 1.739 5.330 189 2HE LYS 26 1HE LYS 26 4.795 2.967 4.142 190 1HZ LYS 26 1HZ LYS 26 2.410 3.498 5.715 191 2HZ LYS 26 2HZ LYS 26 3.643 4.549 5.229 192 3HZ LYS 26 3HZ LYS 26 3.873 3.535 6.564 193 H MET 27 H MET 27 4.809 -1.369 0.453 194 HA MET 27 HA MET 27 3.033 -3.237 -0.874 195 1HB MET 27 2HB MET 27 4.566 -3.275 -2.916 196 2HB MET 27 1HB MET 27 3.450 -1.923 -2.786 197 1HG MET 27 2HG MET 27 5.120 -0.411 -2.335 198 2HG MET 27 1HG MET 27 6.217 -1.644 -1.719 199 1HE MET 27 1HE MET 27 4.112 -0.844 -4.787 200 2HE MET 27 2HE MET 27 4.469 -2.508 -5.252 201 3HE MET 27 3HE MET 27 5.165 -1.169 -6.164 202 H TRP 28 H TRP 28 3.588 -5.048 0.144 203 HA TRP 28 HA TRP 28 6.251 -5.461 1.145 204 1HB TRP 28 2HB TRP 28 4.335 -6.208 2.450 205 2HB TRP 28 1HB TRP 28 3.830 -7.272 1.144 206 HD1 TRP 28 HD TRP 28 7.339 -6.904 2.769 207 HE1 TRP 28 1HE TRP 28 8.083 -9.235 3.568 208 HE3 TRP 28 3HE TRP 28 3.139 -9.557 1.562 209 HZ2 TRP 28 2HZ TRP 28 7.030 -11.851 3.674 210 HZ3 TRP 28 3HZ TRP 28 3.086 -11.969 2.046 211 HH2 TRP 28 HH TRP 28 4.993 -13.091 3.080 212 H CYS 29 H CYS 29 4.316 -7.848 -0.636 213 HA CYS 29 HA CYS 29 4.909 -9.416 -2.165 214 1HB CYS 29 2HB CYS 29 5.082 -7.115 -3.421 215 2HB CYS 29 1HB CYS 29 6.805 -7.473 -3.440 216 H ASP 30 H ASP 30 8.068 -7.863 -2.469 217 HA ASP 30 HA ASP 30 10.164 -8.738 -2.259 218 1HB ASP 30 2HB ASP 30 8.970 -9.402 0.435 219 2HB ASP 30 1HB ASP 30 10.693 -9.442 0.075 220 H ALA 31 H ALA 31 11.393 -10.794 -1.200 221 HA ALA 31 HA ALA 31 11.975 -12.928 -1.829 222 1HB ALA 31 1HB ALA 31 9.258 -13.598 -0.730 223 2HB ALA 31 2HB ALA 31 10.595 -13.062 0.289 224 3HB ALA 31 3HB ALA 31 10.738 -14.552 -0.644 225 H PHE 32 H PHE 32 9.841 -15.024 -2.362 226 HA PHE 32 HA PHE 32 9.656 -14.519 -5.226 227 1HB PHE 32 2HB PHE 32 10.132 -16.812 -3.651 228 2HB PHE 32 1HB PHE 32 8.572 -17.068 -4.425 229 HD1 PHE 32 1HD PHE 32 11.926 -17.682 -4.760 230 HD2 PHE 32 2HD PHE 32 8.624 -16.232 -7.018 231 HE1 PHE 32 1HE PHE 32 13.070 -18.328 -6.839 232 HE2 PHE 32 2HE PHE 32 9.760 -16.875 -9.103 233 HZ PHE 32 HZ PHE 32 11.987 -17.926 -9.016 234 H CYS 33 H CYS 33 7.963 -12.879 -3.805 235 HA CYS 33 HA CYS 33 5.397 -13.819 -3.296 236 1HB CYS 33 2HB CYS 33 4.675 -11.439 -3.829 237 2HB CYS 33 1HB CYS 33 5.908 -11.618 -2.587 238 H SER 34 H SER 34 3.836 -14.600 -4.535 239 HA SER 34 HA SER 34 4.073 -15.266 -7.179 240 1HB SER 34 2HB SER 34 1.737 -14.895 -5.360 241 2HB SER 34 1HB SER 34 1.422 -15.116 -7.081 242 HG SER 34 HG SER 34 1.670 -17.035 -5.523 243 H SER 35 H SER 35 2.323 -12.423 -5.918 244 HA SER 35 HA SER 35 2.874 -11.067 -8.459 245 1HB SER 35 2HB SER 35 0.210 -11.696 -7.308 246 2HB SER 35 1HB SER 35 0.416 -10.080 -7.982 247 HG SER 35 HG SER 35 0.362 -10.917 -9.901 248 H ARG 36 H ARG 36 2.388 -8.686 -8.302 249 HA ARG 36 HA ARG 36 3.503 -7.691 -5.814 250 1HB ARG 36 2HB ARG 36 2.824 -6.131 -8.302 251 2HB ARG 36 1HB ARG 36 3.899 -5.645 -6.999 252 1HG ARG 36 2HG ARG 36 5.636 -6.690 -7.910 253 2HG ARG 36 1HG ARG 36 4.702 -8.159 -8.200 254 1HD ARG 36 2HD ARG 36 4.682 -5.685 -9.928 255 2HD ARG 36 1HD ARG 36 5.541 -7.182 -10.287 256 HE ARG 36 HE ARG 36 2.726 -6.674 -10.602 257 1HH1 ARG 36 1HH1 ARG 36 5.172 -9.131 -10.200 258 2HH1 ARG 36 2HH1 ARG 36 4.212 -10.381 -10.916 259 1HH2 ARG 36 1HH2 ARG 36 1.461 -8.319 -11.545 260 2HH2 ARG 36 2HH2 ARG 36 2.107 -9.921 -11.682 261 H GLY 37 H GLY 37 2.097 -7.317 -4.217 262 1HA GLY 37 2HA GLY 37 0.298 -5.267 -4.151 263 2HA GLY 37 1HA GLY 37 -0.647 -6.623 -4.747 264 H LYS 38 H LYS 38 -1.890 -6.223 -2.762 265 HA LYS 38 HA LYS 38 -2.525 -6.736 -0.647 266 1HB LYS 38 2HB LYS 38 -1.050 -8.993 -1.667 267 2HB LYS 38 1HB LYS 38 -0.831 -8.867 0.073 268 1HG LYS 38 2HG LYS 38 -2.723 -10.304 -0.559 269 2HG LYS 38 1HG LYS 38 -3.211 -8.923 0.425 270 1HD LYS 38 2HD LYS 38 -3.618 -7.792 -1.904 271 2HD LYS 38 1HD LYS 38 -3.697 -9.459 -2.473 272 1HE LYS 38 2HE LYS 38 -5.253 -8.888 -0.044 273 2HE LYS 38 1HE LYS 38 -5.810 -8.063 -1.499 274 1HZ LYS 38 1HZ LYS 38 -5.283 -10.975 -1.437 275 2HZ LYS 38 2HZ LYS 38 -6.155 -10.096 -2.589 276 3HZ LYS 38 3HZ LYS 38 -6.792 -10.322 -1.038 277 H VAL 39 H VAL 39 -1.709 -7.011 1.675 278 HA VAL 39 HA VAL 39 -0.501 -6.176 3.425 279 HB VAL 39 HB VAL 39 1.858 -6.057 1.545 280 1HG1 VAL 39 1HG1 VAL 39 2.843 -6.774 3.946 281 2HG1 VAL 39 2HG1 VAL 39 1.466 -5.796 4.453 282 3HG1 VAL 39 3HG1 VAL 39 2.701 -5.101 3.406 283 1HG2 VAL 39 1HG2 VAL 39 2.209 -8.375 2.882 284 2HG2 VAL 39 2HG2 VAL 39 1.482 -8.264 1.279 285 3HG2 VAL 39 3HG2 VAL 39 0.454 -8.370 2.708 286 H VAL 40 H VAL 40 -1.844 -4.457 1.443 287 HA VAL 40 HA VAL 40 -0.341 -2.111 0.979 288 HB VAL 40 HB VAL 40 -2.490 -1.055 0.454 289 1HG1 VAL 40 1HG1 VAL 40 -1.450 -2.410 -1.255 290 2HG1 VAL 40 2HG1 VAL 40 -3.200 -2.616 -1.326 291 3HG1 VAL 40 3HG1 VAL 40 -2.195 -3.867 -0.597 292 1HG2 VAL 40 1HG2 VAL 40 -3.904 -1.932 2.172 293 2HG2 VAL 40 2HG2 VAL 40 -3.650 -3.586 1.613 294 3HG2 VAL 40 3HG2 VAL 40 -4.563 -2.449 0.620 295 H GLU 41 H GLU 41 -1.548 0.049 1.796 296 HA GLU 41 HA GLU 41 -2.550 0.241 4.377 297 1HB GLU 41 2HB GLU 41 0.353 -0.127 4.252 298 2HB GLU 41 1HB GLU 41 -0.123 1.317 5.133 299 1HG GLU 41 2HG GLU 41 -1.750 -0.921 5.910 300 2HG GLU 41 1HG GLU 41 -0.038 -1.303 6.080 301 H LEU 42 H LEU 42 0.072 1.926 2.633 302 HA LEU 42 HA LEU 42 0.288 4.068 1.913 303 1HB LEU 42 2HB LEU 42 -2.641 4.446 1.668 304 2HB LEU 42 1HB LEU 42 -1.363 4.827 0.532 305 HG LEU 42 HG LEU 42 -2.614 2.130 1.032 306 1HD1 LEU 42 1HD1 LEU 42 -2.390 3.271 -1.669 307 2HD1 LEU 42 2HD1 LEU 42 -3.479 4.119 -0.572 308 3HD1 LEU 42 3HD1 LEU 42 -3.722 2.403 -0.905 309 1HD2 LEU 42 1HD2 LEU 42 -0.787 2.151 -1.172 310 2HD2 LEU 42 2HD2 LEU 42 -0.802 1.113 0.253 311 3HD2 LEU 42 3HD2 LEU 42 0.054 2.653 0.296 312 H GLY 43 H GLY 43 -0.451 6.413 2.318 313 1HA GLY 43 2HA GLY 43 -2.034 7.402 4.235 314 2HA GLY 43 1HA GLY 43 -0.766 6.678 5.212 315 H CYS 44 H CYS 44 -0.302 8.346 2.121 316 HA CYS 44 HA CYS 44 0.911 10.192 1.561 317 1HB CYS 44 2HB CYS 44 -0.065 11.092 4.276 318 2HB CYS 44 1HB CYS 44 0.735 12.145 3.109 319 H ALA 45 H ALA 45 3.039 10.045 1.370 320 HA ALA 45 HA ALA 45 4.661 9.287 3.659 321 1HB ALA 45 1HB ALA 45 6.045 9.995 1.171 322 2HB ALA 45 2HB ALA 45 4.856 8.701 1.016 323 3HB ALA 45 3HB ALA 45 6.176 8.552 2.175 324 H ALA 46 H ALA 46 6.809 10.477 3.925 325 HA ALA 46 HA ALA 46 6.263 13.372 3.950 326 1HB ALA 46 1HB ALA 46 6.490 12.837 6.174 327 2HB ALA 46 2HB ALA 46 8.152 13.258 5.762 328 3HB ALA 46 3HB ALA 46 7.671 11.565 5.860 329 H THR 47 H THR 47 8.703 10.916 3.323 330 HA THR 47 HA THR 47 10.102 12.814 1.591 331 HB THR 47 HB THR 47 11.239 12.716 3.822 332 HG1 THR 47 1HG THR 47 13.030 13.023 2.791 333 1HG2 THR 47 1HG2 THR 47 11.115 10.591 4.671 334 2HG2 THR 47 2HG2 THR 47 12.758 10.627 4.032 335 3HG2 THR 47 3HG2 THR 47 11.476 9.831 3.121 336 H CYS 48 H CYS 48 11.642 11.651 0.083 337 HA CYS 48 HA CYS 48 10.757 8.883 -0.410 338 1HB CYS 48 2HB CYS 48 10.407 11.244 -2.113 339 2HB CYS 48 1HB CYS 48 11.151 9.887 -2.948 340 HA PRO 49 HA PRO 49 15.365 9.260 -1.139 341 1HB PRO 49 2HB PRO 49 16.497 9.058 1.251 342 2HB PRO 49 1HB PRO 49 15.827 10.609 0.726 343 1HG PRO 49 2HG PRO 49 14.714 8.615 2.644 344 2HG PRO 49 1HG PRO 49 14.627 10.385 2.686 345 1HD PRO 49 2HD PRO 49 12.635 8.622 1.737 346 2HD PRO 49 1HD PRO 49 12.682 10.380 1.531 347 H SER 50 H SER 50 13.139 7.164 -0.459 348 HA SER 50 HA SER 50 14.851 4.908 0.275 349 1HB SER 50 2HB SER 50 12.787 5.458 1.617 350 2HB SER 50 1HB SER 50 11.831 5.031 0.202 351 HG SER 50 HG SER 50 12.796 2.935 0.309 352 H LYS 51 H LYS 51 11.967 3.908 -1.159 353 HA LYS 51 HA LYS 51 11.517 2.697 -3.007 354 1HB LYS 51 2HB LYS 51 11.783 3.804 -5.089 355 2HB LYS 51 1HB LYS 51 11.508 5.052 -3.884 356 1HG LYS 51 2HG LYS 51 13.702 5.808 -3.984 357 2HG LYS 51 1HG LYS 51 14.289 4.309 -4.707 358 1HD LYS 51 2HD LYS 51 14.280 5.882 -6.458 359 2HD LYS 51 1HD LYS 51 12.842 4.892 -6.716 360 1HE LYS 51 2HE LYS 51 11.561 6.703 -6.634 361 2HE LYS 51 1HE LYS 51 12.148 7.065 -5.011 362 1HZ LYS 51 1HZ LYS 51 13.631 8.572 -5.781 363 2HZ LYS 51 2HZ LYS 51 12.498 8.707 -7.030 364 3HZ LYS 51 3HZ LYS 51 13.887 7.766 -7.248 365 H LYS 52 H LYS 52 14.048 2.100 -1.553 366 HA LYS 52 HA LYS 52 15.184 0.398 -3.625 367 1HB LYS 52 2HB LYS 52 16.861 2.233 -1.908 368 2HB LYS 52 1HB LYS 52 17.504 0.930 -2.894 369 1HG LYS 52 2HG LYS 52 17.594 2.287 -4.629 370 2HG LYS 52 1HG LYS 52 15.849 2.514 -4.549 371 1HD LYS 52 2HD LYS 52 16.223 4.646 -4.039 372 2HD LYS 52 1HD LYS 52 16.886 4.100 -2.498 373 1HE LYS 52 2HE LYS 52 18.639 4.066 -4.907 374 2HE LYS 52 1HE LYS 52 18.291 5.613 -4.137 375 1HZ LYS 52 1HZ LYS 52 19.004 4.458 -2.000 376 2HZ LYS 52 2HZ LYS 52 20.220 4.861 -3.105 377 3HZ LYS 52 3HZ LYS 52 19.674 3.264 -2.996 378 HA PRO 53 HA PRO 53 16.444 -1.388 0.682 379 1HB PRO 53 2HB PRO 53 15.017 0.252 2.656 380 2HB PRO 53 1HB PRO 53 16.716 -0.225 2.614 381 1HG PRO 53 2HG PRO 53 15.942 2.310 2.158 382 2HG PRO 53 1HG PRO 53 17.332 1.588 1.327 383 1HD PRO 53 2HD PRO 53 14.535 2.003 0.330 384 2HD PRO 53 1HD PRO 53 16.077 2.279 -0.503 385 H TYR 54 H TYR 54 15.372 -2.996 1.854 386 HA TYR 54 HA TYR 54 12.654 -3.495 1.000 387 1HB TYR 54 2HB TYR 54 13.271 -5.399 2.936 388 2HB TYR 54 1HB TYR 54 13.519 -5.572 1.196 389 HD1 TYR 54 1HD TYR 54 15.133 -4.624 4.367 390 HD2 TYR 54 2HD TYR 54 15.690 -5.513 0.252 391 HE1 TYR 54 1HE TYR 54 17.555 -4.637 4.711 392 HE2 TYR 54 2HE TYR 54 18.115 -5.545 0.574 393 HH TYR 54 HH TYR 54 19.663 -6.028 2.899 394 H GLU 55 H GLU 55 11.771 -1.531 2.038 395 HA GLU 55 HA GLU 55 11.375 -1.833 4.935 396 1HB GLU 55 2HB GLU 55 10.465 0.625 3.534 397 2HB GLU 55 1HB GLU 55 11.190 0.441 5.124 398 1HG GLU 55 2HG GLU 55 13.261 -0.245 3.494 399 2HG GLU 55 1HG GLU 55 12.433 0.979 2.532 400 H GLU 56 H GLU 56 9.457 -0.491 2.252 401 HA GLU 56 HA GLU 56 7.367 -2.276 2.240 402 1HB GLU 56 2HB GLU 56 7.340 -0.834 4.650 403 2HB GLU 56 1HB GLU 56 6.097 -0.087 3.655 404 1HG GLU 56 2HG GLU 56 5.182 -2.396 3.263 405 2HG GLU 56 1HG GLU 56 6.298 -2.961 4.505 406 H VAL 57 H VAL 57 8.328 1.101 2.126 407 HA VAL 57 HA VAL 57 7.641 1.444 -0.547 408 HB VAL 57 HB VAL 57 5.360 1.291 0.007 409 1HG1 VAL 57 1HG1 VAL 57 4.532 3.168 1.727 410 2HG1 VAL 57 2HG1 VAL 57 6.116 2.796 2.407 411 3HG1 VAL 57 3HG1 VAL 57 4.929 1.519 2.197 412 1HG2 VAL 57 1HG2 VAL 57 5.057 4.101 -0.045 413 2HG2 VAL 57 2HG2 VAL 57 4.913 2.963 -1.380 414 3HG2 VAL 57 3HG2 VAL 57 6.470 3.682 -1.005 415 H THR 58 H THR 58 6.557 4.030 1.442 416 HA THR 58 HA THR 58 7.525 5.929 2.266 417 HB THR 58 HB THR 58 10.169 5.396 1.013 418 HG1 THR 58 1HG THR 58 8.969 3.815 2.976 419 1HG2 THR 58 1HG2 THR 58 9.147 6.719 3.469 420 2HG2 THR 58 2HG2 THR 58 10.280 7.311 2.255 421 3HG2 THR 58 3HG2 THR 58 10.799 6.104 3.433 422 H CYS 59 H CYS 59 6.247 5.507 -0.303 423 HA CYS 59 HA CYS 59 6.798 8.033 -1.442 424 1HB CYS 59 2HB CYS 59 7.869 5.590 -2.804 425 2HB CYS 59 1HB CYS 59 7.304 6.944 -3.776 426 H CYS 60 H CYS 60 5.497 8.600 -3.217 427 HA CYS 60 HA CYS 60 3.631 7.179 -4.581 428 1HB CYS 60 2HB CYS 60 2.807 7.050 -1.953 429 2HB CYS 60 1HB CYS 60 1.907 8.437 -2.554 430 H SER 61 H SER 61 2.940 8.516 -6.154 431 HA SER 61 HA SER 61 2.080 11.166 -5.776 432 1HB SER 61 2HB SER 61 3.896 12.493 -6.431 433 2HB SER 61 1HB SER 61 4.627 11.311 -5.340 434 HG SER 61 HG SER 61 5.236 10.114 -7.212 435 H THR 62 H THR 62 1.998 12.389 -7.917 436 HA THR 62 HA THR 62 1.045 12.454 -9.982 437 HB THR 62 HB THR 62 2.348 10.809 -11.614 438 HG1 THR 62 1HG THR 62 4.131 11.027 -9.428 439 1HG2 THR 62 1HG2 THR 62 3.632 13.179 -10.283 440 2HG2 THR 62 2HG2 THR 62 2.607 13.202 -11.719 441 3HG2 THR 62 3HG2 THR 62 4.187 12.420 -11.775 442 H ASP 63 H ASP 63 -0.325 10.751 -8.197 443 HA ASP 63 HA ASP 63 -2.064 9.426 -9.918 444 1HB ASP 63 2HB ASP 63 0.271 7.917 -9.487 445 2HB ASP 63 1HB ASP 63 -0.969 7.163 -8.489 446 H LYS 64 H LYS 64 -3.254 7.538 -8.470 447 HA LYS 64 HA LYS 64 -3.982 8.963 -6.015 448 1HB LYS 64 2HB LYS 64 -5.585 6.704 -7.149 449 2HB LYS 64 1HB LYS 64 -6.128 8.077 -6.188 450 1HG LYS 64 2HG LYS 64 -5.093 8.392 -8.989 451 2HG LYS 64 1HG LYS 64 -6.785 8.041 -8.638 452 1HD LYS 64 2HD LYS 64 -6.358 10.109 -6.957 453 2HD LYS 64 1HD LYS 64 -5.241 10.524 -8.258 454 1HE LYS 64 2HE LYS 64 -8.073 9.735 -8.846 455 2HE LYS 64 1HE LYS 64 -7.673 11.387 -8.380 456 1HZ LYS 64 1HZ LYS 64 -5.867 10.972 -10.280 457 2HZ LYS 64 2HZ LYS 64 -7.402 11.611 -10.590 458 3HZ LYS 64 3HZ LYS 64 -7.104 9.967 -10.850 459 H CYS 65 H CYS 65 -1.733 6.956 -6.511 460 HA CYS 65 HA CYS 65 -0.616 5.424 -5.279 461 1HB CYS 65 2HB CYS 65 -2.759 6.153 -3.301 462 2HB CYS 65 1HB CYS 65 -1.562 4.915 -2.940 463 H ASN 66 H ASN 66 -4.145 4.786 -5.080 464 HA ASN 66 HA ASN 66 -4.392 2.202 -4.572 465 1HB ASN 66 2HB ASN 66 -6.116 2.080 -6.464 466 2HB ASN 66 1HB ASN 66 -6.340 3.327 -5.243 467 1HD2 ASN 66 1HD2 ASN 66 -7.561 4.590 -6.624 468 2HD2 ASN 66 2HD2 ASN 66 -6.861 5.473 -7.931 469 HA PRO 67 HA PRO 67 -1.581 0.444 -7.686 470 1HB PRO 67 2HB PRO 67 -0.555 -1.506 -6.175 471 2HB PRO 67 1HB PRO 67 -0.071 0.177 -5.947 472 1HG PRO 67 2HG PRO 67 -1.971 -1.477 -4.341 473 2HG PRO 67 1HG PRO 67 -0.777 -0.288 -3.793 474 1HD PRO 67 2HD PRO 67 -3.499 0.191 -4.119 475 2HD PRO 67 1HD PRO 67 -2.241 1.438 -4.035 476 H HIS 68 H HIS 68 -2.073 -2.500 -5.970 477 HA HIS 68 HA HIS 68 -4.506 -3.415 -6.902 478 1HB HIS 68 2HB HIS 68 -2.919 -2.994 -9.090 479 2HB HIS 68 1HB HIS 68 -2.589 -4.687 -8.742 480 HD1 HIS 68 1HD HIS 68 -4.624 -6.339 -8.887 481 HD2 HIS 68 2HD HIS 68 -5.413 -2.467 -10.171 482 HE1 HIS 68 1HE HIS 68 -6.793 -6.480 -10.150 483 HE2 HIS 68 2HE HIS 68 -7.292 -4.110 -10.848 484 HA PRO 69 HA PRO 69 -3.101 -6.567 -4.084 485 1HB PRO 69 2HB PRO 69 -5.309 -8.169 -5.236 486 2HB PRO 69 1HB PRO 69 -5.004 -7.717 -3.556 487 1HG PRO 69 2HG PRO 69 -6.961 -6.563 -4.955 488 2HG PRO 69 1HG PRO 69 -5.985 -5.634 -3.800 489 1HD PRO 69 2HD PRO 69 -5.819 -5.717 -6.788 490 2HD PRO 69 1HD PRO 69 -5.660 -4.333 -5.686 491 H LYS 70 H LYS 70 -2.108 -8.631 -4.114 492 HA LYS 70 HA LYS 70 -1.236 -9.447 -6.787 493 1HB LYS 70 2HB LYS 70 0.520 -10.731 -5.580 494 2HB LYS 70 1HB LYS 70 0.578 -9.002 -5.274 495 1HG LYS 70 2HG LYS 70 0.233 -9.265 -3.090 496 2HG LYS 70 1HG LYS 70 -1.043 -10.456 -3.337 497 1HD LYS 70 2HD LYS 70 1.459 -11.617 -4.081 498 2HD LYS 70 1HD LYS 70 1.626 -10.883 -2.485 499 1HE LYS 70 2HE LYS 70 -0.848 -12.409 -2.868 500 2HE LYS 70 1HE LYS 70 0.625 -13.372 -2.970 501 1HZ LYS 70 1HZ LYS 70 -0.469 -11.885 -0.690 502 2HZ LYS 70 2HZ LYS 70 1.208 -12.065 -0.805 503 3HZ LYS 70 3HZ LYS 70 0.215 -13.432 -0.739 504 H GLN 71 H GLN 71 -2.881 -10.646 -3.926 505 HA GLN 71 HA GLN 71 -2.920 -13.366 -4.415 506 1HB GLN 71 2HB GLN 71 -3.850 -12.341 -2.390 507 2HB GLN 71 1HB GLN 71 -5.169 -11.660 -3.330 508 1HG GLN 71 2HG GLN 71 -6.280 -13.475 -2.646 509 2HG GLN 71 1HG GLN 71 -5.414 -14.276 -3.956 510 1HE2 GLN 71 1HE2 GLN 71 -5.111 -13.455 -0.524 511 2HE2 GLN 71 2HE2 GLN 71 -4.274 -14.897 -0.074 512 H ARG 72 H ARG 72 -5.500 -11.094 -5.372 513 HA ARG 72 HA ARG 72 -6.835 -12.905 -7.063 514 1HB ARG 72 2HB ARG 72 -6.844 -9.904 -6.832 515 2HB ARG 72 1HB ARG 72 -7.803 -10.727 -8.052 516 1HG ARG 72 2HG ARG 72 -8.033 -11.004 -5.066 517 2HG ARG 72 1HG ARG 72 -9.194 -10.260 -6.168 518 1HD ARG 72 2HD ARG 72 -10.162 -12.312 -5.923 519 2HD ARG 72 1HD ARG 72 -9.111 -12.645 -7.299 520 HE ARG 72 HE ARG 72 -7.609 -13.238 -5.082 521 1HH1 ARG 72 1HH1 ARG 72 -10.663 -14.308 -6.389 522 2HH1 ARG 72 2HH1 ARG 72 -10.532 -15.902 -5.724 523 1HH2 ARG 72 1HH2 ARG 72 -7.436 -15.335 -4.205 524 2HH2 ARG 72 2HH2 ARG 72 -8.701 -16.485 -4.485 525 HA PRO 73 HA PRO 73 -4.860 -13.137 -10.992 526 1HB PRO 73 2HB PRO 73 -7.054 -11.418 -12.084 527 2HB PRO 73 1HB PRO 73 -6.384 -12.924 -12.724 528 1HG PRO 73 2HG PRO 73 -8.706 -12.920 -11.420 529 2HG PRO 73 1HG PRO 73 -7.542 -14.241 -11.207 530 1HD PRO 73 2HD PRO 73 -8.256 -12.033 -9.356 531 2HD PRO 73 1HD PRO 73 -7.681 -13.671 -8.994 532 H GLY 74 H GLY 74 -6.339 -9.900 -10.644 533 1HA GLY 74 2HA GLY 74 -5.484 -7.797 -10.985 534 2HA GLY 74 1HA GLY 74 -3.959 -8.471 -10.421 535 1H TYR 181 1HT TYR 181 -5.966 -13.505 23.162 536 2H TYR 181 2HT TYR 181 -7.106 -14.549 23.907 537 3H TYR 181 3HT TYR 181 -6.698 -14.762 22.253 538 HA TYR 181 HA TYR 181 -4.777 -15.000 24.465 539 1HB TYR 181 2HB TYR 181 -6.910 -16.636 24.134 540 2HB TYR 181 1HB TYR 181 -5.765 -17.401 23.037 541 HD1 TYR 181 1HD TYR 181 -5.060 -19.346 24.100 542 HD2 TYR 181 2HD TYR 181 -5.202 -15.718 26.316 543 HE1 TYR 181 1HE TYR 181 -3.997 -20.476 26.008 544 HE2 TYR 181 2HE TYR 181 -4.138 -16.837 28.229 545 HH TYR 181 HH TYR 181 -2.456 -19.273 28.234 546 H ARG 182 H ARG 182 -3.445 -17.140 23.340 547 HA ARG 182 HA ARG 182 -1.597 -17.440 22.039 548 1HB ARG 182 2HB ARG 182 -2.358 -17.140 19.464 549 2HB ARG 182 1HB ARG 182 -2.734 -18.553 20.438 550 1HG ARG 182 2HG ARG 182 -4.919 -17.514 21.002 551 2HG ARG 182 1HG ARG 182 -4.537 -16.208 19.879 552 1HD ARG 182 2HD ARG 182 -4.132 -18.775 18.634 553 2HD ARG 182 1HD ARG 182 -5.764 -18.651 19.292 554 HE ARG 182 HE ARG 182 -5.160 -16.299 17.880 555 1HH1 ARG 182 1HH1 ARG 182 -5.803 -19.681 17.303 556 2HH1 ARG 182 2HH1 ARG 182 -6.458 -19.415 15.722 557 1HH2 ARG 182 1HH2 ARG 182 -6.022 -15.949 15.800 558 2HH2 ARG 182 2HH2 ARG 182 -6.582 -17.297 14.869 559 H GLY 183 H GLY 183 -2.907 -15.162 19.691 560 1HA GLY 183 2HA GLY 183 -2.254 -12.981 19.208 561 2HA GLY 183 1HA GLY 183 -1.140 -13.039 20.566 562 H TRP 184 H TRP 184 -0.838 -15.735 18.536 563 HA TRP 184 HA TRP 184 1.795 -15.040 17.769 564 1HB TRP 184 2HB TRP 184 1.828 -17.131 16.579 565 2HB TRP 184 1HB TRP 184 0.956 -17.375 18.088 566 HD1 TRP 184 HD TRP 184 -1.821 -16.035 16.835 567 HE1 TRP 184 1HE TRP 184 -3.245 -17.544 15.311 568 HE3 TRP 184 3HE TRP 184 1.733 -19.482 15.555 569 HZ2 TRP 184 2HZ TRP 184 -2.905 -19.885 13.770 570 HZ3 TRP 184 3HZ TRP 184 1.102 -21.324 14.052 571 HH2 TRP 184 HH TRP 184 -1.169 -21.521 13.178 572 H LYS 185 H LYS 185 2.084 -15.791 15.151 573 HA LYS 185 HA LYS 185 1.349 -13.400 13.790 574 1HB LYS 185 2HB LYS 185 3.455 -14.672 13.374 575 2HB LYS 185 1HB LYS 185 2.497 -15.940 12.624 576 1HG LYS 185 2HG LYS 185 3.417 -14.592 10.894 577 2HG LYS 185 1HG LYS 185 1.686 -14.256 10.976 578 1HD LYS 185 2HD LYS 185 1.997 -12.138 11.776 579 2HD LYS 185 1HD LYS 185 3.514 -12.548 12.580 580 1HE LYS 185 2HE LYS 185 3.773 -11.032 10.618 581 2HE LYS 185 1HE LYS 185 4.698 -12.529 10.503 582 1HZ LYS 185 1HZ LYS 185 2.037 -12.617 9.355 583 2HZ LYS 185 2HZ LYS 185 3.494 -13.236 8.761 584 3HZ LYS 185 3HZ LYS 185 3.129 -11.597 8.561 585 H HIS 186 H HIS 186 0.045 -13.181 11.928 586 HA HIS 186 HA HIS 186 -1.736 -15.359 11.208 587 1HB HIS 186 2HB HIS 186 -3.779 -14.131 11.647 588 2HB HIS 186 1HB HIS 186 -2.842 -14.239 13.136 589 HD1 HIS 186 1HD HIS 186 -4.736 -12.106 13.383 590 HD2 HIS 186 2HD HIS 186 -1.188 -11.488 11.307 591 HE1 HIS 186 1HE HIS 186 -4.393 -9.615 13.363 592 HE2 HIS 186 2HE HIS 186 -2.199 -9.271 12.174 593 H TRP 187 H TRP 187 -3.597 -13.839 9.756 594 HA TRP 187 HA TRP 187 -2.403 -13.535 7.306 595 1HB TRP 187 2HB TRP 187 -4.358 -12.115 6.687 596 2HB TRP 187 1HB TRP 187 -4.804 -13.614 7.499 597 HD1 TRP 187 HD TRP 187 -4.568 -9.825 8.166 598 HE1 TRP 187 1HE TRP 187 -6.141 -9.250 10.122 599 HE3 TRP 187 3HE TRP 187 -6.001 -14.556 9.478 600 HZ2 TRP 187 2HZ TRP 187 -7.772 -10.619 11.974 601 HZ3 TRP 187 3HZ TRP 187 -7.571 -14.836 11.352 602 HH2 TRP 187 HH TRP 187 -8.437 -12.907 12.573 603 H VAL 188 H VAL 188 -2.059 -11.558 6.003 604 HA VAL 188 HA VAL 188 -0.432 -9.709 7.505 605 HB VAL 188 HB VAL 188 -0.738 -9.189 4.628 606 1HG1 VAL 188 1HG1 VAL 188 1.364 -9.294 6.694 607 2HG1 VAL 188 2HG1 VAL 188 1.063 -8.093 5.439 608 3HG1 VAL 188 3HG1 VAL 188 1.863 -9.613 5.033 609 1HG2 VAL 188 1HG2 VAL 188 0.094 -11.886 5.630 610 2HG2 VAL 188 2HG2 VAL 188 0.792 -11.216 4.155 611 3HG2 VAL 188 3HG2 VAL 188 -0.949 -11.476 4.267 612 H TYR 189 H TYR 189 -2.208 -8.568 4.681 613 HA TYR 189 HA TYR 189 -4.155 -7.135 6.217 614 1HB TYR 189 2HB TYR 189 -1.593 -5.948 5.679 615 2HB TYR 189 1HB TYR 189 -2.856 -5.048 4.837 616 HD1 TYR 189 1HD TYR 189 -4.625 -3.913 6.102 617 HD2 TYR 189 2HD TYR 189 -1.470 -5.965 8.087 618 HE1 TYR 189 1HE TYR 189 -5.205 -2.768 8.200 619 HE2 TYR 189 2HE TYR 189 -2.042 -4.828 10.189 620 HH TYR 189 HH TYR 189 -3.909 -3.707 11.228 621 H TYR 190 H TYR 190 -5.896 -7.373 4.956 622 HA TYR 190 HA TYR 190 -5.570 -6.944 2.057 623 1HB TYR 190 2HB TYR 190 -7.863 -8.551 3.065 624 2HB TYR 190 1HB TYR 190 -6.985 -8.670 1.541 625 HD1 TYR 190 1HD TYR 190 -4.582 -9.619 1.659 626 HD2 TYR 190 2HD TYR 190 -7.442 -10.077 4.774 627 HE1 TYR 190 1HE TYR 190 -3.308 -11.529 2.538 628 HE2 TYR 190 2HE TYR 190 -6.174 -11.987 5.663 629 HH TYR 190 HH TYR 190 -3.021 -12.716 4.686 630 H THR 191 H THR 191 -6.022 -4.737 2.310 631 HA THR 191 HA THR 191 -8.619 -3.973 3.378 632 HB THR 191 HB THR 191 -7.882 -1.708 3.186 633 HG1 THR 191 1HG THR 191 -5.840 -1.266 2.160 634 1HG2 THR 191 1HG2 THR 191 -6.754 -2.184 5.051 635 2HG2 THR 191 2HG2 THR 191 -5.331 -2.079 4.016 636 3HG2 THR 191 3HG2 THR 191 -6.048 -3.650 4.372 637 H CYS 192 H CYS 192 -7.356 -4.924 0.406 638 HA CYS 192 HA CYS 192 -8.434 -3.340 -1.535 639 1HB CYS 192 2HB CYS 192 -7.426 -5.075 -2.581 640 2HB CYS 192 1HB CYS 192 -7.837 -6.213 -1.313 641 H CYS 193 H CYS 193 -10.239 -3.961 -2.957 642 HA CYS 193 HA CYS 193 -12.499 -3.895 -3.296 643 1HB CYS 193 2HB CYS 193 -13.285 -6.078 -1.714 644 2HB CYS 193 1HB CYS 193 -12.775 -6.113 -3.397 645 HA PRO 194 HA PRO 194 -14.044 -1.169 -0.023 646 1HB PRO 194 2HB PRO 194 -16.483 -1.765 -1.664 647 2HB PRO 194 1HB PRO 194 -15.938 -0.226 -0.986 648 1HG PRO 194 2HG PRO 194 -15.543 -0.767 -3.555 649 2HG PRO 194 1HG PRO 194 -14.295 0.059 -2.604 650 1HD PRO 194 2HD PRO 194 -14.371 -2.740 -3.599 651 2HD PRO 194 1HD PRO 194 -12.976 -1.688 -3.288 652 H ASP 195 H ASP 195 -15.701 -1.310 1.638 653 HA ASP 195 HA ASP 195 -16.198 -4.083 2.397 654 1HB ASP 195 2HB ASP 195 -16.405 -1.501 3.954 655 2HB ASP 195 1HB ASP 195 -16.783 -3.092 4.619 656 H THR 196 H THR 196 -17.899 -1.448 1.059 657 HA THR 196 HA THR 196 -20.470 -2.762 1.725 658 HB THR 196 HB THR 196 -21.479 -0.459 1.416 659 HG1 THR 196 1HG THR 196 -19.523 0.385 0.386 660 1HG2 THR 196 1HG2 THR 196 -19.737 -1.221 3.682 661 2HG2 THR 196 2HG2 THR 196 -21.471 -0.905 3.635 662 3HG2 THR 196 3HG2 THR 196 -20.328 0.439 3.620 663 HA PRO 197 HA PRO 197 -20.000 -2.269 -2.960 664 1HB PRO 197 2HB PRO 197 -19.030 -4.662 -3.699 665 2HB PRO 197 1HB PRO 197 -17.941 -3.345 -3.242 666 1HG PRO 197 2HG PRO 197 -18.842 -5.703 -1.636 667 2HG PRO 197 1HG PRO 197 -17.226 -4.985 -1.760 668 1HD PRO 197 2HD PRO 197 -18.962 -4.504 0.313 669 2HD PRO 197 1HD PRO 197 -17.691 -3.378 -0.198 670 H TYR 198 H TYR 198 -21.572 -3.559 -0.604 671 HA TYR 198 HA TYR 198 -23.070 -5.704 -1.720 672 1HB TYR 198 2HB TYR 198 -22.458 -5.352 0.707 673 2HB TYR 198 1HB TYR 198 -23.617 -4.023 0.738 674 HD1 TYR 198 1HD TYR 198 -25.840 -4.459 1.299 675 HD2 TYR 198 2HD TYR 198 -23.391 -7.669 -0.044 676 HE1 TYR 198 1HE TYR 198 -27.645 -6.046 1.818 677 HE2 TYR 198 2HE TYR 198 -25.190 -9.264 0.469 678 HH TYR 198 HH TYR 198 -27.174 -9.394 1.934 Start of MODEL 4 1 1H ILE 1 1HT ILE 1 -4.296 16.658 -9.626 2 2H ILE 1 2HT ILE 1 -4.547 17.387 -8.093 3 3H ILE 1 3HT ILE 1 -5.637 16.192 -8.667 4 HA ILE 1 HA ILE 1 -3.780 14.616 -8.692 5 HB ILE 1 HB ILE 1 -2.420 16.676 -6.956 6 1HG1 ILE 1 2HG1 ILE 1 -2.415 17.496 -9.246 7 2HG1 ILE 1 1HG1 ILE 1 -0.804 16.925 -8.823 8 1HG2 ILE 1 1HG2 ILE 1 -0.514 14.926 -7.734 9 2HG2 ILE 1 2HG2 ILE 1 -1.924 13.868 -7.680 10 3HG2 ILE 1 3HG2 ILE 1 -1.446 14.775 -6.245 11 1HD1 ILE 1 1HD1 ILE 1 -0.863 15.776 -10.717 12 2HD1 ILE 1 2HD1 ILE 1 -2.594 16.050 -10.916 13 3HD1 ILE 1 3HD1 ILE 1 -2.022 14.708 -9.926 14 H VAL 2 H VAL 2 -4.211 13.092 -7.216 15 HA VAL 2 HA VAL 2 -4.537 13.507 -4.461 16 HB VAL 2 HB VAL 2 -6.620 14.644 -5.252 17 1HG1 VAL 2 1HG1 VAL 2 -8.343 12.512 -5.695 18 2HG1 VAL 2 2HG1 VAL 2 -6.932 12.160 -6.690 19 3HG1 VAL 2 3HG1 VAL 2 -7.786 13.690 -6.881 20 1HG2 VAL 2 1HG2 VAL 2 -6.698 14.001 -3.036 21 2HG2 VAL 2 2HG2 VAL 2 -6.696 12.283 -3.418 22 3HG2 VAL 2 3HG2 VAL 2 -8.143 13.248 -3.703 23 H CYS 3 H CYS 3 -4.885 11.547 -3.312 24 HA CYS 3 HA CYS 3 -4.708 9.161 -5.022 25 1HB CYS 3 2HB CYS 3 -3.248 8.191 -3.492 26 2HB CYS 3 1HB CYS 3 -2.761 9.885 -3.495 27 H HIS 4 H HIS 4 -6.390 10.612 -2.342 28 HA HIS 4 HA HIS 4 -8.204 10.023 -1.142 29 1HB HIS 4 2HB HIS 4 -9.456 7.967 -2.605 30 2HB HIS 4 1HB HIS 4 -9.880 9.673 -2.565 31 HD1 HIS 4 1HD HIS 4 -9.512 7.225 -4.934 32 HD2 HIS 4 2HD HIS 4 -7.800 10.993 -4.574 33 HE1 HIS 4 1HE HIS 4 -8.831 7.875 -7.261 34 HE2 HIS 4 2HE HIS 4 -7.889 10.202 -7.036 35 H THR 5 H THR 5 -9.265 8.245 0.069 36 HA THR 5 HA THR 5 -7.255 6.257 0.788 37 HB THR 5 HB THR 5 -9.816 6.683 2.289 38 HG1 THR 5 1HG THR 5 -9.209 8.721 2.363 39 1HG2 THR 5 1HG2 THR 5 -8.413 4.912 3.104 40 2HG2 THR 5 2HG2 THR 5 -8.376 6.262 4.240 41 3HG2 THR 5 3HG2 THR 5 -7.018 5.990 3.147 42 H THR 6 H THR 6 -8.711 5.900 -1.632 43 HA THR 6 HA THR 6 -10.937 4.414 -1.759 44 HB THR 6 HB THR 6 -8.384 3.613 -3.162 45 HG1 THR 6 1HG THR 6 -10.304 5.530 -3.973 46 1HG2 THR 6 1HG2 THR 6 -11.127 3.511 -4.334 47 2HG2 THR 6 2HG2 THR 6 -10.490 2.168 -3.387 48 3HG2 THR 6 3HG2 THR 6 -9.657 2.686 -4.852 49 H ALA 7 H ALA 7 -7.861 3.333 -0.480 50 HA ALA 7 HA ALA 7 -7.174 1.286 0.337 51 1HB ALA 7 1HB ALA 7 -9.091 2.590 1.951 52 2HB ALA 7 2HB ALA 7 -7.788 1.514 2.452 53 3HB ALA 7 3HB ALA 7 -9.382 0.856 2.083 54 H THR 8 H THR 8 -7.471 0.070 -1.605 55 HA THR 8 HA THR 8 -8.010 -1.920 -2.561 56 HB THR 8 HB THR 8 -9.295 -3.531 -1.507 57 HG1 THR 8 1HG THR 8 -10.987 -3.070 -0.102 58 1HG2 THR 8 1HG2 THR 8 -9.121 -2.709 1.110 59 2HG2 THR 8 2HG2 THR 8 -7.812 -1.841 0.311 60 3HG2 THR 8 3HG2 THR 8 -7.897 -3.594 0.205 61 H SER 9 H SER 9 -10.810 0.095 -1.614 62 HA SER 9 HA SER 9 -11.507 0.538 -4.307 63 1HB SER 9 2HB SER 9 -13.872 -0.787 -3.546 64 2HB SER 9 1HB SER 9 -12.727 -1.258 -4.801 65 HG SER 9 HG SER 9 -12.641 -2.965 -3.513 66 HA PRO 10 HA PRO 10 -14.891 2.671 -1.813 67 1HB PRO 10 2HB PRO 10 -15.916 1.713 0.429 68 2HB PRO 10 1HB PRO 10 -16.210 0.876 -1.099 69 1HG PRO 10 2HG PRO 10 -14.148 0.268 1.000 70 2HG PRO 10 1HG PRO 10 -15.318 -0.835 0.248 71 1HD PRO 10 2HD PRO 10 -12.739 -0.600 -0.607 72 2HD PRO 10 1HD PRO 10 -14.085 -1.030 -1.683 73 H ILE 11 H ILE 11 -15.099 2.696 1.303 74 HA ILE 11 HA ILE 11 -14.113 3.654 3.108 75 HB ILE 11 HB ILE 11 -11.642 4.043 1.426 76 1HG1 ILE 11 2HG1 ILE 11 -12.025 1.696 1.574 77 2HG1 ILE 11 1HG1 ILE 11 -10.816 2.076 2.795 78 1HG2 ILE 11 1HG2 ILE 11 -12.386 4.858 4.109 79 2HG2 ILE 11 2HG2 ILE 11 -11.000 5.335 3.129 80 3HG2 ILE 11 3HG2 ILE 11 -10.931 3.861 4.094 81 1HD1 ILE 11 1HD1 ILE 11 -12.552 2.044 4.515 82 2HD1 ILE 11 2HD1 ILE 11 -12.441 0.509 3.655 83 3HD1 ILE 11 3HD1 ILE 11 -13.749 1.633 3.287 84 H SER 12 H SER 12 -12.022 5.867 1.511 85 HA SER 12 HA SER 12 -14.032 7.799 0.847 86 1HB SER 12 2HB SER 12 -12.294 8.620 3.154 87 2HB SER 12 1HB SER 12 -13.830 9.301 2.620 88 HG SER 12 HG SER 12 -13.964 8.001 4.551 89 H ALA 13 H ALA 13 -12.510 10.132 1.206 90 HA ALA 13 HA ALA 13 -10.227 9.626 -0.589 91 1HB ALA 13 1HB ALA 13 -10.675 11.929 -1.481 92 2HB ALA 13 2HB ALA 13 -12.185 11.908 -0.571 93 3HB ALA 13 3HB ALA 13 -11.909 10.725 -1.848 94 H VAL 14 H VAL 14 -8.414 9.842 0.571 95 HA VAL 14 HA VAL 14 -8.193 11.534 2.857 96 HB VAL 14 HB VAL 14 -6.785 9.727 3.094 97 1HG1 VAL 14 1HG1 VAL 14 -6.708 8.469 1.224 98 2HG1 VAL 14 2HG1 VAL 14 -5.147 9.254 1.001 99 3HG1 VAL 14 3HG1 VAL 14 -6.566 9.864 0.159 100 1HG2 VAL 14 1HG2 VAL 14 -5.554 11.986 3.215 101 2HG2 VAL 14 2HG2 VAL 14 -4.784 11.476 1.714 102 3HG2 VAL 14 3HG2 VAL 14 -4.594 10.507 3.175 103 H THR 15 H THR 15 -6.572 11.548 -0.318 104 HA THR 15 HA THR 15 -5.719 13.210 -1.594 105 HB THR 15 HB THR 15 -6.703 15.341 -1.588 106 HG1 THR 15 1HG THR 15 -6.332 15.947 0.532 107 1HG2 THR 15 1HG2 THR 15 -8.377 13.140 -1.380 108 2HG2 THR 15 2HG2 THR 15 -8.776 14.732 -2.027 109 3HG2 THR 15 3HG2 THR 15 -9.095 14.364 -0.331 110 H CYS 16 H CYS 16 -3.719 13.971 -1.573 111 HA CYS 16 HA CYS 16 -2.657 15.063 0.951 112 1HB CYS 16 2HB CYS 16 -1.624 12.812 -0.697 113 2HB CYS 16 1HB CYS 16 -0.432 13.921 -0.020 114 HA PRO 17 HA PRO 17 -1.420 17.846 -2.504 115 1HB PRO 17 2HB PRO 17 -3.284 19.728 -2.384 116 2HB PRO 17 1HB PRO 17 -3.642 18.148 -3.091 117 1HG PRO 17 2HG PRO 17 -4.499 19.288 -0.496 118 2HG PRO 17 1HG PRO 17 -5.282 18.054 -1.495 119 1HD PRO 17 2HD PRO 17 -3.552 17.680 0.788 120 2HD PRO 17 1HD PRO 17 -4.390 16.446 -0.171 121 HA PRO 18 HA PRO 18 -0.585 20.890 1.123 122 1HB PRO 18 2HB PRO 18 0.824 19.710 3.059 123 2HB PRO 18 1HB PRO 18 -0.941 19.610 3.027 124 1HG PRO 18 2HG PRO 18 1.087 17.580 2.197 125 2HG PRO 18 1HG PRO 18 -0.435 17.350 3.075 126 1HD PRO 18 2HD PRO 18 -0.091 16.923 0.363 127 2HD PRO 18 1HD PRO 18 -1.649 17.226 1.154 128 H GLY 19 H GLY 19 1.806 21.267 2.267 129 1HA GLY 19 2HA GLY 19 3.549 21.674 0.075 130 2HA GLY 19 1HA GLY 19 3.966 21.883 1.774 131 H GLU 20 H GLU 20 3.639 19.485 -0.800 132 HA GLU 20 HA GLU 20 4.788 17.584 -1.254 133 1HB GLU 20 2HB GLU 20 7.001 17.813 -1.013 134 2HB GLU 20 1HB GLU 20 6.674 19.287 -0.119 135 1HG GLU 20 2HG GLU 20 6.710 18.041 1.973 136 2HG GLU 20 1HG GLU 20 7.000 16.546 1.085 137 H ASN 21 H ASN 21 3.929 15.703 -0.716 138 HA ASN 21 HA ASN 21 4.070 14.772 2.041 139 1HB ASN 21 2HB ASN 21 1.736 15.927 1.121 140 2HB ASN 21 1HB ASN 21 1.451 14.204 0.866 141 1HD2 ASN 21 1HD2 ASN 21 -0.195 15.210 2.565 142 2HD2 ASN 21 2HD2 ASN 21 0.223 14.871 4.206 143 H LEU 22 H LEU 22 2.511 13.862 -1.023 144 HA LEU 22 HA LEU 22 2.719 12.051 -2.373 145 1HB LEU 22 2HB LEU 22 5.193 11.543 -0.730 146 2HB LEU 22 1HB LEU 22 4.725 10.580 -2.115 147 HG LEU 22 HG LEU 22 6.442 12.214 -2.703 148 1HD1 LEU 22 1HD1 LEU 22 4.250 11.600 -4.136 149 2HD1 LEU 22 2HD1 LEU 22 5.574 12.597 -4.738 150 3HD1 LEU 22 3HD1 LEU 22 4.119 13.358 -4.093 151 1HD2 LEU 22 1HD2 LEU 22 6.131 14.549 -2.561 152 2HD2 LEU 22 2HD2 LEU 22 5.681 13.901 -0.984 153 3HD2 LEU 22 3HD2 LEU 22 4.429 14.370 -2.133 154 H CYS 23 H CYS 23 1.065 10.740 -2.073 155 HA CYS 23 HA CYS 23 0.388 9.493 0.346 156 1HB CYS 23 2HB CYS 23 -0.567 9.286 -2.460 157 2HB CYS 23 1HB CYS 23 -1.054 8.038 -1.312 158 H TYR 24 H TYR 24 2.724 8.679 0.607 159 HA TYR 24 HA TYR 24 4.192 6.837 -0.458 160 1HB TYR 24 2HB TYR 24 3.551 7.455 2.216 161 2HB TYR 24 1HB TYR 24 3.551 5.699 2.107 162 HD1 TYR 24 1HD TYR 24 5.496 5.229 3.359 163 HD2 TYR 24 2HD TYR 24 5.695 7.990 0.128 164 HE1 TYR 24 1HE TYR 24 7.950 5.227 3.516 165 HE2 TYR 24 2HE TYR 24 8.150 7.993 0.274 166 HH TYR 24 HH TYR 24 9.880 5.736 2.233 167 H ARG 25 H ARG 25 4.263 4.762 -1.142 168 HA ARG 25 HA ARG 25 1.843 3.132 -0.774 169 1HB ARG 25 2HB ARG 25 2.014 2.351 -3.066 170 2HB ARG 25 1HB ARG 25 1.882 4.103 -3.034 171 1HG ARG 25 2HG ARG 25 3.658 4.164 -4.360 172 2HG ARG 25 1HG ARG 25 4.616 3.617 -2.982 173 1HD ARG 25 2HD ARG 25 4.880 2.259 -5.078 174 2HD ARG 25 1HD ARG 25 4.420 1.343 -3.644 175 HE ARG 25 HE ARG 25 2.463 0.788 -4.677 176 1HH1 ARG 25 1HH1 ARG 25 3.854 3.526 -6.333 177 2HH1 ARG 25 2HH1 ARG 25 2.685 3.508 -7.610 178 1HH2 ARG 25 1HH2 ARG 25 0.926 0.757 -6.358 179 2HH2 ARG 25 2HH2 ARG 25 1.022 1.935 -7.624 180 H LYS 26 H LYS 26 2.412 1.461 0.458 181 HA LYS 26 HA LYS 26 4.990 0.138 -0.077 182 1HB LYS 26 2HB LYS 26 4.664 -0.789 2.288 183 2HB LYS 26 1HB LYS 26 5.101 0.906 2.143 184 1HG LYS 26 2HG LYS 26 2.938 1.628 2.689 185 2HG LYS 26 1HG LYS 26 2.247 0.026 2.414 186 1HD LYS 26 2HD LYS 26 2.367 0.354 4.773 187 2HD LYS 26 1HD LYS 26 3.629 -0.800 4.335 188 1HE LYS 26 2HE LYS 26 4.974 1.544 4.122 189 2HE LYS 26 1HE LYS 26 3.843 1.927 5.419 190 1HZ LYS 26 1HZ LYS 26 4.779 0.406 6.811 191 2HZ LYS 26 2HZ LYS 26 6.150 0.817 5.909 192 3HZ LYS 26 3HZ LYS 26 5.306 -0.607 5.562 193 H MET 27 H MET 27 4.729 -1.682 -1.198 194 HA MET 27 HA MET 27 2.536 -3.476 -0.445 195 1HB MET 27 2HB MET 27 2.611 -3.944 -3.112 196 2HB MET 27 1HB MET 27 1.467 -2.861 -2.334 197 1HG MET 27 2HG MET 27 2.288 -1.664 -4.156 198 2HG MET 27 1HG MET 27 3.156 -1.013 -2.769 199 1HE MET 27 1HE MET 27 3.253 -3.611 -5.636 200 2HE MET 27 2HE MET 27 4.028 -4.562 -4.370 201 3HE MET 27 3HE MET 27 4.965 -4.018 -5.762 202 H TRP 28 H TRP 28 3.807 -4.980 0.501 203 HA TRP 28 HA TRP 28 6.287 -5.904 -0.571 204 1HB TRP 28 2HB TRP 28 4.683 -6.337 1.794 205 2HB TRP 28 1HB TRP 28 5.256 -7.874 1.158 206 HD1 TRP 28 HD TRP 28 8.110 -6.606 0.107 207 HE1 TRP 28 1HE TRP 28 9.926 -6.174 1.880 208 HE3 TRP 28 3HE TRP 28 5.158 -6.478 4.278 209 HZ2 TRP 28 2HZ TRP 28 10.084 -5.826 4.678 210 HZ3 TRP 28 3HZ TRP 28 6.219 -6.093 6.464 211 HH2 TRP 28 HH TRP 28 8.632 -5.774 6.658 212 H CYS 29 H CYS 29 6.149 -8.630 -0.367 213 HA CYS 29 HA CYS 29 4.244 -9.396 -2.464 214 1HB CYS 29 2HB CYS 29 6.858 -10.720 -2.616 215 2HB CYS 29 1HB CYS 29 5.839 -10.071 -3.897 216 H ASP 30 H ASP 30 4.975 -12.033 -2.755 217 HA ASP 30 HA ASP 30 4.035 -13.127 -0.228 218 1HB ASP 30 2HB ASP 30 3.840 -15.260 -1.588 219 2HB ASP 30 1HB ASP 30 2.826 -13.919 -2.114 220 H ALA 31 H ALA 31 6.699 -13.706 -2.522 221 HA ALA 31 HA ALA 31 8.451 -14.402 -0.329 222 1HB ALA 31 1HB ALA 31 7.817 -16.580 -0.477 223 2HB ALA 31 2HB ALA 31 9.043 -16.572 -1.746 224 3HB ALA 31 3HB ALA 31 7.335 -16.442 -2.168 225 H PHE 32 H PHE 32 8.536 -15.255 -3.778 226 HA PHE 32 HA PHE 32 11.109 -13.917 -4.019 227 1HB PHE 32 2HB PHE 32 10.608 -16.243 -4.937 228 2HB PHE 32 1HB PHE 32 9.657 -15.438 -6.180 229 HD1 PHE 32 1HD PHE 32 13.049 -15.841 -4.800 230 HD2 PHE 32 2HD PHE 32 10.689 -14.367 -8.019 231 HE1 PHE 32 1HE PHE 32 15.087 -15.514 -6.139 232 HE2 PHE 32 2HE PHE 32 12.722 -14.037 -9.364 233 HZ PHE 32 HZ PHE 32 14.926 -14.611 -8.424 234 H CYS 33 H CYS 33 8.256 -12.626 -3.966 235 HA CYS 33 HA CYS 33 7.149 -10.915 -4.987 236 1HB CYS 33 2HB CYS 33 10.007 -10.183 -5.642 237 2HB CYS 33 1HB CYS 33 8.638 -9.097 -5.850 238 H SER 34 H SER 34 6.165 -12.373 -6.527 239 HA SER 34 HA SER 34 7.009 -11.754 -9.270 240 1HB SER 34 2HB SER 34 6.242 -14.153 -9.835 241 2HB SER 34 1HB SER 34 7.815 -13.954 -9.066 242 HG SER 34 HG SER 34 6.011 -15.526 -8.233 243 H SER 35 H SER 35 5.029 -10.404 -7.885 244 HA SER 35 HA SER 35 2.882 -9.682 -8.089 245 1HB SER 35 2HB SER 35 3.662 -10.273 -10.613 246 2HB SER 35 1HB SER 35 2.277 -11.353 -10.457 247 HG SER 35 HG SER 35 2.056 -8.964 -11.154 248 H ARG 36 H ARG 36 3.393 -12.002 -6.491 249 HA ARG 36 HA ARG 36 0.742 -13.271 -6.645 250 1HB ARG 36 2HB ARG 36 2.531 -14.822 -7.423 251 2HB ARG 36 1HB ARG 36 3.300 -14.673 -5.849 252 1HG ARG 36 2HG ARG 36 0.660 -15.372 -5.295 253 2HG ARG 36 1HG ARG 36 1.120 -16.364 -6.680 254 1HD ARG 36 2HD ARG 36 3.329 -16.493 -5.027 255 2HD ARG 36 1HD ARG 36 1.972 -16.520 -3.902 256 HE ARG 36 HE ARG 36 1.383 -18.328 -5.918 257 1HH1 ARG 36 1HH1 ARG 36 3.807 -17.932 -3.439 258 2HH1 ARG 36 2HH1 ARG 36 4.079 -19.633 -3.258 259 1HH2 ARG 36 1HH2 ARG 36 1.740 -20.565 -5.682 260 2HH2 ARG 36 2HH2 ARG 36 2.906 -21.128 -4.532 261 H GLY 37 H GLY 37 1.672 -10.985 -5.093 262 1HA GLY 37 2HA GLY 37 1.653 -12.082 -2.360 263 2HA GLY 37 1HA GLY 37 2.190 -10.468 -2.801 264 H LYS 38 H LYS 38 0.722 -9.996 -0.921 265 HA LYS 38 HA LYS 38 -1.790 -9.028 -1.937 266 1HB LYS 38 2HB LYS 38 -3.217 -10.169 -0.326 267 2HB LYS 38 1HB LYS 38 -2.400 -11.334 -1.360 268 1HG LYS 38 2HG LYS 38 -1.204 -10.622 1.276 269 2HG LYS 38 1HG LYS 38 -2.571 -11.737 1.206 270 1HD LYS 38 2HD LYS 38 0.037 -12.053 -0.281 271 2HD LYS 38 1HD LYS 38 -0.424 -12.925 1.182 272 1HE LYS 38 2HE LYS 38 -1.598 -13.130 -1.574 273 2HE LYS 38 1HE LYS 38 -0.885 -14.403 -0.584 274 1HZ LYS 38 1HZ LYS 38 -3.252 -14.633 -0.576 275 2HZ LYS 38 2HZ LYS 38 -3.469 -13.025 -0.102 276 3HZ LYS 38 3HZ LYS 38 -2.765 -14.132 0.965 277 H VAL 39 H VAL 39 0.703 -8.032 -0.688 278 HA VAL 39 HA VAL 39 -0.027 -7.130 1.937 279 HB VAL 39 HB VAL 39 2.207 -6.091 0.200 280 1HG1 VAL 39 1HG1 VAL 39 2.341 -4.616 1.885 281 2HG1 VAL 39 2HG1 VAL 39 3.024 -5.957 2.805 282 3HG1 VAL 39 3HG1 VAL 39 1.306 -5.582 2.938 283 1HG2 VAL 39 1HG2 VAL 39 2.982 -7.942 2.290 284 2HG2 VAL 39 2HG2 VAL 39 3.390 -7.942 0.577 285 3HG2 VAL 39 3HG2 VAL 39 1.895 -8.692 1.122 286 H VAL 40 H VAL 40 -1.019 -5.288 2.506 287 HA VAL 40 HA VAL 40 -1.377 -3.198 0.472 288 HB VAL 40 HB VAL 40 -3.666 -3.974 2.252 289 1HG1 VAL 40 1HG1 VAL 40 -3.231 -2.253 -0.111 290 2HG1 VAL 40 2HG1 VAL 40 -4.286 -2.026 1.283 291 3HG1 VAL 40 3HG1 VAL 40 -4.769 -3.111 -0.021 292 1HG2 VAL 40 1HG2 VAL 40 -3.557 -6.012 1.240 293 2HG2 VAL 40 2HG2 VAL 40 -2.701 -5.392 -0.170 294 3HG2 VAL 40 3HG2 VAL 40 -4.438 -5.138 -0.014 295 H GLU 41 H GLU 41 -1.588 -1.109 1.244 296 HA GLU 41 HA GLU 41 -2.062 -0.368 3.893 297 1HB GLU 41 2HB GLU 41 0.743 -1.034 3.255 298 2HB GLU 41 1HB GLU 41 0.505 0.496 4.088 299 1HG GLU 41 2HG GLU 41 -1.069 -1.545 5.337 300 2HG GLU 41 1HG GLU 41 0.609 -2.071 5.201 301 H LEU 42 H LEU 42 0.654 1.253 2.403 302 HA LEU 42 HA LEU 42 0.872 3.322 1.479 303 1HB LEU 42 2HB LEU 42 -1.859 2.835 0.298 304 2HB LEU 42 1HB LEU 42 -0.609 3.899 -0.317 305 HG LEU 42 HG LEU 42 0.753 1.626 -0.473 306 1HD1 LEU 42 1HD1 LEU 42 -0.466 -0.155 0.032 307 2HD1 LEU 42 2HD1 LEU 42 -1.356 0.142 -1.460 308 3HD1 LEU 42 3HD1 LEU 42 -1.962 0.780 0.069 309 1HD2 LEU 42 1HD2 LEU 42 0.073 3.256 -2.283 310 2HD2 LEU 42 2HD2 LEU 42 -1.356 2.250 -2.521 311 3HD2 LEU 42 3HD2 LEU 42 0.252 1.573 -2.779 312 H GLY 43 H GLY 43 0.110 5.573 1.573 313 1HA GLY 43 2HA GLY 43 -2.092 6.734 2.414 314 2HA GLY 43 1HA GLY 43 -1.619 5.947 3.912 315 H CYS 44 H CYS 44 0.146 7.842 1.411 316 HA CYS 44 HA CYS 44 1.567 9.613 1.628 317 1HB CYS 44 2HB CYS 44 -0.790 10.239 3.023 318 2HB CYS 44 1HB CYS 44 0.538 10.806 4.036 319 H ALA 45 H ALA 45 3.275 10.608 2.815 320 HA ALA 45 HA ALA 45 4.065 9.366 5.324 321 1HB ALA 45 1HB ALA 45 5.514 8.912 2.744 322 2HB ALA 45 2HB ALA 45 5.047 7.745 3.979 323 3HB ALA 45 3HB ALA 45 6.369 8.872 4.286 324 H ALA 46 H ALA 46 4.843 11.611 2.711 325 HA ALA 46 HA ALA 46 5.508 13.801 2.819 326 1HB ALA 46 1HB ALA 46 5.397 15.000 4.750 327 2HB ALA 46 2HB ALA 46 6.164 13.737 5.712 328 3HB ALA 46 3HB ALA 46 4.468 13.588 5.252 329 H THR 47 H THR 47 7.186 11.694 2.153 330 HA THR 47 HA THR 47 9.732 12.947 2.424 331 HB THR 47 HB THR 47 9.775 11.863 4.571 332 HG1 THR 47 1HG THR 47 11.715 11.713 3.448 333 1HG2 THR 47 1HG2 THR 47 8.046 10.074 3.819 334 2HG2 THR 47 2HG2 THR 47 9.253 9.684 5.046 335 3HG2 THR 47 3HG2 THR 47 9.483 9.150 3.381 336 H CYS 48 H CYS 48 9.216 12.851 0.121 337 HA CYS 48 HA CYS 48 9.046 10.370 -1.245 338 1HB CYS 48 2HB CYS 48 8.166 12.451 -2.207 339 2HB CYS 48 1HB CYS 48 9.791 13.112 -2.293 340 HA PRO 49 HA PRO 49 13.715 11.027 -2.228 341 1HB PRO 49 2HB PRO 49 15.119 12.646 -0.558 342 2HB PRO 49 1HB PRO 49 14.364 13.236 -2.044 343 1HG PRO 49 2HG PRO 49 13.403 13.436 0.780 344 2HG PRO 49 1HG PRO 49 13.359 14.653 -0.508 345 1HD PRO 49 2HD PRO 49 11.198 13.169 0.201 346 2HD PRO 49 1HD PRO 49 11.453 13.772 -1.447 347 H SER 50 H SER 50 12.539 9.167 -0.843 348 HA SER 50 HA SER 50 14.100 8.690 1.589 349 1HB SER 50 2HB SER 50 11.668 8.789 1.903 350 2HB SER 50 1HB SER 50 11.446 7.533 0.687 351 HG SER 50 HG SER 50 12.660 7.306 3.237 352 H LYS 51 H LYS 51 12.474 5.960 0.357 353 HA LYS 51 HA LYS 51 13.356 3.898 -0.141 354 1HB LYS 51 2HB LYS 51 14.375 3.940 -2.472 355 2HB LYS 51 1HB LYS 51 12.753 4.595 -2.304 356 1HG LYS 51 2HG LYS 51 13.469 6.782 -2.591 357 2HG LYS 51 1HG LYS 51 15.140 6.391 -2.183 358 1HD LYS 51 2HD LYS 51 15.194 4.988 -4.282 359 2HD LYS 51 1HD LYS 51 13.645 5.719 -4.707 360 1HE LYS 51 2HE LYS 51 14.671 7.528 -5.486 361 2HE LYS 51 1HE LYS 51 15.478 7.774 -3.938 362 1HZ LYS 51 1HZ LYS 51 17.345 7.345 -5.041 363 2HZ LYS 51 2HZ LYS 51 16.528 6.741 -6.393 364 3HZ LYS 51 3HZ LYS 51 16.861 5.725 -5.083 365 H LYS 52 H LYS 52 14.878 3.850 1.668 366 HA LYS 52 HA LYS 52 17.671 4.224 0.834 367 1HB LYS 52 2HB LYS 52 16.978 3.614 3.672 368 2HB LYS 52 1HB LYS 52 18.280 4.594 3.022 369 1HG LYS 52 2HG LYS 52 17.042 6.305 3.760 370 2HG LYS 52 1HG LYS 52 16.139 6.059 2.265 371 1HD LYS 52 2HD LYS 52 14.638 6.238 4.181 372 2HD LYS 52 1HD LYS 52 14.549 4.633 3.455 373 1HE LYS 52 2HE LYS 52 15.739 3.646 5.211 374 2HE LYS 52 1HE LYS 52 16.373 5.194 5.770 375 1HZ LYS 52 1HZ LYS 52 13.480 4.582 5.846 376 2HZ LYS 52 2HZ LYS 52 14.326 5.773 6.698 377 3HZ LYS 52 3HZ LYS 52 14.513 4.143 7.112 378 HA PRO 53 HA PRO 53 17.634 -0.281 2.244 379 1HB PRO 53 2HB PRO 53 15.432 -1.166 3.698 380 2HB PRO 53 1HB PRO 53 16.920 -0.520 4.390 381 1HG PRO 53 2HG PRO 53 14.336 0.642 4.501 382 2HG PRO 53 1HG PRO 53 15.857 1.365 5.041 383 1HD PRO 53 2HD PRO 53 14.372 1.756 2.490 384 2HD PRO 53 1HD PRO 53 15.395 2.893 3.388 385 H TYR 54 H TYR 54 16.643 -2.448 1.723 386 HA TYR 54 HA TYR 54 15.213 -2.261 -0.766 387 1HB TYR 54 2HB TYR 54 15.177 -4.950 0.092 388 2HB TYR 54 1HB TYR 54 16.314 -4.202 -1.033 389 HD1 TYR 54 1HD TYR 54 15.764 -5.235 2.437 390 HD2 TYR 54 2HD TYR 54 18.508 -3.542 -0.327 391 HE1 TYR 54 1HE TYR 54 17.556 -5.473 4.087 392 HE2 TYR 54 2HE TYR 54 20.318 -3.783 1.302 393 HH TYR 54 HH TYR 54 20.016 -5.656 4.128 394 H GLU 55 H GLU 55 13.358 -1.076 0.271 395 HA GLU 55 HA GLU 55 11.447 -2.917 1.537 396 1HB GLU 55 2HB GLU 55 10.908 0.004 1.341 397 2HB GLU 55 1HB GLU 55 10.450 -1.137 2.595 398 1HG GLU 55 2HG GLU 55 12.673 -1.127 3.498 399 2HG GLU 55 1HG GLU 55 13.260 -0.146 2.155 400 H GLU 56 H GLU 56 9.234 -1.068 0.906 401 HA GLU 56 HA GLU 56 8.958 -1.407 -1.982 402 1HB GLU 56 2HB GLU 56 6.839 -2.510 -1.753 403 2HB GLU 56 1HB GLU 56 8.032 -3.399 -0.816 404 1HG GLU 56 2HG GLU 56 6.169 -1.379 0.396 405 2HG GLU 56 1HG GLU 56 5.785 -3.095 0.266 406 H VAL 57 H VAL 57 9.121 0.803 0.211 407 HA VAL 57 HA VAL 57 6.594 2.178 -0.268 408 HB VAL 57 HB VAL 57 7.361 3.837 1.335 409 1HG1 VAL 57 1HG1 VAL 57 6.339 2.350 2.662 410 2HG1 VAL 57 2HG1 VAL 57 7.970 1.958 3.207 411 3HG1 VAL 57 3HG1 VAL 57 7.198 0.982 1.957 412 1HG2 VAL 57 1HG2 VAL 57 9.947 2.371 1.067 413 2HG2 VAL 57 2HG2 VAL 57 9.552 3.156 2.597 414 3HG2 VAL 57 3HG2 VAL 57 9.636 4.107 1.114 415 H THR 58 H THR 58 6.356 3.972 -1.497 416 HA THR 58 HA THR 58 8.627 5.442 -2.486 417 HB THR 58 HB THR 58 6.854 3.902 -4.389 418 HG1 THR 58 1HG THR 58 8.420 2.570 -3.525 419 1HG2 THR 58 1HG2 THR 58 9.086 4.879 -5.733 420 2HG2 THR 58 2HG2 THR 58 8.454 6.241 -4.806 421 3HG2 THR 58 3HG2 THR 58 7.406 5.377 -5.931 422 H CYS 59 H CYS 59 8.079 7.522 -2.641 423 HA CYS 59 HA CYS 59 5.706 8.628 -1.899 424 1HB CYS 59 2HB CYS 59 6.457 10.531 -3.650 425 2HB CYS 59 1HB CYS 59 7.232 10.303 -2.085 426 H CYS 60 H CYS 60 3.734 8.999 -2.749 427 HA CYS 60 HA CYS 60 3.301 8.128 -5.527 428 1HB CYS 60 2HB CYS 60 2.013 7.405 -3.040 429 2HB CYS 60 1HB CYS 60 0.833 8.020 -4.191 430 H SER 61 H SER 61 0.809 9.683 -3.628 431 HA SER 61 HA SER 61 -0.338 11.621 -3.862 432 1HB SER 61 2HB SER 61 1.438 12.989 -3.314 433 2HB SER 61 1HB SER 61 2.416 12.450 -4.681 434 HG SER 61 HG SER 61 1.687 14.105 -5.731 435 H THR 62 H THR 62 1.700 11.932 -6.750 436 HA THR 62 HA THR 62 -0.146 12.864 -8.502 437 HB THR 62 HB THR 62 2.236 12.623 -9.027 438 HG1 THR 62 1HG THR 62 0.544 11.313 -10.889 439 1HG2 THR 62 1HG2 THR 62 2.364 10.065 -10.166 440 2HG2 THR 62 2HG2 THR 62 1.767 9.854 -8.518 441 3HG2 THR 62 3HG2 THR 62 3.289 10.698 -8.805 442 H ASP 63 H ASP 63 -1.824 12.155 -9.656 443 HA ASP 63 HA ASP 63 -3.554 10.845 -10.327 444 1HB ASP 63 2HB ASP 63 -1.162 9.564 -11.102 445 2HB ASP 63 1HB ASP 63 -2.232 8.296 -10.513 446 H LYS 64 H LYS 64 -4.728 8.685 -9.898 447 HA LYS 64 HA LYS 64 -5.292 8.553 -7.125 448 1HB LYS 64 2HB LYS 64 -6.080 6.427 -9.107 449 2HB LYS 64 1HB LYS 64 -6.955 6.974 -7.680 450 1HG LYS 64 2HG LYS 64 -8.040 8.538 -8.831 451 2HG LYS 64 1HG LYS 64 -6.563 9.117 -9.594 452 1HD LYS 64 2HD LYS 64 -7.422 8.290 -11.489 453 2HD LYS 64 1HD LYS 64 -6.975 6.710 -10.845 454 1HE LYS 64 2HE LYS 64 -9.372 7.129 -9.630 455 2HE LYS 64 1HE LYS 64 -9.620 7.942 -11.175 456 1HZ LYS 64 1HZ LYS 64 -9.364 5.995 -12.343 457 2HZ LYS 64 2HZ LYS 64 -10.140 5.434 -10.949 458 3HZ LYS 64 3HZ LYS 64 -8.469 5.234 -11.124 459 H CYS 65 H CYS 65 -3.267 8.072 -6.171 460 HA CYS 65 HA CYS 65 -2.079 5.480 -6.755 461 1HB CYS 65 2HB CYS 65 -1.059 7.967 -5.970 462 2HB CYS 65 1HB CYS 65 -0.814 6.906 -4.587 463 H ASN 66 H ASN 66 -4.693 5.994 -5.140 464 HA ASN 66 HA ASN 66 -4.307 5.325 -2.473 465 1HB ASN 66 2HB ASN 66 -6.612 4.067 -2.839 466 2HB ASN 66 1HB ASN 66 -6.514 5.820 -2.831 467 1HD2 ASN 66 1HD2 ASN 66 -7.215 6.897 -4.541 468 2HD2 ASN 66 2HD2 ASN 66 -7.678 6.192 -6.048 469 HA PRO 67 HA PRO 67 -3.011 1.165 -1.945 470 1HB PRO 67 2HB PRO 67 -5.653 0.547 -0.710 471 2HB PRO 67 1HB PRO 67 -4.026 0.262 -0.085 472 1HG PRO 67 2HG PRO 67 -5.516 2.256 0.861 473 2HG PRO 67 1HG PRO 67 -3.770 2.453 0.625 474 1HD PRO 67 2HD PRO 67 -6.033 3.504 -1.004 475 2HD PRO 67 1HD PRO 67 -4.452 4.233 -0.663 476 H HIS 68 H HIS 68 -2.896 -0.307 -3.512 477 HA HIS 68 HA HIS 68 -5.387 -1.344 -4.674 478 1HB HIS 68 2HB HIS 68 -3.064 -0.117 -6.089 479 2HB HIS 68 1HB HIS 68 -3.885 -1.473 -6.854 480 HD1 HIS 68 1HD HIS 68 -6.793 -0.839 -6.260 481 HD2 HIS 68 2HD HIS 68 -4.024 2.029 -7.433 482 HE1 HIS 68 1HE HIS 68 -8.145 1.036 -7.250 483 HE2 HIS 68 2HE HIS 68 -6.442 2.716 -8.040 484 HA PRO 69 HA PRO 69 -3.179 -5.000 -3.050 485 1HB PRO 69 2HB PRO 69 -5.603 -6.171 -4.343 486 2HB PRO 69 1HB PRO 69 -4.882 -6.533 -2.770 487 1HG PRO 69 2HG PRO 69 -7.074 -5.037 -2.939 488 2HG PRO 69 1HG PRO 69 -5.797 -4.650 -1.769 489 1HD PRO 69 2HD PRO 69 -6.486 -3.308 -4.338 490 2HD PRO 69 1HD PRO 69 -5.845 -2.614 -2.837 491 H LYS 70 H LYS 70 -2.432 -7.005 -4.069 492 HA LYS 70 HA LYS 70 -2.081 -6.675 -6.975 493 1HB LYS 70 2HB LYS 70 -0.005 -8.236 -6.397 494 2HB LYS 70 1HB LYS 70 0.084 -6.485 -6.284 495 1HG LYS 70 2HG LYS 70 -0.507 -6.738 -3.841 496 2HG LYS 70 1HG LYS 70 -0.240 -8.470 -4.052 497 1HD LYS 70 2HD LYS 70 1.783 -6.302 -4.611 498 2HD LYS 70 1HD LYS 70 1.750 -7.323 -3.173 499 1HE LYS 70 2HE LYS 70 2.270 -9.256 -4.405 500 2HE LYS 70 1HE LYS 70 1.893 -8.478 -5.941 501 1HZ LYS 70 1HZ LYS 70 3.867 -6.923 -4.919 502 2HZ LYS 70 2HZ LYS 70 4.076 -8.135 -6.079 503 3HZ LYS 70 3HZ LYS 70 4.343 -8.477 -4.445 504 H GLN 71 H GLN 71 -2.876 -8.875 -4.385 505 HA GLN 71 HA GLN 71 -2.762 -11.300 -5.780 506 1HB GLN 71 2HB GLN 71 -4.227 -12.186 -4.059 507 2HB GLN 71 1HB GLN 71 -3.020 -11.136 -3.335 508 1HG GLN 71 2HG GLN 71 -4.739 -9.311 -3.351 509 2HG GLN 71 1HG GLN 71 -5.920 -10.532 -3.825 510 1HE2 GLN 71 1HE2 GLN 71 -5.036 -12.668 -2.299 511 2HE2 GLN 71 2HE2 GLN 71 -5.292 -12.310 -0.629 512 H ARG 72 H ARG 72 -4.883 -8.662 -6.152 513 HA ARG 72 HA ARG 72 -7.024 -8.462 -6.997 514 1HB ARG 72 2HB ARG 72 -5.128 -9.458 -9.056 515 2HB ARG 72 1HB ARG 72 -6.821 -9.300 -9.508 516 1HG ARG 72 2HG ARG 72 -6.768 -7.042 -9.438 517 2HG ARG 72 1HG ARG 72 -5.597 -7.000 -8.118 518 1HD ARG 72 2HD ARG 72 -4.962 -7.728 -10.974 519 2HD ARG 72 1HD ARG 72 -4.682 -6.145 -10.250 520 HE ARG 72 HE ARG 72 -3.347 -7.799 -8.593 521 1HH1 ARG 72 1HH1 ARG 72 -3.335 -7.424 -12.064 522 2HH1 ARG 72 2HH1 ARG 72 -1.685 -7.920 -12.237 523 1HH2 ARG 72 1HH2 ARG 72 -1.176 -8.451 -8.820 524 2HH2 ARG 72 2HH2 ARG 72 -0.459 -8.503 -10.396 525 HA PRO 73 HA PRO 73 -9.054 -12.510 -8.425 526 1HB PRO 73 2HB PRO 73 -7.453 -14.661 -9.018 527 2HB PRO 73 1HB PRO 73 -8.034 -13.502 -10.217 528 1HG PRO 73 2HG PRO 73 -5.385 -13.630 -8.835 529 2HG PRO 73 1HG PRO 73 -5.747 -13.286 -10.537 530 1HD PRO 73 2HD PRO 73 -5.158 -11.328 -8.803 531 2HD PRO 73 1HD PRO 73 -6.352 -11.095 -10.096 532 H GLY 74 H GLY 74 -9.192 -14.917 -7.553 533 1HA GLY 74 2HA GLY 74 -9.308 -16.259 -5.694 534 2HA GLY 74 1HA GLY 74 -7.670 -15.715 -5.340 535 1H TYR 181 1HT TYR 181 -6.241 -20.284 23.103 536 2H TYR 181 2HT TYR 181 -6.945 -18.864 22.447 537 3H TYR 181 3HT TYR 181 -7.524 -19.503 23.930 538 HA TYR 181 HA TYR 181 -6.198 -17.620 24.354 539 1HB TYR 181 2HB TYR 181 -4.400 -18.806 25.734 540 2HB TYR 181 1HB TYR 181 -6.071 -19.260 26.045 541 HD1 TYR 181 1HD TYR 181 -3.306 -20.312 23.748 542 HD2 TYR 181 2HD TYR 181 -6.454 -21.504 26.348 543 HE1 TYR 181 1HE TYR 181 -2.734 -22.671 23.349 544 HE2 TYR 181 2HE TYR 181 -5.891 -23.865 25.958 545 HH TYR 181 HH TYR 181 -3.011 -24.849 24.479 546 H ARG 182 H ARG 182 -5.019 -19.550 21.823 547 HA ARG 182 HA ARG 182 -2.525 -17.998 21.683 548 1HB ARG 182 2HB ARG 182 -3.298 -20.722 20.736 549 2HB ARG 182 1HB ARG 182 -2.076 -19.837 19.833 550 1HG ARG 182 2HG ARG 182 -1.663 -19.872 22.735 551 2HG ARG 182 1HG ARG 182 -1.576 -21.451 21.952 552 1HD ARG 182 2HD ARG 182 0.037 -18.991 21.301 553 2HD ARG 182 1HD ARG 182 0.625 -20.504 21.990 554 HE ARG 182 HE ARG 182 0.215 -19.928 19.235 555 1HH1 ARG 182 1HH1 ARG 182 0.053 -22.501 21.588 556 2HH1 ARG 182 2HH1 ARG 182 0.325 -23.753 20.423 557 1HH2 ARG 182 1HH2 ARG 182 0.575 -21.574 17.701 558 2HH2 ARG 182 2HH2 ARG 182 0.622 -23.227 18.217 559 H GLY 183 H GLY 183 -4.258 -16.317 20.975 560 1HA GLY 183 2HA GLY 183 -5.485 -16.456 18.465 561 2HA GLY 183 1HA GLY 183 -5.044 -14.970 19.292 562 H TRP 184 H TRP 184 -4.533 -16.822 16.577 563 HA TRP 184 HA TRP 184 -1.815 -16.475 16.021 564 1HB TRP 184 2HB TRP 184 -2.523 -16.682 13.612 565 2HB TRP 184 1HB TRP 184 -3.097 -17.971 14.665 566 HD1 TRP 184 HD TRP 184 -4.342 -15.014 12.598 567 HE1 TRP 184 1HE TRP 184 -6.901 -15.184 12.368 568 HE3 TRP 184 3HE TRP 184 -5.197 -18.867 15.848 569 HZ2 TRP 184 2HZ TRP 184 -9.002 -16.745 13.425 570 HZ3 TRP 184 3HZ TRP 184 -7.509 -19.639 16.183 571 HH2 TRP 184 HH TRP 184 -9.373 -18.597 14.996 572 H LYS 185 H LYS 185 -0.614 -14.811 15.305 573 HA LYS 185 HA LYS 185 -1.496 -12.174 15.559 574 1HB LYS 185 2HB LYS 185 0.899 -13.065 15.582 575 2HB LYS 185 1HB LYS 185 0.823 -13.009 13.825 576 1HG LYS 185 2HG LYS 185 0.224 -10.569 14.050 577 2HG LYS 185 1HG LYS 185 0.648 -10.716 15.757 578 1HD LYS 185 2HD LYS 185 2.903 -11.311 15.215 579 2HD LYS 185 1HD LYS 185 2.510 -11.441 13.500 580 1HE LYS 185 2HE LYS 185 3.655 -9.361 13.892 581 2HE LYS 185 1HE LYS 185 1.974 -9.028 13.481 582 1HZ LYS 185 1HZ LYS 185 2.899 -7.726 15.392 583 2HZ LYS 185 2HZ LYS 185 2.949 -9.168 16.277 584 3HZ LYS 185 3HZ LYS 185 1.468 -8.564 15.726 585 H HIS 186 H HIS 186 -2.488 -10.784 14.232 586 HA HIS 186 HA HIS 186 -3.409 -11.746 11.663 587 1HB HIS 186 2HB HIS 186 -3.934 -9.144 13.117 588 2HB HIS 186 1HB HIS 186 -4.716 -9.637 11.616 589 HD1 HIS 186 1HD HIS 186 -6.377 -11.681 11.781 590 HD2 HIS 186 2HD HIS 186 -5.010 -10.213 15.420 591 HE1 HIS 186 1HE HIS 186 -7.915 -12.651 13.518 592 HE2 HIS 186 2HE HIS 186 -7.118 -11.684 15.704 593 H TRP 187 H TRP 187 -1.807 -11.725 10.171 594 HA TRP 187 HA TRP 187 0.302 -9.990 9.911 595 1HB TRP 187 2HB TRP 187 0.009 -10.552 7.359 596 2HB TRP 187 1HB TRP 187 0.475 -11.803 8.506 597 HD1 TRP 187 HD TRP 187 -2.840 -10.477 6.954 598 HE1 TRP 187 1HE TRP 187 -4.366 -12.506 6.529 599 HE3 TRP 187 3HE TRP 187 0.156 -14.159 8.851 600 HZ2 TRP 187 2HZ TRP 187 -4.308 -15.298 6.943 601 HZ3 TRP 187 3HZ TRP 187 -0.652 -16.483 8.800 602 HH2 TRP 187 HH TRP 187 -2.839 -17.040 7.866 603 H VAL 188 H VAL 188 0.718 -8.262 8.375 604 HA VAL 188 HA VAL 188 -1.515 -6.398 8.283 605 HB VAL 188 HB VAL 188 0.417 -5.445 9.240 606 1HG1 VAL 188 1HG1 VAL 188 2.270 -6.672 8.824 607 2HG1 VAL 188 2HG1 VAL 188 2.540 -5.431 7.599 608 3HG1 VAL 188 3HG1 VAL 188 1.824 -6.978 7.145 609 1HG2 VAL 188 1HG2 VAL 188 -0.752 -4.056 7.531 610 2HG2 VAL 188 2HG2 VAL 188 0.487 -4.535 6.370 611 3HG2 VAL 188 3HG2 VAL 188 0.932 -3.606 7.802 612 H TYR 189 H TYR 189 0.342 -8.411 6.173 613 HA TYR 189 HA TYR 189 -0.190 -6.894 3.801 614 1HB TYR 189 2HB TYR 189 0.735 -8.919 2.641 615 2HB TYR 189 1HB TYR 189 1.814 -8.187 3.825 616 HD1 TYR 189 1HD TYR 189 2.277 -9.330 5.949 617 HD2 TYR 189 2HD TYR 189 -0.130 -11.149 2.948 618 HE1 TYR 189 1HE TYR 189 2.561 -11.509 7.049 619 HE2 TYR 189 2HE TYR 189 0.143 -13.332 4.045 620 HH TYR 189 HH TYR 189 0.696 -14.255 6.203 621 H TYR 190 H TYR 190 -2.545 -6.783 4.238 622 HA TYR 190 HA TYR 190 -3.911 -8.733 2.630 623 1HB TYR 190 2HB TYR 190 -3.830 -9.132 5.433 624 2HB TYR 190 1HB TYR 190 -5.458 -8.584 5.043 625 HD1 TYR 190 1HD TYR 190 -6.508 -10.658 5.626 626 HD2 TYR 190 2HD TYR 190 -3.431 -10.580 2.689 627 HE1 TYR 190 1HE TYR 190 -7.105 -12.943 4.945 628 HE2 TYR 190 2HE TYR 190 -4.020 -12.861 2.000 629 HH TYR 190 HH TYR 190 -5.460 -14.951 3.603 630 H THR 191 H THR 191 -5.311 -7.636 1.435 631 HA THR 191 HA THR 191 -5.874 -5.050 1.289 632 HB THR 191 HB THR 191 -6.937 -6.332 -0.333 633 HG1 THR 191 1HG THR 191 -8.752 -5.303 -0.336 634 1HG2 THR 191 1HG2 THR 191 -7.028 -8.421 1.069 635 2HG2 THR 191 2HG2 THR 191 -8.386 -8.159 -0.026 636 3HG2 THR 191 3HG2 THR 191 -8.564 -7.824 1.696 637 H CYS 192 H CYS 192 -7.227 -3.486 2.159 638 HA CYS 192 HA CYS 192 -7.647 -3.500 4.899 639 1HB CYS 192 2HB CYS 192 -8.219 -1.353 4.589 640 2HB CYS 192 1HB CYS 192 -7.919 -1.626 2.884 641 H CYS 193 H CYS 193 -10.119 -3.608 2.420 642 HA CYS 193 HA CYS 193 -11.746 -5.427 3.968 643 1HB CYS 193 2HB CYS 193 -13.213 -2.953 3.459 644 2HB CYS 193 1HB CYS 193 -13.081 -3.889 4.941 645 HA PRO 194 HA PRO 194 -13.549 -6.107 -0.036 646 1HB PRO 194 2HB PRO 194 -15.912 -7.185 0.575 647 2HB PRO 194 1HB PRO 194 -14.405 -7.998 1.017 648 1HG PRO 194 2HG PRO 194 -16.232 -6.344 2.715 649 2HG PRO 194 1HG PRO 194 -15.418 -7.870 3.107 650 1HD PRO 194 2HD PRO 194 -14.509 -5.377 3.861 651 2HD PRO 194 1HD PRO 194 -13.481 -6.814 3.703 652 H ASP 195 H ASP 195 -14.459 -4.798 -1.515 653 HA ASP 195 HA ASP 195 -15.813 -2.428 -0.822 654 1HB ASP 195 2HB ASP 195 -16.244 -2.214 -3.262 655 2HB ASP 195 1HB ASP 195 -14.560 -2.577 -2.888 656 H THR 196 H THR 196 -17.527 -3.232 0.554 657 HA THR 196 HA THR 196 -19.798 -4.289 -1.013 658 HB THR 196 HB THR 196 -20.513 -4.961 1.493 659 HG1 THR 196 1HG THR 196 -18.528 -4.168 2.357 660 1HG2 THR 196 1HG2 THR 196 -18.685 -6.543 -0.292 661 2HG2 THR 196 2HG2 THR 196 -20.448 -6.580 -0.258 662 3HG2 THR 196 3HG2 THR 196 -19.526 -7.197 1.113 663 HA PRO 197 HA PRO 197 -21.335 -0.565 1.599 664 1HB PRO 197 2HB PRO 197 -20.171 1.703 0.727 665 2HB PRO 197 1HB PRO 197 -19.493 0.781 2.076 666 1HG PRO 197 2HG PRO 197 -18.651 0.840 -0.793 667 2HG PRO 197 1HG PRO 197 -17.651 0.836 0.670 668 1HD PRO 197 2HD PRO 197 -18.142 -1.393 -0.837 669 2HD PRO 197 1HD PRO 197 -17.776 -1.438 0.898 670 H TYR 198 H TYR 198 -21.266 -1.918 -1.118 671 HA TYR 198 HA TYR 198 -22.261 -0.064 -3.034 672 1HB TYR 198 2HB TYR 198 -20.906 -2.328 -3.246 673 2HB TYR 198 1HB TYR 198 -22.519 -3.044 -3.260 674 HD1 TYR 198 1HD TYR 198 -23.992 -0.920 -4.789 675 HD2 TYR 198 2HD TYR 198 -20.177 -2.684 -5.448 676 HE1 TYR 198 1HE TYR 198 -24.180 -0.416 -7.187 677 HE2 TYR 198 2HE TYR 198 -20.354 -2.184 -7.849 678 HH TYR 198 HH TYR 198 -21.637 -0.446 -9.279 Start of MODEL 5 1 1H ILE 1 1HT ILE 1 -4.620 14.629 -7.727 2 2H ILE 1 2HT ILE 1 -3.369 15.769 -8.008 3 3H ILE 1 3HT ILE 1 -4.538 16.058 -6.784 4 HA ILE 1 HA ILE 1 -2.740 13.743 -6.780 5 HB ILE 1 HB ILE 1 -1.550 15.098 -4.947 6 1HG1 ILE 1 2HG1 ILE 1 -3.339 16.944 -5.102 7 2HG1 ILE 1 1HG1 ILE 1 -1.657 17.445 -4.985 8 1HG2 ILE 1 1HG2 ILE 1 -0.484 14.432 -7.010 9 2HG2 ILE 1 2HG2 ILE 1 -0.004 16.075 -6.589 10 3HG2 ILE 1 3HG2 ILE 1 -1.200 15.804 -7.855 11 1HD1 ILE 1 1HD1 ILE 1 -3.535 17.626 -7.287 12 2HD1 ILE 1 2HD1 ILE 1 -1.803 17.515 -7.592 13 3HD1 ILE 1 3HD1 ILE 1 -2.443 18.838 -6.621 14 H VAL 2 H VAL 2 -5.202 13.181 -6.214 15 HA VAL 2 HA VAL 2 -5.672 13.629 -3.356 16 HB VAL 2 HB VAL 2 -7.878 12.443 -3.860 17 1HG1 VAL 2 1HG1 VAL 2 -7.566 14.986 -5.407 18 2HG1 VAL 2 2HG1 VAL 2 -7.420 14.954 -3.651 19 3HG1 VAL 2 3HG1 VAL 2 -8.923 14.445 -4.421 20 1HG2 VAL 2 1HG2 VAL 2 -7.143 11.434 -5.989 21 2HG2 VAL 2 2HG2 VAL 2 -7.086 13.047 -6.703 22 3HG2 VAL 2 3HG2 VAL 2 -8.622 12.381 -6.151 23 H CYS 3 H CYS 3 -7.064 11.412 -2.607 24 HA CYS 3 HA CYS 3 -5.466 9.073 -3.294 25 1HB CYS 3 2HB CYS 3 -4.826 10.621 -1.057 26 2HB CYS 3 1HB CYS 3 -5.714 9.241 -0.408 27 H HIS 4 H HIS 4 -7.418 8.200 -4.127 28 HA HIS 4 HA HIS 4 -9.831 8.055 -2.717 29 1HB HIS 4 2HB HIS 4 -10.328 6.076 -4.204 30 2HB HIS 4 1HB HIS 4 -9.876 7.554 -5.049 31 HD1 HIS 4 1HD HIS 4 -8.122 7.291 -6.774 32 HD2 HIS 4 2HD HIS 4 -8.013 4.220 -3.976 33 HE1 HIS 4 1HE HIS 4 -6.412 5.661 -7.630 34 HE2 HIS 4 2HE HIS 4 -6.462 3.752 -5.991 35 H THR 5 H THR 5 -10.465 6.925 -1.015 36 HA THR 5 HA THR 5 -8.809 5.557 0.664 37 HB THR 5 HB THR 5 -10.875 4.606 1.653 38 HG1 THR 5 1HG THR 5 -12.190 5.819 -0.548 39 1HG2 THR 5 1HG2 THR 5 -10.225 7.283 1.436 40 2HG2 THR 5 2HG2 THR 5 -11.381 6.569 2.558 41 3HG2 THR 5 3HG2 THR 5 -11.936 7.219 1.015 42 H THR 6 H THR 6 -11.323 3.766 -1.102 43 HA THR 6 HA THR 6 -11.396 1.615 -1.847 44 HB THR 6 HB THR 6 -9.599 0.973 -3.366 45 HG1 THR 6 1HG THR 6 -7.666 1.833 -3.273 46 1HG2 THR 6 1HG2 THR 6 -9.617 2.805 -4.892 47 2HG2 THR 6 2HG2 THR 6 -10.031 3.938 -3.605 48 3HG2 THR 6 3HG2 THR 6 -11.197 2.716 -4.115 49 H ALA 7 H ALA 7 -10.278 2.079 0.910 50 HA ALA 7 HA ALA 7 -8.864 -0.495 1.183 51 1HB ALA 7 1HB ALA 7 -8.560 1.539 3.316 52 2HB ALA 7 2HB ALA 7 -7.734 1.852 1.790 53 3HB ALA 7 3HB ALA 7 -7.398 0.371 2.688 54 H THR 8 H THR 8 -9.031 -0.579 4.030 55 HA THR 8 HA THR 8 -11.415 -1.889 4.460 56 HB THR 8 HB THR 8 -9.727 -2.178 6.086 57 HG1 THR 8 1HG THR 8 -10.833 -1.832 7.939 58 1HG2 THR 8 1HG2 THR 8 -8.384 -0.273 5.979 59 2HG2 THR 8 2HG2 THR 8 -9.063 -0.257 7.606 60 3HG2 THR 8 3HG2 THR 8 -9.727 0.803 6.363 61 H SER 9 H SER 9 -13.248 -0.900 3.729 62 HA SER 9 HA SER 9 -15.115 0.407 3.843 63 1HB SER 9 2HB SER 9 -13.986 1.869 6.222 64 2HB SER 9 1HB SER 9 -15.672 1.529 5.834 65 HG SER 9 HG SER 9 -13.861 0.019 7.201 66 HA PRO 10 HA PRO 10 -12.664 3.803 1.924 67 1HB PRO 10 2HB PRO 10 -13.167 3.312 -0.627 68 2HB PRO 10 1HB PRO 10 -12.089 2.239 0.269 69 1HG PRO 10 2HG PRO 10 -14.999 1.886 -0.355 70 2HG PRO 10 1HG PRO 10 -13.667 0.736 -0.584 71 1HD PRO 10 2HD PRO 10 -15.323 0.723 1.604 72 2HD PRO 10 1HD PRO 10 -13.652 0.125 1.634 73 H ILE 11 H ILE 11 -14.259 4.450 -0.650 74 HA ILE 11 HA ILE 11 -15.963 5.798 -1.312 75 HB ILE 11 HB ILE 11 -17.151 4.010 0.364 76 1HG1 ILE 11 2HG1 ILE 11 -18.450 6.292 -1.128 77 2HG1 ILE 11 1HG1 ILE 11 -17.953 4.753 -1.824 78 1HG2 ILE 11 1HG2 ILE 11 -18.328 6.604 1.267 79 2HG2 ILE 11 2HG2 ILE 11 -16.972 5.896 2.140 80 3HG2 ILE 11 3HG2 ILE 11 -18.479 4.999 1.979 81 1HD1 ILE 11 1HD1 ILE 11 -19.658 3.584 -0.754 82 2HD1 ILE 11 2HD1 ILE 11 -20.423 5.088 -1.267 83 3HD1 ILE 11 3HD1 ILE 11 -19.936 4.876 0.415 84 H SER 12 H SER 12 -13.971 6.494 1.113 85 HA SER 12 HA SER 12 -15.258 8.764 2.285 86 1HB SER 12 2HB SER 12 -13.142 7.229 3.038 87 2HB SER 12 1HB SER 12 -12.316 8.662 2.424 88 HG SER 12 HG SER 12 -13.278 8.442 4.768 89 H ALA 13 H ALA 13 -13.327 10.715 2.317 90 HA ALA 13 HA ALA 13 -13.762 11.924 -0.265 91 1HB ALA 13 1HB ALA 13 -14.121 13.410 1.486 92 2HB ALA 13 2HB ALA 13 -12.529 13.867 0.881 93 3HB ALA 13 3HB ALA 13 -12.670 12.897 2.347 94 H VAL 14 H VAL 14 -12.441 10.860 -1.725 95 HA VAL 14 HA VAL 14 -9.754 10.212 -1.421 96 HB VAL 14 HB VAL 14 -10.956 9.276 -3.244 97 1HG1 VAL 14 1HG1 VAL 14 -12.684 10.508 -3.946 98 2HG1 VAL 14 2HG1 VAL 14 -11.537 11.147 -5.123 99 3HG1 VAL 14 3HG1 VAL 14 -11.858 12.033 -3.632 100 1HG2 VAL 14 1HG2 VAL 14 -9.453 11.049 -4.991 101 2HG2 VAL 14 2HG2 VAL 14 -9.254 9.325 -4.687 102 3HG2 VAL 14 3HG2 VAL 14 -8.519 10.502 -3.600 103 H THR 15 H THR 15 -8.420 11.787 -0.607 104 HA THR 15 HA THR 15 -7.222 13.662 -2.199 105 HB THR 15 HB THR 15 -9.002 15.096 -2.462 106 HG1 THR 15 1HG THR 15 -8.129 16.004 0.068 107 1HG2 THR 15 1HG2 THR 15 -10.816 14.270 -1.372 108 2HG2 THR 15 2HG2 THR 15 -10.471 15.676 -0.365 109 3HG2 THR 15 3HG2 THR 15 -9.952 14.072 0.153 110 H CYS 16 H CYS 16 -5.312 13.764 -1.229 111 HA CYS 16 HA CYS 16 -5.228 13.990 1.709 112 1HB CYS 16 2HB CYS 16 -4.211 11.905 1.044 113 2HB CYS 16 1HB CYS 16 -3.249 12.712 -0.196 114 HA PRO 17 HA PRO 17 -3.681 18.134 1.523 115 1HB PRO 17 2HB PRO 17 -1.576 16.953 3.303 116 2HB PRO 17 1HB PRO 17 -2.450 18.483 3.463 117 1HG PRO 17 2HG PRO 17 -3.160 16.339 4.890 118 2HG PRO 17 1HG PRO 17 -4.372 17.460 4.246 119 1HD PRO 17 2HD PRO 17 -3.729 14.704 3.406 120 2HD PRO 17 1HD PRO 17 -5.225 15.630 3.186 121 HA PRO 18 HA PRO 18 -0.701 17.137 -1.816 122 1HB PRO 18 2HB PRO 18 -1.206 20.019 -2.332 123 2HB PRO 18 1HB PRO 18 -1.248 18.651 -3.448 124 1HG PRO 18 2HG PRO 18 -3.505 19.792 -2.610 125 2HG PRO 18 1HG PRO 18 -3.394 18.035 -2.823 126 1HD PRO 18 2HD PRO 18 -3.319 19.650 -0.308 127 2HD PRO 18 1HD PRO 18 -4.092 18.082 -0.619 128 H GLY 19 H GLY 19 0.965 19.176 -2.692 129 1HA GLY 19 2HA GLY 19 2.931 20.257 -2.192 130 2HA GLY 19 1HA GLY 19 2.217 20.645 -0.629 131 H GLU 20 H GLU 20 2.496 19.190 1.116 132 HA GLU 20 HA GLU 20 4.862 17.476 0.802 133 1HB GLU 20 2HB GLU 20 4.293 19.470 2.661 134 2HB GLU 20 1HB GLU 20 4.025 17.975 3.545 135 1HG GLU 20 2HG GLU 20 6.237 18.281 3.961 136 2HG GLU 20 1HG GLU 20 6.344 17.326 2.483 137 H ASN 21 H ASN 21 4.833 15.347 1.474 138 HA ASN 21 HA ASN 21 3.966 13.297 1.968 139 1HB ASN 21 2HB ASN 21 1.788 14.826 3.415 140 2HB ASN 21 1HB ASN 21 2.225 13.134 3.654 141 1HD2 ASN 21 1HD2 ASN 21 2.448 13.753 5.892 142 2HD2 ASN 21 2HD2 ASN 21 3.921 14.477 6.433 143 H LEU 22 H LEU 22 3.464 12.850 -0.213 144 HA LEU 22 HA LEU 22 0.996 13.685 -1.371 145 1HB LEU 22 2HB LEU 22 3.381 12.357 -2.233 146 2HB LEU 22 1HB LEU 22 1.983 11.452 -2.784 147 HG LEU 22 HG LEU 22 2.727 13.080 -4.458 148 1HD1 LEU 22 1HD1 LEU 22 0.541 12.806 -4.904 149 2HD1 LEU 22 2HD1 LEU 22 0.415 14.463 -4.315 150 3HD1 LEU 22 3HD1 LEU 22 0.055 13.115 -3.237 151 1HD2 LEU 22 1HD2 LEU 22 1.927 15.538 -3.573 152 2HD2 LEU 22 2HD2 LEU 22 3.597 14.976 -3.645 153 3HD2 LEU 22 3HD2 LEU 22 2.690 14.855 -2.137 154 H CYS 23 H CYS 23 2.005 10.276 -1.172 155 HA CYS 23 HA CYS 23 -0.325 9.551 0.364 156 1HB CYS 23 2HB CYS 23 -0.106 9.152 -2.582 157 2HB CYS 23 1HB CYS 23 -0.917 7.922 -1.613 158 H TYR 24 H TYR 24 2.619 9.222 0.477 159 HA TYR 24 HA TYR 24 3.100 6.425 -0.054 160 1HB TYR 24 2HB TYR 24 5.107 7.409 -0.351 161 2HB TYR 24 1HB TYR 24 4.691 8.781 0.667 162 HD1 TYR 24 1HD TYR 24 6.394 5.604 0.482 163 HD2 TYR 24 2HD TYR 24 4.973 8.604 3.132 164 HE1 TYR 24 1HE TYR 24 7.860 4.721 2.251 165 HE2 TYR 24 2HE TYR 24 6.437 7.737 4.914 166 HH TYR 24 HH TYR 24 7.553 5.097 5.251 167 H ARG 25 H ARG 25 3.968 4.972 1.612 168 HA ARG 25 HA ARG 25 3.561 5.453 4.365 169 1HB ARG 25 2HB ARG 25 1.194 5.208 3.610 170 2HB ARG 25 1HB ARG 25 1.563 3.553 3.152 171 1HG ARG 25 2HG ARG 25 2.462 3.639 5.724 172 2HG ARG 25 1HG ARG 25 1.065 4.716 5.785 173 1HD ARG 25 2HD ARG 25 0.471 2.339 4.265 174 2HD ARG 25 1HD ARG 25 1.064 1.924 5.871 175 HE ARG 25 HE ARG 25 -1.460 3.077 5.224 176 1HH1 ARG 25 1HH1 ARG 25 1.014 2.964 7.682 177 2HH1 ARG 25 2HH1 ARG 25 -0.074 3.349 8.973 178 1HH2 ARG 25 1HH2 ARG 25 -2.894 3.583 6.920 179 2HH2 ARG 25 2HH2 ARG 25 -2.293 3.699 8.540 180 H LYS 26 H LYS 26 2.915 2.439 2.586 181 HA LYS 26 HA LYS 26 5.479 1.370 2.605 182 1HB LYS 26 2HB LYS 26 4.641 1.586 5.201 183 2HB LYS 26 1HB LYS 26 4.142 -0.053 4.807 184 1HG LYS 26 2HG LYS 26 6.775 0.292 3.831 185 2HG LYS 26 1HG LYS 26 6.729 0.915 5.480 186 1HD LYS 26 2HD LYS 26 5.431 -1.705 4.906 187 2HD LYS 26 1HD LYS 26 7.193 -1.635 4.991 188 1HE LYS 26 2HE LYS 26 5.396 -0.542 7.143 189 2HE LYS 26 1HE LYS 26 6.000 -2.198 7.146 190 1HZ LYS 26 1HZ LYS 26 7.703 0.236 7.118 191 2HZ LYS 26 2HZ LYS 26 8.249 -1.363 7.193 192 3HZ LYS 26 3HZ LYS 26 7.375 -0.709 8.484 193 H MET 27 H MET 27 5.469 -1.056 2.320 194 HA MET 27 HA MET 27 2.894 -2.217 1.646 195 1HB MET 27 2HB MET 27 4.383 -0.913 -0.341 196 2HB MET 27 1HB MET 27 4.668 -2.628 -0.603 197 1HG MET 27 2HG MET 27 2.749 -2.703 -1.691 198 2HG MET 27 1HG MET 27 1.933 -2.423 -0.156 199 1HE MET 27 1HE MET 27 4.065 0.403 -2.393 200 2HE MET 27 2HE MET 27 2.735 0.499 -3.547 201 3HE MET 27 3HE MET 27 3.521 -1.049 -3.234 202 H TRP 28 H TRP 28 3.732 -4.389 0.182 203 HA TRP 28 HA TRP 28 5.941 -5.648 1.596 204 1HB TRP 28 2HB TRP 28 3.612 -5.983 2.797 205 2HB TRP 28 1HB TRP 28 3.372 -7.178 1.525 206 HD1 TRP 28 HD TRP 28 3.756 -9.459 2.630 207 HE1 TRP 28 1HE TRP 28 5.583 -10.499 4.115 208 HE3 TRP 28 3HE TRP 28 6.629 -5.305 3.406 209 HZ2 TRP 28 2HZ TRP 28 7.934 -9.667 5.440 210 HZ3 TRP 28 3HZ TRP 28 8.650 -5.510 4.794 211 HH2 TRP 28 HH TRP 28 9.288 -7.646 5.789 212 H CYS 29 H CYS 29 5.990 -8.103 0.758 213 HA CYS 29 HA CYS 29 4.992 -8.638 -1.825 214 1HB CYS 29 2HB CYS 29 6.991 -6.792 -1.951 215 2HB CYS 29 1HB CYS 29 7.906 -8.291 -2.122 216 H ASP 30 H ASP 30 4.616 -10.701 -1.177 217 HA ASP 30 HA ASP 30 6.434 -12.290 0.298 218 1HB ASP 30 2HB ASP 30 3.940 -12.654 0.111 219 2HB ASP 30 1HB ASP 30 4.224 -13.295 -1.505 220 H ALA 31 H ALA 31 7.990 -13.713 -0.329 221 HA ALA 31 HA ALA 31 9.577 -14.677 -1.647 222 1HB ALA 31 1HB ALA 31 7.188 -15.490 -2.646 223 2HB ALA 31 2HB ALA 31 8.754 -16.062 -3.221 224 3HB ALA 31 3HB ALA 31 7.923 -14.762 -4.075 225 H PHE 32 H PHE 32 9.910 -14.393 -4.523 226 HA PHE 32 HA PHE 32 11.179 -11.797 -4.519 227 1HB PHE 32 2HB PHE 32 11.058 -13.777 -6.796 228 2HB PHE 32 1HB PHE 32 12.231 -12.486 -6.557 229 HD1 PHE 32 1HD PHE 32 13.171 -12.745 -3.899 230 HD2 PHE 32 2HD PHE 32 12.071 -15.820 -6.626 231 HE1 PHE 32 1HE PHE 32 14.658 -14.314 -2.723 232 HE2 PHE 32 2HE PHE 32 13.555 -17.395 -5.455 233 HZ PHE 32 HZ PHE 32 14.851 -16.642 -3.501 234 H CYS 33 H CYS 33 8.615 -11.212 -4.294 235 HA CYS 33 HA CYS 33 6.769 -10.239 -5.218 236 1HB CYS 33 2HB CYS 33 9.059 -9.105 -6.809 237 2HB CYS 33 1HB CYS 33 7.404 -8.552 -7.052 238 H SER 34 H SER 34 7.427 -12.871 -6.296 239 HA SER 34 HA SER 34 6.817 -12.765 -9.115 240 1HB SER 34 2HB SER 34 6.930 -15.200 -9.032 241 2HB SER 34 1HB SER 34 8.310 -14.511 -8.176 242 HG SER 34 HG SER 34 7.227 -16.248 -7.051 243 H SER 35 H SER 35 5.132 -13.318 -6.110 244 HA SER 35 HA SER 35 2.603 -13.446 -7.605 245 1HB SER 35 2HB SER 35 3.671 -15.340 -5.610 246 2HB SER 35 1HB SER 35 2.000 -14.845 -5.339 247 HG SER 35 HG SER 35 1.470 -16.133 -6.897 248 H ARG 36 H ARG 36 1.491 -11.672 -7.168 249 HA ARG 36 HA ARG 36 2.022 -9.866 -5.120 250 1HB ARG 36 2HB ARG 36 -0.646 -10.235 -6.479 251 2HB ARG 36 1HB ARG 36 -0.022 -8.765 -5.747 252 1HG ARG 36 2HG ARG 36 0.953 -10.115 -8.252 253 2HG ARG 36 1HG ARG 36 0.144 -8.553 -8.114 254 1HD ARG 36 2HD ARG 36 2.768 -9.108 -6.759 255 2HD ARG 36 1HD ARG 36 2.686 -8.557 -8.430 256 HE ARG 36 HE ARG 36 2.129 -7.011 -6.050 257 1HH1 ARG 36 1HH1 ARG 36 1.771 -7.239 -9.517 258 2HH1 ARG 36 2HH1 ARG 36 1.532 -5.537 -9.727 259 1HH2 ARG 36 1HH2 ARG 36 1.815 -4.774 -6.330 260 2HH2 ARG 36 2HH2 ARG 36 1.557 -4.138 -7.921 261 H GLY 37 H GLY 37 1.386 -9.646 -3.054 262 1HA GLY 37 2HA GLY 37 -0.444 -11.709 -1.995 263 2HA GLY 37 1HA GLY 37 0.886 -11.010 -1.085 264 H LYS 38 H LYS 38 -1.595 -9.438 -3.074 265 HA LYS 38 HA LYS 38 -3.079 -7.789 -2.638 266 1HB LYS 38 2HB LYS 38 -3.369 -8.500 0.226 267 2HB LYS 38 1HB LYS 38 -4.595 -8.201 -0.991 268 1HG LYS 38 2HG LYS 38 -2.941 -10.711 -0.892 269 2HG LYS 38 1HG LYS 38 -4.508 -10.535 -0.105 270 1HD LYS 38 2HD LYS 38 -5.108 -9.669 -2.592 271 2HD LYS 38 1HD LYS 38 -3.841 -10.842 -2.957 272 1HE LYS 38 2HE LYS 38 -6.170 -11.769 -2.957 273 2HE LYS 38 1HE LYS 38 -5.042 -12.594 -1.883 274 1HZ LYS 38 1HZ LYS 38 -6.696 -10.414 -0.816 275 2HZ LYS 38 2HZ LYS 38 -6.069 -11.772 -0.026 276 3HZ LYS 38 3HZ LYS 38 -7.400 -11.935 -1.055 277 H VAL 39 H VAL 39 -1.764 -7.900 0.663 278 HA VAL 39 HA VAL 39 -1.144 -6.128 1.981 279 HB VAL 39 HB VAL 39 0.902 -7.183 0.855 280 1HG1 VAL 39 1HG1 VAL 39 0.348 -5.281 -1.108 281 2HG1 VAL 39 2HG1 VAL 39 1.758 -6.333 -0.990 282 3HG1 VAL 39 3HG1 VAL 39 1.804 -4.716 -0.289 283 1HG2 VAL 39 1HG2 VAL 39 2.254 -5.015 1.712 284 2HG2 VAL 39 2HG2 VAL 39 1.535 -6.220 2.780 285 3HG2 VAL 39 3HG2 VAL 39 0.674 -4.721 2.435 286 H VAL 40 H VAL 40 0.426 -3.785 0.788 287 HA VAL 40 HA VAL 40 0.086 -1.781 -0.263 288 HB VAL 40 HB VAL 40 -1.754 -1.176 -1.498 289 1HG1 VAL 40 1HG1 VAL 40 -0.814 -3.771 -1.815 290 2HG1 VAL 40 2HG1 VAL 40 -1.652 -2.782 -3.011 291 3HG1 VAL 40 3HG1 VAL 40 -2.564 -3.893 -1.990 292 1HG2 VAL 40 1HG2 VAL 40 -3.290 -2.471 0.605 293 2HG2 VAL 40 2HG2 VAL 40 -3.939 -2.787 -1.003 294 3HG2 VAL 40 3HG2 VAL 40 -3.720 -1.127 -0.451 295 H GLU 41 H GLU 41 -0.584 0.247 0.434 296 HA GLU 41 HA GLU 41 -2.438 0.982 2.284 297 1HB GLU 41 2HB GLU 41 -1.050 1.087 4.408 298 2HB GLU 41 1HB GLU 41 -1.633 -0.505 3.950 299 1HG GLU 41 2HG GLU 41 0.610 -0.909 2.897 300 2HG GLU 41 1HG GLU 41 1.146 0.592 3.651 301 H LEU 42 H LEU 42 -2.356 3.164 2.577 302 HA LEU 42 HA LEU 42 0.187 4.549 2.161 303 1HB LEU 42 2HB LEU 42 -1.127 6.199 0.679 304 2HB LEU 42 1HB LEU 42 -0.541 4.706 -0.024 305 HG LEU 42 HG LEU 42 -2.862 5.374 -0.703 306 1HD1 LEU 42 1HD1 LEU 42 -3.402 3.220 -1.045 307 2HD1 LEU 42 2HD1 LEU 42 -3.236 2.795 0.659 308 3HD1 LEU 42 3HD1 LEU 42 -1.803 2.920 -0.361 309 1HD2 LEU 42 1HD2 LEU 42 -3.755 4.413 1.989 310 2HD2 LEU 42 2HD2 LEU 42 -4.658 5.309 0.767 311 3HD2 LEU 42 3HD2 LEU 42 -3.403 6.118 1.705 312 H GLY 43 H GLY 43 0.230 6.704 2.922 313 1HA GLY 43 2HA GLY 43 -2.062 7.800 4.292 314 2HA GLY 43 1HA GLY 43 -0.795 7.225 5.371 315 H CYS 44 H CYS 44 0.416 8.362 2.407 316 HA CYS 44 HA CYS 44 1.582 10.221 1.825 317 1HB CYS 44 2HB CYS 44 0.025 11.788 3.866 318 2HB CYS 44 1HB CYS 44 0.609 12.310 2.289 319 H ALA 45 H ALA 45 3.376 11.422 2.441 320 HA ALA 45 HA ALA 45 4.152 12.143 4.999 321 1HB ALA 45 1HB ALA 45 5.108 10.390 6.005 322 2HB ALA 45 2HB ALA 45 5.887 9.847 4.519 323 3HB ALA 45 3HB ALA 45 4.215 9.400 4.851 324 H ALA 46 H ALA 46 5.954 13.401 4.899 325 HA ALA 46 HA ALA 46 7.042 13.982 2.335 326 1HB ALA 46 1HB ALA 46 8.529 14.964 4.672 327 2HB ALA 46 2HB ALA 46 6.817 15.386 4.641 328 3HB ALA 46 3HB ALA 46 7.862 15.844 3.296 329 H THR 47 H THR 47 7.664 11.630 2.041 330 HA THR 47 HA THR 47 10.506 11.422 2.268 331 HB THR 47 HB THR 47 8.791 9.495 3.846 332 HG1 THR 47 1HG THR 47 10.635 11.495 4.604 333 1HG2 THR 47 1HG2 THR 47 11.216 8.924 2.646 334 2HG2 THR 47 2HG2 THR 47 10.466 8.051 3.980 335 3HG2 THR 47 3HG2 THR 47 11.635 9.329 4.310 336 H CYS 48 H CYS 48 11.367 9.850 0.904 337 HA CYS 48 HA CYS 48 9.447 8.253 -0.655 338 1HB CYS 48 2HB CYS 48 11.048 10.457 -1.593 339 2HB CYS 48 1HB CYS 48 11.530 8.977 -2.412 340 HA PRO 49 HA PRO 49 13.038 5.727 1.026 341 1HB PRO 49 2HB PRO 49 10.800 3.860 1.537 342 2HB PRO 49 1HB PRO 49 12.122 4.347 2.602 343 1HG PRO 49 2HG PRO 49 9.631 5.223 3.005 344 2HG PRO 49 1HG PRO 49 11.035 6.268 3.297 345 1HD PRO 49 2HD PRO 49 9.145 6.235 0.974 346 2HD PRO 49 1HD PRO 49 9.863 7.618 1.824 347 H SER 50 H SER 50 10.580 5.539 -1.302 348 HA SER 50 HA SER 50 10.562 3.139 -2.473 349 1HB SER 50 2HB SER 50 9.329 5.004 -3.367 350 2HB SER 50 1HB SER 50 10.819 5.831 -3.819 351 HG SER 50 HG SER 50 10.164 3.280 -4.848 352 H LYS 51 H LYS 51 12.905 5.568 -3.663 353 HA LYS 51 HA LYS 51 14.569 3.405 -4.674 354 1HB LYS 51 2HB LYS 51 15.891 5.270 -5.704 355 2HB LYS 51 1HB LYS 51 14.213 5.184 -6.219 356 1HG LYS 51 2HG LYS 51 13.622 7.022 -4.789 357 2HG LYS 51 1HG LYS 51 15.243 7.052 -4.093 358 1HD LYS 51 2HD LYS 51 14.535 7.614 -6.973 359 2HD LYS 51 1HD LYS 51 14.968 8.817 -5.757 360 1HE LYS 51 2HE LYS 51 17.131 7.383 -5.513 361 2HE LYS 51 1HE LYS 51 16.685 6.775 -7.108 362 1HZ LYS 51 1HZ LYS 51 18.194 8.888 -6.813 363 2HZ LYS 51 2HZ LYS 51 16.700 9.673 -6.705 364 3HZ LYS 51 3HZ LYS 51 17.083 8.773 -8.084 365 H LYS 52 H LYS 52 15.171 2.669 -2.518 366 HA LYS 52 HA LYS 52 17.642 3.934 -1.651 367 1HB LYS 52 2HB LYS 52 15.681 3.198 0.500 368 2HB LYS 52 1HB LYS 52 17.052 4.294 0.575 369 1HG LYS 52 2HG LYS 52 14.614 4.925 -1.049 370 2HG LYS 52 1HG LYS 52 14.746 5.320 0.664 371 1HD LYS 52 2HD LYS 52 17.020 6.126 -1.039 372 2HD LYS 52 1HD LYS 52 15.505 6.991 -1.298 373 1HE LYS 52 2HE LYS 52 17.066 6.737 1.264 374 2HE LYS 52 1HE LYS 52 16.767 8.200 0.327 375 1HZ LYS 52 1HZ LYS 52 14.941 6.715 2.084 376 2HZ LYS 52 2HZ LYS 52 14.297 7.597 0.791 377 3HZ LYS 52 3HZ LYS 52 15.211 8.383 1.978 378 HA PRO 53 HA PRO 53 19.198 -0.079 -0.437 379 1HB PRO 53 2HB PRO 53 18.211 0.035 2.381 380 2HB PRO 53 1HB PRO 53 19.818 -0.373 1.766 381 1HG PRO 53 2HG PRO 53 19.385 2.002 2.848 382 2HG PRO 53 1HG PRO 53 20.377 1.856 1.385 383 1HD PRO 53 2HD PRO 53 17.552 2.783 1.676 384 2HD PRO 53 1HD PRO 53 18.833 3.392 0.609 385 H TYR 54 H TYR 54 18.077 -1.868 1.715 386 HA TYR 54 HA TYR 54 16.152 -3.207 0.047 387 1HB TYR 54 2HB TYR 54 16.099 -4.434 2.563 388 2HB TYR 54 1HB TYR 54 17.078 -4.914 1.175 389 HD1 TYR 54 1HD TYR 54 19.418 -4.513 1.123 390 HD2 TYR 54 2HD TYR 54 17.052 -2.944 4.283 391 HE1 TYR 54 1HE TYR 54 21.456 -3.860 2.309 392 HE2 TYR 54 2HE TYR 54 19.078 -2.294 5.492 393 HH TYR 54 HH TYR 54 21.416 -2.814 5.601 394 H GLU 55 H GLU 55 14.151 -2.405 -0.139 395 HA GLU 55 HA GLU 55 12.559 -2.116 2.290 396 1HB GLU 55 2HB GLU 55 11.870 -0.058 0.343 397 2HB GLU 55 1HB GLU 55 12.037 0.054 2.086 398 1HG GLU 55 2HG GLU 55 13.710 1.454 1.466 399 2HG GLU 55 1HG GLU 55 14.614 -0.058 1.471 400 H GLU 56 H GLU 56 10.293 -1.008 0.918 401 HA GLU 56 HA GLU 56 9.679 -2.701 -1.304 402 1HB GLU 56 2HB GLU 56 8.107 -4.114 -0.285 403 2HB GLU 56 1HB GLU 56 9.523 -4.153 0.753 404 1HG GLU 56 2HG GLU 56 7.066 -2.492 1.253 405 2HG GLU 56 1HG GLU 56 7.415 -4.049 2.005 406 H VAL 57 H VAL 57 9.625 0.158 -0.489 407 HA VAL 57 HA VAL 57 6.753 0.720 -0.807 408 HB VAL 57 HB VAL 57 8.723 2.880 -0.178 409 1HG1 VAL 57 1HG1 VAL 57 5.808 2.407 0.108 410 2HG1 VAL 57 2HG1 VAL 57 6.677 3.847 -0.420 411 3HG1 VAL 57 3HG1 VAL 57 6.595 3.447 1.295 412 1HG2 VAL 57 1HG2 VAL 57 8.281 2.441 2.269 413 2HG2 VAL 57 2HG2 VAL 57 9.371 1.307 1.470 414 3HG2 VAL 57 3HG2 VAL 57 7.698 0.847 1.790 415 H THR 58 H THR 58 6.365 2.807 -2.086 416 HA THR 58 HA THR 58 8.252 3.246 -4.253 417 HB THR 58 HB THR 58 6.771 2.699 -6.019 418 HG1 THR 58 1HG THR 58 4.704 2.839 -5.790 419 1HG2 THR 58 1HG2 THR 58 7.723 0.676 -5.183 420 2HG2 THR 58 2HG2 THR 58 6.039 0.371 -5.608 421 3HG2 THR 58 3HG2 THR 58 6.500 0.568 -3.917 422 H CYS 59 H CYS 59 7.500 4.902 -2.135 423 HA CYS 59 HA CYS 59 6.744 6.987 -1.648 424 1HB CYS 59 2HB CYS 59 6.863 7.281 -4.663 425 2HB CYS 59 1HB CYS 59 6.727 8.617 -3.519 426 H CYS 60 H CYS 60 5.003 7.871 -4.371 427 HA CYS 60 HA CYS 60 2.708 6.870 -4.817 428 1HB CYS 60 2HB CYS 60 2.666 7.367 -1.870 429 2HB CYS 60 1HB CYS 60 1.189 7.656 -2.775 430 H SER 61 H SER 61 4.109 8.993 -5.695 431 HA SER 61 HA SER 61 2.338 11.290 -5.182 432 1HB SER 61 2HB SER 61 4.175 12.756 -5.712 433 2HB SER 61 1HB SER 61 4.744 11.579 -4.524 434 HG SER 61 HG SER 61 6.076 12.037 -6.509 435 H THR 62 H THR 62 1.979 12.741 -7.007 436 HA THR 62 HA THR 62 1.461 13.245 -9.167 437 HB THR 62 HB THR 62 2.830 10.778 -10.176 438 HG1 THR 62 1HG THR 62 4.178 13.147 -9.406 439 1HG2 THR 62 1HG2 THR 62 3.086 11.877 -12.120 440 2HG2 THR 62 2HG2 THR 62 3.314 13.440 -11.335 441 3HG2 THR 62 3HG2 THR 62 1.691 12.781 -11.532 442 H ASP 63 H ASP 63 0.066 11.127 -7.410 443 HA ASP 63 HA ASP 63 -2.207 10.744 -8.900 444 1HB ASP 63 2HB ASP 63 -1.992 8.246 -9.410 445 2HB ASP 63 1HB ASP 63 -1.137 9.349 -10.481 446 H LYS 64 H LYS 64 -3.658 8.985 -7.980 447 HA LYS 64 HA LYS 64 -3.767 9.198 -5.220 448 1HB LYS 64 2HB LYS 64 -5.002 6.976 -6.823 449 2HB LYS 64 1HB LYS 64 -5.557 7.597 -5.271 450 1HG LYS 64 2HG LYS 64 -6.961 8.880 -6.412 451 2HG LYS 64 1HG LYS 64 -5.558 9.819 -6.924 452 1HD LYS 64 2HD LYS 64 -5.312 8.323 -8.875 453 2HD LYS 64 1HD LYS 64 -6.771 7.467 -8.375 454 1HE LYS 64 2HE LYS 64 -8.082 9.005 -9.308 455 2HE LYS 64 1HE LYS 64 -7.225 10.316 -8.496 456 1HZ LYS 64 1HZ LYS 64 -5.458 9.804 -10.337 457 2HZ LYS 64 2HZ LYS 64 -6.784 10.802 -10.663 458 3HZ LYS 64 3HZ LYS 64 -6.798 9.186 -11.166 459 H CYS 65 H CYS 65 -2.279 6.892 -7.226 460 HA CYS 65 HA CYS 65 -0.670 5.326 -6.852 461 1HB CYS 65 2HB CYS 65 0.252 6.967 -5.242 462 2HB CYS 65 1HB CYS 65 -0.730 6.238 -3.974 463 H ASN 66 H ASN 66 -3.153 5.376 -4.284 464 HA ASN 66 HA ASN 66 -3.034 2.897 -3.244 465 1HB ASN 66 2HB ASN 66 -5.754 3.712 -4.146 466 2HB ASN 66 1HB ASN 66 -5.230 3.084 -2.592 467 1HD2 ASN 66 1HD2 ASN 66 -5.111 4.466 -0.984 468 2HD2 ASN 66 2HD2 ASN 66 -5.024 6.186 -1.126 469 HA PRO 67 HA PRO 67 -3.341 0.508 -7.108 470 1HB PRO 67 2HB PRO 67 -2.023 -1.599 -5.588 471 2HB PRO 67 1HB PRO 67 -1.446 -0.728 -7.010 472 1HG PRO 67 2HG PRO 67 -0.348 -0.418 -4.548 473 2HG PRO 67 1HG PRO 67 -0.385 0.877 -5.759 474 1HD PRO 67 2HD PRO 67 -2.168 0.447 -3.387 475 2HD PRO 67 1HD PRO 67 -1.450 1.954 -3.999 476 H HIS 68 H HIS 68 -4.769 0.202 -4.096 477 HA HIS 68 HA HIS 68 -6.453 -1.043 -3.236 478 1HB HIS 68 2HB HIS 68 -8.252 -1.465 -4.644 479 2HB HIS 68 1HB HIS 68 -7.377 -0.223 -5.526 480 HD1 HIS 68 1HD HIS 68 -7.647 -4.019 -5.493 481 HD2 HIS 68 2HD HIS 68 -6.893 -0.880 -8.108 482 HE1 HIS 68 1HE HIS 68 -7.472 -5.070 -7.770 483 HE2 HIS 68 2HE HIS 68 -7.143 -3.135 -9.350 484 HA PRO 69 HA PRO 69 -5.532 -5.279 -2.535 485 1HB PRO 69 2HB PRO 69 -8.192 -6.065 -3.640 486 2HB PRO 69 1HB PRO 69 -7.438 -6.503 -2.102 487 1HG PRO 69 2HG PRO 69 -9.373 -4.684 -2.178 488 2HG PRO 69 1HG PRO 69 -7.975 -4.472 -1.109 489 1HD PRO 69 2HD PRO 69 -8.609 -3.125 -3.693 490 2HD PRO 69 1HD PRO 69 -7.805 -2.477 -2.249 491 H LYS 70 H LYS 70 -4.032 -6.127 -3.842 492 HA LYS 70 HA LYS 70 -4.172 -6.232 -6.643 493 1HB LYS 70 2HB LYS 70 -2.506 -8.138 -5.021 494 2HB LYS 70 1HB LYS 70 -2.141 -7.417 -6.582 495 1HG LYS 70 2HG LYS 70 -2.189 -5.182 -5.239 496 2HG LYS 70 1HG LYS 70 -1.926 -6.243 -3.856 497 1HD LYS 70 2HD LYS 70 -0.191 -6.823 -6.138 498 2HD LYS 70 1HD LYS 70 0.038 -5.210 -5.461 499 1HE LYS 70 2HE LYS 70 -0.193 -7.109 -3.333 500 2HE LYS 70 1HE LYS 70 1.020 -7.669 -4.483 501 1HZ LYS 70 1HZ LYS 70 1.980 -5.363 -4.331 502 2HZ LYS 70 2HZ LYS 70 2.144 -6.319 -2.946 503 3HZ LYS 70 3HZ LYS 70 0.966 -5.107 -3.001 504 H GLN 71 H GLN 71 -4.322 -8.970 -4.357 505 HA GLN 71 HA GLN 71 -5.220 -11.047 -4.538 506 1HB GLN 71 2HB GLN 71 -7.259 -9.829 -4.253 507 2HB GLN 71 1HB GLN 71 -7.299 -9.390 -5.955 508 1HG GLN 71 2HG GLN 71 -8.319 -11.283 -6.523 509 2HG GLN 71 1HG GLN 71 -7.217 -12.264 -5.557 510 1HE2 GLN 71 1HE2 GLN 71 -9.728 -9.829 -4.929 511 2HE2 GLN 71 2HE2 GLN 71 -10.557 -10.749 -3.723 512 H ARG 72 H ARG 72 -6.551 -10.032 -7.650 513 HA ARG 72 HA ARG 72 -5.766 -12.340 -9.002 514 1HB ARG 72 2HB ARG 72 -6.265 -9.619 -10.223 515 2HB ARG 72 1HB ARG 72 -6.359 -11.169 -11.048 516 1HG ARG 72 2HG ARG 72 -8.137 -10.351 -8.760 517 2HG ARG 72 1HG ARG 72 -8.562 -10.202 -10.465 518 1HD ARG 72 2HD ARG 72 -9.520 -12.221 -9.983 519 2HD ARG 72 1HD ARG 72 -7.923 -12.751 -10.510 520 HE ARG 72 HE ARG 72 -7.551 -12.499 -7.882 521 1HH1 ARG 72 1HH1 ARG 72 -10.120 -14.034 -9.683 522 2HH1 ARG 72 2HH1 ARG 72 -10.451 -15.203 -8.450 523 1HH2 ARG 72 1HH2 ARG 72 -7.988 -14.038 -6.263 524 2HH2 ARG 72 2HH2 ARG 72 -9.241 -15.207 -6.511 525 HA PRO 73 HA PRO 73 -1.495 -11.927 -9.981 526 1HB PRO 73 2HB PRO 73 -1.490 -12.632 -12.653 527 2HB PRO 73 1HB PRO 73 -1.507 -13.778 -11.310 528 1HG PRO 73 2HG PRO 73 -3.774 -12.784 -12.986 529 2HG PRO 73 1HG PRO 73 -3.462 -14.421 -12.375 530 1HD PRO 73 2HD PRO 73 -5.275 -12.819 -11.220 531 2HD PRO 73 1HD PRO 73 -4.264 -13.917 -10.257 532 H GLY 74 H GLY 74 -3.868 -10.277 -11.940 533 1HA GLY 74 2HA GLY 74 -1.805 -8.457 -12.978 534 2HA GLY 74 1HA GLY 74 -3.449 -8.602 -13.592 535 1H TYR 181 1HT TYR 181 -7.202 -17.362 23.138 536 2H TYR 181 2HT TYR 181 -7.650 -18.251 24.535 537 3H TYR 181 3HT TYR 181 -6.879 -19.043 23.223 538 HA TYR 181 HA TYR 181 -5.713 -16.967 24.954 539 1HB TYR 181 2HB TYR 181 -5.265 -19.951 24.719 540 2HB TYR 181 1HB TYR 181 -4.269 -18.866 25.684 541 HD1 TYR 181 1HD TYR 181 -5.889 -17.248 27.235 542 HD2 TYR 181 2HD TYR 181 -6.735 -21.214 25.949 543 HE1 TYR 181 1HE TYR 181 -7.423 -17.532 29.136 544 HE2 TYR 181 2HE TYR 181 -8.271 -21.509 27.846 545 HH TYR 181 HH TYR 181 -9.494 -19.042 29.621 546 H ARG 182 H ARG 182 -3.205 -17.242 24.695 547 HA ARG 182 HA ARG 182 -1.367 -16.910 23.399 548 1HB ARG 182 2HB ARG 182 -2.153 -19.269 22.628 549 2HB ARG 182 1HB ARG 182 -2.664 -18.440 21.165 550 1HG ARG 182 2HG ARG 182 -0.204 -17.500 21.245 551 2HG ARG 182 1HG ARG 182 0.072 -18.960 22.198 552 1HD ARG 182 2HD ARG 182 -0.433 -20.364 20.440 553 2HD ARG 182 1HD ARG 182 -1.415 -19.152 19.618 554 HE ARG 182 HE ARG 182 0.471 -18.376 18.573 555 1HH1 ARG 182 1HH1 ARG 182 1.409 -20.454 21.216 556 2HH1 ARG 182 2HH1 ARG 182 3.081 -20.479 20.767 557 1HH2 ARG 182 1HH2 ARG 182 2.670 -18.407 17.982 558 2HH2 ARG 182 2HH2 ARG 182 3.798 -19.317 18.932 559 H GLY 183 H GLY 183 -0.581 -15.518 21.798 560 1HA GLY 183 2HA GLY 183 -2.500 -13.572 20.886 561 2HA GLY 183 1HA GLY 183 -0.759 -13.502 20.670 562 H TRP 184 H TRP 184 -1.042 -16.364 19.534 563 HA TRP 184 HA TRP 184 -0.893 -17.212 17.424 564 1HB TRP 184 2HB TRP 184 -2.997 -17.122 16.151 565 2HB TRP 184 1HB TRP 184 -3.277 -17.466 17.854 566 HD1 TRP 184 HD TRP 184 -3.366 -14.381 15.497 567 HE1 TRP 184 1HE TRP 184 -5.269 -12.841 16.290 568 HE3 TRP 184 3HE TRP 184 -4.864 -17.001 19.623 569 HZ2 TRP 184 2HZ TRP 184 -7.156 -12.748 18.387 570 HZ3 TRP 184 3HZ TRP 184 -6.726 -16.118 20.969 571 HH2 TRP 184 HH TRP 184 -7.847 -14.035 20.362 572 H LYS 185 H LYS 185 -1.605 -16.497 14.938 573 HA LYS 185 HA LYS 185 0.137 -14.213 14.447 574 1HB LYS 185 2HB LYS 185 0.585 -16.276 13.219 575 2HB LYS 185 1HB LYS 185 -1.041 -16.254 12.554 576 1HG LYS 185 2HG LYS 185 -0.578 -14.490 11.131 577 2HG LYS 185 1HG LYS 185 0.804 -13.952 12.086 578 1HD LYS 185 2HD LYS 185 1.528 -14.997 10.000 579 2HD LYS 185 1HD LYS 185 2.056 -15.936 11.397 580 1HE LYS 185 2HE LYS 185 1.255 -17.562 9.946 581 2HE LYS 185 1HE LYS 185 -0.111 -17.286 11.025 582 1HZ LYS 185 1HZ LYS 185 -1.113 -15.866 9.371 583 2HZ LYS 185 2HZ LYS 185 -0.777 -17.378 8.691 584 3HZ LYS 185 3HZ LYS 185 0.218 -16.055 8.342 585 H HIS 186 H HIS 186 -0.554 -12.278 13.803 586 HA HIS 186 HA HIS 186 -3.405 -11.867 13.441 587 1HB HIS 186 2HB HIS 186 -2.912 -9.501 13.597 588 2HB HIS 186 1HB HIS 186 -2.073 -10.352 14.893 589 HD1 HIS 186 1HD HIS 186 -1.526 -7.898 12.328 590 HD2 HIS 186 2HD HIS 186 0.782 -10.832 14.154 591 HE1 HIS 186 1HE HIS 186 0.861 -7.265 11.856 592 HE2 HIS 186 2HE HIS 186 2.241 -9.002 13.054 593 H TRP 187 H TRP 187 -3.619 -9.789 11.745 594 HA TRP 187 HA TRP 187 -3.054 -11.047 9.187 595 1HB TRP 187 2HB TRP 187 -4.592 -8.499 9.664 596 2HB TRP 187 1HB TRP 187 -4.666 -9.558 8.261 597 HD1 TRP 187 HD TRP 187 -5.553 -9.696 12.038 598 HE1 TRP 187 1HE TRP 187 -7.627 -11.195 12.308 599 HE3 TRP 187 3HE TRP 187 -6.129 -11.175 7.176 600 HZ2 TRP 187 2HZ TRP 187 -9.287 -12.791 10.680 601 HZ3 TRP 187 3HZ TRP 187 -7.988 -12.688 6.619 602 HH2 TRP 187 HH TRP 187 -9.532 -13.479 8.335 603 H VAL 188 H VAL 188 -2.155 -9.888 7.412 604 HA VAL 188 HA VAL 188 0.032 -8.156 8.198 605 HB VAL 188 HB VAL 188 -0.348 -8.681 5.330 606 1HG1 VAL 188 1HG1 VAL 188 2.026 -9.546 6.883 607 2HG1 VAL 188 2HG1 VAL 188 1.683 -7.818 6.785 608 3HG1 VAL 188 3HG1 VAL 188 1.927 -8.753 5.310 609 1HG2 VAL 188 1HG2 VAL 188 -1.173 -10.789 5.838 610 2HG2 VAL 188 2HG2 VAL 188 -0.196 -10.930 7.300 611 3HG2 VAL 188 3HG2 VAL 188 0.562 -11.081 5.715 612 H TYR 189 H TYR 189 0.124 -6.806 5.537 613 HA TYR 189 HA TYR 189 -1.856 -4.743 6.150 614 1HB TYR 189 2HB TYR 189 0.462 -4.589 4.221 615 2HB TYR 189 1HB TYR 189 -0.475 -3.247 4.876 616 HD1 TYR 189 1HD TYR 189 2.308 -5.491 5.394 617 HD2 TYR 189 2HD TYR 189 -0.228 -2.655 7.294 618 HE1 TYR 189 1HE TYR 189 3.936 -5.273 7.222 619 HE2 TYR 189 2HE TYR 189 1.393 -2.427 9.129 620 HH TYR 189 HH TYR 189 4.562 -3.705 8.952 621 H TYR 190 H TYR 190 -2.600 -7.234 4.868 622 HA TYR 190 HA TYR 190 -2.995 -6.708 2.068 623 1HB TYR 190 2HB TYR 190 -4.330 -8.823 3.765 624 2HB TYR 190 1HB TYR 190 -4.166 -8.814 2.012 625 HD1 TYR 190 1HD TYR 190 -3.415 -11.192 3.393 626 HD2 TYR 190 2HD TYR 190 -1.104 -7.679 2.768 627 HE1 TYR 190 1HE TYR 190 -1.354 -12.518 3.588 628 HE2 TYR 190 2HE TYR 190 0.963 -8.994 2.959 629 HH TYR 190 HH TYR 190 1.667 -11.167 4.036 630 H THR 191 H THR 191 -4.430 -5.240 1.409 631 HA THR 191 HA THR 191 -6.654 -4.437 3.028 632 HB THR 191 HB THR 191 -5.997 -3.785 0.147 633 HG1 THR 191 1HG THR 191 -4.536 -3.132 1.985 634 1HG2 THR 191 1HG2 THR 191 -8.394 -3.329 1.316 635 2HG2 THR 191 2HG2 THR 191 -7.687 -2.328 0.048 636 3HG2 THR 191 3HG2 THR 191 -7.518 -1.857 1.739 637 H CYS 192 H CYS 192 -8.428 -5.629 3.244 638 HA CYS 192 HA CYS 192 -9.169 -7.587 1.237 639 1HB CYS 192 2HB CYS 192 -9.652 -8.539 3.257 640 2HB CYS 192 1HB CYS 192 -9.963 -6.998 4.034 641 H CYS 193 H CYS 193 -11.462 -7.825 0.798 642 HA CYS 193 HA CYS 193 -13.208 -7.043 -0.488 643 1HB CYS 193 2HB CYS 193 -14.209 -5.116 1.249 644 2HB CYS 193 1HB CYS 193 -14.514 -6.847 1.330 645 HA PRO 194 HA PRO 194 -11.016 -3.506 -2.531 646 1HB PRO 194 2HB PRO 194 -13.003 -4.424 -4.563 647 2HB PRO 194 1HB PRO 194 -11.310 -3.963 -4.774 648 1HG PRO 194 2HG PRO 194 -12.021 -6.525 -4.783 649 2HG PRO 194 1HG PRO 194 -10.519 -6.002 -3.997 650 1HD PRO 194 2HD PRO 194 -13.110 -6.825 -2.777 651 2HD PRO 194 1HD PRO 194 -11.455 -7.050 -2.176 652 H ASP 195 H ASP 195 -12.065 -1.644 -3.817 653 HA ASP 195 HA ASP 195 -13.959 -0.381 -2.150 654 1HB ASP 195 2HB ASP 195 -13.969 1.402 -3.863 655 2HB ASP 195 1HB ASP 195 -12.332 0.906 -3.428 656 H THR 196 H THR 196 -15.618 -2.078 -2.168 657 HA THR 196 HA THR 196 -17.662 -1.456 -4.155 658 HB THR 196 HB THR 196 -16.478 -3.326 -5.192 659 HG1 THR 196 1HG THR 196 -18.923 -4.200 -4.055 660 1HG2 THR 196 1HG2 THR 196 -16.245 -4.330 -2.561 661 2HG2 THR 196 2HG2 THR 196 -15.597 -5.000 -4.058 662 3HG2 THR 196 3HG2 THR 196 -17.199 -5.480 -3.497 663 HA PRO 197 HA PRO 197 -19.278 -2.591 0.128 664 1HB PRO 197 2HB PRO 197 -19.494 0.175 0.891 665 2HB PRO 197 1HB PRO 197 -18.530 -1.084 1.664 666 1HG PRO 197 2HG PRO 197 -17.485 1.087 0.328 667 2HG PRO 197 1HG PRO 197 -16.622 -0.432 0.613 668 1HD PRO 197 2HD PRO 197 -18.008 0.532 -1.854 669 2HD PRO 197 1HD PRO 197 -16.506 -0.400 -1.688 670 H TYR 198 H TYR 198 -19.886 -1.367 -2.676 671 HA TYR 198 HA TYR 198 -22.333 0.056 -2.409 672 1HB TYR 198 2HB TYR 198 -20.567 0.310 -4.212 673 2HB TYR 198 1HB TYR 198 -21.106 -1.241 -4.854 674 HD1 TYR 198 1HD TYR 198 -22.854 -1.308 -6.403 675 HD2 TYR 198 2HD TYR 198 -22.365 2.163 -3.993 676 HE1 TYR 198 1HE TYR 198 -24.593 -0.161 -7.712 677 HE2 TYR 198 2HE TYR 198 -24.103 3.319 -5.293 678 HH TYR 198 HH TYR 198 -26.285 1.933 -7.089 Start of MODEL 6 1 1H ILE 1 1HT ILE 1 0.217 18.494 -4.208 2 2H ILE 1 2HT ILE 1 -0.406 17.622 -2.867 3 3H ILE 1 3HT ILE 1 -1.096 19.130 -3.310 4 HA ILE 1 HA ILE 1 -2.175 18.308 -5.069 5 HB ILE 1 HB ILE 1 -1.573 16.110 -6.121 6 1HG1 ILE 1 2HG1 ILE 1 0.972 15.581 -5.623 7 2HG1 ILE 1 1HG1 ILE 1 0.589 16.307 -4.066 8 1HG2 ILE 1 1HG2 ILE 1 -0.016 18.595 -6.203 9 2HG2 ILE 1 2HG2 ILE 1 -0.786 17.691 -7.508 10 3HG2 ILE 1 3HG2 ILE 1 0.791 17.189 -6.899 11 1HD1 ILE 1 1HD1 ILE 1 -1.484 14.523 -4.522 12 2HD1 ILE 1 2HD1 ILE 1 -0.112 14.306 -3.434 13 3HD1 ILE 1 3HD1 ILE 1 -0.037 13.685 -5.082 14 H VAL 2 H VAL 2 -3.456 16.100 -5.439 15 HA VAL 2 HA VAL 2 -3.943 14.750 -2.897 16 HB VAL 2 HB VAL 2 -6.203 16.042 -4.425 17 1HG1 VAL 2 1HG1 VAL 2 -6.013 14.189 -2.144 18 2HG1 VAL 2 2HG1 VAL 2 -7.308 14.416 -3.320 19 3HG1 VAL 2 3HG1 VAL 2 -7.152 15.522 -1.954 20 1HG2 VAL 2 1HG2 VAL 2 -4.594 16.993 -2.093 21 2HG2 VAL 2 2HG2 VAL 2 -6.301 17.420 -2.217 22 3HG2 VAL 2 3HG2 VAL 2 -5.180 17.891 -3.495 23 H CYS 3 H CYS 3 -4.963 12.750 -3.075 24 HA CYS 3 HA CYS 3 -4.873 11.573 -5.747 25 1HB CYS 3 2HB CYS 3 -5.401 9.803 -3.460 26 2HB CYS 3 1HB CYS 3 -4.193 9.664 -4.736 27 H HIS 4 H HIS 4 -6.629 9.344 -5.038 28 HA HIS 4 HA HIS 4 -9.206 10.757 -4.822 29 1HB HIS 4 2HB HIS 4 -10.155 9.012 -6.380 30 2HB HIS 4 1HB HIS 4 -9.056 10.171 -7.126 31 HD1 HIS 4 1HD HIS 4 -9.822 6.815 -7.415 32 HD2 HIS 4 2HD HIS 4 -6.228 8.835 -6.913 33 HE1 HIS 4 1HE HIS 4 -8.048 5.248 -8.262 34 HE2 HIS 4 2HE HIS 4 -5.874 6.469 -7.895 35 H THR 5 H THR 5 -10.927 9.569 -3.832 36 HA THR 5 HA THR 5 -10.137 8.140 -1.604 37 HB THR 5 HB THR 5 -12.482 7.808 -1.214 38 HG1 THR 5 1HG THR 5 -13.071 7.208 -3.348 39 1HG2 THR 5 1HG2 THR 5 -12.957 9.929 -0.808 40 2HG2 THR 5 2HG2 THR 5 -12.735 10.403 -2.492 41 3HG2 THR 5 3HG2 THR 5 -11.335 10.233 -1.431 42 H THR 6 H THR 6 -9.331 6.244 -1.493 43 HA THR 6 HA THR 6 -10.613 3.979 -2.751 44 HB THR 6 HB THR 6 -7.679 4.571 -3.223 45 HG1 THR 6 1HG THR 6 -8.360 4.676 -5.423 46 1HG2 THR 6 1HG2 THR 6 -8.175 2.622 -4.939 47 2HG2 THR 6 2HG2 THR 6 -9.341 2.168 -3.697 48 3HG2 THR 6 3HG2 THR 6 -7.631 2.308 -3.291 49 H ALA 7 H ALA 7 -10.186 5.148 -0.101 50 HA ALA 7 HA ALA 7 -8.266 4.171 1.514 51 1HB ALA 7 1HB ALA 7 -9.714 4.380 3.315 52 2HB ALA 7 2HB ALA 7 -11.112 3.847 2.380 53 3HB ALA 7 3HB ALA 7 -10.420 5.445 2.100 54 H THR 8 H THR 8 -10.768 2.216 0.019 55 HA THR 8 HA THR 8 -9.492 -0.165 1.194 56 HB THR 8 HB THR 8 -12.427 0.223 0.584 57 HG1 THR 8 1HG THR 8 -11.574 1.246 2.512 58 1HG2 THR 8 1HG2 THR 8 -11.896 -2.079 0.227 59 2HG2 THR 8 2HG2 THR 8 -12.719 -1.924 1.780 60 3HG2 THR 8 3HG2 THR 8 -10.970 -2.145 1.727 61 H SER 9 H SER 9 -11.956 0.363 -1.320 62 HA SER 9 HA SER 9 -10.126 -0.630 -3.350 63 1HB SER 9 2HB SER 9 -12.349 -2.203 -2.238 64 2HB SER 9 1HB SER 9 -12.347 -2.101 -3.999 65 HG SER 9 HG SER 9 -10.030 -2.770 -2.523 66 HA PRO 10 HA PRO 10 -13.959 1.085 -5.683 67 1HB PRO 10 2HB PRO 10 -16.112 1.866 -4.173 68 2HB PRO 10 1HB PRO 10 -15.960 0.277 -4.927 69 1HG PRO 10 2HG PRO 10 -15.435 1.093 -2.101 70 2HG PRO 10 1HG PRO 10 -16.204 -0.379 -2.719 71 1HD PRO 10 2HD PRO 10 -13.646 -0.334 -1.860 72 2HD PRO 10 1HD PRO 10 -14.186 -1.391 -3.179 73 H ILE 11 H ILE 11 -15.039 2.837 -2.830 74 HA ILE 11 HA ILE 11 -13.157 4.999 -3.297 75 HB ILE 11 HB ILE 11 -15.191 6.623 -3.180 76 1HG1 ILE 11 2HG1 ILE 11 -16.741 4.539 -2.965 77 2HG1 ILE 11 1HG1 ILE 11 -17.254 5.892 -3.964 78 1HG2 ILE 11 1HG2 ILE 11 -15.377 6.118 -5.841 79 2HG2 ILE 11 2HG2 ILE 11 -13.861 5.314 -5.436 80 3HG2 ILE 11 3HG2 ILE 11 -14.075 7.026 -5.075 81 1HD1 ILE 11 1HD1 ILE 11 -17.212 4.674 -5.842 82 2HD1 ILE 11 2HD1 ILE 11 -17.299 3.306 -4.734 83 3HD1 ILE 11 3HD1 ILE 11 -15.742 3.817 -5.381 84 H SER 12 H SER 12 -12.975 6.455 -1.551 85 HA SER 12 HA SER 12 -14.698 6.170 0.747 86 1HB SER 12 2HB SER 12 -12.158 4.697 0.615 87 2HB SER 12 1HB SER 12 -12.373 5.652 2.082 88 HG SER 12 HG SER 12 -13.681 4.161 2.734 89 H ALA 13 H ALA 13 -11.262 6.957 0.988 90 HA ALA 13 HA ALA 13 -11.409 9.710 0.527 91 1HB ALA 13 1HB ALA 13 -11.292 10.423 2.992 92 2HB ALA 13 2HB ALA 13 -12.047 8.865 3.329 93 3HB ALA 13 3HB ALA 13 -12.872 10.042 2.307 94 H VAL 14 H VAL 14 -9.371 10.315 0.187 95 HA VAL 14 HA VAL 14 -7.241 9.003 1.743 96 HB VAL 14 HB VAL 14 -5.834 9.660 -0.393 97 1HG1 VAL 14 1HG1 VAL 14 -7.538 7.276 -0.845 98 2HG1 VAL 14 2HG1 VAL 14 -6.623 7.354 0.661 99 3HG1 VAL 14 3HG1 VAL 14 -5.783 7.441 -0.888 100 1HG2 VAL 14 1HG2 VAL 14 -8.565 9.204 -1.590 101 2HG2 VAL 14 2HG2 VAL 14 -7.057 9.465 -2.463 102 3HG2 VAL 14 3HG2 VAL 14 -7.761 10.769 -1.509 103 H THR 15 H THR 15 -6.466 11.514 -0.540 104 HA THR 15 HA THR 15 -5.496 13.543 -0.291 105 HB THR 15 HB THR 15 -6.704 15.159 1.006 106 HG1 THR 15 1HG THR 15 -6.885 14.003 2.946 107 1HG2 THR 15 1HG2 THR 15 -8.476 15.091 -0.307 108 2HG2 THR 15 2HG2 THR 15 -9.116 13.687 0.546 109 3HG2 THR 15 3HG2 THR 15 -7.997 13.467 -0.799 110 H CYS 16 H CYS 16 -4.504 15.116 1.370 111 HA CYS 16 HA CYS 16 -3.597 14.118 3.863 112 1HB CYS 16 2HB CYS 16 -2.270 12.824 1.972 113 2HB CYS 16 1HB CYS 16 -1.331 14.316 1.915 114 HA PRO 17 HA PRO 17 -3.242 18.490 4.499 115 1HB PRO 17 2HB PRO 17 -0.991 18.295 6.214 116 2HB PRO 17 1HB PRO 17 -2.687 18.407 6.687 117 1HG PRO 17 2HG PRO 17 -0.942 16.016 6.445 118 2HG PRO 17 1HG PRO 17 -2.303 16.315 7.542 119 1HD PRO 17 2HD PRO 17 -2.541 14.661 5.450 120 2HD PRO 17 1HD PRO 17 -3.881 15.719 5.942 121 HA PRO 18 HA PRO 18 -0.328 19.815 1.418 122 1HB PRO 18 2HB PRO 18 -0.188 22.234 3.165 123 2HB PRO 18 1HB PRO 18 -0.440 22.121 1.419 124 1HG PRO 18 2HG PRO 18 -2.479 22.628 3.049 125 2HG PRO 18 1HG PRO 18 -2.680 21.567 1.644 126 1HD PRO 18 2HD PRO 18 -2.484 20.871 4.534 127 2HD PRO 18 1HD PRO 18 -3.405 20.079 3.241 128 H GLY 19 H GLY 19 1.917 20.463 1.223 129 1HA GLY 19 2HA GLY 19 4.139 20.340 1.788 130 2HA GLY 19 1HA GLY 19 3.650 20.794 3.419 131 H GLU 20 H GLU 20 5.304 18.538 1.807 132 HA GLU 20 HA GLU 20 6.031 16.435 2.283 133 1HB GLU 20 2HB GLU 20 4.847 17.212 4.942 134 2HB GLU 20 1HB GLU 20 5.601 15.645 4.688 135 1HG GLU 20 2HG GLU 20 7.610 16.510 4.995 136 2HG GLU 20 1HG GLU 20 7.337 17.698 3.722 137 H ASN 21 H ASN 21 4.063 16.220 0.681 138 HA ASN 21 HA ASN 21 2.623 13.870 1.548 139 1HB ASN 21 2HB ASN 21 0.407 14.790 0.847 140 2HB ASN 21 1HB ASN 21 1.064 15.566 2.289 141 1HD2 ASN 21 1HD2 ASN 21 -0.779 16.349 -0.046 142 2HD2 ASN 21 2HD2 ASN 21 -0.187 17.905 -0.508 143 H LEU 22 H LEU 22 3.617 12.714 -0.059 144 HA LEU 22 HA LEU 22 3.143 13.615 -2.823 145 1HB LEU 22 2HB LEU 22 5.240 11.672 -1.864 146 2HB LEU 22 1HB LEU 22 5.070 12.317 -3.485 147 HG LEU 22 HG LEU 22 5.809 13.911 -1.028 148 1HD1 LEU 22 1HD1 LEU 22 7.905 14.160 -2.656 149 2HD1 LEU 22 2HD1 LEU 22 7.367 12.553 -3.144 150 3HD1 LEU 22 3HD1 LEU 22 7.776 12.871 -1.459 151 1HD2 LEU 22 1HD2 LEU 22 6.419 15.549 -3.004 152 2HD2 LEU 22 2HD2 LEU 22 4.796 15.508 -2.315 153 3HD2 LEU 22 3HD2 LEU 22 5.136 14.664 -3.826 154 H CYS 23 H CYS 23 1.274 12.086 -1.111 155 HA CYS 23 HA CYS 23 0.055 10.124 -1.082 156 1HB CYS 23 2HB CYS 23 -0.653 11.584 -3.059 157 2HB CYS 23 1HB CYS 23 0.217 10.433 -4.070 158 H TYR 24 H TYR 24 2.188 8.937 -0.406 159 HA TYR 24 HA TYR 24 3.332 7.286 -2.486 160 1HB TYR 24 2HB TYR 24 4.895 6.525 -0.868 161 2HB TYR 24 1HB TYR 24 4.677 8.246 -0.592 162 HD1 TYR 24 1HD TYR 24 1.809 7.399 0.766 163 HD2 TYR 24 2HD TYR 24 5.918 6.533 1.424 164 HE1 TYR 24 1HE TYR 24 1.332 6.973 3.139 165 HE2 TYR 24 2HE TYR 24 5.452 6.098 3.798 166 HH TYR 24 HH TYR 24 2.443 6.893 5.255 167 H ARG 25 H ARG 25 3.693 4.917 -1.972 168 HA ARG 25 HA ARG 25 2.015 3.343 -0.436 169 1HB ARG 25 2HB ARG 25 0.018 3.350 -1.443 170 2HB ARG 25 1HB ARG 25 0.595 4.552 -2.581 171 1HG ARG 25 2HG ARG 25 1.083 1.634 -3.048 172 2HG ARG 25 1HG ARG 25 -0.454 2.384 -3.472 173 1HD ARG 25 2HD ARG 25 0.806 4.048 -4.827 174 2HD ARG 25 1HD ARG 25 2.275 3.134 -4.498 175 HE ARG 25 HE ARG 25 0.032 1.733 -5.737 176 1HH1 ARG 25 1HH1 ARG 25 3.203 3.166 -6.076 177 2HH1 ARG 25 2HH1 ARG 25 3.541 2.355 -7.567 178 1HH2 ARG 25 1HH2 ARG 25 0.486 0.667 -7.690 179 2HH2 ARG 25 2HH2 ARG 25 2.002 0.937 -8.482 180 H LYS 26 H LYS 26 2.373 1.072 -0.861 181 HA LYS 26 HA LYS 26 4.073 0.426 -3.145 182 1HB LYS 26 2HB LYS 26 5.064 0.743 -0.477 183 2HB LYS 26 1HB LYS 26 5.261 -0.928 -0.973 184 1HG LYS 26 2HG LYS 26 6.067 1.019 -3.001 185 2HG LYS 26 1HG LYS 26 7.009 1.087 -1.509 186 1HD LYS 26 2HD LYS 26 7.045 -1.532 -1.812 187 2HD LYS 26 1HD LYS 26 6.753 -1.116 -3.501 188 1HE LYS 26 2HE LYS 26 8.785 -0.056 -3.732 189 2HE LYS 26 1HE LYS 26 8.918 0.291 -2.009 190 1HZ LYS 26 1HZ LYS 26 9.409 -2.008 -1.583 191 2HZ LYS 26 2HZ LYS 26 10.474 -1.433 -2.765 192 3HZ LYS 26 3HZ LYS 26 9.170 -2.414 -3.207 193 H MET 27 H MET 27 3.610 -1.430 -0.187 194 HA MET 27 HA MET 27 1.628 -3.012 -0.113 195 1HB MET 27 2HB MET 27 1.534 -4.715 -1.840 196 2HB MET 27 1HB MET 27 1.426 -3.136 -2.595 197 1HG MET 27 2HG MET 27 4.075 -3.520 -2.744 198 2HG MET 27 1HG MET 27 3.529 -5.195 -2.781 199 1HE MET 27 1HE MET 27 4.142 -4.944 -6.473 200 2HE MET 27 2HE MET 27 4.750 -5.410 -4.884 201 3HE MET 27 3HE MET 27 5.074 -3.795 -5.514 202 H TRP 28 H TRP 28 2.887 -5.694 -0.989 203 HA TRP 28 HA TRP 28 5.422 -5.871 0.249 204 1HB TRP 28 2HB TRP 28 3.286 -5.761 2.063 205 2HB TRP 28 1HB TRP 28 3.740 -7.460 1.987 206 HD1 TRP 28 HD TRP 28 6.145 -4.431 1.828 207 HE1 TRP 28 1HE TRP 28 7.815 -4.637 3.775 208 HE3 TRP 28 3HE TRP 28 4.188 -8.548 4.145 209 HZ2 TRP 28 2HZ TRP 28 8.246 -6.321 5.998 210 HZ3 TRP 28 3HZ TRP 28 5.290 -9.392 6.176 211 HH2 TRP 28 HH TRP 28 7.277 -8.301 7.083 212 H CYS 29 H CYS 29 5.995 -8.249 0.683 213 HA CYS 29 HA CYS 29 4.494 -10.341 -0.414 214 1HB CYS 29 2HB CYS 29 4.945 -9.031 -2.521 215 2HB CYS 29 1HB CYS 29 6.655 -9.394 -2.303 216 H ASP 30 H ASP 30 7.942 -9.655 -0.999 217 HA ASP 30 HA ASP 30 9.079 -10.759 1.234 218 1HB ASP 30 2HB ASP 30 7.791 -12.792 -0.323 219 2HB ASP 30 1HB ASP 30 9.531 -13.056 -0.376 220 H ALA 31 H ALA 31 9.760 -12.009 -2.015 221 HA ALA 31 HA ALA 31 11.764 -10.034 -2.565 222 1HB ALA 31 1HB ALA 31 13.539 -11.981 -2.710 223 2HB ALA 31 2HB ALA 31 12.535 -12.674 -1.436 224 3HB ALA 31 3HB ALA 31 13.273 -11.088 -1.214 225 H PHE 32 H PHE 32 11.823 -13.473 -3.431 226 HA PHE 32 HA PHE 32 11.484 -12.695 -6.232 227 1HB PHE 32 2HB PHE 32 12.452 -14.806 -6.814 228 2HB PHE 32 1HB PHE 32 13.435 -14.117 -5.526 229 HD1 PHE 32 1HD PHE 32 11.299 -16.849 -6.529 230 HD2 PHE 32 2HD PHE 32 13.265 -15.021 -3.227 231 HE1 PHE 32 1HE PHE 32 11.014 -18.913 -5.222 232 HE2 PHE 32 2HE PHE 32 12.984 -17.084 -1.914 233 HZ PHE 32 HZ PHE 32 11.857 -19.033 -2.913 234 H CYS 33 H CYS 33 9.306 -12.989 -4.147 235 HA CYS 33 HA CYS 33 7.764 -15.266 -4.948 236 1HB CYS 33 2HB CYS 33 5.913 -13.998 -3.674 237 2HB CYS 33 1HB CYS 33 7.306 -14.566 -2.761 238 H SER 34 H SER 34 6.479 -15.462 -6.647 239 HA SER 34 HA SER 34 6.238 -13.467 -8.612 240 1HB SER 34 2HB SER 34 4.900 -16.115 -8.152 241 2HB SER 34 1HB SER 34 4.353 -15.061 -9.456 242 HG SER 34 HG SER 34 6.478 -15.101 -10.283 243 H SER 35 H SER 35 4.420 -14.066 -5.755 244 HA SER 35 HA SER 35 2.080 -12.620 -6.678 245 1HB SER 35 2HB SER 35 1.061 -13.229 -4.637 246 2HB SER 35 1HB SER 35 2.056 -14.620 -5.067 247 HG SER 35 HG SER 35 3.698 -13.598 -3.675 248 H ARG 36 H ARG 36 4.136 -10.947 -6.980 249 HA ARG 36 HA ARG 36 4.788 -9.365 -4.730 250 1HB ARG 36 2HB ARG 36 5.535 -7.703 -6.449 251 2HB ARG 36 1HB ARG 36 6.219 -9.311 -6.649 252 1HG ARG 36 2HG ARG 36 5.344 -9.535 -8.677 253 2HG ARG 36 1HG ARG 36 3.754 -8.994 -8.135 254 1HD ARG 36 2HD ARG 36 4.668 -6.643 -8.204 255 2HD ARG 36 1HD ARG 36 6.082 -7.304 -9.023 256 HE ARG 36 HE ARG 36 4.852 -7.425 -10.938 257 1HH1 ARG 36 1HH1 ARG 36 2.657 -7.196 -8.235 258 2HH1 ARG 36 2HH1 ARG 36 1.247 -7.066 -9.231 259 1HH2 ARG 36 1HH2 ARG 36 2.999 -7.252 -12.250 260 2HH2 ARG 36 2HH2 ARG 36 1.440 -7.097 -11.510 261 H GLY 37 H GLY 37 2.706 -9.036 -3.740 262 1HA GLY 37 2HA GLY 37 1.625 -6.548 -3.988 263 2HA GLY 37 1HA GLY 37 0.690 -7.513 -5.116 264 H LYS 38 H LYS 38 -1.248 -7.499 -4.074 265 HA LYS 38 HA LYS 38 -2.865 -8.170 -2.629 266 1HB LYS 38 2HB LYS 38 -0.660 -10.061 -2.059 267 2HB LYS 38 1HB LYS 38 -1.918 -9.936 -0.837 268 1HG LYS 38 2HG LYS 38 -2.626 -11.674 -2.200 269 2HG LYS 38 1HG LYS 38 -3.559 -10.287 -2.764 270 1HD LYS 38 2HD LYS 38 -2.657 -10.402 -4.800 271 2HD LYS 38 1HD LYS 38 -1.022 -10.502 -4.146 272 1HE LYS 38 2HE LYS 38 -2.969 -12.746 -4.635 273 2HE LYS 38 1HE LYS 38 -1.396 -12.492 -5.387 274 1HZ LYS 38 1HZ LYS 38 -0.598 -12.654 -2.915 275 2HZ LYS 38 2HZ LYS 38 -0.873 -14.050 -3.829 276 3HZ LYS 38 3HZ LYS 38 -2.036 -13.523 -2.721 277 H VAL 39 H VAL 39 0.117 -8.124 -0.644 278 HA VAL 39 HA VAL 39 -1.051 -7.093 1.660 279 HB VAL 39 HB VAL 39 1.738 -6.276 0.917 280 1HG1 VAL 39 1HG1 VAL 39 1.600 -5.617 3.048 281 2HG1 VAL 39 2HG1 VAL 39 1.698 -7.327 3.465 282 3HG1 VAL 39 3HG1 VAL 39 0.125 -6.541 3.325 283 1HG2 VAL 39 1HG2 VAL 39 2.170 -8.414 0.346 284 2HG2 VAL 39 2HG2 VAL 39 0.711 -9.025 1.115 285 3HG2 VAL 39 3HG2 VAL 39 2.146 -8.690 2.085 286 H VAL 40 H VAL 40 -2.290 -5.365 1.676 287 HA VAL 40 HA VAL 40 -2.530 -3.323 -0.035 288 HB VAL 40 HB VAL 40 -2.876 -2.004 2.421 289 1HG1 VAL 40 1HG1 VAL 40 -4.901 -3.564 0.826 290 2HG1 VAL 40 2HG1 VAL 40 -4.327 -1.947 0.421 291 3HG1 VAL 40 3HG1 VAL 40 -5.223 -2.217 1.917 292 1HG2 VAL 40 1HG2 VAL 40 -4.032 -3.529 3.839 293 2HG2 VAL 40 2HG2 VAL 40 -2.470 -4.259 3.465 294 3HG2 VAL 40 3HG2 VAL 40 -3.926 -4.820 2.643 295 H GLU 41 H GLU 41 -2.010 -1.128 -0.105 296 HA GLU 41 HA GLU 41 0.812 -0.639 0.485 297 1HB GLU 41 2HB GLU 41 -1.093 0.780 -1.387 298 2HB GLU 41 1HB GLU 41 0.624 1.118 -1.233 299 1HG GLU 41 2HG GLU 41 0.775 -0.264 -2.992 300 2HG GLU 41 1HG GLU 41 0.723 -1.510 -1.745 301 H LEU 42 H LEU 42 0.809 2.151 0.298 302 HA LEU 42 HA LEU 42 -0.721 2.918 2.675 303 1HB LEU 42 2HB LEU 42 2.111 2.983 2.199 304 2HB LEU 42 1HB LEU 42 1.516 4.593 2.550 305 HG LEU 42 HG LEU 42 1.107 2.162 4.294 306 1HD1 LEU 42 1HD1 LEU 42 3.211 2.585 4.918 307 2HD1 LEU 42 2HD1 LEU 42 2.528 3.983 5.749 308 3HD1 LEU 42 3HD1 LEU 42 3.224 4.166 4.142 309 1HD2 LEU 42 1HD2 LEU 42 0.367 3.944 5.941 310 2HD2 LEU 42 2HD2 LEU 42 -0.748 3.571 4.626 311 3HD2 LEU 42 3HD2 LEU 42 0.244 5.027 4.556 312 H GLY 43 H GLY 43 -0.042 5.664 2.698 313 1HA GLY 43 2HA GLY 43 -0.718 6.766 0.110 314 2HA GLY 43 1HA GLY 43 -2.026 6.834 1.279 315 H CYS 44 H CYS 44 0.256 8.633 -0.091 316 HA CYS 44 HA CYS 44 1.254 10.619 0.353 317 1HB CYS 44 2HB CYS 44 -0.015 12.172 1.443 318 2HB CYS 44 1HB CYS 44 -1.221 10.905 1.242 319 H ALA 45 H ALA 45 3.143 11.154 1.163 320 HA ALA 45 HA ALA 45 3.852 10.360 3.894 321 1HB ALA 45 1HB ALA 45 4.832 9.091 1.530 322 2HB ALA 45 2HB ALA 45 5.200 8.734 3.216 323 3HB ALA 45 3HB ALA 45 6.160 9.919 2.336 324 H ALA 46 H ALA 46 6.540 11.093 3.796 325 HA ALA 46 HA ALA 46 6.477 13.916 2.982 326 1HB ALA 46 1HB ALA 46 7.563 14.548 5.081 327 2HB ALA 46 2HB ALA 46 7.454 12.880 5.638 328 3HB ALA 46 3HB ALA 46 5.984 13.814 5.363 329 H THR 47 H THR 47 7.807 11.339 1.999 330 HA THR 47 HA THR 47 10.198 12.468 1.089 331 HB THR 47 HB THR 47 10.400 10.849 3.598 332 HG1 THR 47 1HG THR 47 11.763 12.450 4.164 333 1HG2 THR 47 1HG2 THR 47 12.279 10.660 1.315 334 2HG2 THR 47 2HG2 THR 47 11.869 9.471 2.551 335 3HG2 THR 47 3HG2 THR 47 12.955 10.805 2.937 336 H CYS 48 H CYS 48 10.580 11.466 -0.774 337 HA CYS 48 HA CYS 48 9.308 8.957 -1.373 338 1HB CYS 48 2HB CYS 48 9.488 10.800 -3.040 339 2HB CYS 48 1HB CYS 48 11.230 10.554 -3.081 340 HA PRO 49 HA PRO 49 14.112 7.661 -2.000 341 1HB PRO 49 2HB PRO 49 15.261 8.825 0.366 342 2HB PRO 49 1HB PRO 49 15.750 9.059 -1.312 343 1HG PRO 49 2HG PRO 49 14.060 10.756 0.405 344 2HG PRO 49 1HG PRO 49 14.998 11.190 -1.034 345 1HD PRO 49 2HD PRO 49 12.313 11.078 -1.065 346 2HD PRO 49 1HD PRO 49 13.281 10.620 -2.478 347 H SER 50 H SER 50 12.612 5.964 -1.385 348 HA SER 50 HA SER 50 13.037 5.073 1.384 349 1HB SER 50 2HB SER 50 10.770 5.930 1.201 350 2HB SER 50 1HB SER 50 10.481 4.952 -0.236 351 HG SER 50 HG SER 50 9.766 4.171 1.980 352 H LYS 51 H LYS 51 13.902 4.433 -1.626 353 HA LYS 51 HA LYS 51 13.185 1.763 -2.116 354 1HB LYS 51 2HB LYS 51 15.699 3.226 -2.941 355 2HB LYS 51 1HB LYS 51 15.113 1.723 -3.640 356 1HG LYS 51 2HG LYS 51 13.494 2.749 -4.846 357 2HG LYS 51 1HG LYS 51 13.249 4.018 -3.645 358 1HD LYS 51 2HD LYS 51 15.890 4.093 -4.888 359 2HD LYS 51 1HD LYS 51 14.569 4.303 -6.039 360 1HE LYS 51 2HE LYS 51 13.642 6.034 -4.428 361 2HE LYS 51 1HE LYS 51 15.197 5.948 -3.601 362 1HZ LYS 51 1HZ LYS 51 16.205 6.450 -5.847 363 2HZ LYS 51 2HZ LYS 51 15.371 7.719 -5.103 364 3HZ LYS 51 3HZ LYS 51 14.646 6.856 -6.363 365 H LYS 52 H LYS 52 15.341 3.120 0.170 366 HA LYS 52 HA LYS 52 17.243 1.105 0.480 367 1HB LYS 52 2HB LYS 52 16.161 2.504 2.892 368 2HB LYS 52 1HB LYS 52 17.826 2.129 2.476 369 1HG LYS 52 2HG LYS 52 17.986 4.298 2.002 370 2HG LYS 52 1HG LYS 52 17.163 3.873 0.500 371 1HD LYS 52 2HD LYS 52 15.334 5.016 1.077 372 2HD LYS 52 1HD LYS 52 15.296 4.286 2.683 373 1HE LYS 52 2HE LYS 52 15.635 6.486 3.228 374 2HE LYS 52 1HE LYS 52 17.300 5.915 3.130 375 1HZ LYS 52 1HZ LYS 52 17.699 7.115 1.279 376 2HZ LYS 52 2HZ LYS 52 16.440 8.077 1.873 377 3HZ LYS 52 3HZ LYS 52 16.131 6.933 0.666 378 HA PRO 53 HA PRO 53 15.671 -2.438 2.628 379 1HB PRO 53 2HB PRO 53 16.334 -1.231 5.290 380 2HB PRO 53 1HB PRO 53 16.635 -2.868 4.694 381 1HG PRO 53 2HG PRO 53 18.608 -1.103 4.752 382 2HG PRO 53 1HG PRO 53 18.429 -2.200 3.369 383 1HD PRO 53 2HD PRO 53 17.806 0.704 3.581 384 2HD PRO 53 1HD PRO 53 18.387 -0.226 2.185 385 H TYR 54 H TYR 54 14.901 0.502 4.512 386 HA TYR 54 HA TYR 54 12.402 -0.522 5.468 387 1HB TYR 54 2HB TYR 54 12.355 2.336 5.461 388 2HB TYR 54 1HB TYR 54 12.615 1.250 6.826 389 HD1 TYR 54 1HD TYR 54 14.905 0.563 7.431 390 HD2 TYR 54 2HD TYR 54 14.162 3.497 4.451 391 HE1 TYR 54 1HE TYR 54 17.255 1.234 7.524 392 HE2 TYR 54 2HE TYR 54 16.506 4.192 4.537 393 HH TYR 54 HH TYR 54 18.403 4.084 6.321 394 H GLU 55 H GLU 55 11.890 -1.283 3.164 395 HA GLU 55 HA GLU 55 10.827 0.730 1.390 396 1HB GLU 55 2HB GLU 55 10.513 -2.265 1.174 397 2HB GLU 55 1HB GLU 55 10.374 -1.077 -0.115 398 1HG GLU 55 2HG GLU 55 12.756 -0.573 0.096 399 2HG GLU 55 1HG GLU 55 12.893 -1.776 1.379 400 H GLU 56 H GLU 56 8.575 -1.185 0.611 401 HA GLU 56 HA GLU 56 6.399 -1.602 1.126 402 1HB GLU 56 2HB GLU 56 7.379 -2.159 3.447 403 2HB GLU 56 1HB GLU 56 6.828 -0.557 3.915 404 1HG GLU 56 2HG GLU 56 4.539 -1.278 3.060 405 2HG GLU 56 1HG GLU 56 5.193 -2.916 3.053 406 H VAL 57 H VAL 57 7.650 1.062 0.379 407 HA VAL 57 HA VAL 57 5.309 2.521 0.039 408 HB VAL 57 HB VAL 57 6.198 4.503 1.612 409 1HG1 VAL 57 1HG1 VAL 57 4.075 2.582 1.658 410 2HG1 VAL 57 2HG1 VAL 57 4.070 4.261 2.188 411 3HG1 VAL 57 3HG1 VAL 57 4.551 2.986 3.307 412 1HG2 VAL 57 1HG2 VAL 57 7.910 2.699 2.485 413 2HG2 VAL 57 2HG2 VAL 57 6.543 2.216 3.489 414 3HG2 VAL 57 3HG2 VAL 57 7.169 3.861 3.587 415 H THR 58 H THR 58 5.582 4.221 -1.319 416 HA THR 58 HA THR 58 8.144 5.473 -1.719 417 HB THR 58 HB THR 58 8.404 3.389 -3.023 418 HG1 THR 58 1HG THR 58 9.455 5.162 -3.848 419 1HG2 THR 58 1HG2 THR 58 5.760 3.675 -3.705 420 2HG2 THR 58 2HG2 THR 58 6.912 2.559 -4.438 421 3HG2 THR 58 3HG2 THR 58 6.616 4.131 -5.178 422 H CYS 59 H CYS 59 7.942 7.464 -2.691 423 HA CYS 59 HA CYS 59 5.594 8.845 -2.586 424 1HB CYS 59 2HB CYS 59 6.616 10.544 -3.995 425 2HB CYS 59 1HB CYS 59 7.806 9.891 -2.867 426 H CYS 60 H CYS 60 3.751 8.816 -3.641 427 HA CYS 60 HA CYS 60 3.695 7.918 -6.441 428 1HB CYS 60 2HB CYS 60 2.687 6.470 -4.273 429 2HB CYS 60 1HB CYS 60 1.272 7.235 -4.978 430 H SER 61 H SER 61 3.818 10.568 -5.730 431 HA SER 61 HA SER 61 1.173 11.691 -5.547 432 1HB SER 61 2HB SER 61 2.215 13.764 -5.314 433 2HB SER 61 1HB SER 61 3.424 12.663 -4.647 434 HG SER 61 HG SER 61 3.857 14.379 -6.492 435 H THR 62 H THR 62 -0.100 12.387 -7.137 436 HA THR 62 HA THR 62 0.640 13.387 -9.614 437 HB THR 62 HB THR 62 0.395 10.415 -9.515 438 HG1 THR 62 1HG THR 62 2.345 11.767 -9.982 439 1HG2 THR 62 1HG2 THR 62 0.035 10.664 -12.116 440 2HG2 THR 62 2HG2 THR 62 -0.880 12.083 -11.608 441 3HG2 THR 62 3HG2 THR 62 -1.319 10.486 -11.001 442 H ASP 63 H ASP 63 -1.786 10.885 -8.934 443 HA ASP 63 HA ASP 63 -3.917 12.559 -8.280 444 1HB ASP 63 2HB ASP 63 -3.639 13.426 -10.579 445 2HB ASP 63 1HB ASP 63 -3.877 11.800 -11.210 446 H LYS 64 H LYS 64 -2.899 9.639 -9.954 447 HA LYS 64 HA LYS 64 -4.964 8.151 -8.489 448 1HB LYS 64 2HB LYS 64 -4.096 7.438 -11.288 449 2HB LYS 64 1HB LYS 64 -5.451 6.779 -10.373 450 1HG LYS 64 2HG LYS 64 -6.283 9.262 -10.411 451 2HG LYS 64 1HG LYS 64 -5.208 9.378 -11.805 452 1HD LYS 64 2HD LYS 64 -6.863 8.536 -13.037 453 2HD LYS 64 1HD LYS 64 -6.617 7.006 -12.193 454 1HE LYS 64 2HE LYS 64 -8.139 8.432 -10.412 455 2HE LYS 64 1HE LYS 64 -8.784 8.954 -11.967 456 1HZ LYS 64 1HZ LYS 64 -8.949 6.370 -10.668 457 2HZ LYS 64 2HZ LYS 64 -8.627 6.314 -12.328 458 3HZ LYS 64 3HZ LYS 64 -10.012 7.104 -11.763 459 H CYS 65 H CYS 65 -3.203 7.793 -6.976 460 HA CYS 65 HA CYS 65 -1.546 5.524 -7.817 461 1HB CYS 65 2HB CYS 65 -0.545 8.109 -7.333 462 2HB CYS 65 1HB CYS 65 -0.105 7.150 -5.928 463 H ASN 66 H ASN 66 -3.916 6.426 -5.836 464 HA ASN 66 HA ASN 66 -3.121 5.762 -3.246 465 1HB ASN 66 2HB ASN 66 -5.615 5.028 -3.032 466 2HB ASN 66 1HB ASN 66 -5.238 6.717 -3.338 467 1HD2 ASN 66 1HD2 ASN 66 -4.910 4.331 -5.856 468 2HD2 ASN 66 2HD2 ASN 66 -6.277 4.828 -6.774 469 HA PRO 67 HA PRO 67 -2.531 1.425 -2.720 470 1HB PRO 67 2HB PRO 67 -5.216 1.285 -1.398 471 2HB PRO 67 1HB PRO 67 -3.672 0.600 -0.876 472 1HG PRO 67 2HG PRO 67 -4.601 2.825 0.244 473 2HG PRO 67 1HG PRO 67 -2.873 2.645 -0.110 474 1HD PRO 67 2HD PRO 67 -4.930 4.284 -1.494 475 2HD PRO 67 1HD PRO 67 -3.191 4.579 -1.302 476 H HIS 68 H HIS 68 -3.325 -0.684 -3.421 477 HA HIS 68 HA HIS 68 -5.759 -1.070 -4.760 478 1HB HIS 68 2HB HIS 68 -4.021 0.484 -6.262 479 2HB HIS 68 1HB HIS 68 -3.798 -1.132 -6.921 480 HD1 HIS 68 1HD HIS 68 -4.963 0.527 -8.935 481 HD2 HIS 68 2HD HIS 68 -7.366 -1.093 -5.956 482 HE1 HIS 68 1HE HIS 68 -7.302 0.578 -9.856 483 HE2 HIS 68 2HE HIS 68 -8.728 -0.478 -8.068 484 HA PRO 69 HA PRO 69 -3.003 -4.732 -3.492 485 1HB PRO 69 2HB PRO 69 -5.764 -5.524 -2.672 486 2HB PRO 69 1HB PRO 69 -4.226 -5.791 -1.843 487 1HG PRO 69 2HG PRO 69 -5.909 -3.903 -1.005 488 2HG PRO 69 1HG PRO 69 -4.159 -3.633 -0.994 489 1HD PRO 69 2HD PRO 69 -6.230 -2.564 -2.847 490 2HD PRO 69 1HD PRO 69 -4.729 -1.810 -2.273 491 H LYS 70 H LYS 70 -2.635 -6.248 -5.034 492 HA LYS 70 HA LYS 70 -4.373 -6.464 -7.262 493 1HB LYS 70 2HB LYS 70 -2.827 -8.127 -8.118 494 2HB LYS 70 1HB LYS 70 -1.956 -6.737 -7.492 495 1HG LYS 70 2HG LYS 70 -0.729 -8.089 -6.256 496 2HG LYS 70 1HG LYS 70 -2.169 -8.590 -5.377 497 1HD LYS 70 2HD LYS 70 -0.980 -10.512 -6.318 498 2HD LYS 70 1HD LYS 70 -2.582 -10.335 -7.036 499 1HE LYS 70 2HE LYS 70 -1.686 -9.428 -9.030 500 2HE LYS 70 1HE LYS 70 -0.098 -9.210 -8.298 501 1HZ LYS 70 1HZ LYS 70 -0.783 -11.296 -9.832 502 2HZ LYS 70 2HZ LYS 70 -1.073 -11.933 -8.292 503 3HZ LYS 70 3HZ LYS 70 0.460 -11.333 -8.684 504 H GLN 71 H GLN 71 -3.636 -8.706 -4.576 505 HA GLN 71 HA GLN 71 -4.545 -10.874 -4.309 506 1HB GLN 71 2HB GLN 71 -5.428 -9.343 -2.630 507 2HB GLN 71 1HB GLN 71 -6.733 -8.878 -3.712 508 1HG GLN 71 2HG GLN 71 -6.785 -11.700 -3.451 509 2HG GLN 71 1HG GLN 71 -6.641 -11.005 -1.837 510 1HE2 GLN 71 1HE2 GLN 71 -8.863 -12.331 -3.444 511 2HE2 GLN 71 2HE2 GLN 71 -10.211 -11.271 -3.232 512 H ARG 72 H ARG 72 -4.553 -10.872 -6.943 513 HA ARG 72 HA ARG 72 -7.202 -11.016 -8.053 514 1HB ARG 72 2HB ARG 72 -4.668 -10.646 -9.097 515 2HB ARG 72 1HB ARG 72 -5.081 -12.271 -9.624 516 1HG ARG 72 2HG ARG 72 -6.158 -11.319 -11.315 517 2HG ARG 72 1HG ARG 72 -7.374 -10.818 -10.138 518 1HD ARG 72 2HD ARG 72 -4.970 -9.232 -11.031 519 2HD ARG 72 1HD ARG 72 -6.653 -8.916 -11.449 520 HE ARG 72 HE ARG 72 -6.110 -8.919 -8.617 521 1HH1 ARG 72 1HH1 ARG 72 -6.221 -6.996 -11.529 522 2HH1 ARG 72 2HH1 ARG 72 -6.434 -5.501 -10.683 523 1HH2 ARG 72 1HH2 ARG 72 -6.394 -6.949 -7.505 524 2HH2 ARG 72 2HH2 ARG 72 -6.529 -5.473 -8.401 525 HA PRO 73 HA PRO 73 -7.818 -15.289 -6.954 526 1HB PRO 73 2HB PRO 73 -10.150 -15.694 -8.221 527 2HB PRO 73 1HB PRO 73 -10.041 -14.664 -6.788 528 1HG PRO 73 2HG PRO 73 -10.149 -13.886 -9.676 529 2HG PRO 73 1HG PRO 73 -10.996 -13.169 -8.293 530 1HD PRO 73 2HD PRO 73 -8.717 -12.122 -9.386 531 2HD PRO 73 1HD PRO 73 -9.187 -11.898 -7.690 532 H GLY 74 H GLY 74 -8.915 -17.237 -8.425 533 1HA GLY 74 2HA GLY 74 -8.427 -18.800 -10.032 534 2HA GLY 74 1HA GLY 74 -8.275 -17.432 -11.130 535 1H TYR 181 1HT TYR 181 -6.447 -14.210 23.409 536 2H TYR 181 2HT TYR 181 -4.873 -13.625 23.050 537 3H TYR 181 3HT TYR 181 -5.570 -13.332 24.592 538 HA TYR 181 HA TYR 181 -4.110 -15.020 24.973 539 1HB TYR 181 2HB TYR 181 -6.488 -15.361 25.750 540 2HB TYR 181 1HB TYR 181 -6.726 -16.406 24.353 541 HD1 TYR 181 1HD TYR 181 -3.794 -16.136 26.636 542 HD2 TYR 181 2HD TYR 181 -7.012 -18.542 25.237 543 HE1 TYR 181 1HE TYR 181 -2.918 -18.043 27.919 544 HE2 TYR 181 2HE TYR 181 -6.147 -20.455 26.517 545 HH TYR 181 HH TYR 181 -4.065 -21.232 27.485 546 H ARG 182 H ARG 182 -6.197 -16.251 22.349 547 HA ARG 182 HA ARG 182 -4.467 -18.261 21.486 548 1HB ARG 182 2HB ARG 182 -6.838 -18.118 20.837 549 2HB ARG 182 1HB ARG 182 -6.480 -16.709 19.848 550 1HG ARG 182 2HG ARG 182 -6.632 -18.580 18.399 551 2HG ARG 182 1HG ARG 182 -4.926 -18.144 18.515 552 1HD ARG 182 2HD ARG 182 -4.865 -19.902 20.419 553 2HD ARG 182 1HD ARG 182 -6.367 -20.484 19.702 554 HE ARG 182 HE ARG 182 -3.711 -20.767 18.639 555 1HH1 ARG 182 1HH1 ARG 182 -7.113 -20.694 17.863 556 2HH1 ARG 182 2HH1 ARG 182 -6.930 -21.621 16.412 557 1HH2 ARG 182 1HH2 ARG 182 -3.467 -21.986 16.731 558 2HH2 ARG 182 2HH2 ARG 182 -4.860 -22.354 15.768 559 H GLY 183 H GLY 183 -2.768 -18.348 20.107 560 1HA GLY 183 2HA GLY 183 -1.140 -16.149 19.682 561 2HA GLY 183 1HA GLY 183 -1.050 -17.641 18.757 562 H TRP 184 H TRP 184 -1.889 -14.337 18.718 563 HA TRP 184 HA TRP 184 -3.250 -14.592 16.133 564 1HB TRP 184 2HB TRP 184 -4.069 -12.379 16.452 565 2HB TRP 184 1HB TRP 184 -4.258 -13.203 17.995 566 HD1 TRP 184 HD TRP 184 -2.404 -10.330 16.340 567 HE1 TRP 184 1HE TRP 184 -1.205 -8.948 18.151 568 HE3 TRP 184 3HE TRP 184 -3.140 -13.421 20.346 569 HZ2 TRP 184 2HZ TRP 184 -0.646 -9.141 20.911 570 HZ3 TRP 184 3HZ TRP 184 -2.241 -12.749 22.535 571 HH2 TRP 184 HH TRP 184 -1.021 -10.653 22.811 572 H LYS 185 H LYS 185 -2.578 -13.363 14.320 573 HA LYS 185 HA LYS 185 -0.319 -11.707 14.243 574 1HB LYS 185 2HB LYS 185 0.908 -13.759 14.797 575 2HB LYS 185 1HB LYS 185 0.214 -14.560 13.394 576 1HG LYS 185 2HG LYS 185 1.896 -13.839 12.157 577 2HG LYS 185 1HG LYS 185 1.418 -12.172 12.483 578 1HD LYS 185 2HD LYS 185 3.149 -13.806 14.331 579 2HD LYS 185 1HD LYS 185 3.790 -12.736 13.083 580 1HE LYS 185 2HE LYS 185 2.006 -11.917 15.374 581 2HE LYS 185 1HE LYS 185 3.743 -11.638 15.267 582 1HZ LYS 185 1HZ LYS 185 2.633 -9.654 14.624 583 2HZ LYS 185 2HZ LYS 185 1.635 -10.477 13.533 584 3HZ LYS 185 3HZ LYS 185 3.291 -10.332 13.220 585 H HIS 186 H HIS 186 -0.100 -10.736 12.268 586 HA HIS 186 HA HIS 186 -2.202 -11.232 10.362 587 1HB HIS 186 2HB HIS 186 -1.105 -9.294 9.137 588 2HB HIS 186 1HB HIS 186 -1.710 -8.941 10.757 589 HD1 HIS 186 1HD HIS 186 1.614 -10.005 9.213 590 HD2 HIS 186 2HD HIS 186 0.095 -7.586 12.231 591 HE1 HIS 186 1HE HIS 186 3.610 -8.863 10.229 592 HE2 HIS 186 2HE HIS 186 2.675 -7.477 12.114 593 H TRP 187 H TRP 187 -1.154 -13.499 10.126 594 HA TRP 187 HA TRP 187 1.199 -13.902 8.691 595 1HB TRP 187 2HB TRP 187 -0.521 -15.571 9.837 596 2HB TRP 187 1HB TRP 187 -1.123 -15.707 8.188 597 HD1 TRP 187 HD TRP 187 1.464 -17.081 10.449 598 HE1 TRP 187 1HE TRP 187 3.112 -18.559 9.137 599 HE3 TRP 187 3HE TRP 187 0.139 -15.750 5.693 600 HZ2 TRP 187 2HZ TRP 187 3.765 -19.091 6.444 601 HZ3 TRP 187 3HZ TRP 187 1.326 -16.790 3.803 602 HH2 TRP 187 HH TRP 187 3.102 -18.426 4.173 603 H VAL 188 H VAL 188 -2.078 -14.218 7.301 604 HA VAL 188 HA VAL 188 -1.047 -13.780 4.648 605 HB VAL 188 HB VAL 188 -2.756 -15.412 4.818 606 1HG1 VAL 188 1HG1 VAL 188 -3.993 -15.217 6.689 607 2HG1 VAL 188 2HG1 VAL 188 -5.108 -14.360 5.626 608 3HG1 VAL 188 3HG1 VAL 188 -3.985 -13.454 6.640 609 1HG2 VAL 188 1HG2 VAL 188 -2.933 -13.366 3.070 610 2HG2 VAL 188 2HG2 VAL 188 -4.526 -13.281 3.823 611 3HG2 VAL 188 3HG2 VAL 188 -3.995 -14.774 3.048 612 H TYR 189 H TYR 189 -0.929 -11.870 3.650 613 HA TYR 189 HA TYR 189 -1.983 -9.507 4.928 614 1HB TYR 189 2HB TYR 189 -0.772 -9.255 2.256 615 2HB TYR 189 1HB TYR 189 -0.426 -8.369 3.738 616 HD1 TYR 189 1HD TYR 189 0.500 -11.182 1.629 617 HD2 TYR 189 2HD TYR 189 1.202 -9.271 5.365 618 HE1 TYR 189 1HE TYR 189 2.583 -12.461 1.882 619 HE2 TYR 189 2HE TYR 189 3.290 -10.547 5.630 620 HH TYR 189 HH TYR 189 4.626 -12.444 3.055 621 H TYR 190 H TYR 190 -3.743 -8.363 4.295 622 HA TYR 190 HA TYR 190 -4.854 -8.628 1.657 623 1HB TYR 190 2HB TYR 190 -5.782 -10.643 2.603 624 2HB TYR 190 1HB TYR 190 -6.325 -9.774 4.037 625 HD1 TYR 190 1HD TYR 190 -8.258 -8.250 3.903 626 HD2 TYR 190 2HD TYR 190 -7.040 -10.587 0.562 627 HE1 TYR 190 1HE TYR 190 -10.432 -7.840 2.830 628 HE2 TYR 190 2HE TYR 190 -9.213 -10.183 -0.520 629 HH TYR 190 HH TYR 190 -11.418 -7.839 0.606 630 H THR 191 H THR 191 -5.997 -6.875 1.094 631 HA THR 191 HA THR 191 -5.863 -4.462 2.175 632 HB THR 191 HB THR 191 -6.995 -5.020 0.031 633 HG1 THR 191 1HG THR 191 -8.519 -3.321 1.710 634 1HG2 THR 191 1HG2 THR 191 -9.565 -5.164 0.277 635 2HG2 THR 191 2HG2 THR 191 -9.197 -5.857 1.856 636 3HG2 THR 191 3HG2 THR 191 -8.591 -6.630 0.390 637 H CYS 192 H CYS 192 -6.799 -3.170 3.674 638 HA CYS 192 HA CYS 192 -8.214 -4.522 5.831 639 1HB CYS 192 2HB CYS 192 -6.616 -3.174 6.794 640 2HB CYS 192 1HB CYS 192 -6.741 -1.947 5.549 641 H CYS 193 H CYS 193 -9.806 -3.286 6.967 642 HA CYS 193 HA CYS 193 -12.039 -2.684 6.984 643 1HB CYS 193 2HB CYS 193 -11.798 -0.175 5.842 644 2HB CYS 193 1HB CYS 193 -11.415 -0.591 7.508 645 HA PRO 194 HA PRO 194 -13.341 -3.901 2.721 646 1HB PRO 194 2HB PRO 194 -15.781 -4.571 4.272 647 2HB PRO 194 1HB PRO 194 -14.882 -5.551 3.108 648 1HG PRO 194 2HG PRO 194 -14.753 -6.066 5.723 649 2HG PRO 194 1HG PRO 194 -13.327 -6.234 4.682 650 1HD PRO 194 2HD PRO 194 -14.032 -4.041 6.592 651 2HD PRO 194 1HD PRO 194 -12.453 -4.785 6.261 652 H ASP 195 H ASP 195 -14.650 -2.797 1.298 653 HA ASP 195 HA ASP 195 -16.442 -0.750 2.418 654 1HB ASP 195 2HB ASP 195 -14.277 -0.402 0.366 655 2HB ASP 195 1HB ASP 195 -15.677 0.671 0.386 656 H THR 196 H THR 196 -16.543 -3.484 0.864 657 HA THR 196 HA THR 196 -18.582 -2.569 -1.075 658 HB THR 196 HB THR 196 -17.238 -5.190 -1.501 659 HG1 THR 196 1HG THR 196 -15.983 -2.688 -1.881 660 1HG2 THR 196 1HG2 THR 196 -17.569 -3.169 -3.630 661 2HG2 THR 196 2HG2 THR 196 -19.031 -3.893 -2.960 662 3HG2 THR 196 3HG2 THR 196 -17.787 -4.918 -3.675 663 HA PRO 197 HA PRO 197 -20.324 -5.903 1.839 664 1HB PRO 197 2HB PRO 197 -21.422 -4.455 3.822 665 2HB PRO 197 1HB PRO 197 -19.740 -4.995 3.912 666 1HG PRO 197 2HG PRO 197 -20.831 -2.313 3.149 667 2HG PRO 197 1HG PRO 197 -19.446 -2.703 4.186 668 1HD PRO 197 2HD PRO 197 -19.212 -1.964 1.561 669 2HD PRO 197 1HD PRO 197 -18.037 -2.995 2.402 670 H TYR 198 H TYR 198 -20.908 -3.646 -0.218 671 HA TYR 198 HA TYR 198 -23.662 -2.991 0.064 672 1HB TYR 198 2HB TYR 198 -21.834 -1.596 -1.005 673 2HB TYR 198 1HB TYR 198 -21.849 -2.740 -2.349 674 HD1 TYR 198 1HD TYR 198 -24.242 -3.137 -3.422 675 HD2 TYR 198 2HD TYR 198 -23.157 0.297 -1.158 676 HE1 TYR 198 1HE TYR 198 -26.063 -1.872 -4.482 677 HE2 TYR 198 2HE TYR 198 -24.975 1.573 -2.212 678 HH TYR 198 HH TYR 198 -26.310 1.099 -4.777 Start of MODEL 7 1 1H ILE 1 1HT ILE 1 -4.897 16.905 -6.627 2 2H ILE 1 2HT ILE 1 -6.264 16.240 -7.423 3 3H ILE 1 3HT ILE 1 -5.001 16.957 -8.338 4 HA ILE 1 HA ILE 1 -4.730 14.695 -8.546 5 HB ILE 1 HB ILE 1 -2.853 15.726 -6.412 6 1HG1 ILE 1 2HG1 ILE 1 -1.451 15.829 -8.706 7 2HG1 ILE 1 1HG1 ILE 1 -3.071 16.085 -9.349 8 1HG2 ILE 1 1HG2 ILE 1 -1.893 13.725 -6.404 9 2HG2 ILE 1 2HG2 ILE 1 -1.564 13.893 -8.129 10 3HG2 ILE 1 3HG2 ILE 1 -3.059 13.132 -7.587 11 1HD1 ILE 1 1HD1 ILE 1 -2.446 18.234 -8.961 12 2HD1 ILE 1 2HD1 ILE 1 -1.434 17.811 -7.581 13 3HD1 ILE 1 3HD1 ILE 1 -3.188 17.857 -7.407 14 H VAL 2 H VAL 2 -3.980 14.960 -5.090 15 HA VAL 2 HA VAL 2 -4.370 13.517 -3.371 16 HB VAL 2 HB VAL 2 -6.720 13.137 -2.832 17 1HG1 VAL 2 1HG1 VAL 2 -5.900 15.261 -2.211 18 2HG1 VAL 2 2HG1 VAL 2 -7.470 15.549 -2.959 19 3HG1 VAL 2 3HG1 VAL 2 -5.991 15.865 -3.865 20 1HG2 VAL 2 1HG2 VAL 2 -7.428 12.642 -5.183 21 2HG2 VAL 2 2HG2 VAL 2 -7.391 14.377 -5.495 22 3HG2 VAL 2 3HG2 VAL 2 -8.508 13.719 -4.299 23 H CYS 3 H CYS 3 -5.739 11.378 -2.778 24 HA CYS 3 HA CYS 3 -5.354 9.473 -4.976 25 1HB CYS 3 2HB CYS 3 -4.599 9.053 -2.082 26 2HB CYS 3 1HB CYS 3 -4.353 7.912 -3.406 27 H HIS 4 H HIS 4 -6.054 7.387 -2.756 28 HA HIS 4 HA HIS 4 -8.960 7.774 -2.971 29 1HB HIS 4 2HB HIS 4 -7.233 5.319 -3.021 30 2HB HIS 4 1HB HIS 4 -8.918 5.198 -2.511 31 HD1 HIS 4 1HD HIS 4 -8.249 7.679 -5.155 32 HD2 HIS 4 2HD HIS 4 -9.326 3.673 -4.907 33 HE1 HIS 4 1HE HIS 4 -9.097 7.069 -7.443 34 HE2 HIS 4 2HE HIS 4 -9.793 4.653 -7.256 35 H THR 5 H THR 5 -7.553 5.350 -0.876 36 HA THR 5 HA THR 5 -7.931 7.028 1.469 37 HB THR 5 HB THR 5 -10.113 5.804 0.859 38 HG1 THR 5 1HG THR 5 -9.495 6.724 2.958 39 1HG2 THR 5 1HG2 THR 5 -8.578 3.561 0.785 40 2HG2 THR 5 2HG2 THR 5 -10.327 3.594 1.014 41 3HG2 THR 5 3HG2 THR 5 -9.256 3.489 2.412 42 H THR 6 H THR 6 -6.793 6.374 3.274 43 HA THR 6 HA THR 6 -4.769 4.314 2.756 44 HB THR 6 HB THR 6 -3.641 5.464 4.772 45 HG1 THR 6 1HG THR 6 -5.302 6.701 5.538 46 1HG2 THR 6 1HG2 THR 6 -3.233 7.606 3.204 47 2HG2 THR 6 2HG2 THR 6 -3.865 6.464 2.018 48 3HG2 THR 6 3HG2 THR 6 -2.440 6.049 2.970 49 H ALA 7 H ALA 7 -6.341 2.638 3.294 50 HA ALA 7 HA ALA 7 -6.020 1.661 5.903 51 1HB ALA 7 1HB ALA 7 -7.830 3.629 6.015 52 2HB ALA 7 2HB ALA 7 -7.893 2.205 7.053 53 3HB ALA 7 3HB ALA 7 -8.894 2.284 5.604 54 H THR 8 H THR 8 -8.835 1.650 3.717 55 HA THR 8 HA THR 8 -8.193 -0.928 2.646 56 HB THR 8 HB THR 8 -10.596 -1.701 3.600 57 HG1 THR 8 1HG THR 8 -9.431 -0.231 5.724 58 1HG2 THR 8 1HG2 THR 8 -9.416 -3.339 4.497 59 2HG2 THR 8 2HG2 THR 8 -8.666 -2.244 5.658 60 3HG2 THR 8 3HG2 THR 8 -7.958 -2.450 4.056 61 H SER 9 H SER 9 -9.474 -1.470 0.871 62 HA SER 9 HA SER 9 -10.745 -1.060 -0.971 63 1HB SER 9 2HB SER 9 -12.410 -0.545 1.314 64 2HB SER 9 1HB SER 9 -12.841 0.571 0.018 65 HG SER 9 HG SER 9 -13.220 -2.133 0.202 66 HA PRO 10 HA PRO 10 -9.948 2.999 -2.505 67 1HB PRO 10 2HB PRO 10 -11.954 3.473 -4.264 68 2HB PRO 10 1HB PRO 10 -10.692 2.272 -4.550 69 1HG PRO 10 2HG PRO 10 -13.521 1.888 -3.757 70 2HG PRO 10 1HG PRO 10 -12.459 0.830 -4.696 71 1HD PRO 10 2HD PRO 10 -13.128 0.548 -1.981 72 2HD PRO 10 1HD PRO 10 -11.841 -0.312 -2.845 73 H ILE 11 H ILE 11 -13.388 3.577 -2.882 74 HA ILE 11 HA ILE 11 -14.842 5.022 -1.901 75 HB ILE 11 HB ILE 11 -12.947 5.356 0.409 76 1HG1 ILE 11 2HG1 ILE 11 -14.914 3.369 0.979 77 2HG1 ILE 11 1HG1 ILE 11 -14.094 2.903 -0.508 78 1HG2 ILE 11 1HG2 ILE 11 -15.917 5.611 0.030 79 2HG2 ILE 11 2HG2 ILE 11 -14.767 6.846 0.538 80 3HG2 ILE 11 3HG2 ILE 11 -15.168 5.515 1.623 81 1HD1 ILE 11 1HD1 ILE 11 -12.231 2.350 0.574 82 2HD1 ILE 11 2HD1 ILE 11 -13.223 2.391 2.031 83 3HD1 ILE 11 3HD1 ILE 11 -12.269 3.802 1.571 84 H SER 12 H SER 12 -11.542 6.154 -1.090 85 HA SER 12 HA SER 12 -10.441 8.043 -1.801 86 1HB SER 12 2HB SER 12 -12.934 9.243 -2.955 87 2HB SER 12 1HB SER 12 -11.258 9.461 -3.456 88 HG SER 12 HG SER 12 -11.348 7.203 -4.120 89 H ALA 13 H ALA 13 -9.943 9.146 -0.044 90 HA ALA 13 HA ALA 13 -11.671 11.193 0.959 91 1HB ALA 13 1HB ALA 13 -12.246 8.795 2.031 92 2HB ALA 13 2HB ALA 13 -12.433 10.322 2.894 93 3HB ALA 13 3HB ALA 13 -10.991 9.337 3.145 94 H VAL 14 H VAL 14 -8.705 9.313 1.236 95 HA VAL 14 HA VAL 14 -7.253 10.574 3.134 96 HB VAL 14 HB VAL 14 -5.235 10.362 1.525 97 1HG1 VAL 14 1HG1 VAL 14 -5.210 8.663 3.006 98 2HG1 VAL 14 2HG1 VAL 14 -5.706 7.715 1.604 99 3HG1 VAL 14 3HG1 VAL 14 -6.913 8.280 2.760 100 1HG2 VAL 14 1HG2 VAL 14 -7.371 9.878 -0.302 101 2HG2 VAL 14 2HG2 VAL 14 -6.416 8.404 -0.141 102 3HG2 VAL 14 3HG2 VAL 14 -5.637 9.911 -0.612 103 H THR 15 H THR 15 -6.399 11.650 -0.126 104 HA THR 15 HA THR 15 -5.793 13.683 -0.920 105 HB THR 15 HB THR 15 -7.454 15.403 -0.755 106 HG1 THR 15 1HG THR 15 -7.776 15.411 1.476 107 1HG2 THR 15 1HG2 THR 15 -8.396 12.627 -1.005 108 2HG2 THR 15 2HG2 THR 15 -8.543 13.988 -2.117 109 3HG2 THR 15 3HG2 THR 15 -9.634 13.855 -0.739 110 H CYS 16 H CYS 16 -3.877 14.369 -0.166 111 HA CYS 16 HA CYS 16 -3.931 16.134 2.164 112 1HB CYS 16 2HB CYS 16 -1.918 15.183 3.121 113 2HB CYS 16 1HB CYS 16 -3.144 13.926 2.966 114 HA PRO 17 HA PRO 17 -1.541 17.559 -1.742 115 1HB PRO 17 2HB PRO 17 -3.513 19.758 -1.606 116 2HB PRO 17 1HB PRO 17 -2.933 18.848 -3.004 117 1HG PRO 17 2HG PRO 17 -5.388 18.470 -2.011 118 2HG PRO 17 1HG PRO 17 -4.438 17.130 -2.676 119 1HD PRO 17 2HD PRO 17 -4.964 17.852 0.174 120 2HD PRO 17 1HD PRO 17 -4.861 16.258 -0.591 121 HA PRO 18 HA PRO 18 -1.549 21.837 0.985 122 1HB PRO 18 2HB PRO 18 -1.904 20.105 3.413 123 2HB PRO 18 1HB PRO 18 -2.259 21.827 3.208 124 1HG PRO 18 2HG PRO 18 -4.211 20.030 3.058 125 2HG PRO 18 1HG PRO 18 -4.173 21.419 1.956 126 1HD PRO 18 2HD PRO 18 -3.626 18.563 1.411 127 2HD PRO 18 1HD PRO 18 -4.181 19.835 0.306 128 H GLY 19 H GLY 19 -0.397 18.695 2.220 129 1HA GLY 19 2HA GLY 19 2.263 19.918 2.569 130 2HA GLY 19 1HA GLY 19 1.689 18.491 3.424 131 H GLU 20 H GLU 20 3.096 16.983 2.872 132 HA GLU 20 HA GLU 20 4.675 16.580 0.788 133 1HB GLU 20 2HB GLU 20 4.540 14.172 1.158 134 2HB GLU 20 1HB GLU 20 4.570 15.057 2.676 135 1HG GLU 20 2HG GLU 20 2.092 13.969 1.360 136 2HG GLU 20 1HG GLU 20 2.977 13.186 2.663 137 H ASN 21 H ASN 21 1.342 15.750 0.781 138 HA ASN 21 HA ASN 21 -0.183 15.576 -0.919 139 1HB ASN 21 2HB ASN 21 0.211 16.621 -2.886 140 2HB ASN 21 1HB ASN 21 1.691 17.153 -2.094 141 1HD2 ASN 21 1HD2 ASN 21 3.419 16.947 -3.299 142 2HD2 ASN 21 2HD2 ASN 21 3.692 15.743 -4.508 143 H LEU 22 H LEU 22 2.914 13.993 -1.766 144 HA LEU 22 HA LEU 22 1.797 11.802 -3.119 145 1HB LEU 22 2HB LEU 22 4.279 11.452 -1.495 146 2HB LEU 22 1HB LEU 22 3.914 10.866 -3.106 147 HG LEU 22 HG LEU 22 3.943 13.603 -3.452 148 1HD1 LEU 22 1HD1 LEU 22 6.430 13.081 -1.908 149 2HD1 LEU 22 2HD1 LEU 22 4.959 13.495 -1.029 150 3HD1 LEU 22 3HD1 LEU 22 5.602 14.602 -2.242 151 1HD2 LEU 22 1HD2 LEU 22 5.318 12.965 -5.075 152 2HD2 LEU 22 2HD2 LEU 22 5.313 11.343 -4.384 153 3HD2 LEU 22 3HD2 LEU 22 6.557 12.499 -3.910 154 H CYS 23 H CYS 23 0.480 10.275 -2.358 155 HA CYS 23 HA CYS 23 0.094 9.911 0.463 156 1HB CYS 23 2HB CYS 23 -1.123 8.236 -1.716 157 2HB CYS 23 1HB CYS 23 -1.770 8.583 -0.113 158 H TYR 24 H TYR 24 2.735 9.101 -0.254 159 HA TYR 24 HA TYR 24 4.197 7.334 -0.183 160 1HB TYR 24 2HB TYR 24 2.429 7.296 2.096 161 2HB TYR 24 1HB TYR 24 2.945 5.659 1.713 162 HD1 TYR 24 1HD TYR 24 5.708 6.433 0.622 163 HD2 TYR 24 2HD TYR 24 3.601 7.546 4.149 164 HE1 TYR 24 1HE TYR 24 7.847 6.842 1.764 165 HE2 TYR 24 2HE TYR 24 5.737 7.957 5.300 166 HH TYR 24 HH TYR 24 8.285 6.952 4.873 167 H ARG 25 H ARG 25 3.882 4.611 0.375 168 HA ARG 25 HA ARG 25 1.828 3.330 -1.010 169 1HB ARG 25 2HB ARG 25 3.820 4.511 -2.725 170 2HB ARG 25 1HB ARG 25 3.840 2.762 -2.898 171 1HG ARG 25 2HG ARG 25 1.191 3.217 -3.008 172 2HG ARG 25 1HG ARG 25 1.802 4.721 -3.700 173 1HD ARG 25 2HD ARG 25 3.349 2.944 -5.000 174 2HD ARG 25 1HD ARG 25 1.905 1.964 -4.754 175 HE ARG 25 HE ARG 25 1.134 4.467 -5.751 176 1HH1 ARG 25 1HH1 ARG 25 2.824 1.594 -6.781 177 2HH1 ARG 25 2HH1 ARG 25 2.405 1.793 -8.448 178 1HH2 ARG 25 1HH2 ARG 25 0.581 4.731 -7.947 179 2HH2 ARG 25 2HH2 ARG 25 1.132 3.574 -9.111 180 H LYS 26 H LYS 26 2.076 1.901 0.724 181 HA LYS 26 HA LYS 26 4.587 0.505 1.088 182 1HB LYS 26 2HB LYS 26 2.017 0.699 2.532 183 2HB LYS 26 1HB LYS 26 2.841 -0.849 2.657 184 1HG LYS 26 2HG LYS 26 4.823 1.068 3.075 185 2HG LYS 26 1HG LYS 26 3.416 1.645 3.970 186 1HD LYS 26 2HD LYS 26 4.659 -1.097 4.192 187 2HD LYS 26 1HD LYS 26 4.826 0.214 5.362 188 1HE LYS 26 2HE LYS 26 2.430 0.166 5.784 189 2HE LYS 26 1HE LYS 26 2.227 -1.099 4.572 190 1HZ LYS 26 1HZ LYS 26 3.073 -2.675 5.938 191 2HZ LYS 26 2HZ LYS 26 2.476 -1.635 7.132 192 3HZ LYS 26 3HZ LYS 26 4.120 -1.611 6.734 193 H MET 27 H MET 27 5.124 -1.042 -0.306 194 HA MET 27 HA MET 27 3.064 -3.002 -1.058 195 1HB MET 27 2HB MET 27 3.895 -1.215 -2.846 196 2HB MET 27 1HB MET 27 5.213 -2.366 -3.018 197 1HG MET 27 2HG MET 27 3.889 -3.965 -3.940 198 2HG MET 27 1HG MET 27 2.447 -3.425 -3.080 199 1HE MET 27 1HE MET 27 4.094 -0.702 -6.384 200 2HE MET 27 2HE MET 27 4.996 -2.153 -5.951 201 3HE MET 27 3HE MET 27 4.724 -0.893 -4.748 202 H TRP 28 H TRP 28 3.789 -4.511 0.414 203 HA TRP 28 HA TRP 28 6.506 -5.252 0.740 204 1HB TRP 28 2HB TRP 28 4.079 -5.840 1.996 205 2HB TRP 28 1HB TRP 28 4.628 -7.385 1.357 206 HD1 TRP 28 HD TRP 28 4.544 -6.435 4.516 207 HE1 TRP 28 1HE TRP 28 6.701 -6.728 5.888 208 HE3 TRP 28 3HE TRP 28 7.918 -6.710 0.682 209 HZ2 TRP 28 2HZ TRP 28 9.464 -7.035 5.411 210 HZ3 TRP 28 3HZ TRP 28 10.299 -7.005 1.227 211 HH2 TRP 28 HH TRP 28 11.054 -7.164 3.544 212 H CYS 29 H CYS 29 6.328 -8.095 0.582 213 HA CYS 29 HA CYS 29 5.788 -8.706 -2.212 214 1HB CYS 29 2HB CYS 29 8.545 -8.834 -0.979 215 2HB CYS 29 1HB CYS 29 8.109 -9.681 -2.462 216 H ASP 30 H ASP 30 5.900 -10.992 -2.680 217 HA ASP 30 HA ASP 30 5.948 -12.748 -0.333 218 1HB ASP 30 2HB ASP 30 3.567 -11.925 -1.194 219 2HB ASP 30 1HB ASP 30 3.813 -13.220 -2.362 220 H ALA 31 H ALA 31 7.273 -14.393 -0.706 221 HA ALA 31 HA ALA 31 8.490 -16.002 -1.762 222 1HB ALA 31 1HB ALA 31 6.846 -16.038 -4.207 223 2HB ALA 31 2HB ALA 31 5.980 -16.329 -2.698 224 3HB ALA 31 3HB ALA 31 7.338 -17.359 -3.149 225 H PHE 32 H PHE 32 10.302 -14.709 -2.087 226 HA PHE 32 HA PHE 32 11.838 -13.430 -3.194 227 1HB PHE 32 2HB PHE 32 12.132 -14.245 -5.649 228 2HB PHE 32 1HB PHE 32 12.443 -15.366 -4.328 229 HD1 PHE 32 1HD PHE 32 10.811 -17.135 -3.799 230 HD2 PHE 32 2HD PHE 32 10.362 -14.604 -7.191 231 HE1 PHE 32 1HE PHE 32 9.198 -18.722 -4.765 232 HE2 PHE 32 2HE PHE 32 8.748 -16.186 -8.163 233 HZ PHE 32 HZ PHE 32 8.163 -18.248 -6.950 234 H CYS 33 H CYS 33 9.154 -12.302 -3.115 235 HA CYS 33 HA CYS 33 7.831 -10.712 -4.087 236 1HB CYS 33 2HB CYS 33 9.990 -9.542 -3.393 237 2HB CYS 33 1HB CYS 33 10.436 -9.576 -5.097 238 H SER 34 H SER 34 7.510 -12.748 -5.656 239 HA SER 34 HA SER 34 7.237 -11.580 -8.278 240 1HB SER 34 2HB SER 34 9.561 -12.938 -7.912 241 2HB SER 34 1HB SER 34 8.504 -14.249 -8.435 242 HG SER 34 HG SER 34 7.924 -12.773 -10.216 243 H SER 35 H SER 35 5.567 -12.616 -6.094 244 HA SER 35 HA SER 35 3.971 -14.480 -7.693 245 1HB SER 35 2HB SER 35 4.806 -14.865 -4.815 246 2HB SER 35 1HB SER 35 3.432 -15.711 -5.527 247 HG SER 35 HG SER 35 6.025 -15.775 -6.661 248 H ARG 36 H ARG 36 3.658 -11.704 -7.367 249 HA ARG 36 HA ARG 36 2.327 -10.053 -6.412 250 1HB ARG 36 2HB ARG 36 1.073 -11.909 -8.213 251 2HB ARG 36 1HB ARG 36 -0.123 -11.191 -7.144 252 1HG ARG 36 2HG ARG 36 -0.141 -9.379 -8.417 253 2HG ARG 36 1HG ARG 36 1.554 -9.101 -8.015 254 1HD ARG 36 2HD ARG 36 2.317 -10.081 -9.947 255 2HD ARG 36 1HD ARG 36 0.885 -11.095 -10.123 256 HE ARG 36 HE ARG 36 -0.086 -8.602 -10.494 257 1HH1 ARG 36 1HH1 ARG 36 2.584 -10.349 -11.908 258 2HH1 ARG 36 2HH1 ARG 36 2.482 -9.524 -13.427 259 1HH2 ARG 36 1HH2 ARG 36 -0.221 -7.515 -12.492 260 2HH2 ARG 36 2HH2 ARG 36 0.891 -7.914 -13.758 261 H GLY 37 H GLY 37 2.540 -10.150 -4.157 262 1HA GLY 37 2HA GLY 37 0.954 -11.996 -2.616 263 2HA GLY 37 1HA GLY 37 1.969 -10.711 -1.986 264 H LYS 38 H LYS 38 0.811 -9.433 -0.756 265 HA LYS 38 HA LYS 38 -1.351 -7.875 -1.707 266 1HB LYS 38 2HB LYS 38 -3.072 -8.796 -0.091 267 2HB LYS 38 1HB LYS 38 -2.742 -9.787 -1.504 268 1HG LYS 38 2HG LYS 38 -1.288 -10.307 1.052 269 2HG LYS 38 1HG LYS 38 -2.938 -10.892 0.831 270 1HD LYS 38 2HD LYS 38 -1.799 -11.672 -1.503 271 2HD LYS 38 1HD LYS 38 -0.423 -11.795 -0.404 272 1HE LYS 38 2HE LYS 38 -3.102 -13.151 -0.155 273 2HE LYS 38 1HE LYS 38 -1.538 -13.912 -0.444 274 1HZ LYS 38 1HZ LYS 38 -1.856 -14.244 1.797 275 2HZ LYS 38 2HZ LYS 38 -2.598 -12.744 2.042 276 3HZ LYS 38 3HZ LYS 38 -0.926 -12.831 1.802 277 H VAL 39 H VAL 39 -0.376 -6.137 -0.841 278 HA VAL 39 HA VAL 39 -0.574 -5.789 2.015 279 HB VAL 39 HB VAL 39 2.123 -5.535 0.673 280 1HG1 VAL 39 1HG1 VAL 39 1.029 -4.576 3.241 281 2HG1 VAL 39 2HG1 VAL 39 2.345 -3.936 2.256 282 3HG1 VAL 39 3HG1 VAL 39 2.624 -5.325 3.306 283 1HG2 VAL 39 1HG2 VAL 39 1.042 -7.529 2.655 284 2HG2 VAL 39 2HG2 VAL 39 2.760 -7.314 2.330 285 3HG2 VAL 39 3HG2 VAL 39 1.680 -7.846 1.042 286 H VAL 40 H VAL 40 -0.854 -3.678 2.575 287 HA VAL 40 HA VAL 40 -0.134 -1.514 0.828 288 HB VAL 40 HB VAL 40 -2.150 -2.274 -0.313 289 1HG1 VAL 40 1HG1 VAL 40 -4.341 -1.869 1.083 290 2HG1 VAL 40 2HG1 VAL 40 -3.274 -2.222 2.443 291 3HG1 VAL 40 3HG1 VAL 40 -3.486 -3.410 1.156 292 1HG2 VAL 40 1HG2 VAL 40 -1.615 0.175 -0.062 293 2HG2 VAL 40 2HG2 VAL 40 -2.833 0.229 1.211 294 3HG2 VAL 40 3HG2 VAL 40 -3.296 -0.203 -0.435 295 H GLU 41 H GLU 41 -0.703 0.596 1.756 296 HA GLU 41 HA GLU 41 -1.892 0.857 4.298 297 1HB GLU 41 2HB GLU 41 0.129 -0.332 5.036 298 2HB GLU 41 1HB GLU 41 1.130 0.904 4.287 299 1HG GLU 41 2HG GLU 41 1.091 1.411 6.576 300 2HG GLU 41 1HG GLU 41 -0.002 2.566 5.813 301 H LEU 42 H LEU 42 0.881 2.260 2.535 302 HA LEU 42 HA LEU 42 1.434 4.433 2.103 303 1HB LEU 42 2HB LEU 42 -0.989 5.557 1.265 304 2HB LEU 42 1HB LEU 42 0.255 4.838 0.267 305 HG LEU 42 HG LEU 42 -1.867 3.094 1.458 306 1HD1 LEU 42 1HD1 LEU 42 -2.196 5.125 -0.669 307 2HD1 LEU 42 2HD1 LEU 42 -3.369 4.483 0.482 308 3HD1 LEU 42 3HD1 LEU 42 -2.916 3.538 -0.937 309 1HD2 LEU 42 1HD2 LEU 42 -0.132 1.898 0.395 310 2HD2 LEU 42 2HD2 LEU 42 -0.087 3.024 -0.960 311 3HD2 LEU 42 3HD2 LEU 42 -1.462 1.940 -0.763 312 H GLY 43 H GLY 43 0.106 6.842 2.221 313 1HA GLY 43 2HA GLY 43 -1.462 7.756 4.090 314 2HA GLY 43 1HA GLY 43 -0.199 7.121 5.135 315 H CYS 44 H CYS 44 0.263 8.765 2.032 316 HA CYS 44 HA CYS 44 1.341 10.686 1.497 317 1HB CYS 44 2HB CYS 44 0.500 11.583 4.256 318 2HB CYS 44 1HB CYS 44 1.004 12.631 2.931 319 H ALA 45 H ALA 45 3.404 11.510 1.529 320 HA ALA 45 HA ALA 45 5.097 10.739 3.808 321 1HB ALA 45 1HB ALA 45 5.522 10.184 0.907 322 2HB ALA 45 2HB ALA 45 5.716 9.121 2.297 323 3HB ALA 45 3HB ALA 45 6.905 10.379 1.982 324 H ALA 46 H ALA 46 6.533 12.121 0.970 325 HA ALA 46 HA ALA 46 6.271 14.855 1.509 326 1HB ALA 46 1HB ALA 46 8.985 14.134 2.410 327 2HB ALA 46 2HB ALA 46 7.673 13.763 3.530 328 3HB ALA 46 3HB ALA 46 7.907 15.417 2.961 329 H THR 47 H THR 47 8.497 12.316 0.460 330 HA THR 47 HA THR 47 8.613 13.201 -2.193 331 HB THR 47 HB THR 47 9.856 15.104 -1.412 332 HG1 THR 47 1HG THR 47 11.263 14.887 -2.942 333 1HG2 THR 47 1HG2 THR 47 11.899 13.273 -0.197 334 2HG2 THR 47 2HG2 THR 47 10.635 14.074 0.736 335 3HG2 THR 47 3HG2 THR 47 11.835 15.034 -0.129 336 H CYS 48 H CYS 48 8.250 10.752 -1.040 337 HA CYS 48 HA CYS 48 8.924 8.571 -1.103 338 1HB CYS 48 2HB CYS 48 10.944 9.450 -3.164 339 2HB CYS 48 1HB CYS 48 10.151 7.886 -3.018 340 HA PRO 49 HA PRO 49 12.780 9.461 1.390 341 1HB PRO 49 2HB PRO 49 11.286 8.780 3.771 342 2HB PRO 49 1HB PRO 49 12.065 10.310 3.364 343 1HG PRO 49 2HG PRO 49 9.353 9.973 3.531 344 2HG PRO 49 1HG PRO 49 10.137 11.213 2.538 345 1HD PRO 49 2HD PRO 49 8.994 8.570 1.722 346 2HD PRO 49 1HD PRO 49 8.923 10.137 0.889 347 H SER 50 H SER 50 10.826 6.987 0.513 348 HA SER 50 HA SER 50 11.287 4.840 2.149 349 1HB SER 50 2HB SER 50 9.779 4.691 0.279 350 2HB SER 50 1HB SER 50 11.090 4.975 -0.865 351 HG SER 50 HG SER 50 11.834 2.967 -0.542 352 H LYS 51 H LYS 51 13.205 5.565 -0.774 353 HA LYS 51 HA LYS 51 15.442 5.381 -1.197 354 1HB LYS 51 2HB LYS 51 15.731 4.487 1.678 355 2HB LYS 51 1HB LYS 51 17.044 4.896 0.587 356 1HG LYS 51 2HG LYS 51 16.048 7.197 0.418 357 2HG LYS 51 1HG LYS 51 14.969 6.738 1.734 358 1HD LYS 51 2HD LYS 51 16.913 7.939 2.585 359 2HD LYS 51 1HD LYS 51 16.905 6.269 3.158 360 1HE LYS 51 2HE LYS 51 18.899 5.903 2.251 361 2HE LYS 51 1HE LYS 51 18.314 6.422 0.670 362 1HZ LYS 51 1HZ LYS 51 18.955 8.490 2.638 363 2HZ LYS 51 2HZ LYS 51 19.121 8.513 0.955 364 3HZ LYS 51 3HZ LYS 51 20.245 7.678 1.903 365 H LYS 52 H LYS 52 14.254 2.727 0.864 366 HA LYS 52 HA LYS 52 15.644 0.834 -0.887 367 1HB LYS 52 2HB LYS 52 14.829 -0.786 1.031 368 2HB LYS 52 1HB LYS 52 16.261 0.212 1.233 369 1HG LYS 52 2HG LYS 52 13.588 1.198 2.142 370 2HG LYS 52 1HG LYS 52 14.529 0.087 3.140 371 1HD LYS 52 2HD LYS 52 15.969 2.432 2.053 372 2HD LYS 52 1HD LYS 52 14.755 2.759 3.292 373 1HE LYS 52 2HE LYS 52 16.396 0.492 4.010 374 2HE LYS 52 1HE LYS 52 17.386 1.913 3.682 375 1HZ LYS 52 1HZ LYS 52 16.642 1.692 6.026 376 2HZ LYS 52 2HZ LYS 52 15.048 1.923 5.509 377 3HZ LYS 52 3HZ LYS 52 16.190 3.154 5.302 378 HA PRO 53 HA PRO 53 11.707 -0.208 -2.675 379 1HB PRO 53 2HB PRO 53 12.487 -2.317 -4.160 380 2HB PRO 53 1HB PRO 53 12.916 -0.656 -4.584 381 1HG PRO 53 2HG PRO 53 14.563 -2.755 -3.237 382 2HG PRO 53 1HG PRO 53 15.038 -1.582 -4.477 383 1HD PRO 53 2HD PRO 53 15.558 -1.275 -1.803 384 2HD PRO 53 1HD PRO 53 15.400 0.075 -2.941 385 H TYR 54 H TYR 54 13.699 -2.940 -1.502 386 HA TYR 54 HA TYR 54 11.681 -4.825 -1.192 387 1HB TYR 54 2HB TYR 54 13.553 -4.988 1.019 388 2HB TYR 54 1HB TYR 54 13.361 -6.064 -0.366 389 HD1 TYR 54 1HD TYR 54 15.264 -3.340 1.067 390 HD2 TYR 54 2HD TYR 54 14.563 -5.592 -2.466 391 HE1 TYR 54 1HE TYR 54 17.310 -2.422 0.090 392 HE2 TYR 54 2HE TYR 54 16.612 -4.697 -3.458 393 HH TYR 54 HH TYR 54 18.121 -2.847 -3.235 394 H GLU 55 H GLU 55 12.329 -2.012 0.726 395 HA GLU 55 HA GLU 55 11.117 -2.678 3.134 396 1HB GLU 55 2HB GLU 55 11.880 -0.236 1.745 397 2HB GLU 55 1HB GLU 55 10.439 -0.012 2.727 398 1HG GLU 55 2HG GLU 55 12.982 -1.222 3.773 399 2HG GLU 55 1HG GLU 55 12.612 0.500 3.857 400 H GLU 56 H GLU 56 9.435 -0.354 1.065 401 HA GLU 56 HA GLU 56 7.238 -1.737 0.234 402 1HB GLU 56 2HB GLU 56 7.205 -1.369 3.133 403 2HB GLU 56 1HB GLU 56 5.770 -0.720 2.353 404 1HG GLU 56 2HG GLU 56 5.029 -2.764 1.696 405 2HG GLU 56 1HG GLU 56 6.653 -3.438 1.567 406 H VAL 57 H VAL 57 7.131 1.047 2.432 407 HA VAL 57 HA VAL 57 5.524 2.678 0.916 408 HB VAL 57 HB VAL 57 6.734 4.601 2.106 409 1HG1 VAL 57 1HG1 VAL 57 5.345 4.337 3.886 410 2HG1 VAL 57 2HG1 VAL 57 5.801 2.650 4.131 411 3HG1 VAL 57 3HG1 VAL 57 4.682 3.083 2.837 412 1HG2 VAL 57 1HG2 VAL 57 8.774 2.965 2.419 413 2HG2 VAL 57 2HG2 VAL 57 7.897 2.524 3.885 414 3HG2 VAL 57 3HG2 VAL 57 8.394 4.196 3.624 415 H THR 58 H THR 58 5.925 4.539 -0.388 416 HA THR 58 HA THR 58 8.517 5.107 -1.421 417 HB THR 58 HB THR 58 8.459 3.326 -2.866 418 HG1 THR 58 1HG THR 58 7.954 4.105 -4.883 419 1HG2 THR 58 1HG2 THR 58 6.685 2.019 -2.961 420 2HG2 THR 58 2HG2 THR 58 5.961 3.159 -4.096 421 3HG2 THR 58 3HG2 THR 58 5.643 3.311 -2.370 422 H CYS 59 H CYS 59 5.730 5.351 -3.556 423 HA CYS 59 HA CYS 59 5.116 8.040 -2.653 424 1HB CYS 59 2HB CYS 59 5.645 7.962 -5.556 425 2HB CYS 59 1HB CYS 59 5.963 9.237 -4.383 426 H CYS 60 H CYS 60 3.267 8.982 -3.782 427 HA CYS 60 HA CYS 60 1.606 7.064 -5.250 428 1HB CYS 60 2HB CYS 60 1.183 7.661 -2.559 429 2HB CYS 60 1HB CYS 60 -0.003 8.634 -3.412 430 H SER 61 H SER 61 2.642 10.286 -4.689 431 HA SER 61 HA SER 61 0.725 11.944 -5.620 432 1HB SER 61 2HB SER 61 2.467 13.428 -6.387 433 2HB SER 61 1HB SER 61 3.040 12.600 -4.935 434 HG SER 61 HG SER 61 4.390 12.743 -7.033 435 H THR 62 H THR 62 -0.654 11.540 -7.224 436 HA THR 62 HA THR 62 0.256 11.583 -9.927 437 HB THR 62 HB THR 62 -0.999 9.364 -10.447 438 HG1 THR 62 1HG THR 62 -1.574 8.253 -8.788 439 1HG2 THR 62 1HG2 THR 62 1.628 9.904 -10.282 440 2HG2 THR 62 2HG2 THR 62 0.968 8.329 -10.723 441 3HG2 THR 62 3HG2 THR 62 1.486 8.638 -9.065 442 H ASP 63 H ASP 63 -2.600 10.015 -8.514 443 HA ASP 63 HA ASP 63 -4.357 12.158 -8.586 444 1HB ASP 63 2HB ASP 63 -5.639 11.668 -10.670 445 2HB ASP 63 1HB ASP 63 -4.022 12.292 -10.976 446 H LYS 64 H LYS 64 -3.973 8.725 -9.231 447 HA LYS 64 HA LYS 64 -5.856 8.066 -7.173 448 1HB LYS 64 2HB LYS 64 -7.208 6.597 -8.814 449 2HB LYS 64 1HB LYS 64 -7.565 8.320 -8.741 450 1HG LYS 64 2HG LYS 64 -5.536 7.886 -10.695 451 2HG LYS 64 1HG LYS 64 -6.865 6.763 -10.988 452 1HD LYS 64 2HD LYS 64 -7.671 9.522 -10.360 453 2HD LYS 64 1HD LYS 64 -6.799 9.322 -11.881 454 1HE LYS 64 2HE LYS 64 -8.587 8.430 -12.860 455 2HE LYS 64 1HE LYS 64 -8.773 7.250 -11.564 456 1HZ LYS 64 1HZ LYS 64 -9.700 9.437 -10.373 457 2HZ LYS 64 2HZ LYS 64 -10.682 8.364 -11.236 458 3HZ LYS 64 3HZ LYS 64 -10.131 9.783 -11.972 459 H CYS 65 H CYS 65 -3.347 7.459 -7.021 460 HA CYS 65 HA CYS 65 -2.338 5.237 -8.340 461 1HB CYS 65 2HB CYS 65 -1.053 4.879 -6.087 462 2HB CYS 65 1HB CYS 65 -0.728 6.298 -7.072 463 H ASN 66 H ASN 66 -3.786 5.182 -5.069 464 HA ASN 66 HA ASN 66 -4.422 3.320 -3.836 465 1HB ASN 66 2HB ASN 66 -6.621 2.498 -4.725 466 2HB ASN 66 1HB ASN 66 -6.487 4.249 -4.605 467 1HD2 ASN 66 1HD2 ASN 66 -6.751 5.455 -6.374 468 2HD2 ASN 66 2HD2 ASN 66 -7.015 4.829 -7.962 469 HA PRO 67 HA PRO 67 -2.145 0.233 -6.637 470 1HB PRO 67 2HB PRO 67 -0.920 -0.220 -3.959 471 2HB PRO 67 1HB PRO 67 -0.162 -0.191 -5.555 472 1HG PRO 67 2HG PRO 67 0.108 1.865 -3.888 473 2HG PRO 67 1HG PRO 67 -0.101 2.125 -5.630 474 1HD PRO 67 2HD PRO 67 -2.061 2.477 -3.410 475 2HD PRO 67 1HD PRO 67 -1.864 3.416 -4.904 476 H HIS 68 H HIS 68 -2.882 -0.335 -3.181 477 HA HIS 68 HA HIS 68 -4.043 -1.990 -2.127 478 1HB HIS 68 2HB HIS 68 -5.373 -2.204 -4.837 479 2HB HIS 68 1HB HIS 68 -5.920 -3.060 -3.403 480 HD1 HIS 68 1HD HIS 68 -8.190 -1.786 -3.538 481 HD2 HIS 68 2HD HIS 68 -4.875 0.643 -2.930 482 HE1 HIS 68 1HE HIS 68 -9.112 0.445 -2.832 483 HE2 HIS 68 2HE HIS 68 -7.086 1.883 -2.419 484 HA PRO 69 HA PRO 69 -2.079 -5.932 -2.328 485 1HB PRO 69 2HB PRO 69 -4.762 -7.035 -3.085 486 2HB PRO 69 1HB PRO 69 -3.579 -7.663 -1.932 487 1HG PRO 69 2HG PRO 69 -5.732 -6.265 -1.130 488 2HG PRO 69 1HG PRO 69 -4.174 -6.163 -0.294 489 1HD PRO 69 2HD PRO 69 -5.532 -4.150 -1.948 490 2HD PRO 69 1HD PRO 69 -4.215 -3.942 -0.780 491 H LYS 70 H LYS 70 -0.814 -6.555 -3.934 492 HA LYS 70 HA LYS 70 -1.258 -6.010 -6.628 493 1HB LYS 70 2HB LYS 70 0.564 -7.897 -6.902 494 2HB LYS 70 1HB LYS 70 0.970 -6.331 -6.223 495 1HG LYS 70 2HG LYS 70 0.101 -8.343 -4.267 496 2HG LYS 70 1HG LYS 70 1.612 -8.702 -5.103 497 1HD LYS 70 2HD LYS 70 2.626 -6.717 -4.343 498 2HD LYS 70 1HD LYS 70 1.082 -6.026 -3.842 499 1HE LYS 70 2HE LYS 70 1.003 -7.255 -1.913 500 2HE LYS 70 1HE LYS 70 1.957 -8.575 -2.587 501 1HZ LYS 70 1HZ LYS 70 3.896 -7.578 -2.039 502 2HZ LYS 70 2HZ LYS 70 2.937 -6.870 -0.839 503 3HZ LYS 70 3HZ LYS 70 3.299 -6.008 -2.248 504 H GLN 71 H GLN 71 -2.540 -8.527 -4.713 505 HA GLN 71 HA GLN 71 -2.874 -10.508 -6.721 506 1HB GLN 71 2HB GLN 71 -2.981 -11.125 -4.392 507 2HB GLN 71 1HB GLN 71 -4.308 -10.009 -4.109 508 1HG GLN 71 2HG GLN 71 -5.179 -11.718 -6.144 509 2HG GLN 71 1HG GLN 71 -4.371 -12.746 -4.963 510 1HE2 GLN 71 1HE2 GLN 71 -4.966 -11.168 -2.677 511 2HE2 GLN 71 2HE2 GLN 71 -6.659 -11.317 -2.364 512 H ARG 72 H ARG 72 -3.544 -8.677 -8.287 513 HA ARG 72 HA ARG 72 -6.084 -7.528 -8.186 514 1HB ARG 72 2HB ARG 72 -5.810 -7.390 -10.734 515 2HB ARG 72 1HB ARG 72 -4.639 -6.555 -9.727 516 1HG ARG 72 2HG ARG 72 -3.379 -8.910 -10.036 517 2HG ARG 72 1HG ARG 72 -4.292 -8.846 -11.543 518 1HD ARG 72 2HD ARG 72 -2.036 -7.854 -11.730 519 2HD ARG 72 1HD ARG 72 -3.328 -6.709 -12.090 520 HE ARG 72 HE ARG 72 -2.467 -6.627 -9.354 521 1HH1 ARG 72 1HH1 ARG 72 -1.817 -5.459 -12.578 522 2HH1 ARG 72 2HH1 ARG 72 -1.002 -4.032 -12.031 523 1HH2 ARG 72 1HH2 ARG 72 -1.394 -4.752 -8.634 524 2HH2 ARG 72 2HH2 ARG 72 -0.760 -3.631 -9.792 525 HA PRO 73 HA PRO 73 -7.360 -11.436 -11.039 526 1HB PRO 73 2HB PRO 73 -6.481 -13.656 -9.522 527 2HB PRO 73 1HB PRO 73 -5.924 -13.177 -11.126 528 1HG PRO 73 2HG PRO 73 -4.712 -12.651 -8.463 529 2HG PRO 73 1HG PRO 73 -3.923 -12.910 -10.030 530 1HD PRO 73 2HD PRO 73 -4.069 -10.479 -8.953 531 2HD PRO 73 1HD PRO 73 -4.264 -10.709 -10.701 532 H GLY 74 H GLY 74 -7.033 -11.128 -7.563 533 1HA GLY 74 2HA GLY 74 -8.717 -11.044 -5.972 534 2HA GLY 74 1HA GLY 74 -9.886 -11.388 -7.244 535 1H TYR 181 1HT TYR 181 -2.085 -22.113 22.931 536 2H TYR 181 2HT TYR 181 -2.513 -22.233 21.273 537 3H TYR 181 3HT TYR 181 -2.971 -23.469 22.371 538 HA TYR 181 HA TYR 181 -4.746 -21.915 21.708 539 1HB TYR 181 2HB TYR 181 -3.871 -22.578 24.484 540 2HB TYR 181 1HB TYR 181 -5.271 -21.530 24.285 541 HD1 TYR 181 1HD TYR 181 -7.377 -22.419 23.710 542 HD2 TYR 181 2HD TYR 181 -3.915 -24.875 23.434 543 HE1 TYR 181 1HE TYR 181 -8.808 -24.387 23.356 544 HE2 TYR 181 2HE TYR 181 -5.336 -26.850 23.079 545 HH TYR 181 HH TYR 181 -7.663 -27.313 22.217 546 H ARG 182 H ARG 182 -5.739 -19.865 22.183 547 HA ARG 182 HA ARG 182 -5.764 -17.594 22.286 548 1HB ARG 182 2HB ARG 182 -4.971 -18.176 24.644 549 2HB ARG 182 1HB ARG 182 -3.353 -17.774 24.084 550 1HG ARG 182 2HG ARG 182 -3.752 -15.561 24.090 551 2HG ARG 182 1HG ARG 182 -5.420 -15.751 23.547 552 1HD ARG 182 2HD ARG 182 -6.139 -16.339 25.753 553 2HD ARG 182 1HD ARG 182 -4.474 -16.408 26.331 554 HE ARG 182 HE ARG 182 -6.102 -14.064 26.007 555 1HH1 ARG 182 1HH1 ARG 182 -2.830 -15.272 26.124 556 2HH1 ARG 182 2HH1 ARG 182 -2.153 -13.752 26.605 557 1HH2 ARG 182 1HH2 ARG 182 -5.214 -12.064 26.641 558 2HH2 ARG 182 2HH2 ARG 182 -3.506 -11.932 26.900 559 H GLY 183 H GLY 183 -4.677 -15.669 21.535 560 1HA GLY 183 2HA GLY 183 -3.268 -14.520 20.131 561 2HA GLY 183 1HA GLY 183 -2.018 -15.669 20.580 562 H TRP 184 H TRP 184 -4.893 -15.348 18.516 563 HA TRP 184 HA TRP 184 -4.062 -17.498 16.800 564 1HB TRP 184 2HB TRP 184 -6.469 -16.234 17.316 565 2HB TRP 184 1HB TRP 184 -6.069 -15.691 15.691 566 HD1 TRP 184 HD TRP 184 -5.141 -19.210 16.894 567 HE1 TRP 184 1HE TRP 184 -6.489 -20.924 15.527 568 HE3 TRP 184 3HE TRP 184 -8.205 -15.996 14.359 569 HZ2 TRP 184 2HZ TRP 184 -8.576 -20.914 13.625 570 HZ3 TRP 184 3HZ TRP 184 -9.849 -16.930 12.785 571 HH2 TRP 184 HH TRP 184 -10.029 -19.338 12.425 572 H LYS 185 H LYS 185 -2.946 -14.410 17.131 573 HA LYS 185 HA LYS 185 -1.620 -13.070 15.866 574 1HB LYS 185 2HB LYS 185 -0.883 -15.576 15.172 575 2HB LYS 185 1HB LYS 185 -1.420 -14.975 13.610 576 1HG LYS 185 2HG LYS 185 0.266 -13.447 13.456 577 2HG LYS 185 1HG LYS 185 0.416 -13.273 15.206 578 1HD LYS 185 2HD LYS 185 1.529 -15.400 15.376 579 2HD LYS 185 1HD LYS 185 1.242 -15.732 13.666 580 1HE LYS 185 2HE LYS 185 3.327 -14.929 13.409 581 2HE LYS 185 1HE LYS 185 2.531 -13.359 13.508 582 1HZ LYS 185 1HZ LYS 185 3.878 -14.818 15.714 583 2HZ LYS 185 2HZ LYS 185 2.968 -13.410 15.933 584 3HZ LYS 185 3HZ LYS 185 4.375 -13.368 14.995 585 H HIS 186 H HIS 186 -1.965 -11.440 14.450 586 HA HIS 186 HA HIS 186 -4.471 -11.500 12.971 587 1HB HIS 186 2HB HIS 186 -3.476 -9.560 14.486 588 2HB HIS 186 1HB HIS 186 -2.683 -9.109 12.976 589 HD1 HIS 186 1HD HIS 186 -6.183 -9.736 14.310 590 HD2 HIS 186 2HD HIS 186 -4.237 -7.643 11.293 591 HE1 HIS 186 1HE HIS 186 -7.960 -8.344 13.202 592 HE2 HIS 186 2HE HIS 186 -6.742 -7.020 11.441 593 H TRP 187 H TRP 187 -4.518 -10.509 10.769 594 HA TRP 187 HA TRP 187 -2.606 -11.841 9.091 595 1HB TRP 187 2HB TRP 187 -4.619 -9.883 8.053 596 2HB TRP 187 1HB TRP 187 -4.053 -11.386 7.332 597 HD1 TRP 187 HD TRP 187 -4.753 -13.530 9.400 598 HE1 TRP 187 1HE TRP 187 -7.185 -14.015 10.091 599 HE3 TRP 187 3HE TRP 187 -6.886 -9.090 8.033 600 HZ2 TRP 187 2HZ TRP 187 -9.678 -12.690 10.060 601 HZ3 TRP 187 3HZ TRP 187 -9.300 -8.780 8.398 602 HH2 TRP 187 HH TRP 187 -10.666 -10.543 9.389 603 H VAL 188 H VAL 188 -2.082 -10.338 6.992 604 HA VAL 188 HA VAL 188 -0.198 -8.409 7.992 605 HB VAL 188 HB VAL 188 -0.618 -8.514 5.080 606 1HG1 VAL 188 1HG1 VAL 188 1.583 -8.080 5.038 607 2HG1 VAL 188 2HG1 VAL 188 1.950 -9.290 6.268 608 3HG1 VAL 188 3HG1 VAL 188 1.358 -7.698 6.745 609 1HG2 VAL 188 1HG2 VAL 188 -1.071 -10.770 5.198 610 2HG2 VAL 188 2HG2 VAL 188 -0.114 -10.996 6.662 611 3HG2 VAL 188 3HG2 VAL 188 0.690 -10.784 5.107 612 H TYR 189 H TYR 189 -0.083 -6.427 6.182 613 HA TYR 189 HA TYR 189 -2.547 -4.946 6.722 614 1HB TYR 189 2HB TYR 189 0.272 -4.159 6.049 615 2HB TYR 189 1HB TYR 189 -1.046 -3.013 5.801 616 HD1 TYR 189 1HD TYR 189 -0.648 -5.492 8.548 617 HD2 TYR 189 2HD TYR 189 -0.638 -1.386 7.434 618 HE1 TYR 189 1HE TYR 189 -0.529 -4.855 10.920 619 HE2 TYR 189 2HE TYR 189 -0.518 -0.738 9.802 620 HH TYR 189 HH TYR 189 0.299 -1.810 11.965 621 H TYR 190 H TYR 190 -3.210 -6.668 4.875 622 HA TYR 190 HA TYR 190 -2.883 -5.330 2.277 623 1HB TYR 190 2HB TYR 190 -2.925 -7.354 1.241 624 2HB TYR 190 1HB TYR 190 -2.358 -7.902 2.816 625 HD1 TYR 190 1HD TYR 190 -5.019 -8.050 0.374 626 HD2 TYR 190 2HD TYR 190 -3.986 -8.959 4.401 627 HE1 TYR 190 1HE TYR 190 -6.935 -9.584 0.513 628 HE2 TYR 190 2HE TYR 190 -5.900 -10.496 4.550 629 HH TYR 190 HH TYR 190 -7.483 -11.717 2.003 630 H THR 191 H THR 191 -4.687 -4.957 0.943 631 HA THR 191 HA THR 191 -7.014 -4.108 2.290 632 HB THR 191 HB THR 191 -6.782 -4.715 -0.658 633 HG1 THR 191 1HG THR 191 -6.254 -2.257 0.644 634 1HG2 THR 191 1HG2 THR 191 -8.270 -2.449 -0.394 635 2HG2 THR 191 2HG2 THR 191 -8.824 -3.429 0.964 636 3HG2 THR 191 3HG2 THR 191 -8.905 -4.069 -0.678 637 H CYS 192 H CYS 192 -7.726 -5.844 3.501 638 HA CYS 192 HA CYS 192 -8.237 -8.415 3.023 639 1HB CYS 192 2HB CYS 192 -9.741 -8.371 4.741 640 2HB CYS 192 1HB CYS 192 -9.066 -6.767 4.952 641 H CYS 193 H CYS 193 -10.469 -5.882 2.204 642 HA CYS 193 HA CYS 193 -11.534 -7.459 -0.007 643 1HB CYS 193 2HB CYS 193 -13.549 -6.303 1.817 644 2HB CYS 193 1HB CYS 193 -13.540 -7.857 0.990 645 HA PRO 194 HA PRO 194 -11.501 -3.118 -1.375 646 1HB PRO 194 2HB PRO 194 -11.468 -3.628 -4.014 647 2HB PRO 194 1HB PRO 194 -10.018 -3.802 -3.016 648 1HG PRO 194 2HG PRO 194 -11.910 -5.908 -3.992 649 2HG PRO 194 1HG PRO 194 -10.137 -5.933 -3.943 650 1HD PRO 194 2HD PRO 194 -11.712 -7.150 -2.072 651 2HD PRO 194 1HD PRO 194 -10.085 -6.531 -1.727 652 H ASP 195 H ASP 195 -12.888 -1.990 -3.146 653 HA ASP 195 HA ASP 195 -14.969 -1.292 -3.755 654 1HB ASP 195 2HB ASP 195 -14.596 -3.622 -4.991 655 2HB ASP 195 1HB ASP 195 -15.948 -4.102 -3.964 656 H THR 196 H THR 196 -15.864 -0.346 -1.991 657 HA THR 196 HA THR 196 -17.348 -2.095 -0.137 658 HB THR 196 HB THR 196 -15.677 -0.963 1.087 659 HG1 THR 196 1HG THR 196 -17.972 0.665 1.394 660 1HG2 THR 196 1HG2 THR 196 -15.060 0.750 -0.537 661 2HG2 THR 196 2HG2 THR 196 -15.312 1.429 1.071 662 3HG2 THR 196 3HG2 THR 196 -16.546 1.627 -0.174 663 HA PRO 197 HA PRO 197 -20.374 1.181 -1.983 664 1HB PRO 197 2HB PRO 197 -21.018 -0.475 -4.291 665 2HB PRO 197 1HB PRO 197 -20.571 1.231 -4.248 666 1HG PRO 197 2HG PRO 197 -18.978 -0.728 -5.282 667 2HG PRO 197 1HG PRO 197 -18.365 0.793 -4.614 668 1HD PRO 197 2HD PRO 197 -18.409 -1.933 -3.402 669 2HD PRO 197 1HD PRO 197 -17.201 -0.641 -3.268 670 H TYR 198 H TYR 198 -19.993 -1.557 -0.637 671 HA TYR 198 HA TYR 198 -22.399 -3.022 -1.041 672 1HB TYR 198 2HB TYR 198 -20.171 -3.992 -0.431 673 2HB TYR 198 1HB TYR 198 -20.306 -3.211 1.144 674 HD1 TYR 198 1HD TYR 198 -21.999 -5.683 -1.072 675 HD2 TYR 198 2HD TYR 198 -21.396 -4.304 2.907 676 HE1 TYR 198 1HE TYR 198 -23.206 -7.647 -0.215 677 HE2 TYR 198 2HE TYR 198 -22.601 -6.264 3.775 678 HH TYR 198 HH TYR 198 -23.107 -8.625 2.961 Start of MODEL 8 1 1H ILE 1 1HT ILE 1 -6.000 14.934 -6.230 2 2H ILE 1 2HT ILE 1 -4.539 15.636 -6.795 3 3H ILE 1 3HT ILE 1 -5.034 15.873 -5.169 4 HA ILE 1 HA ILE 1 -4.342 13.288 -6.387 5 HB ILE 1 HB ILE 1 -2.530 13.840 -4.349 6 1HG1 ILE 1 2HG1 ILE 1 -2.771 16.262 -6.148 7 2HG1 ILE 1 1HG1 ILE 1 -3.188 16.223 -4.438 8 1HG2 ILE 1 1HG2 ILE 1 -1.121 14.368 -6.628 9 2HG2 ILE 1 2HG2 ILE 1 -2.507 13.469 -7.245 10 3HG2 ILE 1 3HG2 ILE 1 -1.481 12.760 -5.999 11 1HD1 ILE 1 1HD1 ILE 1 -1.113 16.977 -4.137 12 2HD1 ILE 1 2HD1 ILE 1 -0.587 16.458 -5.738 13 3HD1 ILE 1 3HD1 ILE 1 -0.629 15.303 -4.405 14 H VAL 2 H VAL 2 -5.704 11.904 -5.442 15 HA VAL 2 HA VAL 2 -5.942 12.008 -2.508 16 HB VAL 2 HB VAL 2 -8.112 11.145 -4.427 17 1HG1 VAL 2 1HG1 VAL 2 -9.455 11.299 -2.230 18 2HG1 VAL 2 2HG1 VAL 2 -7.883 11.177 -1.444 19 3HG1 VAL 2 3HG1 VAL 2 -8.441 9.882 -2.502 20 1HG2 VAL 2 1HG2 VAL 2 -8.421 13.464 -2.602 21 2HG2 VAL 2 2HG2 VAL 2 -9.110 13.182 -4.201 22 3HG2 VAL 2 3HG2 VAL 2 -7.427 13.684 -4.042 23 H CYS 3 H CYS 3 -5.494 10.161 -1.441 24 HA CYS 3 HA CYS 3 -4.582 7.896 -3.030 25 1HB CYS 3 2HB CYS 3 -4.381 8.261 -0.043 26 2HB CYS 3 1HB CYS 3 -3.448 7.160 -1.056 27 H HIS 4 H HIS 4 -7.003 7.582 -3.510 28 HA HIS 4 HA HIS 4 -9.128 6.808 -2.393 29 1HB HIS 4 2HB HIS 4 -7.925 4.374 -3.607 30 2HB HIS 4 1HB HIS 4 -9.504 5.105 -3.876 31 HD1 HIS 4 1HD HIS 4 -6.769 4.327 -5.787 32 HD2 HIS 4 2HD HIS 4 -8.775 7.917 -5.181 33 HE1 HIS 4 1HE HIS 4 -6.247 5.741 -7.800 34 HE2 HIS 4 2HE HIS 4 -7.443 7.920 -7.396 35 H THR 5 H THR 5 -9.133 6.602 -0.184 36 HA THR 5 HA THR 5 -8.807 5.694 1.895 37 HB THR 5 HB THR 5 -9.423 2.999 1.356 38 HG1 THR 5 1HG THR 5 -10.802 4.774 -0.372 39 1HG2 THR 5 1HG2 THR 5 -10.706 3.726 3.042 40 2HG2 THR 5 2HG2 THR 5 -11.848 4.096 1.751 41 3HG2 THR 5 3HG2 THR 5 -10.809 5.365 2.400 42 H THR 6 H THR 6 -8.124 3.164 2.775 43 HA THR 6 HA THR 6 -5.254 3.147 2.187 44 HB THR 6 HB THR 6 -5.750 3.405 4.521 45 HG1 THR 6 1HG THR 6 -4.151 2.101 4.813 46 1HG2 THR 6 1HG2 THR 6 -6.865 1.266 5.611 47 2HG2 THR 6 2HG2 THR 6 -7.698 1.229 4.058 48 3HG2 THR 6 3HG2 THR 6 -7.810 2.659 5.085 49 H ALA 7 H ALA 7 -7.429 1.893 0.537 50 HA ALA 7 HA ALA 7 -7.356 0.115 -0.925 51 1HB ALA 7 1HB ALA 7 -5.591 -1.443 0.931 52 2HB ALA 7 2HB ALA 7 -4.937 -0.192 -0.127 53 3HB ALA 7 3HB ALA 7 -5.768 -1.586 -0.818 54 H THR 8 H THR 8 -7.785 -0.341 2.522 55 HA THR 8 HA THR 8 -9.194 -2.790 2.398 56 HB THR 8 HB THR 8 -9.919 -0.933 4.572 57 HG1 THR 8 1HG THR 8 -7.974 -0.470 5.207 58 1HG2 THR 8 1HG2 THR 8 -10.213 -2.851 5.616 59 2HG2 THR 8 2HG2 THR 8 -8.485 -3.184 5.483 60 3HG2 THR 8 3HG2 THR 8 -9.588 -3.727 4.218 61 H SER 9 H SER 9 -10.136 0.521 1.888 62 HA SER 9 HA SER 9 -12.914 -0.377 1.481 63 1HB SER 9 2HB SER 9 -13.088 1.027 3.348 64 2HB SER 9 1HB SER 9 -11.856 2.134 2.750 65 HG SER 9 HG SER 9 -13.313 2.898 1.234 66 HA PRO 10 HA PRO 10 -12.620 1.052 -2.676 67 1HB PRO 10 2HB PRO 10 -15.137 2.057 -3.073 68 2HB PRO 10 1HB PRO 10 -14.754 0.332 -3.078 69 1HG PRO 10 2HG PRO 10 -15.899 2.015 -0.885 70 2HG PRO 10 1HG PRO 10 -16.353 0.378 -1.394 71 1HD PRO 10 2HD PRO 10 -14.817 0.816 0.771 72 2HD PRO 10 1HD PRO 10 -14.580 -0.599 -0.275 73 H ILE 11 H ILE 11 -14.390 3.355 -0.597 74 HA ILE 11 HA ILE 11 -12.576 5.461 -0.931 75 HB ILE 11 HB ILE 11 -13.315 5.478 -3.258 76 1HG1 ILE 11 2HG1 ILE 11 -14.399 7.831 -1.693 77 2HG1 ILE 11 1HG1 ILE 11 -12.720 7.608 -2.173 78 1HG2 ILE 11 1HG2 ILE 11 -15.855 6.445 -3.344 79 2HG2 ILE 11 2HG2 ILE 11 -15.959 5.298 -2.009 80 3HG2 ILE 11 3HG2 ILE 11 -15.411 4.757 -3.594 81 1HD1 ILE 11 1HD1 ILE 11 -15.095 8.259 -3.860 82 2HD1 ILE 11 2HD1 ILE 11 -13.663 7.513 -4.571 83 3HD1 ILE 11 3HD1 ILE 11 -13.534 9.073 -3.759 84 H SER 12 H SER 12 -13.088 7.221 0.345 85 HA SER 12 HA SER 12 -15.759 7.586 1.369 86 1HB SER 12 2HB SER 12 -15.152 5.849 2.884 87 2HB SER 12 1HB SER 12 -13.550 6.539 3.141 88 HG SER 12 HG SER 12 -14.994 6.999 4.867 89 H ALA 13 H ALA 13 -12.689 8.341 2.962 90 HA ALA 13 HA ALA 13 -12.733 11.076 1.998 91 1HB ALA 13 1HB ALA 13 -14.220 10.649 4.192 92 2HB ALA 13 2HB ALA 13 -13.345 12.150 3.894 93 3HB ALA 13 3HB ALA 13 -12.650 10.918 4.948 94 H VAL 14 H VAL 14 -10.802 9.485 1.313 95 HA VAL 14 HA VAL 14 -8.684 9.245 3.197 96 HB VAL 14 HB VAL 14 -8.856 7.620 1.477 97 1HG1 VAL 14 1HG1 VAL 14 -9.891 8.306 -0.386 98 2HG1 VAL 14 2HG1 VAL 14 -8.269 8.698 -0.955 99 3HG1 VAL 14 3HG1 VAL 14 -9.282 9.953 -0.238 100 1HG2 VAL 14 1HG2 VAL 14 -6.652 7.436 1.365 101 2HG2 VAL 14 2HG2 VAL 14 -6.510 9.108 1.903 102 3HG2 VAL 14 3HG2 VAL 14 -6.566 8.738 0.180 103 H THR 15 H THR 15 -7.527 10.459 0.190 104 HA THR 15 HA THR 15 -6.375 12.300 -0.403 105 HB THR 15 HB THR 15 -7.295 14.399 0.047 106 HG1 THR 15 1HG THR 15 -7.786 13.344 2.555 107 1HG2 THR 15 1HG2 THR 15 -9.255 13.962 -0.854 108 2HG2 THR 15 2HG2 THR 15 -9.872 13.455 0.719 109 3HG2 THR 15 3HG2 THR 15 -9.120 12.277 -0.356 110 H CYS 16 H CYS 16 -4.536 13.411 0.154 111 HA CYS 16 HA CYS 16 -3.768 13.550 2.957 112 1HB CYS 16 2HB CYS 16 -2.968 11.354 1.465 113 2HB CYS 16 1HB CYS 16 -1.570 12.425 1.407 114 HA PRO 17 HA PRO 17 -0.345 15.907 0.344 115 1HB PRO 17 2HB PRO 17 -1.205 16.250 -2.297 116 2HB PRO 17 1HB PRO 17 0.075 15.163 -1.752 117 1HG PRO 17 2HG PRO 17 -2.788 14.574 -2.350 118 2HG PRO 17 1HG PRO 17 -1.347 13.589 -2.662 119 1HD PRO 17 2HD PRO 17 -2.983 13.009 -0.642 120 2HD PRO 17 1HD PRO 17 -1.225 12.853 -0.458 121 HA PRO 18 HA PRO 18 -3.520 19.151 0.822 122 1HB PRO 18 2HB PRO 18 -1.765 20.486 2.647 123 2HB PRO 18 1HB PRO 18 -3.244 19.603 3.023 124 1HG PRO 18 2HG PRO 18 -0.699 18.819 3.771 125 2HG PRO 18 1HG PRO 18 -2.103 17.743 3.665 126 1HD PRO 18 2HD PRO 18 0.130 18.150 1.717 127 2HD PRO 18 1HD PRO 18 -0.716 16.655 2.168 128 H GLY 19 H GLY 19 -0.064 19.986 1.084 129 1HA GLY 19 2HA GLY 19 -0.453 21.923 -1.112 130 2HA GLY 19 1HA GLY 19 0.522 22.295 0.308 131 H GLU 20 H GLU 20 1.827 19.833 0.583 132 HA GLU 20 HA GLU 20 3.120 19.134 -1.884 133 1HB GLU 20 2HB GLU 20 4.244 21.266 -1.342 134 2HB GLU 20 1HB GLU 20 4.716 20.610 0.219 135 1HG GLU 20 2HG GLU 20 6.580 20.493 -1.274 136 2HG GLU 20 1HG GLU 20 6.006 18.859 -0.948 137 H ASN 21 H ASN 21 2.007 17.232 -0.792 138 HA ASN 21 HA ASN 21 4.019 15.771 0.751 139 1HB ASN 21 2HB ASN 21 1.242 16.412 1.615 140 2HB ASN 21 1HB ASN 21 1.851 14.797 1.975 141 1HD2 ASN 21 1HD2 ASN 21 2.767 18.211 2.230 142 2HD2 ASN 21 2HD2 ASN 21 3.568 18.059 3.752 143 H LEU 22 H LEU 22 4.402 14.695 -1.274 144 HA LEU 22 HA LEU 22 2.546 13.436 -2.877 145 1HB LEU 22 2HB LEU 22 5.267 12.337 -2.189 146 2HB LEU 22 1HB LEU 22 4.342 12.031 -3.645 147 HG LEU 22 HG LEU 22 5.599 14.655 -2.842 148 1HD1 LEU 22 1HD1 LEU 22 6.316 13.485 -5.405 149 2HD1 LEU 22 2HD1 LEU 22 6.751 12.459 -4.038 150 3HD1 LEU 22 3HD1 LEU 22 7.344 14.118 -4.119 151 1HD2 LEU 22 1HD2 LEU 22 4.852 14.991 -5.408 152 2HD2 LEU 22 2HD2 LEU 22 3.884 15.508 -4.028 153 3HD2 LEU 22 3HD2 LEU 22 3.532 13.975 -4.827 154 H CYS 23 H CYS 23 1.789 11.278 -3.019 155 HA CYS 23 HA CYS 23 1.143 10.131 -0.468 156 1HB CYS 23 2HB CYS 23 -0.347 10.252 -2.583 157 2HB CYS 23 1HB CYS 23 0.553 8.833 -3.114 158 H TYR 24 H TYR 24 1.368 7.683 -0.177 159 HA TYR 24 HA TYR 24 3.993 6.786 -1.141 160 1HB TYR 24 2HB TYR 24 3.010 7.147 1.545 161 2HB TYR 24 1HB TYR 24 3.425 5.458 1.277 162 HD1 TYR 24 1HD TYR 24 5.118 8.273 -0.399 163 HD2 TYR 24 2HD TYR 24 5.296 5.400 2.730 164 HE1 TYR 24 1HE TYR 24 7.499 8.801 -0.059 165 HE2 TYR 24 2HE TYR 24 7.678 5.918 3.083 166 HH TYR 24 HH TYR 24 9.569 6.868 1.776 167 H ARG 25 H ARG 25 4.098 4.246 -0.435 168 HA ARG 25 HA ARG 25 1.757 2.715 -0.680 169 1HB ARG 25 2HB ARG 25 1.678 3.631 -2.947 170 2HB ARG 25 1HB ARG 25 3.312 3.057 -3.248 171 1HG ARG 25 2HG ARG 25 1.855 0.817 -2.401 172 2HG ARG 25 1HG ARG 25 0.816 1.679 -3.536 173 1HD ARG 25 2HD ARG 25 3.608 1.468 -4.392 174 2HD ARG 25 1HD ARG 25 2.791 -0.085 -4.221 175 HE ARG 25 HE ARG 25 1.036 1.443 -5.638 176 1HH1 ARG 25 1HH1 ARG 25 4.379 0.533 -6.057 177 2HH1 ARG 25 2HH1 ARG 25 4.310 0.599 -7.786 178 1HH2 ARG 25 1HH2 ARG 25 0.943 1.530 -7.913 179 2HH2 ARG 25 2HH2 ARG 25 2.360 1.165 -8.840 180 H LYS 26 H LYS 26 2.642 1.368 0.822 181 HA LYS 26 HA LYS 26 5.294 0.276 0.494 182 1HB LYS 26 2HB LYS 26 3.183 -0.634 2.451 183 2HB LYS 26 1HB LYS 26 4.925 -0.833 2.580 184 1HG LYS 26 2HG LYS 26 4.987 1.747 2.595 185 2HG LYS 26 1HG LYS 26 3.272 1.623 2.987 186 1HD LYS 26 2HD LYS 26 4.240 1.695 5.085 187 2HD LYS 26 1HD LYS 26 4.085 -0.042 4.815 188 1HE LYS 26 2HE LYS 26 6.288 -0.326 4.948 189 2HE LYS 26 1HE LYS 26 6.578 0.936 3.753 190 1HZ LYS 26 1HZ LYS 26 6.980 2.468 5.336 191 2HZ LYS 26 2HZ LYS 26 7.365 1.116 6.276 192 3HZ LYS 26 3HZ LYS 26 5.841 1.836 6.417 193 H MET 27 H MET 27 5.801 -1.911 0.083 194 HA MET 27 HA MET 27 3.679 -3.745 -0.622 195 1HB MET 27 2HB MET 27 4.750 -2.121 -2.625 196 2HB MET 27 1HB MET 27 5.546 -3.674 -2.836 197 1HG MET 27 2HG MET 27 3.681 -3.876 -4.171 198 2HG MET 27 1HG MET 27 3.165 -4.654 -2.675 199 1HE MET 27 1HE MET 27 0.887 -4.641 -3.349 200 2HE MET 27 2HE MET 27 0.716 -3.570 -4.739 201 3HE MET 27 3HE MET 27 -0.223 -3.273 -3.276 202 H TRP 28 H TRP 28 4.406 -5.253 0.788 203 HA TRP 28 HA TRP 28 7.180 -5.984 0.959 204 1HB TRP 28 2HB TRP 28 5.224 -6.103 2.757 205 2HB TRP 28 1HB TRP 28 5.026 -7.719 2.089 206 HD1 TRP 28 HD TRP 28 8.604 -6.887 1.951 207 HE1 TRP 28 1HE TRP 28 9.870 -7.952 3.921 208 HE3 TRP 28 3HE TRP 28 4.614 -8.206 4.865 209 HZ2 TRP 28 2HZ TRP 28 9.260 -9.190 6.383 210 HZ3 TRP 28 3HZ TRP 28 5.042 -9.327 7.012 211 HH2 TRP 28 HH TRP 28 7.318 -9.809 7.755 212 H CYS 29 H CYS 29 6.368 -8.928 1.269 213 HA CYS 29 HA CYS 29 5.467 -9.909 -1.205 214 1HB CYS 29 2HB CYS 29 7.601 -8.870 -1.985 215 2HB CYS 29 1HB CYS 29 8.480 -9.956 -0.908 216 H ASP 30 H ASP 30 7.546 -10.401 1.596 217 HA ASP 30 HA ASP 30 7.563 -12.087 3.141 218 1HB ASP 30 2HB ASP 30 5.072 -12.380 2.177 219 2HB ASP 30 1HB ASP 30 5.770 -13.893 1.609 220 H ALA 31 H ALA 31 7.131 -13.611 -0.059 221 HA ALA 31 HA ALA 31 9.829 -14.395 -0.311 222 1HB ALA 31 1HB ALA 31 9.717 -16.026 1.285 223 2HB ALA 31 2HB ALA 31 9.171 -16.946 -0.118 224 3HB ALA 31 3HB ALA 31 7.994 -16.312 1.031 225 H PHE 32 H PHE 32 9.624 -13.765 -2.426 226 HA PHE 32 HA PHE 32 9.130 -13.909 -4.642 227 1HB PHE 32 2HB PHE 32 9.431 -16.544 -3.717 228 2HB PHE 32 1HB PHE 32 7.985 -16.566 -4.722 229 HD1 PHE 32 1HD PHE 32 11.338 -14.923 -4.883 230 HD2 PHE 32 2HD PHE 32 8.375 -17.246 -6.868 231 HE1 PHE 32 1HE PHE 32 12.747 -14.993 -6.897 232 HE2 PHE 32 2HE PHE 32 9.780 -17.321 -8.886 233 HZ PHE 32 HZ PHE 32 11.969 -16.194 -8.903 234 H CYS 33 H CYS 33 7.481 -12.573 -5.092 235 HA CYS 33 HA CYS 33 4.752 -13.550 -4.583 236 1HB CYS 33 2HB CYS 33 4.301 -10.945 -4.992 237 2HB CYS 33 1HB CYS 33 4.689 -11.602 -3.409 238 H SER 34 H SER 34 5.787 -10.919 -6.716 239 HA SER 34 HA SER 34 5.575 -10.592 -8.953 240 1HB SER 34 2HB SER 34 5.942 -12.346 -10.413 241 2HB SER 34 1HB SER 34 6.567 -13.042 -8.918 242 HG SER 34 HG SER 34 5.089 -14.514 -9.065 243 H SER 35 H SER 35 3.276 -13.185 -8.079 244 HA SER 35 HA SER 35 1.140 -11.561 -9.281 245 1HB SER 35 2HB SER 35 1.836 -14.279 -9.651 246 2HB SER 35 1HB SER 35 0.309 -14.264 -8.769 247 HG SER 35 HG SER 35 -0.511 -12.870 -10.402 248 H ARG 36 H ARG 36 2.293 -12.993 -6.360 249 HA ARG 36 HA ARG 36 -0.201 -13.048 -4.977 250 1HB ARG 36 2HB ARG 36 2.538 -13.746 -4.419 251 2HB ARG 36 1HB ARG 36 1.874 -12.818 -3.081 252 1HG ARG 36 2HG ARG 36 1.279 -14.908 -2.428 253 2HG ARG 36 1HG ARG 36 -0.147 -14.484 -3.377 254 1HD ARG 36 2HD ARG 36 1.517 -15.527 -5.277 255 2HD ARG 36 1HD ARG 36 1.914 -16.506 -3.865 256 HE ARG 36 HE ARG 36 -0.420 -16.702 -5.434 257 1HH1 ARG 36 1HH1 ARG 36 0.618 -16.788 -2.103 258 2HH1 ARG 36 2HH1 ARG 36 -0.686 -17.807 -1.592 259 1HH2 ARG 36 1HH2 ARG 36 -2.137 -18.039 -4.763 260 2HH2 ARG 36 2HH2 ARG 36 -2.250 -18.517 -3.102 261 H GLY 37 H GLY 37 2.538 -11.165 -3.732 262 1HA GLY 37 2HA GLY 37 2.692 -8.940 -3.158 263 2HA GLY 37 1HA GLY 37 1.266 -8.636 -4.136 264 H LYS 38 H LYS 38 -0.803 -8.815 -3.194 265 HA LYS 38 HA LYS 38 -2.167 -8.033 -1.490 266 1HB LYS 38 2HB LYS 38 -2.478 -9.928 0.199 267 2HB LYS 38 1HB LYS 38 -2.762 -10.292 -1.497 268 1HG LYS 38 2HG LYS 38 -0.035 -10.780 -0.464 269 2HG LYS 38 1HG LYS 38 -1.317 -11.854 0.099 270 1HD LYS 38 2HD LYS 38 -1.349 -11.325 -2.786 271 2HD LYS 38 1HD LYS 38 0.085 -12.179 -2.216 272 1HE LYS 38 2HE LYS 38 -1.078 -14.044 -1.671 273 2HE LYS 38 1HE LYS 38 -2.502 -13.136 -1.166 274 1HZ LYS 38 1HZ LYS 38 -2.136 -14.506 -3.544 275 2HZ LYS 38 2HZ LYS 38 -2.119 -12.867 -3.955 276 3HZ LYS 38 3HZ LYS 38 -3.440 -13.515 -3.121 277 H VAL 39 H VAL 39 0.159 -6.698 -1.133 278 HA VAL 39 HA VAL 39 0.294 -6.523 1.786 279 HB VAL 39 HB VAL 39 2.783 -6.053 1.559 280 1HG1 VAL 39 1HG1 VAL 39 2.616 -8.862 0.842 281 2HG1 VAL 39 2HG1 VAL 39 1.388 -8.393 2.016 282 3HG1 VAL 39 3HG1 VAL 39 3.093 -8.109 2.363 283 1HG2 VAL 39 1HG2 VAL 39 2.177 -7.116 -1.171 284 2HG2 VAL 39 2HG2 VAL 39 3.751 -7.414 -0.434 285 3HG2 VAL 39 3HG2 VAL 39 3.200 -5.760 -0.699 286 H VAL 40 H VAL 40 -0.942 -4.643 1.688 287 HA VAL 40 HA VAL 40 0.313 -2.357 0.316 288 HB VAL 40 HB VAL 40 -1.900 -1.271 0.381 289 1HG1 VAL 40 1HG1 VAL 40 -1.832 -3.983 -0.934 290 2HG1 VAL 40 2HG1 VAL 40 -1.263 -2.461 -1.618 291 3HG1 VAL 40 3HG1 VAL 40 -2.984 -2.704 -1.318 292 1HG2 VAL 40 1HG2 VAL 40 -3.293 -3.799 0.999 293 2HG2 VAL 40 2HG2 VAL 40 -3.734 -2.136 1.383 294 3HG2 VAL 40 3HG2 VAL 40 -2.532 -2.977 2.361 295 H GLU 41 H GLU 41 0.045 -0.251 1.383 296 HA GLU 41 HA GLU 41 -0.718 0.108 4.033 297 1HB GLU 41 2HB GLU 41 1.569 -1.428 3.956 298 2HB GLU 41 1HB GLU 41 2.204 0.192 4.201 299 1HG GLU 41 2HG GLU 41 0.220 -1.266 5.925 300 2HG GLU 41 1HG GLU 41 1.882 -0.835 6.330 301 H LEU 42 H LEU 42 -0.735 1.497 1.525 302 HA LEU 42 HA LEU 42 1.142 3.586 1.407 303 1HB LEU 42 2HB LEU 42 -0.599 4.764 0.050 304 2HB LEU 42 1HB LEU 42 -0.197 3.151 -0.510 305 HG LEU 42 HG LEU 42 -2.494 3.293 1.332 306 1HD1 LEU 42 1HD1 LEU 42 -2.471 5.315 -0.421 307 2HD1 LEU 42 2HD1 LEU 42 -3.945 4.479 0.069 308 3HD1 LEU 42 3HD1 LEU 42 -3.149 4.050 -1.446 309 1HD2 LEU 42 1HD2 LEU 42 -2.406 1.211 0.480 310 2HD2 LEU 42 2HD2 LEU 42 -1.541 1.724 -0.968 311 3HD2 LEU 42 3HD2 LEU 42 -3.288 1.939 -0.862 312 H GLY 43 H GLY 43 1.380 5.405 2.566 313 1HA GLY 43 2HA GLY 43 -0.903 6.322 4.187 314 2HA GLY 43 1HA GLY 43 0.669 6.086 4.937 315 H CYS 44 H CYS 44 1.061 7.207 1.786 316 HA CYS 44 HA CYS 44 1.715 9.190 0.928 317 1HB CYS 44 2HB CYS 44 0.205 10.874 1.105 318 2HB CYS 44 1HB CYS 44 -0.733 9.628 1.921 319 H ALA 45 H ALA 45 3.497 10.365 1.072 320 HA ALA 45 HA ALA 45 4.729 10.655 3.724 321 1HB ALA 45 1HB ALA 45 6.346 9.572 2.568 322 2HB ALA 45 2HB ALA 45 6.750 11.206 2.044 323 3HB ALA 45 3HB ALA 45 5.778 10.164 1.007 324 H ALA 46 H ALA 46 6.543 12.615 3.331 325 HA ALA 46 HA ALA 46 4.903 14.956 2.615 326 1HB ALA 46 1HB ALA 46 6.916 14.723 4.846 327 2HB ALA 46 2HB ALA 46 5.163 14.804 5.019 328 3HB ALA 46 3HB ALA 46 6.051 16.194 4.397 329 H THR 47 H THR 47 7.853 13.297 2.073 330 HA THR 47 HA THR 47 8.643 15.270 0.142 331 HB THR 47 HB THR 47 9.602 16.330 2.074 332 HG1 THR 47 1HG THR 47 11.814 16.232 1.482 333 1HG2 THR 47 1HG2 THR 47 11.450 15.113 3.324 334 2HG2 THR 47 2HG2 THR 47 10.731 13.629 2.699 335 3HG2 THR 47 3HG2 THR 47 9.785 14.701 3.733 336 H CYS 48 H CYS 48 8.016 12.355 0.339 337 HA CYS 48 HA CYS 48 8.779 10.346 -0.471 338 1HB CYS 48 2HB CYS 48 9.735 12.467 -2.240 339 2HB CYS 48 1HB CYS 48 10.722 11.013 -2.331 340 HA PRO 49 HA PRO 49 12.794 10.681 2.007 341 1HB PRO 49 2HB PRO 49 11.928 9.444 4.261 342 2HB PRO 49 1HB PRO 49 11.804 11.193 4.034 343 1HG PRO 49 2HG PRO 49 9.710 9.083 3.684 344 2HG PRO 49 1HG PRO 49 9.573 10.680 4.443 345 1HD PRO 49 2HD PRO 49 8.722 10.176 1.915 346 2HD PRO 49 1HD PRO 49 9.344 11.760 2.421 347 H SER 50 H SER 50 12.456 9.078 -0.036 348 HA SER 50 HA SER 50 12.896 6.369 1.009 349 1HB SER 50 2HB SER 50 10.669 6.540 -0.030 350 2HB SER 50 1HB SER 50 11.410 7.135 -1.516 351 HG SER 50 HG SER 50 11.036 4.915 -1.683 352 H LYS 51 H LYS 51 14.672 5.372 0.288 353 HA LYS 51 HA LYS 51 15.877 5.580 -2.192 354 1HB LYS 51 2HB LYS 51 17.911 6.968 -1.554 355 2HB LYS 51 1HB LYS 51 16.424 7.854 -1.857 356 1HG LYS 51 2HG LYS 51 16.434 7.259 0.887 357 2HG LYS 51 1HG LYS 51 18.062 7.807 0.487 358 1HD LYS 51 2HD LYS 51 15.519 9.272 -0.212 359 2HD LYS 51 1HD LYS 51 16.569 9.659 1.152 360 1HE LYS 51 2HE LYS 51 17.508 9.619 -1.708 361 2HE LYS 51 1HE LYS 51 16.899 11.067 -0.909 362 1HZ LYS 51 1HZ LYS 51 18.713 10.259 0.857 363 2HZ LYS 51 2HZ LYS 51 19.062 11.328 -0.407 364 3HZ LYS 51 3HZ LYS 51 19.428 9.685 -0.565 365 H LYS 52 H LYS 52 15.388 3.533 -0.474 366 HA LYS 52 HA LYS 52 18.102 2.665 0.261 367 1HB LYS 52 2HB LYS 52 16.696 1.191 1.981 368 2HB LYS 52 1HB LYS 52 17.283 2.795 2.389 369 1HG LYS 52 2HG LYS 52 14.977 3.593 1.512 370 2HG LYS 52 1HG LYS 52 14.507 1.908 1.736 371 1HD LYS 52 2HD LYS 52 15.948 3.173 3.982 372 2HD LYS 52 1HD LYS 52 14.320 3.775 3.662 373 1HE LYS 52 2HE LYS 52 13.334 1.743 4.130 374 2HE LYS 52 1HE LYS 52 14.801 0.832 3.778 375 1HZ LYS 52 1HZ LYS 52 13.894 1.492 6.253 376 2HZ LYS 52 2HZ LYS 52 15.114 2.632 5.987 377 3HZ LYS 52 3HZ LYS 52 15.464 0.980 5.883 378 HA PRO 53 HA PRO 53 17.653 -1.015 -2.096 379 1HB PRO 53 2HB PRO 53 18.004 -3.020 -0.189 380 2HB PRO 53 1HB PRO 53 19.297 -2.193 -1.062 381 1HG PRO 53 2HG PRO 53 18.234 -1.690 1.681 382 2HG PRO 53 1HG PRO 53 19.904 -1.610 1.089 383 1HD PRO 53 2HD PRO 53 18.480 0.612 1.530 384 2HD PRO 53 1HD PRO 53 19.606 0.497 0.161 385 H TYR 54 H TYR 54 16.664 -3.509 -1.510 386 HA TYR 54 HA TYR 54 13.951 -3.308 -1.924 387 1HB TYR 54 2HB TYR 54 14.439 -5.669 -0.343 388 2HB TYR 54 1HB TYR 54 14.142 -5.537 -2.077 389 HD1 TYR 54 1HD TYR 54 16.703 -5.710 0.528 390 HD2 TYR 54 2HD TYR 54 15.966 -5.460 -3.648 391 HE1 TYR 54 1HE TYR 54 19.061 -6.200 0.094 392 HE2 TYR 54 2HE TYR 54 18.318 -5.962 -4.105 393 HH TYR 54 HH TYR 54 20.714 -5.981 -1.621 394 H GLU 55 H GLU 55 12.811 -1.891 -0.664 395 HA GLU 55 HA GLU 55 12.625 -2.538 2.203 396 1HB GLU 55 2HB GLU 55 11.570 -0.092 2.185 397 2HB GLU 55 1HB GLU 55 13.297 -0.366 2.345 398 1HG GLU 55 2HG GLU 55 13.762 0.499 0.311 399 2HG GLU 55 1HG GLU 55 12.261 -0.082 -0.406 400 H GLU 56 H GLU 56 10.457 -0.568 0.204 401 HA GLU 56 HA GLU 56 8.454 -2.433 -0.256 402 1HB GLU 56 2HB GLU 56 8.510 -1.390 2.486 403 2HB GLU 56 1HB GLU 56 6.955 -1.201 1.690 404 1HG GLU 56 2HG GLU 56 6.499 -3.380 1.801 405 2HG GLU 56 1HG GLU 56 8.134 -3.844 1.334 406 H VAL 57 H VAL 57 8.631 0.875 1.065 407 HA VAL 57 HA VAL 57 6.560 1.905 -0.549 408 HB VAL 57 HB VAL 57 7.411 4.135 0.086 409 1HG1 VAL 57 1HG1 VAL 57 5.931 3.322 1.660 410 2HG1 VAL 57 2HG1 VAL 57 7.357 3.657 2.642 411 3HG1 VAL 57 3HG1 VAL 57 7.002 2.005 2.140 412 1HG2 VAL 57 1HG2 VAL 57 9.701 4.091 0.169 413 2HG2 VAL 57 2HG2 VAL 57 9.752 2.515 0.960 414 3HG2 VAL 57 3HG2 VAL 57 9.324 3.953 1.886 415 H THR 58 H THR 58 6.697 3.412 -2.293 416 HA THR 58 HA THR 58 9.208 3.560 -3.756 417 HB THR 58 HB THR 58 8.133 1.499 -4.580 418 HG1 THR 58 1HG THR 58 9.331 2.648 -6.073 419 1HG2 THR 58 1HG2 THR 58 5.915 3.254 -5.596 420 2HG2 THR 58 2HG2 THR 58 5.778 2.183 -4.200 421 3HG2 THR 58 3HG2 THR 58 6.090 1.512 -5.801 422 H CYS 59 H CYS 59 7.226 5.349 -2.354 423 HA CYS 59 HA CYS 59 6.369 7.436 -2.592 424 1HB CYS 59 2HB CYS 59 8.334 7.284 -4.845 425 2HB CYS 59 1HB CYS 59 7.265 8.682 -4.727 426 H CYS 60 H CYS 60 4.259 7.519 -2.934 427 HA CYS 60 HA CYS 60 3.177 6.676 -5.525 428 1HB CYS 60 2HB CYS 60 2.212 5.658 -3.466 429 2HB CYS 60 1HB CYS 60 1.711 7.255 -2.936 430 H SER 61 H SER 61 4.576 9.165 -5.298 431 HA SER 61 HA SER 61 2.889 11.381 -4.963 432 1HB SER 61 2HB SER 61 4.594 12.676 -6.007 433 2HB SER 61 1HB SER 61 5.427 11.383 -5.139 434 HG SER 61 HG SER 61 6.194 10.721 -6.972 435 H THR 62 H THR 62 0.946 10.667 -5.947 436 HA THR 62 HA THR 62 0.378 11.791 -8.431 437 HB THR 62 HB THR 62 0.718 8.780 -8.493 438 HG1 THR 62 1HG THR 62 1.840 10.817 -10.113 439 1HG2 THR 62 1HG2 THR 62 -0.241 10.391 -10.819 440 2HG2 THR 62 2HG2 THR 62 -1.376 9.699 -9.661 441 3HG2 THR 62 3HG2 THR 62 -0.293 8.646 -10.570 442 H ASP 63 H ASP 63 -0.353 9.407 -5.987 443 HA ASP 63 HA ASP 63 -2.213 8.978 -4.779 444 1HB ASP 63 2HB ASP 63 -3.032 11.519 -6.121 445 2HB ASP 63 1HB ASP 63 -4.234 10.581 -5.248 446 H LYS 64 H LYS 64 -1.924 7.176 -6.511 447 HA LYS 64 HA LYS 64 -4.437 6.175 -7.114 448 1HB LYS 64 2HB LYS 64 -4.591 6.335 -9.517 449 2HB LYS 64 1HB LYS 64 -4.471 7.957 -8.844 450 1HG LYS 64 2HG LYS 64 -2.003 7.855 -9.359 451 2HG LYS 64 1HG LYS 64 -2.348 6.385 -10.273 452 1HD LYS 64 2HD LYS 64 -4.062 8.715 -10.866 453 2HD LYS 64 1HD LYS 64 -2.371 8.851 -11.354 454 1HE LYS 64 2HE LYS 64 -4.054 6.456 -12.031 455 2HE LYS 64 1HE LYS 64 -3.997 7.887 -13.059 456 1HZ LYS 64 1HZ LYS 64 -2.360 5.856 -13.379 457 2HZ LYS 64 2HZ LYS 64 -1.446 6.723 -12.251 458 3HZ LYS 64 3HZ LYS 64 -1.889 7.447 -13.714 459 H CYS 65 H CYS 65 -2.055 5.269 -5.971 460 HA CYS 65 HA CYS 65 -1.029 3.320 -7.910 461 1HB CYS 65 2HB CYS 65 0.122 3.630 -5.164 462 2HB CYS 65 1HB CYS 65 0.917 3.148 -6.658 463 H ASN 66 H ASN 66 -3.643 3.290 -6.249 464 HA ASN 66 HA ASN 66 -3.297 0.517 -5.354 465 1HB ASN 66 2HB ASN 66 -4.875 1.093 -3.420 466 2HB ASN 66 1HB ASN 66 -3.206 1.638 -3.285 467 1HD2 ASN 66 1HD2 ASN 66 -6.219 2.539 -2.662 468 2HD2 ASN 66 2HD2 ASN 66 -6.092 4.252 -2.848 469 HA PRO 67 HA PRO 67 -7.051 0.808 -7.974 470 1HB PRO 67 2HB PRO 67 -6.603 -1.395 -9.432 471 2HB PRO 67 1HB PRO 67 -5.768 0.124 -9.779 472 1HG PRO 67 2HG PRO 67 -4.780 -2.290 -8.313 473 2HG PRO 67 1HG PRO 67 -3.937 -1.279 -9.500 474 1HD PRO 67 2HD PRO 67 -3.617 -1.058 -6.777 475 2HD PRO 67 1HD PRO 67 -3.327 0.263 -7.925 476 H HIS 68 H HIS 68 -5.665 -2.127 -6.528 477 HA HIS 68 HA HIS 68 -8.329 -2.814 -5.499 478 1HB HIS 68 2HB HIS 68 -6.372 -4.812 -6.652 479 2HB HIS 68 1HB HIS 68 -7.967 -5.168 -6.000 480 HD1 HIS 68 1HD HIS 68 -6.251 -3.795 -9.017 481 HD2 HIS 68 2HD HIS 68 -10.116 -4.573 -7.704 482 HE1 HIS 68 1HE HIS 68 -7.707 -3.595 -11.057 483 HE2 HIS 68 2HE HIS 68 -10.049 -4.015 -10.229 484 HA PRO 69 HA PRO 69 -6.660 -3.479 -1.486 485 1HB PRO 69 2HB PRO 69 -7.414 -6.357 -1.707 486 2HB PRO 69 1HB PRO 69 -7.766 -5.195 -0.427 487 1HG PRO 69 2HG PRO 69 -9.641 -5.899 -2.174 488 2HG PRO 69 1HG PRO 69 -9.512 -4.230 -1.592 489 1HD PRO 69 2HD PRO 69 -8.742 -5.382 -4.228 490 2HD PRO 69 1HD PRO 69 -9.351 -3.761 -3.839 491 H LYS 70 H LYS 70 -6.117 -6.601 -3.126 492 HA LYS 70 HA LYS 70 -3.397 -6.639 -2.114 493 1HB LYS 70 2HB LYS 70 -3.347 -8.926 -2.682 494 2HB LYS 70 1HB LYS 70 -4.976 -8.642 -2.091 495 1HG LYS 70 2HG LYS 70 -4.984 -8.213 -4.891 496 2HG LYS 70 1HG LYS 70 -4.139 -9.729 -4.573 497 1HD LYS 70 2HD LYS 70 -6.801 -9.068 -3.335 498 2HD LYS 70 1HD LYS 70 -6.657 -9.867 -4.902 499 1HE LYS 70 2HE LYS 70 -6.682 -11.755 -3.684 500 2HE LYS 70 1HE LYS 70 -4.984 -11.378 -3.399 501 1HZ LYS 70 1HZ LYS 70 -6.662 -11.839 -1.435 502 2HZ LYS 70 2HZ LYS 70 -6.947 -10.180 -1.598 503 3HZ LYS 70 3HZ LYS 70 -5.384 -10.741 -1.275 504 H GLN 71 H GLN 71 -2.259 -8.209 -4.216 505 HA GLN 71 HA GLN 71 -1.733 -6.057 -6.128 506 1HB GLN 71 2HB GLN 71 0.138 -7.204 -4.879 507 2HB GLN 71 1HB GLN 71 -0.222 -8.652 -5.811 508 1HG GLN 71 2HG GLN 71 0.454 -7.662 -7.821 509 2HG GLN 71 1HG GLN 71 0.405 -6.038 -7.136 510 1HE2 GLN 71 1HE2 GLN 71 2.590 -7.214 -8.522 511 2HE2 GLN 71 2HE2 GLN 71 3.919 -7.303 -7.422 512 H ARG 72 H ARG 72 -4.183 -7.326 -6.453 513 HA ARG 72 HA ARG 72 -4.199 -9.480 -8.242 514 1HB ARG 72 2HB ARG 72 -6.129 -8.269 -6.913 515 2HB ARG 72 1HB ARG 72 -6.299 -7.361 -8.408 516 1HG ARG 72 2HG ARG 72 -7.751 -9.035 -8.853 517 2HG ARG 72 1HG ARG 72 -6.278 -9.802 -9.446 518 1HD ARG 72 2HD ARG 72 -7.709 -10.253 -6.843 519 2HD ARG 72 1HD ARG 72 -7.343 -11.420 -8.111 520 HE ARG 72 HE ARG 72 -5.138 -10.174 -6.634 521 1HH1 ARG 72 1HH1 ARG 72 -7.019 -13.029 -7.379 522 2HH1 ARG 72 2HH1 ARG 72 -5.859 -14.114 -6.695 523 1HH2 ARG 72 1HH2 ARG 72 -3.625 -11.607 -5.738 524 2HH2 ARG 72 2HH2 ARG 72 -3.937 -13.310 -5.762 525 HA PRO 73 HA PRO 73 -2.488 -7.160 -11.723 526 1HB PRO 73 2HB PRO 73 -2.135 -9.301 -13.344 527 2HB PRO 73 1HB PRO 73 -1.024 -8.909 -12.025 528 1HG PRO 73 2HG PRO 73 -3.247 -10.915 -12.099 529 2HG PRO 73 1HG PRO 73 -1.609 -11.084 -11.439 530 1HD PRO 73 2HD PRO 73 -3.770 -10.590 -9.880 531 2HD PRO 73 1HD PRO 73 -2.147 -9.989 -9.486 532 H GLY 74 H GLY 74 -3.364 -6.379 -13.602 533 1HA GLY 74 2HA GLY 74 -4.788 -6.583 -15.530 534 2HA GLY 74 1HA GLY 74 -5.821 -7.663 -14.598 535 1H TYR 181 1HT TYR 181 -5.553 -15.749 23.745 536 2H TYR 181 2HT TYR 181 -4.103 -16.318 24.467 537 3H TYR 181 3HT TYR 181 -5.612 -17.003 24.911 538 HA TYR 181 HA TYR 181 -4.196 -18.324 23.380 539 1HB TYR 181 2HB TYR 181 -7.051 -17.513 22.904 540 2HB TYR 181 1HB TYR 181 -6.287 -18.716 21.870 541 HD1 TYR 181 1HD TYR 181 -8.577 -18.658 24.225 542 HD2 TYR 181 2HD TYR 181 -4.660 -20.248 23.746 543 HE1 TYR 181 1HE TYR 181 -9.088 -20.399 25.885 544 HE2 TYR 181 2HE TYR 181 -5.160 -21.994 25.403 545 HH TYR 181 HH TYR 181 -8.213 -22.768 26.396 546 H ARG 182 H ARG 182 -2.667 -16.518 22.603 547 HA ARG 182 HA ARG 182 -1.584 -15.573 20.841 548 1HB ARG 182 2HB ARG 182 -3.090 -17.692 19.717 549 2HB ARG 182 1HB ARG 182 -3.261 -16.319 18.633 550 1HG ARG 182 2HG ARG 182 -1.396 -17.634 17.925 551 2HG ARG 182 1HG ARG 182 -0.791 -16.113 18.585 552 1HD ARG 182 2HD ARG 182 0.531 -18.058 19.322 553 2HD ARG 182 1HD ARG 182 -0.223 -17.201 20.666 554 HE ARG 182 HE ARG 182 -1.774 -19.414 19.686 555 1HH1 ARG 182 1HH1 ARG 182 0.778 -18.447 21.860 556 2HH1 ARG 182 2HH1 ARG 182 0.561 -19.801 22.917 557 1HH2 ARG 182 1HH2 ARG 182 -2.062 -21.195 21.075 558 2HH2 ARG 182 2HH2 ARG 182 -1.051 -21.362 22.471 559 H GLY 183 H GLY 183 -4.877 -15.535 19.499 560 1HA GLY 183 2HA GLY 183 -6.355 -13.739 19.314 561 2HA GLY 183 1HA GLY 183 -5.154 -12.704 20.073 562 H TRP 184 H TRP 184 -4.319 -14.722 17.363 563 HA TRP 184 HA TRP 184 -3.276 -12.597 15.858 564 1HB TRP 184 2HB TRP 184 -3.129 -14.235 14.009 565 2HB TRP 184 1HB TRP 184 -2.516 -14.884 15.526 566 HD1 TRP 184 HD TRP 184 -6.140 -15.024 15.821 567 HE1 TRP 184 1HE TRP 184 -7.042 -17.358 15.219 568 HE3 TRP 184 3HE TRP 184 -1.989 -16.934 13.528 569 HZ2 TRP 184 2HZ TRP 184 -6.117 -19.698 13.940 570 HZ3 TRP 184 3HZ TRP 184 -2.079 -19.228 12.643 571 HH2 TRP 184 HH TRP 184 -4.102 -20.581 12.846 572 H LYS 185 H LYS 185 -4.026 -12.390 13.423 573 HA LYS 185 HA LYS 185 -6.770 -12.554 12.823 574 1HB LYS 185 2HB LYS 185 -7.123 -9.991 12.804 575 2HB LYS 185 1HB LYS 185 -7.303 -10.858 14.320 576 1HG LYS 185 2HG LYS 185 -5.882 -9.417 15.217 577 2HG LYS 185 1HG LYS 185 -4.614 -10.140 14.228 578 1HD LYS 185 2HD LYS 185 -5.517 -8.533 12.386 579 2HD LYS 185 1HD LYS 185 -6.204 -7.654 13.753 580 1HE LYS 185 2HE LYS 185 -4.186 -6.945 14.483 581 2HE LYS 185 1HE LYS 185 -3.377 -8.442 14.022 582 1HZ LYS 185 1HZ LYS 185 -2.905 -6.232 12.752 583 2HZ LYS 185 2HZ LYS 185 -4.314 -6.638 11.908 584 3HZ LYS 185 3HZ LYS 185 -2.997 -7.697 11.910 585 H HIS 186 H HIS 186 -4.124 -10.205 12.288 586 HA HIS 186 HA HIS 186 -4.076 -10.992 9.475 587 1HB HIS 186 2HB HIS 186 -4.160 -8.075 10.245 588 2HB HIS 186 1HB HIS 186 -4.292 -8.778 8.632 589 HD1 HIS 186 1HD HIS 186 -6.335 -7.159 10.935 590 HD2 HIS 186 2HD HIS 186 -6.777 -10.661 8.743 591 HE1 HIS 186 1HE HIS 186 -8.808 -7.597 10.861 592 HE2 HIS 186 2HE HIS 186 -9.046 -9.769 9.606 593 H TRP 187 H TRP 187 -2.049 -11.899 9.765 594 HA TRP 187 HA TRP 187 0.110 -10.723 11.108 595 1HB TRP 187 2HB TRP 187 -0.335 -13.012 9.401 596 2HB TRP 187 1HB TRP 187 1.190 -12.234 8.990 597 HD1 TRP 187 HD TRP 187 -0.523 -14.179 11.785 598 HE1 TRP 187 1HE TRP 187 1.251 -14.895 13.506 599 HE3 TRP 187 3HE TRP 187 3.472 -11.547 9.978 600 HZ2 TRP 187 2HZ TRP 187 3.982 -14.409 14.029 601 HZ3 TRP 187 3HZ TRP 187 5.629 -11.729 11.148 602 HH2 TRP 187 HH TRP 187 5.877 -13.130 13.131 603 H VAL 188 H VAL 188 -0.091 -11.081 7.573 604 HA VAL 188 HA VAL 188 1.668 -8.843 7.177 605 HB VAL 188 HB VAL 188 0.221 -9.889 4.828 606 1HG1 VAL 188 1HG1 VAL 188 2.156 -9.418 3.767 607 2HG1 VAL 188 2HG1 VAL 188 3.155 -10.041 5.081 608 3HG1 VAL 188 3HG1 VAL 188 2.443 -8.432 5.201 609 1HG2 VAL 188 1HG2 VAL 188 1.704 -11.695 6.680 610 2HG2 VAL 188 2HG2 VAL 188 1.871 -11.936 4.941 611 3HG2 VAL 188 3HG2 VAL 188 0.278 -12.016 5.694 612 H TYR 189 H TYR 189 0.629 -7.652 4.885 613 HA TYR 189 HA TYR 189 -1.632 -6.179 6.027 614 1HB TYR 189 2HB TYR 189 0.191 -5.317 3.782 615 2HB TYR 189 1HB TYR 189 -0.933 -4.312 4.697 616 HD1 TYR 189 1HD TYR 189 -0.469 -4.066 7.230 617 HD2 TYR 189 2HD TYR 189 2.419 -5.467 4.438 618 HE1 TYR 189 1HE TYR 189 1.325 -3.504 8.813 619 HE2 TYR 189 2HE TYR 189 4.222 -4.909 6.014 620 HH TYR 189 HH TYR 189 4.623 -3.464 7.917 621 H TYR 190 H TYR 190 -3.442 -7.232 5.326 622 HA TYR 190 HA TYR 190 -3.790 -7.405 2.404 623 1HB TYR 190 2HB TYR 190 -5.581 -9.194 3.790 624 2HB TYR 190 1HB TYR 190 -4.421 -9.549 2.514 625 HD1 TYR 190 1HD TYR 190 -4.505 -8.894 6.197 626 HD2 TYR 190 2HD TYR 190 -2.715 -11.025 2.979 627 HE1 TYR 190 1HE TYR 190 -3.148 -10.168 7.802 628 HE2 TYR 190 2HE TYR 190 -1.354 -12.304 4.575 629 HH TYR 190 HH TYR 190 -1.818 -12.886 7.334 630 H THR 191 H THR 191 -5.019 -5.696 1.916 631 HA THR 191 HA THR 191 -7.158 -4.867 3.709 632 HB THR 191 HB THR 191 -7.398 -3.130 1.717 633 HG1 THR 191 1HG THR 191 -5.940 -3.960 0.306 634 1HG2 THR 191 1HG2 THR 191 -6.324 -2.961 4.173 635 2HG2 THR 191 2HG2 THR 191 -6.342 -1.634 3.011 636 3HG2 THR 191 3HG2 THR 191 -4.901 -2.638 3.182 637 H CYS 192 H CYS 192 -7.155 -7.354 1.888 638 HA CYS 192 HA CYS 192 -8.842 -7.310 -0.222 639 1HB CYS 192 2HB CYS 192 -8.308 -9.476 0.143 640 2HB CYS 192 1HB CYS 192 -8.237 -9.269 1.882 641 H CYS 193 H CYS 193 -11.039 -8.261 -0.250 642 HA CYS 193 HA CYS 193 -13.276 -7.853 -0.008 643 1HB CYS 193 2HB CYS 193 -13.469 -7.969 2.798 644 2HB CYS 193 1HB CYS 193 -13.605 -9.306 1.665 645 HA PRO 194 HA PRO 194 -12.798 -3.288 0.785 646 1HB PRO 194 2HB PRO 194 -15.063 -3.416 -1.144 647 2HB PRO 194 1HB PRO 194 -13.667 -2.332 -1.116 648 1HG PRO 194 2HG PRO 194 -13.786 -4.335 -2.861 649 2HG PRO 194 1HG PRO 194 -12.257 -3.909 -2.071 650 1HD PRO 194 2HD PRO 194 -14.107 -6.189 -1.521 651 2HD PRO 194 1HD PRO 194 -12.332 -6.138 -1.475 652 H ASP 195 H ASP 195 -14.551 -1.699 1.366 653 HA ASP 195 HA ASP 195 -16.159 -2.800 3.443 654 1HB ASP 195 2HB ASP 195 -15.956 -0.016 2.281 655 2HB ASP 195 1HB ASP 195 -16.976 -0.415 3.661 656 H THR 196 H THR 196 -18.500 -1.212 3.268 657 HA THR 196 HA THR 196 -19.982 -2.817 1.350 658 HB THR 196 HB THR 196 -21.987 -1.860 2.522 659 HG1 THR 196 1HG THR 196 -20.100 -0.838 4.367 660 1HG2 THR 196 1HG2 THR 196 -20.787 -2.812 4.885 661 2HG2 THR 196 2HG2 THR 196 -20.104 -3.730 3.542 662 3HG2 THR 196 3HG2 THR 196 -21.852 -3.672 3.771 663 HA PRO 197 HA PRO 197 -20.659 1.775 -0.218 664 1HB PRO 197 2HB PRO 197 -17.884 2.048 -1.181 665 2HB PRO 197 1HB PRO 197 -18.917 3.245 -0.395 666 1HG PRO 197 2HG PRO 197 -16.822 2.132 0.866 667 2HG PRO 197 1HG PRO 197 -18.308 2.577 1.722 668 1HD PRO 197 2HD PRO 197 -17.364 -0.117 0.833 669 2HD PRO 197 1HD PRO 197 -18.205 0.357 2.323 670 H TYR 198 H TYR 198 -20.127 -1.154 -0.927 671 HA TYR 198 HA TYR 198 -19.347 -1.236 -3.665 672 1HB TYR 198 2HB TYR 198 -19.112 -3.000 -1.757 673 2HB TYR 198 1HB TYR 198 -20.782 -3.406 -2.144 674 HD1 TYR 198 1HD TYR 198 -18.086 -5.035 -2.389 675 HD2 TYR 198 2HD TYR 198 -20.555 -2.979 -5.181 676 HE1 TYR 198 1HE TYR 198 -17.290 -6.518 -4.180 677 HE2 TYR 198 2HE TYR 198 -19.765 -4.457 -6.976 678 HH TYR 198 HH TYR 198 -18.740 -7.007 -6.947 Start of MODEL 9 1 1H ILE 1 1HT ILE 1 -4.170 15.840 -8.286 2 2H ILE 1 2HT ILE 1 -4.550 16.877 -6.971 3 3H ILE 1 3HT ILE 1 -4.923 15.204 -6.884 4 HA ILE 1 HA ILE 1 -2.411 14.937 -7.282 5 HB ILE 1 HB ILE 1 -2.471 17.559 -5.800 6 1HG1 ILE 1 2HG1 ILE 1 -1.166 17.917 -8.269 7 2HG1 ILE 1 1HG1 ILE 1 -2.678 17.097 -8.645 8 1HG2 ILE 1 1HG2 ILE 1 -0.082 17.520 -6.093 9 2HG2 ILE 1 2HG2 ILE 1 -0.191 16.059 -7.073 10 3HG2 ILE 1 3HG2 ILE 1 -0.602 16.003 -5.360 11 1HD1 ILE 1 1HD1 ILE 1 -3.384 19.247 -8.742 12 2HD1 ILE 1 2HD1 ILE 1 -2.203 19.806 -7.556 13 3HD1 ILE 1 3HD1 ILE 1 -3.650 18.948 -7.024 14 H VAL 2 H VAL 2 -4.094 13.512 -5.949 15 HA VAL 2 HA VAL 2 -2.986 13.351 -3.308 16 HB VAL 2 HB VAL 2 -5.085 15.016 -3.385 17 1HG1 VAL 2 1HG1 VAL 2 -6.532 13.124 -4.260 18 2HG1 VAL 2 2HG1 VAL 2 -7.147 14.007 -2.863 19 3HG1 VAL 2 3HG1 VAL 2 -6.410 12.420 -2.647 20 1HG2 VAL 2 1HG2 VAL 2 -5.104 14.887 -1.087 21 2HG2 VAL 2 2HG2 VAL 2 -3.556 14.135 -1.470 22 3HG2 VAL 2 3HG2 VAL 2 -4.950 13.132 -1.078 23 H CYS 3 H CYS 3 -4.319 11.554 -2.042 24 HA CYS 3 HA CYS 3 -4.083 9.187 -3.584 25 1HB CYS 3 2HB CYS 3 -5.527 9.369 -0.946 26 2HB CYS 3 1HB CYS 3 -4.592 8.022 -1.594 27 H HIS 4 H HIS 4 -6.344 7.679 -2.626 28 HA HIS 4 HA HIS 4 -8.710 9.018 -3.577 29 1HB HIS 4 2HB HIS 4 -9.155 7.411 -5.413 30 2HB HIS 4 1HB HIS 4 -7.757 8.441 -5.713 31 HD1 HIS 4 1HD HIS 4 -6.919 5.759 -3.398 32 HD2 HIS 4 2HD HIS 4 -7.103 6.229 -7.521 33 HE1 HIS 4 1HE HIS 4 -5.632 3.827 -4.352 34 HE2 HIS 4 2HE HIS 4 -5.861 4.067 -6.847 35 H THR 5 H THR 5 -10.582 8.073 -2.962 36 HA THR 5 HA THR 5 -10.667 6.440 -0.756 37 HB THR 5 HB THR 5 -13.023 6.440 -1.043 38 HG1 THR 5 1HG THR 5 -12.984 5.637 -3.232 39 1HG2 THR 5 1HG2 THR 5 -13.328 8.621 -0.927 40 2HG2 THR 5 2HG2 THR 5 -12.790 8.862 -2.590 41 3HG2 THR 5 3HG2 THR 5 -11.608 8.775 -1.284 42 H THR 6 H THR 6 -10.634 5.599 -4.143 43 HA THR 6 HA THR 6 -11.547 2.957 -3.969 44 HB THR 6 HB THR 6 -9.357 3.629 -5.879 45 HG1 THR 6 1HG THR 6 -11.969 4.700 -6.108 46 1HG2 THR 6 1HG2 THR 6 -10.823 1.505 -5.882 47 2HG2 THR 6 2HG2 THR 6 -10.508 2.343 -7.402 48 3HG2 THR 6 3HG2 THR 6 -12.052 2.561 -6.578 49 H ALA 7 H ALA 7 -8.891 4.331 -2.499 50 HA ALA 7 HA ALA 7 -7.009 2.189 -2.759 51 1HB ALA 7 1HB ALA 7 -7.226 4.596 -0.996 52 2HB ALA 7 2HB ALA 7 -6.009 4.204 -2.212 53 3HB ALA 7 3HB ALA 7 -6.018 3.353 -0.666 54 H THR 8 H THR 8 -6.786 0.369 -1.599 55 HA THR 8 HA THR 8 -7.187 -1.297 -0.102 56 HB THR 8 HB THR 8 -8.162 0.977 1.643 57 HG1 THR 8 1HG THR 8 -6.062 1.346 1.340 58 1HG2 THR 8 1HG2 THR 8 -7.857 -1.904 2.171 59 2HG2 THR 8 2HG2 THR 8 -8.916 -0.712 2.923 60 3HG2 THR 8 3HG2 THR 8 -7.218 -0.802 3.390 61 H SER 9 H SER 9 -9.884 0.816 0.827 62 HA SER 9 HA SER 9 -11.731 -1.356 0.145 63 1HB SER 9 2HB SER 9 -13.159 0.650 1.481 64 2HB SER 9 1HB SER 9 -12.572 -0.862 2.171 65 HG SER 9 HG SER 9 -10.890 0.164 3.041 66 HA PRO 10 HA PRO 10 -13.907 0.627 -3.146 67 1HB PRO 10 2HB PRO 10 -16.371 1.334 -2.033 68 2HB PRO 10 1HB PRO 10 -15.982 -0.227 -2.764 69 1HG PRO 10 2HG PRO 10 -15.972 0.572 0.117 70 2HG PRO 10 1HG PRO 10 -16.518 -0.944 -0.625 71 1HD PRO 10 2HD PRO 10 -14.182 -0.832 0.624 72 2HD PRO 10 1HD PRO 10 -14.334 -1.731 -0.900 73 H ILE 11 H ILE 11 -14.448 2.266 -0.051 74 HA ILE 11 HA ILE 11 -13.508 4.762 -1.202 75 HB ILE 11 HB ILE 11 -16.137 4.742 0.255 76 1HG1 ILE 11 2HG1 ILE 11 -15.642 4.770 -2.730 77 2HG1 ILE 11 1HG1 ILE 11 -16.454 3.503 -1.818 78 1HG2 ILE 11 1HG2 ILE 11 -14.698 6.811 0.199 79 2HG2 ILE 11 2HG2 ILE 11 -16.339 6.999 -0.418 80 3HG2 ILE 11 3HG2 ILE 11 -14.985 6.858 -1.540 81 1HD1 ILE 11 1HD1 ILE 11 -18.389 4.523 -2.114 82 2HD1 ILE 11 2HD1 ILE 11 -17.575 5.778 -3.049 83 3HD1 ILE 11 3HD1 ILE 11 -17.775 5.965 -1.307 84 H SER 12 H SER 12 -12.176 5.733 0.224 85 HA SER 12 HA SER 12 -12.689 5.354 3.089 86 1HB SER 12 2HB SER 12 -9.841 5.239 2.282 87 2HB SER 12 1HB SER 12 -10.688 4.383 3.570 88 HG SER 12 HG SER 12 -10.653 2.755 2.252 89 H ALA 13 H ALA 13 -11.633 7.384 0.529 90 HA ALA 13 HA ALA 13 -10.972 9.560 0.439 91 1HB ALA 13 1HB ALA 13 -12.092 11.031 1.808 92 2HB ALA 13 2HB ALA 13 -11.929 10.001 3.230 93 3HB ALA 13 3HB ALA 13 -13.092 9.588 1.971 94 H VAL 14 H VAL 14 -8.841 8.145 0.806 95 HA VAL 14 HA VAL 14 -7.425 8.906 3.220 96 HB VAL 14 HB VAL 14 -7.196 6.629 2.474 97 1HG1 VAL 14 1HG1 VAL 14 -7.547 6.367 0.269 98 2HG1 VAL 14 2HG1 VAL 14 -5.793 6.516 0.166 99 3HG1 VAL 14 3HG1 VAL 14 -6.817 7.919 -0.142 100 1HG2 VAL 14 1HG2 VAL 14 -4.557 7.650 1.621 101 2HG2 VAL 14 2HG2 VAL 14 -4.970 6.437 2.834 102 3HG2 VAL 14 3HG2 VAL 14 -5.132 8.152 3.211 103 H THR 15 H THR 15 -8.165 10.957 1.210 104 HA THR 15 HA THR 15 -5.812 11.662 -0.235 105 HB THR 15 HB THR 15 -6.992 13.677 -0.832 106 HG1 THR 15 1HG THR 15 -8.663 13.002 1.344 107 1HG2 THR 15 1HG2 THR 15 -8.545 12.721 -2.111 108 2HG2 THR 15 2HG2 THR 15 -9.388 12.017 -0.731 109 3HG2 THR 15 3HG2 THR 15 -7.976 11.207 -1.410 110 H CYS 16 H CYS 16 -4.034 12.567 0.548 111 HA CYS 16 HA CYS 16 -3.669 13.326 3.210 112 1HB CYS 16 2HB CYS 16 -1.987 12.826 1.192 113 2HB CYS 16 1HB CYS 16 -1.959 14.587 1.121 114 HA PRO 17 HA PRO 17 -5.561 17.315 3.504 115 1HB PRO 17 2HB PRO 17 -3.324 18.067 5.290 116 2HB PRO 17 1HB PRO 17 -5.061 18.061 5.599 117 1HG PRO 17 2HG PRO 17 -3.445 16.207 6.662 118 2HG PRO 17 1HG PRO 17 -5.097 15.821 6.146 119 1HD PRO 17 2HD PRO 17 -2.499 15.213 4.806 120 2HD PRO 17 1HD PRO 17 -3.981 14.240 4.895 121 HA PRO 18 HA PRO 18 -1.952 20.085 2.054 122 1HB PRO 18 2HB PRO 18 0.566 19.183 2.007 123 2HB PRO 18 1HB PRO 18 -0.179 19.749 3.507 124 1HG PRO 18 2HG PRO 18 0.257 16.953 2.544 125 2HG PRO 18 1HG PRO 18 0.448 17.619 4.175 126 1HD PRO 18 2HD PRO 18 -1.761 16.212 3.302 127 2HD PRO 18 1HD PRO 18 -1.760 17.339 4.667 128 H GLY 19 H GLY 19 -0.079 20.026 0.217 129 1HA GLY 19 2HA GLY 19 -1.119 18.192 -1.855 130 2HA GLY 19 1HA GLY 19 -0.514 19.815 -2.180 131 H GLU 20 H GLU 20 0.282 17.099 -3.192 132 HA GLU 20 HA GLU 20 2.185 15.993 -3.777 133 1HB GLU 20 2HB GLU 20 3.678 18.459 -2.887 134 2HB GLU 20 1HB GLU 20 4.163 17.287 -4.104 135 1HG GLU 20 2HG GLU 20 1.733 18.212 -5.026 136 2HG GLU 20 1HG GLU 20 2.501 19.647 -4.349 137 H ASN 21 H ASN 21 1.640 14.693 -1.817 138 HA ASN 21 HA ASN 21 3.774 14.914 0.199 139 1HB ASN 21 2HB ASN 21 1.836 13.402 1.429 140 2HB ASN 21 1HB ASN 21 2.081 15.133 1.666 141 1HD2 ASN 21 1HD2 ASN 21 0.390 12.830 -0.427 142 2HD2 ASN 21 2HD2 ASN 21 -1.016 13.808 -0.657 143 H LEU 22 H LEU 22 2.631 13.053 -2.336 144 HA LEU 22 HA LEU 22 3.157 10.980 -3.111 145 1HB LEU 22 2HB LEU 22 5.208 10.704 -0.944 146 2HB LEU 22 1HB LEU 22 5.259 10.099 -2.585 147 HG LEU 22 HG LEU 22 5.937 12.811 -1.545 148 1HD1 LEU 22 1HD1 LEU 22 7.959 12.240 -2.247 149 2HD1 LEU 22 2HD1 LEU 22 7.356 11.901 -3.869 150 3HD1 LEU 22 3HD1 LEU 22 7.325 10.641 -2.637 151 1HD2 LEU 22 1HD2 LEU 22 4.490 13.666 -3.099 152 2HD2 LEU 22 2HD2 LEU 22 4.608 12.252 -4.142 153 3HD2 LEU 22 3HD2 LEU 22 5.918 13.428 -4.106 154 H CYS 23 H CYS 23 1.182 10.063 -2.471 155 HA CYS 23 HA CYS 23 0.546 9.093 0.071 156 1HB CYS 23 2HB CYS 23 -0.868 9.380 -2.153 157 2HB CYS 23 1HB CYS 23 -0.483 7.670 -2.342 158 H TYR 24 H TYR 24 2.699 8.144 0.606 159 HA TYR 24 HA TYR 24 2.950 5.387 -0.397 160 1HB TYR 24 2HB TYR 24 5.221 5.597 -0.420 161 2HB TYR 24 1HB TYR 24 4.803 7.289 -0.642 162 HD1 TYR 24 1HD TYR 24 7.270 5.710 0.651 163 HD2 TYR 24 2HD TYR 24 4.037 8.015 2.171 164 HE1 TYR 24 1HE TYR 24 8.611 6.256 2.638 165 HE2 TYR 24 2HE TYR 24 5.367 8.558 4.167 166 HH TYR 24 HH TYR 24 7.799 7.013 5.248 167 H ARG 25 H ARG 25 3.658 3.740 1.129 168 HA ARG 25 HA ARG 25 3.389 4.428 3.936 169 1HB ARG 25 2HB ARG 25 1.117 3.808 3.234 170 2HB ARG 25 1HB ARG 25 1.717 2.248 2.702 171 1HG ARG 25 2HG ARG 25 2.353 1.697 4.983 172 2HG ARG 25 1HG ARG 25 1.783 3.276 5.527 173 1HD ARG 25 2HD ARG 25 -0.329 2.121 4.069 174 2HD ARG 25 1HD ARG 25 0.305 0.853 5.117 175 HE ARG 25 HE ARG 25 0.078 2.958 6.789 176 1HH1 ARG 25 1HH1 ARG 25 -2.144 1.455 4.556 177 2HH1 ARG 25 2HH1 ARG 25 -3.547 1.861 5.485 178 1HH2 ARG 25 1HH2 ARG 25 -1.767 3.493 8.012 179 2HH2 ARG 25 2HH2 ARG 25 -3.334 3.019 7.447 180 H LYS 26 H LYS 26 3.223 1.257 2.382 181 HA LYS 26 HA LYS 26 5.914 0.538 2.538 182 1HB LYS 26 2HB LYS 26 4.486 0.438 5.069 183 2HB LYS 26 1HB LYS 26 5.094 -1.146 4.608 184 1HG LYS 26 2HG LYS 26 7.330 0.047 4.211 185 2HG LYS 26 1HG LYS 26 6.627 1.371 5.142 186 1HD LYS 26 2HD LYS 26 6.785 -1.475 6.122 187 2HD LYS 26 1HD LYS 26 7.994 -0.243 6.485 188 1HE LYS 26 2HE LYS 26 5.102 -0.325 7.308 189 2HE LYS 26 1HE LYS 26 6.532 -0.291 8.339 190 1HZ LYS 26 1HZ LYS 26 5.334 1.905 6.774 191 2HZ LYS 26 2HZ LYS 26 6.958 1.968 7.244 192 3HZ LYS 26 3HZ LYS 26 5.743 1.872 8.415 193 H MET 27 H MET 27 5.836 -0.827 0.867 194 HA MET 27 HA MET 27 3.542 -2.579 0.487 195 1HB MET 27 2HB MET 27 5.172 -1.224 -1.257 196 2HB MET 27 1HB MET 27 5.812 -2.857 -1.360 197 1HG MET 27 2HG MET 27 2.979 -3.008 -1.452 198 2HG MET 27 1HG MET 27 3.508 -1.775 -2.595 199 1HE MET 27 1HE MET 27 4.085 -2.766 -5.273 200 2HE MET 27 2HE MET 27 5.683 -3.485 -5.079 201 3HE MET 27 3HE MET 27 5.266 -2.014 -4.201 202 H TRP 28 H TRP 28 3.497 -4.616 1.200 203 HA TRP 28 HA TRP 28 5.926 -5.830 2.230 204 1HB TRP 28 2HB TRP 28 3.139 -6.022 2.824 205 2HB TRP 28 1HB TRP 28 3.724 -7.628 2.401 206 HD1 TRP 28 HD TRP 28 5.026 -4.741 4.669 207 HE1 TRP 28 1HE TRP 28 5.881 -5.790 6.857 208 HE3 TRP 28 3HE TRP 28 4.123 -9.665 3.618 209 HZ2 TRP 28 2HZ TRP 28 6.139 -8.364 7.989 210 HZ3 TRP 28 3HZ TRP 28 4.703 -11.356 5.309 211 HH2 TRP 28 HH TRP 28 5.691 -10.717 7.448 212 H CYS 29 H CYS 29 5.868 -8.394 1.859 213 HA CYS 29 HA CYS 29 5.192 -9.174 -0.828 214 1HB CYS 29 2HB CYS 29 8.006 -8.521 -0.048 215 2HB CYS 29 1HB CYS 29 7.717 -9.854 -1.167 216 H ASP 30 H ASP 30 6.467 -11.427 -1.220 217 HA ASP 30 HA ASP 30 5.954 -13.000 1.213 218 1HB ASP 30 2HB ASP 30 5.228 -13.367 -1.584 219 2HB ASP 30 1HB ASP 30 6.030 -14.786 -0.917 220 H ALA 31 H ALA 31 7.763 -13.719 -1.759 221 HA ALA 31 HA ALA 31 10.144 -14.222 -0.099 222 1HB ALA 31 1HB ALA 31 9.076 -15.931 -2.340 223 2HB ALA 31 2HB ALA 31 9.235 -16.370 -0.639 224 3HB ALA 31 3HB ALA 31 10.676 -16.123 -1.625 225 H PHE 32 H PHE 32 9.384 -14.286 -3.580 226 HA PHE 32 HA PHE 32 11.723 -12.575 -4.045 227 1HB PHE 32 2HB PHE 32 11.509 -14.816 -5.213 228 2HB PHE 32 1HB PHE 32 10.164 -14.124 -6.115 229 HD1 PHE 32 1HD PHE 32 13.731 -13.434 -5.289 230 HD2 PHE 32 2HD PHE 32 10.585 -13.110 -8.136 231 HE1 PHE 32 1HE PHE 32 15.314 -12.504 -6.927 232 HE2 PHE 32 2HE PHE 32 12.163 -12.182 -9.781 233 HZ PHE 32 HZ PHE 32 14.531 -11.878 -9.177 234 H CYS 33 H CYS 33 8.265 -12.746 -4.421 235 HA CYS 33 HA CYS 33 6.704 -11.207 -5.017 236 1HB CYS 33 2HB CYS 33 8.676 -9.788 -3.654 237 2HB CYS 33 1HB CYS 33 8.402 -8.845 -5.114 238 H SER 34 H SER 34 6.543 -12.092 -7.117 239 HA SER 34 HA SER 34 8.044 -10.733 -9.234 240 1HB SER 34 2HB SER 34 6.952 -12.532 -10.689 241 2HB SER 34 1HB SER 34 8.134 -13.087 -9.503 242 HG SER 34 HG SER 34 6.469 -14.408 -9.147 243 H SER 35 H SER 35 4.680 -11.764 -8.623 244 HA SER 35 HA SER 35 3.777 -9.265 -9.871 245 1HB SER 35 2HB SER 35 1.832 -10.776 -10.791 246 2HB SER 35 1HB SER 35 3.359 -10.670 -11.666 247 HG SER 35 HG SER 35 3.950 -12.641 -10.872 248 H ARG 36 H ARG 36 4.009 -10.067 -7.087 249 HA ARG 36 HA ARG 36 1.175 -10.226 -6.315 250 1HB ARG 36 2HB ARG 36 3.650 -11.310 -5.170 251 2HB ARG 36 1HB ARG 36 2.594 -10.553 -3.986 252 1HG ARG 36 2HG ARG 36 0.875 -12.065 -4.363 253 2HG ARG 36 1HG ARG 36 1.513 -12.546 -5.937 254 1HD ARG 36 2HD ARG 36 2.918 -14.064 -5.045 255 2HD ARG 36 1HD ARG 36 3.312 -13.038 -3.666 256 HE ARG 36 HE ARG 36 1.704 -14.117 -2.455 257 1HH1 ARG 36 1HH1 ARG 36 1.171 -14.761 -5.843 258 2HH1 ARG 36 2HH1 ARG 36 -0.075 -15.928 -5.553 259 1HH2 ARG 36 1HH2 ARG 36 0.065 -15.652 -2.072 260 2HH2 ARG 36 2HH2 ARG 36 -0.704 -16.434 -3.413 261 H GLY 37 H GLY 37 3.940 -8.972 -4.486 262 1HA GLY 37 2HA GLY 37 4.191 -7.003 -3.326 263 2HA GLY 37 1HA GLY 37 3.618 -6.260 -4.811 264 H LYS 38 H LYS 38 1.811 -8.385 -2.636 265 HA LYS 38 HA LYS 38 -0.386 -6.566 -2.575 266 1HB LYS 38 2HB LYS 38 -1.485 -8.210 -1.181 267 2HB LYS 38 1HB LYS 38 -0.671 -9.023 -2.510 268 1HG LYS 38 2HG LYS 38 0.872 -8.750 -0.012 269 2HG LYS 38 1HG LYS 38 -0.515 -9.837 0.031 270 1HD LYS 38 2HD LYS 38 0.572 -11.388 -1.143 271 2HD LYS 38 1HD LYS 38 1.030 -10.215 -2.380 272 1HE LYS 38 2HE LYS 38 2.915 -9.495 -1.003 273 2HE LYS 38 1HE LYS 38 2.451 -10.650 0.244 274 1HZ LYS 38 1HZ LYS 38 3.746 -11.112 -2.327 275 2HZ LYS 38 2HZ LYS 38 2.644 -12.286 -1.809 276 3HZ LYS 38 3HZ LYS 38 3.976 -11.892 -0.844 277 H VAL 39 H VAL 39 -1.429 -6.331 -0.219 278 HA VAL 39 HA VAL 39 -1.327 -5.411 1.875 279 HB VAL 39 HB VAL 39 1.686 -5.413 1.644 280 1HG1 VAL 39 1HG1 VAL 39 0.886 -5.639 4.307 281 2HG1 VAL 39 2HG1 VAL 39 -0.164 -4.405 3.613 282 3HG1 VAL 39 3HG1 VAL 39 1.587 -4.227 3.521 283 1HG2 VAL 39 1HG2 VAL 39 -0.242 -7.520 2.549 284 2HG2 VAL 39 2HG2 VAL 39 1.370 -7.422 3.258 285 3HG2 VAL 39 3HG2 VAL 39 1.183 -7.677 1.525 286 H VAL 40 H VAL 40 -0.311 -4.158 -0.985 287 HA VAL 40 HA VAL 40 0.151 -2.096 -1.819 288 HB VAL 40 HB VAL 40 -1.486 -0.410 -1.249 289 1HG1 VAL 40 1HG1 VAL 40 -2.947 -3.012 -0.987 290 2HG1 VAL 40 2HG1 VAL 40 -2.092 -2.591 -2.471 291 3HG1 VAL 40 3HG1 VAL 40 -3.403 -1.565 -1.887 292 1HG2 VAL 40 1HG2 VAL 40 -1.332 -0.631 1.204 293 2HG2 VAL 40 2HG2 VAL 40 -2.227 -2.147 1.105 294 3HG2 VAL 40 3HG2 VAL 40 -3.000 -0.634 0.630 295 H GLU 41 H GLU 41 0.213 0.432 -0.967 296 HA GLU 41 HA GLU 41 1.638 0.805 1.461 297 1HB GLU 41 2HB GLU 41 3.840 1.283 0.541 298 2HB GLU 41 1HB GLU 41 3.362 -0.363 0.152 299 1HG GLU 41 2HG GLU 41 3.865 0.071 -1.953 300 2HG GLU 41 1HG GLU 41 2.469 1.146 -1.997 301 H LEU 42 H LEU 42 0.153 2.548 1.682 302 HA LEU 42 HA LEU 42 1.084 4.964 0.447 303 1HB LEU 42 2HB LEU 42 -0.936 5.617 -0.649 304 2HB LEU 42 1HB LEU 42 -0.477 4.035 -1.249 305 HG LEU 42 HG LEU 42 -2.183 3.451 0.856 306 1HD1 LEU 42 1HD1 LEU 42 -3.406 5.695 -0.736 307 2HD1 LEU 42 2HD1 LEU 42 -2.780 5.874 0.902 308 3HD1 LEU 42 3HD1 LEU 42 -4.137 4.792 0.592 309 1HD2 LEU 42 1HD2 LEU 42 -2.302 3.426 -2.100 310 2HD2 LEU 42 2HD2 LEU 42 -3.824 3.218 -1.234 311 3HD2 LEU 42 3HD2 LEU 42 -2.485 2.108 -0.943 312 H GLY 43 H GLY 43 0.968 6.569 1.783 313 1HA GLY 43 2HA GLY 43 -1.207 6.893 3.659 314 2HA GLY 43 1HA GLY 43 0.352 6.538 4.395 315 H CYS 44 H CYS 44 1.066 8.166 1.646 316 HA CYS 44 HA CYS 44 1.785 10.235 1.174 317 1HB CYS 44 2HB CYS 44 0.200 11.888 1.307 318 2HB CYS 44 1HB CYS 44 -0.799 10.465 1.582 319 H ALA 45 H ALA 45 3.435 11.404 1.759 320 HA ALA 45 HA ALA 45 3.767 12.381 4.464 321 1HB ALA 45 1HB ALA 45 4.792 10.284 4.817 322 2HB ALA 45 2HB ALA 45 6.111 11.430 4.579 323 3HB ALA 45 3HB ALA 45 5.634 10.351 3.269 324 H ALA 46 H ALA 46 4.205 14.452 4.105 325 HA ALA 46 HA ALA 46 5.125 15.525 1.691 326 1HB ALA 46 1HB ALA 46 4.882 17.558 2.671 327 2HB ALA 46 2HB ALA 46 5.622 17.042 4.188 328 3HB ALA 46 3HB ALA 46 3.956 16.590 3.819 329 H THR 47 H THR 47 6.986 14.148 1.245 330 HA THR 47 HA THR 47 9.396 15.387 1.384 331 HB THR 47 HB THR 47 9.711 15.278 3.674 332 HG1 THR 47 1HG THR 47 11.521 14.356 2.843 333 1HG2 THR 47 1HG2 THR 47 9.326 12.612 4.491 334 2HG2 THR 47 2HG2 THR 47 7.877 13.111 3.619 335 3HG2 THR 47 3HG2 THR 47 8.446 14.054 4.997 336 H CYS 48 H CYS 48 8.920 11.984 2.344 337 HA CYS 48 HA CYS 48 9.619 10.048 1.336 338 1HB CYS 48 2HB CYS 48 7.709 11.394 -0.281 339 2HB CYS 48 1HB CYS 48 8.863 10.605 -1.350 340 HA PRO 49 HA PRO 49 13.373 11.671 -0.792 341 1HB PRO 49 2HB PRO 49 15.077 11.866 1.285 342 2HB PRO 49 1HB PRO 49 13.942 13.159 0.891 343 1HG PRO 49 2HG PRO 49 13.926 11.295 3.158 344 2HG PRO 49 1HG PRO 49 13.085 12.841 2.971 345 1HD PRO 49 2HD PRO 49 12.061 10.153 2.587 346 2HD PRO 49 1HD PRO 49 11.175 11.688 2.575 347 H SER 50 H SER 50 12.262 8.985 0.540 348 HA SER 50 HA SER 50 14.454 7.365 1.150 349 1HB SER 50 2HB SER 50 12.167 6.773 1.751 350 2HB SER 50 1HB SER 50 11.731 6.632 0.049 351 HG SER 50 HG SER 50 12.559 4.700 0.022 352 H LYS 51 H LYS 51 15.697 5.982 -0.015 353 HA LYS 51 HA LYS 51 15.268 5.400 -2.773 354 1HB LYS 51 2HB LYS 51 17.265 7.500 -1.996 355 2HB LYS 51 1HB LYS 51 17.573 6.466 -3.385 356 1HG LYS 51 2HG LYS 51 15.098 7.231 -3.994 357 2HG LYS 51 1HG LYS 51 15.584 8.622 -3.024 358 1HD LYS 51 2HD LYS 51 17.762 8.103 -4.692 359 2HD LYS 51 1HD LYS 51 16.340 7.899 -5.718 360 1HE LYS 51 2HE LYS 51 16.347 10.257 -3.940 361 2HE LYS 51 1HE LYS 51 17.515 10.273 -5.260 362 1HZ LYS 51 1HZ LYS 51 14.797 9.491 -5.943 363 2HZ LYS 51 2HZ LYS 51 15.900 10.437 -6.807 364 3HZ LYS 51 3HZ LYS 51 15.024 11.116 -5.529 365 H LYS 52 H LYS 52 15.464 3.629 -0.857 366 HA LYS 52 HA LYS 52 18.236 2.635 -0.906 367 1HB LYS 52 2HB LYS 52 16.982 1.135 1.019 368 2HB LYS 52 1HB LYS 52 17.967 2.557 1.325 369 1HG LYS 52 2HG LYS 52 15.788 3.884 1.088 370 2HG LYS 52 1HG LYS 52 14.980 2.322 1.250 371 1HD LYS 52 2HD LYS 52 15.383 2.226 3.452 372 2HD LYS 52 1HD LYS 52 17.054 2.758 3.256 373 1HE LYS 52 2HE LYS 52 15.361 4.967 2.694 374 2HE LYS 52 1HE LYS 52 14.810 4.234 4.199 375 1HZ LYS 52 1HZ LYS 52 16.660 4.856 5.277 376 2HZ LYS 52 2HZ LYS 52 16.803 6.002 4.042 377 3HZ LYS 52 3HZ LYS 52 17.680 4.559 3.959 378 HA PRO 53 HA PRO 53 17.312 -1.059 -3.103 379 1HB PRO 53 2HB PRO 53 17.880 -3.086 -1.284 380 2HB PRO 53 1HB PRO 53 19.062 -2.279 -2.317 381 1HG PRO 53 2HG PRO 53 18.383 -1.773 0.547 382 2HG PRO 53 1HG PRO 53 19.966 -1.758 -0.252 383 1HD PRO 53 2HD PRO 53 18.716 0.515 0.370 384 2HD PRO 53 1HD PRO 53 19.635 0.364 -1.141 385 H TYR 54 H TYR 54 16.353 -3.528 -2.347 386 HA TYR 54 HA TYR 54 13.587 -3.143 -2.268 387 1HB TYR 54 2HB TYR 54 14.114 -5.692 -1.126 388 2HB TYR 54 1HB TYR 54 13.699 -5.317 -2.800 389 HD1 TYR 54 1HD TYR 54 16.478 -5.831 -0.447 390 HD2 TYR 54 2HD TYR 54 15.348 -5.318 -4.509 391 HE1 TYR 54 1HE TYR 54 18.750 -6.416 -1.140 392 HE2 TYR 54 2HE TYR 54 17.611 -5.913 -5.226 393 HH TYR 54 HH TYR 54 19.843 -7.392 -3.242 394 H GLU 55 H GLU 55 13.015 -1.720 -0.615 395 HA GLU 55 HA GLU 55 13.387 -2.674 2.136 396 1HB GLU 55 2HB GLU 55 13.088 -0.013 0.886 397 2HB GLU 55 1HB GLU 55 12.256 -0.222 2.421 398 1HG GLU 55 2HG GLU 55 15.121 -1.016 2.150 399 2HG GLU 55 1HG GLU 55 14.683 0.676 2.379 400 H GLU 56 H GLU 56 10.826 -0.762 0.573 401 HA GLU 56 HA GLU 56 8.788 -2.612 0.566 402 1HB GLU 56 2HB GLU 56 9.401 -1.635 3.252 403 2HB GLU 56 1HB GLU 56 7.722 -1.373 2.799 404 1HG GLU 56 2HG GLU 56 7.219 -3.529 2.989 405 2HG GLU 56 1HG GLU 56 8.668 -4.036 2.122 406 H VAL 57 H VAL 57 9.668 0.718 1.282 407 HA VAL 57 HA VAL 57 7.140 1.695 0.217 408 HB VAL 57 HB VAL 57 8.154 3.965 0.731 409 1HG1 VAL 57 1HG1 VAL 57 7.554 1.893 2.809 410 2HG1 VAL 57 2HG1 VAL 57 6.543 3.217 2.231 411 3HG1 VAL 57 3HG1 VAL 57 7.933 3.554 3.262 412 1HG2 VAL 57 1HG2 VAL 57 10.081 2.551 2.507 413 2HG2 VAL 57 2HG2 VAL 57 10.141 4.187 1.851 414 3HG2 VAL 57 3HG2 VAL 57 10.512 2.807 0.818 415 H THR 58 H THR 58 6.859 2.700 -1.683 416 HA THR 58 HA THR 58 9.173 2.832 -3.499 417 HB THR 58 HB THR 58 7.555 2.671 -5.338 418 HG1 THR 58 1HG THR 58 5.365 2.240 -4.818 419 1HG2 THR 58 1HG2 THR 58 6.663 0.406 -4.944 420 2HG2 THR 58 2HG2 THR 58 7.186 0.525 -3.264 421 3HG2 THR 58 3HG2 THR 58 8.377 0.559 -4.564 422 H CYS 59 H CYS 59 6.787 4.648 -1.865 423 HA CYS 59 HA CYS 59 6.405 6.859 -1.665 424 1HB CYS 59 2HB CYS 59 9.010 6.880 -3.109 425 2HB CYS 59 1HB CYS 59 8.101 8.388 -2.995 426 H CYS 60 H CYS 60 4.510 7.229 -2.534 427 HA CYS 60 HA CYS 60 3.959 7.103 -5.335 428 1HB CYS 60 2HB CYS 60 2.492 7.123 -2.931 429 2HB CYS 60 1HB CYS 60 1.958 8.544 -3.819 430 H SER 61 H SER 61 2.225 9.357 -5.616 431 HA SER 61 HA SER 61 3.154 11.840 -5.007 432 1HB SER 61 2HB SER 61 5.135 12.129 -6.009 433 2HB SER 61 1HB SER 61 5.033 10.527 -6.742 434 HG SER 61 HG SER 61 5.187 12.193 -8.309 435 H THR 62 H THR 62 1.897 13.385 -5.832 436 HA THR 62 HA THR 62 -0.111 14.111 -6.689 437 HB THR 62 HB THR 62 1.137 15.213 -8.246 438 HG1 THR 62 1HG THR 62 0.338 14.734 -10.331 439 1HG2 THR 62 1HG2 THR 62 2.356 13.965 -10.130 440 2HG2 THR 62 2HG2 THR 62 2.196 12.551 -9.089 441 3HG2 THR 62 3HG2 THR 62 3.066 13.973 -8.516 442 H ASP 63 H ASP 63 0.366 12.059 -9.503 443 HA ASP 63 HA ASP 63 -2.269 11.204 -9.612 444 1HB ASP 63 2HB ASP 63 -1.488 9.513 -11.218 445 2HB ASP 63 1HB ASP 63 -0.754 11.083 -11.530 446 H LYS 64 H LYS 64 -3.417 9.777 -8.513 447 HA LYS 64 HA LYS 64 -2.474 8.408 -6.282 448 1HB LYS 64 2HB LYS 64 -4.616 7.080 -6.483 449 2HB LYS 64 1HB LYS 64 -4.809 8.831 -6.450 450 1HG LYS 64 2HG LYS 64 -4.597 8.299 -9.134 451 2HG LYS 64 1HG LYS 64 -5.495 6.907 -8.527 452 1HD LYS 64 2HD LYS 64 -7.190 8.302 -7.604 453 2HD LYS 64 1HD LYS 64 -6.231 9.757 -7.887 454 1HE LYS 64 2HE LYS 64 -7.965 9.599 -9.557 455 2HE LYS 64 1HE LYS 64 -6.393 9.351 -10.316 456 1HZ LYS 64 1HZ LYS 64 -6.837 6.913 -10.100 457 2HZ LYS 64 2HZ LYS 64 -7.851 7.726 -11.182 458 3HZ LYS 64 3HZ LYS 64 -8.422 7.296 -9.649 459 H CYS 65 H CYS 65 -0.592 7.302 -6.874 460 HA CYS 65 HA CYS 65 -0.652 5.260 -8.890 461 1HB CYS 65 2HB CYS 65 1.607 4.716 -7.397 462 2HB CYS 65 1HB CYS 65 1.534 5.732 -8.827 463 H ASN 66 H ASN 66 -2.687 4.467 -7.568 464 HA ASN 66 HA ASN 66 -1.947 1.925 -6.553 465 1HB ASN 66 2HB ASN 66 -3.260 2.414 -4.311 466 2HB ASN 66 1HB ASN 66 -1.535 2.738 -4.437 467 1HD2 ASN 66 1HD2 ASN 66 -4.119 3.922 -3.085 468 2HD2 ASN 66 2HD2 ASN 66 -3.847 5.623 -3.224 469 HA PRO 67 HA PRO 67 -6.271 2.723 -8.380 470 1HB PRO 67 2HB PRO 67 -5.332 0.735 -10.355 471 2HB PRO 67 1HB PRO 67 -6.163 2.270 -10.612 472 1HG PRO 67 2HG PRO 67 -3.569 1.972 -11.201 473 2HG PRO 67 1HG PRO 67 -4.207 3.495 -10.553 474 1HD PRO 67 2HD PRO 67 -2.680 1.331 -9.160 475 2HD PRO 67 1HD PRO 67 -2.555 3.093 -8.989 476 H HIS 68 H HIS 68 -4.709 -0.437 -8.912 477 HA HIS 68 HA HIS 68 -6.884 -1.664 -7.355 478 1HB HIS 68 2HB HIS 68 -5.664 -3.719 -8.778 479 2HB HIS 68 1HB HIS 68 -7.185 -2.934 -9.180 480 HD1 HIS 68 1HD HIS 68 -6.973 -0.880 -10.914 481 HD2 HIS 68 2HD HIS 68 -3.684 -3.402 -10.627 482 HE1 HIS 68 1HE HIS 68 -5.599 -0.429 -12.972 483 HE2 HIS 68 2HE HIS 68 -3.651 -2.019 -12.812 484 HA PRO 69 HA PRO 69 -4.007 -3.193 -4.406 485 1HB PRO 69 2HB PRO 69 -5.350 -5.778 -4.228 486 2HB PRO 69 1HB PRO 69 -5.315 -4.457 -3.061 487 1HG PRO 69 2HG PRO 69 -7.545 -5.138 -4.450 488 2HG PRO 69 1HG PRO 69 -7.214 -3.487 -3.900 489 1HD PRO 69 2HD PRO 69 -6.866 -4.685 -6.621 490 2HD PRO 69 1HD PRO 69 -7.471 -3.078 -6.164 491 H LYS 70 H LYS 70 -4.888 -6.271 -5.962 492 HA LYS 70 HA LYS 70 -2.666 -6.603 -7.574 493 1HB LYS 70 2HB LYS 70 -1.549 -8.369 -5.888 494 2HB LYS 70 1HB LYS 70 -1.024 -6.704 -6.032 495 1HG LYS 70 2HG LYS 70 -1.319 -7.627 -3.705 496 2HG LYS 70 1HG LYS 70 -2.069 -6.074 -4.039 497 1HD LYS 70 2HD LYS 70 -4.190 -7.505 -4.535 498 2HD LYS 70 1HD LYS 70 -3.338 -8.764 -3.649 499 1HE LYS 70 2HE LYS 70 -4.964 -6.882 -2.531 500 2HE LYS 70 1HE LYS 70 -3.730 -7.798 -1.674 501 1HZ LYS 70 1HZ LYS 70 -2.176 -5.986 -2.049 502 2HZ LYS 70 2HZ LYS 70 -3.549 -5.432 -1.234 503 3HZ LYS 70 3HZ LYS 70 -3.359 -5.109 -2.882 504 H GLN 71 H GLN 71 -3.058 -9.298 -5.412 505 HA GLN 71 HA GLN 71 -4.066 -10.935 -7.484 506 1HB GLN 71 2HB GLN 71 -2.714 -11.574 -5.365 507 2HB GLN 71 1HB GLN 71 -4.283 -11.640 -4.574 508 1HG GLN 71 2HG GLN 71 -3.519 -13.836 -5.346 509 2HG GLN 71 1HG GLN 71 -5.034 -13.343 -6.101 510 1HE2 GLN 71 1HE2 GLN 71 -5.160 -13.658 -8.196 511 2HE2 GLN 71 2HE2 GLN 71 -3.833 -13.758 -9.298 512 H ARG 72 H ARG 72 -5.985 -10.030 -8.258 513 HA ARG 72 HA ARG 72 -8.342 -10.866 -6.869 514 1HB ARG 72 2HB ARG 72 -9.343 -8.481 -7.011 515 2HB ARG 72 1HB ARG 72 -8.301 -8.882 -5.655 516 1HG ARG 72 2HG ARG 72 -7.503 -6.820 -6.266 517 2HG ARG 72 1HG ARG 72 -6.420 -7.891 -7.151 518 1HD ARG 72 2HD ARG 72 -8.907 -7.062 -8.522 519 2HD ARG 72 1HD ARG 72 -7.677 -5.823 -8.287 520 HE ARG 72 HE ARG 72 -7.528 -8.124 -10.033 521 1HH1 ARG 72 1HH1 ARG 72 -5.737 -5.632 -8.373 522 2HH1 ARG 72 2HH1 ARG 72 -4.409 -5.673 -9.484 523 1HH2 ARG 72 1HH2 ARG 72 -5.784 -8.179 -11.494 524 2HH2 ARG 72 2HH2 ARG 72 -4.435 -7.118 -11.255 525 HA PRO 73 HA PRO 73 -8.331 -10.539 -11.594 526 1HB PRO 73 2HB PRO 73 -8.884 -13.195 -11.991 527 2HB PRO 73 1HB PRO 73 -7.251 -12.520 -11.967 528 1HG PRO 73 2HG PRO 73 -8.753 -13.927 -9.794 529 2HG PRO 73 1HG PRO 73 -7.052 -14.091 -10.268 530 1HD PRO 73 2HD PRO 73 -7.792 -12.641 -8.128 531 2HD PRO 73 1HD PRO 73 -6.424 -12.162 -9.153 532 H GLY 74 H GLY 74 -10.372 -12.043 -9.174 533 1HA GLY 74 2HA GLY 74 -12.723 -10.881 -10.334 534 2HA GLY 74 1HA GLY 74 -12.669 -12.628 -10.544 535 1H TYR 181 1HT TYR 181 -6.158 -16.352 27.930 536 2H TYR 181 2HT TYR 181 -4.930 -17.113 28.856 537 3H TYR 181 3HT TYR 181 -6.251 -18.031 28.259 538 HA TYR 181 HA TYR 181 -4.345 -16.610 26.536 539 1HB TYR 181 2HB TYR 181 -3.468 -19.018 26.206 540 2HB TYR 181 1HB TYR 181 -2.987 -18.159 27.665 541 HD1 TYR 181 1HD TYR 181 -2.977 -19.427 29.581 542 HD2 TYR 181 2HD TYR 181 -5.851 -20.311 26.573 543 HE1 TYR 181 1HE TYR 181 -3.836 -21.276 30.955 544 HE2 TYR 181 2HE TYR 181 -6.720 -22.162 27.940 545 HH TYR 181 HH TYR 181 -5.112 -23.500 30.459 546 H ARG 182 H ARG 182 -4.221 -18.374 24.537 547 HA ARG 182 HA ARG 182 -5.291 -19.273 22.737 548 1HB ARG 182 2HB ARG 182 -6.699 -20.312 24.791 549 2HB ARG 182 1HB ARG 182 -7.962 -19.366 24.017 550 1HG ARG 182 2HG ARG 182 -7.490 -20.528 21.895 551 2HG ARG 182 1HG ARG 182 -6.296 -21.520 22.733 552 1HD ARG 182 2HD ARG 182 -7.928 -22.937 23.247 553 2HD ARG 182 1HD ARG 182 -8.623 -21.685 24.277 554 HE ARG 182 HE ARG 182 -10.311 -21.489 22.766 555 1HH1 ARG 182 1HH1 ARG 182 -7.542 -22.830 21.119 556 2HH1 ARG 182 2HH1 ARG 182 -8.383 -23.048 19.620 557 1HH2 ARG 182 1HH2 ARG 182 -11.418 -21.777 20.797 558 2HH2 ARG 182 2HH2 ARG 182 -10.583 -22.451 19.438 559 H GLY 183 H GLY 183 -5.144 -16.435 23.242 560 1HA GLY 183 2HA GLY 183 -7.617 -15.481 21.953 561 2HA GLY 183 1HA GLY 183 -6.518 -14.478 22.886 562 H TRP 184 H TRP 184 -4.314 -16.082 21.347 563 HA TRP 184 HA TRP 184 -3.646 -14.092 19.524 564 1HB TRP 184 2HB TRP 184 -2.573 -16.595 20.365 565 2HB TRP 184 1HB TRP 184 -2.551 -16.563 18.605 566 HD1 TRP 184 HD TRP 184 -1.086 -14.752 21.651 567 HE1 TRP 184 1HE TRP 184 0.965 -13.399 20.888 568 HE3 TRP 184 3HE TRP 184 -1.502 -15.424 16.600 569 HZ2 TRP 184 2HZ TRP 184 2.238 -12.706 18.466 570 HZ3 TRP 184 3HZ TRP 184 0.173 -14.383 15.130 571 HH2 TRP 184 HH TRP 184 2.004 -13.052 16.045 572 H LYS 185 H LYS 185 -3.574 -14.133 17.194 573 HA LYS 185 HA LYS 185 -5.396 -15.962 15.854 574 1HB LYS 185 2HB LYS 185 -6.782 -14.275 14.896 575 2HB LYS 185 1HB LYS 185 -6.749 -13.991 16.630 576 1HG LYS 185 2HG LYS 185 -4.916 -12.291 16.156 577 2HG LYS 185 1HG LYS 185 -5.382 -12.437 14.460 578 1HD LYS 185 2HD LYS 185 -7.454 -11.896 16.552 579 2HD LYS 185 1HD LYS 185 -6.458 -10.580 15.928 580 1HE LYS 185 2HE LYS 185 -7.696 -10.456 14.086 581 2HE LYS 185 1HE LYS 185 -7.441 -12.168 13.751 582 1HZ LYS 185 1HZ LYS 185 -9.708 -12.049 13.982 583 2HZ LYS 185 2HZ LYS 185 -9.651 -10.871 15.194 584 3HZ LYS 185 3HZ LYS 185 -9.252 -12.474 15.555 585 H HIS 186 H HIS 186 -5.546 -14.670 13.408 586 HA HIS 186 HA HIS 186 -2.774 -14.182 12.602 587 1HB HIS 186 2HB HIS 186 -3.131 -16.572 12.257 588 2HB HIS 186 1HB HIS 186 -4.596 -16.240 11.334 589 HD1 HIS 186 1HD HIS 186 -1.532 -14.181 10.741 590 HD2 HIS 186 2HD HIS 186 -3.510 -17.411 9.032 591 HE1 HIS 186 1HE HIS 186 -0.472 -14.500 8.483 592 HE2 HIS 186 2HE HIS 186 -1.722 -16.425 7.444 593 H TRP 187 H TRP 187 -3.411 -12.011 12.294 594 HA TRP 187 HA TRP 187 -5.586 -11.322 10.569 595 1HB TRP 187 2HB TRP 187 -4.770 -9.030 10.785 596 2HB TRP 187 1HB TRP 187 -4.841 -9.816 12.358 597 HD1 TRP 187 HD TRP 187 -2.391 -8.326 9.862 598 HE1 TRP 187 1HE TRP 187 -0.071 -8.150 10.963 599 HE3 TRP 187 3HE TRP 187 -3.327 -10.946 14.152 600 HZ2 TRP 187 2HZ TRP 187 1.195 -9.009 13.335 601 HZ3 TRP 187 3HZ TRP 187 -1.507 -11.223 15.784 602 HH2 TRP 187 HH TRP 187 0.707 -10.275 15.382 603 H VAL 188 H VAL 188 -5.303 -10.014 8.606 604 HA VAL 188 HA VAL 188 -3.246 -11.190 6.903 605 HB VAL 188 HB VAL 188 -5.196 -9.463 5.591 606 1HG1 VAL 188 1HG1 VAL 188 -4.734 -12.409 5.235 607 2HG1 VAL 188 2HG1 VAL 188 -3.642 -11.185 4.586 608 3HG1 VAL 188 3HG1 VAL 188 -5.322 -11.244 4.049 609 1HG2 VAL 188 1HG2 VAL 188 -7.065 -11.166 5.884 610 2HG2 VAL 188 2HG2 VAL 188 -6.769 -10.070 7.233 611 3HG2 VAL 188 3HG2 VAL 188 -6.179 -11.730 7.301 612 H TYR 189 H TYR 189 -2.205 -9.784 5.270 613 HA TYR 189 HA TYR 189 -1.703 -7.102 6.357 614 1HB TYR 189 2HB TYR 189 0.070 -9.092 4.969 615 2HB TYR 189 1HB TYR 189 0.458 -7.374 4.931 616 HD1 TYR 189 1HD TYR 189 1.944 -6.633 6.515 617 HD2 TYR 189 2HD TYR 189 -0.563 -9.937 7.463 618 HE1 TYR 189 1HE TYR 189 3.035 -6.822 8.709 619 HE2 TYR 189 2HE TYR 189 0.520 -10.135 9.661 620 HH TYR 189 HH TYR 189 2.656 -7.722 10.883 621 H TYR 190 H TYR 190 -3.163 -8.763 3.844 622 HA TYR 190 HA TYR 190 -2.547 -6.921 1.721 623 1HB TYR 190 2HB TYR 190 -4.965 -8.603 1.458 624 2HB TYR 190 1HB TYR 190 -3.628 -8.365 0.336 625 HD1 TYR 190 1HD TYR 190 -1.320 -9.256 1.920 626 HD2 TYR 190 2HD TYR 190 -5.234 -10.900 1.644 627 HE1 TYR 190 1HE TYR 190 -0.428 -11.466 2.523 628 HE2 TYR 190 2HE TYR 190 -4.354 -13.114 2.247 629 HH TYR 190 HH TYR 190 -2.325 -14.344 2.288 630 H THR 191 H THR 191 -3.834 -5.315 0.882 631 HA THR 191 HA THR 191 -5.598 -4.032 2.730 632 HB THR 191 HB THR 191 -4.015 -2.981 0.959 633 HG1 THR 191 1HG THR 191 -5.587 -1.890 2.337 634 1HG2 THR 191 1HG2 THR 191 -6.498 -3.273 -0.714 635 2HG2 THR 191 2HG2 THR 191 -4.947 -4.051 -1.025 636 3HG2 THR 191 3HG2 THR 191 -5.083 -2.295 -1.103 637 H CYS 192 H CYS 192 -5.993 -6.197 0.071 638 HA CYS 192 HA CYS 192 -8.480 -5.777 -0.944 639 1HB CYS 192 2HB CYS 192 -8.460 -7.964 -1.647 640 2HB CYS 192 1HB CYS 192 -6.780 -7.857 -1.134 641 H CYS 193 H CYS 193 -10.301 -7.336 -0.573 642 HA CYS 193 HA CYS 193 -12.237 -7.542 0.687 643 1HB CYS 193 2HB CYS 193 -10.464 -9.217 2.397 644 2HB CYS 193 1HB CYS 193 -11.943 -9.654 1.541 645 HA PRO 194 HA PRO 194 -11.119 -5.048 4.469 646 1HB PRO 194 2HB PRO 194 -11.689 -2.534 3.645 647 2HB PRO 194 1HB PRO 194 -10.109 -3.285 3.408 648 1HG PRO 194 2HG PRO 194 -12.189 -2.664 1.439 649 2HG PRO 194 1HG PRO 194 -10.470 -2.992 1.188 650 1HD PRO 194 2HD PRO 194 -12.713 -4.776 0.845 651 2HD PRO 194 1HD PRO 194 -10.999 -5.076 0.503 652 H ASP 195 H ASP 195 -13.618 -3.457 2.481 653 HA ASP 195 HA ASP 195 -15.862 -4.570 3.688 654 1HB ASP 195 2HB ASP 195 -16.527 -2.601 5.144 655 2HB ASP 195 1HB ASP 195 -15.235 -3.621 5.780 656 H THR 196 H THR 196 -17.549 -4.085 2.437 657 HA THR 196 HA THR 196 -17.647 -1.485 1.063 658 HB THR 196 HB THR 196 -16.582 -3.091 -0.483 659 HG1 THR 196 1HG THR 196 -19.235 -2.397 -1.201 660 1HG2 THR 196 1HG2 THR 196 -18.835 -4.638 -1.238 661 2HG2 THR 196 2HG2 THR 196 -18.518 -4.906 0.476 662 3HG2 THR 196 3HG2 THR 196 -17.243 -5.182 -0.711 663 HA PRO 197 HA PRO 197 -21.865 -3.083 2.482 664 1HB PRO 197 2HB PRO 197 -21.816 -1.280 4.741 665 2HB PRO 197 1HB PRO 197 -21.998 -3.034 4.755 666 1HG PRO 197 2HG PRO 197 -19.805 -1.701 5.729 667 2HG PRO 197 1HG PRO 197 -19.785 -3.381 5.170 668 1HD PRO 197 2HD PRO 197 -18.870 -0.904 3.773 669 2HD PRO 197 1HD PRO 197 -18.174 -2.535 3.762 670 H TYR 198 H TYR 198 -20.202 -0.726 1.262 671 HA TYR 198 HA TYR 198 -21.841 1.586 1.494 672 1HB TYR 198 2HB TYR 198 -19.340 1.510 1.156 673 2HB TYR 198 1HB TYR 198 -19.641 0.937 -0.485 674 HD1 TYR 198 1HD TYR 198 -19.069 3.785 1.494 675 HD2 TYR 198 2HD TYR 198 -21.273 2.475 -1.901 676 HE1 TYR 198 1HE TYR 198 -19.255 6.113 0.724 677 HE2 TYR 198 2HE TYR 198 -21.465 4.799 -2.681 678 HH TYR 198 HH TYR 198 -19.674 7.147 -1.924 Start of MODEL 10 1 1H ILE 1 1HT ILE 1 -5.842 15.195 -8.265 2 2H ILE 1 2HT ILE 1 -5.251 15.675 -9.804 3 3H ILE 1 3HT ILE 1 -5.229 16.780 -8.490 4 HA ILE 1 HA ILE 1 -3.549 14.453 -9.010 5 HB ILE 1 HB ILE 1 -2.886 17.194 -7.933 6 1HG1 ILE 1 2HG1 ILE 1 -3.885 17.362 -10.183 7 2HG1 ILE 1 1HG1 ILE 1 -2.174 17.776 -10.198 8 1HG2 ILE 1 1HG2 ILE 1 -0.686 16.621 -8.074 9 2HG2 ILE 1 2HG2 ILE 1 -0.953 15.474 -9.387 10 3HG2 ILE 1 3HG2 ILE 1 -1.373 15.032 -7.733 11 1HD1 ILE 1 1HD1 ILE 1 -2.410 16.464 -12.078 12 2HD1 ILE 1 2HD1 ILE 1 -3.541 15.359 -11.293 13 3HD1 ILE 1 3HD1 ILE 1 -1.827 15.311 -10.878 14 H VAL 2 H VAL 2 -4.526 13.114 -7.371 15 HA VAL 2 HA VAL 2 -3.193 13.273 -4.887 16 HB VAL 2 HB VAL 2 -5.068 15.021 -4.655 17 1HG1 VAL 2 1HG1 VAL 2 -6.742 13.269 -5.633 18 2HG1 VAL 2 2HG1 VAL 2 -7.257 14.379 -4.365 19 3HG1 VAL 2 3HG1 VAL 2 -6.831 12.716 -3.961 20 1HG2 VAL 2 1HG2 VAL 2 -5.062 14.725 -2.382 21 2HG2 VAL 2 2HG2 VAL 2 -3.691 13.717 -2.846 22 3HG2 VAL 2 3HG2 VAL 2 -5.253 12.975 -2.498 23 H CYS 3 H CYS 3 -4.093 11.546 -3.319 24 HA CYS 3 HA CYS 3 -5.017 9.271 -4.927 25 1HB CYS 3 2HB CYS 3 -3.578 7.873 -3.789 26 2HB CYS 3 1HB CYS 3 -2.641 9.360 -3.852 27 H HIS 4 H HIS 4 -5.499 7.524 -2.748 28 HA HIS 4 HA HIS 4 -7.512 8.836 -1.116 29 1HB HIS 4 2HB HIS 4 -9.068 6.810 -1.773 30 2HB HIS 4 1HB HIS 4 -9.054 8.295 -2.721 31 HD1 HIS 4 1HD HIS 4 -8.842 4.737 -3.071 32 HD2 HIS 4 2HD HIS 4 -7.230 7.996 -5.083 33 HE1 HIS 4 1HE HIS 4 -8.185 3.869 -5.336 34 HE2 HIS 4 2HE HIS 4 -7.122 5.833 -6.498 35 H THR 5 H THR 5 -8.714 6.846 0.119 36 HA THR 5 HA THR 5 -6.504 5.470 1.454 37 HB THR 5 HB THR 5 -7.627 6.421 3.195 38 HG1 THR 5 1HG THR 5 -7.925 4.054 3.276 39 1HG2 THR 5 1HG2 THR 5 -9.874 6.592 1.349 40 2HG2 THR 5 2HG2 THR 5 -9.361 7.692 2.625 41 3HG2 THR 5 3HG2 THR 5 -10.336 6.277 3.019 42 H THR 6 H THR 6 -6.270 3.890 -0.209 43 HA THR 6 HA THR 6 -8.460 2.016 -0.594 44 HB THR 6 HB THR 6 -5.676 2.096 -1.771 45 HG1 THR 6 1HG THR 6 -8.208 2.767 -2.854 46 1HG2 THR 6 1HG2 THR 6 -7.075 0.626 -3.516 47 2HG2 THR 6 2HG2 THR 6 -7.830 0.105 -2.010 48 3HG2 THR 6 3HG2 THR 6 -6.088 -0.066 -2.228 49 H ALA 7 H ALA 7 -6.102 2.444 1.685 50 HA ALA 7 HA ALA 7 -5.298 -0.299 2.027 51 1HB ALA 7 1HB ALA 7 -4.098 1.953 2.730 52 2HB ALA 7 2HB ALA 7 -3.867 0.457 3.635 53 3HB ALA 7 3HB ALA 7 -4.995 1.678 4.224 54 H THR 8 H THR 8 -6.242 -1.824 3.247 55 HA THR 8 HA THR 8 -7.810 -2.885 4.511 56 HB THR 8 HB THR 8 -8.213 -2.039 6.666 57 HG1 THR 8 1HG THR 8 -9.171 -0.114 6.328 58 1HG2 THR 8 1HG2 THR 8 -5.713 -2.145 5.948 59 2HG2 THR 8 2HG2 THR 8 -6.169 -1.437 7.497 60 3HG2 THR 8 3HG2 THR 8 -5.796 -0.392 6.127 61 H SER 9 H SER 9 -8.640 -1.197 2.214 62 HA SER 9 HA SER 9 -11.447 -1.471 2.526 63 1HB SER 9 2HB SER 9 -12.137 0.838 2.424 64 2HB SER 9 1HB SER 9 -11.047 0.657 3.799 65 HG SER 9 HG SER 9 -10.696 2.033 1.415 66 HA PRO 10 HA PRO 10 -11.147 -1.743 -1.860 67 1HB PRO 10 2HB PRO 10 -13.645 -0.914 -2.604 68 2HB PRO 10 1HB PRO 10 -13.299 -2.514 -1.942 69 1HG PRO 10 2HG PRO 10 -14.390 -0.091 -0.572 70 2HG PRO 10 1HG PRO 10 -14.875 -1.787 -0.402 71 1HD PRO 10 2HD PRO 10 -13.300 -0.559 1.411 72 2HD PRO 10 1HD PRO 10 -13.119 -2.280 1.016 73 H ILE 11 H ILE 11 -12.984 1.189 -0.951 74 HA ILE 11 HA ILE 11 -11.089 2.862 -2.357 75 HB ILE 11 HB ILE 11 -12.575 2.145 -4.176 76 1HG1 ILE 11 2HG1 ILE 11 -13.145 5.026 -3.466 77 2HG1 ILE 11 1HG1 ILE 11 -11.578 4.471 -4.050 78 1HG2 ILE 11 1HG2 ILE 11 -14.794 3.505 -2.659 79 2HG2 ILE 11 2HG2 ILE 11 -14.567 1.758 -2.738 80 3HG2 ILE 11 3HG2 ILE 11 -14.912 2.670 -4.207 81 1HD1 ILE 11 1HD1 ILE 11 -13.926 5.156 -5.527 82 2HD1 ILE 11 2HD1 ILE 11 -13.472 3.484 -5.860 83 3HD1 ILE 11 3HD1 ILE 11 -12.306 4.782 -6.111 84 H SER 12 H SER 12 -11.331 5.090 -1.911 85 HA SER 12 HA SER 12 -13.419 6.238 -0.430 86 1HB SER 12 2HB SER 12 -11.157 5.057 1.155 87 2HB SER 12 1HB SER 12 -11.947 6.522 1.728 88 HG SER 12 HG SER 12 -13.891 5.415 1.802 89 H ALA 13 H ALA 13 -11.814 8.095 1.117 90 HA ALA 13 HA ALA 13 -10.126 9.334 -0.941 91 1HB ALA 13 1HB ALA 13 -12.647 10.207 -0.579 92 2HB ALA 13 2HB ALA 13 -11.315 11.244 -1.087 93 3HB ALA 13 3HB ALA 13 -11.800 11.198 0.608 94 H VAL 14 H VAL 14 -8.305 10.271 -0.190 95 HA VAL 14 HA VAL 14 -7.988 10.472 2.731 96 HB VAL 14 HB VAL 14 -5.551 10.111 2.378 97 1HG1 VAL 14 1HG1 VAL 14 -7.623 8.073 1.813 98 2HG1 VAL 14 2HG1 VAL 14 -6.492 8.194 3.157 99 3HG1 VAL 14 3HG1 VAL 14 -5.936 7.617 1.586 100 1HG2 VAL 14 1HG2 VAL 14 -6.403 10.074 -0.426 101 2HG2 VAL 14 2HG2 VAL 14 -5.328 8.758 0.027 102 3HG2 VAL 14 3HG2 VAL 14 -4.827 10.428 0.277 103 H THR 15 H THR 15 -6.682 11.800 -0.317 104 HA THR 15 HA THR 15 -5.504 13.771 -0.637 105 HB THR 15 HB THR 15 -7.261 15.693 -0.208 106 HG1 THR 15 1HG THR 15 -8.501 14.070 1.113 107 1HG2 THR 15 1HG2 THR 15 -7.323 13.509 -2.222 108 2HG2 THR 15 2HG2 THR 15 -6.975 15.226 -2.426 109 3HG2 THR 15 3HG2 THR 15 -8.637 14.685 -2.187 110 H CYS 16 H CYS 16 -3.953 13.528 1.070 111 HA CYS 16 HA CYS 16 -4.028 14.177 3.673 112 1HB CYS 16 2HB CYS 16 -1.966 14.490 1.574 113 2HB CYS 16 1HB CYS 16 -1.680 15.365 3.080 114 HA PRO 17 HA PRO 17 -5.907 18.330 3.321 115 1HB PRO 17 2HB PRO 17 -6.100 18.479 6.124 116 2HB PRO 17 1HB PRO 17 -7.379 18.038 4.993 117 1HG PRO 17 2HG PRO 17 -5.668 16.308 6.673 118 2HG PRO 17 1HG PRO 17 -7.311 16.036 6.080 119 1HD PRO 17 2HD PRO 17 -5.144 14.767 5.065 120 2HD PRO 17 1HD PRO 17 -6.584 15.144 4.100 121 HA PRO 18 HA PRO 18 -2.577 20.145 6.438 122 1HB PRO 18 2HB PRO 18 -0.414 18.423 6.734 123 2HB PRO 18 1HB PRO 18 -1.673 18.705 7.939 124 1HG PRO 18 2HG PRO 18 -1.405 16.490 5.957 125 2HG PRO 18 1HG PRO 18 -1.972 16.433 7.637 126 1HD PRO 18 2HD PRO 18 -3.684 16.335 5.593 127 2HD PRO 18 1HD PRO 18 -4.084 17.219 7.080 128 H GLY 19 H GLY 19 -0.401 17.888 4.794 129 1HA GLY 19 2HA GLY 19 -0.028 19.758 2.589 130 2HA GLY 19 1HA GLY 19 1.346 19.551 3.669 131 H GLU 20 H GLU 20 2.666 18.655 2.096 132 HA GLU 20 HA GLU 20 3.605 17.011 0.836 133 1HB GLU 20 2HB GLU 20 1.768 15.051 2.192 134 2HB GLU 20 1HB GLU 20 3.402 14.789 1.600 135 1HG GLU 20 2HG GLU 20 2.671 16.535 3.940 136 2HG GLU 20 1HG GLU 20 3.266 14.879 4.053 137 H ASN 21 H ASN 21 2.899 14.922 -0.547 138 HA ASN 21 HA ASN 21 0.311 14.814 -1.617 139 1HB ASN 21 2HB ASN 21 0.859 15.845 -3.881 140 2HB ASN 21 1HB ASN 21 0.601 16.976 -2.551 141 1HD2 ASN 21 1HD2 ASN 21 1.940 18.610 -2.668 142 2HD2 ASN 21 2HD2 ASN 21 3.601 18.545 -3.139 143 H LEU 22 H LEU 22 2.307 13.000 -0.831 144 HA LEU 22 HA LEU 22 2.524 11.439 -3.278 145 1HB LEU 22 2HB LEU 22 4.944 11.602 -1.528 146 2HB LEU 22 1HB LEU 22 4.819 11.073 -3.195 147 HG LEU 22 HG LEU 22 4.166 13.612 -3.589 148 1HD1 LEU 22 1HD1 LEU 22 4.518 13.792 -0.946 149 2HD1 LEU 22 2HD1 LEU 22 4.853 15.123 -2.053 150 3HD1 LEU 22 3HD1 LEU 22 6.172 14.104 -1.476 151 1HD2 LEU 22 1HD2 LEU 22 6.212 13.829 -4.544 152 2HD2 LEU 22 2HD2 LEU 22 6.262 12.095 -4.225 153 3HD2 LEU 22 3HD2 LEU 22 7.063 13.217 -3.124 154 H CYS 23 H CYS 23 0.853 10.242 -2.199 155 HA CYS 23 HA CYS 23 1.072 9.104 0.322 156 1HB CYS 23 2HB CYS 23 -0.348 7.767 -1.970 157 2HB CYS 23 1HB CYS 23 -0.762 7.725 -0.259 158 H TYR 24 H TYR 24 2.439 7.633 1.123 159 HA TYR 24 HA TYR 24 3.522 5.604 -0.712 160 1HB TYR 24 2HB TYR 24 5.718 6.037 -0.153 161 2HB TYR 24 1HB TYR 24 5.035 7.657 -0.115 162 HD1 TYR 24 1HD TYR 24 7.314 5.764 1.452 163 HD2 TYR 24 2HD TYR 24 3.842 8.013 2.436 164 HE1 TYR 24 1HE TYR 24 8.148 6.025 3.751 165 HE2 TYR 24 2HE TYR 24 4.665 8.276 4.742 166 HH TYR 24 HH TYR 24 7.225 6.468 6.002 167 H ARG 25 H ARG 25 2.696 6.458 2.574 168 HA ARG 25 HA ARG 25 2.680 5.281 4.508 169 1HB ARG 25 2HB ARG 25 0.554 4.741 3.271 170 2HB ARG 25 1HB ARG 25 1.276 3.186 2.910 171 1HG ARG 25 2HG ARG 25 1.625 3.006 5.452 172 2HG ARG 25 1HG ARG 25 0.431 4.301 5.548 173 1HD ARG 25 2HD ARG 25 -0.393 2.170 3.754 174 2HD ARG 25 1HD ARG 25 -0.088 1.585 5.390 175 HE ARG 25 HE ARG 25 -1.712 3.961 5.262 176 1HH1 ARG 25 1HH1 ARG 25 -1.706 0.471 5.245 177 2HH1 ARG 25 2HH1 ARG 25 -3.346 0.341 5.786 178 1HH2 ARG 25 1HH2 ARG 25 -3.867 3.794 5.974 179 2HH2 ARG 25 2HH2 ARG 25 -4.574 2.228 6.200 180 H LYS 26 H LYS 26 2.376 2.078 3.560 181 HA LYS 26 HA LYS 26 5.185 1.417 3.429 182 1HB LYS 26 2HB LYS 26 4.268 1.724 5.927 183 2HB LYS 26 1HB LYS 26 3.740 0.072 5.648 184 1HG LYS 26 2HG LYS 26 6.416 0.245 4.769 185 2HG LYS 26 1HG LYS 26 6.330 1.039 6.341 186 1HD LYS 26 2HD LYS 26 4.803 -1.412 6.341 187 2HD LYS 26 1HD LYS 26 6.464 -1.709 5.832 188 1HE LYS 26 2HE LYS 26 7.347 -0.857 7.832 189 2HE LYS 26 1HE LYS 26 5.829 -0.069 8.264 190 1HZ LYS 26 1HZ LYS 26 5.729 -2.958 7.957 191 2HZ LYS 26 2HZ LYS 26 4.983 -1.965 9.104 192 3HZ LYS 26 3HZ LYS 26 6.611 -2.388 9.286 193 H MET 27 H MET 27 5.387 -0.321 2.127 194 HA MET 27 HA MET 27 2.989 -1.970 1.674 195 1HB MET 27 2HB MET 27 3.950 -0.817 -0.287 196 2HB MET 27 1HB MET 27 5.466 -1.667 -0.040 197 1HG MET 27 2HG MET 27 3.050 -3.337 -0.294 198 2HG MET 27 1HG MET 27 3.566 -2.473 -1.739 199 1HE MET 27 1HE MET 27 6.466 -3.700 -3.023 200 2HE MET 27 2HE MET 27 4.822 -3.087 -3.205 201 3HE MET 27 3HE MET 27 5.144 -4.814 -3.368 202 H TRP 28 H TRP 28 3.322 -4.305 1.323 203 HA TRP 28 HA TRP 28 5.695 -5.360 2.703 204 1HB TRP 28 2HB TRP 28 3.498 -5.300 4.078 205 2HB TRP 28 1HB TRP 28 2.999 -6.637 3.047 206 HD1 TRP 28 HD TRP 28 4.891 -8.780 3.047 207 HE1 TRP 28 1HE TRP 28 6.070 -9.791 5.099 208 HE3 TRP 28 3HE TRP 28 4.311 -4.893 6.317 209 HZ2 TRP 28 2HZ TRP 28 6.675 -9.041 7.753 210 HZ3 TRP 28 3HZ TRP 28 5.218 -5.120 8.593 211 HH2 TRP 28 HH TRP 28 6.374 -7.152 9.295 212 H CYS 29 H CYS 29 6.511 -7.281 1.963 213 HA CYS 29 HA CYS 29 7.011 -8.911 0.484 214 1HB CYS 29 2HB CYS 29 4.283 -9.213 1.000 215 2HB CYS 29 1HB CYS 29 4.491 -9.424 -0.741 216 H ASP 30 H ASP 30 7.911 -8.914 -1.466 217 HA ASP 30 HA ASP 30 6.754 -7.999 -3.838 218 1HB ASP 30 2HB ASP 30 7.282 -5.825 -2.359 219 2HB ASP 30 1HB ASP 30 8.862 -6.033 -3.106 220 H ALA 31 H ALA 31 8.715 -7.367 -5.458 221 HA ALA 31 HA ALA 31 10.537 -8.123 -6.589 222 1HB ALA 31 1HB ALA 31 11.355 -8.346 -3.764 223 2HB ALA 31 2HB ALA 31 12.143 -7.532 -5.116 224 3HB ALA 31 3HB ALA 31 12.302 -9.279 -4.923 225 H PHE 32 H PHE 32 10.661 -10.600 -4.057 226 HA PHE 32 HA PHE 32 9.906 -12.597 -6.091 227 1HB PHE 32 2HB PHE 32 11.667 -13.321 -3.780 228 2HB PHE 32 1HB PHE 32 11.553 -14.064 -5.371 229 HD1 PHE 32 1HD PHE 32 13.079 -11.429 -3.384 230 HD2 PHE 32 2HD PHE 32 12.708 -13.092 -7.283 231 HE1 PHE 32 1HE PHE 32 15.051 -10.151 -4.111 232 HE2 PHE 32 2HE PHE 32 14.680 -11.817 -8.019 233 HZ PHE 32 HZ PHE 32 15.855 -10.345 -6.431 234 H CYS 33 H CYS 33 7.807 -11.682 -4.869 235 HA CYS 33 HA CYS 33 7.190 -13.686 -2.802 236 1HB CYS 33 2HB CYS 33 7.375 -11.498 -1.735 237 2HB CYS 33 1HB CYS 33 6.245 -10.813 -2.896 238 H SER 34 H SER 34 6.357 -15.023 -4.492 239 HA SER 34 HA SER 34 4.519 -14.385 -6.430 240 1HB SER 34 2HB SER 34 3.718 -16.758 -6.217 241 2HB SER 34 1HB SER 34 5.469 -16.597 -6.342 242 HG SER 34 HG SER 34 4.320 -17.956 -4.563 243 H SER 35 H SER 35 3.905 -15.155 -3.035 244 HA SER 35 HA SER 35 1.059 -14.593 -3.376 245 1HB SER 35 2HB SER 35 2.299 -16.475 -1.873 246 2HB SER 35 1HB SER 35 2.145 -15.187 -0.678 247 HG SER 35 HG SER 35 -0.148 -15.131 -1.444 248 H ARG 36 H ARG 36 0.858 -13.665 -0.550 249 HA ARG 36 HA ARG 36 0.382 -11.533 0.218 250 1HB ARG 36 2HB ARG 36 3.064 -12.516 0.592 251 2HB ARG 36 1HB ARG 36 3.027 -10.768 0.681 252 1HG ARG 36 2HG ARG 36 1.919 -10.751 2.633 253 2HG ARG 36 1HG ARG 36 0.908 -12.124 2.182 254 1HD ARG 36 2HD ARG 36 3.730 -12.172 3.230 255 2HD ARG 36 1HD ARG 36 2.283 -12.818 3.999 256 HE ARG 36 HE ARG 36 3.883 -14.085 1.978 257 1HH1 ARG 36 1HH1 ARG 36 0.711 -13.927 3.424 258 2HH1 ARG 36 2HH1 ARG 36 0.272 -15.530 2.938 259 1HH2 ARG 36 1HH2 ARG 36 3.309 -16.198 1.341 260 2HH2 ARG 36 2HH2 ARG 36 1.748 -16.821 1.760 261 H GLY 37 H GLY 37 2.735 -9.438 -0.059 262 1HA GLY 37 2HA GLY 37 3.194 -7.655 -1.425 263 2HA GLY 37 1HA GLY 37 2.807 -8.698 -2.781 264 H LYS 38 H LYS 38 0.210 -8.528 -0.620 265 HA LYS 38 HA LYS 38 -1.155 -6.652 -2.414 266 1HB LYS 38 2HB LYS 38 -2.962 -7.846 -0.547 267 2HB LYS 38 1HB LYS 38 -2.920 -7.996 -2.290 268 1HG LYS 38 2HG LYS 38 -2.679 -10.171 -1.795 269 2HG LYS 38 1HG LYS 38 -0.980 -9.727 -1.664 270 1HD LYS 38 2HD LYS 38 -0.943 -10.138 0.536 271 2HD LYS 38 1HD LYS 38 -2.452 -9.264 0.802 272 1HE LYS 38 2HE LYS 38 -3.286 -11.291 1.288 273 2HE LYS 38 1HE LYS 38 -3.349 -11.495 -0.461 274 1HZ LYS 38 1HZ LYS 38 -1.205 -12.581 -0.393 275 2HZ LYS 38 2HZ LYS 38 -2.282 -13.373 0.643 276 3HZ LYS 38 3HZ LYS 38 -1.098 -12.348 1.280 277 H VAL 39 H VAL 39 0.465 -6.524 0.425 278 HA VAL 39 HA VAL 39 -1.334 -4.839 1.913 279 HB VAL 39 HB VAL 39 1.630 -5.069 2.389 280 1HG1 VAL 39 1HG1 VAL 39 -0.712 -4.054 3.857 281 2HG1 VAL 39 2HG1 VAL 39 0.980 -3.562 3.937 282 3HG1 VAL 39 3HG1 VAL 39 0.437 -4.993 4.811 283 1HG2 VAL 39 1HG2 VAL 39 0.608 -6.881 4.104 284 2HG2 VAL 39 2HG2 VAL 39 1.264 -7.299 2.521 285 3HG2 VAL 39 3HG2 VAL 39 -0.475 -7.107 2.731 286 H VAL 40 H VAL 40 -1.822 -3.206 0.424 287 HA VAL 40 HA VAL 40 -0.115 -1.708 -1.103 288 HB VAL 40 HB VAL 40 -1.787 0.130 -0.960 289 1HG1 VAL 40 1HG1 VAL 40 -2.174 -1.549 -2.595 290 2HG1 VAL 40 2HG1 VAL 40 -3.719 -1.255 -1.797 291 3HG1 VAL 40 3HG1 VAL 40 -2.770 -2.685 -1.385 292 1HG2 VAL 40 1HG2 VAL 40 -3.075 -1.678 1.084 293 2HG2 VAL 40 2HG2 VAL 40 -3.839 -0.265 0.356 294 3HG2 VAL 40 3HG2 VAL 40 -2.410 -0.070 1.371 295 H GLU 41 H GLU 41 0.048 0.838 -0.692 296 HA GLU 41 HA GLU 41 0.914 1.468 1.986 297 1HB GLU 41 2HB GLU 41 3.236 1.828 1.455 298 2HB GLU 41 1HB GLU 41 2.797 0.186 1.026 299 1HG GLU 41 2HG GLU 41 2.946 0.578 -1.237 300 2HG GLU 41 1HG GLU 41 2.741 2.315 -1.060 301 H LEU 42 H LEU 42 -0.383 3.306 2.013 302 HA LEU 42 HA LEU 42 0.714 5.551 0.634 303 1HB LEU 42 2HB LEU 42 -1.778 6.069 -0.216 304 2HB LEU 42 1HB LEU 42 -0.573 5.268 -1.206 305 HG LEU 42 HG LEU 42 -1.748 3.158 0.114 306 1HD1 LEU 42 1HD1 LEU 42 -3.528 4.337 1.078 307 2HD1 LEU 42 2HD1 LEU 42 -4.208 3.570 -0.356 308 3HD1 LEU 42 3HD1 LEU 42 -3.802 5.286 -0.382 309 1HD2 LEU 42 1HD2 LEU 42 -1.459 2.692 -2.065 310 2HD2 LEU 42 2HD2 LEU 42 -1.831 4.338 -2.576 311 3HD2 LEU 42 3HD2 LEU 42 -3.138 3.213 -2.201 312 H GLY 43 H GLY 43 0.875 6.967 2.092 313 1HA GLY 43 2HA GLY 43 -1.401 8.013 3.501 314 2HA GLY 43 1HA GLY 43 -0.260 7.173 4.550 315 H CYS 44 H CYS 44 0.824 8.819 1.695 316 HA CYS 44 HA CYS 44 2.116 10.648 1.343 317 1HB CYS 44 2HB CYS 44 0.873 11.596 3.935 318 2HB CYS 44 1HB CYS 44 1.842 12.603 2.860 319 H ALA 45 H ALA 45 4.192 11.256 1.673 320 HA ALA 45 HA ALA 45 5.510 10.176 4.078 321 1HB ALA 45 1HB ALA 45 6.858 9.021 2.743 322 2HB ALA 45 2HB ALA 45 7.416 10.521 2.009 323 3HB ALA 45 3HB ALA 45 6.032 9.668 1.327 324 H ALA 46 H ALA 46 6.811 12.281 1.548 325 HA ALA 46 HA ALA 46 6.576 14.765 2.675 326 1HB ALA 46 1HB ALA 46 9.062 14.794 3.653 327 2HB ALA 46 2HB ALA 46 8.631 13.128 4.037 328 3HB ALA 46 3HB ALA 46 7.648 14.457 4.651 329 H THR 47 H THR 47 8.882 12.540 1.214 330 HA THR 47 HA THR 47 9.189 14.250 -1.063 331 HB THR 47 HB THR 47 11.312 14.104 1.031 332 HG1 THR 47 1HG THR 47 10.558 16.169 -0.752 333 1HG2 THR 47 1HG2 THR 47 12.984 14.935 -0.580 334 2HG2 THR 47 2HG2 THR 47 11.880 14.526 -1.894 335 3HG2 THR 47 3HG2 THR 47 12.528 13.254 -0.860 336 H CYS 48 H CYS 48 9.353 11.239 0.418 337 HA CYS 48 HA CYS 48 9.734 9.136 -0.363 338 1HB CYS 48 2HB CYS 48 10.214 10.092 -3.148 339 2HB CYS 48 1HB CYS 48 9.288 8.709 -2.580 340 HA PRO 49 HA PRO 49 14.306 10.054 -0.747 341 1HB PRO 49 2HB PRO 49 14.706 9.395 2.018 342 2HB PRO 49 1HB PRO 49 14.942 10.954 1.230 343 1HG PRO 49 2HG PRO 49 12.991 10.429 3.106 344 2HG PRO 49 1HG PRO 49 12.916 11.737 1.912 345 1HD PRO 49 2HD PRO 49 11.605 9.049 1.869 346 2HD PRO 49 1HD PRO 49 10.973 10.622 1.344 347 H SER 50 H SER 50 12.227 7.577 0.016 348 HA SER 50 HA SER 50 13.769 5.465 0.890 349 1HB SER 50 2HB SER 50 11.315 5.411 0.671 350 2HB SER 50 1HB SER 50 11.475 5.391 -1.085 351 HG SER 50 HG SER 50 11.229 3.287 -0.407 352 H LYS 51 H LYS 51 14.971 3.864 -0.094 353 HA LYS 51 HA LYS 51 15.296 3.454 -2.831 354 1HB LYS 51 2HB LYS 51 17.647 4.416 -3.047 355 2HB LYS 51 1HB LYS 51 16.316 5.562 -3.100 356 1HG LYS 51 2HG LYS 51 16.713 6.132 -0.757 357 2HG LYS 51 1HG LYS 51 18.052 4.985 -0.708 358 1HD LYS 51 2HD LYS 51 19.445 6.375 -1.806 359 2HD LYS 51 1HD LYS 51 18.178 6.945 -2.895 360 1HE LYS 51 2HE LYS 51 17.275 8.285 -0.968 361 2HE LYS 51 1HE LYS 51 18.731 7.850 -0.075 362 1HZ LYS 51 1HZ LYS 51 19.504 9.739 -0.979 363 2HZ LYS 51 2HZ LYS 51 18.387 9.736 -2.248 364 3HZ LYS 51 3HZ LYS 51 19.778 8.779 -2.345 365 H LYS 52 H LYS 52 15.074 1.414 -1.627 366 HA LYS 52 HA LYS 52 17.692 0.252 -1.152 367 1HB LYS 52 2HB LYS 52 16.639 -0.881 0.965 368 2HB LYS 52 1HB LYS 52 17.367 0.714 1.087 369 1HG LYS 52 2HG LYS 52 15.024 1.637 0.726 370 2HG LYS 52 1HG LYS 52 14.456 -0.008 1.021 371 1HD LYS 52 2HD LYS 52 14.839 0.133 3.229 372 2HD LYS 52 1HD LYS 52 16.380 0.963 3.003 373 1HE LYS 52 2HE LYS 52 15.071 2.557 4.073 374 2HE LYS 52 1HE LYS 52 14.940 3.003 2.373 375 1HZ LYS 52 1HZ LYS 52 12.915 1.986 4.183 376 2HZ LYS 52 2HZ LYS 52 12.876 1.336 2.622 377 3HZ LYS 52 3HZ LYS 52 12.757 3.009 2.843 378 HA PRO 53 HA PRO 53 16.205 -3.419 -3.057 379 1HB PRO 53 2HB PRO 53 16.601 -5.316 -1.025 380 2HB PRO 53 1HB PRO 53 17.770 -4.854 -2.265 381 1HG PRO 53 2HG PRO 53 17.534 -3.930 0.558 382 2HG PRO 53 1HG PRO 53 18.988 -4.208 -0.418 383 1HD PRO 53 2HD PRO 53 18.116 -1.733 0.077 384 2HD PRO 53 1HD PRO 53 18.799 -2.161 -1.505 385 H TYR 54 H TYR 54 15.426 -4.182 0.328 386 HA TYR 54 HA TYR 54 12.915 -5.290 -0.205 387 1HB TYR 54 2HB TYR 54 12.901 -4.038 2.396 388 2HB TYR 54 1HB TYR 54 13.015 -5.751 1.989 389 HD1 TYR 54 1HD TYR 54 14.864 -2.747 2.882 390 HD2 TYR 54 2HD TYR 54 15.188 -6.820 1.718 391 HE1 TYR 54 1HE TYR 54 17.229 -2.727 3.507 392 HE2 TYR 54 2HE TYR 54 17.552 -6.825 2.351 393 HH TYR 54 HH TYR 54 19.094 -5.609 3.751 394 H GLU 55 H GLU 55 13.850 -1.963 0.113 395 HA GLU 55 HA GLU 55 12.726 -0.007 -0.131 396 1HB GLU 55 2HB GLU 55 11.286 -1.944 -1.801 397 2HB GLU 55 1HB GLU 55 10.323 -0.548 -1.336 398 1HG GLU 55 2HG GLU 55 11.408 0.798 -2.732 399 2HG GLU 55 1HG GLU 55 12.984 0.187 -2.232 400 H GLU 56 H GLU 56 9.714 -1.844 0.067 401 HA GLU 56 HA GLU 56 8.104 -1.979 1.671 402 1HB GLU 56 2HB GLU 56 10.152 -2.363 3.175 403 2HB GLU 56 1HB GLU 56 9.981 -0.673 3.628 404 1HG GLU 56 2HG GLU 56 7.559 -1.287 4.211 405 2HG GLU 56 1HG GLU 56 8.125 -2.957 4.156 406 H VAL 57 H VAL 57 9.202 0.687 0.270 407 HA VAL 57 HA VAL 57 6.917 2.243 0.901 408 HB VAL 57 HB VAL 57 8.708 4.211 1.572 409 1HG1 VAL 57 1HG1 VAL 57 7.736 4.075 3.813 410 2HG1 VAL 57 2HG1 VAL 57 7.109 2.472 3.443 411 3HG1 VAL 57 3HG1 VAL 57 6.517 3.876 2.557 412 1HG2 VAL 57 1HG2 VAL 57 9.498 1.813 3.214 413 2HG2 VAL 57 2HG2 VAL 57 10.168 3.442 3.287 414 3HG2 VAL 57 3HG2 VAL 57 10.456 2.434 1.869 415 H THR 58 H THR 58 6.611 3.929 -0.550 416 HA THR 58 HA THR 58 8.762 4.596 -2.387 417 HB THR 58 HB THR 58 7.965 2.905 -3.731 418 HG1 THR 58 1HG THR 58 6.825 3.861 -5.369 419 1HG2 THR 58 1HG2 THR 58 6.205 1.906 -2.643 420 2HG2 THR 58 2HG2 THR 58 5.419 2.590 -4.067 421 3HG2 THR 58 3HG2 THR 58 5.293 3.409 -2.509 422 H CYS 59 H CYS 59 5.458 5.195 -3.322 423 HA CYS 59 HA CYS 59 4.728 7.434 -1.965 424 1HB CYS 59 2HB CYS 59 7.017 7.983 -3.693 425 2HB CYS 59 1HB CYS 59 5.637 9.017 -4.063 426 H CYS 60 H CYS 60 3.337 8.982 -3.366 427 HA CYS 60 HA CYS 60 2.119 7.433 -5.551 428 1HB CYS 60 2HB CYS 60 0.823 7.424 -3.362 429 2HB CYS 60 1HB CYS 60 0.534 9.136 -3.623 430 H SER 61 H SER 61 1.125 10.611 -4.346 431 HA SER 61 HA SER 61 0.904 12.610 -5.409 432 1HB SER 61 2HB SER 61 2.894 13.539 -6.256 433 2HB SER 61 1HB SER 61 3.455 12.307 -5.121 434 HG SER 61 HG SER 61 4.144 12.516 -7.602 435 H THR 62 H THR 62 1.851 13.404 -7.993 436 HA THR 62 HA THR 62 0.947 13.623 -10.063 437 HB THR 62 HB THR 62 2.366 12.102 -10.959 438 HG1 THR 62 1HG THR 62 0.636 11.696 -12.223 439 1HG2 THR 62 1HG2 THR 62 2.670 10.824 -8.857 440 2HG2 THR 62 2HG2 THR 62 2.714 9.838 -10.318 441 3HG2 THR 62 3HG2 THR 62 1.274 9.844 -9.303 442 H ASP 63 H ASP 63 -0.471 10.406 -9.792 443 HA ASP 63 HA ASP 63 -3.129 11.662 -9.662 444 1HB ASP 63 2HB ASP 63 -3.955 9.963 -11.244 445 2HB ASP 63 1HB ASP 63 -2.694 10.962 -11.961 446 H LYS 64 H LYS 64 -4.805 9.689 -9.397 447 HA LYS 64 HA LYS 64 -4.344 8.695 -6.783 448 1HB LYS 64 2HB LYS 64 -6.497 7.538 -7.067 449 2HB LYS 64 1HB LYS 64 -6.589 9.226 -7.557 450 1HG LYS 64 2HG LYS 64 -6.130 8.297 -9.935 451 2HG LYS 64 1HG LYS 64 -6.657 6.762 -9.242 452 1HD LYS 64 2HD LYS 64 -8.578 7.771 -10.202 453 2HD LYS 64 1HD LYS 64 -8.729 7.957 -8.454 454 1HE LYS 64 2HE LYS 64 -9.196 10.095 -9.003 455 2HE LYS 64 1HE LYS 64 -7.440 10.237 -9.047 456 1HZ LYS 64 1HZ LYS 64 -7.499 9.859 -11.428 457 2HZ LYS 64 2HZ LYS 64 -8.464 11.185 -11.020 458 3HZ LYS 64 3HZ LYS 64 -9.183 9.700 -11.391 459 H CYS 65 H CYS 65 -2.271 7.620 -7.315 460 HA CYS 65 HA CYS 65 -2.016 5.375 -8.941 461 1HB CYS 65 2HB CYS 65 -0.025 4.873 -7.715 462 2HB CYS 65 1HB CYS 65 -0.157 6.626 -7.795 463 H ASN 66 H ASN 66 -3.341 5.730 -5.747 464 HA ASN 66 HA ASN 66 -3.291 3.437 -4.479 465 1HB ASN 66 2HB ASN 66 -5.473 5.362 -4.941 466 2HB ASN 66 1HB ASN 66 -5.969 3.803 -4.292 467 1HD2 ASN 66 1HD2 ASN 66 -3.207 5.973 -3.795 468 2HD2 ASN 66 2HD2 ASN 66 -3.343 6.027 -2.074 469 HA PRO 67 HA PRO 67 -4.837 0.605 -7.693 470 1HB PRO 67 2HB PRO 67 -2.965 -1.269 -7.454 471 2HB PRO 67 1HB PRO 67 -2.604 0.268 -8.251 472 1HG PRO 67 2HG PRO 67 -1.869 -0.670 -5.519 473 2HG PRO 67 1HG PRO 67 -0.946 0.334 -6.649 474 1HD PRO 67 2HD PRO 67 -2.489 1.248 -4.481 475 2HD PRO 67 1HD PRO 67 -1.831 2.241 -5.794 476 H HIS 68 H HIS 68 -4.889 -2.005 -7.434 477 HA HIS 68 HA HIS 68 -6.213 -2.501 -4.849 478 1HB HIS 68 2HB HIS 68 -6.661 -3.959 -7.462 479 2HB HIS 68 1HB HIS 68 -7.599 -4.129 -5.984 480 HD1 HIS 68 1HD HIS 68 -7.803 -2.577 -9.150 481 HD2 HIS 68 2HD HIS 68 -8.778 -1.400 -5.286 482 HE1 HIS 68 1HE HIS 68 -9.436 -0.683 -9.416 483 HE2 HIS 68 2HE HIS 68 -10.088 -0.054 -7.064 484 HA PRO 69 HA PRO 69 -3.555 -5.776 -3.577 485 1HB PRO 69 2HB PRO 69 -5.783 -7.717 -4.050 486 2HB PRO 69 1HB PRO 69 -4.752 -7.517 -2.628 487 1HG PRO 69 2HG PRO 69 -7.233 -6.587 -2.599 488 2HG PRO 69 1HG PRO 69 -5.914 -5.637 -1.887 489 1HD PRO 69 2HD PRO 69 -7.337 -5.258 -4.487 490 2HD PRO 69 1HD PRO 69 -6.712 -4.040 -3.360 491 H LYS 70 H LYS 70 -1.989 -6.825 -4.644 492 HA LYS 70 HA LYS 70 -1.818 -7.081 -7.353 493 1HB LYS 70 2HB LYS 70 -0.040 -8.791 -6.929 494 2HB LYS 70 1HB LYS 70 0.138 -7.304 -6.004 495 1HG LYS 70 2HG LYS 70 0.243 -8.496 -4.148 496 2HG LYS 70 1HG LYS 70 -1.400 -9.066 -4.431 497 1HD LYS 70 2HD LYS 70 -0.120 -11.023 -4.248 498 2HD LYS 70 1HD LYS 70 -0.336 -10.797 -5.986 499 1HE LYS 70 2HE LYS 70 1.887 -9.529 -5.894 500 2HE LYS 70 1HE LYS 70 2.092 -10.272 -4.308 501 1HZ LYS 70 1HZ LYS 70 1.914 -11.605 -6.944 502 2HZ LYS 70 2HZ LYS 70 1.681 -12.454 -5.500 503 3HZ LYS 70 3HZ LYS 70 3.162 -11.695 -5.804 504 H GLN 71 H GLN 71 -3.052 -9.493 -5.082 505 HA GLN 71 HA GLN 71 -3.385 -11.578 -6.955 506 1HB GLN 71 2HB GLN 71 -4.159 -11.034 -4.184 507 2HB GLN 71 1HB GLN 71 -5.331 -12.018 -5.049 508 1HG GLN 71 2HG GLN 71 -3.089 -13.287 -5.765 509 2HG GLN 71 1HG GLN 71 -2.579 -12.649 -4.202 510 1HE2 GLN 71 1HE2 GLN 71 -4.730 -12.809 -2.655 511 2HE2 GLN 71 2HE2 GLN 71 -5.276 -14.441 -2.499 512 H ARG 72 H ARG 72 -4.245 -10.193 -8.715 513 HA ARG 72 HA ARG 72 -6.787 -9.009 -8.624 514 1HB ARG 72 2HB ARG 72 -6.703 -9.222 -11.131 515 2HB ARG 72 1HB ARG 72 -5.317 -8.421 -10.405 516 1HG ARG 72 2HG ARG 72 -4.548 -11.065 -10.480 517 2HG ARG 72 1HG ARG 72 -5.452 -10.856 -11.982 518 1HD ARG 72 2HD ARG 72 -3.504 -10.081 -12.788 519 2HD ARG 72 1HD ARG 72 -3.947 -8.594 -11.949 520 HE ARG 72 HE ARG 72 -2.269 -8.984 -10.437 521 1HH1 ARG 72 1HH1 ARG 72 -2.843 -11.896 -12.271 522 2HH1 ARG 72 2HH1 ARG 72 -1.459 -12.718 -11.635 523 1HH2 ARG 72 1HH2 ARG 72 -0.448 -10.064 -9.598 524 2HH2 ARG 72 2HH2 ARG 72 -0.099 -11.679 -10.117 525 HA PRO 73 HA PRO 73 -9.554 -12.448 -8.707 526 1HB PRO 73 2HB PRO 73 -11.673 -11.345 -10.003 527 2HB PRO 73 1HB PRO 73 -11.257 -10.953 -8.331 528 1HG PRO 73 2HG PRO 73 -10.655 -9.435 -10.841 529 2HG PRO 73 1HG PRO 73 -11.214 -8.826 -9.271 530 1HD PRO 73 2HD PRO 73 -8.626 -8.686 -10.043 531 2HD PRO 73 1HD PRO 73 -9.103 -8.903 -8.347 532 H GLY 74 H GLY 74 -8.690 -10.813 -11.679 533 1HA GLY 74 2HA GLY 74 -9.206 -13.335 -13.130 534 2HA GLY 74 1HA GLY 74 -9.592 -11.768 -13.837 535 1H TYR 181 1HT TYR 181 -3.287 -15.887 24.630 536 2H TYR 181 2HT TYR 181 -4.284 -16.288 25.967 537 3H TYR 181 3HT TYR 181 -4.699 -14.969 24.950 538 HA TYR 181 HA TYR 181 -4.484 -17.733 23.987 539 1HB TYR 181 2HB TYR 181 -6.627 -16.340 25.500 540 2HB TYR 181 1HB TYR 181 -7.139 -17.298 24.114 541 HD1 TYR 181 1HD TYR 181 -5.653 -19.663 24.081 542 HD2 TYR 181 2HD TYR 181 -6.905 -17.453 27.494 543 HE1 TYR 181 1HE TYR 181 -5.530 -21.707 25.442 544 HE2 TYR 181 2HE TYR 181 -6.783 -19.491 28.865 545 HH TYR 181 HH TYR 181 -5.167 -22.160 28.052 546 H ARG 182 H ARG 182 -3.461 -15.503 22.669 547 HA ARG 182 HA ARG 182 -5.241 -14.146 21.001 548 1HB ARG 182 2HB ARG 182 -3.366 -13.493 19.726 549 2HB ARG 182 1HB ARG 182 -2.766 -13.681 21.365 550 1HG ARG 182 2HG ARG 182 -2.486 -15.742 19.187 551 2HG ARG 182 1HG ARG 182 -1.239 -14.583 19.654 552 1HD ARG 182 2HD ARG 182 -2.456 -16.694 21.434 553 2HD ARG 182 1HD ARG 182 -0.861 -16.765 20.686 554 HE ARG 182 HE ARG 182 -1.184 -14.423 22.278 555 1HH1 ARG 182 1HH1 ARG 182 -0.523 -17.846 22.448 556 2HH1 ARG 182 2HH1 ARG 182 0.353 -17.729 23.936 557 1HH2 ARG 182 1HH2 ARG 182 -0.030 -14.269 24.237 558 2HH2 ARG 182 2HH2 ARG 182 0.633 -15.700 24.952 559 H GLY 183 H GLY 183 -4.454 -14.589 18.389 560 1HA GLY 183 2HA GLY 183 -4.414 -17.140 17.381 561 2HA GLY 183 1HA GLY 183 -6.111 -16.826 17.710 562 H TRP 184 H TRP 184 -3.334 -15.170 16.204 563 HA TRP 184 HA TRP 184 -5.042 -14.600 13.888 564 1HB TRP 184 2HB TRP 184 -3.171 -12.521 15.012 565 2HB TRP 184 1HB TRP 184 -4.424 -12.313 13.794 566 HD1 TRP 184 HD TRP 184 -3.908 -12.490 17.560 567 HE1 TRP 184 1HE TRP 184 -6.072 -11.742 18.735 568 HE3 TRP 184 3HE TRP 184 -6.997 -12.246 13.495 569 HZ2 TRP 184 2HZ TRP 184 -8.735 -11.129 18.032 570 HZ3 TRP 184 3HZ TRP 184 -9.339 -11.570 13.831 571 HH2 TRP 184 HH TRP 184 -10.189 -11.024 16.054 572 H LYS 185 H LYS 185 -1.723 -14.366 15.157 573 HA LYS 185 HA LYS 185 0.295 -14.881 14.248 574 1HB LYS 185 2HB LYS 185 -0.632 -17.084 13.850 575 2HB LYS 185 1HB LYS 185 -1.415 -16.530 12.377 576 1HG LYS 185 2HG LYS 185 0.516 -17.774 11.763 577 2HG LYS 185 1HG LYS 185 0.845 -16.072 11.432 578 1HD LYS 185 2HD LYS 185 1.843 -16.127 13.862 579 2HD LYS 185 1HD LYS 185 1.977 -17.856 13.538 580 1HE LYS 185 2HE LYS 185 3.171 -15.610 11.918 581 2HE LYS 185 1HE LYS 185 4.041 -16.756 12.938 582 1HZ LYS 185 1HZ LYS 185 2.563 -17.363 10.437 583 2HZ LYS 185 2HZ LYS 185 3.218 -18.541 11.458 584 3HZ LYS 185 3HZ LYS 185 4.237 -17.441 10.675 585 H HIS 186 H HIS 186 -1.560 -14.963 11.222 586 HA HIS 186 HA HIS 186 -0.250 -12.462 10.412 587 1HB HIS 186 2HB HIS 186 0.344 -15.038 9.391 588 2HB HIS 186 1HB HIS 186 -0.549 -14.187 8.132 589 HD1 HIS 186 1HD HIS 186 0.771 -11.353 9.146 590 HD2 HIS 186 2HD HIS 186 2.702 -14.800 7.860 591 HE1 HIS 186 1HE HIS 186 3.037 -10.599 8.363 592 HE2 HIS 186 2HE HIS 186 4.155 -12.689 7.506 593 H TRP 187 H TRP 187 -2.474 -11.779 11.128 594 HA TRP 187 HA TRP 187 -4.796 -12.496 9.730 595 1HB TRP 187 2HB TRP 187 -4.281 -10.914 11.874 596 2HB TRP 187 1HB TRP 187 -4.617 -9.693 10.652 597 HD1 TRP 187 HD TRP 187 -6.466 -13.058 10.741 598 HE1 TRP 187 1HE TRP 187 -8.954 -12.607 11.229 599 HE3 TRP 187 3HE TRP 187 -6.212 -8.041 11.691 600 HZ2 TRP 187 2HZ TRP 187 -10.589 -10.414 11.923 601 HZ3 TRP 187 3HZ TRP 187 -8.283 -6.841 12.258 602 HH2 TRP 187 HH TRP 187 -10.426 -8.005 12.371 603 H VAL 188 H VAL 188 -5.965 -10.246 8.712 604 HA VAL 188 HA VAL 188 -4.688 -10.065 6.152 605 HB VAL 188 HB VAL 188 -7.020 -8.347 6.845 606 1HG1 VAL 188 1HG1 VAL 188 -6.911 -10.110 4.477 607 2HG1 VAL 188 2HG1 VAL 188 -5.718 -8.814 4.560 608 3HG1 VAL 188 3HG1 VAL 188 -7.439 -8.433 4.624 609 1HG2 VAL 188 1HG2 VAL 188 -8.442 -10.439 6.301 610 2HG2 VAL 188 2HG2 VAL 188 -7.811 -10.242 7.936 611 3HG2 VAL 188 3HG2 VAL 188 -7.016 -11.344 6.811 612 H TYR 189 H TYR 189 -3.347 -8.571 5.497 613 HA TYR 189 HA TYR 189 -3.140 -6.050 6.971 614 1HB TYR 189 2HB TYR 189 -0.748 -6.234 5.802 615 2HB TYR 189 1HB TYR 189 -1.094 -6.957 7.371 616 HD1 TYR 189 1HD TYR 189 0.025 -8.955 7.596 617 HD2 TYR 189 2HD TYR 189 -1.758 -8.028 3.846 618 HE1 TYR 189 1HE TYR 189 0.697 -11.159 6.737 619 HE2 TYR 189 2HE TYR 189 -1.090 -10.228 2.978 620 HH TYR 189 HH TYR 189 -0.567 -12.584 4.143 621 H TYR 190 H TYR 190 -3.851 -7.479 3.971 622 HA TYR 190 HA TYR 190 -3.051 -5.183 2.389 623 1HB TYR 190 2HB TYR 190 -3.935 -6.489 0.484 624 2HB TYR 190 1HB TYR 190 -2.727 -7.376 1.416 625 HD1 TYR 190 1HD TYR 190 -3.413 -9.263 2.846 626 HD2 TYR 190 2HD TYR 190 -6.209 -7.233 0.366 627 HE1 TYR 190 1HE TYR 190 -4.987 -11.136 3.098 628 HE2 TYR 190 2HE TYR 190 -7.791 -9.099 0.611 629 HH TYR 190 HH TYR 190 -8.258 -10.933 2.109 630 H THR 191 H THR 191 -4.840 -4.703 0.571 631 HA THR 191 HA THR 191 -6.949 -3.383 2.018 632 HB THR 191 HB THR 191 -7.465 -2.284 -0.001 633 HG1 THR 191 1HG THR 191 -7.717 -3.816 -1.492 634 1HG2 THR 191 1HG2 THR 191 -5.478 -1.357 -0.741 635 2HG2 THR 191 2HG2 THR 191 -4.580 -2.859 -0.522 636 3HG2 THR 191 3HG2 THR 191 -5.082 -1.918 0.884 637 H CYS 192 H CYS 192 -7.537 -5.774 2.688 638 HA CYS 192 HA CYS 192 -8.900 -7.568 1.135 639 1HB CYS 192 2HB CYS 192 -8.875 -8.419 3.229 640 2HB CYS 192 1HB CYS 192 -8.907 -6.834 3.975 641 H CYS 193 H CYS 193 -11.247 -8.038 1.428 642 HA CYS 193 HA CYS 193 -13.365 -7.554 0.705 643 1HB CYS 193 2HB CYS 193 -13.850 -5.228 2.208 644 2HB CYS 193 1HB CYS 193 -14.129 -6.892 2.705 645 HA PRO 194 HA PRO 194 -12.346 -4.196 -2.284 646 1HB PRO 194 2HB PRO 194 -12.699 -5.577 -4.541 647 2HB PRO 194 1HB PRO 194 -11.222 -5.757 -3.585 648 1HG PRO 194 2HG PRO 194 -13.618 -7.541 -3.728 649 2HG PRO 194 1HG PRO 194 -11.901 -7.975 -3.669 650 1HD PRO 194 2HD PRO 194 -13.607 -7.987 -1.491 651 2HD PRO 194 1HD PRO 194 -11.840 -7.868 -1.391 652 H ASP 195 H ASP 195 -14.738 -4.171 -0.931 653 HA ASP 195 HA ASP 195 -16.502 -3.054 -2.794 654 1HB ASP 195 2HB ASP 195 -18.352 -4.733 -2.676 655 2HB ASP 195 1HB ASP 195 -16.941 -5.289 -3.578 656 H THR 196 H THR 196 -17.195 -1.467 -1.528 657 HA THR 196 HA THR 196 -18.737 -2.098 0.856 658 HB THR 196 HB THR 196 -16.283 -1.856 1.551 659 HG1 THR 196 1HG THR 196 -18.091 -0.005 2.701 660 1HG2 THR 196 1HG2 THR 196 -16.227 0.385 0.051 661 2HG2 THR 196 2HG2 THR 196 -15.145 0.063 1.405 662 3HG2 THR 196 3HG2 THR 196 -16.581 1.058 1.643 663 HA PRO 197 HA PRO 197 -19.913 1.856 -1.491 664 1HB PRO 197 2HB PRO 197 -21.866 0.920 -3.099 665 2HB PRO 197 1HB PRO 197 -20.178 0.947 -3.622 666 1HG PRO 197 2HG PRO 197 -21.795 -1.337 -2.559 667 2HG PRO 197 1HG PRO 197 -20.657 -1.310 -3.919 668 1HD PRO 197 2HD PRO 197 -20.010 -2.248 -1.438 669 2HD PRO 197 1HD PRO 197 -18.827 -1.533 -2.552 670 H TYR 198 H TYR 198 -20.721 -0.326 0.632 671 HA TYR 198 HA TYR 198 -23.508 0.033 1.079 672 1HB TYR 198 2HB TYR 198 -21.987 -1.990 1.586 673 2HB TYR 198 1HB TYR 198 -21.446 -1.072 2.990 674 HD1 TYR 198 1HD TYR 198 -22.603 -3.681 3.403 675 HD2 TYR 198 2HD TYR 198 -24.585 0.060 2.973 676 HE1 TYR 198 1HE TYR 198 -24.510 -4.547 4.690 677 HE2 TYR 198 2HE TYR 198 -26.495 -0.796 4.258 678 HH TYR 198 HH TYR 198 -26.367 -3.748 5.996 Start of MODEL 11 1 1H ILE 1 1HT ILE 1 -3.048 17.041 -5.252 2 2H ILE 1 2HT ILE 1 -4.524 17.048 -6.127 3 3H ILE 1 3HT ILE 1 -3.124 17.785 -6.794 4 HA ILE 1 HA ILE 1 -3.330 15.800 -7.891 5 HB ILE 1 HB ILE 1 -1.417 15.249 -5.621 6 1HG1 ILE 1 2HG1 ILE 1 0.182 16.283 -7.477 7 2HG1 ILE 1 1HG1 ILE 1 -1.292 17.134 -7.931 8 1HG2 ILE 1 1HG2 ILE 1 -0.528 13.598 -6.863 9 2HG2 ILE 1 2HG2 ILE 1 -0.756 14.472 -8.377 10 3HG2 ILE 1 3HG2 ILE 1 -2.105 13.599 -7.652 11 1HD1 ILE 1 1HD1 ILE 1 0.159 18.401 -6.389 12 2HD1 ILE 1 2HD1 ILE 1 -0.099 17.151 -5.171 13 3HD1 ILE 1 3HD1 ILE 1 -1.460 18.113 -5.751 14 H VAL 2 H VAL 2 -3.627 15.272 -4.393 15 HA VAL 2 HA VAL 2 -4.769 13.723 -3.182 16 HB VAL 2 HB VAL 2 -6.265 13.439 -5.787 17 1HG1 VAL 2 1HG1 VAL 2 -6.371 11.791 -3.399 18 2HG1 VAL 2 2HG1 VAL 2 -7.090 11.528 -4.985 19 3HG1 VAL 2 3HG1 VAL 2 -7.928 12.517 -3.789 20 1HG2 VAL 2 1HG2 VAL 2 -6.653 14.993 -3.257 21 2HG2 VAL 2 2HG2 VAL 2 -8.032 14.574 -4.272 22 3HG2 VAL 2 3HG2 VAL 2 -6.718 15.549 -4.929 23 H CYS 3 H CYS 3 -4.596 11.553 -2.614 24 HA CYS 3 HA CYS 3 -3.044 9.905 -4.489 25 1HB CYS 3 2HB CYS 3 -1.842 9.035 -2.645 26 2HB CYS 3 1HB CYS 3 -1.915 10.782 -2.412 27 H HIS 4 H HIS 4 -6.088 9.929 -4.051 28 HA HIS 4 HA HIS 4 -7.723 8.337 -4.068 29 1HB HIS 4 2HB HIS 4 -5.390 6.940 -4.872 30 2HB HIS 4 1HB HIS 4 -6.245 5.907 -3.725 31 HD1 HIS 4 1HD HIS 4 -7.401 4.246 -5.161 32 HD2 HIS 4 2HD HIS 4 -7.862 8.124 -6.579 33 HE1 HIS 4 1HE HIS 4 -9.004 4.070 -7.090 34 HE2 HIS 4 2HE HIS 4 -9.345 6.441 -7.867 35 H THR 5 H THR 5 -8.762 6.697 -2.619 36 HA THR 5 HA THR 5 -8.214 7.384 0.115 37 HB THR 5 HB THR 5 -10.286 6.484 0.604 38 HG1 THR 5 1HG THR 5 -10.285 4.419 0.098 39 1HG2 THR 5 1HG2 THR 5 -11.853 7.044 -1.081 40 2HG2 THR 5 2HG2 THR 5 -10.659 6.839 -2.355 41 3HG2 THR 5 3HG2 THR 5 -10.518 8.182 -1.223 42 H THR 6 H THR 6 -8.915 4.957 1.395 43 HA THR 6 HA THR 6 -6.350 3.686 1.421 44 HB THR 6 HB THR 6 -7.162 2.421 3.266 45 HG1 THR 6 1HG THR 6 -9.723 3.070 2.268 46 1HG2 THR 6 1HG2 THR 6 -6.896 4.774 3.817 47 2HG2 THR 6 2HG2 THR 6 -8.210 4.043 4.739 48 3HG2 THR 6 3HG2 THR 6 -8.571 5.076 3.357 49 H ALA 7 H ALA 7 -7.052 3.315 -1.100 50 HA ALA 7 HA ALA 7 -7.522 1.815 -2.756 51 1HB ALA 7 1HB ALA 7 -6.434 -0.258 -2.528 52 2HB ALA 7 2HB ALA 7 -6.676 -0.286 -0.781 53 3HB ALA 7 3HB ALA 7 -5.530 0.850 -1.493 54 H THR 8 H THR 8 -8.265 -1.045 -2.204 55 HA THR 8 HA THR 8 -10.093 -2.347 -1.818 56 HB THR 8 HB THR 8 -11.764 -0.269 -0.555 57 HG1 THR 8 1HG THR 8 -10.498 -0.152 1.287 58 1HG2 THR 8 1HG2 THR 8 -12.083 -2.816 -0.536 59 2HG2 THR 8 2HG2 THR 8 -12.319 -1.919 0.964 60 3HG2 THR 8 3HG2 THR 8 -10.820 -2.807 0.693 61 H SER 9 H SER 9 -12.285 -2.641 -2.581 62 HA SER 9 HA SER 9 -12.707 -1.346 -5.078 63 1HB SER 9 2HB SER 9 -14.947 -2.743 -4.858 64 2HB SER 9 1HB SER 9 -13.404 -3.534 -5.179 65 HG SER 9 HG SER 9 -14.820 -4.357 -3.390 66 HA PRO 10 HA PRO 10 -16.634 0.467 -2.817 67 1HB PRO 10 2HB PRO 10 -16.354 0.871 -0.141 68 2HB PRO 10 1HB PRO 10 -17.061 -0.599 -0.827 69 1HG PRO 10 2HG PRO 10 -14.254 -0.112 0.111 70 2HG PRO 10 1HG PRO 10 -15.317 -1.489 0.455 71 1HD PRO 10 2HD PRO 10 -13.417 -1.648 -1.405 72 2HD PRO 10 1HD PRO 10 -14.996 -2.421 -1.650 73 H ILE 11 H ILE 11 -13.400 1.154 -1.586 74 HA ILE 11 HA ILE 11 -12.161 3.082 -1.673 75 HB ILE 11 HB ILE 11 -14.557 4.545 -2.773 76 1HG1 ILE 11 2HG1 ILE 11 -12.580 3.692 -4.742 77 2HG1 ILE 11 1HG1 ILE 11 -13.385 2.328 -3.974 78 1HG2 ILE 11 1HG2 ILE 11 -12.444 5.667 -3.948 79 2HG2 ILE 11 2HG2 ILE 11 -11.670 5.100 -2.469 80 3HG2 ILE 11 3HG2 ILE 11 -13.054 6.189 -2.379 81 1HD1 ILE 11 1HD1 ILE 11 -14.560 2.937 -5.971 82 2HD1 ILE 11 2HD1 ILE 11 -14.699 4.610 -5.427 83 3HD1 ILE 11 3HD1 ILE 11 -15.559 3.330 -4.571 84 H SER 12 H SER 12 -12.017 5.178 -0.517 85 HA SER 12 HA SER 12 -14.137 5.542 1.482 86 1HB SER 12 2HB SER 12 -12.422 4.103 2.506 87 2HB SER 12 1HB SER 12 -11.193 5.319 2.157 88 HG SER 12 HG SER 12 -13.494 5.887 3.701 89 H ALA 13 H ALA 13 -11.479 7.268 2.483 90 HA ALA 13 HA ALA 13 -12.510 9.692 1.201 91 1HB ALA 13 1HB ALA 13 -11.490 9.064 3.834 92 2HB ALA 13 2HB ALA 13 -12.428 10.455 3.291 93 3HB ALA 13 3HB ALA 13 -10.671 10.462 3.136 94 H VAL 14 H VAL 14 -11.403 10.624 -0.388 95 HA VAL 14 HA VAL 14 -8.759 9.674 -1.059 96 HB VAL 14 HB VAL 14 -9.733 11.950 -2.617 97 1HG1 VAL 14 1HG1 VAL 14 -8.895 10.761 -4.384 98 2HG1 VAL 14 2HG1 VAL 14 -9.325 9.204 -3.680 99 3HG1 VAL 14 3HG1 VAL 14 -7.937 10.097 -3.060 100 1HG2 VAL 14 1HG2 VAL 14 -11.448 10.361 -3.767 101 2HG2 VAL 14 2HG2 VAL 14 -11.926 11.291 -2.348 102 3HG2 VAL 14 3HG2 VAL 14 -11.506 9.587 -2.185 103 H THR 15 H THR 15 -7.180 11.398 -1.855 104 HA THR 15 HA THR 15 -5.815 13.174 -1.485 105 HB THR 15 HB THR 15 -6.656 15.196 -0.724 106 HG1 THR 15 1HG THR 15 -7.207 14.628 1.364 107 1HG2 THR 15 1HG2 THR 15 -8.406 15.477 -2.048 108 2HG2 THR 15 2HG2 THR 15 -9.406 14.388 -1.086 109 3HG2 THR 15 3HG2 THR 15 -8.349 13.740 -2.340 110 H CYS 16 H CYS 16 -4.489 14.160 0.205 111 HA CYS 16 HA CYS 16 -4.647 13.348 2.904 112 1HB CYS 16 2HB CYS 16 -4.093 11.143 2.161 113 2HB CYS 16 1HB CYS 16 -2.792 11.743 1.138 114 HA PRO 17 HA PRO 17 -0.242 15.318 2.124 115 1HB PRO 17 2HB PRO 17 0.078 16.266 -0.456 116 2HB PRO 17 1HB PRO 17 0.762 14.761 0.163 117 1HG PRO 17 2HG PRO 17 -1.723 15.198 -1.442 118 2HG PRO 17 1HG PRO 17 -0.509 13.911 -1.579 119 1HD PRO 17 2HD PRO 17 -2.860 13.471 -0.390 120 2HD PRO 17 1HD PRO 17 -1.368 12.739 0.232 121 HA PRO 18 HA PRO 18 -2.851 19.047 2.460 122 1HB PRO 18 2HB PRO 18 -0.901 19.812 4.508 123 2HB PRO 18 1HB PRO 18 -2.640 19.558 4.666 124 1HG PRO 18 2HG PRO 18 -0.834 17.867 5.743 125 2HG PRO 18 1HG PRO 18 -2.404 17.316 5.133 126 1HD PRO 18 2HD PRO 18 0.293 17.164 3.835 127 2HD PRO 18 1HD PRO 18 -0.998 15.946 3.891 128 H GLY 19 H GLY 19 0.680 19.163 2.909 129 1HA GLY 19 2HA GLY 19 0.752 21.492 1.095 130 2HA GLY 19 1HA GLY 19 1.906 21.212 2.396 131 H GLU 20 H GLU 20 2.200 18.404 1.869 132 HA GLU 20 HA GLU 20 4.250 18.546 -0.115 133 1HB GLU 20 2HB GLU 20 4.520 16.116 0.345 134 2HB GLU 20 1HB GLU 20 4.566 17.109 1.794 135 1HG GLU 20 2HG GLU 20 1.877 16.333 1.364 136 2HG GLU 20 1HG GLU 20 2.890 14.900 1.200 137 H ASN 21 H ASN 21 4.245 16.347 -1.596 138 HA ASN 21 HA ASN 21 1.711 16.421 -3.097 139 1HB ASN 21 2HB ASN 21 4.523 16.740 -4.028 140 2HB ASN 21 1HB ASN 21 3.404 15.873 -5.080 141 1HD2 ASN 21 1HD2 ASN 21 4.187 17.897 -6.318 142 2HD2 ASN 21 2HD2 ASN 21 3.132 19.262 -6.232 143 H LEU 22 H LEU 22 3.631 14.484 -1.270 144 HA LEU 22 HA LEU 22 3.130 12.080 -2.878 145 1HB LEU 22 2HB LEU 22 4.689 11.922 -0.361 146 2HB LEU 22 1HB LEU 22 4.907 11.066 -1.872 147 HG LEU 22 HG LEU 22 5.609 13.498 -2.712 148 1HD1 LEU 22 1HD1 LEU 22 6.360 14.945 -1.154 149 2HD1 LEU 22 2HD1 LEU 22 6.888 13.665 -0.061 150 3HD1 LEU 22 3HD1 LEU 22 5.185 14.118 -0.131 151 1HD2 LEU 22 1HD2 LEU 22 7.682 12.626 -2.873 152 2HD2 LEU 22 2HD2 LEU 22 6.876 11.158 -2.320 153 3HD2 LEU 22 3HD2 LEU 22 7.742 12.174 -1.169 154 H CYS 23 H CYS 23 2.776 10.078 -1.322 155 HA CYS 23 HA CYS 23 1.100 10.642 0.954 156 1HB CYS 23 2HB CYS 23 -0.399 10.983 -1.005 157 2HB CYS 23 1HB CYS 23 -0.121 9.302 -1.459 158 H TYR 24 H TYR 24 3.404 8.798 -0.320 159 HA TYR 24 HA TYR 24 4.227 6.700 0.016 160 1HB TYR 24 2HB TYR 24 2.816 7.399 2.527 161 2HB TYR 24 1HB TYR 24 3.282 5.718 2.328 162 HD1 TYR 24 1HD TYR 24 5.012 8.881 1.353 163 HD2 TYR 24 2HD TYR 24 5.106 5.332 3.699 164 HE1 TYR 24 1HE TYR 24 7.294 9.430 2.083 165 HE2 TYR 24 2HE TYR 24 7.388 5.874 4.436 166 HH TYR 24 HH TYR 24 8.819 8.932 3.893 167 H ARG 25 H ARG 25 3.574 4.339 0.569 168 HA ARG 25 HA ARG 25 1.121 3.234 0.571 169 1HB ARG 25 2HB ARG 25 0.313 4.416 -1.314 170 2HB ARG 25 1HB ARG 25 1.792 4.146 -2.223 171 1HG ARG 25 2HG ARG 25 0.489 1.661 -1.490 172 2HG ARG 25 1HG ARG 25 -0.563 2.720 -2.431 173 1HD ARG 25 2HD ARG 25 1.450 2.985 -4.002 174 2HD ARG 25 1HD ARG 25 2.110 1.574 -3.176 175 HE ARG 25 HE ARG 25 -0.541 1.084 -4.058 176 1HH1 ARG 25 1HH1 ARG 25 2.742 1.347 -5.212 177 2HH1 ARG 25 2HH1 ARG 25 2.486 0.289 -6.559 178 1HH2 ARG 25 1HH2 ARG 25 -0.879 -0.308 -5.830 179 2HH2 ARG 25 2HH2 ARG 25 0.431 -0.650 -6.910 180 H LYS 26 H LYS 26 2.002 1.388 1.350 181 HA LYS 26 HA LYS 26 4.371 0.188 0.457 182 1HB LYS 26 2HB LYS 26 1.979 -0.862 1.954 183 2HB LYS 26 1HB LYS 26 3.302 -1.929 1.504 184 1HG LYS 26 2HG LYS 26 3.948 -1.330 3.608 185 2HG LYS 26 1HG LYS 26 4.768 -0.088 2.660 186 1HD LYS 26 2HD LYS 26 2.127 0.810 3.242 187 2HD LYS 26 1HD LYS 26 2.868 0.246 4.740 188 1HE LYS 26 2HE LYS 26 4.910 1.643 3.945 189 2HE LYS 26 1HE LYS 26 3.735 2.443 2.902 190 1HZ LYS 26 1HZ LYS 26 3.421 3.745 4.678 191 2HZ LYS 26 2HZ LYS 26 4.094 2.634 5.762 192 3HZ LYS 26 3HZ LYS 26 2.482 2.471 5.277 193 H MET 27 H MET 27 4.139 -2.317 -0.361 194 HA MET 27 HA MET 27 2.154 -2.424 -2.491 195 1HB MET 27 2HB MET 27 4.486 -1.345 -3.170 196 2HB MET 27 1HB MET 27 4.949 -3.035 -3.320 197 1HG MET 27 2HG MET 27 2.462 -2.753 -4.609 198 2HG MET 27 1HG MET 27 3.467 -1.402 -5.128 199 1HE MET 27 1HE MET 27 3.187 -4.302 -7.755 200 2HE MET 27 2HE MET 27 3.858 -2.696 -8.036 201 3HE MET 27 3HE MET 27 2.399 -2.885 -7.062 202 H TRP 28 H TRP 28 2.170 -3.998 -0.255 203 HA TRP 28 HA TRP 28 2.218 -6.138 0.522 204 1HB TRP 28 2HB TRP 28 1.555 -7.796 -1.364 205 2HB TRP 28 1HB TRP 28 0.436 -6.543 -0.876 206 HD1 TRP 28 HD TRP 28 -0.129 -4.642 -2.633 207 HE1 TRP 28 1HE TRP 28 0.269 -4.432 -5.163 208 HE3 TRP 28 3HE TRP 28 3.268 -8.408 -3.236 209 HZ2 TRP 28 2HZ TRP 28 1.817 -5.693 -7.154 210 HZ3 TRP 28 3HZ TRP 28 4.161 -8.844 -5.486 211 HH2 TRP 28 HH TRP 28 3.448 -7.512 -7.404 212 H CYS 29 H CYS 29 2.976 -8.436 0.151 213 HA CYS 29 HA CYS 29 4.851 -9.730 0.413 214 1HB CYS 29 2HB CYS 29 3.964 -9.636 -2.139 215 2HB CYS 29 1HB CYS 29 5.654 -9.188 -2.374 216 H ASP 30 H ASP 30 7.299 -9.651 -1.119 217 HA ASP 30 HA ASP 30 8.586 -7.135 -0.747 218 1HB ASP 30 2HB ASP 30 8.317 -8.185 1.617 219 2HB ASP 30 1HB ASP 30 9.605 -9.269 1.104 220 H ALA 31 H ALA 31 9.329 -7.440 -2.828 221 HA ALA 31 HA ALA 31 10.785 -8.072 -4.455 222 1HB ALA 31 1HB ALA 31 12.308 -9.440 -2.245 223 2HB ALA 31 2HB ALA 31 12.436 -7.727 -2.642 224 3HB ALA 31 3HB ALA 31 12.932 -8.943 -3.818 225 H PHE 32 H PHE 32 10.951 -9.675 -5.945 226 HA PHE 32 HA PHE 32 10.272 -11.572 -7.023 227 1HB PHE 32 2HB PHE 32 12.375 -12.311 -5.998 228 2HB PHE 32 1HB PHE 32 11.503 -12.809 -4.551 229 HD1 PHE 32 1HD PHE 32 10.645 -13.304 -8.138 230 HD2 PHE 32 2HD PHE 32 11.754 -15.107 -4.446 231 HE1 PHE 32 1HE PHE 32 10.291 -15.531 -9.122 232 HE2 PHE 32 2HE PHE 32 11.402 -17.337 -5.423 233 HZ PHE 32 HZ PHE 32 10.670 -17.551 -7.765 234 H CYS 33 H CYS 33 8.010 -11.191 -6.858 235 HA CYS 33 HA CYS 33 6.642 -13.285 -5.400 236 1HB CYS 33 2HB CYS 33 6.093 -10.361 -4.883 237 2HB CYS 33 1HB CYS 33 4.980 -11.651 -4.441 238 H SER 34 H SER 34 4.952 -14.048 -6.517 239 HA SER 34 HA SER 34 3.881 -12.400 -8.711 240 1HB SER 34 2HB SER 34 3.525 -14.947 -9.634 241 2HB SER 34 1HB SER 34 4.879 -13.908 -10.076 242 HG SER 34 HG SER 34 6.174 -15.147 -8.973 243 H SER 35 H SER 35 3.289 -15.123 -6.521 244 HA SER 35 HA SER 35 0.413 -14.900 -6.961 245 1HB SER 35 2HB SER 35 2.230 -16.946 -5.810 246 2HB SER 35 1HB SER 35 0.617 -16.845 -5.106 247 HG SER 35 HG SER 35 -0.266 -17.240 -7.109 248 H ARG 36 H ARG 36 2.698 -14.846 -4.230 249 HA ARG 36 HA ARG 36 0.878 -14.145 -2.235 250 1HB ARG 36 2HB ARG 36 3.804 -14.081 -2.576 251 2HB ARG 36 1HB ARG 36 3.181 -12.939 -1.395 252 1HG ARG 36 2HG ARG 36 3.787 -14.997 -0.305 253 2HG ARG 36 1HG ARG 36 2.036 -14.787 -0.244 254 1HD ARG 36 2HD ARG 36 1.944 -16.239 -2.327 255 2HD ARG 36 1HD ARG 36 3.632 -16.630 -2.003 256 HE ARG 36 HE ARG 36 2.422 -17.179 0.346 257 1HH1 ARG 36 1HH1 ARG 36 1.750 -18.124 -2.946 258 2HH1 ARG 36 2HH1 ARG 36 1.064 -19.650 -2.499 259 1HH2 ARG 36 1HH2 ARG 36 1.522 -19.187 0.934 260 2HH2 ARG 36 2HH2 ARG 36 0.934 -20.254 -0.297 261 H GLY 37 H GLY 37 1.667 -11.836 -1.012 262 1HA GLY 37 2HA GLY 37 1.942 -9.492 -1.414 263 2HA GLY 37 1HA GLY 37 1.262 -9.720 -3.015 264 H LYS 38 H LYS 38 -0.512 -8.481 -3.063 265 HA LYS 38 HA LYS 38 -2.598 -7.690 -2.607 266 1HB LYS 38 2HB LYS 38 -2.739 -10.231 -0.985 267 2HB LYS 38 1HB LYS 38 -4.109 -9.168 -1.264 268 1HG LYS 38 2HG LYS 38 -4.359 -10.842 -2.848 269 2HG LYS 38 1HG LYS 38 -3.640 -9.509 -3.745 270 1HD LYS 38 2HD LYS 38 -2.496 -11.466 -4.423 271 2HD LYS 38 1HD LYS 38 -1.401 -10.603 -3.347 272 1HE LYS 38 2HE LYS 38 -1.292 -12.885 -2.729 273 2HE LYS 38 1HE LYS 38 -2.246 -12.076 -1.489 274 1HZ LYS 38 1HZ LYS 38 -3.473 -13.958 -1.942 275 2HZ LYS 38 2HZ LYS 38 -3.142 -13.923 -3.600 276 3HZ LYS 38 3HZ LYS 38 -4.230 -12.814 -2.932 277 H VAL 39 H VAL 39 -1.405 -5.973 -1.527 278 HA VAL 39 HA VAL 39 -2.422 -5.548 1.142 279 HB VAL 39 HB VAL 39 0.556 -5.335 0.737 280 1HG1 VAL 39 1HG1 VAL 39 0.480 -5.263 3.267 281 2HG1 VAL 39 2HG1 VAL 39 -1.260 -5.022 3.103 282 3HG1 VAL 39 3HG1 VAL 39 -0.139 -3.848 2.416 283 1HG2 VAL 39 1HG2 VAL 39 0.016 -7.681 0.637 284 2HG2 VAL 39 2HG2 VAL 39 -0.997 -7.544 2.073 285 3HG2 VAL 39 3HG2 VAL 39 0.748 -7.323 2.201 286 H VAL 40 H VAL 40 -2.042 -3.317 1.865 287 HA VAL 40 HA VAL 40 -1.003 -1.414 -0.043 288 HB VAL 40 HB VAL 40 -3.110 -0.142 -0.258 289 1HG1 VAL 40 1HG1 VAL 40 -3.592 -2.965 -1.183 290 2HG1 VAL 40 2HG1 VAL 40 -2.378 -1.918 -1.920 291 3HG1 VAL 40 3HG1 VAL 40 -4.079 -1.459 -1.962 292 1HG2 VAL 40 1HG2 VAL 40 -5.248 -1.329 0.317 293 2HG2 VAL 40 2HG2 VAL 40 -4.294 -0.803 1.704 294 3HG2 VAL 40 3HG2 VAL 40 -4.277 -2.496 1.215 295 H GLU 41 H GLU 41 -1.593 0.924 0.844 296 HA GLU 41 HA GLU 41 -2.315 1.448 3.439 297 1HB GLU 41 2HB GLU 41 0.224 0.097 3.339 298 2HB GLU 41 1HB GLU 41 0.443 1.720 3.977 299 1HG GLU 41 2HG GLU 41 -1.499 -0.327 5.025 300 2HG GLU 41 1HG GLU 41 0.057 0.085 5.744 301 H LEU 42 H LEU 42 -0.952 3.460 4.350 302 HA LEU 42 HA LEU 42 -0.202 5.214 2.123 303 1HB LEU 42 2HB LEU 42 -1.599 7.010 2.922 304 2HB LEU 42 1HB LEU 42 -2.590 5.598 2.607 305 HG LEU 42 HG LEU 42 -1.632 6.364 5.363 306 1HD1 LEU 42 1HD1 LEU 42 -4.056 7.077 5.644 307 2HD1 LEU 42 2HD1 LEU 42 -4.136 7.109 3.884 308 3HD1 LEU 42 3HD1 LEU 42 -3.005 8.161 4.734 309 1HD2 LEU 42 1HD2 LEU 42 -3.274 4.196 4.218 310 2HD2 LEU 42 2HD2 LEU 42 -3.876 4.928 5.706 311 3HD2 LEU 42 3HD2 LEU 42 -2.262 4.216 5.663 312 H GLY 43 H GLY 43 0.493 7.461 3.193 313 1HA GLY 43 2HA GLY 43 1.736 7.196 5.784 314 2HA GLY 43 1HA GLY 43 2.883 7.147 4.451 315 H CYS 44 H CYS 44 2.245 9.021 2.739 316 HA CYS 44 HA CYS 44 2.223 11.250 2.308 317 1HB CYS 44 2HB CYS 44 0.383 10.974 4.574 318 2HB CYS 44 1HB CYS 44 1.121 12.571 4.460 319 H ALA 45 H ALA 45 4.446 11.436 2.386 320 HA ALA 45 HA ALA 45 5.492 12.714 4.822 321 1HB ALA 45 1HB ALA 45 7.370 11.148 3.149 322 2HB ALA 45 2HB ALA 45 6.238 10.246 4.157 323 3HB ALA 45 3HB ALA 45 7.346 11.402 4.894 324 H ALA 46 H ALA 46 8.022 13.326 3.855 325 HA ALA 46 HA ALA 46 7.590 14.889 1.419 326 1HB ALA 46 1HB ALA 46 7.008 16.419 3.198 327 2HB ALA 46 2HB ALA 46 8.541 16.905 2.475 328 3HB ALA 46 3HB ALA 46 8.524 16.074 4.030 329 H THR 47 H THR 47 9.024 12.719 1.242 330 HA THR 47 HA THR 47 11.589 13.587 0.481 331 HB THR 47 HB THR 47 11.771 13.525 3.033 332 HG1 THR 47 1HG THR 47 13.660 13.576 1.970 333 1HG2 THR 47 1HG2 THR 47 11.683 10.568 2.514 334 2HG2 THR 47 2HG2 THR 47 10.679 11.507 3.618 335 3HG2 THR 47 3HG2 THR 47 12.397 11.293 3.954 336 H CYS 48 H CYS 48 12.488 12.144 -0.946 337 HA CYS 48 HA CYS 48 11.167 9.517 -1.130 338 1HB CYS 48 2HB CYS 48 12.060 11.411 -3.283 339 2HB CYS 48 1HB CYS 48 11.804 9.702 -3.614 340 HA PRO 49 HA PRO 49 16.047 9.259 -1.102 341 1HB PRO 49 2HB PRO 49 15.706 8.331 1.685 342 2HB PRO 49 1HB PRO 49 16.934 9.397 0.997 343 1HG PRO 49 2HG PRO 49 14.975 10.335 2.565 344 2HG PRO 49 1HG PRO 49 15.613 11.272 1.203 345 1HD PRO 49 2HD PRO 49 13.061 9.741 1.421 346 2HD PRO 49 1HD PRO 49 13.403 11.273 0.597 347 H SER 50 H SER 50 13.257 7.466 -0.172 348 HA SER 50 HA SER 50 13.975 4.953 0.399 349 1HB SER 50 2HB SER 50 11.675 5.315 0.150 350 2HB SER 50 1HB SER 50 11.858 5.959 -1.481 351 HG SER 50 HG SER 50 12.162 3.928 -2.255 352 H LYS 51 H LYS 51 15.052 3.307 -0.445 353 HA LYS 51 HA LYS 51 15.388 2.876 -3.241 354 1HB LYS 51 2HB LYS 51 17.604 4.138 -1.668 355 2HB LYS 51 1HB LYS 51 17.989 3.022 -2.971 356 1HG LYS 51 2HG LYS 51 16.339 4.558 -4.324 357 2HG LYS 51 1HG LYS 51 16.781 5.732 -3.084 358 1HD LYS 51 2HD LYS 51 18.873 4.178 -4.571 359 2HD LYS 51 1HD LYS 51 18.179 5.654 -5.244 360 1HE LYS 51 2HE LYS 51 19.424 5.490 -2.507 361 2HE LYS 51 1HE LYS 51 20.314 5.960 -3.954 362 1HZ LYS 51 1HZ LYS 51 18.490 7.490 -2.360 363 2HZ LYS 51 2HZ LYS 51 18.109 7.551 -4.007 364 3HZ LYS 51 3HZ LYS 51 19.647 8.015 -3.478 365 H LYS 52 H LYS 52 16.534 2.208 0.032 366 HA LYS 52 HA LYS 52 16.881 -0.607 -0.751 367 1HB LYS 52 2HB LYS 52 18.240 -0.081 1.708 368 2HB LYS 52 1HB LYS 52 18.903 -0.620 0.174 369 1HG LYS 52 2HG LYS 52 18.352 2.277 0.725 370 2HG LYS 52 1HG LYS 52 19.864 1.501 1.192 371 1HD LYS 52 2HD LYS 52 19.081 0.952 -1.567 372 2HD LYS 52 1HD LYS 52 19.345 2.666 -1.239 373 1HE LYS 52 2HE LYS 52 21.567 2.383 -0.808 374 2HE LYS 52 1HE LYS 52 21.353 0.741 -0.204 375 1HZ LYS 52 1HZ LYS 52 22.447 1.247 -2.536 376 2HZ LYS 52 2HZ LYS 52 20.833 1.201 -3.040 377 3HZ LYS 52 3HZ LYS 52 21.516 -0.140 -2.269 378 HA PRO 53 HA PRO 53 15.070 -0.941 3.714 379 1HB PRO 53 2HB PRO 53 14.201 1.414 4.849 380 2HB PRO 53 1HB PRO 53 15.763 0.658 5.178 381 1HG PRO 53 2HG PRO 53 15.099 2.898 3.312 382 2HG PRO 53 1HG PRO 53 16.491 2.716 4.397 383 1HD PRO 53 2HD PRO 53 16.693 2.252 1.766 384 2HD PRO 53 1HD PRO 53 17.590 1.280 2.947 385 H TYR 54 H TYR 54 13.290 2.070 3.244 386 HA TYR 54 HA TYR 54 10.806 0.692 3.028 387 1HB TYR 54 2HB TYR 54 10.543 3.336 1.974 388 2HB TYR 54 1HB TYR 54 10.056 2.737 3.561 389 HD1 TYR 54 1HD TYR 54 12.606 4.528 1.684 390 HD2 TYR 54 2HD TYR 54 11.528 2.971 5.482 391 HE1 TYR 54 1HE TYR 54 14.423 5.805 2.708 392 HE2 TYR 54 2HE TYR 54 13.331 4.249 6.531 393 HH TYR 54 HH TYR 54 15.085 6.691 4.837 394 H GLU 55 H GLU 55 11.256 -0.788 1.294 395 HA GLU 55 HA GLU 55 11.690 0.212 -1.366 396 1HB GLU 55 2HB GLU 55 11.215 -2.495 -0.167 397 2HB GLU 55 1HB GLU 55 11.111 -2.275 -1.908 398 1HG GLU 55 2HG GLU 55 13.468 -1.066 -1.408 399 2HG GLU 55 1HG GLU 55 13.455 -2.285 -0.135 400 H GLU 56 H GLU 56 9.147 -2.049 -0.382 401 HA GLU 56 HA GLU 56 7.366 -1.336 -2.391 402 1HB GLU 56 2HB GLU 56 6.521 -2.405 0.295 403 2HB GLU 56 1HB GLU 56 5.758 -2.666 -1.267 404 1HG GLU 56 2HG GLU 56 6.824 -4.619 -1.231 405 2HG GLU 56 1HG GLU 56 8.234 -3.676 -1.713 406 H VAL 57 H VAL 57 8.063 0.261 0.588 407 HA VAL 57 HA VAL 57 5.681 1.570 1.145 408 HB VAL 57 HB VAL 57 8.464 2.722 1.416 409 1HG1 VAL 57 1HG1 VAL 57 7.527 4.165 3.110 410 2HG1 VAL 57 2HG1 VAL 57 5.941 3.421 2.913 411 3HG1 VAL 57 3HG1 VAL 57 6.634 4.377 1.604 412 1HG2 VAL 57 1HG2 VAL 57 7.930 1.938 3.878 413 2HG2 VAL 57 2HG2 VAL 57 8.640 0.837 2.697 414 3HG2 VAL 57 3HG2 VAL 57 6.910 0.771 3.036 415 H THR 58 H THR 58 8.410 2.908 -0.727 416 HA THR 58 HA THR 58 8.500 4.459 -2.391 417 HB THR 58 HB THR 58 5.662 4.115 -3.164 418 HG1 THR 58 1HG THR 58 5.812 2.038 -2.783 419 1HG2 THR 58 1HG2 THR 58 6.445 4.075 -5.332 420 2HG2 THR 58 2HG2 THR 58 8.045 3.508 -4.855 421 3HG2 THR 58 3HG2 THR 58 7.569 5.176 -4.533 422 H CYS 59 H CYS 59 8.645 6.505 -1.744 423 HA CYS 59 HA CYS 59 7.099 7.855 0.057 424 1HB CYS 59 2HB CYS 59 7.897 9.963 -1.078 425 2HB CYS 59 1HB CYS 59 9.167 8.815 -0.656 426 H CYS 60 H CYS 60 6.419 7.282 -3.310 427 HA CYS 60 HA CYS 60 4.486 7.472 -4.499 428 1HB CYS 60 2HB CYS 60 3.587 7.487 -1.826 429 2HB CYS 60 1HB CYS 60 2.751 8.813 -2.623 430 H SER 61 H SER 61 2.865 9.235 -5.209 431 HA SER 61 HA SER 61 2.845 11.860 -4.857 432 1HB SER 61 2HB SER 61 4.687 12.677 -6.530 433 2HB SER 61 1HB SER 61 5.136 12.317 -4.859 434 HG SER 61 HG SER 61 5.343 10.452 -6.986 435 H THR 62 H THR 62 0.951 10.703 -5.923 436 HA THR 62 HA THR 62 0.761 11.632 -8.631 437 HB THR 62 HB THR 62 0.048 8.768 -8.498 438 HG1 THR 62 1HG THR 62 2.765 9.528 -8.732 439 1HG2 THR 62 1HG2 THR 62 0.318 8.815 -10.710 440 2HG2 THR 62 2HG2 THR 62 1.820 9.735 -10.611 441 3HG2 THR 62 3HG2 THR 62 0.269 10.567 -10.513 442 H ASP 63 H ASP 63 -1.457 10.931 -9.572 443 HA ASP 63 HA ASP 63 -3.449 11.787 -7.740 444 1HB ASP 63 2HB ASP 63 -3.383 10.943 -10.591 445 2HB ASP 63 1HB ASP 63 -4.939 10.884 -9.770 446 H LYS 64 H LYS 64 -2.625 8.652 -9.156 447 HA LYS 64 HA LYS 64 -4.473 7.382 -7.242 448 1HB LYS 64 2HB LYS 64 -3.503 6.110 -9.798 449 2HB LYS 64 1HB LYS 64 -4.855 5.618 -8.779 450 1HG LYS 64 2HG LYS 64 -4.729 8.147 -10.413 451 2HG LYS 64 1HG LYS 64 -5.593 6.673 -10.860 452 1HD LYS 64 2HD LYS 64 -6.871 6.920 -8.692 453 2HD LYS 64 1HD LYS 64 -6.156 8.527 -8.554 454 1HE LYS 64 2HE LYS 64 -7.741 7.598 -10.942 455 2HE LYS 64 1HE LYS 64 -8.446 8.463 -9.577 456 1HZ LYS 64 1HZ LYS 64 -6.315 9.467 -11.386 457 2HZ LYS 64 2HZ LYS 64 -6.893 10.292 -10.028 458 3HZ LYS 64 3HZ LYS 64 -7.922 9.994 -11.336 459 H CYS 65 H CYS 65 -2.842 7.362 -5.626 460 HA CYS 65 HA CYS 65 -0.319 6.098 -6.053 461 1HB CYS 65 2HB CYS 65 -1.730 7.384 -3.826 462 2HB CYS 65 1HB CYS 65 -0.703 6.043 -3.330 463 H ASN 66 H ASN 66 -3.481 5.000 -5.123 464 HA ASN 66 HA ASN 66 -2.402 2.274 -4.855 465 1HB ASN 66 2HB ASN 66 -4.386 1.903 -3.253 466 2HB ASN 66 1HB ASN 66 -2.993 2.790 -2.640 467 1HD2 ASN 66 1HD2 ASN 66 -3.153 5.211 -2.915 468 2HD2 ASN 66 2HD2 ASN 66 -4.686 5.928 -2.565 469 HA PRO 67 HA PRO 67 -5.623 2.475 -8.215 470 1HB PRO 67 2HB PRO 67 -3.728 0.737 -9.634 471 2HB PRO 67 1HB PRO 67 -4.451 2.263 -10.149 472 1HG PRO 67 2HG PRO 67 -1.844 2.064 -9.507 473 2HG PRO 67 1HG PRO 67 -2.786 3.532 -9.188 474 1HD PRO 67 2HD PRO 67 -1.990 1.341 -7.302 475 2HD PRO 67 1HD PRO 67 -1.993 3.101 -7.049 476 H HIS 68 H HIS 68 -6.429 1.072 -6.259 477 HA HIS 68 HA HIS 68 -7.493 -0.823 -5.591 478 1HB HIS 68 2HB HIS 68 -7.306 -1.125 -8.535 479 2HB HIS 68 1HB HIS 68 -7.681 -2.582 -7.622 480 HD1 HIS 68 1HD HIS 68 -10.066 -2.900 -7.000 481 HD2 HIS 68 2HD HIS 68 -9.223 1.043 -8.001 482 HE1 HIS 68 1HE HIS 68 -12.285 -1.716 -6.996 483 HE2 HIS 68 2HE HIS 68 -11.759 0.648 -7.687 484 HA PRO 69 HA PRO 69 -4.449 -3.705 -4.234 485 1HB PRO 69 2HB PRO 69 -6.482 -5.848 -4.516 486 2HB PRO 69 1HB PRO 69 -5.576 -5.338 -3.087 487 1HG PRO 69 2HG PRO 69 -8.161 -4.743 -3.346 488 2HG PRO 69 1HG PRO 69 -7.022 -3.584 -2.634 489 1HD PRO 69 2HD PRO 69 -8.208 -3.633 -5.381 490 2HD PRO 69 1HD PRO 69 -7.908 -2.250 -4.307 491 H LYS 70 H LYS 70 -4.172 -6.388 -4.786 492 HA LYS 70 HA LYS 70 -3.792 -6.435 -7.705 493 1HB LYS 70 2HB LYS 70 -1.706 -7.606 -7.424 494 2HB LYS 70 1HB LYS 70 -1.662 -6.121 -6.485 495 1HG LYS 70 2HG LYS 70 -1.319 -7.221 -4.588 496 2HG LYS 70 1HG LYS 70 -2.623 -8.358 -4.920 497 1HD LYS 70 2HD LYS 70 0.183 -8.506 -6.019 498 2HD LYS 70 1HD LYS 70 -0.481 -9.514 -4.732 499 1HE LYS 70 2HE LYS 70 -1.188 -10.953 -6.267 500 2HE LYS 70 1HE LYS 70 -2.261 -9.707 -6.907 501 1HZ LYS 70 1HZ LYS 70 0.295 -10.655 -7.917 502 2HZ LYS 70 2HZ LYS 70 0.034 -8.988 -8.027 503 3HZ LYS 70 3HZ LYS 70 -1.050 -10.062 -8.755 504 H GLN 71 H GLN 71 -4.587 -8.260 -4.810 505 HA GLN 71 HA GLN 71 -4.788 -10.733 -4.921 506 1HB GLN 71 2HB GLN 71 -6.590 -9.240 -3.922 507 2HB GLN 71 1HB GLN 71 -7.468 -9.463 -5.429 508 1HG GLN 71 2HG GLN 71 -6.724 -12.028 -4.585 509 2HG GLN 71 1HG GLN 71 -7.296 -11.185 -3.147 510 1HE2 GLN 71 1HE2 GLN 71 -9.346 -11.565 -2.772 511 2HE2 GLN 71 2HE2 GLN 71 -10.591 -11.744 -3.957 512 H ARG 72 H ARG 72 -3.785 -11.375 -6.903 513 HA ARG 72 HA ARG 72 -4.785 -13.137 -8.480 514 1HB ARG 72 2HB ARG 72 -6.047 -10.582 -9.359 515 2HB ARG 72 1HB ARG 72 -5.526 -11.689 -10.614 516 1HG ARG 72 2HG ARG 72 -7.762 -11.921 -8.692 517 2HG ARG 72 1HG ARG 72 -7.652 -12.419 -10.375 518 1HD ARG 72 2HD ARG 72 -7.790 -14.426 -9.205 519 2HD ARG 72 1HD ARG 72 -6.066 -14.248 -9.527 520 HE ARG 72 HE ARG 72 -6.250 -13.151 -7.105 521 1HH1 ARG 72 1HH1 ARG 72 -7.577 -16.136 -8.348 522 2HH1 ARG 72 2HH1 ARG 72 -7.532 -16.937 -6.814 523 1HH2 ARG 72 1HH2 ARG 72 -6.189 -14.209 -5.092 524 2HH2 ARG 72 2HH2 ARG 72 -6.745 -15.846 -4.967 525 HA PRO 73 HA PRO 73 -0.945 -12.978 -10.586 526 1HB PRO 73 2HB PRO 73 -2.447 -13.262 -13.150 527 2HB PRO 73 1HB PRO 73 -1.082 -14.202 -12.535 528 1HG PRO 73 2HG PRO 73 -3.546 -15.199 -12.471 529 2HG PRO 73 1HG PRO 73 -2.419 -15.474 -11.130 530 1HD PRO 73 2HD PRO 73 -4.758 -13.634 -11.295 531 2HD PRO 73 1HD PRO 73 -4.128 -14.539 -9.905 532 H GLY 74 H GLY 74 -3.422 -11.356 -12.594 533 1HA GLY 74 2HA GLY 74 -3.451 -9.278 -13.570 534 2HA GLY 74 1HA GLY 74 -2.291 -8.786 -12.339 535 1H TYR 181 1HT TYR 181 -3.136 -21.187 26.371 536 2H TYR 181 2HT TYR 181 -2.001 -21.586 25.146 537 3H TYR 181 3HT TYR 181 -3.684 -21.648 24.814 538 HA TYR 181 HA TYR 181 -3.912 -19.379 24.875 539 1HB TYR 181 2HB TYR 181 -1.261 -19.524 26.279 540 2HB TYR 181 1HB TYR 181 -1.765 -18.028 25.500 541 HD1 TYR 181 1HD TYR 181 -1.925 -19.968 28.462 542 HD2 TYR 181 2HD TYR 181 -4.099 -17.108 26.182 543 HE1 TYR 181 1HE TYR 181 -3.233 -19.378 30.459 544 HE2 TYR 181 2HE TYR 181 -5.412 -16.511 28.174 545 HH TYR 181 HH TYR 181 -6.052 -17.434 30.304 546 H ARG 182 H ARG 182 -3.904 -18.732 22.828 547 HA ARG 182 HA ARG 182 -1.710 -19.554 21.079 548 1HB ARG 182 2HB ARG 182 -4.227 -19.898 20.569 549 2HB ARG 182 1HB ARG 182 -4.226 -18.186 20.168 550 1HG ARG 182 2HG ARG 182 -2.900 -18.481 18.313 551 2HG ARG 182 1HG ARG 182 -2.198 -19.980 18.923 552 1HD ARG 182 2HD ARG 182 -4.343 -21.116 18.575 553 2HD ARG 182 1HD ARG 182 -5.031 -19.616 17.953 554 HE ARG 182 HE ARG 182 -2.874 -20.031 16.365 555 1HH1 ARG 182 1HH1 ARG 182 -5.609 -22.001 17.269 556 2HH1 ARG 182 2HH1 ARG 182 -5.626 -22.883 15.779 557 1HH2 ARG 182 1HH2 ARG 182 -2.895 -21.190 14.403 558 2HH2 ARG 182 2HH2 ARG 182 -4.085 -22.423 14.152 559 H GLY 183 H GLY 183 -3.435 -16.656 22.148 560 1HA GLY 183 2HA GLY 183 -2.231 -14.611 22.528 561 2HA GLY 183 1HA GLY 183 -1.132 -15.066 21.234 562 H TRP 184 H TRP 184 -4.565 -15.450 20.853 563 HA TRP 184 HA TRP 184 -6.116 -14.407 19.559 564 1HB TRP 184 2HB TRP 184 -5.442 -12.371 20.843 565 2HB TRP 184 1HB TRP 184 -4.263 -12.017 19.584 566 HD1 TRP 184 HD TRP 184 -7.958 -13.099 19.129 567 HE1 TRP 184 1HE TRP 184 -9.141 -11.301 17.719 568 HE3 TRP 184 3HE TRP 184 -4.122 -9.746 18.702 569 HZ2 TRP 184 2HZ TRP 184 -8.530 -8.793 16.576 570 HZ3 TRP 184 3HZ TRP 184 -4.504 -7.672 17.434 571 HH2 TRP 184 HH TRP 184 -6.663 -7.208 16.393 572 H LYS 185 H LYS 185 -3.004 -13.126 18.366 573 HA LYS 185 HA LYS 185 -1.942 -13.362 16.362 574 1HB LYS 185 2HB LYS 185 -2.693 -15.796 16.638 575 2HB LYS 185 1HB LYS 185 -4.011 -15.395 15.546 576 1HG LYS 185 2HG LYS 185 -2.613 -15.126 13.737 577 2HG LYS 185 1HG LYS 185 -1.200 -14.800 14.743 578 1HD LYS 185 2HD LYS 185 -0.665 -16.971 14.871 579 2HD LYS 185 1HD LYS 185 -2.332 -17.447 15.199 580 1HE LYS 185 2HE LYS 185 -2.739 -17.953 13.049 581 2HE LYS 185 1HE LYS 185 -1.845 -16.557 12.449 582 1HZ LYS 185 1HZ LYS 185 -0.241 -18.674 13.620 583 2HZ LYS 185 2HZ LYS 185 0.036 -17.746 12.234 584 3HZ LYS 185 3HZ LYS 185 -1.016 -19.068 12.169 585 H HIS 186 H HIS 186 -2.040 -12.019 14.674 586 HA HIS 186 HA HIS 186 -4.588 -10.784 14.040 587 1HB HIS 186 2HB HIS 186 -3.268 -9.164 12.779 588 2HB HIS 186 1HB HIS 186 -2.586 -9.385 14.392 589 HD1 HIS 186 1HD HIS 186 -0.384 -10.913 14.499 590 HD2 HIS 186 2HD HIS 186 -1.532 -9.626 10.720 591 HE1 HIS 186 1HE HIS 186 1.633 -11.247 13.034 592 HE2 HIS 186 2HE HIS 186 0.940 -10.387 10.770 593 H TRP 187 H TRP 187 -5.324 -10.492 11.848 594 HA TRP 187 HA TRP 187 -4.921 -12.899 10.264 595 1HB TRP 187 2HB TRP 187 -7.111 -11.162 10.761 596 2HB TRP 187 1HB TRP 187 -6.759 -11.071 9.039 597 HD1 TRP 187 HD TRP 187 -6.629 -14.186 11.350 598 HE1 TRP 187 1HE TRP 187 -8.173 -15.982 10.342 599 HE3 TRP 187 3HE TRP 187 -8.515 -11.522 7.414 600 HZ2 TRP 187 2HZ TRP 187 -9.954 -16.237 8.167 601 HZ3 TRP 187 3HZ TRP 187 -10.133 -12.617 5.918 602 HH2 TRP 187 HH TRP 187 -10.837 -14.924 6.287 603 H VAL 188 H VAL 188 -5.525 -11.927 7.720 604 HA VAL 188 HA VAL 188 -2.953 -10.907 6.939 605 HB VAL 188 HB VAL 188 -5.044 -11.026 4.872 606 1HG1 VAL 188 1HG1 VAL 188 -2.752 -10.776 4.256 607 2HG1 VAL 188 2HG1 VAL 188 -3.274 -12.385 3.758 608 3HG1 VAL 188 3HG1 VAL 188 -2.287 -12.187 5.206 609 1HG2 VAL 188 1HG2 VAL 188 -4.482 -13.370 6.636 610 2HG2 VAL 188 2HG2 VAL 188 -4.753 -13.630 4.912 611 3HG2 VAL 188 3HG2 VAL 188 -5.999 -12.857 5.894 612 H TYR 189 H TYR 189 -2.822 -9.101 5.305 613 HA TYR 189 HA TYR 189 -4.647 -6.926 6.090 614 1HB TYR 189 2HB TYR 189 -1.695 -7.014 5.693 615 2HB TYR 189 1HB TYR 189 -2.539 -5.535 5.232 616 HD1 TYR 189 1HD TYR 189 -4.168 -4.563 7.046 617 HD2 TYR 189 2HD TYR 189 -0.992 -7.267 7.887 618 HE1 TYR 189 1HE TYR 189 -4.172 -3.829 9.392 619 HE2 TYR 189 2HE TYR 189 -0.988 -6.540 10.237 620 HH TYR 189 HH TYR 189 -1.693 -4.478 11.529 621 H TYR 190 H TYR 190 -5.517 -8.479 4.068 622 HA TYR 190 HA TYR 190 -4.716 -7.327 1.521 623 1HB TYR 190 2HB TYR 190 -6.711 -9.459 2.299 624 2HB TYR 190 1HB TYR 190 -6.550 -8.868 0.647 625 HD1 TYR 190 1HD TYR 190 -6.034 -11.143 -0.105 626 HD2 TYR 190 2HD TYR 190 -3.546 -9.151 2.716 627 HE1 TYR 190 1HE TYR 190 -4.253 -12.788 -0.515 628 HE2 TYR 190 2HE TYR 190 -1.763 -10.789 2.310 629 HH TYR 190 HH TYR 190 -1.489 -13.042 1.480 630 H THR 191 H THR 191 -5.570 -5.429 0.863 631 HA THR 191 HA THR 191 -8.094 -4.558 2.035 632 HB THR 191 HB THR 191 -6.088 -3.138 0.280 633 HG1 THR 191 1HG THR 191 -5.596 -3.572 2.542 634 1HG2 THR 191 1HG2 THR 191 -8.766 -2.279 1.217 635 2HG2 THR 191 2HG2 THR 191 -7.895 -1.870 -0.262 636 3HG2 THR 191 3HG2 THR 191 -7.448 -1.108 1.265 637 H CYS 192 H CYS 192 -8.922 -6.543 0.670 638 HA CYS 192 HA CYS 192 -9.513 -5.839 -2.098 639 1HB CYS 192 2HB CYS 192 -9.202 -8.144 -2.018 640 2HB CYS 192 1HB CYS 192 -9.916 -8.289 -0.415 641 H CYS 193 H CYS 193 -11.385 -7.087 0.557 642 HA CYS 193 HA CYS 193 -13.597 -5.287 -0.084 643 1HB CYS 193 2HB CYS 193 -14.815 -7.697 0.275 644 2HB CYS 193 1HB CYS 193 -14.341 -7.057 -1.298 645 HA PRO 194 HA PRO 194 -13.220 -6.562 4.530 646 1HB PRO 194 2HB PRO 194 -11.457 -4.873 5.609 647 2HB PRO 194 1HB PRO 194 -10.921 -6.353 4.801 648 1HG PRO 194 2HG PRO 194 -10.994 -3.546 3.751 649 2HG PRO 194 1HG PRO 194 -9.699 -4.751 3.622 650 1HD PRO 194 2HD PRO 194 -11.499 -4.251 1.625 651 2HD PRO 194 1HD PRO 194 -10.698 -5.816 1.858 652 H ASP 195 H ASP 195 -13.032 -3.329 3.103 653 HA ASP 195 HA ASP 195 -14.987 -2.388 5.094 654 1HB ASP 195 2HB ASP 195 -12.774 -1.215 5.053 655 2HB ASP 195 1HB ASP 195 -13.134 -0.696 3.406 656 H THR 196 H THR 196 -15.856 -3.873 2.865 657 HA THR 196 HA THR 196 -17.129 -1.790 1.208 658 HB THR 196 HB THR 196 -15.682 -3.393 -0.014 659 HG1 THR 196 1HG THR 196 -18.458 -3.545 -0.561 660 1HG2 THR 196 1HG2 THR 196 -15.983 -5.637 -0.112 661 2HG2 THR 196 2HG2 THR 196 -17.700 -5.540 0.280 662 3HG2 THR 196 3HG2 THR 196 -16.494 -5.355 1.553 663 HA PRO 197 HA PRO 197 -20.548 -4.480 3.299 664 1HB PRO 197 2HB PRO 197 -20.655 -2.735 5.634 665 2HB PRO 197 1HB PRO 197 -20.580 -4.496 5.573 666 1HG PRO 197 2HG PRO 197 -18.531 -2.938 6.456 667 2HG PRO 197 1HG PRO 197 -18.303 -4.534 5.723 668 1HD PRO 197 2HD PRO 197 -17.906 -1.824 4.534 669 2HD PRO 197 1HD PRO 197 -16.991 -3.324 4.290 670 H TYR 198 H TYR 198 -19.733 -1.791 1.966 671 HA TYR 198 HA TYR 198 -21.832 0.047 2.534 672 1HB TYR 198 2HB TYR 198 -19.470 0.589 1.798 673 2HB TYR 198 1HB TYR 198 -19.903 -0.019 0.201 674 HD1 TYR 198 1HD TYR 198 -21.509 1.212 -1.202 675 HD2 TYR 198 2HD TYR 198 -20.267 2.727 2.574 676 HE1 TYR 198 1HE TYR 198 -22.390 3.426 -1.808 677 HE2 TYR 198 2HE TYR 198 -21.144 4.945 1.980 678 HH TYR 198 HH TYR 198 -21.847 5.893 -1.057 Start of MODEL 12 1 1H ILE 1 1HT ILE 1 -4.829 17.164 -6.973 2 2H ILE 1 2HT ILE 1 -6.456 16.632 -6.842 3 3H ILE 1 3HT ILE 1 -5.620 16.485 -8.333 4 HA ILE 1 HA ILE 1 -5.519 14.395 -7.553 5 HB ILE 1 HB ILE 1 -3.073 15.455 -6.169 6 1HG1 ILE 1 2HG1 ILE 1 -3.202 16.784 -8.178 7 2HG1 ILE 1 1HG1 ILE 1 -1.983 15.537 -8.422 8 1HG2 ILE 1 1HG2 ILE 1 -2.218 13.399 -6.480 9 2HG2 ILE 1 2HG2 ILE 1 -2.916 13.240 -8.092 10 3HG2 ILE 1 3HG2 ILE 1 -3.905 12.926 -6.667 11 1HD1 ILE 1 1HD1 ILE 1 -3.017 15.090 -10.331 12 2HD1 ILE 1 2HD1 ILE 1 -4.420 16.059 -9.884 13 3HD1 ILE 1 3HD1 ILE 1 -4.306 14.379 -9.361 14 H VAL 2 H VAL 2 -6.381 13.134 -6.053 15 HA VAL 2 HA VAL 2 -6.087 13.891 -3.222 16 HB VAL 2 HB VAL 2 -8.619 12.877 -4.529 17 1HG1 VAL 2 1HG1 VAL 2 -9.514 13.313 -2.146 18 2HG1 VAL 2 2HG1 VAL 2 -7.826 13.181 -1.655 19 3HG1 VAL 2 3HG1 VAL 2 -8.621 11.824 -2.451 20 1HG2 VAL 2 1HG2 VAL 2 -8.395 15.206 -4.933 21 2HG2 VAL 2 2HG2 VAL 2 -7.860 15.510 -3.280 22 3HG2 VAL 2 3HG2 VAL 2 -9.529 15.034 -3.594 23 H CYS 3 H CYS 3 -5.659 12.253 -1.825 24 HA CYS 3 HA CYS 3 -4.864 9.737 -3.005 25 1HB CYS 3 2HB CYS 3 -4.410 11.149 -0.441 26 2HB CYS 3 1HB CYS 3 -4.386 9.388 -0.365 27 H HIS 4 H HIS 4 -5.246 7.841 -1.200 28 HA HIS 4 HA HIS 4 -8.019 7.765 -0.349 29 1HB HIS 4 2HB HIS 4 -7.381 5.307 -1.782 30 2HB HIS 4 1HB HIS 4 -8.815 6.327 -1.884 31 HD1 HIS 4 1HD HIS 4 -5.221 6.471 -3.165 32 HD2 HIS 4 2HD HIS 4 -9.096 7.402 -4.340 33 HE1 HIS 4 1HE HIS 4 -5.028 7.314 -5.526 34 HE2 HIS 4 2HE HIS 4 -7.376 7.924 -6.196 35 H THR 5 H THR 5 -8.148 6.773 1.558 36 HA THR 5 HA THR 5 -6.030 5.914 3.051 37 HB THR 5 HB THR 5 -7.920 6.196 4.325 38 HG1 THR 5 1HG THR 5 -7.187 4.303 5.112 39 1HG2 THR 5 1HG2 THR 5 -9.839 6.325 3.208 40 2HG2 THR 5 2HG2 THR 5 -10.003 4.609 3.584 41 3HG2 THR 5 3HG2 THR 5 -9.347 5.112 2.026 42 H THR 6 H THR 6 -8.186 3.822 1.142 43 HA THR 6 HA THR 6 -8.002 1.646 0.477 44 HB THR 6 HB THR 6 -5.093 2.382 0.137 45 HG1 THR 6 1HG THR 6 -7.239 2.797 -1.668 46 1HG2 THR 6 1HG2 THR 6 -6.628 0.084 -0.647 47 2HG2 THR 6 2HG2 THR 6 -4.899 0.390 -0.796 48 3HG2 THR 6 3HG2 THR 6 -6.003 0.939 -2.056 49 H ALA 7 H ALA 7 -7.554 2.126 3.369 50 HA ALA 7 HA ALA 7 -5.469 0.530 4.363 51 1HB ALA 7 1HB ALA 7 -6.478 1.919 5.939 52 2HB ALA 7 2HB ALA 7 -7.047 0.312 6.391 53 3HB ALA 7 3HB ALA 7 -8.105 1.401 5.495 54 H THR 8 H THR 8 -8.914 -0.344 4.426 55 HA THR 8 HA THR 8 -8.217 -3.056 3.546 56 HB THR 8 HB THR 8 -10.121 -3.727 5.262 57 HG1 THR 8 1HG THR 8 -8.953 -1.469 6.515 58 1HG2 THR 8 1HG2 THR 8 -8.116 -3.596 7.085 59 2HG2 THR 8 2HG2 THR 8 -7.224 -3.515 5.566 60 3HG2 THR 8 3HG2 THR 8 -8.310 -4.869 5.881 61 H SER 9 H SER 9 -9.472 -0.644 2.337 62 HA SER 9 HA SER 9 -11.364 -1.796 0.703 63 1HB SER 9 2HB SER 9 -13.329 -0.293 1.872 64 2HB SER 9 1HB SER 9 -13.131 -2.028 2.110 65 HG SER 9 HG SER 9 -12.712 -1.623 4.116 66 HA PRO 10 HA PRO 10 -11.047 1.973 -1.557 67 1HB PRO 10 2HB PRO 10 -13.687 2.820 -1.856 68 2HB PRO 10 1HB PRO 10 -12.846 1.684 -2.914 69 1HG PRO 10 2HG PRO 10 -14.715 1.140 -0.649 70 2HG PRO 10 1HG PRO 10 -14.568 0.309 -2.209 71 1HD PRO 10 2HD PRO 10 -13.577 -0.777 0.015 72 2HD PRO 10 1HD PRO 10 -12.701 -0.904 -1.526 73 H ILE 11 H ILE 11 -14.010 2.932 0.115 74 HA ILE 11 HA ILE 11 -14.488 4.640 1.532 75 HB ILE 11 HB ILE 11 -11.633 4.374 2.469 76 1HG1 ILE 11 2HG1 ILE 11 -12.833 2.214 2.516 77 2HG1 ILE 11 1HG1 ILE 11 -12.476 2.808 4.134 78 1HG2 ILE 11 1HG2 ILE 11 -12.275 6.227 3.588 79 2HG2 ILE 11 2HG2 ILE 11 -13.057 5.052 4.646 80 3HG2 ILE 11 3HG2 ILE 11 -13.993 5.877 3.399 81 1HD1 ILE 11 1HD1 ILE 11 -14.973 2.066 3.023 82 2HD1 ILE 11 2HD1 ILE 11 -15.025 3.786 3.408 83 3HD1 ILE 11 3HD1 ILE 11 -14.609 2.614 4.659 84 H SER 12 H SER 12 -11.046 5.396 1.002 85 HA SER 12 HA SER 12 -10.006 7.200 0.095 86 1HB SER 12 2HB SER 12 -12.443 8.086 -1.379 87 2HB SER 12 1HB SER 12 -10.773 7.973 -1.932 88 HG SER 12 HG SER 12 -11.082 5.646 -1.864 89 H ALA 13 H ALA 13 -11.002 9.743 -0.592 90 HA ALA 13 HA ALA 13 -11.810 11.712 0.252 91 1HB ALA 13 1HB ALA 13 -13.670 10.231 1.218 92 2HB ALA 13 2HB ALA 13 -13.385 11.802 1.968 93 3HB ALA 13 3HB ALA 13 -12.775 10.336 2.735 94 H VAL 14 H VAL 14 -9.473 9.749 1.567 95 HA VAL 14 HA VAL 14 -8.678 10.866 3.944 96 HB VAL 14 HB VAL 14 -6.318 10.354 3.238 97 1HG1 VAL 14 1HG1 VAL 14 -8.438 8.247 2.867 98 2HG1 VAL 14 2HG1 VAL 14 -7.585 8.662 4.354 99 3HG1 VAL 14 3HG1 VAL 14 -6.716 7.900 3.022 100 1HG2 VAL 14 1HG2 VAL 14 -6.168 9.011 1.079 101 2HG2 VAL 14 2HG2 VAL 14 -6.308 10.763 0.922 102 3HG2 VAL 14 3HG2 VAL 14 -7.716 9.738 0.651 103 H THR 15 H THR 15 -7.887 12.008 0.676 104 HA THR 15 HA THR 15 -6.933 13.941 -0.081 105 HB THR 15 HB THR 15 -8.071 16.000 0.972 106 HG1 THR 15 1HG THR 15 -9.666 13.975 2.144 107 1HG2 THR 15 1HG2 THR 15 -9.770 13.815 -0.204 108 2HG2 THR 15 2HG2 THR 15 -8.874 15.042 -1.099 109 3HG2 THR 15 3HG2 THR 15 -10.225 15.514 -0.069 110 H CYS 16 H CYS 16 -4.827 14.084 0.347 111 HA CYS 16 HA CYS 16 -3.917 14.849 3.010 112 1HB CYS 16 2HB CYS 16 -2.748 13.502 0.693 113 2HB CYS 16 1HB CYS 16 -1.669 14.706 1.398 114 HA PRO 17 HA PRO 17 -2.927 19.113 2.626 115 1HB PRO 17 2HB PRO 17 -0.095 18.917 2.181 116 2HB PRO 17 1HB PRO 17 -0.942 19.362 3.662 117 1HG PRO 17 2HG PRO 17 0.195 16.763 2.856 118 2HG PRO 17 1HG PRO 17 -0.142 17.392 4.478 119 1HD PRO 17 2HD PRO 17 -1.622 15.440 3.368 120 2HD PRO 17 1HD PRO 17 -2.338 16.663 4.438 121 HA PRO 18 HA PRO 18 -2.988 20.056 -1.687 122 1HB PRO 18 2HB PRO 18 -1.975 22.631 -1.575 123 2HB PRO 18 1HB PRO 18 -3.661 22.192 -1.291 124 1HG PRO 18 2HG PRO 18 -1.484 22.728 0.678 125 2HG PRO 18 1HG PRO 18 -3.197 23.181 0.747 126 1HD PRO 18 2HD PRO 18 -2.231 21.123 2.171 127 2HD PRO 18 1HD PRO 18 -3.854 21.074 1.451 128 H GLY 19 H GLY 19 -0.128 21.618 -0.244 129 1HA GLY 19 2HA GLY 19 1.494 21.448 -2.510 130 2HA GLY 19 1HA GLY 19 2.080 21.632 -0.862 131 H GLU 20 H GLU 20 3.802 20.289 -0.931 132 HA GLU 20 HA GLU 20 3.975 17.830 -2.218 133 1HB GLU 20 2HB GLU 20 5.601 19.407 -0.525 134 2HB GLU 20 1HB GLU 20 5.562 17.793 0.173 135 1HG GLU 20 2HG GLU 20 7.433 18.007 -1.330 136 2HG GLU 20 1HG GLU 20 6.266 16.856 -1.979 137 H ASN 21 H ASN 21 4.846 15.996 -0.300 138 HA ASN 21 HA ASN 21 4.155 14.408 1.182 139 1HB ASN 21 2HB ASN 21 1.757 16.137 1.811 140 2HB ASN 21 1HB ASN 21 2.462 14.864 2.808 141 1HD2 ASN 21 1HD2 ASN 21 3.879 15.426 4.301 142 2HD2 ASN 21 2HD2 ASN 21 4.651 16.965 4.430 143 H LEU 22 H LEU 22 3.812 13.431 -1.022 144 HA LEU 22 HA LEU 22 1.047 13.103 -1.826 145 1HB LEU 22 2HB LEU 22 3.704 12.333 -2.938 146 2HB LEU 22 1HB LEU 22 2.287 11.450 -3.472 147 HG LEU 22 HG LEU 22 3.006 13.383 -4.936 148 1HD1 LEU 22 1HD1 LEU 22 0.863 12.539 -5.326 149 2HD1 LEU 22 2HD1 LEU 22 0.615 14.271 -5.100 150 3HD1 LEU 22 3HD1 LEU 22 0.247 13.149 -3.791 151 1HD2 LEU 22 1HD2 LEU 22 1.624 15.218 -3.057 152 2HD2 LEU 22 2HD2 LEU 22 2.871 15.553 -4.258 153 3HD2 LEU 22 3HD2 LEU 22 3.305 14.807 -2.720 154 H CYS 23 H CYS 23 0.572 10.662 -2.540 155 HA CYS 23 HA CYS 23 0.043 9.247 -0.220 156 1HB CYS 23 2HB CYS 23 -0.178 8.750 -3.088 157 2HB CYS 23 1HB CYS 23 0.077 7.279 -2.149 158 H TYR 24 H TYR 24 0.732 6.895 0.119 159 HA TYR 24 HA TYR 24 3.659 6.769 0.133 160 1HB TYR 24 2HB TYR 24 1.728 6.473 2.177 161 2HB TYR 24 1HB TYR 24 2.395 4.877 1.903 162 HD1 TYR 24 1HD TYR 24 2.969 5.315 4.377 163 HD2 TYR 24 2HD TYR 24 4.830 7.355 1.142 164 HE1 TYR 24 1HE TYR 24 4.884 5.856 5.827 165 HE2 TYR 24 2HE TYR 24 6.751 7.894 2.579 166 HH TYR 24 HH TYR 24 7.265 8.126 4.957 167 H ARG 25 H ARG 25 3.873 4.060 0.839 168 HA ARG 25 HA ARG 25 2.443 2.393 -0.971 169 1HB ARG 25 2HB ARG 25 4.642 3.777 -2.067 170 2HB ARG 25 1HB ARG 25 5.186 2.124 -1.828 171 1HG ARG 25 2HG ARG 25 2.597 2.010 -2.962 172 2HG ARG 25 1HG ARG 25 3.538 3.183 -3.884 173 1HD ARG 25 2HD ARG 25 4.724 0.529 -3.180 174 2HD ARG 25 1HD ARG 25 3.604 0.662 -4.535 175 HE ARG 25 HE ARG 25 6.314 1.609 -4.426 176 1HH1 ARG 25 1HH1 ARG 25 3.204 2.020 -5.953 177 2HH1 ARG 25 2HH1 ARG 25 3.863 2.721 -7.392 178 1HH2 ARG 25 1HH2 ARG 25 7.184 2.530 -6.320 179 2HH2 ARG 25 2HH2 ARG 25 6.122 3.008 -7.603 180 H LYS 26 H LYS 26 2.341 1.652 1.359 181 HA LYS 26 HA LYS 26 4.691 0.147 2.227 182 1HB LYS 26 2HB LYS 26 3.542 1.499 3.895 183 2HB LYS 26 1HB LYS 26 2.035 0.660 3.561 184 1HG LYS 26 2HG LYS 26 3.228 -0.045 5.645 185 2HG LYS 26 1HG LYS 26 2.822 -1.343 4.528 186 1HD LYS 26 2HD LYS 26 5.187 -1.083 3.619 187 2HD LYS 26 1HD LYS 26 5.507 -0.094 5.045 188 1HE LYS 26 2HE LYS 26 4.780 -3.002 4.896 189 2HE LYS 26 1HE LYS 26 6.195 -2.259 5.637 190 1HZ LYS 26 1HZ LYS 26 4.728 -1.274 7.310 191 2HZ LYS 26 2HZ LYS 26 4.640 -2.963 7.321 192 3HZ LYS 26 3HZ LYS 26 3.398 -2.057 6.615 193 H MET 27 H MET 27 4.091 -1.149 0.129 194 HA MET 27 HA MET 27 2.027 -3.146 0.710 195 1HB MET 27 2HB MET 27 2.236 -1.991 -1.556 196 2HB MET 27 1HB MET 27 3.713 -2.911 -1.801 197 1HG MET 27 2HG MET 27 2.559 -4.953 -1.855 198 2HG MET 27 1HG MET 27 1.096 -4.233 -1.187 199 1HE MET 27 1HE MET 27 1.631 -5.222 -5.371 200 2HE MET 27 2HE MET 27 1.042 -6.094 -3.956 201 3HE MET 27 3HE MET 27 2.735 -5.609 -4.053 202 H TRP 28 H TRP 28 3.107 -4.393 2.309 203 HA TRP 28 HA TRP 28 5.654 -5.215 2.553 204 1HB TRP 28 2HB TRP 28 3.637 -5.819 4.000 205 2HB TRP 28 1HB TRP 28 3.438 -7.212 2.947 206 HD1 TRP 28 HD TRP 28 4.349 -9.262 4.179 207 HE1 TRP 28 1HE TRP 28 6.437 -9.791 5.591 208 HE3 TRP 28 3HE TRP 28 6.476 -4.614 4.260 209 HZ2 TRP 28 2HZ TRP 28 8.688 -8.417 6.604 210 HZ3 TRP 28 3HZ TRP 28 8.594 -4.306 5.469 211 HH2 TRP 28 HH TRP 28 9.676 -6.169 6.617 212 H CYS 29 H CYS 29 3.584 -7.824 1.327 213 HA CYS 29 HA CYS 29 3.838 -9.289 -0.405 214 1HB CYS 29 2HB CYS 29 4.334 -7.157 -1.725 215 2HB CYS 29 1HB CYS 29 6.042 -7.531 -1.492 216 H ASP 30 H ASP 30 5.243 -11.029 -1.027 217 HA ASP 30 HA ASP 30 7.664 -11.219 0.643 218 1HB ASP 30 2HB ASP 30 5.373 -12.756 0.877 219 2HB ASP 30 1HB ASP 30 6.458 -13.783 -0.056 220 H ALA 31 H ALA 31 9.391 -11.137 -0.606 221 HA ALA 31 HA ALA 31 10.858 -11.480 -2.305 222 1HB ALA 31 1HB ALA 31 9.407 -14.028 -2.023 223 2HB ALA 31 2HB ALA 31 11.138 -13.693 -1.982 224 3HB ALA 31 3HB ALA 31 10.301 -13.815 -3.528 225 H PHE 32 H PHE 32 8.300 -13.238 -3.977 226 HA PHE 32 HA PHE 32 8.338 -11.150 -6.046 227 1HB PHE 32 2HB PHE 32 7.329 -13.070 -7.464 228 2HB PHE 32 1HB PHE 32 9.047 -13.113 -7.088 229 HD1 PHE 32 1HD PHE 32 9.914 -14.690 -5.422 230 HD2 PHE 32 2HD PHE 32 5.824 -14.707 -6.599 231 HE1 PHE 32 1HE PHE 32 9.648 -16.938 -4.455 232 HE2 PHE 32 2HE PHE 32 5.551 -16.953 -5.633 233 HZ PHE 32 HZ PHE 32 7.465 -18.072 -4.559 234 H CYS 33 H CYS 33 6.534 -10.070 -6.537 235 HA CYS 33 HA CYS 33 4.154 -10.599 -4.972 236 1HB CYS 33 2HB CYS 33 5.333 -8.309 -6.301 237 2HB CYS 33 1HB CYS 33 3.626 -8.462 -6.701 238 H SER 34 H SER 34 2.154 -9.675 -6.649 239 HA SER 34 HA SER 34 0.759 -10.245 -8.370 240 1HB SER 34 2HB SER 34 3.276 -10.700 -9.495 241 2HB SER 34 1HB SER 34 2.395 -12.203 -9.766 242 HG SER 34 HG SER 34 1.550 -9.590 -10.486 243 H SER 35 H SER 35 -0.720 -11.357 -7.208 244 HA SER 35 HA SER 35 -1.914 -13.110 -6.399 245 1HB SER 35 2HB SER 35 -2.000 -15.028 -7.694 246 2HB SER 35 1HB SER 35 -1.248 -13.905 -8.826 247 HG SER 35 HG SER 35 0.805 -14.775 -7.909 248 H ARG 36 H ARG 36 0.483 -12.231 -5.029 249 HA ARG 36 HA ARG 36 1.549 -14.694 -3.879 250 1HB ARG 36 2HB ARG 36 3.174 -12.992 -4.504 251 2HB ARG 36 1HB ARG 36 2.367 -11.810 -3.485 252 1HG ARG 36 2HG ARG 36 4.080 -12.426 -2.114 253 2HG ARG 36 1HG ARG 36 2.852 -13.586 -1.605 254 1HD ARG 36 2HD ARG 36 3.937 -15.007 -3.569 255 2HD ARG 36 1HD ARG 36 5.332 -14.004 -3.180 256 HE ARG 36 HE ARG 36 5.551 -15.120 -1.181 257 1HH1 ARG 36 1HH1 ARG 36 2.490 -15.949 -2.641 258 2HH1 ARG 36 2HH1 ARG 36 2.168 -17.236 -1.529 259 1HH2 ARG 36 1HH2 ARG 36 5.126 -16.811 0.284 260 2HH2 ARG 36 2HH2 ARG 36 3.662 -17.725 0.131 261 H GLY 37 H GLY 37 1.034 -11.638 -2.145 262 1HA GLY 37 2HA GLY 37 -0.707 -13.137 -0.284 263 2HA GLY 37 1HA GLY 37 0.525 -12.017 0.269 264 H LYS 38 H LYS 38 -0.420 -10.330 -2.229 265 HA LYS 38 HA LYS 38 -1.769 -8.519 -2.527 266 1HB LYS 38 2HB LYS 38 -3.767 -10.149 -0.949 267 2HB LYS 38 1HB LYS 38 -4.135 -8.760 -1.961 268 1HG LYS 38 2HG LYS 38 -4.683 -10.473 -3.366 269 2HG LYS 38 1HG LYS 38 -3.003 -10.195 -3.830 270 1HD LYS 38 2HD LYS 38 -2.368 -12.223 -3.125 271 2HD LYS 38 1HD LYS 38 -3.264 -12.066 -1.613 272 1HE LYS 38 2HE LYS 38 -5.298 -12.383 -3.365 273 2HE LYS 38 1HE LYS 38 -4.040 -13.330 -4.159 274 1HZ LYS 38 1HZ LYS 38 -5.627 -14.344 -2.324 275 2HZ LYS 38 2HZ LYS 38 -4.417 -13.756 -1.298 276 3HZ LYS 38 3HZ LYS 38 -4.029 -14.865 -2.516 277 H VAL 39 H VAL 39 -0.013 -7.897 -0.772 278 HA VAL 39 HA VAL 39 -1.111 -7.223 1.800 279 HB VAL 39 HB VAL 39 1.305 -7.869 1.385 280 1HG1 VAL 39 1HG1 VAL 39 1.576 -5.009 0.509 281 2HG1 VAL 39 2HG1 VAL 39 1.531 -6.372 -0.606 282 3HG1 VAL 39 3HG1 VAL 39 2.828 -6.241 0.572 283 1HG2 VAL 39 1HG2 VAL 39 0.221 -5.787 3.104 284 2HG2 VAL 39 2HG2 VAL 39 1.949 -5.615 2.833 285 3HG2 VAL 39 3HG2 VAL 39 1.309 -7.119 3.489 286 H VAL 40 H VAL 40 -1.538 -5.178 2.616 287 HA VAL 40 HA VAL 40 -2.318 -3.263 0.616 288 HB VAL 40 HB VAL 40 -3.453 -2.068 2.310 289 1HG1 VAL 40 1HG1 VAL 40 -4.075 -4.403 3.780 290 2HG1 VAL 40 2HG1 VAL 40 -3.742 -4.893 2.121 291 3HG1 VAL 40 3HG1 VAL 40 -4.973 -3.676 2.448 292 1HG2 VAL 40 1HG2 VAL 40 -2.123 -1.641 4.096 293 2HG2 VAL 40 2HG2 VAL 40 -1.405 -3.253 4.085 294 3HG2 VAL 40 3HG2 VAL 40 -3.007 -3.005 4.783 295 H GLU 41 H GLU 41 -1.904 -0.961 0.874 296 HA GLU 41 HA GLU 41 0.626 -0.197 2.053 297 1HB GLU 41 2HB GLU 41 1.514 0.630 -0.130 298 2HB GLU 41 1HB GLU 41 1.374 -1.117 -0.053 299 1HG GLU 41 2HG GLU 41 -0.209 -1.207 -1.649 300 2HG GLU 41 1HG GLU 41 -0.945 0.319 -1.162 301 H LEU 42 H LEU 42 0.806 2.191 0.337 302 HA LEU 42 HA LEU 42 0.007 4.309 0.184 303 1HB LEU 42 2HB LEU 42 -2.693 3.055 0.678 304 2HB LEU 42 1HB LEU 42 -2.403 4.674 0.072 305 HG LEU 42 HG LEU 42 -1.506 2.198 -1.391 306 1HD1 LEU 42 1HD1 LEU 42 -3.558 3.078 -2.864 307 2HD1 LEU 42 2HD1 LEU 42 -4.150 3.509 -1.259 308 3HD1 LEU 42 3HD1 LEU 42 -3.726 1.837 -1.623 309 1HD2 LEU 42 1HD2 LEU 42 -0.641 4.696 -1.726 310 2HD2 LEU 42 2HD2 LEU 42 -2.097 4.774 -2.718 311 3HD2 LEU 42 3HD2 LEU 42 -0.854 3.573 -3.068 312 H GLY 43 H GLY 43 -0.068 5.985 1.548 313 1HA GLY 43 2HA GLY 43 -1.506 6.159 3.936 314 2HA GLY 43 1HA GLY 43 0.090 5.541 4.336 315 H CYS 44 H CYS 44 0.072 7.654 1.631 316 HA CYS 44 HA CYS 44 0.874 9.747 1.308 317 1HB CYS 44 2HB CYS 44 -0.760 9.966 3.753 318 2HB CYS 44 1HB CYS 44 0.404 11.269 3.506 319 H ALA 45 H ALA 45 2.659 11.084 1.715 320 HA ALA 45 HA ALA 45 4.433 10.248 3.904 321 1HB ALA 45 1HB ALA 45 5.702 10.864 1.306 322 2HB ALA 45 2HB ALA 45 4.862 9.321 1.438 323 3HB ALA 45 3HB ALA 45 6.171 9.712 2.554 324 H ALA 46 H ALA 46 6.594 11.795 3.343 325 HA ALA 46 HA ALA 46 5.517 14.533 3.499 326 1HB ALA 46 1HB ALA 46 6.427 13.850 5.622 327 2HB ALA 46 2HB ALA 46 7.491 15.058 4.901 328 3HB ALA 46 3HB ALA 46 7.937 13.353 4.857 329 H THR 47 H THR 47 7.885 12.423 2.060 330 HA THR 47 HA THR 47 8.409 14.342 -0.011 331 HB THR 47 HB THR 47 10.029 15.203 1.484 332 HG1 THR 47 1HG THR 47 10.797 14.594 -0.675 333 1HG2 THR 47 1HG2 THR 47 10.600 13.953 3.230 334 2HG2 THR 47 2HG2 THR 47 11.847 13.293 2.171 335 3HG2 THR 47 3HG2 THR 47 10.314 12.443 2.364 336 H CYS 48 H CYS 48 11.097 12.372 0.127 337 HA CYS 48 HA CYS 48 10.142 9.852 -0.631 338 1HB CYS 48 2HB CYS 48 9.381 11.477 -2.570 339 2HB CYS 48 1HB CYS 48 11.053 11.290 -3.089 340 HA PRO 49 HA PRO 49 14.746 10.357 -0.125 341 1HB PRO 49 2HB PRO 49 15.030 9.140 2.248 342 2HB PRO 49 1HB PRO 49 14.562 10.841 2.138 343 1HG PRO 49 2HG PRO 49 12.856 8.435 2.638 344 2HG PRO 49 1HG PRO 49 12.795 10.030 3.409 345 1HD PRO 49 2HD PRO 49 11.118 9.226 1.382 346 2HD PRO 49 1HD PRO 49 11.516 10.919 1.732 347 H SER 50 H SER 50 12.617 8.175 -0.991 348 HA SER 50 HA SER 50 13.640 5.649 -0.415 349 1HB SER 50 2HB SER 50 11.421 5.915 -1.308 350 2HB SER 50 1HB SER 50 12.047 6.688 -2.763 351 HG SER 50 HG SER 50 12.662 4.026 -1.996 352 H LYS 51 H LYS 51 15.210 4.419 -1.275 353 HA LYS 51 HA LYS 51 16.318 4.485 -3.784 354 1HB LYS 51 2HB LYS 51 18.524 5.657 -3.291 355 2HB LYS 51 1HB LYS 51 17.126 6.695 -3.535 356 1HG LYS 51 2HG LYS 51 16.901 6.725 -1.005 357 2HG LYS 51 1HG LYS 51 18.515 6.014 -0.966 358 1HD LYS 51 2HD LYS 51 19.511 7.948 -1.533 359 2HD LYS 51 1HD LYS 51 18.268 8.351 -2.719 360 1HE LYS 51 2HE LYS 51 16.775 9.027 -0.870 361 2HE LYS 51 1HE LYS 51 18.081 8.704 0.271 362 1HZ LYS 51 1HZ LYS 51 18.132 10.717 -1.914 363 2HZ LYS 51 2HZ LYS 51 19.411 10.393 -0.858 364 3HZ LYS 51 3HZ LYS 51 17.970 11.045 -0.261 365 H LYS 52 H LYS 52 15.718 2.553 -1.921 366 HA LYS 52 HA LYS 52 18.287 1.219 -1.684 367 1HB LYS 52 2HB LYS 52 17.196 0.546 0.751 368 2HB LYS 52 1HB LYS 52 18.497 1.699 0.500 369 1HG LYS 52 2HG LYS 52 17.101 3.529 0.741 370 2HG LYS 52 1HG LYS 52 15.648 2.595 0.380 371 1HD LYS 52 2HD LYS 52 15.317 2.414 2.575 372 2HD LYS 52 1HD LYS 52 16.749 1.385 2.643 373 1HE LYS 52 2HE LYS 52 17.222 4.302 2.610 374 2HE LYS 52 1HE LYS 52 16.480 3.645 4.067 375 1HZ LYS 52 1HZ LYS 52 19.017 3.753 3.941 376 2HZ LYS 52 2HZ LYS 52 18.900 2.412 2.916 377 3HZ LYS 52 3HZ LYS 52 18.314 2.318 4.499 378 HA PRO 53 HA PRO 53 16.144 -2.478 -2.684 379 1HB PRO 53 2HB PRO 53 17.182 -3.847 -0.274 380 2HB PRO 53 1HB PRO 53 17.403 -4.247 -1.978 381 1HG PRO 53 2HG PRO 53 19.394 -3.202 -0.530 382 2HG PRO 53 1HG PRO 53 19.166 -2.774 -2.235 383 1HD PRO 53 2HD PRO 53 18.470 -1.215 0.222 384 2HD PRO 53 1HD PRO 53 19.131 -0.647 -1.326 385 H TYR 54 H TYR 54 16.191 -2.705 0.880 386 HA TYR 54 HA TYR 54 13.487 -3.635 0.980 387 1HB TYR 54 2HB TYR 54 14.218 -2.613 3.528 388 2HB TYR 54 1HB TYR 54 14.219 -4.296 2.997 389 HD1 TYR 54 1HD TYR 54 16.257 -5.354 2.226 390 HD2 TYR 54 2HD TYR 54 16.252 -1.323 3.563 391 HE1 TYR 54 1HE TYR 54 18.703 -5.382 2.283 392 HE2 TYR 54 2HE TYR 54 18.697 -1.332 3.638 393 HH TYR 54 HH TYR 54 20.574 -2.546 2.667 394 H GLU 55 H GLU 55 11.991 -2.254 0.172 395 HA GLU 55 HA GLU 55 11.913 0.466 1.286 396 1HB GLU 55 2HB GLU 55 10.849 -0.658 -1.297 397 2HB GLU 55 1HB GLU 55 10.403 0.930 -0.696 398 1HG GLU 55 2HG GLU 55 13.105 -0.030 -1.581 399 2HG GLU 55 1HG GLU 55 12.133 1.276 -2.255 400 H GLU 56 H GLU 56 9.065 -0.541 -0.333 401 HA GLU 56 HA GLU 56 6.947 -0.917 0.377 402 1HB GLU 56 2HB GLU 56 8.646 -2.468 2.236 403 2HB GLU 56 1HB GLU 56 6.990 -2.185 2.755 404 1HG GLU 56 2HG GLU 56 6.292 -3.827 1.456 405 2HG GLU 56 1HG GLU 56 6.930 -2.997 0.040 406 H VAL 57 H VAL 57 7.269 1.535 0.655 407 HA VAL 57 HA VAL 57 5.710 2.554 2.635 408 HB VAL 57 HB VAL 57 8.439 2.063 3.629 409 1HG1 VAL 57 1HG1 VAL 57 8.322 4.131 5.106 410 2HG1 VAL 57 2HG1 VAL 57 7.157 4.764 3.944 411 3HG1 VAL 57 3HG1 VAL 57 8.799 4.382 3.426 412 1HG2 VAL 57 1HG2 VAL 57 5.731 1.847 4.520 413 2HG2 VAL 57 2HG2 VAL 57 6.648 2.809 5.681 414 3HG2 VAL 57 3HG2 VAL 57 7.195 1.188 5.249 415 H THR 58 H THR 58 8.538 2.969 0.672 416 HA THR 58 HA THR 58 9.137 5.543 0.471 417 HB THR 58 HB THR 58 9.508 5.280 -1.931 418 HG1 THR 58 1HG THR 58 8.775 3.340 -2.927 419 1HG2 THR 58 1HG2 THR 58 10.808 3.202 -1.951 420 2HG2 THR 58 2HG2 THR 58 10.091 2.757 -0.404 421 3HG2 THR 58 3HG2 THR 58 11.121 4.180 -0.519 422 H CYS 59 H CYS 59 8.510 7.349 -0.850 423 HA CYS 59 HA CYS 59 5.944 8.245 -0.426 424 1HB CYS 59 2HB CYS 59 6.519 10.143 -1.645 425 2HB CYS 59 1HB CYS 59 8.084 9.524 -1.124 426 H CYS 60 H CYS 60 4.765 9.252 -2.580 427 HA CYS 60 HA CYS 60 4.413 7.371 -4.709 428 1HB CYS 60 2HB CYS 60 3.072 6.618 -2.496 429 2HB CYS 60 1HB CYS 60 1.884 7.715 -3.188 430 H SER 61 H SER 61 5.052 9.605 -5.497 431 HA SER 61 HA SER 61 2.906 11.558 -5.517 432 1HB SER 61 2HB SER 61 4.455 13.097 -6.335 433 2HB SER 61 1HB SER 61 5.457 12.040 -5.336 434 HG SER 61 HG SER 61 5.942 12.618 -7.767 435 H THR 62 H THR 62 1.488 11.850 -7.056 436 HA THR 62 HA THR 62 1.370 11.999 -9.631 437 HB THR 62 HB THR 62 2.712 10.007 -10.052 438 HG1 THR 62 1HG THR 62 1.518 9.692 -11.718 439 1HG2 THR 62 1HG2 THR 62 0.640 8.106 -9.182 440 2HG2 THR 62 2HG2 THR 62 1.611 8.844 -7.908 441 3HG2 THR 62 3HG2 THR 62 2.397 7.947 -9.208 442 H ASP 63 H ASP 63 -0.619 9.725 -10.210 443 HA ASP 63 HA ASP 63 -2.890 11.037 -9.039 444 1HB ASP 63 2HB ASP 63 -2.844 8.408 -10.538 445 2HB ASP 63 1HB ASP 63 -4.229 9.465 -10.290 446 H LYS 64 H LYS 64 -1.547 10.432 -6.917 447 HA LYS 64 HA LYS 64 -1.262 9.168 -5.048 448 1HB LYS 64 2HB LYS 64 -4.255 9.039 -5.331 449 2HB LYS 64 1HB LYS 64 -3.325 8.999 -3.837 450 1HG LYS 64 2HG LYS 64 -3.907 11.296 -5.647 451 2HG LYS 64 1HG LYS 64 -4.049 11.181 -3.902 452 1HD LYS 64 2HD LYS 64 -1.477 10.973 -3.923 453 2HD LYS 64 1HD LYS 64 -1.600 11.629 -5.554 454 1HE LYS 64 2HE LYS 64 -1.590 13.646 -4.604 455 2HE LYS 64 1HE LYS 64 -3.234 13.289 -4.076 456 1HZ LYS 64 1HZ LYS 64 -1.043 12.307 -2.412 457 2HZ LYS 64 2HZ LYS 64 -2.565 12.890 -1.962 458 3HZ LYS 64 3HZ LYS 64 -1.341 13.973 -2.394 459 H CYS 65 H CYS 65 -0.671 7.517 -7.098 460 HA CYS 65 HA CYS 65 -0.504 5.358 -7.768 461 1HB CYS 65 2HB CYS 65 -1.154 4.063 -5.268 462 2HB CYS 65 1HB CYS 65 0.394 4.198 -6.087 463 H ASN 66 H ASN 66 -2.935 4.623 -5.276 464 HA ASN 66 HA ASN 66 -4.904 3.488 -5.411 465 1HB ASN 66 2HB ASN 66 -5.192 5.798 -6.810 466 2HB ASN 66 1HB ASN 66 -5.617 4.619 -8.047 467 1HD2 ASN 66 1HD2 ASN 66 -6.160 4.635 -4.545 468 2HD2 ASN 66 2HD2 ASN 66 -7.880 4.512 -4.637 469 HA PRO 67 HA PRO 67 -3.455 0.548 -8.719 470 1HB PRO 67 2HB PRO 67 -1.745 -1.015 -7.423 471 2HB PRO 67 1HB PRO 67 -1.250 0.588 -7.979 472 1HG PRO 67 2HG PRO 67 -1.950 -0.332 -5.233 473 2HG PRO 67 1HG PRO 67 -0.744 0.859 -5.747 474 1HD PRO 67 2HD PRO 67 -3.349 1.396 -4.795 475 2HD PRO 67 1HD PRO 67 -2.239 2.549 -5.557 476 H HIS 68 H HIS 68 -5.530 0.498 -6.326 477 HA HIS 68 HA HIS 68 -7.094 -0.961 -5.541 478 1HB HIS 68 2HB HIS 68 -6.106 -2.600 -7.883 479 2HB HIS 68 1HB HIS 68 -7.519 -3.014 -6.918 480 HD1 HIS 68 1HD HIS 68 -6.282 -0.407 -9.346 481 HD2 HIS 68 2HD HIS 68 -9.826 -1.649 -7.566 482 HE1 HIS 68 1HE HIS 68 -8.107 0.859 -10.525 483 HE2 HIS 68 2HE HIS 68 -10.233 0.159 -9.368 484 HA PRO 69 HA PRO 69 -5.042 -3.707 -2.767 485 1HB PRO 69 2HB PRO 69 -6.975 -5.492 -2.136 486 2HB PRO 69 1HB PRO 69 -7.015 -3.814 -1.584 487 1HG PRO 69 2HG PRO 69 -8.459 -5.092 -3.870 488 2HG PRO 69 1HG PRO 69 -9.064 -3.936 -2.670 489 1HD PRO 69 2HD PRO 69 -8.319 -3.199 -5.174 490 2HD PRO 69 1HD PRO 69 -8.158 -2.126 -3.769 491 H LYS 70 H LYS 70 -3.931 -4.343 -5.003 492 HA LYS 70 HA LYS 70 -3.043 -5.950 -6.342 493 1HB LYS 70 2HB LYS 70 -3.355 -7.194 -3.666 494 2HB LYS 70 1HB LYS 70 -2.977 -8.276 -4.998 495 1HG LYS 70 2HG LYS 70 -1.364 -5.924 -4.043 496 2HG LYS 70 1HG LYS 70 -0.933 -7.631 -3.954 497 1HD LYS 70 2HD LYS 70 -1.114 -5.884 -6.399 498 2HD LYS 70 1HD LYS 70 0.298 -6.726 -5.762 499 1HE LYS 70 2HE LYS 70 -2.152 -7.982 -6.992 500 2HE LYS 70 1HE LYS 70 -0.542 -7.892 -7.705 501 1HZ LYS 70 1HZ LYS 70 -0.496 -9.106 -5.121 502 2HZ LYS 70 2HZ LYS 70 0.093 -9.691 -6.591 503 3HZ LYS 70 3HZ LYS 70 -1.528 -9.933 -6.174 504 H GLN 71 H GLN 71 -5.094 -8.305 -4.706 505 HA GLN 71 HA GLN 71 -6.602 -9.798 -5.497 506 1HB GLN 71 2HB GLN 71 -8.035 -7.878 -5.381 507 2HB GLN 71 1HB GLN 71 -7.469 -7.298 -6.940 508 1HG GLN 71 2HG GLN 71 -9.722 -8.336 -6.991 509 2HG GLN 71 1HG GLN 71 -8.558 -9.089 -8.082 510 1HE2 GLN 71 1HE2 GLN 71 -8.871 -9.495 -4.595 511 2HE2 GLN 71 2HE2 GLN 71 -9.241 -11.182 -4.641 512 H ARG 72 H ARG 72 -6.437 -7.912 -8.495 513 HA ARG 72 HA ARG 72 -6.496 -9.949 -10.289 514 1HB ARG 72 2HB ARG 72 -5.358 -7.214 -10.333 515 2HB ARG 72 1HB ARG 72 -4.849 -8.294 -11.623 516 1HG ARG 72 2HG ARG 72 -6.777 -6.929 -12.258 517 2HG ARG 72 1HG ARG 72 -7.149 -8.653 -12.278 518 1HD ARG 72 2HD ARG 72 -8.952 -7.319 -11.269 519 2HD ARG 72 1HD ARG 72 -8.255 -8.473 -10.132 520 HE ARG 72 HE ARG 72 -6.929 -6.029 -9.832 521 1HH1 ARG 72 1HH1 ARG 72 -10.092 -7.406 -9.303 522 2HH1 ARG 72 2HH1 ARG 72 -10.474 -6.342 -7.993 523 1HH2 ARG 72 1HH2 ARG 72 -7.430 -4.628 -8.107 524 2HH2 ARG 72 2HH2 ARG 72 -8.963 -4.764 -7.312 525 HA PRO 73 HA PRO 73 -2.758 -12.230 -9.145 526 1HB PRO 73 2HB PRO 73 -3.560 -13.748 -11.569 527 2HB PRO 73 1HB PRO 73 -3.182 -14.335 -9.946 528 1HG PRO 73 2HG PRO 73 -5.700 -14.254 -10.815 529 2HG PRO 73 1HG PRO 73 -5.299 -13.855 -9.134 530 1HD PRO 73 2HD PRO 73 -5.967 -12.034 -11.409 531 2HD PRO 73 1HD PRO 73 -6.416 -11.912 -9.696 532 H GLY 74 H GLY 74 -1.230 -13.473 -11.062 533 1HA GLY 74 2HA GLY 74 -0.610 -12.246 -13.416 534 2HA GLY 74 1HA GLY 74 0.154 -11.224 -12.203 535 1H TYR 181 1HT TYR 181 -3.921 -21.323 23.409 536 2H TYR 181 2HT TYR 181 -4.792 -20.266 22.375 537 3H TYR 181 3HT TYR 181 -4.551 -19.852 24.023 538 HA TYR 181 HA TYR 181 -2.295 -19.516 23.726 539 1HB TYR 181 2HB TYR 181 -1.381 -19.913 21.331 540 2HB TYR 181 1HB TYR 181 -1.615 -21.307 22.380 541 HD1 TYR 181 1HD TYR 181 -3.087 -23.055 21.763 542 HD2 TYR 181 2HD TYR 181 -3.100 -19.412 19.566 543 HE1 TYR 181 1HE TYR 181 -4.509 -24.100 20.049 544 HE2 TYR 181 2HE TYR 181 -4.520 -20.446 17.847 545 HH TYR 181 HH TYR 181 -6.203 -23.239 18.285 546 H ARG 182 H ARG 182 -1.208 -17.987 21.901 547 HA ARG 182 HA ARG 182 -2.965 -15.720 21.761 548 1HB ARG 182 2HB ARG 182 -1.010 -14.564 20.783 549 2HB ARG 182 1HB ARG 182 -0.628 -15.375 22.296 550 1HG ARG 182 2HG ARG 182 -0.160 -17.076 19.994 551 2HG ARG 182 1HG ARG 182 0.764 -15.575 19.923 552 1HD ARG 182 2HD ARG 182 1.642 -16.011 22.165 553 2HD ARG 182 1HD ARG 182 0.713 -17.509 22.238 554 HE ARG 182 HE ARG 182 3.216 -17.111 20.942 555 1HH1 ARG 182 1HH1 ARG 182 0.224 -18.896 20.727 556 2HH1 ARG 182 2HH1 ARG 182 0.929 -20.215 19.855 557 1HH2 ARG 182 1HH2 ARG 182 4.143 -18.844 19.793 558 2HH2 ARG 182 2HH2 ARG 182 3.155 -20.187 19.326 559 H GLY 183 H GLY 183 -4.588 -16.636 20.344 560 1HA GLY 183 2HA GLY 183 -3.760 -16.958 17.545 561 2HA GLY 183 1HA GLY 183 -5.302 -17.457 18.226 562 H TRP 184 H TRP 184 -3.839 -14.321 18.788 563 HA TRP 184 HA TRP 184 -6.055 -13.096 17.283 564 1HB TRP 184 2HB TRP 184 -4.498 -11.564 19.327 565 2HB TRP 184 1HB TRP 184 -6.181 -11.392 18.844 566 HD1 TRP 184 HD TRP 184 -4.326 -12.369 21.736 567 HE1 TRP 184 1HE TRP 184 -5.641 -13.979 23.253 568 HE3 TRP 184 3HE TRP 184 -7.970 -13.793 18.445 569 HZ2 TRP 184 2HZ TRP 184 -7.921 -15.634 23.077 570 HZ3 TRP 184 3HZ TRP 184 -9.681 -15.393 19.199 571 HH2 TRP 184 HH TRP 184 -9.655 -16.292 21.467 572 H LYS 185 H LYS 185 -4.993 -10.463 17.297 573 HA LYS 185 HA LYS 185 -3.670 -9.071 16.083 574 1HB LYS 185 2HB LYS 185 -1.840 -10.037 17.410 575 2HB LYS 185 1HB LYS 185 -1.672 -11.335 16.236 576 1HG LYS 185 2HG LYS 185 -1.414 -9.200 14.618 577 2HG LYS 185 1HG LYS 185 -0.754 -8.544 16.118 578 1HD LYS 185 2HD LYS 185 1.082 -9.838 16.016 579 2HD LYS 185 1HD LYS 185 0.175 -11.247 15.459 580 1HE LYS 185 2HE LYS 185 0.409 -9.042 13.523 581 2HE LYS 185 1HE LYS 185 1.920 -9.855 13.929 582 1HZ LYS 185 1HZ LYS 185 0.330 -11.947 13.540 583 2HZ LYS 185 2HZ LYS 185 1.250 -11.243 12.308 584 3HZ LYS 185 3HZ LYS 185 -0.386 -10.848 12.471 585 H HIS 186 H HIS 186 -3.371 -8.553 13.954 586 HA HIS 186 HA HIS 186 -4.089 -10.652 12.031 587 1HB HIS 186 2HB HIS 186 -4.548 -7.719 12.177 588 2HB HIS 186 1HB HIS 186 -4.310 -8.411 10.573 589 HD1 HIS 186 1HD HIS 186 -7.011 -7.267 12.118 590 HD2 HIS 186 2HD HIS 186 -6.077 -11.156 10.991 591 HE1 HIS 186 1HE HIS 186 -9.216 -8.461 11.932 592 HE2 HIS 186 2HE HIS 186 -8.631 -10.783 11.152 593 H TRP 187 H TRP 187 -3.142 -10.211 9.765 594 HA TRP 187 HA TRP 187 -0.250 -10.114 10.075 595 1HB TRP 187 2HB TRP 187 -2.127 -11.387 8.252 596 2HB TRP 187 1HB TRP 187 -0.818 -10.590 7.386 597 HD1 TRP 187 HD TRP 187 1.729 -11.235 8.763 598 HE1 TRP 187 1HE TRP 187 2.549 -13.629 9.228 599 HE3 TRP 187 3HE TRP 187 -2.748 -13.690 8.507 600 HZ2 TRP 187 2HZ TRP 187 1.445 -16.217 9.458 601 HZ3 TRP 187 3HZ TRP 187 -2.780 -16.125 8.861 602 HH2 TRP 187 HH TRP 187 -0.726 -17.361 9.327 603 H VAL 188 H VAL 188 0.802 -9.187 7.868 604 HA VAL 188 HA VAL 188 0.276 -6.361 7.973 605 HB VAL 188 HB VAL 188 2.104 -7.343 5.878 606 1HG1 VAL 188 1HG1 VAL 188 3.256 -5.451 6.362 607 2HG1 VAL 188 2HG1 VAL 188 2.940 -5.567 8.093 608 3HG1 VAL 188 3HG1 VAL 188 1.685 -4.975 7.004 609 1HG2 VAL 188 1HG2 VAL 188 2.794 -9.042 7.277 610 2HG2 VAL 188 2HG2 VAL 188 2.439 -8.126 8.742 611 3HG2 VAL 188 3HG2 VAL 188 3.859 -7.727 7.775 612 H TYR 189 H TYR 189 0.060 -8.918 5.539 613 HA TYR 189 HA TYR 189 -1.024 -7.178 3.545 614 1HB TYR 189 2HB TYR 189 -1.535 -9.731 2.664 615 2HB TYR 189 1HB TYR 189 -0.065 -8.822 2.342 616 HD1 TYR 189 1HD TYR 189 -1.559 -11.308 4.660 617 HD2 TYR 189 2HD TYR 189 2.010 -9.587 3.113 618 HE1 TYR 189 1HE TYR 189 -0.237 -13.048 5.789 619 HE2 TYR 189 2HE TYR 189 3.341 -11.322 4.235 620 HH TYR 189 HH TYR 189 2.981 -13.661 5.083 621 H TYR 190 H TYR 190 -3.119 -6.731 3.148 622 HA TYR 190 HA TYR 190 -5.171 -8.564 3.973 623 1HB TYR 190 2HB TYR 190 -4.402 -6.518 5.753 624 2HB TYR 190 1HB TYR 190 -5.970 -6.054 5.093 625 HD1 TYR 190 1HD TYR 190 -7.833 -7.841 5.166 626 HD2 TYR 190 2HD TYR 190 -4.283 -8.053 7.499 627 HE1 TYR 190 1HE TYR 190 -8.948 -9.396 6.709 628 HE2 TYR 190 2HE TYR 190 -5.388 -9.610 9.051 629 HH TYR 190 HH TYR 190 -7.718 -11.370 8.546 630 H THR 191 H THR 191 -4.148 -6.854 1.577 631 HA THR 191 HA THR 191 -6.600 -5.418 0.927 632 HB THR 191 HB THR 191 -5.015 -5.304 -1.327 633 HG1 THR 191 1HG THR 191 -3.013 -5.529 -0.795 634 1HG2 THR 191 1HG2 THR 191 -5.281 -3.147 -0.946 635 2HG2 THR 191 2HG2 THR 191 -4.188 -3.228 0.431 636 3HG2 THR 191 3HG2 THR 191 -5.909 -3.524 0.656 637 H CYS 192 H CYS 192 -7.972 -7.281 0.844 638 HA CYS 192 HA CYS 192 -7.478 -9.226 -1.266 639 1HB CYS 192 2HB CYS 192 -8.929 -10.594 -0.187 640 2HB CYS 192 1HB CYS 192 -8.649 -9.512 1.163 641 H CYS 193 H CYS 193 -10.084 -7.150 -0.264 642 HA CYS 193 HA CYS 193 -10.770 -6.535 -3.021 643 1HB CYS 193 2HB CYS 193 -13.051 -7.538 -1.460 644 2HB CYS 193 1HB CYS 193 -12.590 -7.884 -3.123 645 HA PRO 194 HA PRO 194 -12.355 -2.797 -1.268 646 1HB PRO 194 2HB PRO 194 -14.501 -2.224 -2.802 647 2HB PRO 194 1HB PRO 194 -12.851 -2.162 -3.433 648 1HG PRO 194 2HG PRO 194 -14.905 -4.323 -3.710 649 2HG PRO 194 1HG PRO 194 -13.817 -3.651 -4.938 650 1HD PRO 194 2HD PRO 194 -13.329 -5.993 -3.643 651 2HD PRO 194 1HD PRO 194 -12.040 -4.930 -4.243 652 H ASP 195 H ASP 195 -14.902 -1.808 -1.026 653 HA ASP 195 HA ASP 195 -16.372 -3.776 0.577 654 1HB ASP 195 2HB ASP 195 -15.030 -2.413 2.124 655 2HB ASP 195 1HB ASP 195 -15.729 -0.943 1.441 656 H THR 196 H THR 196 -17.286 -3.476 -1.804 657 HA THR 196 HA THR 196 -19.238 -1.282 -1.821 658 HB THR 196 HB THR 196 -19.425 -1.587 -4.169 659 HG1 THR 196 1HG THR 196 -17.909 -3.962 -3.858 660 1HG2 THR 196 1HG2 THR 196 -16.706 -2.110 -4.557 661 2HG2 THR 196 2HG2 THR 196 -16.829 -1.267 -3.014 662 3HG2 THR 196 3HG2 THR 196 -17.506 -0.541 -4.473 663 HA PRO 197 HA PRO 197 -21.799 -5.411 -1.722 664 1HB PRO 197 2HB PRO 197 -21.570 -5.663 1.189 665 2HB PRO 197 1HB PRO 197 -21.403 -6.908 -0.050 666 1HG PRO 197 2HG PRO 197 -19.308 -5.999 1.397 667 2HG PRO 197 1HG PRO 197 -19.146 -6.570 -0.273 668 1HD PRO 197 2HD PRO 197 -19.232 -3.770 0.775 669 2HD PRO 197 1HD PRO 197 -18.251 -4.468 -0.529 670 H TYR 198 H TYR 198 -21.690 -2.439 -1.112 671 HA TYR 198 HA TYR 198 -23.710 -1.873 0.810 672 1HB TYR 198 2HB TYR 198 -21.771 -0.406 0.351 673 2HB TYR 198 1HB TYR 198 -22.359 -0.155 -1.292 674 HD1 TYR 198 1HD TYR 198 -22.591 0.889 2.150 675 HD2 TYR 198 2HD TYR 198 -24.544 1.061 -1.624 676 HE1 TYR 198 1HE TYR 198 -23.905 2.818 2.925 677 HE2 TYR 198 2HE TYR 198 -25.865 2.989 -0.860 678 HH TYR 198 HH TYR 198 -25.575 4.835 0.904 Start of MODEL 13 1 1H ILE 1 1HT ILE 1 -0.836 13.553 -7.715 2 2H ILE 1 2HT ILE 1 -0.299 13.272 -6.109 3 3H ILE 1 3HT ILE 1 0.124 14.726 -6.916 4 HA ILE 1 HA ILE 1 -1.532 15.457 -5.636 5 HB ILE 1 HB ILE 1 -3.474 15.806 -7.008 6 1HG1 ILE 1 2HG1 ILE 1 -2.869 14.135 -9.276 7 2HG1 ILE 1 1HG1 ILE 1 -3.029 13.136 -7.835 8 1HG2 ILE 1 1HG2 ILE 1 -0.981 15.579 -8.684 9 2HG2 ILE 1 2HG2 ILE 1 -1.471 16.961 -7.705 10 3HG2 ILE 1 3HG2 ILE 1 -2.417 16.504 -9.122 11 1HD1 ILE 1 1HD1 ILE 1 -5.194 13.165 -8.453 12 2HD1 ILE 1 2HD1 ILE 1 -5.052 14.711 -9.290 13 3HD1 ILE 1 3HD1 ILE 1 -5.192 14.669 -7.532 14 H VAL 2 H VAL 2 -4.328 14.732 -5.732 15 HA VAL 2 HA VAL 2 -4.682 13.239 -3.500 16 HB VAL 2 HB VAL 2 -6.504 13.263 -5.911 17 1HG1 VAL 2 1HG1 VAL 2 -8.278 12.801 -4.189 18 2HG1 VAL 2 2HG1 VAL 2 -6.977 12.415 -3.066 19 3HG1 VAL 2 3HG1 VAL 2 -7.189 11.456 -4.530 20 1HG2 VAL 2 1HG2 VAL 2 -6.114 15.494 -5.167 21 2HG2 VAL 2 2HG2 VAL 2 -6.310 15.028 -3.478 22 3HG2 VAL 2 3HG2 VAL 2 -7.699 15.011 -4.564 23 H CYS 3 H CYS 3 -5.484 11.017 -3.146 24 HA CYS 3 HA CYS 3 -4.906 9.056 -5.183 25 1HB CYS 3 2HB CYS 3 -2.683 9.608 -4.252 26 2HB CYS 3 1HB CYS 3 -3.254 9.124 -2.657 27 H HIS 4 H HIS 4 -7.311 9.606 -3.820 28 HA HIS 4 HA HIS 4 -8.963 8.629 -2.590 29 1HB HIS 4 2HB HIS 4 -7.804 5.922 -2.894 30 2HB HIS 4 1HB HIS 4 -9.425 6.504 -3.266 31 HD1 HIS 4 1HD HIS 4 -7.035 4.890 -5.017 32 HD2 HIS 4 2HD HIS 4 -8.762 8.620 -5.627 33 HE1 HIS 4 1HE HIS 4 -6.709 5.392 -7.459 34 HE2 HIS 4 2HE HIS 4 -7.880 7.592 -7.828 35 H THR 5 H THR 5 -9.321 6.664 -0.886 36 HA THR 5 HA THR 5 -8.025 7.510 1.467 37 HB THR 5 HB THR 5 -9.285 5.826 2.588 38 HG1 THR 5 1HG THR 5 -10.239 4.104 1.443 39 1HG2 THR 5 1HG2 THR 5 -10.952 6.509 0.184 40 2HG2 THR 5 2HG2 THR 5 -10.655 7.610 1.529 41 3HG2 THR 5 3HG2 THR 5 -11.512 6.092 1.802 42 H THR 6 H THR 6 -7.861 4.386 2.171 43 HA THR 6 HA THR 6 -4.986 4.269 1.666 44 HB THR 6 HB THR 6 -4.833 2.759 3.467 45 HG1 THR 6 1HG THR 6 -6.429 1.306 2.991 46 1HG2 THR 6 1HG2 THR 6 -7.129 4.553 4.216 47 2HG2 THR 6 2HG2 THR 6 -5.424 4.998 4.263 48 3HG2 THR 6 3HG2 THR 6 -6.032 3.729 5.325 49 H ALA 7 H ALA 7 -6.911 3.724 -0.464 50 HA ALA 7 HA ALA 7 -7.207 2.265 -2.184 51 1HB ALA 7 1HB ALA 7 -4.773 2.187 -2.189 52 2HB ALA 7 2HB ALA 7 -5.450 0.611 -2.599 53 3HB ALA 7 3HB ALA 7 -4.800 0.900 -0.984 54 H THR 8 H THR 8 -8.999 1.857 -0.279 55 HA THR 8 HA THR 8 -8.997 -0.982 0.418 56 HB THR 8 HB THR 8 -10.805 -0.477 1.916 57 HG1 THR 8 1HG THR 8 -11.986 0.951 0.643 58 1HG2 THR 8 1HG2 THR 8 -9.872 1.079 3.414 59 2HG2 THR 8 2HG2 THR 8 -9.006 1.914 2.125 60 3HG2 THR 8 3HG2 THR 8 -8.514 0.291 2.610 61 H SER 9 H SER 9 -11.767 -1.428 0.500 62 HA SER 9 HA SER 9 -12.257 -2.021 -2.255 63 1HB SER 9 2HB SER 9 -13.373 -2.801 0.307 64 2HB SER 9 1HB SER 9 -14.641 -2.486 -0.875 65 HG SER 9 HG SER 9 -13.540 -4.685 -0.735 66 HA PRO 10 HA PRO 10 -15.799 1.133 -2.065 67 1HB PRO 10 2HB PRO 10 -16.669 2.190 0.217 68 2HB PRO 10 1HB PRO 10 -17.037 0.508 -0.178 69 1HG PRO 10 2HG PRO 10 -14.835 1.582 1.564 70 2HG PRO 10 1HG PRO 10 -16.022 0.316 1.937 71 1HD PRO 10 2HD PRO 10 -13.521 -0.252 1.057 72 2HD PRO 10 1HD PRO 10 -14.927 -1.266 0.667 73 H ILE 11 H ILE 11 -15.772 3.476 0.080 74 HA ILE 11 HA ILE 11 -13.224 4.722 -0.384 75 HB ILE 11 HB ILE 11 -14.224 6.730 -1.510 76 1HG1 ILE 11 2HG1 ILE 11 -16.532 4.831 -1.993 77 2HG1 ILE 11 1HG1 ILE 11 -16.579 6.267 -0.974 78 1HG2 ILE 11 1HG2 ILE 11 -14.035 5.840 -3.714 79 2HG2 ILE 11 2HG2 ILE 11 -14.447 4.218 -3.156 80 3HG2 ILE 11 3HG2 ILE 11 -12.914 4.951 -2.683 81 1HD1 ILE 11 1HD1 ILE 11 -15.726 6.696 -3.758 82 2HD1 ILE 11 2HD1 ILE 11 -16.784 7.659 -2.726 83 3HD1 ILE 11 3HD1 ILE 11 -17.406 6.213 -3.521 84 H SER 12 H SER 12 -13.090 6.859 0.678 85 HA SER 12 HA SER 12 -15.256 7.386 2.576 86 1HB SER 12 2HB SER 12 -12.377 6.896 3.356 87 2HB SER 12 1HB SER 12 -13.567 7.638 4.425 88 HG SER 12 HG SER 12 -13.341 5.001 3.560 89 H ALA 13 H ALA 13 -11.956 8.656 2.623 90 HA ALA 13 HA ALA 13 -12.937 11.199 1.540 91 1HB ALA 13 1HB ALA 13 -13.085 11.755 3.772 92 2HB ALA 13 2HB ALA 13 -11.444 12.272 3.386 93 3HB ALA 13 3HB ALA 13 -11.713 10.745 4.225 94 H VAL 14 H VAL 14 -11.777 10.713 -0.354 95 HA VAL 14 HA VAL 14 -9.138 9.896 -0.541 96 HB VAL 14 HB VAL 14 -9.112 10.747 -2.784 97 1HG1 VAL 14 1HG1 VAL 14 -11.987 10.130 -2.661 98 2HG1 VAL 14 2HG1 VAL 14 -10.921 8.961 -1.883 99 3HG1 VAL 14 3HG1 VAL 14 -10.695 9.362 -3.585 100 1HG2 VAL 14 1HG2 VAL 14 -11.625 12.091 -2.978 101 2HG2 VAL 14 2HG2 VAL 14 -10.012 12.695 -3.355 102 3HG2 VAL 14 3HG2 VAL 14 -10.656 12.861 -1.723 103 H THR 15 H THR 15 -7.364 11.340 -1.534 104 HA THR 15 HA THR 15 -5.882 13.058 -1.366 105 HB THR 15 HB THR 15 -6.611 15.229 -1.118 106 HG1 THR 15 1HG THR 15 -8.318 14.202 0.864 107 1HG2 THR 15 1HG2 THR 15 -8.222 15.268 -2.621 108 2HG2 THR 15 2HG2 THR 15 -9.398 14.782 -1.401 109 3HG2 THR 15 3HG2 THR 15 -8.536 13.558 -2.331 110 H CYS 16 H CYS 16 -4.415 13.912 0.136 111 HA CYS 16 HA CYS 16 -4.801 12.902 2.880 112 1HB CYS 16 2HB CYS 16 -2.119 13.515 1.659 113 2HB CYS 16 1HB CYS 16 -2.485 12.504 3.056 114 HA PRO 17 HA PRO 17 -4.954 17.284 3.905 115 1HB PRO 17 2HB PRO 17 -4.691 16.233 6.661 116 2HB PRO 17 1HB PRO 17 -5.921 17.296 5.974 117 1HG PRO 17 2HG PRO 17 -6.455 14.736 6.543 118 2HG PRO 17 1HG PRO 17 -7.163 15.542 5.131 119 1HD PRO 17 2HD PRO 17 -4.902 13.592 5.269 120 2HD PRO 17 1HD PRO 17 -6.180 13.754 4.049 121 HA PRO 18 HA PRO 18 -0.764 17.222 6.171 122 1HB PRO 18 2HB PRO 18 0.301 14.971 7.113 123 2HB PRO 18 1HB PRO 18 -1.047 15.751 7.951 124 1HG PRO 18 2HG PRO 18 -1.056 13.359 6.164 125 2HG PRO 18 1HG PRO 18 -1.980 13.655 7.646 126 1HD PRO 18 2HD PRO 18 -2.928 13.988 5.042 127 2HD PRO 18 1HD PRO 18 -3.660 14.672 6.505 128 H GLY 19 H GLY 19 1.579 16.568 5.784 129 1HA GLY 19 2HA GLY 19 3.270 16.269 4.260 130 2HA GLY 19 1HA GLY 19 2.431 14.776 3.856 131 H GLU 20 H GLU 20 3.415 15.306 1.725 132 HA GLU 20 HA GLU 20 1.916 17.337 0.235 133 1HB GLU 20 2HB GLU 20 4.566 16.871 0.241 134 2HB GLU 20 1HB GLU 20 4.096 15.811 -1.080 135 1HG GLU 20 2HG GLU 20 3.956 17.529 -2.462 136 2HG GLU 20 1HG GLU 20 2.816 18.346 -1.394 137 H ASN 21 H ASN 21 2.435 15.995 -2.331 138 HA ASN 21 HA ASN 21 0.294 13.992 -2.152 139 1HB ASN 21 2HB ASN 21 0.020 14.449 -4.610 140 2HB ASN 21 1HB ASN 21 -0.322 15.827 -3.561 141 1HD2 ASN 21 1HD2 ASN 21 0.088 16.522 -6.018 142 2HD2 ASN 21 2HD2 ASN 21 1.668 17.171 -6.281 143 H LEU 22 H LEU 22 2.266 12.627 -1.404 144 HA LEU 22 HA LEU 22 3.557 11.442 -3.771 145 1HB LEU 22 2HB LEU 22 4.472 11.773 -0.944 146 2HB LEU 22 1HB LEU 22 5.112 10.463 -1.917 147 HG LEU 22 HG LEU 22 6.552 12.492 -1.878 148 1HD1 LEU 22 1HD1 LEU 22 7.142 11.285 -3.696 149 2HD1 LEU 22 2HD1 LEU 22 6.456 12.670 -4.546 150 3HD1 LEU 22 3HD1 LEU 22 5.494 11.210 -4.319 151 1HD2 LEU 22 1HD2 LEU 22 5.904 14.527 -2.722 152 2HD2 LEU 22 2HD2 LEU 22 4.403 13.986 -1.972 153 3HD2 LEU 22 3HD2 LEU 22 4.623 13.832 -3.715 154 H CYS 23 H CYS 23 0.962 10.951 -2.006 155 HA CYS 23 HA CYS 23 -0.057 9.139 -0.946 156 1HB CYS 23 2HB CYS 23 -1.014 9.331 -3.127 157 2HB CYS 23 1HB CYS 23 0.305 8.431 -3.858 158 H TYR 24 H TYR 24 2.541 8.876 -0.178 159 HA TYR 24 HA TYR 24 4.108 6.757 -0.659 160 1HB TYR 24 2HB TYR 24 3.576 8.410 1.564 161 2HB TYR 24 1HB TYR 24 3.550 6.763 2.171 162 HD1 TYR 24 1HD TYR 24 5.673 8.303 -0.483 163 HD2 TYR 24 2HD TYR 24 5.490 6.502 3.364 164 HE1 TYR 24 1HE TYR 24 8.131 8.313 -0.363 165 HE2 TYR 24 2HE TYR 24 7.937 6.503 3.493 166 HH TYR 24 HH TYR 24 9.850 8.187 2.123 167 H ARG 25 H ARG 25 3.024 4.979 -1.561 168 HA ARG 25 HA ARG 25 1.103 3.573 0.132 169 1HB ARG 25 2HB ARG 25 0.751 2.155 -1.907 170 2HB ARG 25 1HB ARG 25 0.355 3.854 -2.116 171 1HG ARG 25 2HG ARG 25 1.886 4.134 -3.712 172 2HG ARG 25 1HG ARG 25 3.110 3.224 -2.825 173 1HD ARG 25 2HD ARG 25 2.440 1.197 -3.727 174 2HD ARG 25 1HD ARG 25 0.828 1.792 -4.123 175 HE ARG 25 HE ARG 25 2.704 3.219 -5.636 176 1HH1 ARG 25 1HH1 ARG 25 1.401 -0.009 -5.376 177 2HH1 ARG 25 2HH1 ARG 25 1.661 -0.383 -7.046 178 1HH2 ARG 25 1HH2 ARG 25 3.047 2.727 -7.835 179 2HH2 ARG 25 2HH2 ARG 25 2.596 1.168 -8.442 180 H LYS 26 H LYS 26 2.225 2.476 1.655 181 HA LYS 26 HA LYS 26 4.671 1.106 1.164 182 1HB LYS 26 2HB LYS 26 3.257 1.843 3.412 183 2HB LYS 26 1HB LYS 26 3.033 0.101 3.391 184 1HG LYS 26 2HG LYS 26 5.631 0.088 3.021 185 2HG LYS 26 1HG LYS 26 5.518 1.690 3.755 186 1HD LYS 26 2HD LYS 26 5.668 0.572 5.699 187 2HD LYS 26 1HD LYS 26 3.959 0.219 5.433 188 1HE LYS 26 2HE LYS 26 5.064 -1.766 4.001 189 2HE LYS 26 1HE LYS 26 6.326 -1.538 5.212 190 1HZ LYS 26 1HZ LYS 26 4.257 -1.584 6.808 191 2HZ LYS 26 2HZ LYS 26 5.000 -3.013 6.291 192 3HZ LYS 26 3HZ LYS 26 3.577 -2.482 5.545 193 H MET 27 H MET 27 4.680 -1.369 1.862 194 HA MET 27 HA MET 27 2.497 -2.997 1.196 195 1HB MET 27 2HB MET 27 2.956 -2.025 -1.072 196 2HB MET 27 1HB MET 27 4.536 -2.795 -1.025 197 1HG MET 27 2HG MET 27 3.590 -4.956 -1.064 198 2HG MET 27 1HG MET 27 1.974 -4.332 -0.735 199 1HE MET 27 1HE MET 27 4.899 -4.370 -3.466 200 2HE MET 27 2HE MET 27 3.881 -5.058 -4.731 201 3HE MET 27 3HE MET 27 4.060 -5.897 -3.190 202 H TRP 28 H TRP 28 3.144 -5.304 0.936 203 HA TRP 28 HA TRP 28 5.615 -5.793 2.446 204 1HB TRP 28 2HB TRP 28 3.218 -6.508 3.247 205 2HB TRP 28 1HB TRP 28 3.454 -7.851 2.132 206 HD1 TRP 28 HD TRP 28 6.693 -8.039 2.870 207 HE1 TRP 28 1HE TRP 28 7.314 -9.227 5.067 208 HE3 TRP 28 3HE TRP 28 2.194 -7.699 5.276 209 HZ2 TRP 28 2HZ TRP 28 6.062 -9.926 7.498 210 HZ3 TRP 28 3HZ TRP 28 1.991 -8.653 7.535 211 HH2 TRP 28 HH TRP 28 3.886 -9.744 8.622 212 H CYS 29 H CYS 29 5.027 -8.769 1.542 213 HA CYS 29 HA CYS 29 5.715 -10.183 -0.101 214 1HB CYS 29 2HB CYS 29 4.707 -7.963 -1.521 215 2HB CYS 29 1HB CYS 29 6.255 -8.353 -2.267 216 H ASP 30 H ASP 30 7.622 -9.794 -2.146 217 HA ASP 30 HA ASP 30 9.899 -8.375 -1.533 218 1HB ASP 30 2HB ASP 30 9.503 -10.400 0.387 219 2HB ASP 30 1HB ASP 30 10.801 -10.974 -0.654 220 H ALA 31 H ALA 31 8.483 -9.341 -3.795 221 HA ALA 31 HA ALA 31 9.019 -9.954 -5.929 222 1HB ALA 31 1HB ALA 31 11.459 -9.385 -4.954 223 2HB ALA 31 2HB ALA 31 11.178 -9.997 -6.583 224 3HB ALA 31 3HB ALA 31 11.662 -11.103 -5.297 225 H PHE 32 H PHE 32 10.423 -12.291 -3.615 226 HA PHE 32 HA PHE 32 10.197 -14.606 -5.030 227 1HB PHE 32 2HB PHE 32 10.828 -14.004 -2.457 228 2HB PHE 32 1HB PHE 32 9.305 -14.856 -2.230 229 HD1 PHE 32 1HD PHE 32 9.067 -17.178 -3.151 230 HD2 PHE 32 2HD PHE 32 12.807 -15.159 -2.945 231 HE1 PHE 32 1HE PHE 32 10.237 -19.331 -3.377 232 HE2 PHE 32 2HE PHE 32 13.985 -17.307 -3.171 233 HZ PHE 32 HZ PHE 32 12.700 -19.397 -3.389 234 H CYS 33 H CYS 33 7.589 -12.765 -3.632 235 HA CYS 33 HA CYS 33 5.669 -14.903 -3.996 236 1HB CYS 33 2HB CYS 33 4.133 -12.665 -3.566 237 2HB CYS 33 1HB CYS 33 4.710 -13.756 -2.317 238 H SER 34 H SER 34 4.321 -15.190 -5.660 239 HA SER 34 HA SER 34 4.870 -13.971 -8.137 240 1HB SER 34 2HB SER 34 2.879 -15.215 -8.946 241 2HB SER 34 1HB SER 34 3.979 -16.230 -8.012 242 HG SER 34 HG SER 34 2.585 -16.168 -6.305 243 H SER 35 H SER 35 4.672 -11.704 -7.496 244 HA SER 35 HA SER 35 3.599 -9.697 -7.354 245 1HB SER 35 2HB SER 35 3.146 -10.151 -9.679 246 2HB SER 35 1HB SER 35 1.778 -11.181 -9.259 247 HG SER 35 HG SER 35 2.001 -8.379 -8.891 248 H ARG 36 H ARG 36 3.128 -10.719 -5.053 249 HA ARG 36 HA ARG 36 0.231 -10.840 -4.628 250 1HB ARG 36 2HB ARG 36 2.513 -11.629 -2.810 251 2HB ARG 36 1HB ARG 36 0.811 -11.747 -2.389 252 1HG ARG 36 2HG ARG 36 2.103 -13.185 -4.697 253 2HG ARG 36 1HG ARG 36 1.819 -13.888 -3.104 254 1HD ARG 36 2HD ARG 36 -0.573 -12.658 -4.181 255 2HD ARG 36 1HD ARG 36 0.072 -13.891 -5.264 256 HE ARG 36 HE ARG 36 -1.166 -14.305 -2.711 257 1HH1 ARG 36 1HH1 ARG 36 1.103 -15.622 -5.014 258 2HH1 ARG 36 2HH1 ARG 36 0.906 -17.253 -4.463 259 1HH2 ARG 36 1HH2 ARG 36 -1.425 -16.448 -1.986 260 2HH2 ARG 36 2HH2 ARG 36 -0.528 -17.722 -2.745 261 H GLY 37 H GLY 37 2.080 -10.013 -1.848 262 1HA GLY 37 2HA GLY 37 2.396 -8.025 -0.722 263 2HA GLY 37 1HA GLY 37 1.981 -7.170 -2.198 264 H LYS 38 H LYS 38 -0.101 -6.487 -2.534 265 HA LYS 38 HA LYS 38 -1.991 -5.442 -1.765 266 1HB LYS 38 2HB LYS 38 -3.791 -7.086 -1.224 267 2HB LYS 38 1HB LYS 38 -2.926 -7.403 -2.721 268 1HG LYS 38 2HG LYS 38 -1.957 -8.753 -0.278 269 2HG LYS 38 1HG LYS 38 -3.478 -9.304 -0.969 270 1HD LYS 38 2HD LYS 38 -1.979 -9.149 -3.197 271 2HD LYS 38 1HD LYS 38 -0.725 -9.503 -2.011 272 1HE LYS 38 2HE LYS 38 -1.836 -11.486 -3.177 273 2HE LYS 38 1HE LYS 38 -1.681 -11.552 -1.424 274 1HZ LYS 38 1HZ LYS 38 -3.888 -11.531 -1.156 275 2HZ LYS 38 2HZ LYS 38 -3.957 -11.997 -2.780 276 3HZ LYS 38 3HZ LYS 38 -4.146 -10.371 -2.361 277 H VAL 39 H VAL 39 0.075 -5.518 0.299 278 HA VAL 39 HA VAL 39 -1.529 -5.809 2.733 279 HB VAL 39 HB VAL 39 1.384 -5.043 2.662 280 1HG1 VAL 39 1HG1 VAL 39 1.317 -5.246 4.897 281 2HG1 VAL 39 2HG1 VAL 39 0.346 -6.716 4.825 282 3HG1 VAL 39 3HG1 VAL 39 -0.434 -5.138 4.718 283 1HG2 VAL 39 1HG2 VAL 39 1.505 -7.640 3.274 284 2HG2 VAL 39 2HG2 VAL 39 1.651 -7.046 1.619 285 3HG2 VAL 39 3HG2 VAL 39 0.110 -7.671 2.201 286 H VAL 40 H VAL 40 -1.286 -3.589 0.496 287 HA VAL 40 HA VAL 40 -1.041 -1.272 0.390 288 HB VAL 40 HB VAL 40 -3.105 -0.310 1.073 289 1HG1 VAL 40 1HG1 VAL 40 -2.975 -2.403 -0.538 290 2HG1 VAL 40 2HG1 VAL 40 -4.514 -1.648 -0.120 291 3HG1 VAL 40 3HG1 VAL 40 -3.998 -3.118 0.707 292 1HG2 VAL 40 1HG2 VAL 40 -4.313 -2.380 2.629 293 2HG2 VAL 40 2HG2 VAL 40 -4.029 -0.694 3.060 294 3HG2 VAL 40 3HG2 VAL 40 -2.792 -1.907 3.386 295 H GLU 41 H GLU 41 -2.246 0.416 2.593 296 HA GLU 41 HA GLU 41 -1.613 1.010 4.855 297 1HB GLU 41 2HB GLU 41 0.375 -0.611 4.746 298 2HB GLU 41 1HB GLU 41 1.257 0.707 3.988 299 1HG GLU 41 2HG GLU 41 0.001 0.740 6.724 300 2HG GLU 41 1HG GLU 41 1.718 0.584 6.365 301 H LEU 42 H LEU 42 -2.265 3.031 4.643 302 HA LEU 42 HA LEU 42 -1.740 4.809 2.611 303 1HB LEU 42 2HB LEU 42 -2.571 6.537 4.034 304 2HB LEU 42 1HB LEU 42 -3.469 5.070 4.373 305 HG LEU 42 HG LEU 42 -1.150 5.419 6.121 306 1HD1 LEU 42 1HD1 LEU 42 -3.400 7.295 6.678 307 2HD1 LEU 42 2HD1 LEU 42 -2.090 7.798 5.611 308 3HD1 LEU 42 3HD1 LEU 42 -1.738 7.319 7.271 309 1HD2 LEU 42 1HD2 LEU 42 -4.066 5.125 6.804 310 2HD2 LEU 42 2HD2 LEU 42 -2.668 4.700 7.792 311 3HD2 LEU 42 3HD2 LEU 42 -3.039 3.767 6.342 312 H GLY 43 H GLY 43 -0.685 7.107 3.199 313 1HA GLY 43 2HA GLY 43 1.650 7.160 4.762 314 2HA GLY 43 1HA GLY 43 2.090 6.704 3.123 315 H CYS 44 H CYS 44 1.467 8.216 1.371 316 HA CYS 44 HA CYS 44 1.612 10.293 0.448 317 1HB CYS 44 2HB CYS 44 -0.455 10.422 2.480 318 2HB CYS 44 1HB CYS 44 0.309 11.993 2.239 319 H ALA 45 H ALA 45 3.910 10.274 0.883 320 HA ALA 45 HA ALA 45 4.809 11.880 3.157 321 1HB ALA 45 1HB ALA 45 6.966 11.004 2.793 322 2HB ALA 45 2HB ALA 45 6.563 10.478 1.159 323 3HB ALA 45 3HB ALA 45 5.857 9.654 2.549 324 H ALA 46 H ALA 46 7.231 12.817 2.009 325 HA ALA 46 HA ALA 46 6.727 14.356 -0.335 326 1HB ALA 46 1HB ALA 46 6.873 15.985 2.182 327 2HB ALA 46 2HB ALA 46 5.340 15.506 1.454 328 3HB ALA 46 3HB ALA 46 6.467 16.516 0.549 329 H THR 47 H THR 47 8.781 12.706 0.140 330 HA THR 47 HA THR 47 11.026 14.265 -0.358 331 HB THR 47 HB THR 47 11.287 15.073 1.766 332 HG1 THR 47 1HG THR 47 12.874 13.815 2.828 333 1HG2 THR 47 1HG2 THR 47 11.002 13.295 3.756 334 2HG2 THR 47 2HG2 THR 47 9.788 12.698 2.624 335 3HG2 THR 47 3HG2 THR 47 9.716 14.365 3.197 336 H CYS 48 H CYS 48 9.750 11.261 0.894 337 HA CYS 48 HA CYS 48 10.176 9.092 0.380 338 1HB CYS 48 2HB CYS 48 11.832 10.380 -1.785 339 2HB CYS 48 1HB CYS 48 11.680 8.636 -1.615 340 HA PRO 49 HA PRO 49 14.524 9.201 2.225 341 1HB PRO 49 2HB PRO 49 14.370 10.219 4.664 342 2HB PRO 49 1HB PRO 49 14.414 11.305 3.266 343 1HG PRO 49 2HG PRO 49 12.078 10.449 4.929 344 2HG PRO 49 1HG PRO 49 12.455 12.050 4.269 345 1HD PRO 49 2HD PRO 49 10.704 10.198 3.128 346 2HD PRO 49 1HD PRO 49 11.435 11.579 2.298 347 H SER 50 H SER 50 11.703 7.794 2.562 348 HA SER 50 HA SER 50 12.190 6.214 4.960 349 1HB SER 50 2HB SER 50 9.945 7.305 3.957 350 2HB SER 50 1HB SER 50 9.856 5.702 3.225 351 HG SER 50 HG SER 50 9.115 6.320 5.628 352 H LYS 51 H LYS 51 13.999 5.770 2.913 353 HA LYS 51 HA LYS 51 15.074 3.996 1.948 354 1HB LYS 51 2HB LYS 51 12.654 2.383 2.786 355 2HB LYS 51 1HB LYS 51 14.139 1.723 2.130 356 1HG LYS 51 2HG LYS 51 15.210 3.022 4.160 357 2HG LYS 51 1HG LYS 51 13.585 2.839 4.823 358 1HD LYS 51 2HD LYS 51 14.011 0.339 3.909 359 2HD LYS 51 1HD LYS 51 15.666 0.810 4.298 360 1HE LYS 51 2HE LYS 51 15.294 0.659 6.493 361 2HE LYS 51 1HE LYS 51 13.788 1.567 6.379 362 1HZ LYS 51 1HZ LYS 51 13.988 -1.286 5.611 363 2HZ LYS 51 2HZ LYS 51 12.588 -0.381 5.893 364 3HZ LYS 51 3HZ LYS 51 13.603 -0.793 7.183 365 H LYS 52 H LYS 52 14.920 2.611 -0.004 366 HA LYS 52 HA LYS 52 12.693 3.410 -1.736 367 1HB LYS 52 2HB LYS 52 15.639 3.537 -2.313 368 2HB LYS 52 1HB LYS 52 14.449 3.480 -3.606 369 1HG LYS 52 2HG LYS 52 14.255 5.674 -3.447 370 2HG LYS 52 1HG LYS 52 13.575 5.462 -1.832 371 1HD LYS 52 2HD LYS 52 15.471 6.123 -0.811 372 2HD LYS 52 1HD LYS 52 16.505 5.289 -1.972 373 1HE LYS 52 2HE LYS 52 15.715 7.179 -3.592 374 2HE LYS 52 1HE LYS 52 15.335 8.035 -2.098 375 1HZ LYS 52 1HZ LYS 52 17.993 6.939 -2.848 376 2HZ LYS 52 2HZ LYS 52 17.636 7.729 -1.395 377 3HZ LYS 52 3HZ LYS 52 17.552 8.573 -2.858 378 HA PRO 53 HA PRO 53 14.168 -0.711 -3.680 379 1HB PRO 53 2HB PRO 53 16.368 -1.953 -2.640 380 2HB PRO 53 1HB PRO 53 16.428 -0.827 -3.999 381 1HG PRO 53 2HG PRO 53 17.035 -0.345 -1.112 382 2HG PRO 53 1HG PRO 53 17.887 0.243 -2.551 383 1HD PRO 53 2HD PRO 53 16.181 1.795 -1.147 384 2HD PRO 53 1HD PRO 53 16.385 1.948 -2.902 385 H TYR 54 H TYR 54 15.515 -1.082 -0.383 386 HA TYR 54 HA TYR 54 14.328 -3.520 0.211 387 1HB TYR 54 2HB TYR 54 14.440 -1.769 2.546 388 2HB TYR 54 1HB TYR 54 15.344 -3.245 2.201 389 HD1 TYR 54 1HD TYR 54 17.390 -3.109 0.768 390 HD2 TYR 54 2HD TYR 54 15.412 0.343 2.243 391 HE1 TYR 54 1HE TYR 54 19.357 -1.763 0.220 392 HE2 TYR 54 2HE TYR 54 17.369 1.709 1.714 393 HH TYR 54 HH TYR 54 19.326 1.610 0.162 394 H GLU 55 H GLU 55 12.757 -3.691 2.224 395 HA GLU 55 HA GLU 55 10.522 -3.853 2.656 396 1HB GLU 55 2HB GLU 55 9.542 -1.489 3.166 397 2HB GLU 55 1HB GLU 55 10.830 -2.143 4.165 398 1HG GLU 55 2HG GLU 55 12.471 -0.807 3.010 399 2HG GLU 55 1HG GLU 55 11.248 -0.229 1.880 400 H GLU 56 H GLU 56 9.400 -0.875 1.490 401 HA GLU 56 HA GLU 56 8.829 -1.674 -1.188 402 1HB GLU 56 2HB GLU 56 6.746 -1.941 0.960 403 2HB GLU 56 1HB GLU 56 6.275 -1.573 -0.693 404 1HG GLU 56 2HG GLU 56 7.613 -4.040 0.358 405 2HG GLU 56 1HG GLU 56 6.062 -3.896 -0.462 406 H VAL 57 H VAL 57 6.210 0.064 0.096 407 HA VAL 57 HA VAL 57 5.552 2.228 -0.069 408 HB VAL 57 HB VAL 57 8.439 2.927 0.459 409 1HG1 VAL 57 1HG1 VAL 57 7.676 5.010 0.334 410 2HG1 VAL 57 2HG1 VAL 57 6.727 4.677 1.781 411 3HG1 VAL 57 3HG1 VAL 57 6.008 4.456 0.188 412 1HG2 VAL 57 1HG2 VAL 57 6.841 1.329 2.056 413 2HG2 VAL 57 2HG2 VAL 57 6.682 2.936 2.765 414 3HG2 VAL 57 3HG2 VAL 57 8.278 2.215 2.564 415 H THR 58 H THR 58 8.843 2.657 -1.305 416 HA THR 58 HA THR 58 9.629 3.610 -3.219 417 HB THR 58 HB THR 58 8.774 2.692 -5.297 418 HG1 THR 58 1HG THR 58 6.549 2.854 -4.850 419 1HG2 THR 58 1HG2 THR 58 10.030 0.991 -4.519 420 2HG2 THR 58 2HG2 THR 58 8.460 0.190 -4.455 421 3HG2 THR 58 3HG2 THR 58 9.153 0.891 -2.993 422 H CYS 59 H CYS 59 7.524 5.053 -1.696 423 HA CYS 59 HA CYS 59 6.184 6.889 -1.858 424 1HB CYS 59 2HB CYS 59 7.574 7.656 -4.398 425 2HB CYS 59 1HB CYS 59 7.083 8.670 -3.043 426 H CYS 60 H CYS 60 4.935 8.308 -3.703 427 HA CYS 60 HA CYS 60 3.772 6.469 -5.649 428 1HB CYS 60 2HB CYS 60 2.533 6.582 -3.344 429 2HB CYS 60 1HB CYS 60 1.903 8.096 -3.966 430 H SER 61 H SER 61 2.219 9.497 -4.749 431 HA SER 61 HA SER 61 1.827 11.395 -5.938 432 1HB SER 61 2HB SER 61 3.917 12.241 -5.467 433 2HB SER 61 1HB SER 61 4.753 10.893 -6.243 434 HG SER 61 HG SER 61 3.911 13.289 -7.291 435 H THR 62 H THR 62 2.003 12.432 -8.206 436 HA THR 62 HA THR 62 1.660 12.365 -10.458 437 HB THR 62 HB THR 62 2.263 9.432 -10.575 438 HG1 THR 62 1HG THR 62 4.494 10.011 -10.634 439 1HG2 THR 62 1HG2 THR 62 1.995 10.072 -12.726 440 2HG2 THR 62 2HG2 THR 62 3.695 10.497 -12.534 441 3HG2 THR 62 3HG2 THR 62 2.456 11.744 -12.406 442 H ASP 63 H ASP 63 -0.559 12.686 -9.800 443 HA ASP 63 HA ASP 63 -2.793 12.234 -9.807 444 1HB ASP 63 2HB ASP 63 -1.696 10.573 -12.039 445 2HB ASP 63 1HB ASP 63 -3.392 10.395 -11.600 446 H LYS 64 H LYS 64 -4.425 10.202 -9.885 447 HA LYS 64 HA LYS 64 -4.117 8.883 -7.450 448 1HB LYS 64 2HB LYS 64 -5.931 7.326 -8.409 449 2HB LYS 64 1HB LYS 64 -6.316 9.036 -8.229 450 1HG LYS 64 2HG LYS 64 -5.178 8.353 -10.833 451 2HG LYS 64 1HG LYS 64 -6.707 7.544 -10.483 452 1HD LYS 64 2HD LYS 64 -7.335 10.019 -9.680 453 2HD LYS 64 1HD LYS 64 -6.124 10.417 -10.900 454 1HE LYS 64 2HE LYS 64 -7.904 10.330 -12.287 455 2HE LYS 64 1HE LYS 64 -7.559 8.600 -12.259 456 1HZ LYS 64 1HZ LYS 64 -9.946 9.401 -11.821 457 2HZ LYS 64 2HZ LYS 64 -9.385 9.788 -10.273 458 3HZ LYS 64 3HZ LYS 64 -9.306 8.191 -10.826 459 H CYS 65 H CYS 65 -2.077 7.908 -7.370 460 HA CYS 65 HA CYS 65 -1.503 5.771 -9.267 461 1HB CYS 65 2HB CYS 65 0.648 5.599 -7.882 462 2HB CYS 65 1HB CYS 65 0.420 7.041 -8.862 463 H ASN 66 H ASN 66 -3.715 5.206 -7.684 464 HA ASN 66 HA ASN 66 -2.659 3.260 -5.758 465 1HB ASN 66 2HB ASN 66 -4.984 5.010 -5.755 466 2HB ASN 66 1HB ASN 66 -5.433 3.337 -5.441 467 1HD2 ASN 66 1HD2 ASN 66 -5.764 5.278 -3.539 468 2HD2 ASN 66 2HD2 ASN 66 -4.660 5.008 -2.237 469 HA PRO 67 HA PRO 67 -3.961 0.608 -9.281 470 1HB PRO 67 2HB PRO 67 -2.064 -1.276 -8.921 471 2HB PRO 67 1HB PRO 67 -1.741 0.241 -9.770 472 1HG PRO 67 2HG PRO 67 -1.139 -0.504 -6.929 473 2HG PRO 67 1HG PRO 67 -0.105 0.325 -8.110 474 1HD PRO 67 2HD PRO 67 -1.479 1.651 -6.187 475 2HD PRO 67 1HD PRO 67 -1.142 2.356 -7.782 476 H HIS 68 H HIS 68 -3.983 0.276 -5.922 477 HA HIS 68 HA HIS 68 -5.114 -1.091 -4.499 478 1HB HIS 68 2HB HIS 68 -6.472 -2.613 -6.660 479 2HB HIS 68 1HB HIS 68 -7.137 -1.902 -5.194 480 HD1 HIS 68 1HD HIS 68 -7.534 -1.580 -8.625 481 HD2 HIS 68 2HD HIS 68 -6.890 1.192 -5.597 482 HE1 HIS 68 1HE HIS 68 -8.337 0.617 -9.545 483 HE2 HIS 68 2HE HIS 68 -7.852 2.296 -7.729 484 HA PRO 69 HA PRO 69 -3.255 -5.056 -3.934 485 1HB PRO 69 2HB PRO 69 -5.786 -6.501 -4.575 486 2HB PRO 69 1HB PRO 69 -4.708 -6.683 -3.187 487 1HG PRO 69 2HG PRO 69 -7.017 -5.387 -2.947 488 2HG PRO 69 1HG PRO 69 -5.562 -4.815 -2.110 489 1HD PRO 69 2HD PRO 69 -6.907 -3.727 -4.537 490 2HD PRO 69 1HD PRO 69 -6.038 -2.871 -3.246 491 H LYS 70 H LYS 70 -1.859 -5.861 -5.356 492 HA LYS 70 HA LYS 70 -2.739 -6.390 -8.096 493 1HB LYS 70 2HB LYS 70 -0.280 -6.576 -8.563 494 2HB LYS 70 1HB LYS 70 -0.799 -4.999 -7.984 495 1HG LYS 70 2HG LYS 70 -0.066 -6.601 -5.744 496 2HG LYS 70 1HG LYS 70 1.222 -6.671 -6.947 497 1HD LYS 70 2HD LYS 70 1.744 -4.816 -5.599 498 2HD LYS 70 1HD LYS 70 1.031 -4.133 -7.062 499 1HE LYS 70 2HE LYS 70 -1.158 -4.049 -5.853 500 2HE LYS 70 1HE LYS 70 -0.302 -4.526 -4.387 501 1HZ LYS 70 1HZ LYS 70 0.742 -2.517 -4.231 502 2HZ LYS 70 2HZ LYS 70 -0.714 -2.024 -4.935 503 3HZ LYS 70 3HZ LYS 70 0.669 -2.203 -5.892 504 H GLN 71 H GLN 71 -3.407 -8.177 -5.874 505 HA GLN 71 HA GLN 71 -1.758 -10.456 -5.854 506 1HB GLN 71 2HB GLN 71 -3.695 -11.618 -4.892 507 2HB GLN 71 1HB GLN 71 -3.430 -10.057 -4.132 508 1HG GLN 71 2HG GLN 71 -5.633 -9.818 -4.417 509 2HG GLN 71 1HG GLN 71 -5.180 -9.364 -6.059 510 1HE2 GLN 71 1HE2 GLN 71 -7.656 -10.519 -5.145 511 2HE2 GLN 71 2HE2 GLN 71 -7.848 -12.018 -5.984 512 H ARG 72 H ARG 72 -4.506 -9.551 -7.885 513 HA ARG 72 HA ARG 72 -5.322 -10.411 -9.825 514 1HB ARG 72 2HB ARG 72 -2.580 -11.647 -10.097 515 2HB ARG 72 1HB ARG 72 -3.729 -11.349 -11.394 516 1HG ARG 72 2HG ARG 72 -2.564 -9.152 -9.708 517 2HG ARG 72 1HG ARG 72 -1.819 -9.722 -11.203 518 1HD ARG 72 2HD ARG 72 -3.084 -7.985 -12.001 519 2HD ARG 72 1HD ARG 72 -4.221 -9.320 -12.180 520 HE ARG 72 HE ARG 72 -4.730 -8.323 -9.693 521 1HH1 ARG 72 1HH1 ARG 72 -4.638 -6.962 -12.906 522 2HH1 ARG 72 2HH1 ARG 72 -5.831 -5.755 -12.564 523 1HH2 ARG 72 1HH2 ARG 72 -6.300 -6.737 -9.242 524 2HH2 ARG 72 2HH2 ARG 72 -6.775 -5.627 -10.484 525 HA PRO 73 HA PRO 73 -6.460 -14.437 -7.987 526 1HB PRO 73 2HB PRO 73 -8.956 -14.483 -9.080 527 2HB PRO 73 1HB PRO 73 -8.569 -13.633 -7.580 528 1HG PRO 73 2HG PRO 73 -8.843 -12.548 -10.355 529 2HG PRO 73 1HG PRO 73 -9.437 -11.874 -8.826 530 1HD PRO 73 2HD PRO 73 -7.199 -10.964 -10.031 531 2HD PRO 73 1HD PRO 73 -7.372 -11.004 -8.265 532 H GLY 74 H GLY 74 -4.713 -14.952 -9.741 533 1HA GLY 74 2HA GLY 74 -4.154 -16.566 -11.297 534 2HA GLY 74 1HA GLY 74 -5.868 -16.943 -11.458 535 1H TYR 181 1HT TYR 181 -3.623 -19.870 23.458 536 2H TYR 181 2HT TYR 181 -3.722 -18.372 22.624 537 3H TYR 181 3HT TYR 181 -2.199 -19.129 22.859 538 HA TYR 181 HA TYR 181 -2.839 -20.937 21.482 539 1HB TYR 181 2HB TYR 181 -5.165 -19.921 20.225 540 2HB TYR 181 1HB TYR 181 -5.017 -21.376 21.201 541 HD1 TYR 181 1HD TYR 181 -5.592 -21.313 23.610 542 HD2 TYR 181 2HD TYR 181 -6.218 -17.948 21.081 543 HE1 TYR 181 1HE TYR 181 -7.094 -20.334 25.292 544 HE2 TYR 181 2HE TYR 181 -7.721 -16.960 22.758 545 HH TYR 181 HH TYR 181 -7.837 -17.820 25.857 546 H ARG 182 H ARG 182 -4.377 -17.935 20.344 547 HA ARG 182 HA ARG 182 -2.047 -17.150 18.852 548 1HB ARG 182 2HB ARG 182 -3.553 -17.152 16.682 549 2HB ARG 182 1HB ARG 182 -2.610 -18.562 17.136 550 1HG ARG 182 2HG ARG 182 -4.698 -19.412 16.554 551 2HG ARG 182 1HG ARG 182 -4.718 -19.381 18.317 552 1HD ARG 182 2HD ARG 182 -5.678 -16.888 17.608 553 2HD ARG 182 1HD ARG 182 -6.388 -17.964 16.405 554 HE ARG 182 HE ARG 182 -7.128 -17.751 19.129 555 1HH1 ARG 182 1HH1 ARG 182 -6.721 -20.096 16.576 556 2HH1 ARG 182 2HH1 ARG 182 -7.891 -21.193 17.227 557 1HH2 ARG 182 1HH2 ARG 182 -8.668 -19.192 19.985 558 2HH2 ARG 182 2HH2 ARG 182 -8.997 -20.680 19.163 559 H GLY 183 H GLY 183 -2.217 -15.059 17.946 560 1HA GLY 183 2HA GLY 183 -4.692 -13.586 18.181 561 2HA GLY 183 1HA GLY 183 -3.475 -13.128 19.364 562 H TRP 184 H TRP 184 -4.665 -11.584 17.158 563 HA TRP 184 HA TRP 184 -2.361 -10.240 16.288 564 1HB TRP 184 2HB TRP 184 -2.601 -10.762 13.814 565 2HB TRP 184 1HB TRP 184 -1.894 -12.034 14.803 566 HD1 TRP 184 HD TRP 184 -5.600 -11.870 15.201 567 HE1 TRP 184 1HE TRP 184 -6.714 -13.777 13.883 568 HE3 TRP 184 3HE TRP 184 -1.573 -13.422 12.458 569 HZ2 TRP 184 2HZ TRP 184 -5.985 -15.688 11.938 570 HZ3 TRP 184 3HZ TRP 184 -1.866 -15.296 10.891 571 HH2 TRP 184 HH TRP 184 -4.027 -16.405 10.639 572 H LYS 185 H LYS 185 -2.905 -8.630 14.500 573 HA LYS 185 HA LYS 185 -5.247 -7.225 15.257 574 1HB LYS 185 2HB LYS 185 -4.587 -5.935 13.006 575 2HB LYS 185 1HB LYS 185 -3.726 -5.700 14.518 576 1HG LYS 185 2HG LYS 185 -1.860 -6.785 13.788 577 2HG LYS 185 1HG LYS 185 -2.761 -7.833 12.692 578 1HD LYS 185 2HD LYS 185 -3.210 -5.731 11.320 579 2HD LYS 185 1HD LYS 185 -1.962 -4.962 12.300 580 1HE LYS 185 2HE LYS 185 -0.697 -5.698 10.541 581 2HE LYS 185 1HE LYS 185 -0.576 -7.091 11.616 582 1HZ LYS 185 1HZ LYS 185 -1.809 -8.364 10.249 583 2HZ LYS 185 2HZ LYS 185 -1.291 -7.270 9.067 584 3HZ LYS 185 3HZ LYS 185 -2.820 -7.094 9.768 585 H HIS 186 H HIS 186 -4.494 -7.978 11.877 586 HA HIS 186 HA HIS 186 -7.112 -9.245 11.576 587 1HB HIS 186 2HB HIS 186 -7.712 -7.876 9.685 588 2HB HIS 186 1HB HIS 186 -7.318 -6.807 11.030 589 HD1 HIS 186 1HD HIS 186 -6.138 -7.847 7.643 590 HD2 HIS 186 2HD HIS 186 -5.027 -5.230 10.672 591 HE1 HIS 186 1HE HIS 186 -4.390 -6.350 6.629 592 HE2 HIS 186 2HE HIS 186 -3.663 -4.839 8.509 593 H TRP 187 H TRP 187 -6.931 -9.324 8.693 594 HA TRP 187 HA TRP 187 -5.659 -11.704 8.242 595 1HB TRP 187 2HB TRP 187 -6.471 -9.444 6.474 596 2HB TRP 187 1HB TRP 187 -5.452 -10.705 5.785 597 HD1 TRP 187 HD TRP 187 -6.803 -13.194 7.309 598 HE1 TRP 187 1HE TRP 187 -9.140 -13.976 6.570 599 HE3 TRP 187 3HE TRP 187 -8.396 -8.925 4.989 600 HZ2 TRP 187 2HZ TRP 187 -11.365 -12.926 5.190 601 HZ3 TRP 187 3HZ TRP 187 -10.642 -8.896 3.985 602 HH2 TRP 187 HH TRP 187 -12.096 -10.858 4.084 603 H VAL 188 H VAL 188 -3.771 -12.016 6.617 604 HA VAL 188 HA VAL 188 -1.447 -10.881 7.841 605 HB VAL 188 HB VAL 188 -1.399 -12.606 5.385 606 1HG1 VAL 188 1HG1 VAL 188 0.731 -13.045 5.961 607 2HG1 VAL 188 2HG1 VAL 188 0.371 -13.068 7.688 608 3HG1 VAL 188 3HG1 VAL 188 0.584 -11.530 6.852 609 1HG2 VAL 188 1HG2 VAL 188 -1.378 -14.533 7.123 610 2HG2 VAL 188 2HG2 VAL 188 -2.919 -13.861 6.591 611 3HG2 VAL 188 3HG2 VAL 188 -2.240 -13.383 8.146 612 H TYR 189 H TYR 189 -0.774 -11.356 4.554 613 HA TYR 189 HA TYR 189 -0.214 -8.580 4.183 614 1HB TYR 189 2HB TYR 189 0.507 -9.473 1.863 615 2HB TYR 189 1HB TYR 189 1.423 -9.984 3.278 616 HD1 TYR 189 1HD TYR 189 -1.709 -11.174 1.578 617 HD2 TYR 189 2HD TYR 189 2.134 -12.159 3.118 618 HE1 TYR 189 1HE TYR 189 -2.069 -13.522 0.956 619 HE2 TYR 189 2HE TYR 189 1.782 -14.513 2.500 620 HH TYR 189 HH TYR 189 -0.122 -16.042 2.079 621 H TYR 190 H TYR 190 -2.876 -8.633 4.522 622 HA TYR 190 HA TYR 190 -3.846 -7.727 1.952 623 1HB TYR 190 2HB TYR 190 -4.328 -10.230 2.178 624 2HB TYR 190 1HB TYR 190 -5.493 -9.758 3.415 625 HD1 TYR 190 1HD TYR 190 -7.297 -8.052 2.718 626 HD2 TYR 190 2HD TYR 190 -4.957 -10.263 -0.062 627 HE1 TYR 190 1HE TYR 190 -8.984 -7.638 0.979 628 HE2 TYR 190 2HE TYR 190 -6.635 -9.853 -1.811 629 HH TYR 190 HH TYR 190 -9.537 -9.162 -1.450 630 H THR 191 H THR 191 -3.901 -5.777 2.971 631 HA THR 191 HA THR 191 -5.643 -5.420 5.284 632 HB THR 191 HB THR 191 -4.753 -2.898 4.454 633 HG1 THR 191 1HG THR 191 -3.281 -4.014 3.070 634 1HG2 THR 191 1HG2 THR 191 -3.330 -4.626 6.450 635 2HG2 THR 191 2HG2 THR 191 -4.882 -3.856 6.779 636 3HG2 THR 191 3HG2 THR 191 -3.466 -2.868 6.421 637 H CYS 192 H CYS 192 -5.369 -4.144 1.973 638 HA CYS 192 HA CYS 192 -7.472 -2.452 1.798 639 1HB CYS 192 2HB CYS 192 -6.471 -2.579 -0.242 640 2HB CYS 192 1HB CYS 192 -6.200 -4.307 -0.122 641 H CYS 193 H CYS 193 -9.448 -2.793 0.572 642 HA CYS 193 HA CYS 193 -11.621 -3.486 0.657 643 1HB CYS 193 2HB CYS 193 -11.229 -6.233 0.206 644 2HB CYS 193 1HB CYS 193 -11.418 -4.970 -1.003 645 HA PRO 194 HA PRO 194 -11.447 -5.619 4.847 646 1HB PRO 194 2HB PRO 194 -11.334 -3.621 6.594 647 2HB PRO 194 1HB PRO 194 -9.869 -4.170 5.769 648 1HG PRO 194 2HG PRO 194 -11.574 -1.778 5.212 649 2HG PRO 194 1HG PRO 194 -9.808 -1.925 5.191 650 1HD PRO 194 2HD PRO 194 -11.462 -2.033 2.952 651 2HD PRO 194 1HD PRO 194 -9.794 -2.629 3.030 652 H ASP 195 H ASP 195 -13.205 -2.824 3.673 653 HA ASP 195 HA ASP 195 -15.459 -3.367 5.443 654 1HB ASP 195 2HB ASP 195 -15.228 -1.181 3.370 655 2HB ASP 195 1HB ASP 195 -16.360 -1.267 4.722 656 H THR 196 H THR 196 -17.622 -2.715 4.053 657 HA THR 196 HA THR 196 -17.765 -4.004 1.475 658 HB THR 196 HB THR 196 -19.500 -5.315 3.520 659 HG1 THR 196 1HG THR 196 -17.747 -5.860 4.567 660 1HG2 THR 196 1HG2 THR 196 -19.020 -5.705 0.820 661 2HG2 THR 196 2HG2 THR 196 -19.884 -6.785 1.915 662 3HG2 THR 196 3HG2 THR 196 -18.160 -7.018 1.623 663 HA PRO 197 HA PRO 197 -21.278 -1.063 2.592 664 1HB PRO 197 2HB PRO 197 -19.999 1.059 1.103 665 2HB PRO 197 1HB PRO 197 -20.458 1.052 2.806 666 1HG PRO 197 2HG PRO 197 -17.864 1.084 1.917 667 2HG PRO 197 1HG PRO 197 -18.368 0.459 3.496 668 1HD PRO 197 2HD PRO 197 -17.714 -1.032 0.984 669 2HD PRO 197 1HD PRO 197 -17.335 -1.435 2.669 670 H TYR 198 H TYR 198 -19.973 -2.816 0.416 671 HA TYR 198 HA TYR 198 -20.831 -1.801 -2.097 672 1HB TYR 198 2HB TYR 198 -18.843 -3.215 -1.816 673 2HB TYR 198 1HB TYR 198 -19.846 -4.517 -1.178 674 HD1 TYR 198 1HD TYR 198 -18.376 -3.134 -4.100 675 HD2 TYR 198 2HD TYR 198 -21.696 -5.431 -2.761 676 HE1 TYR 198 1HE TYR 198 -18.681 -4.008 -6.378 677 HE2 TYR 198 2HE TYR 198 -22.011 -6.314 -5.034 678 HH TYR 198 HH TYR 198 -20.944 -5.032 -7.668 Start of MODEL 14 1 1H ILE 1 1HT ILE 1 -4.309 17.172 -7.115 2 2H ILE 1 2HT ILE 1 -5.581 16.986 -8.252 3 3H ILE 1 3HT ILE 1 -3.969 17.213 -8.794 4 HA ILE 1 HA ILE 1 -4.718 14.946 -8.992 5 HB ILE 1 HB ILE 1 -2.799 14.160 -7.173 6 1HG1 ILE 1 2HG1 ILE 1 -2.132 16.966 -8.093 7 2HG1 ILE 1 1HG1 ILE 1 -2.453 16.478 -6.432 8 1HG2 ILE 1 1HG2 ILE 1 -1.882 15.286 -9.761 9 2HG2 ILE 1 2HG2 ILE 1 -3.103 14.015 -9.795 10 3HG2 ILE 1 3HG2 ILE 1 -1.545 13.722 -9.021 11 1HD1 ILE 1 1HD1 ILE 1 -0.308 16.036 -6.166 12 2HD1 ILE 1 2HD1 ILE 1 0.002 16.473 -7.847 13 3HD1 ILE 1 3HD1 ILE 1 -0.404 14.808 -7.429 14 H VAL 2 H VAL 2 -3.830 15.305 -5.571 15 HA VAL 2 HA VAL 2 -4.758 14.493 -3.662 16 HB VAL 2 HB VAL 2 -7.332 14.469 -5.252 17 1HG1 VAL 2 1HG1 VAL 2 -7.652 13.082 -3.362 18 2HG1 VAL 2 2HG1 VAL 2 -8.349 14.646 -2.939 19 3HG1 VAL 2 3HG1 VAL 2 -6.768 14.186 -2.309 20 1HG2 VAL 2 1HG2 VAL 2 -6.865 16.695 -5.247 21 2HG2 VAL 2 2HG2 VAL 2 -5.837 16.591 -3.818 22 3HG2 VAL 2 3HG2 VAL 2 -7.593 16.577 -3.646 23 H CYS 3 H CYS 3 -5.618 12.541 -2.678 24 HA CYS 3 HA CYS 3 -5.047 10.210 -4.341 25 1HB CYS 3 2HB CYS 3 -5.402 10.389 -1.339 26 2HB CYS 3 1HB CYS 3 -4.747 9.023 -2.240 27 H HIS 4 H HIS 4 -6.398 8.177 -3.506 28 HA HIS 4 HA HIS 4 -9.217 8.922 -3.231 29 1HB HIS 4 2HB HIS 4 -9.522 6.813 -4.860 30 2HB HIS 4 1HB HIS 4 -9.423 8.469 -5.453 31 HD1 HIS 4 1HD HIS 4 -8.436 7.824 -7.711 32 HD2 HIS 4 2HD HIS 4 -6.175 6.493 -4.491 33 HE1 HIS 4 1HE HIS 4 -6.261 7.047 -8.694 34 HE2 HIS 4 2HE HIS 4 -4.870 6.345 -6.717 35 H THR 5 H THR 5 -10.594 7.114 -2.557 36 HA THR 5 HA THR 5 -10.248 5.972 -0.275 37 HB THR 5 HB THR 5 -11.403 3.865 -1.115 38 HG1 THR 5 1HG THR 5 -11.111 5.279 -3.553 39 1HG2 THR 5 1HG2 THR 5 -12.364 6.448 -0.824 40 2HG2 THR 5 2HG2 THR 5 -13.300 4.957 -0.881 41 3HG2 THR 5 3HG2 THR 5 -13.028 5.883 -2.357 42 H THR 6 H THR 6 -9.071 4.570 0.850 43 HA THR 6 HA THR 6 -6.904 3.161 -0.538 44 HB THR 6 HB THR 6 -6.103 4.606 1.205 45 HG1 THR 6 1HG THR 6 -6.127 1.990 2.286 46 1HG2 THR 6 1HG2 THR 6 -6.747 4.333 3.552 47 2HG2 THR 6 2HG2 THR 6 -8.009 3.204 3.061 48 3HG2 THR 6 3HG2 THR 6 -8.085 4.890 2.547 49 H ALA 7 H ALA 7 -9.900 2.672 0.965 50 HA ALA 7 HA ALA 7 -9.576 0.120 2.108 51 1HB ALA 7 1HB ALA 7 -11.708 1.964 1.584 52 2HB ALA 7 2HB ALA 7 -11.629 0.664 2.772 53 3HB ALA 7 3HB ALA 7 -12.215 0.334 1.142 54 H THR 8 H THR 8 -11.601 -1.421 0.858 55 HA THR 8 HA THR 8 -10.132 -2.811 -1.061 56 HB THR 8 HB THR 8 -11.858 -3.974 0.077 57 HG1 THR 8 1HG THR 8 -12.309 -5.069 -1.631 58 1HG2 THR 8 1HG2 THR 8 -13.350 -1.844 0.246 59 2HG2 THR 8 2HG2 THR 8 -14.076 -3.450 0.233 60 3HG2 THR 8 3HG2 THR 8 -14.063 -2.476 -1.237 61 H SER 9 H SER 9 -11.839 0.099 -1.390 62 HA SER 9 HA SER 9 -11.331 1.364 -3.401 63 1HB SER 9 2HB SER 9 -10.673 -0.534 -4.768 64 2HB SER 9 1HB SER 9 -12.342 -1.101 -4.825 65 HG SER 9 HG SER 9 -12.470 0.107 -6.535 66 HA PRO 10 HA PRO 10 -16.109 1.285 -3.447 67 1HB PRO 10 2HB PRO 10 -17.050 1.693 -0.942 68 2HB PRO 10 1HB PRO 10 -16.842 0.088 -1.648 69 1HG PRO 10 2HG PRO 10 -15.173 1.505 0.356 70 2HG PRO 10 1HG PRO 10 -15.498 -0.225 0.181 71 1HD PRO 10 2HD PRO 10 -13.186 1.087 -0.627 72 2HD PRO 10 1HD PRO 10 -13.708 -0.521 -1.158 73 H ILE 11 H ILE 11 -15.744 3.134 -0.474 74 HA ILE 11 HA ILE 11 -15.069 5.581 -1.835 75 HB ILE 11 HB ILE 11 -17.426 5.476 -2.388 76 1HG1 ILE 11 2HG1 ILE 11 -16.838 7.490 -0.208 77 2HG1 ILE 11 1HG1 ILE 11 -16.487 7.682 -1.923 78 1HG2 ILE 11 1HG2 ILE 11 -18.137 5.557 0.520 79 2HG2 ILE 11 2HG2 ILE 11 -17.930 4.023 -0.326 80 3HG2 ILE 11 3HG2 ILE 11 -19.159 5.169 -0.864 81 1HD1 ILE 11 1HD1 ILE 11 -18.428 8.935 -1.505 82 2HD1 ILE 11 2HD1 ILE 11 -19.163 7.633 -0.570 83 3HD1 ILE 11 3HD1 ILE 11 -18.973 7.467 -2.315 84 H SER 12 H SER 12 -14.194 7.050 -0.490 85 HA SER 12 HA SER 12 -14.742 6.989 2.355 86 1HB SER 12 2HB SER 12 -11.849 6.742 1.623 87 2HB SER 12 1HB SER 12 -12.663 6.321 3.130 88 HG SER 12 HG SER 12 -11.957 4.560 1.617 89 H ALA 13 H ALA 13 -12.673 8.505 3.285 90 HA ALA 13 HA ALA 13 -12.859 10.960 1.664 91 1HB ALA 13 1HB ALA 13 -14.014 10.646 4.075 92 2HB ALA 13 2HB ALA 13 -13.427 12.194 3.467 93 3HB ALA 13 3HB ALA 13 -12.430 11.244 4.568 94 H VAL 14 H VAL 14 -10.801 9.506 0.964 95 HA VAL 14 HA VAL 14 -8.479 9.497 2.468 96 HB VAL 14 HB VAL 14 -7.334 9.769 0.107 97 1HG1 VAL 14 1HG1 VAL 14 -9.036 7.335 0.490 98 2HG1 VAL 14 2HG1 VAL 14 -7.712 7.706 1.595 99 3HG1 VAL 14 3HG1 VAL 14 -7.386 7.457 -0.120 100 1HG2 VAL 14 1HG2 VAL 14 -9.935 10.333 -0.612 101 2HG2 VAL 14 2HG2 VAL 14 -9.742 8.645 -1.079 102 3HG2 VAL 14 3HG2 VAL 14 -8.635 9.864 -1.701 103 H THR 15 H THR 15 -8.014 11.558 -0.306 104 HA THR 15 HA THR 15 -6.936 13.566 -0.455 105 HB THR 15 HB THR 15 -8.171 15.423 0.668 106 HG1 THR 15 1HG THR 15 -8.746 13.944 2.506 107 1HG2 THR 15 1HG2 THR 15 -9.396 15.260 -1.172 108 2HG2 THR 15 2HG2 THR 15 -10.548 14.338 -0.205 109 3HG2 THR 15 3HG2 THR 15 -9.324 13.498 -1.159 110 H CYS 16 H CYS 16 -4.916 13.118 0.407 111 HA CYS 16 HA CYS 16 -4.541 13.966 3.204 112 1HB CYS 16 2HB CYS 16 -4.163 11.510 2.770 113 2HB CYS 16 1HB CYS 16 -2.785 11.971 1.774 114 HA PRO 17 HA PRO 17 -0.751 15.666 0.893 115 1HB PRO 17 2HB PRO 17 -0.768 15.073 -1.898 116 2HB PRO 17 1HB PRO 17 0.308 14.425 -0.661 117 1HG PRO 17 2HG PRO 17 -1.588 12.960 -2.054 118 2HG PRO 17 1HG PRO 17 -0.858 12.483 -0.513 119 1HD PRO 17 2HD PRO 17 -3.512 13.744 -1.047 120 2HD PRO 17 1HD PRO 17 -3.067 12.513 0.152 121 HA PRO 18 HA PRO 18 -3.388 18.982 -0.720 122 1HB PRO 18 2HB PRO 18 -2.064 21.005 0.522 123 2HB PRO 18 1HB PRO 18 -3.298 20.025 1.315 124 1HG PRO 18 2HG PRO 18 -0.356 19.963 1.613 125 2HG PRO 18 1HG PRO 18 -1.616 19.545 2.781 126 1HD PRO 18 2HD PRO 18 -0.080 17.745 1.280 127 2HD PRO 18 1HD PRO 18 -1.554 17.366 2.187 128 H GLY 19 H GLY 19 0.044 19.811 -0.244 129 1HA GLY 19 2HA GLY 19 0.262 20.285 -3.141 130 2HA GLY 19 1HA GLY 19 0.802 21.513 -1.998 131 H GLU 20 H GLU 20 1.245 18.292 -1.008 132 HA GLU 20 HA GLU 20 3.590 17.490 -2.210 133 1HB GLU 20 2HB GLU 20 4.075 19.797 -0.694 134 2HB GLU 20 1HB GLU 20 4.678 18.473 0.293 135 1HG GLU 20 2HG GLU 20 5.487 18.191 -2.466 136 2HG GLU 20 1HG GLU 20 5.992 19.739 -1.791 137 H ASN 21 H ASN 21 5.069 16.453 -0.130 138 HA ASN 21 HA ASN 21 5.204 14.767 1.346 139 1HB ASN 21 2HB ASN 21 3.801 14.719 3.187 140 2HB ASN 21 1HB ASN 21 3.624 16.375 2.618 141 1HD2 ASN 21 1HD2 ASN 21 1.631 17.041 2.808 142 2HD2 ASN 21 2HD2 ASN 21 0.204 16.108 2.529 143 H LEU 22 H LEU 22 3.422 14.598 -1.326 144 HA LEU 22 HA LEU 22 2.215 12.994 -2.433 145 1HB LEU 22 2HB LEU 22 4.094 10.998 -1.271 146 2HB LEU 22 1HB LEU 22 3.560 11.193 -2.926 147 HG LEU 22 HG LEU 22 5.691 12.723 -1.463 148 1HD1 LEU 22 1HD1 LEU 22 5.800 11.489 -4.195 149 2HD1 LEU 22 2HD1 LEU 22 6.107 10.549 -2.736 150 3HD1 LEU 22 3HD1 LEU 22 7.131 11.931 -3.125 151 1HD2 LEU 22 1HD2 LEU 22 3.907 13.703 -3.552 152 2HD2 LEU 22 2HD2 LEU 22 5.613 13.810 -3.985 153 3HD2 LEU 22 3HD2 LEU 22 5.028 14.582 -2.512 154 H CYS 23 H CYS 23 1.954 10.247 -1.964 155 HA CYS 23 HA CYS 23 0.217 10.164 0.414 156 1HB CYS 23 2HB CYS 23 -0.520 9.891 -2.284 157 2HB CYS 23 1HB CYS 23 -0.544 8.255 -1.630 158 H TYR 24 H TYR 24 2.906 8.830 -1.144 159 HA TYR 24 HA TYR 24 4.127 6.919 -0.925 160 1HB TYR 24 2HB TYR 24 3.304 7.748 1.786 161 2HB TYR 24 1HB TYR 24 3.932 6.115 1.658 162 HD1 TYR 24 1HD TYR 24 5.989 6.554 -0.478 163 HD2 TYR 24 2HD TYR 24 4.993 8.854 2.957 164 HE1 TYR 24 1HE TYR 24 8.278 7.440 -0.416 165 HE2 TYR 24 2HE TYR 24 7.281 9.748 3.028 166 HH TYR 24 HH TYR 24 9.171 10.082 1.552 167 H ARG 25 H ARG 25 4.001 4.604 0.384 168 HA ARG 25 HA ARG 25 1.607 3.298 0.756 169 1HB ARG 25 2HB ARG 25 0.942 3.777 -1.495 170 2HB ARG 25 1HB ARG 25 2.493 3.251 -2.131 171 1HG ARG 25 2HG ARG 25 1.957 0.948 -1.368 172 2HG ARG 25 1HG ARG 25 0.355 1.523 -0.904 173 1HD ARG 25 2HD ARG 25 -0.353 1.690 -3.049 174 2HD ARG 25 1HD ARG 25 1.235 2.160 -3.650 175 HE ARG 25 HE ARG 25 0.170 -0.508 -3.454 176 1HH1 ARG 25 1HH1 ARG 25 3.068 1.426 -3.681 177 2HH1 ARG 25 2HH1 ARG 25 4.024 0.140 -4.337 178 1HH2 ARG 25 1HH2 ARG 25 1.429 -2.201 -4.316 179 2HH2 ARG 25 2HH2 ARG 25 3.095 -1.918 -4.696 180 H LYS 26 H LYS 26 2.801 2.162 2.243 181 HA LYS 26 HA LYS 26 5.262 0.891 1.746 182 1HB LYS 26 2HB LYS 26 4.577 1.287 4.011 183 2HB LYS 26 1HB LYS 26 3.097 0.368 3.788 184 1HG LYS 26 2HG LYS 26 4.351 -1.686 3.615 185 2HG LYS 26 1HG LYS 26 5.872 -0.798 3.714 186 1HD LYS 26 2HD LYS 26 3.758 -0.977 5.859 187 2HD LYS 26 1HD LYS 26 5.323 -1.793 5.865 188 1HE LYS 26 2HE LYS 26 6.096 -0.023 6.978 189 2HE LYS 26 1HE LYS 26 5.970 0.865 5.458 190 1HZ LYS 26 1HZ LYS 26 4.771 2.170 6.903 191 2HZ LYS 26 2HZ LYS 26 4.134 0.858 7.759 192 3HZ LYS 26 3HZ LYS 26 3.543 1.230 6.218 193 H MET 27 H MET 27 5.599 -1.499 1.787 194 HA MET 27 HA MET 27 3.439 -3.125 0.769 195 1HB MET 27 2HB MET 27 4.266 -2.069 -1.280 196 2HB MET 27 1HB MET 27 5.903 -2.588 -0.905 197 1HG MET 27 2HG MET 27 5.276 -4.899 -1.171 198 2HG MET 27 1HG MET 27 3.592 -4.445 -1.418 199 1HE MET 27 1HE MET 27 7.046 -4.352 -4.344 200 2HE MET 27 2HE MET 27 7.076 -4.689 -2.613 201 3HE MET 27 3HE MET 27 7.094 -3.022 -3.189 202 H TRP 28 H TRP 28 4.132 -5.421 0.499 203 HA TRP 28 HA TRP 28 6.330 -6.044 2.357 204 1HB TRP 28 2HB TRP 28 3.652 -6.732 2.582 205 2HB TRP 28 1HB TRP 28 4.402 -8.195 1.957 206 HD1 TRP 28 HD TRP 28 3.354 -7.113 5.092 207 HE1 TRP 28 1HE TRP 28 4.860 -7.892 7.028 208 HE3 TRP 28 3HE TRP 28 7.534 -8.360 2.421 209 HZ2 TRP 28 2HZ TRP 28 7.472 -8.900 7.378 210 HZ3 TRP 28 3HZ TRP 28 9.492 -9.223 3.633 211 HH2 TRP 28 HH TRP 28 9.462 -9.487 6.061 212 H CYS 29 H CYS 29 4.484 -7.989 0.014 213 HA CYS 29 HA CYS 29 5.150 -9.375 -1.660 214 1HB CYS 29 2HB CYS 29 7.077 -7.121 -1.786 215 2HB CYS 29 1HB CYS 29 7.524 -8.587 -2.660 216 H ASP 30 H ASP 30 5.571 -10.470 0.721 217 HA ASP 30 HA ASP 30 8.329 -11.334 0.980 218 1HB ASP 30 2HB ASP 30 7.473 -12.611 2.941 219 2HB ASP 30 1HB ASP 30 7.124 -10.888 3.028 220 H ALA 31 H ALA 31 8.919 -13.595 1.057 221 HA ALA 31 HA ALA 31 9.087 -15.656 0.109 222 1HB ALA 31 1HB ALA 31 6.674 -16.710 -0.296 223 2HB ALA 31 2HB ALA 31 6.211 -15.372 0.756 224 3HB ALA 31 3HB ALA 31 7.387 -16.563 1.310 225 H PHE 32 H PHE 32 9.557 -13.796 -1.727 226 HA PHE 32 HA PHE 32 9.595 -13.339 -3.958 227 1HB PHE 32 2HB PHE 32 9.666 -16.070 -3.701 228 2HB PHE 32 1HB PHE 32 8.307 -15.847 -4.798 229 HD1 PHE 32 1HD PHE 32 9.211 -13.474 -6.316 230 HD2 PHE 32 2HD PHE 32 11.335 -16.940 -5.058 231 HE1 PHE 32 1HE PHE 32 10.773 -13.194 -8.196 232 HE2 PHE 32 2HE PHE 32 12.903 -16.665 -6.934 233 HZ PHE 32 HZ PHE 32 12.623 -14.790 -8.506 234 H CYS 33 H CYS 33 8.122 -11.705 -4.192 235 HA CYS 33 HA CYS 33 5.354 -11.913 -4.025 236 1HB CYS 33 2HB CYS 33 7.110 -9.859 -4.416 237 2HB CYS 33 1HB CYS 33 6.331 -9.949 -5.992 238 H SER 34 H SER 34 7.024 -11.333 -7.119 239 HA SER 34 HA SER 34 6.532 -11.970 -9.244 240 1HB SER 34 2HB SER 34 7.320 -14.126 -8.618 241 2HB SER 34 1HB SER 34 5.843 -14.486 -7.724 242 HG SER 34 HG SER 34 4.764 -14.776 -9.597 243 H SER 35 H SER 35 3.923 -13.927 -7.886 244 HA SER 35 HA SER 35 2.012 -12.314 -9.421 245 1HB SER 35 2HB SER 35 0.563 -14.216 -9.415 246 2HB SER 35 1HB SER 35 2.180 -14.820 -9.786 247 HG SER 35 HG SER 35 0.916 -15.991 -8.136 248 H ARG 36 H ARG 36 3.152 -11.669 -6.720 249 HA ARG 36 HA ARG 36 0.608 -11.498 -5.247 250 1HB ARG 36 2HB ARG 36 3.111 -12.567 -4.421 251 2HB ARG 36 1HB ARG 36 2.838 -11.093 -3.502 252 1HG ARG 36 2HG ARG 36 1.950 -12.908 -2.253 253 2HG ARG 36 1HG ARG 36 0.590 -11.981 -2.887 254 1HD ARG 36 2HD ARG 36 -0.080 -13.649 -4.266 255 2HD ARG 36 1HD ARG 36 1.566 -14.204 -4.571 256 HE ARG 36 HE ARG 36 0.652 -14.733 -1.900 257 1HH1 ARG 36 1HH1 ARG 36 0.703 -15.912 -5.185 258 2HH1 ARG 36 2HH1 ARG 36 0.473 -17.565 -4.726 259 1HH2 ARG 36 1HH2 ARG 36 0.353 -16.908 -1.296 260 2HH2 ARG 36 2HH2 ARG 36 0.279 -18.132 -2.518 261 H GLY 37 H GLY 37 1.501 -9.681 -3.291 262 1HA GLY 37 2HA GLY 37 2.658 -7.477 -3.337 263 2HA GLY 37 1HA GLY 37 1.991 -7.285 -4.950 264 H LYS 38 H LYS 38 -0.178 -8.819 -2.847 265 HA LYS 38 HA LYS 38 -1.897 -6.503 -2.843 266 1HB LYS 38 2HB LYS 38 -3.564 -7.980 -1.878 267 2HB LYS 38 1HB LYS 38 -2.788 -8.768 -3.245 268 1HG LYS 38 2HG LYS 38 -1.433 -9.368 -0.761 269 2HG LYS 38 1HG LYS 38 -3.139 -9.810 -0.703 270 1HD LYS 38 2HD LYS 38 -1.173 -10.643 -2.836 271 2HD LYS 38 1HD LYS 38 -1.752 -11.661 -1.516 272 1HE LYS 38 2HE LYS 38 -3.287 -10.582 -3.862 273 2HE LYS 38 1HE LYS 38 -3.052 -12.262 -3.384 274 1HZ LYS 38 1HZ LYS 38 -5.265 -11.542 -2.826 275 2HZ LYS 38 2HZ LYS 38 -4.666 -10.237 -1.933 276 3HZ LYS 38 3HZ LYS 38 -4.395 -11.820 -1.401 277 H VAL 39 H VAL 39 0.127 -5.603 -1.497 278 HA VAL 39 HA VAL 39 -0.644 -5.770 1.343 279 HB VAL 39 HB VAL 39 2.124 -5.152 0.312 280 1HG1 VAL 39 1HG1 VAL 39 2.733 -4.769 2.436 281 2HG1 VAL 39 2HG1 VAL 39 1.750 -6.093 3.060 282 3HG1 VAL 39 3HG1 VAL 39 1.009 -4.530 2.722 283 1HG2 VAL 39 1HG2 VAL 39 1.302 -7.707 1.657 284 2HG2 VAL 39 2HG2 VAL 39 2.785 -7.353 0.772 285 3HG2 VAL 39 3HG2 VAL 39 1.260 -7.523 -0.097 286 H VAL 40 H VAL 40 -0.870 -3.852 2.453 287 HA VAL 40 HA VAL 40 -0.199 -1.366 1.066 288 HB VAL 40 HB VAL 40 -2.404 -0.386 1.568 289 1HG1 VAL 40 1HG1 VAL 40 -2.326 -2.841 -0.166 290 2HG1 VAL 40 2HG1 VAL 40 -2.143 -1.154 -0.647 291 3HG1 VAL 40 3HG1 VAL 40 -3.714 -1.754 -0.115 292 1HG2 VAL 40 1HG2 VAL 40 -4.209 -1.601 2.426 293 2HG2 VAL 40 2HG2 VAL 40 -2.847 -2.092 3.433 294 3HG2 VAL 40 3HG2 VAL 40 -3.417 -3.151 2.145 295 H GLU 41 H GLU 41 -1.021 0.530 2.648 296 HA GLU 41 HA GLU 41 -1.111 0.258 5.380 297 1HB GLU 41 2HB GLU 41 1.451 -0.472 4.440 298 2HB GLU 41 1HB GLU 41 1.635 1.101 5.201 299 1HG GLU 41 2HG GLU 41 0.543 -1.411 6.439 300 2HG GLU 41 1HG GLU 41 2.049 -0.584 6.833 301 H LEU 42 H LEU 42 0.014 2.084 2.631 302 HA LEU 42 HA LEU 42 -0.193 4.285 2.088 303 1HB LEU 42 2HB LEU 42 -1.678 4.615 4.695 304 2HB LEU 42 1HB LEU 42 -1.686 5.719 3.335 305 HG LEU 42 HG LEU 42 -2.792 2.914 3.240 306 1HD1 LEU 42 1HD1 LEU 42 -4.590 5.243 3.108 307 2HD1 LEU 42 2HD1 LEU 42 -3.886 4.897 4.688 308 3HD1 LEU 42 3HD1 LEU 42 -4.827 3.661 3.852 309 1HD2 LEU 42 1HD2 LEU 42 -3.650 3.471 1.120 310 2HD2 LEU 42 2HD2 LEU 42 -1.975 4.023 1.105 311 3HD2 LEU 42 3HD2 LEU 42 -3.284 5.183 1.332 312 H GLY 43 H GLY 43 0.696 6.405 2.645 313 1HA GLY 43 2HA GLY 43 2.439 6.372 5.012 314 2HA GLY 43 1HA GLY 43 3.153 6.653 3.431 315 H CYS 44 H CYS 44 1.953 8.504 2.160 316 HA CYS 44 HA CYS 44 1.673 10.776 2.052 317 1HB CYS 44 2HB CYS 44 -0.536 9.990 2.988 318 2HB CYS 44 1HB CYS 44 0.076 10.386 4.594 319 H ALA 45 H ALA 45 3.878 11.305 2.473 320 HA ALA 45 HA ALA 45 4.250 12.764 4.955 321 1HB ALA 45 1HB ALA 45 5.795 11.469 5.948 322 2HB ALA 45 2HB ALA 45 6.521 10.981 4.416 323 3HB ALA 45 3HB ALA 45 5.056 10.185 4.991 324 H ALA 46 H ALA 46 6.092 14.149 4.962 325 HA ALA 46 HA ALA 46 6.738 15.125 2.312 326 1HB ALA 46 1HB ALA 46 7.508 16.218 5.014 327 2HB ALA 46 2HB ALA 46 6.092 16.696 4.077 328 3HB ALA 46 3HB ALA 46 7.711 17.033 3.463 329 H THR 47 H THR 47 8.029 13.299 1.664 330 HA THR 47 HA THR 47 10.801 13.772 1.983 331 HB THR 47 HB THR 47 10.771 12.697 4.059 332 HG1 THR 47 1HG THR 47 12.358 11.639 3.081 333 1HG2 THR 47 1HG2 THR 47 8.442 11.375 3.100 334 2HG2 THR 47 2HG2 THR 47 9.063 11.490 4.747 335 3HG2 THR 47 3HG2 THR 47 9.589 10.176 3.694 336 H CYS 48 H CYS 48 12.029 11.659 1.068 337 HA CYS 48 HA CYS 48 10.754 9.944 -0.707 338 1HB CYS 48 2HB CYS 48 10.453 12.427 -1.718 339 2HB CYS 48 1HB CYS 48 12.012 12.012 -2.420 340 HA PRO 49 HA PRO 49 15.562 10.367 -1.807 341 1HB PRO 49 2HB PRO 49 16.295 11.687 0.766 342 2HB PRO 49 1HB PRO 49 17.021 11.866 -0.835 343 1HG PRO 49 2HG PRO 49 15.439 13.765 0.148 344 2HG PRO 49 1HG PRO 49 15.369 13.323 -1.568 345 1HD PRO 49 2HD PRO 49 13.487 12.644 0.644 346 2HD PRO 49 1HD PRO 49 13.142 13.002 -1.060 347 H SER 50 H SER 50 14.479 8.258 -1.181 348 HA SER 50 HA SER 50 15.632 7.202 1.311 349 1HB SER 50 2HB SER 50 13.236 7.201 1.476 350 2HB SER 50 1HB SER 50 13.067 6.499 -0.132 351 HG SER 50 HG SER 50 13.301 4.598 0.721 352 H LYS 51 H LYS 51 14.178 5.533 -1.461 353 HA LYS 51 HA LYS 51 14.946 3.874 -2.812 354 1HB LYS 51 2HB LYS 51 17.152 5.794 -2.595 355 2HB LYS 51 1HB LYS 51 17.669 4.177 -3.049 356 1HG LYS 51 2HG LYS 51 15.712 4.360 -4.774 357 2HG LYS 51 1HG LYS 51 15.926 6.092 -4.516 358 1HD LYS 51 2HD LYS 51 18.207 4.253 -5.208 359 2HD LYS 51 1HD LYS 51 17.232 5.068 -6.432 360 1HE LYS 51 2HE LYS 51 18.619 6.541 -4.206 361 2HE LYS 51 1HE LYS 51 19.389 6.215 -5.758 362 1HZ LYS 51 1HZ LYS 51 18.492 8.224 -6.220 363 2HZ LYS 51 2HZ LYS 51 17.228 8.062 -5.106 364 3HZ LYS 51 3HZ LYS 51 17.138 7.286 -6.606 365 H LYS 52 H LYS 52 14.791 3.359 0.014 366 HA LYS 52 HA LYS 52 17.042 1.952 0.967 367 1HB LYS 52 2HB LYS 52 14.198 2.212 1.732 368 2HB LYS 52 1HB LYS 52 15.000 0.746 2.276 369 1HG LYS 52 2HG LYS 52 15.550 2.020 4.039 370 2HG LYS 52 1HG LYS 52 16.845 2.575 2.976 371 1HD LYS 52 2HD LYS 52 15.651 4.534 2.390 372 2HD LYS 52 1HD LYS 52 14.157 3.921 3.101 373 1HE LYS 52 2HE LYS 52 14.745 5.191 4.858 374 2HE LYS 52 1HE LYS 52 15.816 3.844 5.242 375 1HZ LYS 52 1HZ LYS 52 17.447 5.120 3.703 376 2HZ LYS 52 2HZ LYS 52 17.243 5.621 5.306 377 3HZ LYS 52 3HZ LYS 52 16.467 6.452 4.055 378 HA PRO 53 HA PRO 53 17.027 -1.969 -1.015 379 1HB PRO 53 2HB PRO 53 16.866 -3.352 1.597 380 2HB PRO 53 1HB PRO 53 18.116 -3.437 0.354 381 1HG PRO 53 2HG PRO 53 18.531 -2.133 2.652 382 2HG PRO 53 1HG PRO 53 19.197 -1.542 1.118 383 1HD PRO 53 2HD PRO 53 16.818 -0.576 2.653 384 2HD PRO 53 1HD PRO 53 18.040 0.355 1.762 385 H TYR 54 H TYR 54 15.123 -2.658 1.926 386 HA TYR 54 HA TYR 54 13.209 -4.201 0.427 387 1HB TYR 54 2HB TYR 54 12.116 -3.614 2.963 388 2HB TYR 54 1HB TYR 54 12.962 -5.084 2.476 389 HD1 TYR 54 1HD TYR 54 15.276 -5.432 3.041 390 HD2 TYR 54 2HD TYR 54 13.278 -1.855 4.160 391 HE1 TYR 54 1HE TYR 54 17.158 -4.849 4.492 392 HE2 TYR 54 2HE TYR 54 15.143 -1.258 5.627 393 HH TYR 54 HH TYR 54 18.148 -2.923 5.556 394 H GLU 55 H GLU 55 13.557 -0.888 1.031 395 HA GLU 55 HA GLU 55 12.270 0.924 0.580 396 1HB GLU 55 2HB GLU 55 10.810 -1.200 -0.959 397 2HB GLU 55 1HB GLU 55 10.167 0.434 -0.863 398 1HG GLU 55 2HG GLU 55 11.820 1.316 -2.156 399 2HG GLU 55 1HG GLU 55 13.005 0.108 -1.658 400 H GLU 56 H GLU 56 9.588 -1.387 0.753 401 HA GLU 56 HA GLU 56 7.784 -1.520 2.132 402 1HB GLU 56 2HB GLU 56 9.775 -1.915 3.732 403 2HB GLU 56 1HB GLU 56 9.455 -0.283 4.301 404 1HG GLU 56 2HG GLU 56 7.313 -0.871 5.090 405 2HG GLU 56 1HG GLU 56 7.342 -2.413 4.236 406 H VAL 57 H VAL 57 8.438 1.020 0.673 407 HA VAL 57 HA VAL 57 6.331 2.613 1.815 408 HB VAL 57 HB VAL 57 9.163 3.672 1.770 409 1HG1 VAL 57 1HG1 VAL 57 8.172 5.826 2.491 410 2HG1 VAL 57 2HG1 VAL 57 6.572 5.166 2.147 411 3HG1 VAL 57 3HG1 VAL 57 7.741 5.370 0.843 412 1HG2 VAL 57 1HG2 VAL 57 8.486 4.277 4.168 413 2HG2 VAL 57 2HG2 VAL 57 8.839 2.587 3.810 414 3HG2 VAL 57 3HG2 VAL 57 7.166 3.130 3.939 415 H THR 58 H THR 58 9.109 3.535 -0.182 416 HA THR 58 HA THR 58 9.294 4.279 -2.319 417 HB THR 58 HB THR 58 6.839 2.958 -3.283 418 HG1 THR 58 1HG THR 58 8.869 1.550 -1.915 419 1HG2 THR 58 1HG2 THR 58 8.023 2.865 -5.140 420 2HG2 THR 58 2HG2 THR 58 9.228 1.854 -4.340 421 3HG2 THR 58 3HG2 THR 58 9.385 3.611 -4.304 422 H CYS 59 H CYS 59 8.902 6.316 -2.850 423 HA CYS 59 HA CYS 59 6.794 7.875 -1.996 424 1HB CYS 59 2HB CYS 59 8.909 8.124 -4.027 425 2HB CYS 59 1HB CYS 59 7.489 9.129 -4.323 426 H CYS 60 H CYS 60 4.790 8.415 -2.745 427 HA CYS 60 HA CYS 60 3.836 6.863 -5.056 428 1HB CYS 60 2HB CYS 60 2.785 6.262 -2.888 429 2HB CYS 60 1HB CYS 60 2.204 7.916 -2.735 430 H SER 61 H SER 61 2.249 9.574 -3.445 431 HA SER 61 HA SER 61 1.504 11.582 -4.184 432 1HB SER 61 2HB SER 61 3.855 12.070 -4.662 433 2HB SER 61 1HB SER 61 3.716 11.280 -6.234 434 HG SER 61 HG SER 61 3.301 13.284 -6.809 435 H THR 62 H THR 62 1.559 12.356 -7.104 436 HA THR 62 HA THR 62 0.031 12.340 -8.776 437 HB THR 62 HB THR 62 1.042 10.730 -9.989 438 HG1 THR 62 1HG THR 62 -0.303 8.964 -10.374 439 1HG2 THR 62 1HG2 THR 62 1.833 8.627 -9.284 440 2HG2 THR 62 2HG2 THR 62 0.835 8.655 -7.832 441 3HG2 THR 62 3HG2 THR 62 2.196 9.764 -7.988 442 H ASP 63 H ASP 63 -1.071 9.183 -7.589 443 HA ASP 63 HA ASP 63 -3.415 10.366 -6.366 444 1HB ASP 63 2HB ASP 63 -4.960 8.983 -7.828 445 2HB ASP 63 1HB ASP 63 -4.223 10.385 -8.597 446 H LYS 64 H LYS 64 -2.383 9.260 -4.573 447 HA LYS 64 HA LYS 64 -1.949 7.491 -3.173 448 1HB LYS 64 2HB LYS 64 -4.627 7.823 -3.606 449 2HB LYS 64 1HB LYS 64 -4.423 6.104 -3.917 450 1HG LYS 64 2HG LYS 64 -3.332 7.371 -1.434 451 2HG LYS 64 1HG LYS 64 -5.010 6.841 -1.540 452 1HD LYS 64 2HD LYS 64 -4.130 4.906 -0.759 453 2HD LYS 64 1HD LYS 64 -3.793 4.643 -2.471 454 1HE LYS 64 2HE LYS 64 -1.552 5.718 -2.083 455 2HE LYS 64 1HE LYS 64 -1.908 5.664 -0.357 456 1HZ LYS 64 1HZ LYS 64 -2.385 3.149 -0.986 457 2HZ LYS 64 2HZ LYS 64 -0.845 3.696 -0.553 458 3HZ LYS 64 3HZ LYS 64 -1.241 3.496 -2.184 459 H CYS 65 H CYS 65 -1.118 7.014 -6.040 460 HA CYS 65 HA CYS 65 -0.073 5.345 -7.171 461 1HB CYS 65 2HB CYS 65 -0.696 3.221 -5.194 462 2HB CYS 65 1HB CYS 65 0.807 3.571 -6.029 463 H ASN 66 H ASN 66 -3.098 4.358 -5.600 464 HA ASN 66 HA ASN 66 -4.899 3.211 -6.311 465 1HB ASN 66 2HB ASN 66 -4.402 5.076 -8.218 466 2HB ASN 66 1HB ASN 66 -4.353 3.603 -9.184 467 1HD2 ASN 66 1HD2 ASN 66 -6.312 4.441 -6.350 468 2HD2 ASN 66 2HD2 ASN 66 -7.838 4.246 -7.134 469 HA PRO 67 HA PRO 67 -2.477 -0.431 -7.881 470 1HB PRO 67 2HB PRO 67 -1.563 -1.451 -5.492 471 2HB PRO 67 1HB PRO 67 -0.634 -0.377 -6.539 472 1HG PRO 67 2HG PRO 67 -1.691 0.169 -3.925 473 2HG PRO 67 1HG PRO 67 -0.726 1.228 -4.963 474 1HD PRO 67 2HD PRO 67 -3.644 1.173 -4.530 475 2HD PRO 67 1HD PRO 67 -2.611 2.491 -5.111 476 H HIS 68 H HIS 68 -3.638 -0.814 -4.535 477 HA HIS 68 HA HIS 68 -5.181 -2.193 -3.596 478 1HB HIS 68 2HB HIS 68 -6.457 -1.645 -6.272 479 2HB HIS 68 1HB HIS 68 -7.264 -2.584 -5.024 480 HD1 HIS 68 1HD HIS 68 -7.143 -1.129 -2.556 481 HD2 HIS 68 2HD HIS 68 -7.248 0.926 -6.165 482 HE1 HIS 68 1HE HIS 68 -7.944 1.184 -1.987 483 HE2 HIS 68 2HE HIS 68 -7.925 2.435 -4.174 484 HA PRO 69 HA PRO 69 -4.656 -6.541 -4.117 485 1HB PRO 69 2HB PRO 69 -7.468 -6.575 -5.180 486 2HB PRO 69 1HB PRO 69 -6.675 -7.717 -4.085 487 1HG PRO 69 2HG PRO 69 -8.277 -5.810 -3.134 488 2HG PRO 69 1HG PRO 69 -6.797 -6.274 -2.276 489 1HD PRO 69 2HD PRO 69 -7.402 -3.801 -3.761 490 2HD PRO 69 1HD PRO 69 -6.187 -4.089 -2.503 491 H LYS 70 H LYS 70 -3.439 -7.340 -5.677 492 HA LYS 70 HA LYS 70 -4.073 -6.727 -8.466 493 1HB LYS 70 2HB LYS 70 -1.705 -7.862 -8.735 494 2HB LYS 70 1HB LYS 70 -1.860 -6.189 -8.227 495 1HG LYS 70 2HG LYS 70 -0.206 -7.324 -6.884 496 2HG LYS 70 1HG LYS 70 -1.592 -6.882 -5.887 497 1HD LYS 70 2HD LYS 70 -0.878 -9.124 -5.333 498 2HD LYS 70 1HD LYS 70 -2.452 -9.186 -6.125 499 1HE LYS 70 2HE LYS 70 -0.599 -9.364 -8.200 500 2HE LYS 70 1HE LYS 70 0.062 -10.373 -6.917 501 1HZ LYS 70 1HZ LYS 70 -2.360 -10.724 -8.493 502 2HZ LYS 70 2HZ LYS 70 -2.451 -11.176 -6.866 503 3HZ LYS 70 3HZ LYS 70 -1.293 -11.884 -7.876 504 H GLN 71 H GLN 71 -4.568 -9.183 -6.272 505 HA GLN 71 HA GLN 71 -4.128 -11.432 -7.993 506 1HB GLN 71 2HB GLN 71 -4.015 -11.656 -5.561 507 2HB GLN 71 1HB GLN 71 -5.706 -11.194 -5.427 508 1HG GLN 71 2HG GLN 71 -6.412 -13.256 -5.859 509 2HG GLN 71 1HG GLN 71 -5.308 -13.443 -7.219 510 1HE2 GLN 71 1HE2 GLN 71 -3.701 -14.834 -6.996 511 2HE2 GLN 71 2HE2 GLN 71 -3.133 -15.492 -5.504 512 H ARG 72 H ARG 72 -6.619 -9.115 -7.686 513 HA ARG 72 HA ARG 72 -8.841 -10.690 -8.413 514 1HB ARG 72 2HB ARG 72 -8.463 -7.744 -8.950 515 2HB ARG 72 1HB ARG 72 -9.985 -8.612 -8.851 516 1HG ARG 72 2HG ARG 72 -8.096 -8.496 -6.529 517 2HG ARG 72 1HG ARG 72 -9.265 -7.211 -6.844 518 1HD ARG 72 2HD ARG 72 -10.407 -8.597 -5.376 519 2HD ARG 72 1HD ARG 72 -10.993 -9.129 -6.952 520 HE ARG 72 HE ARG 72 -8.758 -10.672 -6.233 521 1HH1 ARG 72 1HH1 ARG 72 -12.091 -10.189 -5.313 522 2HH1 ARG 72 2HH1 ARG 72 -12.293 -11.804 -4.725 523 1HH2 ARG 72 1HH2 ARG 72 -9.025 -12.798 -5.456 524 2HH2 ARG 72 2HH2 ARG 72 -10.553 -13.284 -4.805 525 HA PRO 73 HA PRO 73 -8.073 -9.177 -12.963 526 1HB PRO 73 2HB PRO 73 -5.532 -8.341 -13.531 527 2HB PRO 73 1HB PRO 73 -6.850 -7.244 -13.103 528 1HG PRO 73 2HG PRO 73 -4.666 -8.347 -11.377 529 2HG PRO 73 1HG PRO 73 -5.308 -6.695 -11.450 530 1HD PRO 73 2HD PRO 73 -6.026 -8.398 -9.503 531 2HD PRO 73 1HD PRO 73 -7.174 -7.230 -10.189 532 H GLY 74 H GLY 74 -5.084 -10.353 -11.410 533 1HA GLY 74 2HA GLY 74 -4.878 -12.420 -13.486 534 2HA GLY 74 1HA GLY 74 -3.596 -11.943 -12.376 535 1H TYR 181 1HT TYR 181 -3.169 -15.231 24.456 536 2H TYR 181 2HT TYR 181 -1.564 -15.799 24.668 537 3H TYR 181 3HT TYR 181 -2.626 -15.699 26.012 538 HA TYR 181 HA TYR 181 -2.236 -17.945 25.055 539 1HB TYR 181 2HB TYR 181 -4.197 -17.007 26.495 540 2HB TYR 181 1HB TYR 181 -5.128 -17.127 25.005 541 HD1 TYR 181 1HD TYR 181 -2.594 -19.348 26.630 542 HD2 TYR 181 2HD TYR 181 -6.538 -18.948 25.088 543 HE1 TYR 181 1HE TYR 181 -3.008 -21.728 27.088 544 HE2 TYR 181 2HE TYR 181 -6.964 -21.327 25.541 545 HH TYR 181 HH TYR 181 -4.817 -23.539 25.926 546 H ARG 182 H ARG 182 -4.772 -16.156 23.292 547 HA ARG 182 HA ARG 182 -3.741 -17.146 20.762 548 1HB ARG 182 2HB ARG 182 -5.246 -18.938 21.505 549 2HB ARG 182 1HB ARG 182 -6.549 -17.770 21.692 550 1HG ARG 182 2HG ARG 182 -6.861 -17.546 19.427 551 2HG ARG 182 1HG ARG 182 -5.211 -18.042 19.044 552 1HD ARG 182 2HD ARG 182 -6.427 -19.894 18.393 553 2HD ARG 182 1HD ARG 182 -5.948 -20.328 20.033 554 HE ARG 182 HE ARG 182 -8.148 -20.251 20.666 555 1HH1 ARG 182 1HH1 ARG 182 -7.804 -18.705 17.555 556 2HH1 ARG 182 2HH1 ARG 182 -9.510 -18.565 17.296 557 1HH2 ARG 182 1HH2 ARG 182 -10.393 -20.068 20.325 558 2HH2 ARG 182 2HH2 ARG 182 -10.981 -19.338 18.869 559 H GLY 183 H GLY 183 -3.427 -15.133 19.952 560 1HA GLY 183 2HA GLY 183 -5.799 -13.642 19.208 561 2HA GLY 183 1HA GLY 183 -4.719 -12.801 20.310 562 H TRP 184 H TRP 184 -4.060 -14.929 17.538 563 HA TRP 184 HA TRP 184 -2.697 -12.667 16.238 564 1HB TRP 184 2HB TRP 184 -1.138 -14.576 15.327 565 2HB TRP 184 1HB TRP 184 -0.839 -13.866 16.909 566 HD1 TRP 184 HD TRP 184 -2.895 -16.893 15.574 567 HE1 TRP 184 1HE TRP 184 -2.545 -18.855 17.203 568 HE3 TRP 184 3HE TRP 184 0.148 -14.591 18.975 569 HZ2 TRP 184 2HZ TRP 184 -1.160 -19.360 19.611 570 HZ3 TRP 184 3HZ TRP 184 0.942 -15.882 20.913 571 HH2 TRP 184 HH TRP 184 0.301 -18.217 21.223 572 H LYS 185 H LYS 185 -3.086 -12.399 14.111 573 HA LYS 185 HA LYS 185 -5.106 -14.099 12.901 574 1HB LYS 185 2HB LYS 185 -5.287 -12.386 11.207 575 2HB LYS 185 1HB LYS 185 -5.272 -11.622 12.789 576 1HG LYS 185 2HG LYS 185 -2.621 -11.876 11.598 577 2HG LYS 185 1HG LYS 185 -3.737 -10.891 10.650 578 1HD LYS 185 2HD LYS 185 -4.267 -9.664 12.803 579 2HD LYS 185 1HD LYS 185 -2.886 -10.502 13.512 580 1HE LYS 185 2HE LYS 185 -2.160 -8.344 12.770 581 2HE LYS 185 1HE LYS 185 -1.463 -9.561 11.703 582 1HZ LYS 185 1HZ LYS 185 -4.019 -8.455 10.877 583 2HZ LYS 185 2HZ LYS 185 -2.655 -8.835 9.953 584 3HZ LYS 185 3HZ LYS 185 -2.707 -7.388 10.826 585 H HIS 186 H HIS 186 -4.548 -13.905 10.221 586 HA HIS 186 HA HIS 186 -2.376 -15.817 9.977 587 1HB HIS 186 2HB HIS 186 -4.563 -16.242 8.887 588 2HB HIS 186 1HB HIS 186 -4.313 -14.824 7.872 589 HD1 HIS 186 1HD HIS 186 -1.965 -15.013 6.387 590 HD2 HIS 186 2HD HIS 186 -3.720 -18.529 7.738 591 HE1 HIS 186 1HE HIS 186 -1.009 -16.838 4.947 592 HE2 HIS 186 2HE HIS 186 -2.149 -18.945 5.727 593 H TRP 187 H TRP 187 -3.273 -13.307 7.628 594 HA TRP 187 HA TRP 187 -0.465 -12.740 7.215 595 1HB TRP 187 2HB TRP 187 -1.523 -11.177 5.418 596 2HB TRP 187 1HB TRP 187 -1.532 -12.917 5.171 597 HD1 TRP 187 HD TRP 187 -3.984 -10.343 6.766 598 HE1 TRP 187 1HE TRP 187 -6.364 -10.965 6.007 599 HE3 TRP 187 3HE TRP 187 -2.887 -14.474 3.960 600 HZ2 TRP 187 2HZ TRP 187 -7.611 -12.946 4.427 601 HZ3 TRP 187 3HZ TRP 187 -4.731 -15.675 2.858 602 HH2 TRP 187 HH TRP 187 -7.043 -14.926 3.089 603 H VAL 188 H VAL 188 0.162 -10.399 6.904 604 HA VAL 188 HA VAL 188 -0.516 -8.965 9.298 605 HB VAL 188 HB VAL 188 1.112 -7.565 7.280 606 1HG1 VAL 188 1HG1 VAL 188 2.155 -6.725 9.097 607 2HG1 VAL 188 2HG1 VAL 188 2.121 -8.262 9.963 608 3HG1 VAL 188 3HG1 VAL 188 0.675 -7.253 9.897 609 1HG2 VAL 188 1HG2 VAL 188 2.027 -9.608 6.666 610 2HG2 VAL 188 2HG2 VAL 188 1.852 -10.288 8.284 611 3HG2 VAL 188 3HG2 VAL 188 3.099 -9.083 7.964 612 H TYR 189 H TYR 189 -0.299 -7.726 5.953 613 HA TYR 189 HA TYR 189 -2.612 -6.014 6.547 614 1HB TYR 189 2HB TYR 189 -0.562 -5.661 4.356 615 2HB TYR 189 1HB TYR 189 -1.770 -4.491 4.888 616 HD1 TYR 189 1HD TYR 189 -1.371 -4.877 7.886 617 HD2 TYR 189 2HD TYR 189 1.392 -4.368 4.691 618 HE1 TYR 189 1HE TYR 189 0.260 -3.915 9.455 619 HE2 TYR 189 2HE TYR 189 3.029 -3.407 6.251 620 HH TYR 189 HH TYR 189 3.522 -3.457 8.664 621 H TYR 190 H TYR 190 -4.211 -5.682 4.904 622 HA TYR 190 HA TYR 190 -4.215 -7.315 2.537 623 1HB TYR 190 2HB TYR 190 -5.033 -8.667 4.689 624 2HB TYR 190 1HB TYR 190 -6.552 -7.886 4.257 625 HD1 TYR 190 1HD TYR 190 -7.908 -9.509 3.317 626 HD2 TYR 190 2HD TYR 190 -3.831 -9.292 2.125 627 HE1 TYR 190 1HE TYR 190 -8.320 -11.237 1.619 628 HE2 TYR 190 2HE TYR 190 -4.231 -11.021 0.421 629 HH TYR 190 HH TYR 190 -7.385 -12.055 -0.441 630 H THR 191 H THR 191 -4.767 -5.737 1.227 631 HA THR 191 HA THR 191 -6.900 -3.869 1.913 632 HB THR 191 HB THR 191 -5.052 -2.765 0.957 633 HG1 THR 191 1HG THR 191 -5.885 -1.926 -0.944 634 1HG2 THR 191 1HG2 THR 191 -4.237 -3.411 -1.371 635 2HG2 THR 191 2HG2 THR 191 -4.999 -4.970 -1.059 636 3HG2 THR 191 3HG2 THR 191 -3.707 -4.395 -0.005 637 H CYS 192 H CYS 192 -7.843 -6.450 1.615 638 HA CYS 192 HA CYS 192 -8.917 -6.718 -1.072 639 1HB CYS 192 2HB CYS 192 -9.303 -8.896 -0.575 640 2HB CYS 192 1HB CYS 192 -8.157 -8.596 0.716 641 H CYS 193 H CYS 193 -10.173 -6.680 2.177 642 HA CYS 193 HA CYS 193 -12.542 -5.225 1.314 643 1HB CYS 193 2HB CYS 193 -13.139 -7.679 2.827 644 2HB CYS 193 1HB CYS 193 -13.953 -6.997 1.424 645 HA PRO 194 HA PRO 194 -11.588 -4.011 5.587 646 1HB PRO 194 2HB PRO 194 -12.451 -1.443 5.344 647 2HB PRO 194 1HB PRO 194 -10.837 -1.978 4.873 648 1HG PRO 194 2HG PRO 194 -13.129 -1.232 3.191 649 2HG PRO 194 1HG PRO 194 -11.404 -1.255 2.804 650 1HD PRO 194 2HD PRO 194 -13.369 -3.178 2.079 651 2HD PRO 194 1HD PRO 194 -11.620 -3.257 1.799 652 H ASP 195 H ASP 195 -14.449 -2.356 4.193 653 HA ASP 195 HA ASP 195 -16.313 -3.955 5.591 654 1HB ASP 195 2HB ASP 195 -17.051 -2.169 7.234 655 2HB ASP 195 1HB ASP 195 -15.536 -2.995 7.605 656 H THR 196 H THR 196 -15.781 -2.134 3.045 657 HA THR 196 HA THR 196 -18.615 -1.461 2.794 658 HB THR 196 HB THR 196 -17.864 0.627 3.582 659 HG1 THR 196 1HG THR 196 -17.639 0.854 0.771 660 1HG2 THR 196 1HG2 THR 196 -15.898 1.711 2.131 661 2HG2 THR 196 2HG2 THR 196 -15.379 0.024 2.129 662 3HG2 THR 196 3HG2 THR 196 -15.636 0.868 3.657 663 HA PRO 197 HA PRO 197 -16.401 -2.802 -1.202 664 1HB PRO 197 2HB PRO 197 -16.835 -5.464 -1.188 665 2HB PRO 197 1HB PRO 197 -15.379 -4.764 -0.470 666 1HG PRO 197 2HG PRO 197 -17.891 -5.694 0.868 667 2HG PRO 197 1HG PRO 197 -16.205 -5.943 1.357 668 1HD PRO 197 2HD PRO 197 -17.814 -4.033 2.452 669 2HD PRO 197 1HD PRO 197 -16.051 -3.870 2.328 670 H TYR 198 H TYR 198 -19.113 -2.381 0.313 671 HA TYR 198 HA TYR 198 -21.077 -3.765 -1.209 672 1HB TYR 198 2HB TYR 198 -21.219 -3.023 1.212 673 2HB TYR 198 1HB TYR 198 -21.378 -1.370 0.619 674 HD1 TYR 198 1HD TYR 198 -23.008 -3.312 -1.756 675 HD2 TYR 198 2HD TYR 198 -23.482 -1.940 2.246 676 HE1 TYR 198 1HE TYR 198 -25.438 -3.617 -1.945 677 HE2 TYR 198 2HE TYR 198 -25.916 -2.243 2.065 678 HH TYR 198 HH TYR 198 -27.384 -4.054 -0.151 Start of MODEL 15 1 1H ILE 1 1HT ILE 1 -2.167 16.610 -4.441 2 2H ILE 1 2HT ILE 1 -3.781 17.119 -4.149 3 3H ILE 1 3HT ILE 1 -2.623 18.234 -4.750 4 HA ILE 1 HA ILE 1 -3.694 17.760 -6.620 5 HB ILE 1 HB ILE 1 -1.234 17.027 -6.661 6 1HG1 ILE 1 2HG1 ILE 1 -2.696 17.516 -8.645 7 2HG1 ILE 1 1HG1 ILE 1 -1.376 16.395 -8.961 8 1HG2 ILE 1 1HG2 ILE 1 -0.783 14.685 -7.088 9 2HG2 ILE 1 2HG2 ILE 1 -2.487 14.294 -6.855 10 3HG2 ILE 1 3HG2 ILE 1 -1.526 14.893 -5.501 11 1HD1 ILE 1 1HD1 ILE 1 -3.158 14.573 -8.504 12 2HD1 ILE 1 2HD1 ILE 1 -3.143 15.414 -10.054 13 3HD1 ILE 1 3HD1 ILE 1 -4.307 15.874 -8.812 14 H VAL 2 H VAL 2 -3.376 14.736 -4.797 15 HA VAL 2 HA VAL 2 -5.773 13.852 -4.363 16 HB VAL 2 HB VAL 2 -6.650 14.311 -6.554 17 1HG1 VAL 2 1HG1 VAL 2 -5.429 12.456 -8.253 18 2HG1 VAL 2 2HG1 VAL 2 -4.110 13.266 -7.406 19 3HG1 VAL 2 3HG1 VAL 2 -5.294 14.214 -8.309 20 1HG2 VAL 2 1HG2 VAL 2 -7.861 12.411 -6.743 21 2HG2 VAL 2 2HG2 VAL 2 -7.038 12.015 -5.234 22 3HG2 VAL 2 3HG2 VAL 2 -6.435 11.372 -6.763 23 H CYS 3 H CYS 3 -5.743 11.807 -3.560 24 HA CYS 3 HA CYS 3 -3.927 9.819 -4.555 25 1HB CYS 3 2HB CYS 3 -2.808 11.571 -2.815 26 2HB CYS 3 1HB CYS 3 -3.419 10.352 -1.697 27 H HIS 4 H HIS 4 -6.551 9.509 -4.515 28 HA HIS 4 HA HIS 4 -8.192 8.784 -2.638 29 1HB HIS 4 2HB HIS 4 -8.956 6.874 -3.922 30 2HB HIS 4 1HB HIS 4 -8.481 8.171 -5.016 31 HD1 HIS 4 1HD HIS 4 -5.477 7.676 -5.230 32 HD2 HIS 4 2HD HIS 4 -8.317 4.645 -5.320 33 HE1 HIS 4 1HE HIS 4 -4.370 5.754 -6.412 34 HE2 HIS 4 2HE HIS 4 -6.070 3.895 -6.359 35 H THR 5 H THR 5 -7.865 8.077 -0.639 36 HA THR 5 HA THR 5 -5.774 6.685 0.402 37 HB THR 5 HB THR 5 -7.381 7.632 1.881 38 HG1 THR 5 1HG THR 5 -7.866 5.814 3.218 39 1HG2 THR 5 1HG2 THR 5 -9.389 7.392 0.518 40 2HG2 THR 5 2HG2 THR 5 -9.637 6.806 2.162 41 3HG2 THR 5 3HG2 THR 5 -9.399 5.660 0.843 42 H THR 6 H THR 6 -5.335 4.531 0.942 43 HA THR 6 HA THR 6 -6.186 2.636 -1.055 44 HB THR 6 HB THR 6 -4.481 1.211 -0.206 45 HG1 THR 6 1HG THR 6 -4.338 2.899 2.067 46 1HG2 THR 6 1HG2 THR 6 -3.862 3.700 -1.064 47 2HG2 THR 6 2HG2 THR 6 -2.684 2.433 -0.720 48 3HG2 THR 6 3HG2 THR 6 -3.043 3.658 0.497 49 H ALA 7 H ALA 7 -7.672 3.646 1.657 50 HA ALA 7 HA ALA 7 -8.315 1.351 3.100 51 1HB ALA 7 1HB ALA 7 -10.470 3.334 2.784 52 2HB ALA 7 2HB ALA 7 -8.924 3.963 3.353 53 3HB ALA 7 3HB ALA 7 -9.734 2.675 4.245 54 H THR 8 H THR 8 -8.651 -0.372 1.669 55 HA THR 8 HA THR 8 -9.965 -1.871 0.575 56 HB THR 8 HB THR 8 -12.257 -1.788 0.789 57 HG1 THR 8 1HG THR 8 -12.052 1.014 0.465 58 1HG2 THR 8 1HG2 THR 8 -12.340 -1.517 2.975 59 2HG2 THR 8 2HG2 THR 8 -12.475 0.226 2.739 60 3HG2 THR 8 3HG2 THR 8 -10.889 -0.519 2.932 61 H SER 9 H SER 9 -11.424 -2.050 -1.452 62 HA SER 9 HA SER 9 -10.017 -0.996 -3.615 63 1HB SER 9 2HB SER 9 -11.193 -2.966 -4.068 64 2HB SER 9 1HB SER 9 -12.685 -2.354 -3.357 65 HG SER 9 HG SER 9 -13.120 -1.261 -5.157 66 HA PRO 10 HA PRO 10 -13.862 1.956 -4.405 67 1HB PRO 10 2HB PRO 10 -15.093 2.620 -1.975 68 2HB PRO 10 1HB PRO 10 -15.747 1.559 -3.221 69 1HG PRO 10 2HG PRO 10 -14.310 0.860 -0.705 70 2HG PRO 10 1HG PRO 10 -15.655 0.027 -1.503 71 1HD PRO 10 2HD PRO 10 -13.156 -0.913 -1.649 72 2HD PRO 10 1HD PRO 10 -14.263 -1.025 -3.032 73 H ILE 11 H ILE 11 -13.652 3.120 -1.116 74 HA ILE 11 HA ILE 11 -11.248 4.447 -1.046 75 HB ILE 11 HB ILE 11 -12.340 6.838 -1.586 76 1HG1 ILE 11 2HG1 ILE 11 -13.347 5.384 -3.976 77 2HG1 ILE 11 1HG1 ILE 11 -14.351 5.336 -2.530 78 1HG2 ILE 11 1HG2 ILE 11 -10.648 6.962 -3.012 79 2HG2 ILE 11 2HG2 ILE 11 -11.319 5.703 -4.049 80 3HG2 ILE 11 3HG2 ILE 11 -10.344 5.263 -2.647 81 1HD1 ILE 11 1HD1 ILE 11 -14.687 7.200 -4.309 82 2HD1 ILE 11 2HD1 ILE 11 -13.312 7.953 -3.500 83 3HD1 ILE 11 3HD1 ILE 11 -14.779 7.587 -2.591 84 H SER 12 H SER 12 -11.463 6.605 0.311 85 HA SER 12 HA SER 12 -13.743 7.038 1.885 86 1HB SER 12 2HB SER 12 -11.974 4.870 2.773 87 2HB SER 12 1HB SER 12 -12.338 6.063 4.019 88 HG SER 12 HG SER 12 -13.897 4.111 3.073 89 H ALA 13 H ALA 13 -11.150 8.240 0.650 90 HA ALA 13 HA ALA 13 -11.012 10.566 2.079 91 1HB ALA 13 1HB ALA 13 -10.196 9.754 4.054 92 2HB ALA 13 2HB ALA 13 -8.679 10.091 3.219 93 3HB ALA 13 3HB ALA 13 -9.306 8.444 3.278 94 H VAL 14 H VAL 14 -10.879 10.585 -0.429 95 HA VAL 14 HA VAL 14 -8.177 10.330 -1.452 96 HB VAL 14 HB VAL 14 -10.005 9.526 -2.827 97 1HG1 VAL 14 1HG1 VAL 14 -11.144 12.163 -2.166 98 2HG1 VAL 14 2HG1 VAL 14 -11.934 10.604 -2.393 99 3HG1 VAL 14 3HG1 VAL 14 -11.451 11.560 -3.794 100 1HG2 VAL 14 1HG2 VAL 14 -9.400 10.495 -4.872 101 2HG2 VAL 14 2HG2 VAL 14 -7.986 10.693 -3.840 102 3HG2 VAL 14 3HG2 VAL 14 -9.060 12.059 -4.131 103 H THR 15 H THR 15 -7.318 12.161 -2.788 104 HA THR 15 HA THR 15 -6.847 14.362 -3.223 105 HB THR 15 HB THR 15 -8.195 16.139 -2.581 106 HG1 THR 15 1HG THR 15 -8.723 14.618 -0.279 107 1HG2 THR 15 1HG2 THR 15 -10.110 15.517 -3.483 108 2HG2 THR 15 2HG2 THR 15 -10.498 14.488 -2.105 109 3HG2 THR 15 3HG2 THR 15 -9.523 13.855 -3.432 110 H CYS 16 H CYS 16 -4.816 14.546 -2.558 111 HA CYS 16 HA CYS 16 -4.371 15.199 0.281 112 1HB CYS 16 2HB CYS 16 -3.764 12.827 -0.111 113 2HB CYS 16 1HB CYS 16 -2.621 13.342 -1.350 114 HA PRO 17 HA PRO 17 -2.239 18.115 -2.767 115 1HB PRO 17 2HB PRO 17 -3.678 20.257 -1.408 116 2HB PRO 17 1HB PRO 17 -3.606 19.871 -3.125 117 1HG PRO 17 2HG PRO 17 -5.830 19.500 -1.597 118 2HG PRO 17 1HG PRO 17 -5.460 18.545 -3.042 119 1HD PRO 17 2HD PRO 17 -5.186 17.817 -0.166 120 2HD PRO 17 1HD PRO 17 -5.614 16.806 -1.555 121 HA PRO 18 HA PRO 18 -0.384 20.155 1.043 122 1HB PRO 18 2HB PRO 18 -1.799 20.812 3.177 123 2HB PRO 18 1HB PRO 18 -2.099 21.627 1.637 124 1HG PRO 18 2HG PRO 18 -3.694 19.520 3.009 125 2HG PRO 18 1HG PRO 18 -4.243 20.868 1.998 126 1HD PRO 18 2HD PRO 18 -3.827 18.166 1.200 127 2HD PRO 18 1HD PRO 18 -4.227 19.545 0.162 128 H GLY 19 H GLY 19 -0.119 19.930 3.696 129 1HA GLY 19 2HA GLY 19 0.313 18.534 5.483 130 2HA GLY 19 1HA GLY 19 -0.581 17.260 4.658 131 H GLU 20 H GLU 20 0.634 16.443 2.607 132 HA GLU 20 HA GLU 20 3.437 16.001 3.401 133 1HB GLU 20 2HB GLU 20 2.000 14.114 1.584 134 2HB GLU 20 1HB GLU 20 3.310 13.797 2.711 135 1HG GLU 20 2HG GLU 20 0.429 14.307 3.415 136 2HG GLU 20 1HG GLU 20 1.268 12.758 3.472 137 H ASN 21 H ASN 21 4.998 15.699 1.711 138 HA ASN 21 HA ASN 21 4.375 17.315 -0.660 139 1HB ASN 21 2HB ASN 21 6.447 17.535 1.130 140 2HB ASN 21 1HB ASN 21 7.191 16.610 -0.175 141 1HD2 ASN 21 1HD2 ASN 21 6.678 17.524 -2.411 142 2HD2 ASN 21 2HD2 ASN 21 6.821 19.237 -2.575 143 H LEU 22 H LEU 22 3.476 14.672 -0.621 144 HA LEU 22 HA LEU 22 4.091 13.652 -3.049 145 1HB LEU 22 2HB LEU 22 6.279 13.210 -1.269 146 2HB LEU 22 1HB LEU 22 5.538 11.662 -1.610 147 HG LEU 22 HG LEU 22 5.987 11.824 -3.919 148 1HD1 LEU 22 1HD1 LEU 22 7.282 14.444 -3.974 149 2HD1 LEU 22 2HD1 LEU 22 5.547 14.516 -3.687 150 3HD1 LEU 22 3HD1 LEU 22 6.168 13.705 -5.121 151 1HD2 LEU 22 1HD2 LEU 22 8.194 12.622 -2.102 152 2HD2 LEU 22 2HD2 LEU 22 8.499 12.627 -3.839 153 3HD2 LEU 22 3HD2 LEU 22 7.977 11.145 -3.039 154 H CYS 23 H CYS 23 3.892 10.962 -2.866 155 HA CYS 23 HA CYS 23 1.583 10.553 -1.082 156 1HB CYS 23 2HB CYS 23 1.941 9.996 -3.958 157 2HB CYS 23 1HB CYS 23 1.054 8.789 -3.032 158 H TYR 24 H TYR 24 2.813 9.631 0.512 159 HA TYR 24 HA TYR 24 4.560 7.424 0.104 160 1HB TYR 24 2HB TYR 24 4.665 9.236 1.881 161 2HB TYR 24 1HB TYR 24 3.347 8.389 2.681 162 HD1 TYR 24 1HD TYR 24 6.523 7.371 1.047 163 HD2 TYR 24 2HD TYR 24 4.033 7.212 4.478 164 HE1 TYR 24 1HE TYR 24 8.173 5.903 2.159 165 HE2 TYR 24 2HE TYR 24 5.663 5.741 5.614 166 HH TYR 24 HH TYR 24 7.524 4.066 4.774 167 H ARG 25 H ARG 25 4.015 5.319 0.008 168 HA ARG 25 HA ARG 25 1.831 4.273 1.582 169 1HB ARG 25 2HB ARG 25 0.550 3.353 -0.237 170 2HB ARG 25 1HB ARG 25 0.708 5.086 -0.488 171 1HG ARG 25 2HG ARG 25 1.430 4.659 -2.536 172 2HG ARG 25 1HG ARG 25 2.878 3.942 -1.828 173 1HD ARG 25 2HD ARG 25 1.666 1.777 -1.682 174 2HD ARG 25 1HD ARG 25 0.312 2.522 -2.530 175 HE ARG 25 HE ARG 25 1.482 2.350 -4.493 176 1HH1 ARG 25 1HH1 ARG 25 3.662 1.809 -1.821 177 2HH1 ARG 25 2HH1 ARG 25 4.969 1.290 -2.830 178 1HH2 ARG 25 1HH2 ARG 25 3.202 1.670 -5.822 179 2HH2 ARG 25 2HH2 ARG 25 4.709 1.213 -5.101 180 H LYS 26 H LYS 26 2.149 2.140 2.116 181 HA LYS 26 HA LYS 26 4.681 1.011 1.339 182 1HB LYS 26 2HB LYS 26 2.589 -0.395 2.976 183 2HB LYS 26 1HB LYS 26 4.332 -0.617 3.011 184 1HG LYS 26 2HG LYS 26 4.343 1.875 3.789 185 2HG LYS 26 1HG LYS 26 2.672 1.530 4.235 186 1HD LYS 26 2HD LYS 26 3.291 0.312 6.007 187 2HD LYS 26 1HD LYS 26 4.515 -0.558 5.081 188 1HE LYS 26 2HE LYS 26 6.173 0.940 5.605 189 2HE LYS 26 1HE LYS 26 5.043 2.274 5.831 190 1HZ LYS 26 1HZ LYS 26 6.165 0.625 7.781 191 2HZ LYS 26 2HZ LYS 26 4.505 0.301 7.753 192 3HZ LYS 26 3HZ LYS 26 5.053 1.883 7.995 193 H MET 27 H MET 27 5.051 -0.892 0.201 194 HA MET 27 HA MET 27 2.803 -2.333 -0.932 195 1HB MET 27 2HB MET 27 3.023 -0.467 -2.486 196 2HB MET 27 1HB MET 27 4.733 -0.819 -2.696 197 1HG MET 27 2HG MET 27 3.678 -1.698 -4.588 198 2HG MET 27 1HG MET 27 4.019 -3.088 -3.558 199 1HE MET 27 1HE MET 27 -0.142 -1.174 -4.107 200 2HE MET 27 2HE MET 27 1.299 -0.691 -5.001 201 3HE MET 27 3HE MET 27 1.180 -0.358 -3.274 202 H TRP 28 H TRP 28 3.326 -4.363 -1.704 203 HA TRP 28 HA TRP 28 6.111 -5.167 -1.830 204 1HB TRP 28 2HB TRP 28 4.841 -5.456 0.570 205 2HB TRP 28 1HB TRP 28 4.493 -7.006 -0.188 206 HD1 TRP 28 HD TRP 28 7.734 -6.149 -1.530 207 HE1 TRP 28 1HE TRP 28 9.645 -7.209 -0.172 208 HE3 TRP 28 3HE TRP 28 5.125 -7.446 2.673 209 HZ2 TRP 28 2HZ TRP 28 10.001 -8.433 2.346 210 HZ3 TRP 28 3HZ TRP 28 6.326 -8.559 4.509 211 HH2 TRP 28 HH TRP 28 8.714 -9.043 4.347 212 H CYS 29 H CYS 29 5.604 -7.957 -1.766 213 HA CYS 29 HA CYS 29 4.680 -9.708 -2.922 214 1HB CYS 29 2HB CYS 29 2.653 -7.895 -3.213 215 2HB CYS 29 1HB CYS 29 3.118 -8.201 -4.887 216 H ASP 30 H ASP 30 6.198 -6.972 -4.299 217 HA ASP 30 HA ASP 30 6.545 -7.692 -6.949 218 1HB ASP 30 2HB ASP 30 8.392 -6.247 -5.048 219 2HB ASP 30 1HB ASP 30 8.726 -6.410 -6.769 220 H ALA 31 H ALA 31 7.566 -9.301 -7.950 221 HA ALA 31 HA ALA 31 8.940 -11.069 -8.373 222 1HB ALA 31 1HB ALA 31 10.891 -11.126 -6.418 223 2HB ALA 31 2HB ALA 31 10.480 -9.416 -6.544 224 3HB ALA 31 3HB ALA 31 10.999 -10.305 -7.976 225 H PHE 32 H PHE 32 9.199 -10.888 -4.828 226 HA PHE 32 HA PHE 32 8.694 -13.678 -4.517 227 1HB PHE 32 2HB PHE 32 8.540 -11.584 -2.346 228 2HB PHE 32 1HB PHE 32 8.915 -13.294 -2.170 229 HD1 PHE 32 1HD PHE 32 10.199 -10.014 -3.140 230 HD2 PHE 32 2HD PHE 32 11.115 -14.145 -2.690 231 HE1 PHE 32 1HE PHE 32 12.599 -9.494 -3.295 232 HE2 PHE 32 2HE PHE 32 13.517 -13.634 -2.844 233 HZ PHE 32 HZ PHE 32 14.262 -11.305 -3.147 234 H CYS 33 H CYS 33 6.998 -13.766 -2.299 235 HA CYS 33 HA CYS 33 4.841 -13.807 -1.626 236 1HB CYS 33 2HB CYS 33 3.493 -12.005 -1.968 237 2HB CYS 33 1HB CYS 33 5.018 -11.312 -2.485 238 H SER 34 H SER 34 5.031 -13.640 -5.195 239 HA SER 34 HA SER 34 4.026 -14.897 -6.808 240 1HB SER 34 2HB SER 34 5.346 -16.610 -5.173 241 2HB SER 34 1HB SER 34 3.711 -17.257 -5.045 242 HG SER 34 HG SER 34 5.013 -18.125 -6.798 243 H SER 35 H SER 35 2.212 -13.294 -5.850 244 HA SER 35 HA SER 35 -0.028 -12.942 -5.713 245 1HB SER 35 2HB SER 35 0.091 -15.010 -7.377 246 2HB SER 35 1HB SER 35 -0.682 -15.837 -6.025 247 HG SER 35 HG SER 35 -1.649 -13.803 -7.664 248 H ARG 36 H ARG 36 1.510 -13.498 -3.356 249 HA ARG 36 HA ARG 36 -0.689 -14.273 -1.603 250 1HB ARG 36 2HB ARG 36 1.566 -15.947 -2.121 251 2HB ARG 36 1HB ARG 36 1.655 -15.395 -0.455 252 1HG ARG 36 2HG ARG 36 -0.108 -16.624 0.184 253 2HG ARG 36 1HG ARG 36 -0.998 -16.314 -1.307 254 1HD ARG 36 2HD ARG 36 -0.539 -18.428 -1.857 255 2HD ARG 36 1HD ARG 36 1.114 -17.882 -2.138 256 HE ARG 36 HE ARG 36 0.160 -19.483 0.057 257 1HH1 ARG 36 1HH1 ARG 36 2.682 -17.348 -1.064 258 2HH1 ARG 36 2HH1 ARG 36 3.859 -17.948 0.053 259 1HH2 ARG 36 1HH2 ARG 36 1.708 -20.275 1.528 260 2HH2 ARG 36 2HH2 ARG 36 3.308 -19.612 1.523 261 H GLY 37 H GLY 37 1.220 -11.884 -2.359 262 1HA GLY 37 2HA GLY 37 2.319 -11.250 0.251 263 2HA GLY 37 1HA GLY 37 2.473 -10.286 -1.209 264 H LYS 38 H LYS 38 -0.043 -9.743 -1.964 265 HA LYS 38 HA LYS 38 -1.515 -8.002 -1.577 266 1HB LYS 38 2HB LYS 38 -3.255 -8.666 0.092 267 2HB LYS 38 1HB LYS 38 -2.889 -9.899 -1.104 268 1HG LYS 38 2HG LYS 38 -1.504 -9.940 1.539 269 2HG LYS 38 1HG LYS 38 -3.153 -10.544 1.394 270 1HD LYS 38 2HD LYS 38 -1.644 -11.614 -0.756 271 2HD LYS 38 1HD LYS 38 -0.714 -11.846 0.724 272 1HE LYS 38 2HE LYS 38 -2.010 -13.578 1.227 273 2HE LYS 38 1HE LYS 38 -3.386 -12.484 1.345 274 1HZ LYS 38 1HZ LYS 38 -3.497 -14.461 -0.273 275 2HZ LYS 38 2HZ LYS 38 -2.528 -13.509 -1.280 276 3HZ LYS 38 3HZ LYS 38 -4.052 -12.951 -0.799 277 H VAL 39 H VAL 39 0.235 -6.535 -0.899 278 HA VAL 39 HA VAL 39 0.023 -5.868 1.965 279 HB VAL 39 HB VAL 39 2.366 -5.220 0.181 280 1HG1 VAL 39 1HG1 VAL 39 2.419 -3.723 1.952 281 2HG1 VAL 39 2HG1 VAL 39 3.431 -5.047 2.532 282 3HG1 VAL 39 3HG1 VAL 39 1.768 -4.898 3.094 283 1HG2 VAL 39 1HG2 VAL 39 2.615 -7.490 0.272 284 2HG2 VAL 39 2HG2 VAL 39 1.740 -7.636 1.796 285 3HG2 VAL 39 3HG2 VAL 39 3.402 -7.046 1.787 286 H VAL 40 H VAL 40 -0.850 -4.004 2.448 287 HA VAL 40 HA VAL 40 -0.446 -1.630 0.872 288 HB VAL 40 HB VAL 40 -2.837 -1.128 0.558 289 1HG1 VAL 40 1HG1 VAL 40 -1.382 -2.274 -1.184 290 2HG1 VAL 40 2HG1 VAL 40 -3.129 -2.373 -1.409 291 3HG1 VAL 40 3HG1 VAL 40 -2.242 -3.755 -0.766 292 1HG2 VAL 40 1HG2 VAL 40 -3.787 -2.505 2.307 293 2HG2 VAL 40 2HG2 VAL 40 -3.258 -3.970 1.477 294 3HG2 VAL 40 3HG2 VAL 40 -4.495 -2.943 0.752 295 H GLU 41 H GLU 41 -1.336 0.294 1.983 296 HA GLU 41 HA GLU 41 -2.633 0.241 4.432 297 1HB GLU 41 2HB GLU 41 -0.431 0.812 5.814 298 2HB GLU 41 1HB GLU 41 -1.051 -0.824 5.669 299 1HG GLU 41 2HG GLU 41 0.711 -0.244 3.482 300 2HG GLU 41 1HG GLU 41 1.499 0.119 5.015 301 H LEU 42 H LEU 42 0.436 1.943 4.194 302 HA LEU 42 HA LEU 42 -0.546 4.408 4.853 303 1HB LEU 42 2HB LEU 42 1.935 3.390 3.688 304 2HB LEU 42 1HB LEU 42 1.608 5.072 3.310 305 HG LEU 42 HG LEU 42 1.263 4.345 6.146 306 1HD1 LEU 42 1HD1 LEU 42 3.638 4.335 6.629 307 2HD1 LEU 42 2HD1 LEU 42 4.009 4.429 4.907 308 3HD1 LEU 42 3HD1 LEU 42 3.221 2.994 5.562 309 1HD2 LEU 42 1HD2 LEU 42 2.874 6.487 6.081 310 2HD2 LEU 42 2HD2 LEU 42 1.119 6.590 5.937 311 3HD2 LEU 42 3HD2 LEU 42 2.127 6.631 4.490 312 H GLY 43 H GLY 43 0.095 6.360 3.271 313 1HA GLY 43 2HA GLY 43 -0.497 6.430 0.597 314 2HA GLY 43 1HA GLY 43 -2.067 6.486 1.406 315 H CYS 44 H CYS 44 0.892 8.180 0.755 316 HA CYS 44 HA CYS 44 1.359 10.412 0.801 317 1HB CYS 44 2HB CYS 44 -1.410 10.435 0.770 318 2HB CYS 44 1HB CYS 44 -1.031 11.349 2.229 319 H ALA 45 H ALA 45 2.956 10.702 2.167 320 HA ALA 45 HA ALA 45 2.541 11.612 4.812 321 1HB ALA 45 1HB ALA 45 2.731 8.760 4.486 322 2HB ALA 45 2HB ALA 45 2.414 9.703 5.941 323 3HB ALA 45 3HB ALA 45 4.075 9.368 5.452 324 H ALA 46 H ALA 46 4.417 12.431 5.735 325 HA ALA 46 HA ALA 46 6.426 13.504 5.641 326 1HB ALA 46 1HB ALA 46 6.982 10.639 5.095 327 2HB ALA 46 2HB ALA 46 7.455 11.646 6.464 328 3HB ALA 46 3HB ALA 46 8.307 11.792 4.927 329 H THR 47 H THR 47 7.144 11.331 2.953 330 HA THR 47 HA THR 47 6.578 12.646 0.701 331 HB THR 47 HB THR 47 7.436 14.750 1.331 332 HG1 THR 47 1HG THR 47 9.066 15.075 -0.142 333 1HG2 THR 47 1HG2 THR 47 10.202 14.243 1.831 334 2HG2 THR 47 2HG2 THR 47 9.209 13.326 2.964 335 3HG2 THR 47 3HG2 THR 47 9.017 15.075 2.837 336 H CYS 48 H CYS 48 6.992 10.141 0.864 337 HA CYS 48 HA CYS 48 8.216 8.283 0.268 338 1HB CYS 48 2HB CYS 48 7.703 9.383 -1.897 339 2HB CYS 48 1HB CYS 48 9.257 10.207 -1.817 340 HA PRO 49 HA PRO 49 12.181 10.081 2.289 341 1HB PRO 49 2HB PRO 49 11.451 7.971 4.248 342 2HB PRO 49 1HB PRO 49 12.062 9.604 4.531 343 1HG PRO 49 2HG PRO 49 9.501 8.978 4.982 344 2HG PRO 49 1HG PRO 49 9.971 10.564 4.344 345 1HD PRO 49 2HD PRO 49 8.751 8.237 2.934 346 2HD PRO 49 1HD PRO 49 8.509 9.974 2.671 347 H SER 50 H SER 50 10.746 7.006 1.566 348 HA SER 50 HA SER 50 12.893 5.269 1.790 349 1HB SER 50 2HB SER 50 10.389 4.856 1.212 350 2HB SER 50 1HB SER 50 10.914 5.054 -0.460 351 HG SER 50 HG SER 50 12.076 3.224 1.375 352 H LYS 51 H LYS 51 13.705 4.107 -0.375 353 HA LYS 51 HA LYS 51 14.233 5.535 -2.689 354 1HB LYS 51 2HB LYS 51 16.662 6.136 -2.258 355 2HB LYS 51 1HB LYS 51 15.459 7.174 -1.505 356 1HG LYS 51 2HG LYS 51 15.764 5.882 0.603 357 2HG LYS 51 1HG LYS 51 17.092 5.023 -0.180 358 1HD LYS 51 2HD LYS 51 18.090 6.770 1.060 359 2HD LYS 51 1HD LYS 51 18.119 7.295 -0.623 360 1HE LYS 51 2HE LYS 51 15.932 8.499 -0.111 361 2HE LYS 51 1HE LYS 51 16.298 8.204 1.588 362 1HZ LYS 51 1HZ LYS 51 18.165 9.560 1.498 363 2HZ LYS 51 2HZ LYS 51 17.037 10.405 0.564 364 3HZ LYS 51 3HZ LYS 51 18.258 9.513 -0.190 365 H LYS 52 H LYS 52 15.863 3.453 -0.312 366 HA LYS 52 HA LYS 52 17.216 1.921 -2.316 367 1HB LYS 52 2HB LYS 52 17.672 0.367 -0.349 368 2HB LYS 52 1HB LYS 52 18.297 2.005 -0.222 369 1HG LYS 52 2HG LYS 52 15.622 1.736 0.884 370 2HG LYS 52 1HG LYS 52 16.801 0.683 1.667 371 1HD LYS 52 2HD LYS 52 17.304 3.612 1.194 372 2HD LYS 52 1HD LYS 52 16.520 3.006 2.654 373 1HE LYS 52 2HE LYS 52 18.618 2.896 3.452 374 2HE LYS 52 1HE LYS 52 18.693 1.394 2.532 375 1HZ LYS 52 1HZ LYS 52 20.525 3.173 2.232 376 2HZ LYS 52 2HZ LYS 52 19.398 3.935 1.229 377 3HZ LYS 52 3HZ LYS 52 19.922 2.367 0.872 378 HA PRO 53 HA PRO 53 14.131 -0.991 -3.510 379 1HB PRO 53 2HB PRO 53 16.201 -3.097 -3.259 380 2HB PRO 53 1HB PRO 53 15.238 -2.627 -4.663 381 1HG PRO 53 2HG PRO 53 17.827 -2.001 -4.500 382 2HG PRO 53 1HG PRO 53 16.653 -0.880 -5.217 383 1HD PRO 53 2HD PRO 53 17.930 -0.818 -2.512 384 2HD PRO 53 1HD PRO 53 17.557 0.523 -3.616 385 H TYR 54 H TYR 54 16.354 -2.261 -1.024 386 HA TYR 54 HA TYR 54 14.518 -4.137 0.053 387 1HB TYR 54 2HB TYR 54 16.336 -3.289 2.092 388 2HB TYR 54 1HB TYR 54 16.379 -4.767 1.132 389 HD1 TYR 54 1HD TYR 54 17.733 -1.420 1.549 390 HD2 TYR 54 2HD TYR 54 17.689 -4.873 -0.924 391 HE1 TYR 54 1HE TYR 54 19.687 -0.570 0.345 392 HE2 TYR 54 2HE TYR 54 19.649 -4.048 -2.134 393 HH TYR 54 HH TYR 54 20.807 -1.971 -2.581 394 H GLU 55 H GLU 55 12.604 -2.751 0.096 395 HA GLU 55 HA GLU 55 12.202 -1.649 2.747 396 1HB GLU 55 2HB GLU 55 11.643 0.027 0.288 397 2HB GLU 55 1HB GLU 55 11.310 0.481 1.952 398 1HG GLU 55 2HG GLU 55 14.061 -0.045 0.856 399 2HG GLU 55 1HG GLU 55 13.323 1.550 0.989 400 H GLU 56 H GLU 56 9.694 -0.409 2.141 401 HA GLU 56 HA GLU 56 8.095 -2.423 0.809 402 1HB GLU 56 2HB GLU 56 8.349 -3.158 3.205 403 2HB GLU 56 1HB GLU 56 7.515 -1.684 3.680 404 1HG GLU 56 2HG GLU 56 5.496 -2.384 2.797 405 2HG GLU 56 1HG GLU 56 6.257 -3.557 1.724 406 H VAL 57 H VAL 57 8.830 0.519 0.662 407 HA VAL 57 HA VAL 57 6.117 1.466 0.190 408 HB VAL 57 HB VAL 57 6.345 3.527 1.348 409 1HG1 VAL 57 1HG1 VAL 57 6.090 2.815 3.489 410 2HG1 VAL 57 2HG1 VAL 57 7.523 1.788 3.439 411 3HG1 VAL 57 3HG1 VAL 57 6.027 1.255 2.672 412 1HG2 VAL 57 1HG2 VAL 57 8.504 4.279 1.062 413 2HG2 VAL 57 2HG2 VAL 57 9.220 2.758 1.596 414 3HG2 VAL 57 3HG2 VAL 57 8.501 3.854 2.773 415 H THR 58 H THR 58 6.502 3.967 -0.603 416 HA THR 58 HA THR 58 8.771 4.616 -2.067 417 HB THR 58 HB THR 58 8.266 2.620 -3.409 418 HG1 THR 58 1HG THR 58 8.548 3.614 -5.308 419 1HG2 THR 58 1HG2 THR 58 6.264 2.046 -4.154 420 2HG2 THR 58 2HG2 THR 58 5.969 3.656 -4.812 421 3HG2 THR 58 3HG2 THR 58 5.605 3.314 -3.119 422 H CYS 59 H CYS 59 7.817 5.985 -4.215 423 HA CYS 59 HA CYS 59 6.015 7.910 -2.929 424 1HB CYS 59 2HB CYS 59 7.152 8.840 -5.429 425 2HB CYS 59 1HB CYS 59 7.252 9.549 -3.821 426 H CYS 60 H CYS 60 4.064 8.398 -3.750 427 HA CYS 60 HA CYS 60 3.298 7.117 -6.292 428 1HB CYS 60 2HB CYS 60 2.196 6.811 -3.638 429 2HB CYS 60 1HB CYS 60 0.971 7.429 -4.740 430 H SER 61 H SER 61 4.104 9.974 -5.342 431 HA SER 61 HA SER 61 1.837 11.618 -5.633 432 1HB SER 61 2HB SER 61 3.463 12.902 -4.722 433 2HB SER 61 1HB SER 61 4.758 11.998 -5.510 434 HG SER 61 HG SER 61 4.439 13.196 -7.361 435 H THR 62 H THR 62 0.617 11.146 -7.393 436 HA THR 62 HA THR 62 0.970 12.434 -9.768 437 HB THR 62 HB THR 62 1.381 10.048 -11.077 438 HG1 THR 62 1HG THR 62 2.461 8.787 -9.828 439 1HG2 THR 62 1HG2 THR 62 2.873 11.282 -12.126 440 2HG2 THR 62 2HG2 THR 62 3.925 11.277 -10.712 441 3HG2 THR 62 3HG2 THR 62 2.689 12.523 -10.886 442 H ASP 63 H ASP 63 -1.239 12.419 -8.682 443 HA ASP 63 HA ASP 63 -3.461 11.959 -8.846 444 1HB ASP 63 2HB ASP 63 -2.511 11.541 -11.368 445 2HB ASP 63 1HB ASP 63 -3.217 9.968 -11.010 446 H LYS 64 H LYS 64 -4.823 9.596 -9.487 447 HA LYS 64 HA LYS 64 -4.572 8.154 -7.090 448 1HB LYS 64 2HB LYS 64 -5.790 6.487 -9.102 449 2HB LYS 64 1HB LYS 64 -6.523 7.248 -7.696 450 1HG LYS 64 2HG LYS 64 -7.772 8.070 -9.452 451 2HG LYS 64 1HG LYS 64 -6.611 9.366 -9.168 452 1HD LYS 64 2HD LYS 64 -5.695 9.121 -11.199 453 2HD LYS 64 1HD LYS 64 -5.628 7.365 -11.044 454 1HE LYS 64 2HE LYS 64 -7.693 7.066 -11.997 455 2HE LYS 64 1HE LYS 64 -8.270 8.657 -11.503 456 1HZ LYS 64 1HZ LYS 64 -6.353 8.075 -13.694 457 2HZ LYS 64 2HZ LYS 64 -6.775 9.630 -13.179 458 3HZ LYS 64 3HZ LYS 64 -7.945 8.621 -13.864 459 H CYS 65 H CYS 65 -2.418 7.542 -6.864 460 HA CYS 65 HA CYS 65 -1.328 5.649 -8.802 461 1HB CYS 65 2HB CYS 65 0.207 7.363 -8.167 462 2HB CYS 65 1HB CYS 65 -0.120 7.116 -6.456 463 H ASN 66 H ASN 66 -1.926 5.859 -5.298 464 HA ASN 66 HA ASN 66 -1.129 3.420 -4.419 465 1HB ASN 66 2HB ASN 66 -3.783 4.620 -3.624 466 2HB ASN 66 1HB ASN 66 -2.746 3.576 -2.657 467 1HD2 ASN 66 1HD2 ASN 66 -3.813 6.305 -2.219 468 2HD2 ASN 66 2HD2 ASN 66 -2.430 7.275 -1.862 469 HA PRO 67 HA PRO 67 -3.927 0.862 -6.904 470 1HB PRO 67 2HB PRO 67 -2.194 -1.081 -7.486 471 2HB PRO 67 1HB PRO 67 -2.090 0.495 -8.278 472 1HG PRO 67 2HG PRO 67 -0.398 -0.656 -6.124 473 2HG PRO 67 1HG PRO 67 0.041 0.465 -7.422 474 1HD PRO 67 2HD PRO 67 -0.564 1.120 -4.733 475 2HD PRO 67 1HD PRO 67 -0.337 2.250 -6.079 476 H HIS 68 H HIS 68 -5.321 -0.565 -6.038 477 HA HIS 68 HA HIS 68 -5.261 -1.503 -3.462 478 1HB HIS 68 2HB HIS 68 -6.820 -3.361 -4.377 479 2HB HIS 68 1HB HIS 68 -7.329 -1.684 -4.533 480 HD1 HIS 68 1HD HIS 68 -6.242 -4.636 -6.535 481 HD2 HIS 68 2HD HIS 68 -7.405 -0.697 -7.163 482 HE1 HIS 68 1HE HIS 68 -6.649 -4.442 -9.009 483 HE2 HIS 68 2HE HIS 68 -7.454 -2.078 -9.349 484 HA PRO 69 HA PRO 69 -2.497 -4.862 -2.845 485 1HB PRO 69 2HB PRO 69 -4.846 -6.664 -2.479 486 2HB PRO 69 1HB PRO 69 -3.433 -6.433 -1.442 487 1HG PRO 69 2HG PRO 69 -5.807 -5.364 -0.829 488 2HG PRO 69 1HG PRO 69 -4.294 -4.520 -0.467 489 1HD PRO 69 2HD PRO 69 -6.324 -3.964 -2.556 490 2HD PRO 69 1HD PRO 69 -5.205 -2.855 -1.741 491 H LYS 70 H LYS 70 -1.998 -7.149 -3.629 492 HA LYS 70 HA LYS 70 -1.987 -7.221 -6.398 493 1HB LYS 70 2HB LYS 70 -0.710 -9.074 -6.174 494 2HB LYS 70 1HB LYS 70 -0.708 -8.616 -4.480 495 1HG LYS 70 2HG LYS 70 -2.722 -10.535 -5.619 496 2HG LYS 70 1HG LYS 70 -1.147 -11.048 -5.018 497 1HD LYS 70 2HD LYS 70 -1.772 -9.793 -2.872 498 2HD LYS 70 1HD LYS 70 -3.419 -9.808 -3.503 499 1HE LYS 70 2HE LYS 70 -1.679 -12.141 -2.763 500 2HE LYS 70 1HE LYS 70 -3.259 -11.702 -2.114 501 1HZ LYS 70 1HZ LYS 70 -2.591 -13.001 -4.663 502 2HZ LYS 70 2HZ LYS 70 -3.994 -12.060 -4.568 503 3HZ LYS 70 3HZ LYS 70 -3.797 -13.391 -3.542 504 H GLN 71 H GLN 71 -4.402 -8.312 -4.172 505 HA GLN 71 HA GLN 71 -6.237 -9.723 -4.482 506 1HB GLN 71 2HB GLN 71 -6.945 -7.383 -4.620 507 2HB GLN 71 1HB GLN 71 -6.701 -7.401 -6.359 508 1HG GLN 71 2HG GLN 71 -8.920 -7.792 -6.347 509 2HG GLN 71 1HG GLN 71 -8.381 -9.461 -6.158 510 1HE2 GLN 71 1HE2 GLN 71 -9.767 -10.419 -4.845 511 2HE2 GLN 71 2HE2 GLN 71 -10.316 -9.805 -3.327 512 H ARG 72 H ARG 72 -6.442 -8.537 -7.793 513 HA ARG 72 HA ARG 72 -6.474 -11.313 -8.699 514 1HB ARG 72 2HB ARG 72 -7.072 -9.095 -10.590 515 2HB ARG 72 1HB ARG 72 -7.800 -10.685 -10.459 516 1HG ARG 72 2HG ARG 72 -8.296 -8.679 -8.308 517 2HG ARG 72 1HG ARG 72 -9.159 -8.553 -9.841 518 1HD ARG 72 2HD ARG 72 -10.439 -9.826 -8.194 519 2HD ARG 72 1HD ARG 72 -9.992 -10.823 -9.578 520 HE ARG 72 HE ARG 72 -8.131 -11.007 -7.404 521 1HH1 ARG 72 1HH1 ARG 72 -11.146 -12.221 -8.676 522 2HH1 ARG 72 2HH1 ARG 72 -11.042 -13.727 -7.829 523 1HH2 ARG 72 1HH2 ARG 72 -7.992 -12.991 -6.290 524 2HH2 ARG 72 2HH2 ARG 72 -9.253 -14.164 -6.474 525 HA PRO 73 HA PRO 73 -3.206 -9.302 -11.651 526 1HB PRO 73 2HB PRO 73 -2.442 -6.800 -10.317 527 2HB PRO 73 1HB PRO 73 -2.896 -7.077 -12.000 528 1HG PRO 73 2HG PRO 73 -4.501 -5.750 -10.297 529 2HG PRO 73 1HG PRO 73 -5.145 -6.790 -11.582 530 1HD PRO 73 2HD PRO 73 -4.823 -7.370 -8.658 531 2HD PRO 73 1HD PRO 73 -6.185 -7.741 -9.734 532 H GLY 74 H GLY 74 -1.628 -10.698 -11.143 533 1HA GLY 74 2HA GLY 74 -0.225 -10.388 -8.579 534 2HA GLY 74 1HA GLY 74 -0.208 -11.829 -9.593 535 1H TYR 181 1HT TYR 181 -5.140 -13.613 25.255 536 2H TYR 181 2HT TYR 181 -4.065 -14.243 26.435 537 3H TYR 181 3HT TYR 181 -5.509 -15.086 26.049 538 HA TYR 181 HA TYR 181 -3.411 -14.532 24.078 539 1HB TYR 181 2HB TYR 181 -2.422 -16.645 24.582 540 2HB TYR 181 1HB TYR 181 -2.595 -15.799 26.115 541 HD1 TYR 181 1HD TYR 181 -4.810 -16.339 27.437 542 HD2 TYR 181 2HD TYR 181 -3.129 -18.839 24.434 543 HE1 TYR 181 1HE TYR 181 -6.034 -18.262 28.362 544 HE2 TYR 181 2HE TYR 181 -4.348 -20.770 25.350 545 HH TYR 181 HH TYR 181 -6.243 -21.276 26.709 546 H ARG 182 H ARG 182 -3.669 -17.302 23.190 547 HA ARG 182 HA ARG 182 -4.901 -18.599 21.786 548 1HB ARG 182 2HB ARG 182 -6.868 -17.529 23.638 549 2HB ARG 182 1HB ARG 182 -7.562 -17.789 22.044 550 1HG ARG 182 2HG ARG 182 -7.220 -20.067 22.117 551 2HG ARG 182 1HG ARG 182 -5.931 -19.939 23.317 552 1HD ARG 182 2HD ARG 182 -7.608 -20.700 24.658 553 2HD ARG 182 1HD ARG 182 -7.899 -18.968 24.793 554 HE ARG 182 HE ARG 182 -9.867 -19.235 23.645 555 1HH1 ARG 182 1HH1 ARG 182 -7.952 -22.136 23.325 556 2HH1 ARG 182 2HH1 ARG 182 -9.227 -23.045 22.584 557 1HH2 ARG 182 1HH2 ARG 182 -11.543 -20.429 22.671 558 2HH2 ARG 182 2HH2 ARG 182 -11.265 -22.076 22.212 559 H GLY 183 H GLY 183 -3.862 -15.994 21.024 560 1HA GLY 183 2HA GLY 183 -5.400 -15.682 18.568 561 2HA GLY 183 1HA GLY 183 -5.255 -14.253 19.583 562 H TRP 184 H TRP 184 -3.006 -16.829 18.578 563 HA TRP 184 HA TRP 184 -0.957 -14.815 18.097 564 1HB TRP 184 2HB TRP 184 -0.655 -17.796 17.778 565 2HB TRP 184 1HB TRP 184 0.605 -16.599 18.060 566 HD1 TRP 184 HD TRP 184 -2.034 -18.657 19.880 567 HE1 TRP 184 1HE TRP 184 -1.612 -18.498 22.415 568 HE3 TRP 184 3HE TRP 184 1.582 -15.043 19.877 569 HZ2 TRP 184 2HZ TRP 184 0.036 -17.036 24.178 570 HZ3 TRP 184 3HZ TRP 184 2.529 -14.320 22.030 571 HH2 TRP 184 HH TRP 184 1.771 -15.297 24.135 572 H LYS 185 H LYS 185 -3.405 -15.623 16.307 573 HA LYS 185 HA LYS 185 -2.605 -16.741 13.932 574 1HB LYS 185 2HB LYS 185 -4.926 -16.097 14.452 575 2HB LYS 185 1HB LYS 185 -4.493 -14.403 14.265 576 1HG LYS 185 2HG LYS 185 -3.758 -15.073 11.892 577 2HG LYS 185 1HG LYS 185 -4.714 -16.531 12.173 578 1HD LYS 185 2HD LYS 185 -6.542 -14.798 12.921 579 2HD LYS 185 1HD LYS 185 -5.598 -13.694 11.918 580 1HE LYS 185 2HE LYS 185 -5.770 -15.392 10.072 581 2HE LYS 185 1HE LYS 185 -6.919 -16.269 11.083 582 1HZ LYS 185 1HZ LYS 185 -7.341 -13.418 10.451 583 2HZ LYS 185 2HZ LYS 185 -8.476 -14.582 10.914 584 3HZ LYS 185 3HZ LYS 185 -7.814 -14.621 9.359 585 H HIS 186 H HIS 186 -1.276 -16.208 12.332 586 HA HIS 186 HA HIS 186 -0.277 -13.438 12.212 587 1HB HIS 186 2HB HIS 186 1.375 -15.193 13.001 588 2HB HIS 186 1HB HIS 186 1.276 -15.894 11.385 589 HD1 HIS 186 1HD HIS 186 3.695 -15.373 10.761 590 HD2 HIS 186 2HD HIS 186 1.515 -12.014 11.876 591 HE1 HIS 186 1HE HIS 186 5.125 -13.402 10.132 592 HE2 HIS 186 2HE HIS 186 3.816 -11.383 10.876 593 H TRP 187 H TRP 187 -2.050 -13.043 10.725 594 HA TRP 187 HA TRP 187 -2.006 -14.402 8.171 595 1HB TRP 187 2HB TRP 187 -4.017 -13.271 9.574 596 2HB TRP 187 1HB TRP 187 -3.617 -11.939 8.496 597 HD1 TRP 187 HD TRP 187 -3.229 -15.443 7.096 598 HE1 TRP 187 1HE TRP 187 -5.079 -15.864 5.361 599 HE3 TRP 187 3HE TRP 187 -6.098 -11.297 7.944 600 HZ2 TRP 187 2HZ TRP 187 -7.445 -14.607 4.468 601 HZ3 TRP 187 3HZ TRP 187 -8.138 -10.981 6.606 602 HH2 TRP 187 HH TRP 187 -8.796 -12.603 4.904 603 H VAL 188 H VAL 188 -2.506 -12.528 6.321 604 HA VAL 188 HA VAL 188 0.071 -11.220 6.066 605 HB VAL 188 HB VAL 188 -1.803 -10.845 3.858 606 1HG1 VAL 188 1HG1 VAL 188 0.056 -11.294 2.558 607 2HG1 VAL 188 2HG1 VAL 188 0.768 -12.365 3.766 608 3HG1 VAL 188 3HG1 VAL 188 0.773 -10.620 4.021 609 1HG2 VAL 188 1HG2 VAL 188 -2.782 -12.909 4.326 610 2HG2 VAL 188 2HG2 VAL 188 -1.264 -13.613 4.879 611 3HG2 VAL 188 3HG2 VAL 188 -1.521 -13.310 3.160 612 H TYR 189 H TYR 189 -0.443 -9.109 4.430 613 HA TYR 189 HA TYR 189 -2.117 -7.340 6.093 614 1HB TYR 189 2HB TYR 189 0.591 -7.170 5.843 615 2HB TYR 189 1HB TYR 189 0.068 -6.091 4.551 616 HD1 TYR 189 1HD TYR 189 -1.380 -4.128 5.114 617 HD2 TYR 189 2HD TYR 189 0.446 -6.527 8.116 618 HE1 TYR 189 1HE TYR 189 -1.733 -2.332 6.756 619 HE2 TYR 189 2HE TYR 189 0.097 -4.739 9.767 620 HH TYR 189 HH TYR 189 -0.764 -1.584 8.907 621 H TYR 190 H TYR 190 -3.571 -8.400 4.253 622 HA TYR 190 HA TYR 190 -3.391 -7.092 1.696 623 1HB TYR 190 2HB TYR 190 -5.131 -8.474 1.014 624 2HB TYR 190 1HB TYR 190 -4.369 -9.448 2.268 625 HD1 TYR 190 1HD TYR 190 -7.425 -8.326 1.041 626 HD2 TYR 190 2HD TYR 190 -5.385 -8.993 4.714 627 HE1 TYR 190 1HE TYR 190 -9.585 -8.489 2.202 628 HE2 TYR 190 2HE TYR 190 -7.540 -9.160 5.887 629 HH TYR 190 HH TYR 190 -10.444 -8.167 4.551 630 H THR 191 H THR 191 -5.535 -6.107 0.835 631 HA THR 191 HA THR 191 -5.951 -3.627 1.858 632 HB THR 191 HB THR 191 -6.924 -4.008 -0.240 633 HG1 THR 191 1HG THR 191 -8.252 -2.696 1.083 634 1HG2 THR 191 1HG2 THR 191 -8.817 -6.067 0.832 635 2HG2 THR 191 2HG2 THR 191 -7.254 -6.500 0.141 636 3HG2 THR 191 3HG2 THR 191 -8.453 -5.667 -0.846 637 H CYS 192 H CYS 192 -7.254 -2.631 3.303 638 HA CYS 192 HA CYS 192 -8.328 -4.316 5.426 639 1HB CYS 192 2HB CYS 192 -7.263 -2.603 6.501 640 2HB CYS 192 1HB CYS 192 -7.554 -1.458 5.202 641 H CYS 193 H CYS 193 -10.260 -3.582 6.477 642 HA CYS 193 HA CYS 193 -12.545 -3.510 6.438 643 1HB CYS 193 2HB CYS 193 -12.903 -1.187 4.906 644 2HB CYS 193 1HB CYS 193 -12.669 -1.289 6.646 645 HA PRO 194 HA PRO 194 -14.504 -4.829 2.687 646 1HB PRO 194 2HB PRO 194 -16.996 -3.896 2.847 647 2HB PRO 194 1HB PRO 194 -16.364 -5.020 4.056 648 1HG PRO 194 2HG PRO 194 -16.754 -2.068 4.231 649 2HG PRO 194 1HG PRO 194 -16.998 -3.308 5.472 650 1HD PRO 194 2HD PRO 194 -14.749 -1.673 5.220 651 2HD PRO 194 1HD PRO 194 -14.836 -3.173 6.163 652 H ASP 195 H ASP 195 -16.047 -4.079 0.808 653 HA ASP 195 HA ASP 195 -15.056 -1.483 -0.161 654 1HB ASP 195 2HB ASP 195 -15.633 -2.644 -2.473 655 2HB ASP 195 1HB ASP 195 -14.081 -2.906 -1.676 656 H THR 196 H THR 196 -17.681 -3.721 -1.114 657 HA THR 196 HA THR 196 -19.626 -1.566 -0.668 658 HB THR 196 HB THR 196 -18.881 -1.356 -3.015 659 HG1 THR 196 1HG THR 196 -21.517 -2.367 -2.774 660 1HG2 THR 196 1HG2 THR 196 -20.270 -3.698 -4.007 661 2HG2 THR 196 2HG2 THR 196 -18.822 -4.102 -3.083 662 3HG2 THR 196 3HG2 THR 196 -18.711 -3.019 -4.472 663 HA PRO 197 HA PRO 197 -21.302 -5.928 0.103 664 1HB PRO 197 2HB PRO 197 -20.897 -6.208 2.751 665 2HB PRO 197 1HB PRO 197 -19.681 -6.721 1.575 666 1HG PRO 197 2HG PRO 197 -19.785 -4.233 3.232 667 2HG PRO 197 1HG PRO 197 -18.396 -5.267 2.848 668 1HD PRO 197 2HD PRO 197 -18.950 -2.907 1.562 669 2HD PRO 197 1HD PRO 197 -18.040 -4.243 0.832 670 H TYR 198 H TYR 198 -21.749 -2.887 0.380 671 HA TYR 198 HA TYR 198 -23.666 -2.515 2.451 672 1HB TYR 198 2HB TYR 198 -22.122 -0.753 1.659 673 2HB TYR 198 1HB TYR 198 -22.872 -0.817 0.064 674 HD1 TYR 198 1HD TYR 198 -23.411 0.132 3.594 675 HD2 TYR 198 2HD TYR 198 -24.934 0.320 -0.374 676 HE1 TYR 198 1HE TYR 198 -25.037 1.831 4.306 677 HE2 TYR 198 2HE TYR 198 -26.568 2.022 0.328 678 HH TYR 198 HH TYR 198 -27.652 2.825 2.320 Start of MODEL 16 1 1H ILE 1 1HT ILE 1 -5.266 13.889 -8.951 2 2H ILE 1 2HT ILE 1 -6.012 15.229 -8.181 3 3H ILE 1 3HT ILE 1 -6.470 13.631 -7.758 4 HA ILE 1 HA ILE 1 -4.024 13.352 -7.174 5 HB ILE 1 HB ILE 1 -4.339 16.330 -6.793 6 1HG1 ILE 1 2HG1 ILE 1 -4.085 15.957 -9.153 7 2HG1 ILE 1 1HG1 ILE 1 -2.531 16.499 -8.528 8 1HG2 ILE 1 1HG2 ILE 1 -2.800 15.890 -5.220 9 2HG2 ILE 1 2HG2 ILE 1 -1.691 15.769 -6.585 10 3HG2 ILE 1 3HG2 ILE 1 -2.408 14.311 -5.900 11 1HD1 ILE 1 1HD1 ILE 1 -3.306 13.918 -9.703 12 2HD1 ILE 1 2HD1 ILE 1 -2.199 13.847 -8.333 13 3HD1 ILE 1 3HD1 ILE 1 -1.772 14.784 -9.764 14 H VAL 2 H VAL 2 -4.311 12.423 -5.270 15 HA VAL 2 HA VAL 2 -5.207 13.773 -2.974 16 HB VAL 2 HB VAL 2 -7.368 13.338 -4.397 17 1HG1 VAL 2 1HG1 VAL 2 -8.478 11.224 -3.813 18 2HG1 VAL 2 2HG1 VAL 2 -6.993 10.671 -3.040 19 3HG1 VAL 2 3HG1 VAL 2 -7.024 10.971 -4.777 20 1HG2 VAL 2 1HG2 VAL 2 -8.552 13.725 -2.501 21 2HG2 VAL 2 2HG2 VAL 2 -6.934 14.027 -1.871 22 3HG2 VAL 2 3HG2 VAL 2 -7.715 12.473 -1.587 23 H CYS 3 H CYS 3 -5.854 11.989 -1.200 24 HA CYS 3 HA CYS 3 -4.039 9.698 -1.582 25 1HB CYS 3 2HB CYS 3 -3.660 11.854 0.162 26 2HB CYS 3 1HB CYS 3 -4.217 10.532 1.187 27 H HIS 4 H HIS 4 -5.702 8.230 -1.969 28 HA HIS 4 HA HIS 4 -8.118 7.876 -0.872 29 1HB HIS 4 2HB HIS 4 -6.060 5.797 -1.553 30 2HB HIS 4 1HB HIS 4 -7.713 5.379 -1.094 31 HD1 HIS 4 1HD HIS 4 -5.724 6.962 -3.850 32 HD2 HIS 4 2HD HIS 4 -9.654 5.891 -3.034 33 HE1 HIS 4 1HE HIS 4 -6.951 7.189 -6.033 34 HE2 HIS 4 2HE HIS 4 -9.306 6.447 -5.534 35 H THR 5 H THR 5 -9.067 6.866 0.921 36 HA THR 5 HA THR 5 -7.646 7.201 3.368 37 HB THR 5 HB THR 5 -9.679 6.585 4.449 38 HG1 THR 5 1HG THR 5 -10.188 5.244 2.046 39 1HG2 THR 5 1HG2 THR 5 -11.313 7.643 2.448 40 2HG2 THR 5 2HG2 THR 5 -9.742 8.418 2.253 41 3HG2 THR 5 3HG2 THR 5 -10.576 8.495 3.805 42 H THR 6 H THR 6 -5.853 5.767 2.992 43 HA THR 6 HA THR 6 -4.682 3.869 3.387 44 HB THR 6 HB THR 6 -5.419 2.381 5.040 45 HG1 THR 6 1HG THR 6 -7.284 1.516 4.687 46 1HG2 THR 6 1HG2 THR 6 -6.458 5.121 5.404 47 2HG2 THR 6 2HG2 THR 6 -5.305 4.199 6.367 48 3HG2 THR 6 3HG2 THR 6 -7.032 3.886 6.525 49 H ALA 7 H ALA 7 -6.982 4.069 1.166 50 HA ALA 7 HA ALA 7 -7.373 2.873 -0.735 51 1HB ALA 7 1HB ALA 7 -5.809 1.424 -1.447 52 2HB ALA 7 2HB ALA 7 -5.865 0.469 0.034 53 3HB ALA 7 3HB ALA 7 -4.935 1.966 -0.016 54 H THR 8 H THR 8 -7.174 0.597 2.019 55 HA THR 8 HA THR 8 -8.804 -1.393 1.465 56 HB THR 8 HB THR 8 -9.738 -1.266 3.805 57 HG1 THR 8 1HG THR 8 -9.185 0.420 5.072 58 1HG2 THR 8 1HG2 THR 8 -7.857 -2.432 4.086 59 2HG2 THR 8 2HG2 THR 8 -7.230 -0.935 4.774 60 3HG2 THR 8 3HG2 THR 8 -6.908 -1.332 3.086 61 H SER 9 H SER 9 -10.816 -1.818 0.813 62 HA SER 9 HA SER 9 -13.008 -1.564 0.251 63 1HB SER 9 2HB SER 9 -13.511 0.931 1.725 64 2HB SER 9 1HB SER 9 -14.338 -0.623 1.824 65 HG SER 9 HG SER 9 -13.354 -0.631 3.706 66 HA PRO 10 HA PRO 10 -13.263 1.287 -3.105 67 1HB PRO 10 2HB PRO 10 -15.782 2.369 -2.906 68 2HB PRO 10 1HB PRO 10 -15.446 0.761 -3.556 69 1HG PRO 10 2HG PRO 10 -16.323 1.545 -0.799 70 2HG PRO 10 1HG PRO 10 -16.904 0.216 -1.822 71 1HD PRO 10 2HD PRO 10 -15.186 -0.239 0.163 72 2HD PRO 10 1HD PRO 10 -15.035 -1.102 -1.382 73 H ILE 11 H ILE 11 -14.386 2.543 -0.022 74 HA ILE 11 HA ILE 11 -14.335 4.605 0.934 75 HB ILE 11 HB ILE 11 -12.212 5.617 1.084 76 1HG1 ILE 11 2HG1 ILE 11 -12.007 5.356 -1.638 77 2HG1 ILE 11 1HG1 ILE 11 -10.700 5.854 -0.578 78 1HG2 ILE 11 1HG2 ILE 11 -10.677 3.551 1.190 79 2HG2 ILE 11 2HG2 ILE 11 -12.118 2.651 0.717 80 3HG2 ILE 11 3HG2 ILE 11 -12.118 3.597 2.206 81 1HD1 ILE 11 1HD1 ILE 11 -9.948 4.165 -2.129 82 2HD1 ILE 11 2HD1 ILE 11 -11.205 3.061 -1.574 83 3HD1 ILE 11 3HD1 ILE 11 -9.909 3.540 -0.480 84 H SER 12 H SER 12 -13.087 7.027 0.078 85 HA SER 12 HA SER 12 -13.661 7.946 -2.446 86 1HB SER 12 2HB SER 12 -15.924 9.159 -1.786 87 2HB SER 12 1HB SER 12 -15.935 7.530 -2.465 88 HG SER 12 HG SER 12 -17.207 7.488 -0.655 89 H ALA 13 H ALA 13 -14.763 9.071 0.759 90 HA ALA 13 HA ALA 13 -13.780 11.705 0.397 91 1HB ALA 13 1HB ALA 13 -14.978 10.150 2.601 92 2HB ALA 13 2HB ALA 13 -15.350 11.775 2.026 93 3HB ALA 13 3HB ALA 13 -13.960 11.509 3.081 94 H VAL 14 H VAL 14 -11.629 11.289 -0.356 95 HA VAL 14 HA VAL 14 -9.745 10.701 1.828 96 HB VAL 14 HB VAL 14 -8.491 9.275 0.570 97 1HG1 VAL 14 1HG1 VAL 14 -10.939 8.920 -1.119 98 2HG1 VAL 14 2HG1 VAL 14 -10.957 8.532 0.601 99 3HG1 VAL 14 3HG1 VAL 14 -9.847 7.696 -0.482 100 1HG2 VAL 14 1HG2 VAL 14 -9.306 10.956 -1.768 101 2HG2 VAL 14 2HG2 VAL 14 -8.624 9.352 -2.032 102 3HG2 VAL 14 3HG2 VAL 14 -7.692 10.576 -1.172 103 H THR 15 H THR 15 -7.747 11.807 1.777 104 HA THR 15 HA THR 15 -6.611 13.424 -0.030 105 HB THR 15 HB THR 15 -8.431 14.796 -0.509 106 HG1 THR 15 1HG THR 15 -6.582 16.019 0.177 107 1HG2 THR 15 1HG2 THR 15 -9.382 15.878 1.892 108 2HG2 THR 15 2HG2 THR 15 -9.330 14.130 2.118 109 3HG2 THR 15 3HG2 THR 15 -10.229 14.818 0.766 110 H CYS 16 H CYS 16 -4.976 12.597 1.390 111 HA CYS 16 HA CYS 16 -4.755 13.381 4.098 112 1HB CYS 16 2HB CYS 16 -2.740 12.258 4.117 113 2HB CYS 16 1HB CYS 16 -3.482 11.529 2.702 114 HA PRO 17 HA PRO 17 -2.875 17.379 4.600 115 1HB PRO 17 2HB PRO 17 -0.181 16.215 3.966 116 2HB PRO 17 1HB PRO 17 -0.612 17.443 5.163 117 1HG PRO 17 2HG PRO 17 -0.279 14.884 5.872 118 2HG PRO 17 1HG PRO 17 -1.525 15.897 6.623 119 1HD PRO 17 2HD PRO 17 -1.822 13.644 4.762 120 2HD PRO 17 1HD PRO 17 -3.017 14.355 5.856 121 HA PRO 18 HA PRO 18 -3.360 18.440 0.219 122 1HB PRO 18 2HB PRO 18 -2.861 21.092 1.513 123 2HB PRO 18 1HB PRO 18 -4.068 20.641 0.303 124 1HG PRO 18 2HG PRO 18 -4.759 20.909 2.854 125 2HG PRO 18 1HG PRO 18 -5.439 19.604 1.863 126 1HD PRO 18 2HD PRO 18 -3.377 19.480 4.002 127 2HD PRO 18 1HD PRO 18 -4.582 18.270 3.520 128 H GLY 19 H GLY 19 -2.133 20.039 -1.245 129 1HA GLY 19 2HA GLY 19 -0.166 20.730 -2.219 130 2HA GLY 19 1HA GLY 19 0.563 20.702 -0.615 131 H GLU 20 H GLU 20 2.479 19.866 -1.672 132 HA GLU 20 HA GLU 20 2.580 17.474 -3.122 133 1HB GLU 20 2HB GLU 20 4.745 18.374 -1.226 134 2HB GLU 20 1HB GLU 20 4.921 17.479 -2.730 135 1HG GLU 20 2HG GLU 20 5.482 19.460 -3.587 136 2HG GLU 20 1HG GLU 20 3.743 19.753 -3.615 137 H ASN 21 H ASN 21 4.331 15.780 -1.795 138 HA ASN 21 HA ASN 21 4.380 14.030 -0.344 139 1HB ASN 21 2HB ASN 21 4.502 15.008 1.683 140 2HB ASN 21 1HB ASN 21 3.397 16.288 1.205 141 1HD2 ASN 21 1HD2 ASN 21 1.243 16.130 1.728 142 2HD2 ASN 21 2HD2 ASN 21 0.634 14.950 2.832 143 H LEU 22 H LEU 22 3.273 12.650 -1.737 144 HA LEU 22 HA LEU 22 0.380 12.413 -1.254 145 1HB LEU 22 2HB LEU 22 1.923 12.456 -3.666 146 2HB LEU 22 1HB LEU 22 1.056 10.939 -3.548 147 HG LEU 22 HG LEU 22 -0.220 12.630 -4.790 148 1HD1 LEU 22 1HD1 LEU 22 -1.487 10.939 -3.684 149 2HD1 LEU 22 2HD1 LEU 22 -2.319 12.478 -3.454 150 3HD1 LEU 22 3HD1 LEU 22 -1.369 11.784 -2.140 151 1HD2 LEU 22 1HD2 LEU 22 -1.220 14.346 -2.891 152 2HD2 LEU 22 2HD2 LEU 22 0.000 14.744 -4.100 153 3HD2 LEU 22 3HD2 LEU 22 0.492 14.256 -2.479 154 H CYS 23 H CYS 23 -0.368 10.092 -1.946 155 HA CYS 23 HA CYS 23 0.420 8.358 0.092 156 1HB CYS 23 2HB CYS 23 -1.313 8.106 -2.326 157 2HB CYS 23 1HB CYS 23 -0.912 6.662 -1.398 158 H TYR 24 H TYR 24 2.728 8.062 -0.121 159 HA TYR 24 HA TYR 24 3.858 6.860 -2.437 160 1HB TYR 24 2HB TYR 24 5.819 6.403 -0.947 161 2HB TYR 24 1HB TYR 24 5.312 8.086 -0.964 162 HD1 TYR 24 1HD TYR 24 4.281 9.101 1.019 163 HD2 TYR 24 2HD TYR 24 5.617 5.065 1.046 164 HE1 TYR 24 1HE TYR 24 4.201 9.090 3.478 165 HE2 TYR 24 2HE TYR 24 5.530 5.039 3.500 166 HH TYR 24 HH TYR 24 4.451 6.222 5.316 167 H ARG 25 H ARG 25 2.052 5.317 -2.605 168 HA ARG 25 HA ARG 25 1.317 3.295 -1.004 169 1HB ARG 25 2HB ARG 25 0.704 2.033 -2.939 170 2HB ARG 25 1HB ARG 25 0.480 3.737 -3.309 171 1HG ARG 25 2HG ARG 25 2.946 2.212 -4.097 172 2HG ARG 25 1HG ARG 25 1.513 2.321 -5.120 173 1HD ARG 25 2HD ARG 25 1.716 4.824 -4.944 174 2HD ARG 25 1HD ARG 25 3.281 4.568 -4.173 175 HE ARG 25 HE ARG 25 4.160 4.188 -6.238 176 1HH1 ARG 25 1HH1 ARG 25 0.719 3.628 -6.406 177 2HH1 ARG 25 2HH1 ARG 25 0.723 3.340 -8.114 178 1HH2 ARG 25 1HH2 ARG 25 4.167 3.810 -8.485 179 2HH2 ARG 25 2HH2 ARG 25 2.680 3.443 -9.293 180 H LYS 26 H LYS 26 1.877 1.222 -0.537 181 HA LYS 26 HA LYS 26 4.608 0.355 -1.205 182 1HB LYS 26 2HB LYS 26 4.319 1.330 1.163 183 2HB LYS 26 1HB LYS 26 3.375 -0.111 1.507 184 1HG LYS 26 2HG LYS 26 5.981 -0.637 0.283 185 2HG LYS 26 1HG LYS 26 6.049 0.120 1.876 186 1HD LYS 26 2HD LYS 26 4.105 -2.050 1.712 187 2HD LYS 26 1HD LYS 26 5.760 -2.569 1.385 188 1HE LYS 26 2HE LYS 26 4.975 -2.640 3.808 189 2HE LYS 26 1HE LYS 26 6.518 -1.852 3.484 190 1HZ LYS 26 1HZ LYS 26 4.107 -0.194 3.492 191 2HZ LYS 26 2HZ LYS 26 5.683 0.191 3.969 192 3HZ LYS 26 3HZ LYS 26 4.695 -0.734 4.984 193 H MET 27 H MET 27 4.828 -2.097 -0.581 194 HA MET 27 HA MET 27 2.372 -3.600 -0.639 195 1HB MET 27 2HB MET 27 3.248 -2.764 -3.092 196 2HB MET 27 1HB MET 27 4.018 -4.339 -2.965 197 1HG MET 27 2HG MET 27 2.011 -5.468 -2.914 198 2HG MET 27 1HG MET 27 1.115 -4.060 -2.348 199 1HE MET 27 1HE MET 27 3.682 -4.636 -5.106 200 2HE MET 27 2HE MET 27 2.802 -4.370 -6.612 201 3HE MET 27 3HE MET 27 2.560 -5.860 -5.700 202 H TRP 28 H TRP 28 3.076 -6.037 -1.325 203 HA TRP 28 HA TRP 28 5.255 -6.700 0.517 204 1HB TRP 28 2HB TRP 28 2.742 -7.666 0.467 205 2HB TRP 28 1HB TRP 28 3.521 -8.836 -0.586 206 HD1 TRP 28 HD TRP 28 3.764 -10.920 0.889 207 HE1 TRP 28 1HE TRP 28 4.824 -11.430 3.176 208 HE3 TRP 28 3HE TRP 28 4.887 -6.146 2.353 209 HZ2 TRP 28 2HZ TRP 28 5.980 -10.004 5.317 210 HZ3 TRP 28 3HZ TRP 28 5.969 -5.809 4.537 211 HH2 TRP 28 HH TRP 28 6.503 -7.700 5.987 212 H CYS 29 H CYS 29 5.784 -9.286 -0.336 213 HA CYS 29 HA CYS 29 7.022 -10.514 -1.774 214 1HB CYS 29 2HB CYS 29 5.422 -8.843 -3.523 215 2HB CYS 29 1HB CYS 29 6.996 -9.191 -4.235 216 H ASP 30 H ASP 30 7.456 -7.162 -2.920 217 HA ASP 30 HA ASP 30 9.299 -5.846 -3.115 218 1HB ASP 30 2HB ASP 30 10.590 -7.612 -1.035 219 2HB ASP 30 1HB ASP 30 10.953 -5.927 -1.392 220 H ALA 31 H ALA 31 9.549 -6.781 -5.262 221 HA ALA 31 HA ALA 31 10.701 -7.802 -6.946 222 1HB ALA 31 1HB ALA 31 13.274 -7.715 -5.543 223 2HB ALA 31 2HB ALA 31 12.390 -6.189 -5.556 224 3HB ALA 31 3HB ALA 31 12.788 -6.989 -7.075 225 H PHE 32 H PHE 32 9.501 -9.680 -5.352 226 HA PHE 32 HA PHE 32 11.266 -11.944 -5.750 227 1HB PHE 32 2HB PHE 32 11.312 -10.881 -3.266 228 2HB PHE 32 1HB PHE 32 9.945 -11.976 -3.100 229 HD1 PHE 32 1HD PHE 32 13.320 -12.105 -4.697 230 HD2 PHE 32 2HD PHE 32 10.475 -13.984 -2.151 231 HE1 PHE 32 1HE PHE 32 14.873 -13.984 -4.355 232 HE2 PHE 32 2HE PHE 32 12.022 -15.864 -1.803 233 HZ PHE 32 HZ PHE 32 14.225 -15.866 -2.905 234 H CYS 33 H CYS 33 9.835 -13.932 -4.598 235 HA CYS 33 HA CYS 33 8.152 -15.363 -5.182 236 1HB CYS 33 2HB CYS 33 5.835 -13.848 -4.856 237 2HB CYS 33 1HB CYS 33 6.642 -14.809 -3.627 238 H SER 34 H SER 34 5.700 -15.154 -6.307 239 HA SER 34 HA SER 34 6.379 -14.509 -9.061 240 1HB SER 34 2HB SER 34 5.342 -16.685 -8.604 241 2HB SER 34 1HB SER 34 3.942 -15.881 -7.896 242 HG SER 34 HG SER 34 4.672 -16.175 -10.558 243 H SER 35 H SER 35 4.367 -13.375 -6.466 244 HA SER 35 HA SER 35 3.967 -10.844 -7.567 245 1HB SER 35 2HB SER 35 1.345 -11.228 -7.793 246 2HB SER 35 1HB SER 35 2.432 -11.479 -9.158 247 HG SER 35 HG SER 35 1.309 -13.321 -9.100 248 H ARG 36 H ARG 36 2.293 -13.307 -5.641 249 HA ARG 36 HA ARG 36 1.033 -13.091 -3.726 250 1HB ARG 36 2HB ARG 36 3.846 -13.007 -3.419 251 2HB ARG 36 1HB ARG 36 3.139 -12.024 -2.144 252 1HG ARG 36 2HG ARG 36 3.221 -14.108 -1.168 253 2HG ARG 36 1HG ARG 36 1.571 -14.057 -1.791 254 1HD ARG 36 2HD ARG 36 2.105 -15.443 -3.616 255 2HD ARG 36 1HD ARG 36 3.837 -15.212 -3.387 256 HE ARG 36 HE ARG 36 3.825 -16.856 -1.782 257 1HH1 ARG 36 1HH1 ARG 36 0.537 -15.974 -2.554 258 2HH1 ARG 36 2HH1 ARG 36 -0.153 -17.306 -1.689 259 1HH2 ARG 36 1HH2 ARG 36 2.915 -18.608 -0.645 260 2HH2 ARG 36 2HH2 ARG 36 1.194 -18.799 -0.606 261 H GLY 37 H GLY 37 3.126 -10.354 -2.881 262 1HA GLY 37 2HA GLY 37 2.613 -8.189 -2.317 263 2HA GLY 37 1HA GLY 37 1.310 -8.296 -3.490 264 H LYS 38 H LYS 38 -0.752 -8.331 -2.769 265 HA LYS 38 HA LYS 38 -2.437 -7.955 -1.301 266 1HB LYS 38 2HB LYS 38 -1.139 -10.457 -0.251 267 2HB LYS 38 1HB LYS 38 -2.661 -9.847 0.383 268 1HG LYS 38 2HG LYS 38 -2.067 -10.857 -2.375 269 2HG LYS 38 1HG LYS 38 -3.208 -11.502 -1.196 270 1HD LYS 38 2HD LYS 38 -3.916 -8.803 -1.643 271 2HD LYS 38 1HD LYS 38 -3.634 -9.528 -3.224 272 1HE LYS 38 2HE LYS 38 -5.089 -11.438 -1.803 273 2HE LYS 38 1HE LYS 38 -5.832 -9.896 -1.381 274 1HZ LYS 38 1HZ LYS 38 -6.782 -9.790 -3.362 275 2HZ LYS 38 2HZ LYS 38 -6.236 -11.358 -3.675 276 3HZ LYS 38 3HZ LYS 38 -5.312 -10.030 -4.166 277 H VAL 39 H VAL 39 -0.387 -6.262 -0.756 278 HA VAL 39 HA VAL 39 -0.697 -5.894 2.132 279 HB VAL 39 HB VAL 39 1.899 -5.979 0.630 280 1HG1 VAL 39 1HG1 VAL 39 1.331 -4.275 3.048 281 2HG1 VAL 39 2HG1 VAL 39 1.991 -3.765 1.494 282 3HG1 VAL 39 3HG1 VAL 39 2.952 -4.778 2.572 283 1HG2 VAL 39 1HG2 VAL 39 2.635 -7.101 2.717 284 2HG2 VAL 39 2HG2 VAL 39 1.298 -7.923 1.911 285 3HG2 VAL 39 3HG2 VAL 39 0.993 -6.936 3.340 286 H VAL 40 H VAL 40 -1.969 -4.146 2.118 287 HA VAL 40 HA VAL 40 -1.292 -1.959 0.274 288 HB VAL 40 HB VAL 40 -3.541 -2.974 0.025 289 1HG1 VAL 40 1HG1 VAL 40 -3.577 -2.673 2.870 290 2HG1 VAL 40 2HG1 VAL 40 -4.721 -3.513 1.824 291 3HG1 VAL 40 3HG1 VAL 40 -4.937 -1.798 2.167 292 1HG2 VAL 40 1HG2 VAL 40 -3.966 -0.196 1.034 293 2HG2 VAL 40 2HG2 VAL 40 -4.614 -0.979 -0.407 294 3HG2 VAL 40 3HG2 VAL 40 -2.925 -0.479 -0.361 295 H GLU 41 H GLU 41 -1.777 0.235 1.032 296 HA GLU 41 HA GLU 41 -1.951 0.828 3.808 297 1HB GLU 41 2HB GLU 41 0.317 1.947 3.927 298 2HB GLU 41 1HB GLU 41 0.341 0.191 3.924 299 1HG GLU 41 2HG GLU 41 0.890 1.955 1.545 300 2HG GLU 41 1HG GLU 41 2.100 1.126 2.521 301 H LEU 42 H LEU 42 -0.012 3.239 2.605 302 HA LEU 42 HA LEU 42 -1.737 4.502 0.761 303 1HB LEU 42 2HB LEU 42 -2.397 6.410 2.287 304 2HB LEU 42 1HB LEU 42 -3.256 4.899 2.508 305 HG LEU 42 HG LEU 42 -1.195 4.659 4.311 306 1HD1 LEU 42 1HD1 LEU 42 -0.483 6.618 5.094 307 2HD1 LEU 42 2HD1 LEU 42 -2.112 7.292 5.116 308 3HD1 LEU 42 3HD1 LEU 42 -1.160 7.336 3.633 309 1HD2 LEU 42 1HD2 LEU 42 -3.063 5.494 5.943 310 2HD2 LEU 42 2HD2 LEU 42 -3.269 3.994 5.037 311 3HD2 LEU 42 3HD2 LEU 42 -4.057 5.473 4.486 312 H GLY 43 H GLY 43 0.419 5.396 3.463 313 1HA GLY 43 2HA GLY 43 2.625 6.180 3.189 314 2HA GLY 43 1HA GLY 43 2.255 6.564 1.512 315 H CYS 44 H CYS 44 1.888 8.616 1.012 316 HA CYS 44 HA CYS 44 1.397 10.816 1.171 317 1HB CYS 44 2HB CYS 44 -0.603 10.259 2.468 318 2HB CYS 44 1HB CYS 44 0.364 10.162 3.938 319 H ALA 45 H ALA 45 3.567 11.283 0.984 320 HA ALA 45 HA ALA 45 4.701 12.700 3.196 321 1HB ALA 45 1HB ALA 45 6.808 11.355 3.288 322 2HB ALA 45 2HB ALA 45 5.984 10.111 2.350 323 3HB ALA 45 3HB ALA 45 5.390 10.545 3.953 324 H ALA 46 H ALA 46 6.366 14.077 2.584 325 HA ALA 46 HA ALA 46 7.019 14.080 -0.289 326 1HB ALA 46 1HB ALA 46 7.286 16.670 0.280 327 2HB ALA 46 2HB ALA 46 6.059 16.253 1.476 328 3HB ALA 46 3HB ALA 46 5.754 15.964 -0.237 329 H THR 47 H THR 47 8.875 12.796 0.386 330 HA THR 47 HA THR 47 11.196 14.384 0.621 331 HB THR 47 HB THR 47 10.900 14.674 2.892 332 HG1 THR 47 1HG THR 47 12.863 13.823 2.937 333 1HG2 THR 47 1HG2 THR 47 10.370 12.376 4.234 334 2HG2 THR 47 2HG2 THR 47 9.388 12.181 2.781 335 3HG2 THR 47 3HG2 THR 47 9.177 13.602 3.805 336 H CYS 48 H CYS 48 9.750 11.190 1.037 337 HA CYS 48 HA CYS 48 10.388 9.116 0.341 338 1HB CYS 48 2HB CYS 48 12.285 10.462 -1.577 339 2HB CYS 48 1HB CYS 48 11.432 8.935 -1.773 340 HA PRO 49 HA PRO 49 14.510 9.600 2.619 341 1HB PRO 49 2HB PRO 49 13.712 8.781 5.072 342 2HB PRO 49 1HB PRO 49 13.633 10.474 4.567 343 1HG PRO 49 2HG PRO 49 11.457 8.420 4.657 344 2HG PRO 49 1HG PRO 49 11.411 10.123 5.149 345 1HD PRO 49 2HD PRO 49 10.429 9.239 2.771 346 2HD PRO 49 1HD PRO 49 11.102 10.865 2.995 347 H SER 50 H SER 50 12.101 7.301 1.982 348 HA SER 50 HA SER 50 13.035 4.963 3.137 349 1HB SER 50 2HB SER 50 10.883 5.372 1.807 350 2HB SER 50 1HB SER 50 11.856 5.097 0.363 351 HG SER 50 HG SER 50 11.648 3.049 0.731 352 H LYS 51 H LYS 51 14.536 3.441 2.598 353 HA LYS 51 HA LYS 51 15.934 3.392 0.124 354 1HB LYS 51 2HB LYS 51 18.170 4.001 1.004 355 2HB LYS 51 1HB LYS 51 17.049 5.355 0.995 356 1HG LYS 51 2HG LYS 51 16.640 4.432 3.486 357 2HG LYS 51 1HG LYS 51 18.327 3.969 3.253 358 1HD LYS 51 2HD LYS 51 18.374 6.493 2.291 359 2HD LYS 51 1HD LYS 51 17.109 6.641 3.513 360 1HE LYS 51 2HE LYS 51 19.110 5.177 4.763 361 2HE LYS 51 1HE LYS 51 19.980 6.394 3.830 362 1HZ LYS 51 1HZ LYS 51 19.573 7.645 5.634 363 2HZ LYS 51 2HZ LYS 51 18.252 6.716 6.136 364 3HZ LYS 51 3HZ LYS 51 18.055 7.876 4.921 365 H LYS 52 H LYS 52 14.529 1.595 1.874 366 HA LYS 52 HA LYS 52 16.501 -0.096 3.135 367 1HB LYS 52 2HB LYS 52 13.721 -1.045 2.615 368 2HB LYS 52 1HB LYS 52 14.732 -1.270 4.034 369 1HG LYS 52 2HG LYS 52 14.352 1.411 4.098 370 2HG LYS 52 1HG LYS 52 12.832 0.867 3.387 371 1HD LYS 52 2HD LYS 52 13.121 -0.923 5.400 372 2HD LYS 52 1HD LYS 52 13.893 0.497 6.107 373 1HE LYS 52 2HE LYS 52 11.074 0.193 5.119 374 2HE LYS 52 1HE LYS 52 11.629 0.643 6.730 375 1HZ LYS 52 1HZ LYS 52 11.295 2.283 4.361 376 2HZ LYS 52 2HZ LYS 52 12.690 2.600 5.266 377 3HZ LYS 52 3HZ LYS 52 11.168 2.701 5.996 378 HA PRO 53 HA PRO 53 17.547 -2.856 -0.122 379 1HB PRO 53 2HB PRO 53 16.996 -5.326 1.028 380 2HB PRO 53 1HB PRO 53 18.494 -4.413 1.237 381 1HG PRO 53 2HG PRO 53 16.116 -4.593 3.033 382 2HG PRO 53 1HG PRO 53 17.837 -4.531 3.451 383 1HD PRO 53 2HD PRO 53 16.262 -2.380 3.705 384 2HD PRO 53 1HD PRO 53 17.949 -2.228 3.169 385 H TYR 54 H TYR 54 14.911 -4.643 1.467 386 HA TYR 54 HA TYR 54 13.724 -5.348 -1.043 387 1HB TYR 54 2HB TYR 54 11.827 -5.714 1.048 388 2HB TYR 54 1HB TYR 54 12.835 -6.934 0.269 389 HD1 TYR 54 1HD TYR 54 12.403 -4.825 3.201 390 HD2 TYR 54 2HD TYR 54 14.983 -7.572 1.240 391 HE1 TYR 54 1HE TYR 54 13.716 -5.041 5.254 392 HE2 TYR 54 2HE TYR 54 16.301 -7.813 3.287 393 HH TYR 54 HH TYR 54 15.955 -5.716 5.959 394 H GLU 55 H GLU 55 11.909 -3.837 1.596 395 HA GLU 55 HA GLU 55 10.120 -2.412 1.515 396 1HB GLU 55 2HB GLU 55 10.724 -0.179 0.560 397 2HB GLU 55 1HB GLU 55 11.866 -0.819 1.728 398 1HG GLU 55 2HG GLU 55 13.412 -1.403 0.020 399 2HG GLU 55 1HG GLU 55 12.229 -1.066 -1.242 400 H GLU 56 H GLU 56 9.535 -0.442 -0.560 401 HA GLU 56 HA GLU 56 9.126 -1.682 -3.054 402 1HB GLU 56 2HB GLU 56 7.636 -3.075 -1.637 403 2HB GLU 56 1HB GLU 56 6.722 -1.629 -1.234 404 1HG GLU 56 2HG GLU 56 5.583 -2.879 -2.954 405 2HG GLU 56 1HG GLU 56 6.148 -1.340 -3.601 406 H VAL 57 H VAL 57 7.924 0.640 -0.678 407 HA VAL 57 HA VAL 57 6.458 2.351 -2.238 408 HB VAL 57 HB VAL 57 7.103 4.172 -0.710 409 1HG1 VAL 57 1HG1 VAL 57 5.416 2.418 -0.106 410 2HG1 VAL 57 2HG1 VAL 57 6.163 3.239 1.265 411 3HG1 VAL 57 3HG1 VAL 57 6.686 1.617 0.819 412 1HG2 VAL 57 1HG2 VAL 57 8.929 4.162 0.602 413 2HG2 VAL 57 2HG2 VAL 57 9.515 2.942 -0.529 414 3HG2 VAL 57 3HG2 VAL 57 8.766 2.449 0.990 415 H THR 58 H THR 58 6.880 4.247 -3.392 416 HA THR 58 HA THR 58 9.633 4.881 -4.089 417 HB THR 58 HB THR 58 9.137 3.248 -5.774 418 HG1 THR 58 1HG THR 58 10.074 5.307 -6.445 419 1HG2 THR 58 1HG2 THR 58 6.544 4.702 -6.076 420 2HG2 THR 58 2HG2 THR 58 6.838 2.976 -5.859 421 3HG2 THR 58 3HG2 THR 58 7.221 3.749 -7.397 422 H CYS 59 H CYS 59 7.168 6.087 -2.770 423 HA CYS 59 HA CYS 59 6.217 8.135 -2.567 424 1HB CYS 59 2HB CYS 59 8.732 8.664 -4.027 425 2HB CYS 59 1HB CYS 59 7.513 9.937 -4.115 426 H CYS 60 H CYS 60 4.320 8.730 -3.369 427 HA CYS 60 HA CYS 60 3.692 8.117 -6.125 428 1HB CYS 60 2HB CYS 60 2.211 7.738 -4.032 429 2HB CYS 60 1HB CYS 60 1.814 9.441 -4.190 430 H SER 61 H SER 61 3.545 11.017 -4.054 431 HA SER 61 HA SER 61 3.513 13.240 -4.549 432 1HB SER 61 2HB SER 61 4.984 13.115 -7.056 433 2HB SER 61 1HB SER 61 5.460 13.815 -5.505 434 HG SER 61 HG SER 61 6.305 11.901 -4.885 435 H THR 62 H THR 62 1.464 13.780 -5.037 436 HA THR 62 HA THR 62 -0.465 14.107 -6.228 437 HB THR 62 HB THR 62 -0.155 15.609 -8.114 438 HG1 THR 62 1HG THR 62 2.604 14.981 -7.973 439 1HG2 THR 62 1HG2 THR 62 0.908 16.080 -5.584 440 2HG2 THR 62 2HG2 THR 62 0.473 17.275 -6.805 441 3HG2 THR 62 3HG2 THR 62 2.124 16.660 -6.721 442 H ASP 63 H ASP 63 -1.382 12.146 -6.756 443 HA ASP 63 HA ASP 63 -1.645 11.477 -9.440 444 1HB ASP 63 2HB ASP 63 0.819 10.635 -8.576 445 2HB ASP 63 1HB ASP 63 -0.159 9.183 -8.381 446 H LYS 64 H LYS 64 -2.217 10.824 -6.140 447 HA LYS 64 HA LYS 64 -3.643 9.433 -5.027 448 1HB LYS 64 2HB LYS 64 -5.899 9.333 -5.933 449 2HB LYS 64 1HB LYS 64 -5.225 10.945 -6.155 450 1HG LYS 64 2HG LYS 64 -4.850 10.544 -8.476 451 2HG LYS 64 1HG LYS 64 -5.262 8.837 -8.304 452 1HD LYS 64 2HD LYS 64 -7.389 10.532 -7.322 453 2HD LYS 64 1HD LYS 64 -6.981 10.926 -8.992 454 1HE LYS 64 2HE LYS 64 -7.702 8.203 -7.916 455 2HE LYS 64 1HE LYS 64 -8.716 9.232 -8.925 456 1HZ LYS 64 1HZ LYS 64 -7.835 7.975 -10.552 457 2HZ LYS 64 2HZ LYS 64 -6.459 7.560 -9.662 458 3HZ LYS 64 3HZ LYS 64 -6.542 9.061 -10.439 459 H CYS 65 H CYS 65 -1.652 8.142 -6.635 460 HA CYS 65 HA CYS 65 -1.845 6.166 -8.240 461 1HB CYS 65 2HB CYS 65 -0.970 4.643 -6.071 462 2HB CYS 65 1HB CYS 65 0.025 5.578 -7.178 463 H ASN 66 H ASN 66 -3.024 5.384 -4.965 464 HA ASN 66 HA ASN 66 -4.833 4.188 -4.270 465 1HB ASN 66 2HB ASN 66 -5.985 5.289 -6.281 466 2HB ASN 66 1HB ASN 66 -5.675 3.783 -7.134 467 1HD2 ASN 66 1HD2 ASN 66 -6.563 4.272 -3.750 468 2HD2 ASN 66 2HD2 ASN 66 -8.051 3.403 -3.833 469 HA PRO 67 HA PRO 67 -2.438 0.383 -5.121 470 1HB PRO 67 2HB PRO 67 -3.053 -0.207 -2.319 471 2HB PRO 67 1HB PRO 67 -1.483 -0.046 -3.108 472 1HG PRO 67 2HG PRO 67 -2.409 1.779 -1.346 473 2HG PRO 67 1HG PRO 67 -1.366 2.216 -2.711 474 1HD PRO 67 2HD PRO 67 -4.334 2.500 -2.427 475 2HD PRO 67 1HD PRO 67 -3.156 3.627 -3.133 476 H HIS 68 H HIS 68 -3.062 -1.958 -4.082 477 HA HIS 68 HA HIS 68 -5.703 -2.611 -3.546 478 1HB HIS 68 2HB HIS 68 -6.360 -3.568 -5.802 479 2HB HIS 68 1HB HIS 68 -6.393 -1.812 -5.676 480 HD1 HIS 68 1HD HIS 68 -5.006 -4.533 -7.659 481 HD2 HIS 68 2HD HIS 68 -4.066 -0.552 -6.925 482 HE1 HIS 68 1HE HIS 68 -3.425 -3.865 -9.497 483 HE2 HIS 68 2HE HIS 68 -2.813 -1.475 -8.991 484 HA PRO 69 HA PRO 69 -3.997 -6.594 -2.791 485 1HB PRO 69 2HB PRO 69 -6.289 -7.803 -4.245 486 2HB PRO 69 1HB PRO 69 -5.728 -8.083 -2.594 487 1HG PRO 69 2HG PRO 69 -7.931 -6.656 -3.079 488 2HG PRO 69 1HG PRO 69 -6.823 -6.228 -1.765 489 1HD PRO 69 2HD PRO 69 -7.176 -4.953 -4.440 490 2HD PRO 69 1HD PRO 69 -6.807 -4.204 -2.874 491 H LYS 70 H LYS 70 -2.493 -7.837 -3.795 492 HA LYS 70 HA LYS 70 -2.354 -7.701 -6.695 493 1HB LYS 70 2HB LYS 70 -0.288 -7.155 -5.794 494 2HB LYS 70 1HB LYS 70 -0.425 -8.330 -4.500 495 1HG LYS 70 2HG LYS 70 1.158 -9.316 -5.779 496 2HG LYS 70 1HG LYS 70 -0.285 -10.048 -6.473 497 1HD LYS 70 2HD LYS 70 1.176 -7.642 -7.562 498 2HD LYS 70 1HD LYS 70 1.251 -9.279 -8.218 499 1HE LYS 70 2HE LYS 70 -1.290 -9.108 -8.441 500 2HE LYS 70 1HE LYS 70 -1.074 -7.378 -8.177 501 1HZ LYS 70 1HZ LYS 70 0.687 -7.704 -10.079 502 2HZ LYS 70 2HZ LYS 70 -0.949 -7.458 -10.431 503 3HZ LYS 70 3HZ LYS 70 -0.302 -9.021 -10.472 504 H GLN 71 H GLN 71 -2.234 -10.188 -4.113 505 HA GLN 71 HA GLN 71 -2.454 -12.324 -6.033 506 1HB GLN 71 2HB GLN 71 -1.327 -12.412 -3.723 507 2HB GLN 71 1HB GLN 71 -2.953 -12.588 -3.077 508 1HG GLN 71 2HG GLN 71 -1.806 -14.736 -3.366 509 2HG GLN 71 1HG GLN 71 -3.281 -14.619 -4.325 510 1HE2 GLN 71 1HE2 GLN 71 -2.739 -16.073 -5.878 511 2HE2 GLN 71 2HE2 GLN 71 -1.446 -15.844 -7.001 512 H ARG 72 H ARG 72 -4.492 -10.852 -6.744 513 HA ARG 72 HA ARG 72 -6.891 -11.737 -5.360 514 1HB ARG 72 2HB ARG 72 -7.969 -9.939 -6.228 515 2HB ARG 72 1HB ARG 72 -6.326 -9.329 -6.326 516 1HG ARG 72 2HG ARG 72 -6.547 -10.538 -8.735 517 2HG ARG 72 1HG ARG 72 -8.215 -10.037 -8.461 518 1HD ARG 72 2HD ARG 72 -7.447 -8.128 -9.417 519 2HD ARG 72 1HD ARG 72 -6.998 -7.781 -7.748 520 HE ARG 72 HE ARG 72 -4.876 -9.129 -8.986 521 1HH1 ARG 72 1HH1 ARG 72 -6.517 -6.052 -9.129 522 2HH1 ARG 72 2HH1 ARG 72 -5.119 -5.188 -9.672 523 1HH2 ARG 72 1HH2 ARG 72 -3.032 -7.995 -9.700 524 2HH2 ARG 72 2HH2 ARG 72 -3.139 -6.292 -9.999 525 HA PRO 73 HA PRO 73 -7.475 -13.750 -9.646 526 1HB PRO 73 2HB PRO 73 -5.335 -14.282 -11.159 527 2HB PRO 73 1HB PRO 73 -6.096 -12.688 -11.168 528 1HG PRO 73 2HG PRO 73 -3.598 -13.587 -9.813 529 2HG PRO 73 1HG PRO 73 -3.953 -12.043 -10.604 530 1HD PRO 73 2HD PRO 73 -4.043 -12.517 -7.865 531 2HD PRO 73 1HD PRO 73 -4.813 -11.155 -8.698 532 H GLY 74 H GLY 74 -8.021 -15.541 -8.425 533 1HA GLY 74 2HA GLY 74 -6.548 -17.902 -8.832 534 2HA GLY 74 1HA GLY 74 -6.228 -17.319 -7.202 535 1H TYR 181 1HT TYR 181 -10.005 -15.716 22.095 536 2H TYR 181 2HT TYR 181 -9.459 -15.755 20.469 537 3H TYR 181 3HT TYR 181 -9.370 -14.299 21.370 538 HA TYR 181 HA TYR 181 -7.328 -14.825 21.812 539 1HB TYR 181 2HB TYR 181 -7.047 -16.109 23.779 540 2HB TYR 181 1HB TYR 181 -8.681 -15.469 23.880 541 HD1 TYR 181 1HD TYR 181 -9.698 -17.602 21.741 542 HD2 TYR 181 2HD TYR 181 -7.562 -17.836 25.415 543 HE1 TYR 181 1HE TYR 181 -10.561 -19.876 22.090 544 HE2 TYR 181 2HE TYR 181 -8.418 -20.113 25.772 545 HH TYR 181 HH TYR 181 -10.213 -21.536 25.083 546 H ARG 182 H ARG 182 -6.277 -17.518 22.538 547 HA ARG 182 HA ARG 182 -5.303 -19.331 21.571 548 1HB ARG 182 2HB ARG 182 -7.559 -19.977 20.852 549 2HB ARG 182 1HB ARG 182 -7.399 -18.971 19.420 550 1HG ARG 182 2HG ARG 182 -7.026 -21.245 18.800 551 2HG ARG 182 1HG ARG 182 -5.491 -20.381 18.702 552 1HD ARG 182 2HD ARG 182 -5.020 -21.237 21.039 553 2HD ARG 182 1HD ARG 182 -6.413 -22.298 20.829 554 HE ARG 182 HE ARG 182 -3.812 -22.611 19.670 555 1HH1 ARG 182 1HH1 ARG 182 -7.205 -23.317 19.251 556 2HH1 ARG 182 2HH1 ARG 182 -6.921 -24.703 18.252 557 1HH2 ARG 182 1HH2 ARG 182 -3.437 -24.432 18.355 558 2HH2 ARG 182 2HH2 ARG 182 -4.783 -25.336 17.743 559 H GLY 183 H GLY 183 -6.274 -17.295 18.798 560 1HA GLY 183 2HA GLY 183 -3.845 -17.659 17.407 561 2HA GLY 183 1HA GLY 183 -5.029 -16.399 17.089 562 H TRP 184 H TRP 184 -2.035 -16.385 17.177 563 HA TRP 184 HA TRP 184 -1.718 -14.257 19.190 564 1HB TRP 184 2HB TRP 184 0.856 -15.059 18.560 565 2HB TRP 184 1HB TRP 184 -0.041 -15.505 20.006 566 HD1 TRP 184 HD TRP 184 0.260 -16.883 16.375 567 HE1 TRP 184 1HE TRP 184 0.322 -19.453 16.519 568 HE3 TRP 184 3HE TRP 184 -0.222 -17.425 21.436 569 HZ2 TRP 184 2HZ TRP 184 0.185 -21.446 18.516 570 HZ3 TRP 184 3HZ TRP 184 -0.247 -19.697 22.383 571 HH2 TRP 184 HH TRP 184 -0.049 -21.663 20.951 572 H LYS 185 H LYS 185 -0.902 -15.330 15.929 573 HA LYS 185 HA LYS 185 -0.231 -12.537 15.271 574 1HB LYS 185 2HB LYS 185 1.404 -14.782 15.018 575 2HB LYS 185 1HB LYS 185 0.823 -14.480 13.386 576 1HG LYS 185 2HG LYS 185 1.633 -12.188 13.506 577 2HG LYS 185 1HG LYS 185 2.190 -12.464 15.158 578 1HD LYS 185 2HD LYS 185 3.138 -14.106 12.822 579 2HD LYS 185 1HD LYS 185 3.946 -12.625 13.338 580 1HE LYS 185 2HE LYS 185 3.379 -14.793 15.317 581 2HE LYS 185 1HE LYS 185 4.762 -14.930 14.233 582 1HZ LYS 185 1HZ LYS 185 4.468 -12.393 15.621 583 2HZ LYS 185 2HZ LYS 185 5.863 -13.288 15.284 584 3HZ LYS 185 3HZ LYS 185 4.876 -13.721 16.588 585 H HIS 186 H HIS 186 -0.732 -11.857 13.089 586 HA HIS 186 HA HIS 186 -2.671 -13.466 11.629 587 1HB HIS 186 2HB HIS 186 -3.470 -11.374 13.378 588 2HB HIS 186 1HB HIS 186 -3.709 -10.797 11.728 589 HD1 HIS 186 1HD HIS 186 -4.812 -13.533 14.073 590 HD2 HIS 186 2HD HIS 186 -5.833 -11.928 10.378 591 HE1 HIS 186 1HE HIS 186 -7.006 -14.598 13.461 592 HE2 HIS 186 2HE HIS 186 -7.542 -13.700 11.170 593 H TRP 187 H TRP 187 -3.540 -11.479 9.867 594 HA TRP 187 HA TRP 187 -1.248 -11.276 8.161 595 1HB TRP 187 2HB TRP 187 -4.030 -10.141 7.820 596 2HB TRP 187 1HB TRP 187 -2.799 -10.227 6.565 597 HD1 TRP 187 HD TRP 187 -4.679 -12.732 8.876 598 HE1 TRP 187 1HE TRP 187 -5.129 -14.866 7.512 599 HE3 TRP 187 3HE TRP 187 -2.356 -11.416 4.515 600 HZ2 TRP 187 2HZ TRP 187 -4.573 -15.862 4.929 601 HZ3 TRP 187 3HZ TRP 187 -2.360 -13.015 2.647 602 HH2 TRP 187 HH TRP 187 -3.446 -15.193 2.851 603 H VAL 188 H VAL 188 -0.526 -9.274 7.160 604 HA VAL 188 HA VAL 188 -0.121 -7.222 9.133 605 HB VAL 188 HB VAL 188 1.830 -7.550 7.972 606 1HG1 VAL 188 1HG1 VAL 188 0.079 -8.298 5.753 607 2HG1 VAL 188 2HG1 VAL 188 1.648 -8.939 6.232 608 3HG1 VAL 188 3HG1 VAL 188 1.556 -7.470 5.262 609 1HG2 VAL 188 1HG2 VAL 188 0.794 -5.117 7.749 610 2HG2 VAL 188 2HG2 VAL 188 0.928 -5.500 6.033 611 3HG2 VAL 188 3HG2 VAL 188 2.362 -5.539 7.059 612 H TYR 189 H TYR 189 -0.804 -6.642 5.694 613 HA TYR 189 HA TYR 189 -3.057 -4.930 6.486 614 1HB TYR 189 2HB TYR 189 -0.603 -4.206 4.999 615 2HB TYR 189 1HB TYR 189 -2.115 -3.606 4.313 616 HD1 TYR 189 1HD TYR 189 -3.730 -2.927 6.597 617 HD2 TYR 189 2HD TYR 189 0.464 -2.453 6.062 618 HE1 TYR 189 1HE TYR 189 -3.737 -1.083 8.225 619 HE2 TYR 189 2HE TYR 189 0.468 -0.608 7.689 620 HH TYR 189 HH TYR 189 -2.262 0.970 8.688 621 H TYR 190 H TYR 190 -4.869 -5.355 5.397 622 HA TYR 190 HA TYR 190 -4.677 -6.543 2.722 623 1HB TYR 190 2HB TYR 190 -5.093 -8.187 4.745 624 2HB TYR 190 1HB TYR 190 -6.746 -7.599 4.584 625 HD1 TYR 190 1HD TYR 190 -7.052 -7.342 1.687 626 HD2 TYR 190 2HD TYR 190 -5.104 -10.365 3.960 627 HE1 TYR 190 1HE TYR 190 -7.456 -8.957 -0.124 628 HE2 TYR 190 2HE TYR 190 -5.499 -11.987 2.156 629 HH TYR 190 HH TYR 190 -7.642 -11.416 -0.391 630 H THR 191 H THR 191 -5.742 -5.296 1.407 631 HA THR 191 HA THR 191 -7.934 -3.630 2.367 632 HB THR 191 HB THR 191 -6.461 -2.385 1.028 633 HG1 THR 191 1HG THR 191 -7.810 -1.658 -0.451 634 1HG2 THR 191 1HG2 THR 191 -5.144 -4.097 -0.001 635 2HG2 THR 191 2HG2 THR 191 -5.790 -3.039 -1.254 636 3HG2 THR 191 3HG2 THR 191 -6.515 -4.619 -0.975 637 H CYS 192 H CYS 192 -8.584 -6.289 2.432 638 HA CYS 192 HA CYS 192 -9.741 -7.465 0.221 639 1HB CYS 192 2HB CYS 192 -9.892 -8.928 1.950 640 2HB CYS 192 1HB CYS 192 -10.124 -7.662 3.140 641 H CYS 193 H CYS 193 -12.070 -7.888 0.042 642 HA CYS 193 HA CYS 193 -14.065 -7.076 -0.759 643 1HB CYS 193 2HB CYS 193 -14.857 -5.553 1.446 644 2HB CYS 193 1HB CYS 193 -15.087 -7.284 1.226 645 HA PRO 194 HA PRO 194 -12.779 -2.806 -1.936 646 1HB PRO 194 2HB PRO 194 -12.614 -3.147 -4.573 647 2HB PRO 194 1HB PRO 194 -11.329 -3.716 -3.502 648 1HG PRO 194 2HG PRO 194 -13.497 -5.264 -4.847 649 2HG PRO 194 1HG PRO 194 -11.805 -5.711 -4.571 650 1HD PRO 194 2HD PRO 194 -13.977 -6.524 -3.020 651 2HD PRO 194 1HD PRO 194 -12.274 -6.589 -2.527 652 H ASP 195 H ASP 195 -15.510 -3.995 -1.496 653 HA ASP 195 HA ASP 195 -16.997 -1.960 -2.850 654 1HB ASP 195 2HB ASP 195 -16.715 -4.115 -4.406 655 2HB ASP 195 1HB ASP 195 -18.080 -4.672 -3.437 656 H THR 196 H THR 196 -17.077 -1.672 -0.445 657 HA THR 196 HA THR 196 -19.530 -2.922 0.579 658 HB THR 196 HB THR 196 -18.503 -3.364 2.758 659 HG1 THR 196 1HG THR 196 -16.022 -2.737 1.546 660 1HG2 THR 196 1HG2 THR 196 -16.910 -5.180 2.134 661 2HG2 THR 196 2HG2 THR 196 -17.070 -4.658 0.457 662 3HG2 THR 196 3HG2 THR 196 -18.479 -5.258 1.331 663 HA PRO 197 HA PRO 197 -19.025 1.637 1.687 664 1HB PRO 197 2HB PRO 197 -20.915 2.371 -0.368 665 2HB PRO 197 1HB PRO 197 -19.245 2.906 -0.190 666 1HG PRO 197 2HG PRO 197 -20.154 1.300 -2.228 667 2HG PRO 197 1HG PRO 197 -18.471 1.378 -1.686 668 1HD PRO 197 2HD PRO 197 -20.565 -0.666 -1.091 669 2HD PRO 197 1HD PRO 197 -18.823 -0.872 -1.354 670 H TYR 198 H TYR 198 -20.845 -0.899 1.745 671 HA TYR 198 HA TYR 198 -23.487 0.033 2.236 672 1HB TYR 198 2HB TYR 198 -22.869 -2.179 1.250 673 2HB TYR 198 1HB TYR 198 -22.164 -2.636 2.801 674 HD1 TYR 198 1HD TYR 198 -25.395 -1.434 1.345 675 HD2 TYR 198 2HD TYR 198 -23.481 -3.780 4.334 676 HE1 TYR 198 1HE TYR 198 -27.587 -2.262 2.091 677 HE2 TYR 198 2HE TYR 198 -25.668 -4.615 5.088 678 HH TYR 198 HH TYR 198 -28.484 -4.268 3.296 Start of MODEL 17 1 1H ILE 1 1HT ILE 1 -2.239 17.138 -4.914 2 2H ILE 1 2HT ILE 1 -1.674 16.240 -6.262 3 3H ILE 1 3HT ILE 1 -2.162 15.428 -4.831 4 HA ILE 1 HA ILE 1 -4.054 17.168 -6.172 5 HB ILE 1 HB ILE 1 -3.307 15.961 -8.065 6 1HG1 ILE 1 2HG1 ILE 1 -5.220 14.598 -8.670 7 2HG1 ILE 1 1HG1 ILE 1 -5.641 14.375 -6.976 8 1HG2 ILE 1 1HG2 ILE 1 -3.639 13.247 -6.978 9 2HG2 ILE 1 2HG2 ILE 1 -2.253 14.154 -6.371 10 3HG2 ILE 1 3HG2 ILE 1 -2.442 13.885 -8.103 11 1HD1 ILE 1 1HD1 ILE 1 -5.481 17.169 -7.834 12 2HD1 ILE 1 2HD1 ILE 1 -6.694 16.343 -6.857 13 3HD1 ILE 1 3HD1 ILE 1 -6.746 16.220 -8.615 14 H VAL 2 H VAL 2 -3.496 13.896 -4.830 15 HA VAL 2 HA VAL 2 -5.167 14.223 -2.624 16 HB VAL 2 HB VAL 2 -6.775 14.216 -4.732 17 1HG1 VAL 2 1HG1 VAL 2 -7.511 12.170 -5.499 18 2HG1 VAL 2 2HG1 VAL 2 -6.877 11.298 -4.103 19 3HG1 VAL 2 3HG1 VAL 2 -5.775 11.902 -5.341 20 1HG2 VAL 2 1HG2 VAL 2 -7.109 14.014 -2.067 21 2HG2 VAL 2 2HG2 VAL 2 -7.835 12.496 -2.594 22 3HG2 VAL 2 3HG2 VAL 2 -8.436 14.028 -3.228 23 H CYS 3 H CYS 3 -6.139 11.687 -2.189 24 HA CYS 3 HA CYS 3 -4.009 9.796 -2.792 25 1HB CYS 3 2HB CYS 3 -3.690 11.194 -0.535 26 2HB CYS 3 1HB CYS 3 -4.776 9.948 0.079 27 H HIS 4 H HIS 4 -6.964 10.303 -0.893 28 HA HIS 4 HA HIS 4 -8.761 9.007 -0.459 29 1HB HIS 4 2HB HIS 4 -9.902 8.244 -2.306 30 2HB HIS 4 1HB HIS 4 -8.761 9.355 -3.054 31 HD1 HIS 4 1HD HIS 4 -9.536 5.706 -2.708 32 HD2 HIS 4 2HD HIS 4 -6.913 8.172 -4.780 33 HE1 HIS 4 1HE HIS 4 -8.497 4.251 -4.472 34 HE2 HIS 4 2HE HIS 4 -6.805 5.725 -5.609 35 H THR 5 H THR 5 -8.605 7.580 1.095 36 HA THR 5 HA THR 5 -6.741 5.379 0.958 37 HB THR 5 HB THR 5 -6.895 6.432 3.074 38 HG1 THR 5 1HG THR 5 -6.934 4.073 3.058 39 1HG2 THR 5 1HG2 THR 5 -9.867 6.058 2.878 40 2HG2 THR 5 2HG2 THR 5 -8.967 7.567 3.023 41 3HG2 THR 5 3HG2 THR 5 -9.029 6.443 4.380 42 H THR 6 H THR 6 -7.253 3.630 -0.172 43 HA THR 6 HA THR 6 -10.033 2.759 -0.346 44 HB THR 6 HB THR 6 -7.674 1.479 -1.713 45 HG1 THR 6 1HG THR 6 -9.221 3.641 -2.686 46 1HG2 THR 6 1HG2 THR 6 -9.733 1.480 -3.475 47 2HG2 THR 6 2HG2 THR 6 -10.580 1.270 -1.943 48 3HG2 THR 6 3HG2 THR 6 -9.312 0.137 -2.413 49 H ALA 7 H ALA 7 -8.112 2.429 2.046 50 HA ALA 7 HA ALA 7 -7.495 -0.279 2.380 51 1HB ALA 7 1HB ALA 7 -7.080 1.973 3.841 52 2HB ALA 7 2HB ALA 7 -6.780 0.335 4.422 53 3HB ALA 7 3HB ALA 7 -8.294 1.148 4.819 54 H THR 8 H THR 8 -9.295 -1.440 1.553 55 HA THR 8 HA THR 8 -11.205 -2.660 1.716 56 HB THR 8 HB THR 8 -11.801 -3.486 3.811 57 HG1 THR 8 1HG THR 8 -10.845 -1.120 5.041 58 1HG2 THR 8 1HG2 THR 8 -9.823 -3.763 5.153 59 2HG2 THR 8 2HG2 THR 8 -9.048 -2.399 4.347 60 3HG2 THR 8 3HG2 THR 8 -9.402 -3.872 3.443 61 H SER 9 H SER 9 -11.223 0.394 1.476 62 HA SER 9 HA SER 9 -13.873 0.828 0.964 63 1HB SER 9 2HB SER 9 -14.386 2.342 3.043 64 2HB SER 9 1HB SER 9 -14.646 0.601 3.149 65 HG SER 9 HG SER 9 -13.002 0.421 4.488 66 HA PRO 10 HA PRO 10 -11.332 4.395 -0.211 67 1HB PRO 10 2HB PRO 10 -12.200 4.681 -2.685 68 2HB PRO 10 1HB PRO 10 -11.263 3.242 -2.263 69 1HG PRO 10 2HG PRO 10 -14.241 3.555 -2.463 70 2HG PRO 10 1HG PRO 10 -13.207 2.308 -3.188 71 1HD PRO 10 2HD PRO 10 -14.555 1.973 -0.816 72 2HD PRO 10 1HD PRO 10 -13.050 1.123 -1.217 73 H ILE 11 H ILE 11 -13.060 5.947 -2.240 74 HA ILE 11 HA ILE 11 -14.377 7.791 -2.210 75 HB ILE 11 HB ILE 11 -15.970 5.813 -1.715 76 1HG1 ILE 11 2HG1 ILE 11 -17.273 8.361 -0.969 77 2HG1 ILE 11 1HG1 ILE 11 -16.333 8.376 -2.458 78 1HG2 ILE 11 1HG2 ILE 11 -17.348 6.525 0.410 79 2HG2 ILE 11 2HG2 ILE 11 -15.775 7.096 0.956 80 3HG2 ILE 11 3HG2 ILE 11 -15.995 5.402 0.524 81 1HD1 ILE 11 1HD1 ILE 11 -18.821 7.847 -2.617 82 2HD1 ILE 11 2HD1 ILE 11 -18.401 6.275 -1.936 83 3HD1 ILE 11 3HD1 ILE 11 -17.701 6.786 -3.471 84 H SER 12 H SER 12 -12.558 7.071 0.397 85 HA SER 12 HA SER 12 -13.539 8.834 2.375 86 1HB SER 12 2HB SER 12 -11.535 6.938 2.252 87 2HB SER 12 1HB SER 12 -10.639 8.449 2.404 88 HG SER 12 HG SER 12 -12.172 7.135 4.243 89 H ALA 13 H ALA 13 -11.102 9.205 -0.174 90 HA ALA 13 HA ALA 13 -10.121 11.044 -1.089 91 1HB ALA 13 1HB ALA 13 -11.515 12.757 -1.642 92 2HB ALA 13 2HB ALA 13 -12.194 12.877 -0.018 93 3HB ALA 13 3HB ALA 13 -12.722 11.590 -1.103 94 H VAL 14 H VAL 14 -9.110 10.290 1.350 95 HA VAL 14 HA VAL 14 -8.979 12.169 3.377 96 HB VAL 14 HB VAL 14 -6.712 11.221 3.883 97 1HG1 VAL 14 1HG1 VAL 14 -7.695 8.766 3.987 98 2HG1 VAL 14 2HG1 VAL 14 -9.183 9.607 3.553 99 3HG1 VAL 14 3HG1 VAL 14 -8.311 10.057 5.017 100 1HG2 VAL 14 1HG2 VAL 14 -6.445 9.011 2.371 101 2HG2 VAL 14 2HG2 VAL 14 -5.629 10.534 2.021 102 3HG2 VAL 14 3HG2 VAL 14 -7.120 10.118 1.176 103 H THR 15 H THR 15 -7.139 12.003 0.371 104 HA THR 15 HA THR 15 -5.845 13.521 -0.719 105 HB THR 15 HB THR 15 -6.444 15.766 -0.637 106 HG1 THR 15 1HG THR 15 -7.284 15.470 2.051 107 1HG2 THR 15 1HG2 THR 15 -8.529 13.986 -0.493 108 2HG2 THR 15 2HG2 THR 15 -8.637 15.687 -0.946 109 3HG2 THR 15 3HG2 THR 15 -8.940 15.198 0.721 110 H CYS 16 H CYS 16 -3.823 14.517 -0.581 111 HA CYS 16 HA CYS 16 -2.665 14.644 2.125 112 1HB CYS 16 2HB CYS 16 -2.031 12.570 0.744 113 2HB CYS 16 1HB CYS 16 -1.084 13.679 -0.249 114 HA PRO 17 HA PRO 17 -2.196 18.637 -0.486 115 1HB PRO 17 2HB PRO 17 -2.724 19.582 2.297 116 2HB PRO 17 1HB PRO 17 -3.257 20.264 0.757 117 1HG PRO 17 2HG PRO 17 -4.931 18.853 2.278 118 2HG PRO 17 1HG PRO 17 -4.964 18.721 0.510 119 1HD PRO 17 2HD PRO 17 -3.926 16.804 2.533 120 2HD PRO 17 1HD PRO 17 -4.640 16.495 0.938 121 HA PRO 18 HA PRO 18 1.180 19.680 2.943 122 1HB PRO 18 2HB PRO 18 1.750 17.429 4.480 123 2HB PRO 18 1HB PRO 18 0.835 18.839 5.019 124 1HG PRO 18 2HG PRO 18 -0.146 16.201 4.037 125 2HG PRO 18 1HG PRO 18 -0.800 17.240 5.317 126 1HD PRO 18 2HD PRO 18 -1.951 17.097 2.908 127 2HD PRO 18 1HD PRO 18 -1.888 18.624 3.808 128 H GLY 19 H GLY 19 1.231 16.136 2.476 129 1HA GLY 19 2HA GLY 19 3.869 15.815 1.829 130 2HA GLY 19 1HA GLY 19 2.587 14.820 1.147 131 H GLU 20 H GLU 20 5.022 15.543 -0.175 132 HA GLU 20 HA GLU 20 4.119 17.489 -2.155 133 1HB GLU 20 2HB GLU 20 6.547 17.216 -3.004 134 2HB GLU 20 1HB GLU 20 6.257 18.114 -1.522 135 1HG GLU 20 2HG GLU 20 7.539 16.741 -0.357 136 2HG GLU 20 1HG GLU 20 6.664 15.332 -0.944 137 H ASN 21 H ASN 21 2.697 15.277 -2.387 138 HA ASN 21 HA ASN 21 1.886 13.969 -4.065 139 1HB ASN 21 2HB ASN 21 3.758 15.584 -5.415 140 2HB ASN 21 1HB ASN 21 4.060 13.933 -5.954 141 1HD2 ASN 21 1HD2 ASN 21 2.919 13.295 -7.622 142 2HD2 ASN 21 2HD2 ASN 21 1.384 13.919 -8.110 143 H LEU 22 H LEU 22 2.661 12.551 -2.112 144 HA LEU 22 HA LEU 22 3.829 10.209 -3.347 145 1HB LEU 22 2HB LEU 22 5.312 9.906 -1.218 146 2HB LEU 22 1HB LEU 22 5.886 10.806 -2.601 147 HG LEU 22 HG LEU 22 6.345 11.759 -0.281 148 1HD1 LEU 22 1HD1 LEU 22 5.686 13.010 -2.764 149 2HD1 LEU 22 2HD1 LEU 22 6.879 13.476 -1.554 150 3HD1 LEU 22 3HD1 LEU 22 5.219 14.053 -1.422 151 1HD2 LEU 22 1HD2 LEU 22 3.397 12.283 -0.491 152 2HD2 LEU 22 2HD2 LEU 22 4.461 13.294 0.478 153 3HD2 LEU 22 3HD2 LEU 22 4.301 11.576 0.844 154 H CYS 23 H CYS 23 1.986 9.063 -3.050 155 HA CYS 23 HA CYS 23 0.728 8.965 -0.444 156 1HB CYS 23 2HB CYS 23 0.027 7.977 -3.162 157 2HB CYS 23 1HB CYS 23 -0.752 7.240 -1.764 158 H TYR 24 H TYR 24 3.276 7.973 -0.267 159 HA TYR 24 HA TYR 24 4.595 6.128 0.107 160 1HB TYR 24 2HB TYR 24 2.436 6.394 1.979 161 2HB TYR 24 1HB TYR 24 2.885 4.700 1.840 162 HD1 TYR 24 1HD TYR 24 5.219 7.540 1.432 163 HD2 TYR 24 2HD TYR 24 3.862 4.415 3.983 164 HE1 TYR 24 1HE TYR 24 7.141 7.924 2.915 165 HE2 TYR 24 2HE TYR 24 5.781 4.793 5.473 166 HH TYR 24 HH TYR 24 7.805 7.540 5.203 167 H ARG 25 H ARG 25 1.667 4.228 0.569 168 HA ARG 25 HA ARG 25 0.687 2.722 -0.987 169 1HB ARG 25 2HB ARG 25 2.212 3.423 -2.826 170 2HB ARG 25 1HB ARG 25 3.456 2.384 -2.145 171 1HG ARG 25 2HG ARG 25 1.609 0.543 -2.363 172 2HG ARG 25 1HG ARG 25 0.949 1.650 -3.568 173 1HD ARG 25 2HD ARG 25 3.851 1.035 -3.692 174 2HD ARG 25 1HD ARG 25 2.724 -0.227 -4.187 175 HE ARG 25 HE ARG 25 3.322 2.215 -5.583 176 1HH1 ARG 25 1HH1 ARG 25 0.962 -0.314 -5.120 177 2HH1 ARG 25 2HH1 ARG 25 0.224 -0.080 -6.669 178 1HH2 ARG 25 1HH2 ARG 25 2.355 2.523 -7.621 179 2HH2 ARG 25 2HH2 ARG 25 1.016 1.529 -8.090 180 H LYS 26 H LYS 26 4.037 1.895 -0.070 181 HA LYS 26 HA LYS 26 4.905 0.168 1.136 182 1HB LYS 26 2HB LYS 26 3.104 1.114 2.755 183 2HB LYS 26 1HB LYS 26 2.204 -0.336 2.331 184 1HG LYS 26 2HG LYS 26 3.373 -1.527 3.781 185 2HG LYS 26 1HG LYS 26 4.880 -1.072 2.985 186 1HD LYS 26 2HD LYS 26 5.166 0.808 4.368 187 2HD LYS 26 1HD LYS 26 3.494 0.753 4.929 188 1HE LYS 26 2HE LYS 26 5.599 -1.325 5.521 189 2HE LYS 26 1HE LYS 26 5.100 -0.042 6.625 190 1HZ LYS 26 1HZ LYS 26 3.797 -2.532 5.991 191 2HZ LYS 26 2HZ LYS 26 2.754 -1.200 5.974 192 3HZ LYS 26 3HZ LYS 26 3.653 -1.554 7.363 193 H MET 27 H MET 27 5.420 -1.778 0.325 194 HA MET 27 HA MET 27 3.263 -3.577 -0.481 195 1HB MET 27 2HB MET 27 4.244 -4.024 -2.658 196 2HB MET 27 1HB MET 27 3.851 -2.317 -2.507 197 1HG MET 27 2HG MET 27 6.176 -1.791 -2.077 198 2HG MET 27 1HG MET 27 6.592 -3.502 -2.142 199 1HE MET 27 1HE MET 27 8.052 -4.068 -4.192 200 2HE MET 27 2HE MET 27 8.481 -2.411 -3.768 201 3HE MET 27 3HE MET 27 8.243 -2.855 -5.458 202 H TRP 28 H TRP 28 3.681 -5.690 -0.173 203 HA TRP 28 HA TRP 28 6.437 -6.523 0.388 204 1HB TRP 28 2HB TRP 28 4.979 -6.030 2.498 205 2HB TRP 28 1HB TRP 28 4.188 -7.548 2.093 206 HD1 TRP 28 HD TRP 28 7.822 -7.650 1.280 207 HE1 TRP 28 1HE TRP 28 9.089 -9.004 3.065 208 HE3 TRP 28 3HE TRP 28 4.137 -7.991 4.806 209 HZ2 TRP 28 2HZ TRP 28 8.591 -10.073 5.630 210 HZ3 TRP 28 3HZ TRP 28 4.612 -9.197 6.897 211 HH2 TRP 28 HH TRP 28 6.795 -10.216 7.299 212 H CYS 29 H CYS 29 6.926 -8.608 -0.227 213 HA CYS 29 HA CYS 29 6.732 -10.614 -1.279 214 1HB CYS 29 2HB CYS 29 4.856 -10.987 0.331 215 2HB CYS 29 1HB CYS 29 3.750 -10.357 -0.889 216 H ASP 30 H ASP 30 6.057 -7.819 -2.556 217 HA ASP 30 HA ASP 30 4.831 -8.795 -5.028 218 1HB ASP 30 2HB ASP 30 4.317 -6.528 -3.691 219 2HB ASP 30 1HB ASP 30 5.610 -5.942 -4.734 220 H ALA 31 H ALA 31 7.341 -9.820 -4.606 221 HA ALA 31 HA ALA 31 8.671 -9.188 -6.984 222 1HB ALA 31 1HB ALA 31 10.771 -8.203 -5.962 223 2HB ALA 31 2HB ALA 31 9.799 -7.867 -4.529 224 3HB ALA 31 3HB ALA 31 9.376 -7.129 -6.074 225 H PHE 32 H PHE 32 10.491 -9.685 -4.009 226 HA PHE 32 HA PHE 32 11.184 -12.368 -4.948 227 1HB PHE 32 2HB PHE 32 12.638 -10.271 -3.677 228 2HB PHE 32 1HB PHE 32 12.626 -11.652 -2.586 229 HD1 PHE 32 1HD PHE 32 14.766 -10.196 -4.571 230 HD2 PHE 32 2HD PHE 32 12.695 -13.911 -4.437 231 HE1 PHE 32 1HE PHE 32 16.564 -11.241 -5.885 232 HE2 PHE 32 2HE PHE 32 14.490 -14.964 -5.749 233 HZ PHE 32 HZ PHE 32 16.429 -13.629 -6.474 234 H CYS 33 H CYS 33 9.037 -13.144 -4.329 235 HA CYS 33 HA CYS 33 9.079 -14.303 -1.699 236 1HB CYS 33 2HB CYS 33 8.130 -12.254 -0.999 237 2HB CYS 33 1HB CYS 33 7.109 -12.145 -2.425 238 H SER 34 H SER 34 7.413 -15.919 -1.412 239 HA SER 34 HA SER 34 6.987 -17.551 -3.593 240 1HB SER 34 2HB SER 34 4.907 -18.289 -2.025 241 2HB SER 34 1HB SER 34 6.578 -18.750 -1.703 242 HG SER 34 HG SER 34 5.140 -16.584 -0.572 243 H SER 35 H SER 35 4.595 -15.374 -2.086 244 HA SER 35 HA SER 35 2.799 -15.722 -4.336 245 1HB SER 35 2HB SER 35 2.628 -14.440 -1.647 246 2HB SER 35 1HB SER 35 1.540 -13.862 -2.909 247 HG SER 35 HG SER 35 0.681 -15.896 -3.090 248 H ARG 36 H ARG 36 1.784 -13.682 -5.273 249 HA ARG 36 HA ARG 36 3.957 -11.877 -6.025 250 1HB ARG 36 2HB ARG 36 2.691 -11.405 -8.003 251 2HB ARG 36 1HB ARG 36 2.727 -13.146 -7.780 252 1HG ARG 36 2HG ARG 36 0.522 -13.214 -7.869 253 2HG ARG 36 1HG ARG 36 0.422 -12.150 -6.464 254 1HD ARG 36 2HD ARG 36 1.002 -10.352 -8.387 255 2HD ARG 36 1HD ARG 36 0.113 -11.544 -9.335 256 HE ARG 36 HE ARG 36 -0.964 -9.729 -7.418 257 1HH1 ARG 36 1HH1 ARG 36 -1.379 -12.900 -8.811 258 2HH1 ARG 36 2HH1 ARG 36 -3.080 -12.955 -8.492 259 1HH2 ARG 36 1HH2 ARG 36 -3.201 -9.799 -6.997 260 2HH2 ARG 36 2HH2 ARG 36 -4.115 -11.194 -7.463 261 H GLY 37 H GLY 37 3.435 -10.998 -3.702 262 1HA GLY 37 2HA GLY 37 2.886 -9.008 -2.658 263 2HA GLY 37 1HA GLY 37 2.060 -8.506 -4.124 264 H LYS 38 H LYS 38 1.349 -8.395 -1.243 265 HA LYS 38 HA LYS 38 -1.393 -8.713 -1.420 266 1HB LYS 38 2HB LYS 38 -1.926 -10.689 -0.268 267 2HB LYS 38 1HB LYS 38 -0.700 -11.167 -1.427 268 1HG LYS 38 2HG LYS 38 -0.233 -10.634 1.502 269 2HG LYS 38 1HG LYS 38 -0.353 -12.219 0.741 270 1HD LYS 38 2HD LYS 38 1.586 -11.485 -0.732 271 2HD LYS 38 1HD LYS 38 1.787 -10.136 0.389 272 1HE LYS 38 2HE LYS 38 3.263 -12.006 0.955 273 2HE LYS 38 1HE LYS 38 2.091 -11.691 2.234 274 1HZ LYS 38 1HZ LYS 38 2.456 -14.091 1.603 275 2HZ LYS 38 2HZ LYS 38 1.648 -13.753 0.156 276 3HZ LYS 38 3HZ LYS 38 0.847 -13.570 1.635 277 H VAL 39 H VAL 39 0.621 -6.940 -0.482 278 HA VAL 39 HA VAL 39 -0.403 -6.442 2.205 279 HB VAL 39 HB VAL 39 2.547 -6.347 1.554 280 1HG1 VAL 39 1HG1 VAL 39 2.799 -5.124 3.388 281 2HG1 VAL 39 2HG1 VAL 39 1.925 -6.317 4.347 282 3HG1 VAL 39 3HG1 VAL 39 1.045 -5.025 3.532 283 1HG2 VAL 39 1HG2 VAL 39 0.839 -8.449 2.743 284 2HG2 VAL 39 2HG2 VAL 39 2.400 -8.158 3.510 285 3HG2 VAL 39 3HG2 VAL 39 2.322 -8.590 1.802 286 H VAL 40 H VAL 40 -0.813 -4.315 2.546 287 HA VAL 40 HA VAL 40 0.473 -2.322 0.842 288 HB VAL 40 HB VAL 40 -2.391 -1.793 1.083 289 1HG1 VAL 40 1HG1 VAL 40 -0.614 -0.625 -0.324 290 2HG1 VAL 40 2HG1 VAL 40 -2.154 -0.988 -1.106 291 3HG1 VAL 40 3HG1 VAL 40 -0.744 -2.002 -1.418 292 1HG2 VAL 40 1HG2 VAL 40 -3.074 -3.397 -0.665 293 2HG2 VAL 40 2HG2 VAL 40 -2.603 -4.193 0.836 294 3HG2 VAL 40 3HG2 VAL 40 -1.499 -4.178 -0.539 295 H GLU 41 H GLU 41 0.103 -0.107 1.567 296 HA GLU 41 HA GLU 41 -1.056 0.312 4.173 297 1HB GLU 41 2HB GLU 41 1.557 -0.511 4.168 298 2HB GLU 41 1HB GLU 41 1.731 1.239 4.160 299 1HG GLU 41 2HG GLU 41 0.257 -0.435 6.179 300 2HG GLU 41 1HG GLU 41 1.749 0.472 6.423 301 H LEU 42 H LEU 42 -1.713 1.399 1.705 302 HA LEU 42 HA LEU 42 -0.533 3.778 0.954 303 1HB LEU 42 2HB LEU 42 -3.370 2.810 0.909 304 2HB LEU 42 1HB LEU 42 -3.002 4.449 0.408 305 HG LEU 42 HG LEU 42 -3.173 2.840 -1.476 306 1HD1 LEU 42 1HD1 LEU 42 -0.670 3.410 -2.252 307 2HD1 LEU 42 2HD1 LEU 42 -0.830 4.535 -0.904 308 3HD1 LEU 42 3HD1 LEU 42 -1.978 4.591 -2.241 309 1HD2 LEU 42 1HD2 LEU 42 -2.293 0.858 -0.448 310 2HD2 LEU 42 2HD2 LEU 42 -0.737 1.638 -0.174 311 3HD2 LEU 42 3HD2 LEU 42 -1.269 1.285 -1.818 312 H GLY 43 H GLY 43 -1.007 6.001 1.456 313 1HA GLY 43 2HA GLY 43 -2.690 7.073 3.276 314 2HA GLY 43 1HA GLY 43 -1.431 6.390 4.295 315 H CYS 44 H CYS 44 0.241 7.217 1.619 316 HA CYS 44 HA CYS 44 1.631 8.938 1.097 317 1HB CYS 44 2HB CYS 44 -0.451 10.125 0.597 318 2HB CYS 44 1HB CYS 44 -0.597 10.606 2.287 319 H ALA 45 H ALA 45 3.193 10.361 1.942 320 HA ALA 45 HA ALA 45 3.346 10.443 4.879 321 1HB ALA 45 1HB ALA 45 4.867 8.742 4.314 322 2HB ALA 45 2HB ALA 45 5.859 10.180 4.557 323 3HB ALA 45 3HB ALA 45 5.479 9.637 2.923 324 H ALA 46 H ALA 46 5.557 11.628 2.368 325 HA ALA 46 HA ALA 46 4.795 14.238 2.117 326 1HB ALA 46 1HB ALA 46 4.901 14.938 4.277 327 2HB ALA 46 2HB ALA 46 6.587 15.207 3.836 328 3HB ALA 46 3HB ALA 46 6.127 13.751 4.721 329 H THR 47 H THR 47 7.403 11.950 2.379 330 HA THR 47 HA THR 47 8.777 13.332 0.208 331 HB THR 47 HB THR 47 9.788 14.142 2.333 332 HG1 THR 47 1HG THR 47 11.939 13.659 1.701 333 1HG2 THR 47 1HG2 THR 47 11.068 12.760 3.747 334 2HG2 THR 47 2HG2 THR 47 10.855 11.361 2.693 335 3HG2 THR 47 3HG2 THR 47 9.485 11.998 3.602 336 H CYS 48 H CYS 48 9.630 11.968 -1.270 337 HA CYS 48 HA CYS 48 9.179 9.142 -0.922 338 1HB CYS 48 2HB CYS 48 10.097 10.873 -3.195 339 2HB CYS 48 1HB CYS 48 10.366 9.136 -3.271 340 HA PRO 49 HA PRO 49 14.036 9.125 -1.171 341 1HB PRO 49 2HB PRO 49 14.729 11.800 -0.154 342 2HB PRO 49 1HB PRO 49 15.370 10.938 -1.555 343 1HG PRO 49 2HG PRO 49 13.765 13.076 -1.822 344 2HG PRO 49 1HG PRO 49 13.718 11.718 -2.961 345 1HD PRO 49 2HD PRO 49 11.863 12.358 -0.696 346 2HD PRO 49 1HD PRO 49 11.487 11.769 -2.327 347 H SER 50 H SER 50 12.455 8.253 0.689 348 HA SER 50 HA SER 50 13.181 9.287 3.304 349 1HB SER 50 2HB SER 50 10.854 8.817 3.014 350 2HB SER 50 1HB SER 50 11.194 7.224 2.336 351 HG SER 50 HG SER 50 11.465 6.437 4.291 352 H LYS 51 H LYS 51 13.487 6.348 1.361 353 HA LYS 51 HA LYS 51 15.740 5.538 3.036 354 1HB LYS 51 2HB LYS 51 13.384 3.766 2.366 355 2HB LYS 51 1HB LYS 51 14.907 3.174 3.017 356 1HG LYS 51 2HG LYS 51 13.823 5.336 4.608 357 2HG LYS 51 1HG LYS 51 12.690 3.992 4.454 358 1HD LYS 51 2HD LYS 51 15.116 2.750 4.929 359 2HD LYS 51 1HD LYS 51 15.171 4.178 5.964 360 1HE LYS 51 2HE LYS 51 13.179 1.932 5.962 361 2HE LYS 51 1HE LYS 51 14.188 2.508 7.288 362 1HZ LYS 51 1HZ LYS 51 11.640 3.511 6.327 363 2HZ LYS 51 2HZ LYS 51 12.771 4.696 6.753 364 3HZ LYS 51 3HZ LYS 51 12.296 3.534 7.887 365 H LYS 52 H LYS 52 13.965 3.780 0.541 366 HA LYS 52 HA LYS 52 14.467 3.683 -1.758 367 1HB LYS 52 2HB LYS 52 17.344 4.208 -0.988 368 2HB LYS 52 1HB LYS 52 16.748 3.939 -2.615 369 1HG LYS 52 2HG LYS 52 15.929 6.023 -2.812 370 2HG LYS 52 1HG LYS 52 15.432 6.105 -1.120 371 1HD LYS 52 2HD LYS 52 17.160 7.537 -0.937 372 2HD LYS 52 1HD LYS 52 18.127 6.063 -0.856 373 1HE LYS 52 2HE LYS 52 19.143 7.510 -2.458 374 2HE LYS 52 1HE LYS 52 18.379 6.186 -3.338 375 1HZ LYS 52 1HZ LYS 52 18.009 8.438 -4.299 376 2HZ LYS 52 2HZ LYS 52 17.098 8.830 -2.930 377 3HZ LYS 52 3HZ LYS 52 16.586 7.588 -3.957 378 HA PRO 53 HA PRO 53 17.342 -0.179 -0.981 379 1HB PRO 53 2HB PRO 53 17.466 -0.182 1.979 380 2HB PRO 53 1HB PRO 53 18.733 -0.538 0.800 381 1HG PRO 53 2HG PRO 53 18.743 1.740 2.198 382 2HG PRO 53 1HG PRO 53 19.272 1.689 0.506 383 1HD PRO 53 2HD PRO 53 16.690 2.663 1.658 384 2HD PRO 53 1HD PRO 53 17.659 3.327 0.329 385 H TYR 54 H TYR 54 16.904 -2.103 1.040 386 HA TYR 54 HA TYR 54 14.287 -2.983 0.396 387 1HB TYR 54 2HB TYR 54 15.078 -4.288 2.780 388 2HB TYR 54 1HB TYR 54 15.238 -4.884 1.128 389 HD1 TYR 54 1HD TYR 54 16.949 -3.090 3.843 390 HD2 TYR 54 2HD TYR 54 17.340 -4.885 0.013 391 HE1 TYR 54 1HE TYR 54 19.379 -2.854 3.994 392 HE2 TYR 54 2HE TYR 54 19.774 -4.671 0.149 393 HH TYR 54 HH TYR 54 21.492 -4.485 2.372 394 H GLU 55 H GLU 55 12.887 -1.234 0.932 395 HA GLU 55 HA GLU 55 12.523 -0.785 3.813 396 1HB GLU 55 2HB GLU 55 12.977 1.188 2.298 397 2HB GLU 55 1HB GLU 55 11.399 0.910 1.584 398 1HG GLU 55 2HG GLU 55 10.638 1.021 4.111 399 2HG GLU 55 1HG GLU 55 12.121 1.963 4.259 400 H GLU 56 H GLU 56 10.052 -0.129 1.383 401 HA GLU 56 HA GLU 56 8.535 -2.431 1.529 402 1HB GLU 56 2HB GLU 56 8.593 -1.299 4.028 403 2HB GLU 56 1HB GLU 56 7.130 -0.601 3.352 404 1HG GLU 56 2HG GLU 56 6.071 -2.453 3.935 405 2HG GLU 56 1HG GLU 56 6.996 -3.302 2.698 406 H VAL 57 H VAL 57 8.163 1.086 1.863 407 HA VAL 57 HA VAL 57 5.994 1.080 -0.083 408 HB VAL 57 HB VAL 57 5.710 3.437 0.467 409 1HG1 VAL 57 1HG1 VAL 57 5.689 1.321 2.507 410 2HG1 VAL 57 2HG1 VAL 57 4.402 2.404 1.978 411 3HG1 VAL 57 3HG1 VAL 57 5.610 2.969 3.132 412 1HG2 VAL 57 1HG2 VAL 57 7.986 4.125 0.806 413 2HG2 VAL 57 2HG2 VAL 57 8.153 3.048 2.192 414 3HG2 VAL 57 3HG2 VAL 57 7.081 4.445 2.285 415 H THR 58 H THR 58 6.082 3.171 -1.537 416 HA THR 58 HA THR 58 8.620 3.947 -2.559 417 HB THR 58 HB THR 58 7.786 2.870 -4.912 418 HG1 THR 58 1HG THR 58 6.165 1.626 -4.063 419 1HG2 THR 58 1HG2 THR 58 9.865 2.142 -4.789 420 2HG2 THR 58 2HG2 THR 58 9.303 0.818 -3.768 421 3HG2 THR 58 3HG2 THR 58 9.869 2.319 -3.034 422 H CYS 59 H CYS 59 6.173 5.149 -1.651 423 HA CYS 59 HA CYS 59 4.895 6.963 -2.148 424 1HB CYS 59 2HB CYS 59 6.029 7.120 -4.922 425 2HB CYS 59 1HB CYS 59 5.555 8.426 -3.835 426 H CYS 60 H CYS 60 3.144 7.705 -3.718 427 HA CYS 60 HA CYS 60 2.162 5.772 -5.596 428 1HB CYS 60 2HB CYS 60 1.512 5.277 -2.951 429 2HB CYS 60 1HB CYS 60 0.096 6.131 -3.555 430 H SER 61 H SER 61 2.791 8.566 -5.673 431 HA SER 61 HA SER 61 0.365 10.083 -5.571 432 1HB SER 61 2HB SER 61 3.066 10.694 -5.696 433 2HB SER 61 1HB SER 61 2.451 11.212 -7.269 434 HG SER 61 HG SER 61 0.734 12.272 -5.970 435 H THR 62 H THR 62 0.503 11.572 -7.944 436 HA THR 62 HA THR 62 -0.068 11.609 -10.148 437 HB THR 62 HB THR 62 0.470 9.893 -11.599 438 HG1 THR 62 1HG THR 62 0.334 7.738 -11.112 439 1HG2 THR 62 1HG2 THR 62 2.232 8.569 -9.741 440 2HG2 THR 62 2HG2 THR 62 2.308 10.325 -9.580 441 3HG2 THR 62 3HG2 THR 62 2.608 9.569 -11.145 442 H ASP 63 H ASP 63 -1.886 11.158 -7.893 443 HA ASP 63 HA ASP 63 -4.108 10.864 -7.521 444 1HB ASP 63 2HB ASP 63 -4.215 12.219 -9.636 445 2HB ASP 63 1HB ASP 63 -4.372 10.708 -10.527 446 H LYS 64 H LYS 64 -5.707 9.296 -7.325 447 HA LYS 64 HA LYS 64 -6.132 7.084 -6.775 448 1HB LYS 64 2HB LYS 64 -7.132 5.968 -8.698 449 2HB LYS 64 1HB LYS 64 -7.562 7.675 -8.663 450 1HG LYS 64 2HG LYS 64 -6.917 7.780 -10.780 451 2HG LYS 64 1HG LYS 64 -5.260 7.574 -10.214 452 1HD LYS 64 2HD LYS 64 -5.349 5.820 -11.660 453 2HD LYS 64 1HD LYS 64 -5.994 5.015 -10.229 454 1HE LYS 64 2HE LYS 64 -7.742 4.469 -11.503 455 2HE LYS 64 1HE LYS 64 -8.226 6.159 -11.365 456 1HZ LYS 64 1HZ LYS 64 -6.288 5.549 -13.445 457 2HZ LYS 64 2HZ LYS 64 -7.613 6.600 -13.472 458 3HZ LYS 64 3HZ LYS 64 -7.849 4.939 -13.687 459 H CYS 65 H CYS 65 -4.195 6.261 -5.933 460 HA CYS 65 HA CYS 65 -2.719 4.519 -7.798 461 1HB CYS 65 2HB CYS 65 -1.359 6.443 -7.022 462 2HB CYS 65 1HB CYS 65 -1.593 5.910 -5.362 463 H ASN 66 H ASN 66 -4.681 4.671 -5.071 464 HA ASN 66 HA ASN 66 -3.662 2.599 -3.476 465 1HB ASN 66 2HB ASN 66 -6.426 3.747 -3.815 466 2HB ASN 66 1HB ASN 66 -6.097 2.435 -2.690 467 1HD2 ASN 66 1HD2 ASN 66 -5.234 5.749 -3.517 468 2HD2 ASN 66 2HD2 ASN 66 -4.766 6.216 -1.922 469 HA PRO 67 HA PRO 67 -7.070 -0.194 -5.862 470 1HB PRO 67 2HB PRO 67 -6.779 0.658 -8.571 471 2HB PRO 67 1HB PRO 67 -8.228 0.719 -7.567 472 1HG PRO 67 2HG PRO 67 -6.254 2.845 -8.168 473 2HG PRO 67 1HG PRO 67 -7.976 2.984 -7.769 474 1HD PRO 67 2HD PRO 67 -6.085 3.665 -6.008 475 2HD PRO 67 1HD PRO 67 -7.580 2.866 -5.483 476 H HIS 68 H HIS 68 -6.559 -1.952 -7.353 477 HA HIS 68 HA HIS 68 -5.149 -3.561 -8.124 478 1HB HIS 68 2HB HIS 68 -3.298 -1.329 -8.957 479 2HB HIS 68 1HB HIS 68 -3.493 -2.912 -9.703 480 HD1 HIS 68 1HD HIS 68 -6.797 -2.332 -9.397 481 HD2 HIS 68 2HD HIS 68 -3.902 -0.321 -11.596 482 HE1 HIS 68 1HE HIS 68 -8.048 -1.144 -11.226 483 HE2 HIS 68 2HE HIS 68 -6.286 0.138 -12.490 484 HA PRO 69 HA PRO 69 -2.119 -2.879 -4.618 485 1HB PRO 69 2HB PRO 69 -3.411 -3.848 -2.498 486 2HB PRO 69 1HB PRO 69 -3.705 -2.202 -3.071 487 1HG PRO 69 2HG PRO 69 -5.362 -4.659 -3.420 488 2HG PRO 69 1HG PRO 69 -5.877 -2.986 -3.149 489 1HD PRO 69 2HD PRO 69 -5.782 -4.286 -5.625 490 2HD PRO 69 1HD PRO 69 -5.895 -2.534 -5.374 491 H LYS 70 H LYS 70 -4.360 -5.663 -4.736 492 HA LYS 70 HA LYS 70 -2.430 -7.547 -5.484 493 1HB LYS 70 2HB LYS 70 -2.628 -8.712 -3.055 494 2HB LYS 70 1HB LYS 70 -1.292 -7.677 -3.524 495 1HG LYS 70 2HG LYS 70 -2.250 -7.207 -1.271 496 2HG LYS 70 1HG LYS 70 -2.216 -5.822 -2.355 497 1HD LYS 70 2HD LYS 70 -4.344 -5.650 -1.495 498 2HD LYS 70 1HD LYS 70 -4.656 -6.614 -2.935 499 1HE LYS 70 2HE LYS 70 -4.350 -8.651 -1.432 500 2HE LYS 70 1HE LYS 70 -4.477 -7.526 -0.083 501 1HZ LYS 70 1HZ LYS 70 -6.561 -8.744 -1.261 502 2HZ LYS 70 2HZ LYS 70 -6.563 -7.252 -2.058 503 3HZ LYS 70 3HZ LYS 70 -6.670 -7.309 -0.370 504 H GLN 71 H GLN 71 -3.381 -9.836 -4.164 505 HA GLN 71 HA GLN 71 -5.006 -11.399 -4.328 506 1HB GLN 71 2HB GLN 71 -6.009 -10.139 -2.559 507 2HB GLN 71 1HB GLN 71 -6.672 -8.972 -3.693 508 1HG GLN 71 2HG GLN 71 -8.546 -10.150 -3.723 509 2HG GLN 71 1HG GLN 71 -7.663 -11.457 -4.510 510 1HE2 GLN 71 1HE2 GLN 71 -8.035 -10.103 -1.246 511 2HE2 GLN 71 2HE2 GLN 71 -8.220 -11.627 -0.452 512 H ARG 72 H ARG 72 -7.029 -8.788 -5.626 513 HA ARG 72 HA ARG 72 -8.038 -10.304 -7.729 514 1HB ARG 72 2HB ARG 72 -8.973 -8.274 -8.593 515 2HB ARG 72 1HB ARG 72 -9.035 -8.193 -6.838 516 1HG ARG 72 2HG ARG 72 -6.806 -6.900 -7.054 517 2HG ARG 72 1HG ARG 72 -7.291 -6.680 -8.737 518 1HD ARG 72 2HD ARG 72 -7.999 -4.793 -7.351 519 2HD ARG 72 1HD ARG 72 -9.383 -5.664 -8.013 520 HE ARG 72 HE ARG 72 -8.532 -6.419 -5.340 521 1HH1 ARG 72 1HH1 ARG 72 -10.729 -4.534 -7.297 522 2HH1 ARG 72 2HH1 ARG 72 -11.911 -4.388 -6.042 523 1HH2 ARG 72 1HH2 ARG 72 -10.081 -6.226 -3.699 524 2HH2 ARG 72 2HH2 ARG 72 -11.546 -5.353 -3.999 525 HA PRO 73 HA PRO 73 -4.878 -10.505 -10.801 526 1HB PRO 73 2HB PRO 73 -7.019 -10.017 -12.795 527 2HB PRO 73 1HB PRO 73 -5.898 -11.373 -12.658 528 1HG PRO 73 2HG PRO 73 -8.469 -11.648 -12.005 529 2HG PRO 73 1HG PRO 73 -7.194 -12.458 -11.076 530 1HD PRO 73 2HD PRO 73 -8.757 -9.997 -10.407 531 2HD PRO 73 1HD PRO 73 -8.232 -11.324 -9.349 532 H GLY 74 H GLY 74 -4.020 -8.405 -10.109 533 1HA GLY 74 2HA GLY 74 -3.262 -6.286 -10.565 534 2HA GLY 74 1HA GLY 74 -3.700 -6.615 -12.238 535 1H TYR 181 1HT TYR 181 0.245 -20.154 23.881 536 2H TYR 181 2HT TYR 181 -0.210 -18.521 23.613 537 3H TYR 181 3HT TYR 181 0.093 -19.559 22.281 538 HA TYR 181 HA TYR 181 -1.793 -20.796 22.652 539 1HB TYR 181 2HB TYR 181 -1.551 -21.015 25.064 540 2HB TYR 181 1HB TYR 181 -1.946 -19.315 25.289 541 HD1 TYR 181 1HD TYR 181 -4.151 -18.681 25.685 542 HD2 TYR 181 2HD TYR 181 -3.372 -22.496 23.971 543 HE1 TYR 181 1HE TYR 181 -6.531 -19.258 25.905 544 HE2 TYR 181 2HE TYR 181 -5.750 -23.084 24.184 545 HH TYR 181 HH TYR 181 -7.914 -21.339 26.072 546 H ARG 182 H ARG 182 -2.345 -17.672 24.268 547 HA ARG 182 HA ARG 182 -4.473 -17.012 22.479 548 1HB ARG 182 2HB ARG 182 -3.943 -16.284 24.998 549 2HB ARG 182 1HB ARG 182 -3.226 -14.908 24.171 550 1HG ARG 182 2HG ARG 182 -5.537 -14.477 24.827 551 2HG ARG 182 1HG ARG 182 -5.335 -14.433 23.074 552 1HD ARG 182 2HD ARG 182 -6.062 -17.048 24.229 553 2HD ARG 182 1HD ARG 182 -7.296 -15.793 24.329 554 HE ARG 182 HE ARG 182 -6.157 -16.001 21.716 555 1HH1 ARG 182 1HH1 ARG 182 -8.517 -17.392 23.877 556 2HH1 ARG 182 2HH1 ARG 182 -9.508 -18.011 22.599 557 1HH2 ARG 182 1HH2 ARG 182 -7.458 -16.813 20.033 558 2HH2 ARG 182 2HH2 ARG 182 -8.905 -17.684 20.416 559 H GLY 183 H GLY 183 -3.035 -17.290 20.534 560 1HA GLY 183 2HA GLY 183 -1.914 -14.660 19.827 561 2HA GLY 183 1HA GLY 183 -0.994 -16.121 19.499 562 H TRP 184 H TRP 184 -1.328 -14.742 17.347 563 HA TRP 184 HA TRP 184 -2.140 -14.733 15.223 564 1HB TRP 184 2HB TRP 184 -3.616 -17.283 15.833 565 2HB TRP 184 1HB TRP 184 -2.885 -16.771 14.316 566 HD1 TRP 184 HD TRP 184 -2.328 -19.481 16.288 567 HE1 TRP 184 1HE TRP 184 0.146 -20.083 16.664 568 HE3 TRP 184 3HE TRP 184 -0.199 -15.008 15.018 569 HZ2 TRP 184 2HZ TRP 184 2.665 -18.829 16.451 570 HZ3 TRP 184 3HZ TRP 184 2.248 -14.794 15.132 571 HH2 TRP 184 HH TRP 184 3.651 -16.665 15.834 572 H LYS 185 H LYS 185 -3.501 -13.030 15.139 573 HA LYS 185 HA LYS 185 -6.356 -13.614 15.403 574 1HB LYS 185 2HB LYS 185 -6.632 -11.315 16.471 575 2HB LYS 185 1HB LYS 185 -5.975 -12.590 17.490 576 1HG LYS 185 2HG LYS 185 -3.729 -11.443 16.374 577 2HG LYS 185 1HG LYS 185 -4.798 -10.070 16.667 578 1HD LYS 185 2HD LYS 185 -4.086 -12.160 18.723 579 2HD LYS 185 1HD LYS 185 -3.303 -10.584 18.580 580 1HE LYS 185 2HE LYS 185 -5.905 -9.850 18.657 581 2HE LYS 185 1HE LYS 185 -5.948 -11.301 19.659 582 1HZ LYS 185 1HZ LYS 185 -3.970 -10.257 20.851 583 2HZ LYS 185 2HZ LYS 185 -5.497 -9.587 21.139 584 3HZ LYS 185 3HZ LYS 185 -4.418 -8.812 20.091 585 H HIS 186 H HIS 186 -3.914 -11.236 14.404 586 HA HIS 186 HA HIS 186 -5.669 -10.515 12.148 587 1HB HIS 186 2HB HIS 186 -3.987 -8.873 13.955 588 2HB HIS 186 1HB HIS 186 -3.963 -8.425 12.250 589 HD1 HIS 186 1HD HIS 186 -7.002 -9.089 11.702 590 HD2 HIS 186 2HD HIS 186 -5.541 -6.776 14.830 591 HE1 HIS 186 1HE HIS 186 -8.910 -7.602 12.387 592 HE2 HIS 186 2HE HIS 186 -8.021 -6.251 14.319 593 H TRP 187 H TRP 187 -4.960 -11.687 10.469 594 HA TRP 187 HA TRP 187 -2.315 -12.551 10.073 595 1HB TRP 187 2HB TRP 187 -3.052 -13.252 7.875 596 2HB TRP 187 1HB TRP 187 -4.333 -13.582 9.036 597 HD1 TRP 187 HD TRP 187 -4.801 -10.095 8.661 598 HE1 TRP 187 1HE TRP 187 -6.476 -9.500 6.800 599 HE3 TRP 187 3HE TRP 187 -4.866 -14.561 6.169 600 HZ2 TRP 187 2HZ TRP 187 -7.667 -10.757 4.571 601 HZ3 TRP 187 3HZ TRP 187 -6.301 -14.781 4.183 602 HH2 TRP 187 HH TRP 187 -7.673 -12.918 3.402 603 H VAL 188 H VAL 188 -2.126 -11.741 7.195 604 HA VAL 188 HA VAL 188 -0.603 -9.347 7.632 605 HB VAL 188 HB VAL 188 -1.055 -10.201 4.846 606 1HG1 VAL 188 1HG1 VAL 188 0.649 -8.680 5.054 607 2HG1 VAL 188 2HG1 VAL 188 1.547 -10.197 5.081 608 3HG1 VAL 188 3HG1 VAL 188 1.205 -9.347 6.588 609 1HG2 VAL 188 1HG2 VAL 188 -1.097 -12.405 5.616 610 2HG2 VAL 188 2HG2 VAL 188 0.061 -12.077 6.906 611 3HG2 VAL 188 3HG2 VAL 188 0.603 -12.136 5.229 612 H TYR 189 H TYR 189 -0.800 -7.579 5.872 613 HA TYR 189 HA TYR 189 -3.511 -6.569 6.025 614 1HB TYR 189 2HB TYR 189 -0.907 -5.364 5.090 615 2HB TYR 189 1HB TYR 189 -2.449 -4.519 4.957 616 HD1 TYR 189 1HD TYR 189 -3.497 -3.549 6.881 617 HD2 TYR 189 2HD TYR 189 0.048 -5.862 7.311 618 HE1 TYR 189 1HE TYR 189 -3.251 -2.733 9.187 619 HE2 TYR 189 2HE TYR 189 0.303 -5.054 9.619 620 HH TYR 189 HH TYR 189 -0.778 -2.597 10.838 621 H TYR 190 H TYR 190 -4.907 -6.289 4.366 622 HA TYR 190 HA TYR 190 -3.992 -6.814 1.635 623 1HB TYR 190 2HB TYR 190 -6.321 -8.207 2.973 624 2HB TYR 190 1HB TYR 190 -6.004 -8.248 1.239 625 HD1 TYR 190 1HD TYR 190 -4.738 -9.983 0.373 626 HD2 TYR 190 2HD TYR 190 -4.350 -9.016 4.497 627 HE1 TYR 190 1HE TYR 190 -3.278 -11.937 0.687 628 HE2 TYR 190 2HE TYR 190 -2.886 -10.965 4.822 629 HH TYR 190 HH TYR 190 -2.503 -13.397 2.427 630 H THR 191 H THR 191 -4.674 -5.227 0.336 631 HA THR 191 HA THR 191 -6.817 -3.481 1.262 632 HB THR 191 HB THR 191 -4.985 -3.232 -1.133 633 HG1 THR 191 1HG THR 191 -4.276 -2.986 1.248 634 1HG2 THR 191 1HG2 THR 191 -7.159 -1.486 -0.106 635 2HG2 THR 191 2HG2 THR 191 -6.668 -1.825 -1.765 636 3HG2 THR 191 3HG2 THR 191 -5.702 -0.742 -0.764 637 H CYS 192 H CYS 192 -7.902 -5.851 0.712 638 HA CYS 192 HA CYS 192 -8.946 -5.878 -2.005 639 1HB CYS 192 2HB CYS 192 -8.752 -8.077 -1.451 640 2HB CYS 192 1HB CYS 192 -8.881 -7.766 0.269 641 H CYS 193 H CYS 193 -11.264 -6.409 -2.162 642 HA CYS 193 HA CYS 193 -13.388 -5.515 -2.131 643 1HB CYS 193 2HB CYS 193 -13.929 -5.743 0.594 644 2HB CYS 193 1HB CYS 193 -14.073 -7.020 -0.608 645 HA PRO 194 HA PRO 194 -12.124 -1.269 -0.617 646 1HB PRO 194 2HB PRO 194 -12.967 0.028 -2.874 647 2HB PRO 194 1HB PRO 194 -11.334 -0.610 -2.657 648 1HG PRO 194 2HG PRO 194 -13.653 -1.802 -4.123 649 2HG PRO 194 1HG PRO 194 -11.943 -1.745 -4.586 650 1HD PRO 194 2HD PRO 194 -13.079 -3.959 -3.545 651 2HD PRO 194 1HD PRO 194 -11.385 -3.526 -3.230 652 H ASP 195 H ASP 195 -14.749 -0.785 -2.904 653 HA ASP 195 HA ASP 195 -16.493 -0.118 -0.637 654 1HB ASP 195 2HB ASP 195 -15.952 1.707 -2.244 655 2HB ASP 195 1HB ASP 195 -16.735 0.771 -3.518 656 H THR 196 H THR 196 -16.002 -2.770 -2.235 657 HA THR 196 HA THR 196 -18.627 -3.297 -3.308 658 HB THR 196 HB THR 196 -17.762 -5.608 -3.647 659 HG1 THR 196 1HG THR 196 -16.318 -5.473 -1.769 660 1HG2 THR 196 1HG2 THR 196 -16.438 -3.226 -4.731 661 2HG2 THR 196 2HG2 THR 196 -17.176 -4.600 -5.557 662 3HG2 THR 196 3HG2 THR 196 -15.544 -4.736 -4.902 663 HA PRO 197 HA PRO 197 -18.866 -5.733 0.914 664 1HB PRO 197 2HB PRO 197 -18.100 -3.523 2.699 665 2HB PRO 197 1HB PRO 197 -17.618 -5.221 2.759 666 1HG PRO 197 2HG PRO 197 -15.901 -3.267 2.056 667 2HG PRO 197 1HG PRO 197 -15.816 -4.897 1.366 668 1HD PRO 197 2HD PRO 197 -16.921 -2.387 0.170 669 2HD PRO 197 1HD PRO 197 -15.985 -3.691 -0.592 670 H TYR 198 H TYR 198 -20.093 -3.631 -0.785 671 HA TYR 198 HA TYR 198 -21.809 -2.015 0.805 672 1HB TYR 198 2HB TYR 198 -20.835 -1.463 -1.468 673 2HB TYR 198 1HB TYR 198 -21.935 -2.658 -2.153 674 HD1 TYR 198 1HD TYR 198 -23.568 -1.532 -3.353 675 HD2 TYR 198 2HD TYR 198 -22.432 -0.022 0.460 676 HE1 TYR 198 1HE TYR 198 -25.325 0.181 -3.514 677 HE2 TYR 198 2HE TYR 198 -24.187 1.694 0.309 678 HH TYR 198 HH TYR 198 -25.445 2.873 -1.658 Start of MODEL 18 1 1H ILE 1 1HT ILE 1 -0.881 16.938 -6.308 2 2H ILE 1 2HT ILE 1 -2.461 17.608 -6.357 3 3H ILE 1 3HT ILE 1 -1.545 17.458 -7.801 4 HA ILE 1 HA ILE 1 -3.137 15.774 -7.792 5 HB ILE 1 HB ILE 1 -0.812 14.186 -6.849 6 1HG1 ILE 1 2HG1 ILE 1 0.234 16.225 -7.829 7 2HG1 ILE 1 1HG1 ILE 1 0.576 14.762 -8.748 8 1HG2 ILE 1 1HG2 ILE 1 -1.219 13.196 -9.179 9 2HG2 ILE 1 2HG2 ILE 1 -2.687 14.173 -9.185 10 3HG2 ILE 1 3HG2 ILE 1 -2.451 12.944 -7.943 11 1HD1 ILE 1 1HD1 ILE 1 -0.343 15.605 -10.580 12 2HD1 ILE 1 2HD1 ILE 1 -0.378 17.154 -9.739 13 3HD1 ILE 1 3HD1 ILE 1 -1.795 16.104 -9.713 14 H VAL 2 H VAL 2 -4.724 15.130 -6.503 15 HA VAL 2 HA VAL 2 -4.152 14.556 -3.694 16 HB VAL 2 HB VAL 2 -6.502 15.510 -5.181 17 1HG1 VAL 2 1HG1 VAL 2 -6.865 13.579 -2.895 18 2HG1 VAL 2 2HG1 VAL 2 -7.420 13.365 -4.554 19 3HG1 VAL 2 3HG1 VAL 2 -8.127 14.626 -3.545 20 1HG2 VAL 2 1HG2 VAL 2 -5.852 15.763 -2.256 21 2HG2 VAL 2 2HG2 VAL 2 -6.825 16.840 -3.259 22 3HG2 VAL 2 3HG2 VAL 2 -5.080 16.752 -3.495 23 H CYS 3 H CYS 3 -4.725 12.611 -2.694 24 HA CYS 3 HA CYS 3 -5.342 10.386 -4.503 25 1HB CYS 3 2HB CYS 3 -3.784 9.029 -3.199 26 2HB CYS 3 1HB CYS 3 -2.979 10.434 -3.897 27 H HIS 4 H HIS 4 -7.239 9.489 -3.981 28 HA HIS 4 HA HIS 4 -8.801 9.932 -1.788 29 1HB HIS 4 2HB HIS 4 -10.012 7.908 -2.349 30 2HB HIS 4 1HB HIS 4 -9.535 8.742 -3.827 31 HD1 HIS 4 1HD HIS 4 -10.204 5.837 -4.092 32 HD2 HIS 4 2HD HIS 4 -6.376 7.169 -3.179 33 HE1 HIS 4 1HE HIS 4 -8.664 3.972 -4.779 34 HE2 HIS 4 2HE HIS 4 -6.361 4.764 -4.133 35 H THR 5 H THR 5 -9.453 8.350 -0.055 36 HA THR 5 HA THR 5 -7.053 7.547 1.377 37 HB THR 5 HB THR 5 -8.728 7.086 3.240 38 HG1 THR 5 1HG THR 5 -10.498 8.537 1.577 39 1HG2 THR 5 1HG2 THR 5 -9.388 9.639 3.355 40 2HG2 THR 5 2HG2 THR 5 -8.174 9.754 2.079 41 3HG2 THR 5 3HG2 THR 5 -7.739 9.084 3.652 42 H THR 6 H THR 6 -6.337 5.524 1.513 43 HA THR 6 HA THR 6 -8.192 3.342 0.816 44 HB THR 6 HB THR 6 -5.283 2.930 0.413 45 HG1 THR 6 1HG THR 6 -5.405 3.972 -1.626 46 1HG2 THR 6 1HG2 THR 6 -7.105 1.257 -0.135 47 2HG2 THR 6 2HG2 THR 6 -5.924 1.597 -1.401 48 3HG2 THR 6 3HG2 THR 6 -7.529 2.322 -1.476 49 H ALA 7 H ALA 7 -7.538 4.471 3.459 50 HA ALA 7 HA ALA 7 -5.722 3.062 4.960 51 1HB ALA 7 1HB ALA 7 -8.312 4.363 5.534 52 2HB ALA 7 2HB ALA 7 -6.726 4.615 6.264 53 3HB ALA 7 3HB ALA 7 -7.711 3.235 6.750 54 H THR 8 H THR 8 -8.759 1.967 3.658 55 HA THR 8 HA THR 8 -8.085 -0.772 4.063 56 HB THR 8 HB THR 8 -10.413 0.338 5.648 57 HG1 THR 8 1HG THR 8 -9.211 -0.161 7.425 58 1HG2 THR 8 1HG2 THR 8 -9.681 -2.336 6.337 59 2HG2 THR 8 2HG2 THR 8 -10.080 -2.245 4.622 60 3HG2 THR 8 3HG2 THR 8 -11.244 -1.697 5.829 61 H SER 9 H SER 9 -11.156 1.022 3.920 62 HA SER 9 HA SER 9 -11.820 -0.438 1.460 63 1HB SER 9 2HB SER 9 -13.979 1.167 2.550 64 2HB SER 9 1HB SER 9 -13.922 -0.568 2.250 65 HG SER 9 HG SER 9 -13.990 0.547 4.563 66 HA PRO 10 HA PRO 10 -11.757 3.006 -1.296 67 1HB PRO 10 2HB PRO 10 -14.463 3.424 -1.893 68 2HB PRO 10 1HB PRO 10 -13.365 2.343 -2.753 69 1HG PRO 10 2HG PRO 10 -15.358 1.720 -0.624 70 2HG PRO 10 1HG PRO 10 -14.896 0.772 -2.045 71 1HD PRO 10 2HD PRO 10 -14.027 0.110 0.387 72 2HD PRO 10 1HD PRO 10 -12.966 -0.041 -1.030 73 H ILE 11 H ILE 11 -14.562 3.263 0.879 74 HA ILE 11 HA ILE 11 -15.316 4.938 2.210 75 HB ILE 11 HB ILE 11 -12.501 6.002 1.926 76 1HG1 ILE 11 2HG1 ILE 11 -12.725 3.715 2.904 77 2HG1 ILE 11 1HG1 ILE 11 -12.053 4.897 4.021 78 1HG2 ILE 11 1HG2 ILE 11 -14.771 7.262 3.012 79 2HG2 ILE 11 2HG2 ILE 11 -13.087 7.768 3.141 80 3HG2 ILE 11 3HG2 ILE 11 -13.792 6.728 4.378 81 1HD1 ILE 11 1HD1 ILE 11 -14.927 4.010 3.982 82 2HD1 ILE 11 2HD1 ILE 11 -14.167 5.082 5.159 83 3HD1 ILE 11 3HD1 ILE 11 -13.686 3.388 5.070 84 H SER 12 H SER 12 -13.243 7.420 0.948 85 HA SER 12 HA SER 12 -14.337 8.278 -1.364 86 1HB SER 12 2HB SER 12 -16.575 8.334 -0.683 87 2HB SER 12 1HB SER 12 -16.171 8.909 0.933 88 HG SER 12 HG SER 12 -16.196 10.897 0.230 89 H ALA 13 H ALA 13 -13.485 9.267 1.892 90 HA ALA 13 HA ALA 13 -12.827 11.932 1.431 91 1HB ALA 13 1HB ALA 13 -12.888 11.357 3.665 92 2HB ALA 13 2HB ALA 13 -11.155 11.498 3.369 93 3HB ALA 13 3HB ALA 13 -11.913 9.905 3.427 94 H VAL 14 H VAL 14 -11.508 12.670 -0.091 95 HA VAL 14 HA VAL 14 -9.129 11.164 -0.827 96 HB VAL 14 HB VAL 14 -9.631 13.647 -2.297 97 1HG1 VAL 14 1HG1 VAL 14 -9.076 12.347 -4.163 98 2HG1 VAL 14 2HG1 VAL 14 -9.536 10.845 -3.362 99 3HG1 VAL 14 3HG1 VAL 14 -8.082 11.707 -2.857 100 1HG2 VAL 14 1HG2 VAL 14 -11.566 12.651 -3.566 101 2HG2 VAL 14 2HG2 VAL 14 -11.940 13.218 -1.937 102 3HG2 VAL 14 3HG2 VAL 14 -11.735 11.494 -2.246 103 H THR 15 H THR 15 -7.181 12.552 -1.377 104 HA THR 15 HA THR 15 -5.554 14.043 -0.817 105 HB THR 15 HB THR 15 -6.067 16.156 -0.049 106 HG1 THR 15 1HG THR 15 -6.761 15.681 2.000 107 1HG2 THR 15 1HG2 THR 15 -8.059 15.059 -1.683 108 2HG2 THR 15 2HG2 THR 15 -7.638 16.757 -1.475 109 3HG2 THR 15 3HG2 THR 15 -8.888 16.026 -0.467 110 H CYS 16 H CYS 16 -4.156 14.566 0.993 111 HA CYS 16 HA CYS 16 -4.626 13.916 3.645 112 1HB CYS 16 2HB CYS 16 -4.906 11.664 3.430 113 2HB CYS 16 1HB CYS 16 -3.987 11.582 1.930 114 HA PRO 17 HA PRO 17 0.013 14.446 2.953 115 1HB PRO 17 2HB PRO 17 1.194 13.738 0.680 116 2HB PRO 17 1HB PRO 17 0.575 12.519 1.798 117 1HG PRO 17 2HG PRO 17 -0.515 13.411 -0.811 118 2HG PRO 17 1HG PRO 17 -0.652 11.836 -0.015 119 1HD PRO 17 2HD PRO 17 -2.560 13.977 -0.026 120 2HD PRO 17 1HD PRO 17 -2.679 12.416 0.809 121 HA PRO 18 HA PRO 18 -0.829 18.336 0.453 122 1HB PRO 18 2HB PRO 18 -0.471 20.071 2.510 123 2HB PRO 18 1HB PRO 18 -2.036 19.339 2.138 124 1HG PRO 18 2HG PRO 18 -0.022 18.556 4.211 125 2HG PRO 18 1HG PRO 18 -1.787 18.665 4.352 126 1HD PRO 18 2HD PRO 18 -0.511 16.306 4.001 127 2HD PRO 18 1HD PRO 18 -2.122 16.625 3.328 128 H GLY 19 H GLY 19 0.718 20.075 0.027 129 1HA GLY 19 2HA GLY 19 2.861 20.766 -0.453 130 2HA GLY 19 1HA GLY 19 3.191 20.403 1.237 131 H GLU 20 H GLU 20 4.063 18.367 1.795 132 HA GLU 20 HA GLU 20 4.924 16.647 -0.412 133 1HB GLU 20 2HB GLU 20 6.853 17.527 1.731 134 2HB GLU 20 1HB GLU 20 7.208 16.622 0.266 135 1HG GLU 20 2HG GLU 20 7.016 18.496 -1.089 136 2HG GLU 20 1HG GLU 20 6.093 19.391 0.115 137 H ASN 21 H ASN 21 4.103 14.722 0.083 138 HA ASN 21 HA ASN 21 4.906 13.233 2.310 139 1HB ASN 21 2HB ASN 21 2.761 15.010 2.885 140 2HB ASN 21 1HB ASN 21 2.102 13.374 2.870 141 1HD2 ASN 21 1HD2 ASN 21 2.395 12.137 4.596 142 2HD2 ASN 21 2HD2 ASN 21 3.438 12.503 5.923 143 H LEU 22 H LEU 22 4.559 12.984 -0.523 144 HA LEU 22 HA LEU 22 2.808 11.815 -1.922 145 1HB LEU 22 2HB LEU 22 5.096 9.994 -1.245 146 2HB LEU 22 1HB LEU 22 4.273 10.177 -2.780 147 HG LEU 22 HG LEU 22 6.324 11.224 -3.126 148 1HD1 LEU 22 1HD1 LEU 22 4.194 13.212 -2.462 149 2HD1 LEU 22 2HD1 LEU 22 4.839 12.733 -4.032 150 3HD1 LEU 22 3HD1 LEU 22 5.794 13.757 -2.962 151 1HD2 LEU 22 1HD2 LEU 22 7.651 11.910 -1.483 152 2HD2 LEU 22 2HD2 LEU 22 6.371 11.494 -0.344 153 3HD2 LEU 22 3HD2 LEU 22 6.486 13.134 -0.981 154 H CYS 23 H CYS 23 1.098 10.541 -1.811 155 HA CYS 23 HA CYS 23 0.064 9.350 0.394 156 1HB CYS 23 2HB CYS 23 -0.610 9.456 -2.307 157 2HB CYS 23 1HB CYS 23 -0.557 7.734 -1.934 158 H TYR 24 H TYR 24 2.544 8.010 -1.662 159 HA TYR 24 HA TYR 24 3.851 6.157 -1.475 160 1HB TYR 24 2HB TYR 24 3.230 7.002 1.198 161 2HB TYR 24 1HB TYR 24 3.330 5.246 1.153 162 HD1 TYR 24 1HD TYR 24 5.281 7.496 -1.031 163 HD2 TYR 24 2HD TYR 24 5.315 5.019 2.425 164 HE1 TYR 24 1HE TYR 24 7.736 7.631 -0.963 165 HE2 TYR 24 2HE TYR 24 7.771 5.148 2.505 166 HH TYR 24 HH TYR 24 9.654 5.830 0.212 167 H ARG 25 H ARG 25 3.504 4.199 -2.293 168 HA ARG 25 HA ARG 25 1.014 2.803 -1.560 169 1HB ARG 25 2HB ARG 25 1.074 3.623 -3.905 170 2HB ARG 25 1HB ARG 25 2.507 2.643 -4.185 171 1HG ARG 25 2HG ARG 25 0.629 0.881 -3.125 172 2HG ARG 25 1HG ARG 25 -0.275 1.899 -4.248 173 1HD ARG 25 2HD ARG 25 1.443 1.423 -5.976 174 2HD ARG 25 1HD ARG 25 2.217 0.310 -4.848 175 HE ARG 25 HE ARG 25 -0.391 -0.521 -5.006 176 1HH1 ARG 25 1HH1 ARG 25 2.216 -0.049 -7.276 177 2HH1 ARG 25 2HH1 ARG 25 1.677 -1.297 -8.347 178 1HH2 ARG 25 1HH2 ARG 25 -1.104 -2.160 -6.410 179 2HH2 ARG 25 2HH2 ARG 25 -0.211 -2.499 -7.855 180 H LYS 26 H LYS 26 2.261 1.855 0.202 181 HA LYS 26 HA LYS 26 4.536 0.245 -0.226 182 1HB LYS 26 2HB LYS 26 2.495 -0.091 1.973 183 2HB LYS 26 1HB LYS 26 4.180 -0.592 2.000 184 1HG LYS 26 2HG LYS 26 4.539 2.013 1.566 185 2HG LYS 26 1HG LYS 26 2.986 2.083 2.401 186 1HD LYS 26 2HD LYS 26 4.806 0.271 3.730 187 2HD LYS 26 1HD LYS 26 5.517 1.877 3.561 188 1HE LYS 26 2HE LYS 26 2.729 1.958 4.395 189 2HE LYS 26 1HE LYS 26 3.752 1.070 5.522 190 1HZ LYS 26 1HZ LYS 26 4.841 2.924 6.131 191 2HZ LYS 26 2HZ LYS 26 3.453 3.711 5.571 192 3HZ LYS 26 3HZ LYS 26 4.818 3.599 4.579 193 H MET 27 H MET 27 4.725 -2.051 -0.158 194 HA MET 27 HA MET 27 2.397 -3.697 -0.571 195 1HB MET 27 2HB MET 27 3.335 -2.540 -2.833 196 2HB MET 27 1HB MET 27 4.331 -3.988 -2.791 197 1HG MET 27 2HG MET 27 2.146 -5.267 -2.477 198 2HG MET 27 1HG MET 27 1.349 -3.775 -2.970 199 1HE MET 27 1HE MET 27 0.933 -3.027 -4.970 200 2HE MET 27 2HE MET 27 0.322 -4.542 -5.637 201 3HE MET 27 3HE MET 27 1.488 -3.583 -6.549 202 H TRP 28 H TRP 28 2.994 -5.065 1.035 203 HA TRP 28 HA TRP 28 5.579 -5.852 1.685 204 1HB TRP 28 2HB TRP 28 3.125 -6.290 2.767 205 2HB TRP 28 1HB TRP 28 3.494 -7.891 2.131 206 HD1 TRP 28 HD TRP 28 6.719 -7.597 2.743 207 HE1 TRP 28 1HE TRP 28 7.492 -7.931 5.175 208 HE3 TRP 28 3HE TRP 28 2.277 -6.757 5.130 209 HZ2 TRP 28 2HZ TRP 28 6.368 -7.847 7.762 210 HZ3 TRP 28 3HZ TRP 28 2.212 -6.903 7.585 211 HH2 TRP 28 HH TRP 28 4.215 -7.437 8.872 212 H CYS 29 H CYS 29 3.331 -7.240 -0.652 213 HA CYS 29 HA CYS 29 3.610 -8.800 -2.294 214 1HB CYS 29 2HB CYS 29 6.142 -7.406 -2.051 215 2HB CYS 29 1HB CYS 29 6.390 -9.071 -2.576 216 H ASP 30 H ASP 30 5.442 -10.786 -2.759 217 HA ASP 30 HA ASP 30 4.972 -12.531 -0.470 218 1HB ASP 30 2HB ASP 30 5.588 -14.357 -1.995 219 2HB ASP 30 1HB ASP 30 4.325 -13.347 -2.691 220 H ALA 31 H ALA 31 7.630 -11.227 -2.378 221 HA ALA 31 HA ALA 31 9.460 -11.385 -0.229 222 1HB ALA 31 1HB ALA 31 9.910 -13.594 -0.445 223 2HB ALA 31 2HB ALA 31 10.996 -13.003 -1.704 224 3HB ALA 31 3HB ALA 31 9.411 -13.644 -2.137 225 H PHE 32 H PHE 32 9.450 -11.624 -3.790 226 HA PHE 32 HA PHE 32 10.984 -9.120 -3.872 227 1HB PHE 32 2HB PHE 32 11.934 -10.389 -6.084 228 2HB PHE 32 1HB PHE 32 12.761 -10.351 -4.532 229 HD1 PHE 32 1HD PHE 32 13.661 -12.355 -3.914 230 HD2 PHE 32 2HD PHE 32 9.985 -12.337 -6.056 231 HE1 PHE 32 1HE PHE 32 13.601 -14.813 -3.820 232 HE2 PHE 32 2HE PHE 32 9.916 -14.795 -5.965 233 HZ PHE 32 HZ PHE 32 11.725 -16.036 -4.845 234 H CYS 33 H CYS 33 8.112 -10.088 -4.377 235 HA CYS 33 HA CYS 33 6.394 -9.608 -5.779 236 1HB CYS 33 2HB CYS 33 8.342 -7.486 -6.692 237 2HB CYS 33 1HB CYS 33 6.649 -7.544 -7.170 238 H SER 34 H SER 34 5.692 -9.490 -8.085 239 HA SER 34 HA SER 34 7.231 -10.040 -10.297 240 1HB SER 34 2HB SER 34 6.803 -12.553 -10.512 241 2HB SER 34 1HB SER 34 8.064 -12.066 -9.380 242 HG SER 34 HG SER 34 6.459 -12.260 -7.710 243 H SER 35 H SER 35 4.285 -10.750 -8.550 244 HA SER 35 HA SER 35 2.674 -9.833 -10.739 245 1HB SER 35 2HB SER 35 1.324 -12.147 -10.456 246 2HB SER 35 1HB SER 35 2.556 -11.904 -11.694 247 HG SER 35 HG SER 35 3.113 -13.761 -10.674 248 H ARG 36 H ARG 36 2.754 -11.560 -7.654 249 HA ARG 36 HA ARG 36 0.135 -10.713 -6.871 250 1HB ARG 36 2HB ARG 36 2.414 -12.033 -5.407 251 2HB ARG 36 1HB ARG 36 0.922 -11.582 -4.597 252 1HG ARG 36 2HG ARG 36 0.661 -13.838 -5.139 253 2HG ARG 36 1HG ARG 36 -0.276 -12.969 -6.356 254 1HD ARG 36 2HD ARG 36 1.076 -13.613 -8.038 255 2HD ARG 36 1HD ARG 36 2.535 -13.455 -7.062 256 HE ARG 36 HE ARG 36 0.985 -15.833 -7.489 257 1HH1 ARG 36 1HH1 ARG 36 3.196 -14.223 -5.322 258 2HH1 ARG 36 2HH1 ARG 36 3.771 -15.695 -4.614 259 1HH2 ARG 36 1HH2 ARG 36 1.739 -17.770 -6.558 260 2HH2 ARG 36 2HH2 ARG 36 2.944 -17.709 -5.316 261 H GLY 37 H GLY 37 0.288 -9.839 -4.337 262 1HA GLY 37 2HA GLY 37 2.116 -7.911 -3.608 263 2HA GLY 37 1HA GLY 37 0.966 -7.092 -4.655 264 H LYS 38 H LYS 38 -1.331 -8.567 -3.919 265 HA LYS 38 HA LYS 38 -3.071 -7.859 -2.543 266 1HB LYS 38 2HB LYS 38 -2.776 -9.379 -0.393 267 2HB LYS 38 1HB LYS 38 -3.125 -10.052 -1.977 268 1HG LYS 38 2HG LYS 38 -0.270 -9.746 -1.445 269 2HG LYS 38 1HG LYS 38 -1.094 -10.829 -0.323 270 1HD LYS 38 2HD LYS 38 -2.153 -11.688 -2.635 271 2HD LYS 38 1HD LYS 38 -0.589 -11.121 -3.222 272 1HE LYS 38 2HE LYS 38 -0.535 -13.499 -2.606 273 2HE LYS 38 1HE LYS 38 0.558 -12.531 -1.616 274 1HZ LYS 38 1HZ LYS 38 -0.690 -12.846 0.236 275 2HZ LYS 38 2HZ LYS 38 -1.077 -14.285 -0.566 276 3HZ LYS 38 3HZ LYS 38 -2.151 -12.978 -0.610 277 H VAL 39 H VAL 39 -0.749 -8.364 0.077 278 HA VAL 39 HA VAL 39 -1.679 -6.605 1.859 279 HB VAL 39 HB VAL 39 1.285 -6.799 1.402 280 1HG1 VAL 39 1HG1 VAL 39 0.606 -6.940 4.121 281 2HG1 VAL 39 2HG1 VAL 39 -0.400 -5.662 3.441 282 3HG1 VAL 39 3HG1 VAL 39 1.353 -5.588 3.272 283 1HG2 VAL 39 1HG2 VAL 39 0.633 -9.046 1.351 284 2HG2 VAL 39 2HG2 VAL 39 -0.645 -8.797 2.540 285 3HG2 VAL 39 3HG2 VAL 39 1.045 -8.765 3.044 286 H VAL 40 H VAL 40 -2.207 -4.574 1.880 287 HA VAL 40 HA VAL 40 -0.715 -2.673 0.192 288 HB VAL 40 HB VAL 40 -2.756 -1.299 0.150 289 1HG1 VAL 40 1HG1 VAL 40 -2.250 -3.159 -1.530 290 2HG1 VAL 40 2HG1 VAL 40 -3.903 -2.546 -1.473 291 3HG1 VAL 40 3HG1 VAL 40 -3.505 -4.079 -0.699 292 1HG2 VAL 40 1HG2 VAL 40 -4.884 -2.247 0.955 293 2HG2 VAL 40 2HG2 VAL 40 -3.739 -1.973 2.267 294 3HG2 VAL 40 3HG2 VAL 40 -4.000 -3.605 1.651 295 H GLU 41 H GLU 41 -0.959 -0.342 1.060 296 HA GLU 41 HA GLU 41 -1.368 0.113 3.809 297 1HB GLU 41 2HB GLU 41 1.163 -1.040 3.158 298 2HB GLU 41 1HB GLU 41 1.428 0.615 3.690 299 1HG GLU 41 2HG GLU 41 -0.413 -0.475 5.492 300 2HG GLU 41 1HG GLU 41 0.804 -1.724 5.228 301 H LEU 42 H LEU 42 -1.957 1.336 1.269 302 HA LEU 42 HA LEU 42 -0.357 3.652 0.870 303 1HB LEU 42 2HB LEU 42 -2.374 2.416 -0.511 304 2HB LEU 42 1HB LEU 42 -3.190 3.838 0.108 305 HG LEU 42 HG LEU 42 -0.622 3.953 -1.466 306 1HD1 LEU 42 1HD1 LEU 42 -3.351 3.525 -2.357 307 2HD1 LEU 42 2HD1 LEU 42 -1.835 3.421 -3.253 308 3HD1 LEU 42 3HD1 LEU 42 -2.634 4.979 -3.051 309 1HD2 LEU 42 1HD2 LEU 42 -2.116 6.308 -1.708 310 2HD2 LEU 42 2HD2 LEU 42 -0.618 6.074 -0.809 311 3HD2 LEU 42 3HD2 LEU 42 -2.171 5.881 0.003 312 H GLY 43 H GLY 43 -0.565 5.730 1.681 313 1HA GLY 43 2HA GLY 43 -2.682 6.960 2.856 314 2HA GLY 43 1HA GLY 43 -2.055 5.955 4.155 315 H CYS 44 H CYS 44 -0.234 7.666 1.654 316 HA CYS 44 HA CYS 44 1.367 9.276 1.782 317 1HB CYS 44 2HB CYS 44 -0.014 10.169 4.314 318 2HB CYS 44 1HB CYS 44 0.928 11.154 3.193 319 H ALA 45 H ALA 45 3.323 9.854 2.796 320 HA ALA 45 HA ALA 45 4.017 8.322 5.206 321 1HB ALA 45 1HB ALA 45 5.454 8.343 2.574 322 2HB ALA 45 2HB ALA 45 4.950 6.965 3.555 323 3HB ALA 45 3HB ALA 45 6.298 7.975 4.080 324 H ALA 46 H ALA 46 5.954 10.348 3.031 325 HA ALA 46 HA ALA 46 5.886 12.758 4.342 326 1HB ALA 46 1HB ALA 46 8.355 12.101 5.476 327 2HB ALA 46 2HB ALA 46 7.272 10.779 5.910 328 3HB ALA 46 3HB ALA 46 6.844 12.440 6.323 329 H THR 47 H THR 47 7.864 10.378 2.711 330 HA THR 47 HA THR 47 8.962 12.522 1.048 331 HB THR 47 HB THR 47 10.631 12.035 2.802 332 HG1 THR 47 1HG THR 47 11.247 12.575 0.602 333 1HG2 THR 47 1HG2 THR 47 11.902 9.848 2.518 334 2HG2 THR 47 2HG2 THR 47 10.448 9.249 1.719 335 3HG2 THR 47 3HG2 THR 47 10.372 9.797 3.394 336 H CYS 48 H CYS 48 10.667 10.987 -0.507 337 HA CYS 48 HA CYS 48 9.150 8.723 -1.488 338 1HB CYS 48 2HB CYS 48 8.072 10.478 -2.719 339 2HB CYS 48 1HB CYS 48 9.614 11.198 -3.159 340 HA PRO 49 HA PRO 49 13.485 9.135 -3.959 341 1HB PRO 49 2HB PRO 49 15.072 10.509 -1.994 342 2HB PRO 49 1HB PRO 49 14.768 10.975 -3.667 343 1HG PRO 49 2HG PRO 49 13.461 11.905 -1.190 344 2HG PRO 49 1HG PRO 49 13.606 12.715 -2.759 345 1HD PRO 49 2HD PRO 49 11.269 11.713 -1.901 346 2HD PRO 49 1HD PRO 49 11.726 11.660 -3.614 347 H SER 50 H SER 50 12.759 8.959 -0.560 348 HA SER 50 HA SER 50 14.693 7.487 0.609 349 1HB SER 50 2HB SER 50 12.241 8.222 1.346 350 2HB SER 50 1HB SER 50 11.885 6.535 0.979 351 HG SER 50 HG SER 50 13.546 5.949 2.448 352 H LYS 51 H LYS 51 15.496 5.443 0.529 353 HA LYS 51 HA LYS 51 14.265 3.121 -0.247 354 1HB LYS 51 2HB LYS 51 15.301 2.837 -2.581 355 2HB LYS 51 1HB LYS 51 13.846 3.812 -2.443 356 1HG LYS 51 2HG LYS 51 14.887 5.492 -3.429 357 2HG LYS 51 1HG LYS 51 16.054 5.546 -2.108 358 1HD LYS 51 2HD LYS 51 17.633 4.398 -3.277 359 2HD LYS 51 1HD LYS 51 16.441 3.447 -4.161 360 1HE LYS 51 2HE LYS 51 16.639 6.372 -4.693 361 2HE LYS 51 1HE LYS 51 17.864 5.299 -5.368 362 1HZ LYS 51 1HZ LYS 51 16.249 5.412 -7.009 363 2HZ LYS 51 2HZ LYS 51 14.964 5.359 -5.911 364 3HZ LYS 51 3HZ LYS 51 15.871 3.965 -6.217 365 H LYS 52 H LYS 52 15.942 3.348 1.670 366 HA LYS 52 HA LYS 52 18.626 2.654 0.747 367 1HB LYS 52 2HB LYS 52 17.488 3.655 3.312 368 2HB LYS 52 1HB LYS 52 18.965 2.701 3.377 369 1HG LYS 52 2HG LYS 52 20.030 4.622 3.040 370 2HG LYS 52 1HG LYS 52 19.482 4.498 1.368 371 1HD LYS 52 2HD LYS 52 18.932 6.686 2.223 372 2HD LYS 52 1HD LYS 52 17.446 5.764 1.985 373 1HE LYS 52 2HE LYS 52 16.977 6.481 4.069 374 2HE LYS 52 1HE LYS 52 18.000 5.127 4.546 375 1HZ LYS 52 1HZ LYS 52 18.516 7.981 4.691 376 2HZ LYS 52 2HZ LYS 52 19.826 7.027 4.207 377 3HZ LYS 52 3HZ LYS 52 19.064 6.727 5.687 378 HA PRO 53 HA PRO 53 17.745 -1.223 3.362 379 1HB PRO 53 2HB PRO 53 15.522 -1.436 4.858 380 2HB PRO 53 1HB PRO 53 16.954 -0.571 5.434 381 1HG PRO 53 2HG PRO 53 14.434 0.521 4.243 382 2HG PRO 53 1HG PRO 53 15.348 1.100 5.647 383 1HD PRO 53 2HD PRO 53 15.534 2.221 3.167 384 2HD PRO 53 1HD PRO 53 16.856 2.236 4.350 385 H TYR 54 H TYR 54 16.455 -3.210 3.140 386 HA TYR 54 HA TYR 54 15.110 -3.269 0.596 387 1HB TYR 54 2HB TYR 54 14.645 -5.723 1.878 388 2HB TYR 54 1HB TYR 54 15.940 -5.356 0.738 389 HD1 TYR 54 1HD TYR 54 15.052 -5.567 4.298 390 HD2 TYR 54 2HD TYR 54 18.181 -5.039 1.475 391 HE1 TYR 54 1HE TYR 54 16.696 -5.790 6.096 392 HE2 TYR 54 2HE TYR 54 19.843 -5.273 3.255 393 HH TYR 54 HH TYR 54 19.549 -4.816 6.126 394 H GLU 55 H GLU 55 13.308 -1.864 0.953 395 HA GLU 55 HA GLU 55 11.196 -3.029 2.643 396 1HB GLU 55 2HB GLU 55 11.158 -0.209 1.619 397 2HB GLU 55 1HB GLU 55 10.291 -0.895 2.985 398 1HG GLU 55 2HG GLU 55 13.079 -1.190 3.461 399 2HG GLU 55 1HG GLU 55 12.771 0.473 2.967 400 H GLU 56 H GLU 56 9.433 -0.948 1.146 401 HA GLU 56 HA GLU 56 9.119 -2.368 -1.380 402 1HB GLU 56 2HB GLU 56 6.569 -2.270 -0.828 403 2HB GLU 56 1HB GLU 56 7.559 -3.576 -0.201 404 1HG GLU 56 2HG GLU 56 7.706 -1.624 1.756 405 2HG GLU 56 1HG GLU 56 6.033 -1.566 1.210 406 H VAL 57 H VAL 57 6.525 -0.363 -0.272 407 HA VAL 57 HA VAL 57 5.641 1.550 -1.104 408 HB VAL 57 HB VAL 57 7.011 3.537 -0.954 409 1HG1 VAL 57 1HG1 VAL 57 8.123 2.911 1.376 410 2HG1 VAL 57 2HG1 VAL 57 7.137 1.466 1.160 411 3HG1 VAL 57 3HG1 VAL 57 6.378 3.057 1.173 412 1HG2 VAL 57 1HG2 VAL 57 9.352 3.558 -0.726 413 2HG2 VAL 57 2HG2 VAL 57 9.031 2.441 -2.053 414 3HG2 VAL 57 3HG2 VAL 57 9.425 1.818 -0.451 415 H THR 58 H THR 58 5.535 3.107 -2.865 416 HA THR 58 HA THR 58 7.180 2.568 -5.196 417 HB THR 58 HB THR 58 4.404 2.564 -6.025 418 HG1 THR 58 1HG THR 58 4.136 1.485 -4.007 419 1HG2 THR 58 1HG2 THR 58 6.836 0.955 -6.514 420 2HG2 THR 58 2HG2 THR 58 5.722 1.712 -7.654 421 3HG2 THR 58 3HG2 THR 58 5.275 0.208 -6.849 422 H CYS 59 H CYS 59 6.308 4.795 -3.266 423 HA CYS 59 HA CYS 59 5.808 7.015 -3.317 424 1HB CYS 59 2HB CYS 59 7.922 6.768 -4.748 425 2HB CYS 59 1HB CYS 59 6.858 6.988 -6.138 426 H CYS 60 H CYS 60 3.606 7.188 -3.255 427 HA CYS 60 HA CYS 60 2.054 6.911 -5.689 428 1HB CYS 60 2HB CYS 60 1.234 6.114 -3.440 429 2HB CYS 60 1HB CYS 60 1.087 7.798 -2.960 430 H SER 61 H SER 61 0.866 9.408 -3.649 431 HA SER 61 HA SER 61 0.706 11.660 -3.845 432 1HB SER 61 2HB SER 61 2.582 12.879 -4.383 433 2HB SER 61 1HB SER 61 3.317 11.300 -4.098 434 HG SER 61 HG SER 61 3.242 12.762 -6.362 435 H THR 62 H THR 62 1.803 10.461 -7.033 436 HA THR 62 HA THR 62 0.454 12.250 -8.625 437 HB THR 62 HB THR 62 0.703 10.694 -10.425 438 HG1 THR 62 1HG THR 62 1.109 8.508 -10.047 439 1HG2 THR 62 1HG2 THR 62 2.819 11.526 -9.138 440 2HG2 THR 62 2HG2 THR 62 2.953 10.320 -10.418 441 3HG2 THR 62 3HG2 THR 62 2.979 9.818 -8.728 442 H ASP 63 H ASP 63 -1.259 11.131 -10.320 443 HA ASP 63 HA ASP 63 -3.742 11.463 -9.337 444 1HB ASP 63 2HB ASP 63 -4.553 9.919 -11.161 445 2HB ASP 63 1HB ASP 63 -3.448 11.185 -11.690 446 H LYS 64 H LYS 64 -5.516 10.007 -8.861 447 HA LYS 64 HA LYS 64 -5.262 8.542 -6.615 448 1HB LYS 64 2HB LYS 64 -7.169 7.959 -8.886 449 2HB LYS 64 1HB LYS 64 -7.347 7.359 -7.240 450 1HG LYS 64 2HG LYS 64 -7.723 9.536 -6.391 451 2HG LYS 64 1HG LYS 64 -7.226 10.287 -7.908 452 1HD LYS 64 2HD LYS 64 -9.460 10.390 -8.250 453 2HD LYS 64 1HD LYS 64 -9.222 8.733 -8.807 454 1HE LYS 64 2HE LYS 64 -9.724 7.969 -6.479 455 2HE LYS 64 1HE LYS 64 -10.146 9.635 -6.084 456 1HZ LYS 64 1HZ LYS 64 -11.548 7.732 -7.834 457 2HZ LYS 64 2HZ LYS 64 -11.716 9.392 -8.110 458 3HZ LYS 64 3HZ LYS 64 -12.173 8.733 -6.621 459 H CYS 65 H CYS 65 -3.457 7.270 -6.498 460 HA CYS 65 HA CYS 65 -2.333 5.492 -8.172 461 1HB CYS 65 2HB CYS 65 -2.729 5.453 -5.215 462 2HB CYS 65 1HB CYS 65 -2.054 4.020 -5.981 463 H ASN 66 H ASN 66 -5.260 4.905 -6.287 464 HA ASN 66 HA ASN 66 -6.736 3.155 -6.245 465 1HB ASN 66 2HB ASN 66 -6.338 3.993 -9.055 466 2HB ASN 66 1HB ASN 66 -7.187 2.468 -8.820 467 1HD2 ASN 66 1HD2 ASN 66 -7.222 5.325 -6.759 468 2HD2 ASN 66 2HD2 ASN 66 -8.908 5.655 -6.937 469 HA PRO 67 HA PRO 67 -3.412 -0.100 -7.072 470 1HB PRO 67 2HB PRO 67 -2.850 -0.725 -4.501 471 2HB PRO 67 1HB PRO 67 -2.014 0.566 -5.370 472 1HG PRO 67 2HG PRO 67 -4.281 0.754 -3.423 473 2HG PRO 67 1HG PRO 67 -2.823 1.756 -3.542 474 1HD PRO 67 2HD PRO 67 -5.226 2.545 -4.520 475 2HD PRO 67 1HD PRO 67 -3.685 3.031 -5.256 476 H HIS 68 H HIS 68 -6.412 0.202 -5.505 477 HA HIS 68 HA HIS 68 -8.092 -1.254 -5.034 478 1HB HIS 68 2HB HIS 68 -6.475 -2.766 -7.050 479 2HB HIS 68 1HB HIS 68 -7.801 -3.583 -6.227 480 HD1 HIS 68 1HD HIS 68 -7.963 -3.128 -9.242 481 HD2 HIS 68 2HD HIS 68 -9.485 -0.477 -6.428 482 HE1 HIS 68 1HE HIS 68 -9.727 -1.805 -10.449 483 HE2 HIS 68 2HE HIS 68 -10.567 -0.143 -8.752 484 HA PRO 69 HA PRO 69 -7.300 -3.589 -1.415 485 1HB PRO 69 2HB PRO 69 -8.604 -5.887 -2.836 486 2HB PRO 69 1HB PRO 69 -8.841 -5.317 -1.180 487 1HG PRO 69 2HG PRO 69 -10.600 -4.675 -3.035 488 2HG PRO 69 1HG PRO 69 -10.073 -3.459 -1.857 489 1HD PRO 69 2HD PRO 69 -9.345 -3.745 -4.737 490 2HD PRO 69 1HD PRO 69 -9.533 -2.274 -3.759 491 H LYS 70 H LYS 70 -7.103 -6.084 -3.970 492 HA LYS 70 HA LYS 70 -4.283 -6.459 -3.268 493 1HB LYS 70 2HB LYS 70 -4.612 -8.493 -2.404 494 2HB LYS 70 1HB LYS 70 -6.324 -8.133 -2.421 495 1HG LYS 70 2HG LYS 70 -5.668 -9.082 -4.997 496 2HG LYS 70 1HG LYS 70 -4.889 -10.146 -3.828 497 1HD LYS 70 2HD LYS 70 -7.808 -9.387 -3.888 498 2HD LYS 70 1HD LYS 70 -7.126 -10.946 -4.357 499 1HE LYS 70 2HE LYS 70 -6.615 -11.516 -2.170 500 2HE LYS 70 1HE LYS 70 -6.630 -9.843 -1.622 501 1HZ LYS 70 1HZ LYS 70 -9.177 -10.354 -2.548 502 2HZ LYS 70 2HZ LYS 70 -8.692 -10.195 -0.935 503 3HZ LYS 70 3HZ LYS 70 -8.749 -11.726 -1.654 504 H GLN 71 H GLN 71 -3.373 -8.266 -4.901 505 HA GLN 71 HA GLN 71 -4.223 -7.386 -7.586 506 1HB GLN 71 2HB GLN 71 -1.841 -6.842 -6.550 507 2HB GLN 71 1HB GLN 71 -1.482 -8.461 -7.136 508 1HG GLN 71 2HG GLN 71 -0.867 -6.721 -8.745 509 2HG GLN 71 1HG GLN 71 -2.083 -7.827 -9.383 510 1HE2 GLN 71 1HE2 GLN 71 -3.795 -6.955 -10.309 511 2HE2 GLN 71 2HE2 GLN 71 -4.335 -5.326 -10.116 512 H ARG 72 H ARG 72 -4.006 -10.044 -5.541 513 HA ARG 72 HA ARG 72 -4.124 -12.295 -5.785 514 1HB ARG 72 2HB ARG 72 -5.838 -13.070 -7.244 515 2HB ARG 72 1HB ARG 72 -6.331 -11.499 -6.642 516 1HG ARG 72 2HG ARG 72 -4.887 -11.503 -9.215 517 2HG ARG 72 1HG ARG 72 -6.481 -12.248 -9.218 518 1HD ARG 72 2HD ARG 72 -5.717 -9.421 -8.972 519 2HD ARG 72 1HD ARG 72 -7.179 -10.146 -9.618 520 HE ARG 72 HE ARG 72 -6.682 -9.372 -6.849 521 1HH1 ARG 72 1HH1 ARG 72 -8.823 -10.865 -9.178 522 2HH1 ARG 72 2HH1 ARG 72 -10.229 -10.677 -8.186 523 1HH2 ARG 72 1HH2 ARG 72 -8.540 -9.120 -5.559 524 2HH2 ARG 72 2HH2 ARG 72 -10.069 -9.693 -6.133 525 HA PRO 73 HA PRO 73 -1.133 -14.085 -8.451 526 1HB PRO 73 2HB PRO 73 -2.877 -16.336 -9.188 527 2HB PRO 73 1HB PRO 73 -1.385 -16.336 -8.244 528 1HG PRO 73 2HG PRO 73 -3.782 -16.776 -7.109 529 2HG PRO 73 1HG PRO 73 -2.483 -15.920 -6.260 530 1HD PRO 73 2HD PRO 73 -4.898 -14.809 -7.643 531 2HD PRO 73 1HD PRO 73 -4.166 -14.330 -6.095 532 H GLY 74 H GLY 74 -0.467 -13.811 -10.499 533 1HA GLY 74 2HA GLY 74 -2.465 -13.098 -12.502 534 2HA GLY 74 1HA GLY 74 -0.724 -12.862 -12.632 535 1H TYR 181 1HT TYR 181 -9.347 -18.007 20.059 536 2H TYR 181 2HT TYR 181 -7.817 -18.393 19.385 537 3H TYR 181 3HT TYR 181 -8.213 -16.762 19.743 538 HA TYR 181 HA TYR 181 -8.298 -17.251 22.056 539 1HB TYR 181 2HB TYR 181 -8.973 -19.694 21.485 540 2HB TYR 181 1HB TYR 181 -7.240 -19.993 21.413 541 HD1 TYR 181 1HD TYR 181 -9.343 -17.949 23.732 542 HD2 TYR 181 2HD TYR 181 -6.606 -21.176 23.294 543 HE1 TYR 181 1HE TYR 181 -9.299 -18.235 26.174 544 HE2 TYR 181 2HE TYR 181 -6.556 -21.473 25.734 545 HH TYR 181 HH TYR 181 -7.002 -19.917 27.789 546 H ARG 182 H ARG 182 -6.470 -16.813 23.244 547 HA ARG 182 HA ARG 182 -4.344 -16.156 23.650 548 1HB ARG 182 2HB ARG 182 -2.725 -17.731 23.353 549 2HB ARG 182 1HB ARG 182 -4.127 -18.727 23.002 550 1HG ARG 182 2HG ARG 182 -3.463 -17.672 20.536 551 2HG ARG 182 1HG ARG 182 -1.901 -17.964 21.300 552 1HD ARG 182 2HD ARG 182 -2.183 -20.218 21.326 553 2HD ARG 182 1HD ARG 182 -3.930 -20.105 21.537 554 HE ARG 182 HE ARG 182 -3.272 -19.190 18.971 555 1HH1 ARG 182 1HH1 ARG 182 -3.305 -22.154 20.813 556 2HH1 ARG 182 2HH1 ARG 182 -3.549 -23.160 19.424 557 1HH2 ARG 182 1HH2 ARG 182 -3.595 -20.510 17.146 558 2HH2 ARG 182 2HH2 ARG 182 -3.715 -22.227 17.341 559 H GLY 183 H GLY 183 -2.618 -14.870 22.839 560 1HA GLY 183 2HA GLY 183 -3.086 -13.904 20.084 561 2HA GLY 183 1HA GLY 183 -2.703 -12.828 21.419 562 H TRP 184 H TRP 184 -1.463 -14.629 18.869 563 HA TRP 184 HA TRP 184 1.275 -14.211 19.865 564 1HB TRP 184 2HB TRP 184 2.015 -16.241 18.834 565 2HB TRP 184 1HB TRP 184 0.602 -16.634 19.806 566 HD1 TRP 184 HD TRP 184 -1.808 -16.363 18.079 567 HE1 TRP 184 1HE TRP 184 -2.119 -17.602 15.846 568 HE3 TRP 184 3HE TRP 184 3.091 -17.372 17.023 569 HZ2 TRP 184 2HZ TRP 184 -0.500 -18.845 13.894 570 HZ3 TRP 184 3HZ TRP 184 3.625 -18.592 14.955 571 HH2 TRP 184 HH TRP 184 1.865 -19.314 13.423 572 H LYS 185 H LYS 185 -0.878 -14.330 17.080 573 HA LYS 185 HA LYS 185 0.910 -12.472 15.693 574 1HB LYS 185 2HB LYS 185 1.167 -14.917 14.908 575 2HB LYS 185 1HB LYS 185 -0.425 -14.709 14.192 576 1HG LYS 185 2HG LYS 185 0.499 -12.720 12.968 577 2HG LYS 185 1HG LYS 185 2.096 -13.212 13.537 578 1HD LYS 185 2HD LYS 185 2.187 -15.002 12.144 579 2HD LYS 185 1HD LYS 185 0.451 -15.304 12.245 580 1HE LYS 185 2HE LYS 185 0.032 -14.100 10.407 581 2HE LYS 185 1HE LYS 185 1.089 -12.788 10.924 582 1HZ LYS 185 1HZ LYS 185 2.262 -15.291 9.918 583 2HZ LYS 185 2HZ LYS 185 2.903 -13.726 9.897 584 3HZ LYS 185 3HZ LYS 185 1.668 -14.149 8.820 585 H HIS 186 H HIS 186 -0.135 -10.807 14.772 586 HA HIS 186 HA HIS 186 -2.906 -11.042 13.967 587 1HB HIS 186 2HB HIS 186 -2.305 -10.113 16.556 588 2HB HIS 186 1HB HIS 186 -2.710 -8.677 15.615 589 HD1 HIS 186 1HD HIS 186 -4.455 -10.075 17.930 590 HD2 HIS 186 2HD HIS 186 -5.109 -10.271 13.831 591 HE1 HIS 186 1HE HIS 186 -6.899 -10.602 17.663 592 HE2 HIS 186 2HE HIS 186 -7.252 -10.807 15.178 593 H TRP 187 H TRP 187 -0.494 -10.551 12.544 594 HA TRP 187 HA TRP 187 -0.333 -7.726 12.001 595 1HB TRP 187 2HB TRP 187 0.924 -10.105 10.624 596 2HB TRP 187 1HB TRP 187 1.242 -8.428 10.192 597 HD1 TRP 187 HD TRP 187 1.922 -10.982 12.968 598 HE1 TRP 187 1HE TRP 187 3.857 -10.111 14.424 599 HE3 TRP 187 3HE TRP 187 2.428 -6.315 10.942 600 HZ2 TRP 187 2HZ TRP 187 5.395 -7.758 14.681 601 HZ3 TRP 187 3HZ TRP 187 4.154 -4.815 11.850 602 HH2 TRP 187 HH TRP 187 5.606 -5.524 13.682 603 H VAL 188 H VAL 188 -0.650 -6.829 9.844 604 HA VAL 188 HA VAL 188 -3.117 -7.828 8.676 605 HB VAL 188 HB VAL 188 -1.984 -5.392 7.516 606 1HG1 VAL 188 1HG1 VAL 188 -4.316 -4.597 8.255 607 2HG1 VAL 188 2HG1 VAL 188 -4.596 -6.289 8.670 608 3HG1 VAL 188 3HG1 VAL 188 -4.207 -5.840 7.009 609 1HG2 VAL 188 1HG2 VAL 188 -1.092 -4.809 9.579 610 2HG2 VAL 188 2HG2 VAL 188 -2.394 -5.588 10.476 611 3HG2 VAL 188 3HG2 VAL 188 -2.694 -4.073 9.626 612 H TYR 189 H TYR 189 -3.366 -7.838 6.323 613 HA TYR 189 HA TYR 189 -0.944 -8.083 4.760 614 1HB TYR 189 2HB TYR 189 -2.190 -10.375 5.832 615 2HB TYR 189 1HB TYR 189 -2.602 -10.357 4.122 616 HD1 TYR 189 1HD TYR 189 0.369 -9.914 6.344 617 HD2 TYR 189 2HD TYR 189 -1.142 -11.330 2.628 618 HE1 TYR 189 1HE TYR 189 2.585 -10.832 5.799 619 HE2 TYR 189 2HE TYR 189 1.069 -12.252 2.072 620 HH TYR 189 HH TYR 189 3.579 -12.522 4.375 621 H TYR 190 H TYR 190 -3.849 -9.599 3.564 622 HA TYR 190 HA TYR 190 -4.046 -7.593 1.517 623 1HB TYR 190 2HB TYR 190 -5.563 -9.044 0.429 624 2HB TYR 190 1HB TYR 190 -4.359 -10.090 1.174 625 HD1 TYR 190 1HD TYR 190 -5.639 -9.738 4.041 626 HD2 TYR 190 2HD TYR 190 -7.184 -10.821 0.227 627 HE1 TYR 190 1HE TYR 190 -7.429 -11.013 5.136 628 HE2 TYR 190 2HE TYR 190 -8.983 -12.098 1.315 629 HH TYR 190 HH TYR 190 -10.131 -12.252 3.400 630 H THR 191 H THR 191 -5.835 -6.297 1.041 631 HA THR 191 HA THR 191 -7.024 -4.995 3.195 632 HB THR 191 HB THR 191 -8.483 -4.909 0.627 633 HG1 THR 191 1HG THR 191 -5.746 -4.224 0.856 634 1HG2 THR 191 1HG2 THR 191 -9.067 -3.031 1.678 635 2HG2 THR 191 2HG2 THR 191 -7.523 -2.420 1.086 636 3HG2 THR 191 3HG2 THR 191 -7.650 -3.055 2.727 637 H CYS 192 H CYS 192 -9.745 -4.706 2.507 638 HA CYS 192 HA CYS 192 -10.784 -7.141 3.712 639 1HB CYS 192 2HB CYS 192 -12.373 -5.844 4.637 640 2HB CYS 192 1HB CYS 192 -11.374 -4.499 4.127 641 H CYS 193 H CYS 193 -11.811 -4.999 1.144 642 HA CYS 193 HA CYS 193 -12.610 -7.244 -0.518 643 1HB CYS 193 2HB CYS 193 -14.816 -5.365 -0.064 644 2HB CYS 193 1HB CYS 193 -14.825 -7.124 -0.060 645 HA PRO 194 HA PRO 194 -12.160 -4.766 -4.154 646 1HB PRO 194 2HB PRO 194 -14.875 -4.349 -4.890 647 2HB PRO 194 1HB PRO 194 -13.764 -5.566 -5.520 648 1HG PRO 194 2HG PRO 194 -15.843 -5.808 -3.419 649 2HG PRO 194 1HG PRO 194 -15.231 -7.031 -4.546 650 1HD PRO 194 2HD PRO 194 -14.567 -7.078 -1.957 651 2HD PRO 194 1HD PRO 194 -13.390 -7.518 -3.213 652 H ASP 195 H ASP 195 -15.297 -3.512 -3.026 653 HA ASP 195 HA ASP 195 -14.041 -0.989 -2.310 654 1HB ASP 195 2HB ASP 195 -15.907 -1.400 -4.600 655 2HB ASP 195 1HB ASP 195 -16.085 0.073 -3.645 656 H THR 196 H THR 196 -17.456 -1.566 -2.987 657 HA THR 196 HA THR 196 -18.135 -2.010 -0.203 658 HB THR 196 HB THR 196 -19.432 0.409 -1.372 659 HG1 THR 196 1HG THR 196 -16.893 0.485 -0.114 660 1HG2 THR 196 1HG2 THR 196 -20.021 -0.616 0.865 661 2HG2 THR 196 2HG2 THR 196 -19.669 1.112 0.847 662 3HG2 THR 196 3HG2 THR 196 -18.456 -0.029 1.427 663 HA PRO 197 HA PRO 197 -21.344 -3.319 -3.434 664 1HB PRO 197 2HB PRO 197 -20.672 -5.899 -3.814 665 2HB PRO 197 1HB PRO 197 -19.961 -4.614 -4.799 666 1HG PRO 197 2HG PRO 197 -18.806 -6.052 -2.442 667 2HG PRO 197 1HG PRO 197 -18.025 -5.596 -3.967 668 1HD PRO 197 2HD PRO 197 -17.754 -4.177 -1.643 669 2HD PRO 197 1HD PRO 197 -17.615 -3.456 -3.259 670 H TYR 198 H TYR 198 -20.447 -3.419 -0.480 671 HA TYR 198 HA TYR 198 -21.696 -5.690 0.687 672 1HB TYR 198 2HB TYR 198 -19.708 -4.572 1.625 673 2HB TYR 198 1HB TYR 198 -20.645 -3.095 1.850 674 HD1 TYR 198 1HD TYR 198 -21.308 -6.698 2.637 675 HD2 TYR 198 2HD TYR 198 -21.010 -2.713 4.097 676 HE1 TYR 198 1HE TYR 198 -21.987 -7.472 4.870 677 HE2 TYR 198 2HE TYR 198 -21.686 -3.476 6.335 678 HH TYR 198 HH TYR 198 -23.216 -5.965 7.043 Start of MODEL 19 1 1H ILE 1 1HT ILE 1 -1.991 15.494 -4.492 2 2H ILE 1 2HT ILE 1 -2.019 17.209 -4.540 3 3H ILE 1 3HT ILE 1 -1.013 16.335 -5.621 4 HA ILE 1 HA ILE 1 -3.268 17.311 -6.350 5 HB ILE 1 HB ILE 1 -1.930 16.202 -7.933 6 1HG1 ILE 1 2HG1 ILE 1 -3.471 14.820 -9.196 7 2HG1 ILE 1 1HG1 ILE 1 -4.425 14.502 -7.751 8 1HG2 ILE 1 1HG2 ILE 1 -0.962 14.203 -7.698 9 2HG2 ILE 1 2HG2 ILE 1 -2.466 13.421 -7.214 10 3HG2 ILE 1 3HG2 ILE 1 -1.507 14.301 -6.025 11 1HD1 ILE 1 1HD1 ILE 1 -5.630 16.326 -8.079 12 2HD1 ILE 1 2HD1 ILE 1 -4.815 16.513 -9.632 13 3HD1 ILE 1 3HD1 ILE 1 -4.185 17.329 -8.201 14 H VAL 2 H VAL 2 -3.262 13.921 -5.200 15 HA VAL 2 HA VAL 2 -5.512 14.103 -3.590 16 HB VAL 2 HB VAL 2 -6.677 14.637 -5.739 17 1HG1 VAL 2 1HG1 VAL 2 -5.133 12.711 -6.847 18 2HG1 VAL 2 2HG1 VAL 2 -6.627 13.319 -7.559 19 3HG1 VAL 2 3HG1 VAL 2 -6.644 11.833 -6.610 20 1HG2 VAL 2 1HG2 VAL 2 -8.437 12.779 -5.434 21 2HG2 VAL 2 2HG2 VAL 2 -8.093 13.852 -4.077 22 3HG2 VAL 2 3HG2 VAL 2 -7.403 12.230 -4.115 23 H CYS 3 H CYS 3 -6.034 12.121 -2.621 24 HA CYS 3 HA CYS 3 -4.934 9.667 -3.686 25 1HB CYS 3 2HB CYS 3 -3.209 11.085 -2.183 26 2HB CYS 3 1HB CYS 3 -4.049 10.201 -0.906 27 H HIS 4 H HIS 4 -6.180 7.985 -3.148 28 HA HIS 4 HA HIS 4 -8.624 8.198 -1.924 29 1HB HIS 4 2HB HIS 4 -6.904 5.710 -1.909 30 2HB HIS 4 1HB HIS 4 -8.664 5.779 -1.802 31 HD1 HIS 4 1HD HIS 4 -9.966 6.076 -3.970 32 HD2 HIS 4 2HD HIS 4 -5.846 6.161 -4.500 33 HE1 HIS 4 1HE HIS 4 -9.607 5.915 -6.452 34 HE2 HIS 4 2HE HIS 4 -7.104 5.863 -6.741 35 H THR 5 H THR 5 -9.296 6.897 0.092 36 HA THR 5 HA THR 5 -7.982 8.087 2.342 37 HB THR 5 HB THR 5 -9.740 6.442 3.513 38 HG1 THR 5 1HG THR 5 -10.999 6.874 1.033 39 1HG2 THR 5 1HG2 THR 5 -10.048 9.098 2.291 40 2HG2 THR 5 2HG2 THR 5 -10.330 8.563 3.947 41 3HG2 THR 5 3HG2 THR 5 -11.538 8.249 2.700 42 H THR 6 H THR 6 -8.149 6.184 4.332 43 HA THR 6 HA THR 6 -5.724 4.935 4.332 44 HB THR 6 HB THR 6 -7.100 5.137 6.330 45 HG1 THR 6 1HG THR 6 -6.528 2.427 5.728 46 1HG2 THR 6 1HG2 THR 6 -8.953 3.381 4.838 47 2HG2 THR 6 2HG2 THR 6 -9.287 4.694 5.967 48 3HG2 THR 6 3HG2 THR 6 -8.792 3.114 6.574 49 H ALA 7 H ALA 7 -8.596 3.907 2.691 50 HA ALA 7 HA ALA 7 -8.809 2.374 0.999 51 1HB ALA 7 1HB ALA 7 -7.003 1.458 0.025 52 2HB ALA 7 2HB ALA 7 -6.366 0.835 1.547 53 3HB ALA 7 3HB ALA 7 -6.110 2.524 1.110 54 H THR 8 H THR 8 -10.505 1.680 2.450 55 HA THR 8 HA THR 8 -9.955 -0.628 4.129 56 HB THR 8 HB THR 8 -12.762 0.141 3.646 57 HG1 THR 8 1HG THR 8 -10.881 1.961 4.709 58 1HG2 THR 8 1HG2 THR 8 -11.713 -1.335 5.522 59 2HG2 THR 8 2HG2 THR 8 -13.064 -0.256 5.872 60 3HG2 THR 8 3HG2 THR 8 -11.419 0.223 6.294 61 H SER 9 H SER 9 -11.741 0.172 1.181 62 HA SER 9 HA SER 9 -11.327 -2.451 0.145 63 1HB SER 9 2HB SER 9 -13.966 -1.739 1.317 64 2HB SER 9 1HB SER 9 -13.966 -2.638 -0.203 65 HG SER 9 HG SER 9 -13.625 -3.593 2.214 66 HA PRO 10 HA PRO 10 -13.290 -0.068 -3.382 67 1HB PRO 10 2HB PRO 10 -15.287 1.690 -3.071 68 2HB PRO 10 1HB PRO 10 -15.571 -0.053 -2.998 69 1HG PRO 10 2HG PRO 10 -15.328 1.918 -0.764 70 2HG PRO 10 1HG PRO 10 -16.446 0.556 -0.943 71 1HD PRO 10 2HD PRO 10 -14.134 0.500 0.566 72 2HD PRO 10 1HD PRO 10 -14.957 -0.926 -0.092 73 H ILE 11 H ILE 11 -14.364 2.914 -1.989 74 HA ILE 11 HA ILE 11 -11.787 4.151 -1.796 75 HB ILE 11 HB ILE 11 -12.354 5.866 -3.599 76 1HG1 ILE 11 2HG1 ILE 11 -13.863 3.701 -4.984 77 2HG1 ILE 11 1HG1 ILE 11 -14.725 4.658 -3.784 78 1HG2 ILE 11 1HG2 ILE 11 -11.787 3.203 -4.821 79 2HG2 ILE 11 2HG2 ILE 11 -10.666 3.885 -3.643 80 3HG2 ILE 11 3HG2 ILE 11 -11.029 4.766 -5.127 81 1HD1 ILE 11 1HD1 ILE 11 -13.849 5.363 -6.474 82 2HD1 ILE 11 2HD1 ILE 11 -13.489 6.587 -5.257 83 3HD1 ILE 11 3HD1 ILE 11 -15.147 6.032 -5.485 84 H SER 12 H SER 12 -11.986 6.495 -1.299 85 HA SER 12 HA SER 12 -14.380 7.827 -0.863 86 1HB SER 12 2HB SER 12 -14.222 5.730 0.922 87 2HB SER 12 1HB SER 12 -13.620 7.090 1.868 88 HG SER 12 HG SER 12 -15.678 7.476 2.119 89 H ALA 13 H ALA 13 -14.123 9.854 0.074 90 HA ALA 13 HA ALA 13 -12.945 11.793 0.354 91 1HB ALA 13 1HB ALA 13 -12.740 10.155 2.584 92 2HB ALA 13 2HB ALA 13 -12.455 11.893 2.518 93 3HB ALA 13 3HB ALA 13 -11.106 10.773 2.338 94 H VAL 14 H VAL 14 -11.905 10.414 -1.835 95 HA VAL 14 HA VAL 14 -9.114 10.051 -1.726 96 HB VAL 14 HB VAL 14 -10.448 10.920 -4.257 97 1HG1 VAL 14 1HG1 VAL 14 -8.718 8.528 -3.998 98 2HG1 VAL 14 2HG1 VAL 14 -7.969 10.110 -3.777 99 3HG1 VAL 14 3HG1 VAL 14 -8.805 9.732 -5.283 100 1HG2 VAL 14 1HG2 VAL 14 -11.043 8.423 -2.715 101 2HG2 VAL 14 2HG2 VAL 14 -11.074 8.407 -4.478 102 3HG2 VAL 14 3HG2 VAL 14 -12.146 9.488 -3.587 103 H THR 15 H THR 15 -7.918 11.674 -0.946 104 HA THR 15 HA THR 15 -7.031 13.786 -2.399 105 HB THR 15 HB THR 15 -8.985 15.012 -2.537 106 HG1 THR 15 1HG THR 15 -8.107 15.898 0.000 107 1HG2 THR 15 1HG2 THR 15 -10.275 15.292 -0.160 108 2HG2 THR 15 2HG2 THR 15 -9.752 13.609 -0.096 109 3HG2 THR 15 3HG2 THR 15 -10.736 14.175 -1.445 110 H CYS 16 H CYS 16 -5.156 14.217 -1.435 111 HA CYS 16 HA CYS 16 -5.021 14.028 1.504 112 1HB CYS 16 2HB CYS 16 -3.585 12.586 -0.386 113 2HB CYS 16 1HB CYS 16 -2.455 13.841 0.123 114 HA PRO 17 HA PRO 17 -4.282 18.487 0.490 115 1HB PRO 17 2HB PRO 17 -5.143 18.741 3.306 116 2HB PRO 17 1HB PRO 17 -5.704 19.606 1.875 117 1HG PRO 17 2HG PRO 17 -7.205 17.726 3.068 118 2HG PRO 17 1HG PRO 17 -7.223 17.969 1.311 119 1HD PRO 17 2HD PRO 17 -5.889 15.836 2.919 120 2HD PRO 17 1HD PRO 17 -6.664 15.734 1.328 121 HA PRO 18 HA PRO 18 -1.399 18.542 4.487 122 1HB PRO 18 2HB PRO 18 -1.280 15.611 4.952 123 2HB PRO 18 1HB PRO 18 -1.315 16.935 6.120 124 1HG PRO 18 2HG PRO 18 -3.466 15.416 5.714 125 2HG PRO 18 1HG PRO 18 -3.616 17.160 5.998 126 1HD PRO 18 2HD PRO 18 -3.824 15.627 3.441 127 2HD PRO 18 1HD PRO 18 -4.754 17.033 3.995 128 H GLY 19 H GLY 19 0.893 17.645 4.744 129 1HA GLY 19 2HA GLY 19 2.918 17.216 3.753 130 2HA GLY 19 1HA GLY 19 2.082 15.899 2.938 131 H GLU 20 H GLU 20 3.702 16.469 1.258 132 HA GLU 20 HA GLU 20 2.442 18.076 -0.761 133 1HB GLU 20 2HB GLU 20 4.078 19.504 0.842 134 2HB GLU 20 1HB GLU 20 5.246 18.925 -0.338 135 1HG GLU 20 2HG GLU 20 4.337 20.136 -2.043 136 2HG GLU 20 1HG GLU 20 2.721 20.128 -1.337 137 H ASN 21 H ASN 21 3.496 15.310 -0.196 138 HA ASN 21 HA ASN 21 4.935 15.012 -2.728 139 1HB ASN 21 2HB ASN 21 5.808 13.982 -0.045 140 2HB ASN 21 1HB ASN 21 6.250 13.123 -1.519 141 1HD2 ASN 21 1HD2 ASN 21 8.162 13.631 -2.264 142 2HD2 ASN 21 2HD2 ASN 21 8.946 15.164 -2.121 143 H LEU 22 H LEU 22 2.196 14.379 -1.275 144 HA LEU 22 HA LEU 22 0.510 12.910 -1.675 145 1HB LEU 22 2HB LEU 22 2.351 12.488 -3.809 146 2HB LEU 22 1HB LEU 22 1.666 10.947 -3.330 147 HG LEU 22 HG LEU 22 -0.453 12.856 -3.511 148 1HD1 LEU 22 1HD1 LEU 22 0.272 14.220 -5.124 149 2HD1 LEU 22 2HD1 LEU 22 0.050 12.843 -6.205 150 3HD1 LEU 22 3HD1 LEU 22 1.639 13.179 -5.521 151 1HD2 LEU 22 1HD2 LEU 22 -0.090 10.213 -3.974 152 2HD2 LEU 22 2HD2 LEU 22 -0.157 10.834 -5.624 153 3HD2 LEU 22 3HD2 LEU 22 -1.493 11.134 -4.514 154 H CYS 23 H CYS 23 0.263 10.301 -1.966 155 HA CYS 23 HA CYS 23 0.705 9.230 0.567 156 1HB CYS 23 2HB CYS 23 -0.062 7.999 -2.063 157 2HB CYS 23 1HB CYS 23 0.114 7.025 -0.604 158 H TYR 24 H TYR 24 1.698 6.940 0.782 159 HA TYR 24 HA TYR 24 4.428 6.988 -0.333 160 1HB TYR 24 2HB TYR 24 3.417 6.442 2.424 161 2HB TYR 24 1HB TYR 24 4.834 5.567 1.869 162 HD1 TYR 24 1HD TYR 24 4.655 8.797 0.388 163 HD2 TYR 24 2HD TYR 24 5.792 6.756 3.940 164 HE1 TYR 24 1HE TYR 24 6.069 10.705 1.021 165 HE2 TYR 24 2HE TYR 24 7.212 8.658 4.586 166 HH TYR 24 HH TYR 24 7.307 11.624 2.661 167 H ARG 25 H ARG 25 2.036 4.854 1.166 168 HA ARG 25 HA ARG 25 1.238 2.809 0.579 169 1HB ARG 25 2HB ARG 25 1.303 2.103 -1.582 170 2HB ARG 25 1HB ARG 25 1.861 3.745 -1.849 171 1HG ARG 25 2HG ARG 25 3.611 2.885 -2.896 172 2HG ARG 25 1HG ARG 25 4.178 2.290 -1.338 173 1HD ARG 25 2HD ARG 25 4.152 0.409 -2.747 174 2HD ARG 25 1HD ARG 25 2.708 0.259 -1.747 175 HE ARG 25 HE ARG 25 1.466 0.362 -3.651 176 1HH1 ARG 25 1HH1 ARG 25 4.561 1.835 -4.299 177 2HH1 ARG 25 2HH1 ARG 25 4.228 2.093 -5.978 178 1HH2 ARG 25 1HH2 ARG 25 1.026 0.700 -5.860 179 2HH2 ARG 25 2HH2 ARG 25 2.220 1.449 -6.865 180 H LYS 26 H LYS 26 2.126 0.481 0.298 181 HA LYS 26 HA LYS 26 4.804 -0.157 0.801 182 1HB LYS 26 2HB LYS 26 4.048 1.128 2.961 183 2HB LYS 26 1HB LYS 26 3.236 -0.380 3.348 184 1HG LYS 26 2HG LYS 26 5.987 -0.799 2.532 185 2HG LYS 26 1HG LYS 26 5.853 0.270 3.930 186 1HD LYS 26 2HD LYS 26 4.616 -1.373 5.153 187 2HD LYS 26 1HD LYS 26 4.474 -2.403 3.727 188 1HE LYS 26 2HE LYS 26 6.423 -3.376 4.168 189 2HE LYS 26 1HE LYS 26 7.237 -1.815 4.251 190 1HZ LYS 26 1HZ LYS 26 7.547 -2.730 6.345 191 2HZ LYS 26 2HZ LYS 26 5.978 -3.353 6.433 192 3HZ LYS 26 3HZ LYS 26 6.234 -1.688 6.582 193 H MET 27 H MET 27 3.730 -1.650 -0.784 194 HA MET 27 HA MET 27 1.891 -3.563 0.321 195 1HB MET 27 2HB MET 27 3.294 -3.523 -2.358 196 2HB MET 27 1HB MET 27 2.015 -4.640 -1.905 197 1HG MET 27 2HG MET 27 0.381 -3.053 -2.046 198 2HG MET 27 1HG MET 27 1.485 -1.726 -1.687 199 1HE MET 27 1HE MET 27 -0.099 -3.166 -5.520 200 2HE MET 27 2HE MET 27 -0.218 -3.928 -3.934 201 3HE MET 27 3HE MET 27 1.077 -4.388 -5.039 202 H TRP 28 H TRP 28 2.533 -5.978 -0.535 203 HA TRP 28 HA TRP 28 5.234 -6.566 0.457 204 1HB TRP 28 2HB TRP 28 3.243 -6.929 2.120 205 2HB TRP 28 1HB TRP 28 2.942 -8.363 1.146 206 HD1 TRP 28 HD TRP 28 3.562 -9.035 3.989 207 HE1 TRP 28 1HE TRP 28 5.766 -10.116 4.752 208 HE3 TRP 28 3HE TRP 28 6.562 -7.703 0.046 209 HZ2 TRP 28 2HZ TRP 28 8.410 -10.373 3.824 210 HZ3 TRP 28 3HZ TRP 28 8.911 -8.409 0.073 211 HH2 TRP 28 HH TRP 28 9.816 -9.716 1.922 212 H CYS 29 H CYS 29 5.860 -6.907 -1.714 213 HA CYS 29 HA CYS 29 5.128 -9.537 -2.721 214 1HB CYS 29 2HB CYS 29 3.833 -7.359 -3.738 215 2HB CYS 29 1HB CYS 29 5.197 -7.501 -4.849 216 H ASP 30 H ASP 30 7.395 -9.521 -1.708 217 HA ASP 30 HA ASP 30 9.598 -8.261 -2.778 218 1HB ASP 30 2HB ASP 30 9.206 -10.154 -0.854 219 2HB ASP 30 1HB ASP 30 10.056 -11.085 -2.083 220 H ALA 31 H ALA 31 9.485 -8.060 -5.005 221 HA ALA 31 HA ALA 31 9.543 -8.671 -7.219 222 1HB ALA 31 1HB ALA 31 11.802 -8.663 -7.093 223 2HB ALA 31 2HB ALA 31 11.581 -10.368 -7.482 224 3HB ALA 31 3HB ALA 31 11.848 -9.872 -5.811 225 H PHE 32 H PHE 32 10.704 -11.850 -6.277 226 HA PHE 32 HA PHE 32 8.936 -13.183 -8.016 227 1HB PHE 32 2HB PHE 32 11.209 -13.853 -6.545 228 2HB PHE 32 1HB PHE 32 9.944 -14.881 -5.879 229 HD1 PHE 32 1HD PHE 32 8.595 -16.305 -7.488 230 HD2 PHE 32 2HD PHE 32 12.223 -14.366 -8.578 231 HE1 PHE 32 1HE PHE 32 8.835 -17.838 -9.397 232 HE2 PHE 32 2HE PHE 32 12.470 -15.895 -10.490 233 HZ PHE 32 HZ PHE 32 10.774 -17.633 -10.902 234 H CYS 33 H CYS 33 6.887 -12.280 -7.353 235 HA CYS 33 HA CYS 33 5.797 -12.797 -4.776 236 1HB CYS 33 2HB CYS 33 4.379 -12.128 -7.364 237 2HB CYS 33 1HB CYS 33 3.673 -12.048 -5.753 238 H SER 34 H SER 34 4.519 -13.993 -7.876 239 HA SER 34 HA SER 34 3.723 -16.025 -8.515 240 1HB SER 34 2HB SER 34 5.047 -17.186 -6.057 241 2HB SER 34 1HB SER 34 4.599 -18.033 -7.538 242 HG SER 34 HG SER 34 6.484 -15.917 -7.444 243 H SER 35 H SER 35 3.656 -16.148 -4.946 244 HA SER 35 HA SER 35 0.730 -16.214 -5.071 245 1HB SER 35 2HB SER 35 2.496 -18.219 -3.663 246 2HB SER 35 1HB SER 35 0.792 -18.003 -3.259 247 HG SER 35 HG SER 35 0.319 -18.490 -5.465 248 H ARG 36 H ARG 36 1.882 -13.928 -4.460 249 HA ARG 36 HA ARG 36 2.109 -13.770 -1.542 250 1HB ARG 36 2HB ARG 36 3.698 -12.666 -3.422 251 2HB ARG 36 1HB ARG 36 2.552 -11.352 -3.197 252 1HG ARG 36 2HG ARG 36 4.433 -11.006 -1.755 253 2HG ARG 36 1HG ARG 36 3.028 -11.407 -0.769 254 1HD ARG 36 2HD ARG 36 3.987 -13.859 -1.069 255 2HD ARG 36 1HD ARG 36 5.494 -12.975 -1.302 256 HE ARG 36 HE ARG 36 4.543 -11.876 0.951 257 1HH1 ARG 36 1HH1 ARG 36 4.943 -15.208 -0.012 258 2HH1 ARG 36 2HH1 ARG 36 5.199 -15.773 1.604 259 1HH2 ARG 36 1HH2 ARG 36 4.881 -12.618 3.075 260 2HH2 ARG 36 2HH2 ARG 36 5.165 -14.303 3.356 261 H GLY 37 H GLY 37 1.409 -10.847 -1.651 262 1HA GLY 37 2HA GLY 37 -1.371 -10.798 -2.455 263 2HA GLY 37 1HA GLY 37 -1.134 -10.859 -0.716 264 H LYS 38 H LYS 38 -2.243 -8.762 -2.558 265 HA LYS 38 HA LYS 38 -0.389 -6.597 -2.532 266 1HB LYS 38 2HB LYS 38 -3.293 -6.883 -3.163 267 2HB LYS 38 1HB LYS 38 -2.607 -5.280 -2.975 268 1HG LYS 38 2HG LYS 38 -2.727 -6.157 -5.325 269 2HG LYS 38 1HG LYS 38 -1.142 -5.587 -4.801 270 1HD LYS 38 2HD LYS 38 -0.696 -7.597 -5.912 271 2HD LYS 38 1HD LYS 38 -0.667 -8.037 -4.208 272 1HE LYS 38 2HE LYS 38 -2.552 -9.289 -4.363 273 2HE LYS 38 1HE LYS 38 -3.272 -8.249 -5.591 274 1HZ LYS 38 1HZ LYS 38 -1.846 -10.667 -5.921 275 2HZ LYS 38 2HZ LYS 38 -1.057 -9.427 -6.760 276 3HZ LYS 38 3HZ LYS 38 -2.685 -9.761 -7.078 277 H VAL 39 H VAL 39 0.353 -5.941 -0.637 278 HA VAL 39 HA VAL 39 -1.413 -5.670 1.649 279 HB VAL 39 HB VAL 39 1.558 -5.256 1.325 280 1HG1 VAL 39 1HG1 VAL 39 -0.237 -4.375 3.461 281 2HG1 VAL 39 2HG1 VAL 39 1.412 -3.879 3.090 282 3HG1 VAL 39 3HG1 VAL 39 1.122 -5.347 4.023 283 1HG2 VAL 39 1HG2 VAL 39 1.504 -7.187 3.030 284 2HG2 VAL 39 2HG2 VAL 39 1.142 -7.544 1.341 285 3HG2 VAL 39 3HG2 VAL 39 -0.169 -7.398 2.512 286 H VAL 40 H VAL 40 -1.955 -3.778 2.652 287 HA VAL 40 HA VAL 40 -1.337 -1.305 1.171 288 HB VAL 40 HB VAL 40 -3.570 -0.482 2.030 289 1HG1 VAL 40 1HG1 VAL 40 -4.868 -1.851 0.330 290 2HG1 VAL 40 2HG1 VAL 40 -3.378 -2.758 0.073 291 3HG1 VAL 40 3HG1 VAL 40 -3.426 -1.028 -0.263 292 1HG2 VAL 40 1HG2 VAL 40 -3.536 -2.655 3.625 293 2HG2 VAL 40 2HG2 VAL 40 -4.514 -3.266 2.290 294 3HG2 VAL 40 3HG2 VAL 40 -5.012 -1.812 3.156 295 H GLU 41 H GLU 41 -1.551 0.692 2.517 296 HA GLU 41 HA GLU 41 -1.530 0.623 5.326 297 1HB GLU 41 2HB GLU 41 0.920 -0.194 4.139 298 2HB GLU 41 1HB GLU 41 1.181 1.393 4.850 299 1HG GLU 41 2HG GLU 41 0.677 0.651 6.995 300 2HG GLU 41 1HG GLU 41 -0.152 -0.788 6.405 301 H LEU 42 H LEU 42 -0.276 2.242 2.444 302 HA LEU 42 HA LEU 42 -0.304 4.419 1.783 303 1HB LEU 42 2HB LEU 42 -2.586 4.223 3.655 304 2HB LEU 42 1HB LEU 42 -2.009 5.844 3.318 305 HG LEU 42 HG LEU 42 -2.186 4.826 0.798 306 1HD1 LEU 42 1HD1 LEU 42 -3.260 2.848 1.015 307 2HD1 LEU 42 2HD1 LEU 42 -4.677 3.897 1.028 308 3HD1 LEU 42 3HD1 LEU 42 -4.012 3.296 2.546 309 1HD2 LEU 42 1HD2 LEU 42 -4.579 6.038 2.136 310 2HD2 LEU 42 2HD2 LEU 42 -3.959 6.308 0.507 311 3HD2 LEU 42 3HD2 LEU 42 -3.098 6.966 1.898 312 H GLY 43 H GLY 43 0.031 6.740 2.626 313 1HA GLY 43 2HA GLY 43 1.216 6.955 5.252 314 2HA GLY 43 1HA GLY 43 2.383 7.013 3.936 315 H CYS 44 H CYS 44 1.628 8.588 2.099 316 HA CYS 44 HA CYS 44 1.218 10.732 1.448 317 1HB CYS 44 2HB CYS 44 -1.054 10.195 2.474 318 2HB CYS 44 1HB CYS 44 -0.495 11.057 3.908 319 H ALA 45 H ALA 45 2.836 12.153 1.558 320 HA ALA 45 HA ALA 45 3.304 13.639 3.972 321 1HB ALA 45 1HB ALA 45 4.857 11.256 3.531 322 2HB ALA 45 2HB ALA 45 4.821 12.333 4.926 323 3HB ALA 45 3HB ALA 45 5.891 12.684 3.569 324 H ALA 46 H ALA 46 5.767 14.668 3.583 325 HA ALA 46 HA ALA 46 5.783 15.689 0.825 326 1HB ALA 46 1HB ALA 46 5.633 17.862 1.431 327 2HB ALA 46 2HB ALA 46 6.483 17.608 2.956 328 3HB ALA 46 3HB ALA 46 4.778 17.178 2.814 329 H THR 47 H THR 47 7.449 13.670 2.027 330 HA THR 47 HA THR 47 9.991 14.614 1.217 331 HB THR 47 HB THR 47 9.390 14.523 4.155 332 HG1 THR 47 1HG THR 47 11.033 16.257 2.636 333 1HG2 THR 47 1HG2 THR 47 11.882 14.669 4.532 334 2HG2 THR 47 2HG2 THR 47 12.070 14.006 2.907 335 3HG2 THR 47 3HG2 THR 47 11.238 13.072 4.151 336 H CYS 48 H CYS 48 10.061 12.755 -0.011 337 HA CYS 48 HA CYS 48 10.716 10.323 1.451 338 1HB CYS 48 2HB CYS 48 8.183 10.496 0.752 339 2HB CYS 48 1HB CYS 48 8.816 9.999 -0.817 340 HA PRO 49 HA PRO 49 13.035 10.982 -2.611 341 1HB PRO 49 2HB PRO 49 15.265 12.217 -1.802 342 2HB PRO 49 1HB PRO 49 13.792 13.134 -2.145 343 1HG PRO 49 2HG PRO 49 14.903 12.254 0.495 344 2HG PRO 49 1HG PRO 49 14.216 13.825 0.041 345 1HD PRO 49 2HD PRO 49 12.822 11.878 1.377 346 2HD PRO 49 1HD PRO 49 12.063 13.105 0.344 347 H SER 50 H SER 50 13.415 9.611 0.429 348 HA SER 50 HA SER 50 15.946 8.390 0.253 349 1HB SER 50 2HB SER 50 14.433 8.682 2.305 350 2HB SER 50 1HB SER 50 13.577 7.251 1.733 351 HG SER 50 HG SER 50 16.378 7.311 2.159 352 H LYS 51 H LYS 51 16.300 6.024 0.113 353 HA LYS 51 HA LYS 51 14.595 4.161 -0.971 354 1HB LYS 51 2HB LYS 51 15.419 4.155 -3.385 355 2HB LYS 51 1HB LYS 51 14.250 5.394 -2.952 356 1HG LYS 51 2HG LYS 51 16.345 6.869 -2.544 357 2HG LYS 51 1HG LYS 51 17.160 5.667 -3.547 358 1HD LYS 51 2HD LYS 51 14.597 6.927 -4.452 359 2HD LYS 51 1HD LYS 51 16.136 7.761 -4.675 360 1HE LYS 51 2HE LYS 51 16.138 4.949 -5.510 361 2HE LYS 51 1HE LYS 51 15.048 5.983 -6.432 362 1HZ LYS 51 1HZ LYS 51 17.950 5.965 -6.340 363 2HZ LYS 51 2HZ LYS 51 17.232 7.496 -6.380 364 3HZ LYS 51 3HZ LYS 51 16.908 6.379 -7.607 365 H LYS 52 H LYS 52 15.859 2.427 -2.273 366 HA LYS 52 HA LYS 52 17.987 1.419 -2.752 367 1HB LYS 52 2HB LYS 52 18.795 2.602 -0.093 368 2HB LYS 52 1HB LYS 52 19.739 1.404 -0.959 369 1HG LYS 52 2HG LYS 52 20.487 2.881 -2.481 370 2HG LYS 52 1HG LYS 52 18.972 3.787 -2.508 371 1HD LYS 52 2HD LYS 52 20.155 5.343 -1.396 372 2HD LYS 52 1HD LYS 52 19.849 4.313 0.004 373 1HE LYS 52 2HE LYS 52 22.253 3.961 -1.767 374 2HE LYS 52 1HE LYS 52 22.255 5.051 -0.381 375 1HZ LYS 52 1HZ LYS 52 22.944 3.224 0.698 376 2HZ LYS 52 2HZ LYS 52 22.331 2.155 -0.460 377 3HZ LYS 52 3HZ LYS 52 21.304 2.807 0.716 378 HA PRO 53 HA PRO 53 17.087 -1.337 1.174 379 1HB PRO 53 2HB PRO 53 14.578 -0.113 2.139 380 2HB PRO 53 1HB PRO 53 15.966 -0.700 3.057 381 1HG PRO 53 2HG PRO 53 15.470 1.919 2.798 382 2HG PRO 53 1HG PRO 53 17.126 1.285 2.829 383 1HD PRO 53 2HD PRO 53 15.481 2.180 0.494 384 2HD PRO 53 1HD PRO 53 17.206 2.436 0.823 385 H TYR 54 H TYR 54 16.054 -3.216 0.748 386 HA TYR 54 HA TYR 54 14.313 -3.364 -1.504 387 1HB TYR 54 2HB TYR 54 14.088 -5.775 -0.026 388 2HB TYR 54 1HB TYR 54 15.098 -5.465 -1.439 389 HD1 TYR 54 1HD TYR 54 15.012 -5.602 2.218 390 HD2 TYR 54 2HD TYR 54 17.441 -5.000 -1.213 391 HE1 TYR 54 1HE TYR 54 17.010 -5.738 3.623 392 HE2 TYR 54 2HE TYR 54 19.454 -5.144 0.171 393 HH TYR 54 HH TYR 54 19.983 -6.334 2.542 394 H GLU 55 H GLU 55 12.723 -1.766 -0.645 395 HA GLU 55 HA GLU 55 10.735 -3.063 1.101 396 1HB GLU 55 2HB GLU 55 9.920 -0.501 1.117 397 2HB GLU 55 1HB GLU 55 11.065 -1.154 2.278 398 1HG GLU 55 2HG GLU 55 12.911 -0.228 1.109 399 2HG GLU 55 1HG GLU 55 11.902 0.194 -0.274 400 H GLU 56 H GLU 56 8.503 -1.713 0.625 401 HA GLU 56 HA GLU 56 8.022 -2.068 -2.259 402 1HB GLU 56 2HB GLU 56 7.026 -3.719 -0.468 403 2HB GLU 56 1HB GLU 56 5.839 -2.438 -0.257 404 1HG GLU 56 2HG GLU 56 5.128 -4.188 -1.844 405 2HG GLU 56 1HG GLU 56 5.189 -2.579 -2.561 406 H VAL 57 H VAL 57 7.679 0.001 0.484 407 HA VAL 57 HA VAL 57 5.543 1.616 -0.115 408 HB VAL 57 HB VAL 57 8.244 2.599 0.839 409 1HG1 VAL 57 1HG1 VAL 57 7.337 4.626 0.831 410 2HG1 VAL 57 2HG1 VAL 57 6.156 4.068 2.015 411 3HG1 VAL 57 3HG1 VAL 57 5.790 3.976 0.294 412 1HG2 VAL 57 1HG2 VAL 57 5.897 1.834 2.557 413 2HG2 VAL 57 2HG2 VAL 57 7.546 2.203 3.062 414 3HG2 VAL 57 3HG2 VAL 57 7.207 0.720 2.171 415 H THR 58 H THR 58 8.868 2.378 -1.047 416 HA THR 58 HA THR 58 9.771 3.493 -2.811 417 HB THR 58 HB THR 58 9.018 2.948 -4.960 418 HG1 THR 58 1HG THR 58 6.432 2.408 -3.945 419 1HG2 THR 58 1HG2 THR 58 9.005 0.912 -3.048 420 2HG2 THR 58 2HG2 THR 58 9.203 0.755 -4.793 421 3HG2 THR 58 3HG2 THR 58 7.598 0.626 -4.073 422 H CYS 59 H CYS 59 7.313 4.655 -1.152 423 HA CYS 59 HA CYS 59 6.250 6.642 -0.965 424 1HB CYS 59 2HB CYS 59 8.218 7.785 -2.942 425 2HB CYS 59 1HB CYS 59 7.471 8.570 -1.549 426 H CYS 60 H CYS 60 4.716 8.004 -1.958 427 HA CYS 60 HA CYS 60 4.051 7.268 -4.735 428 1HB CYS 60 2HB CYS 60 2.556 6.763 -2.421 429 2HB CYS 60 1HB CYS 60 1.758 8.137 -3.180 430 H SER 61 H SER 61 3.507 8.887 -6.126 431 HA SER 61 HA SER 61 2.579 11.428 -5.410 432 1HB SER 61 2HB SER 61 4.489 12.841 -5.631 433 2HB SER 61 1HB SER 61 4.939 11.570 -4.489 434 HG SER 61 HG SER 61 6.584 11.830 -5.992 435 H THR 62 H THR 62 1.228 10.984 -7.128 436 HA THR 62 HA THR 62 1.643 12.141 -9.539 437 HB THR 62 HB THR 62 3.394 10.738 -10.233 438 HG1 THR 62 1HG THR 62 1.116 9.403 -11.251 439 1HG2 THR 62 1HG2 THR 62 3.690 8.930 -8.927 440 2HG2 THR 62 2HG2 THR 62 2.808 8.132 -10.229 441 3HG2 THR 62 3HG2 THR 62 1.961 8.626 -8.764 442 H ASP 63 H ASP 63 -0.542 12.396 -8.572 443 HA ASP 63 HA ASP 63 -2.795 12.098 -8.690 444 1HB ASP 63 2HB ASP 63 -1.773 10.668 -11.058 445 2HB ASP 63 1HB ASP 63 -3.372 10.159 -10.522 446 H LYS 64 H LYS 64 -4.524 10.180 -8.660 447 HA LYS 64 HA LYS 64 -4.150 8.798 -6.298 448 1HB LYS 64 2HB LYS 64 -6.189 7.704 -6.715 449 2HB LYS 64 1HB LYS 64 -6.330 9.256 -7.530 450 1HG LYS 64 2HG LYS 64 -5.958 6.533 -8.736 451 2HG LYS 64 1HG LYS 64 -7.262 7.687 -8.993 452 1HD LYS 64 2HD LYS 64 -4.422 8.273 -9.793 453 2HD LYS 64 1HD LYS 64 -5.553 7.444 -10.861 454 1HE LYS 64 2HE LYS 64 -6.238 10.075 -9.593 455 2HE LYS 64 1HE LYS 64 -5.318 9.988 -11.094 456 1HZ LYS 64 1HZ LYS 64 -8.020 8.839 -10.651 457 2HZ LYS 64 2HZ LYS 64 -7.141 8.752 -12.092 458 3HZ LYS 64 3HZ LYS 64 -7.677 10.250 -11.519 459 H CYS 65 H CYS 65 -2.193 7.759 -6.218 460 HA CYS 65 HA CYS 65 -1.735 5.552 -8.094 461 1HB CYS 65 2HB CYS 65 0.552 5.505 -7.030 462 2HB CYS 65 1HB CYS 65 0.164 6.972 -7.918 463 H ASN 66 H ASN 66 -2.922 6.095 -4.973 464 HA ASN 66 HA ASN 66 -1.901 4.020 -3.481 465 1HB ASN 66 2HB ASN 66 -3.495 5.795 -2.688 466 2HB ASN 66 1HB ASN 66 -4.797 4.879 -3.441 467 1HD2 ASN 66 1HD2 ASN 66 -5.903 3.766 -2.021 468 2HD2 ASN 66 2HD2 ASN 66 -5.270 2.965 -0.629 469 HA PRO 67 HA PRO 67 -3.331 0.474 -5.788 470 1HB PRO 67 2HB PRO 67 -2.411 -1.442 -4.129 471 2HB PRO 67 1HB PRO 67 -1.333 -0.494 -5.162 472 1HG PRO 67 2HG PRO 67 -1.958 -0.146 -2.252 473 2HG PRO 67 1HG PRO 67 -0.387 -0.077 -3.074 474 1HD PRO 67 2HD PRO 67 -1.789 2.144 -2.376 475 2HD PRO 67 1HD PRO 67 -0.715 2.084 -3.788 476 H HIS 68 H HIS 68 -5.415 -0.061 -5.820 477 HA HIS 68 HA HIS 68 -7.067 -0.084 -3.497 478 1HB HIS 68 2HB HIS 68 -7.937 -1.490 -5.985 479 2HB HIS 68 1HB HIS 68 -8.845 -0.416 -4.929 480 HD1 HIS 68 1HD HIS 68 -6.895 -0.479 -8.041 481 HD2 HIS 68 2HD HIS 68 -8.342 2.382 -5.397 482 HE1 HIS 68 1HE HIS 68 -6.746 1.709 -9.271 483 HE2 HIS 68 2HE HIS 68 -7.553 3.437 -7.623 484 HA PRO 69 HA PRO 69 -7.274 -4.211 -1.907 485 1HB PRO 69 2HB PRO 69 -9.545 -4.857 -3.758 486 2HB PRO 69 1HB PRO 69 -9.357 -5.241 -2.040 487 1HG PRO 69 2HG PRO 69 -10.881 -3.205 -2.760 488 2HG PRO 69 1HG PRO 69 -9.790 -3.049 -1.370 489 1HD PRO 69 2HD PRO 69 -9.540 -1.917 -4.113 490 2HD PRO 69 1HD PRO 69 -9.005 -1.242 -2.560 491 H LYS 70 H LYS 70 -6.373 -6.212 -2.329 492 HA LYS 70 HA LYS 70 -4.709 -6.541 -4.460 493 1HB LYS 70 2HB LYS 70 -4.236 -8.633 -3.647 494 2HB LYS 70 1HB LYS 70 -5.007 -7.914 -2.245 495 1HG LYS 70 2HG LYS 70 -6.393 -9.694 -4.234 496 2HG LYS 70 1HG LYS 70 -5.709 -10.231 -2.699 497 1HD LYS 70 2HD LYS 70 -7.514 -9.556 -1.581 498 2HD LYS 70 1HD LYS 70 -7.424 -7.948 -2.301 499 1HE LYS 70 2HE LYS 70 -9.085 -8.392 -3.720 500 2HE LYS 70 1HE LYS 70 -8.369 -9.934 -4.190 501 1HZ LYS 70 1HZ LYS 70 -10.111 -9.416 -1.842 502 2HZ LYS 70 2HZ LYS 70 -9.304 -10.878 -2.112 503 3HZ LYS 70 3HZ LYS 70 -10.484 -10.348 -3.204 504 H GLN 71 H GLN 71 -4.789 -7.274 -6.494 505 HA GLN 71 HA GLN 71 -7.386 -8.238 -7.501 506 1HB GLN 71 2HB GLN 71 -5.520 -6.184 -8.651 507 2HB GLN 71 1HB GLN 71 -6.664 -7.047 -9.670 508 1HG GLN 71 2HG GLN 71 -8.163 -6.141 -7.506 509 2HG GLN 71 1HG GLN 71 -7.087 -4.805 -7.915 510 1HE2 GLN 71 1HE2 GLN 71 -6.993 -4.271 -10.273 511 2HE2 GLN 71 2HE2 GLN 71 -8.480 -4.312 -11.153 512 H ARG 72 H ARG 72 -4.205 -7.780 -9.015 513 HA ARG 72 HA ARG 72 -4.181 -9.896 -10.702 514 1HB ARG 72 2HB ARG 72 -1.605 -9.976 -10.144 515 2HB ARG 72 1HB ARG 72 -2.313 -8.596 -10.969 516 1HG ARG 72 2HG ARG 72 -2.480 -8.153 -8.158 517 2HG ARG 72 1HG ARG 72 -0.836 -8.645 -8.562 518 1HD ARG 72 2HD ARG 72 -1.384 -6.148 -8.649 519 2HD ARG 72 1HD ARG 72 -0.527 -6.848 -10.020 520 HE ARG 72 HE ARG 72 -3.295 -6.927 -10.513 521 1HH1 ARG 72 1HH1 ARG 72 -0.672 -4.641 -10.274 522 2HH1 ARG 72 2HH1 ARG 72 -1.396 -3.505 -11.362 523 1HH2 ARG 72 1HH2 ARG 72 -4.252 -5.436 -11.944 524 2HH2 ARG 72 2HH2 ARG 72 -3.430 -3.957 -12.311 525 HA PRO 73 HA PRO 73 -4.270 -13.817 -8.733 526 1HB PRO 73 2HB PRO 73 -1.746 -14.392 -10.224 527 2HB PRO 73 1HB PRO 73 -3.231 -15.344 -10.117 528 1HG PRO 73 2HG PRO 73 -2.701 -13.916 -12.296 529 2HG PRO 73 1HG PRO 73 -4.351 -14.016 -11.655 530 1HD PRO 73 2HD PRO 73 -2.397 -11.771 -11.518 531 2HD PRO 73 1HD PRO 73 -4.167 -11.723 -11.636 532 H GLY 74 H GLY 74 -3.090 -15.217 -7.271 533 1HA GLY 74 2HA GLY 74 -0.489 -14.621 -6.327 534 2HA GLY 74 1HA GLY 74 -1.685 -13.851 -5.289 535 1H TYR 181 1HT TYR 181 -3.467 -17.282 23.044 536 2H TYR 181 2HT TYR 181 -2.327 -18.535 22.774 537 3H TYR 181 3HT TYR 181 -2.658 -18.004 24.372 538 HA TYR 181 HA TYR 181 -3.685 -20.135 23.695 539 1HB TYR 181 2HB TYR 181 -4.418 -18.269 25.453 540 2HB TYR 181 1HB TYR 181 -5.822 -18.173 24.396 541 HD1 TYR 181 1HD TYR 181 -3.774 -21.082 25.533 542 HD2 TYR 181 2HD TYR 181 -7.592 -19.207 25.470 543 HE1 TYR 181 1HE TYR 181 -4.747 -23.039 26.660 544 HE2 TYR 181 2HE TYR 181 -8.576 -21.158 26.598 545 HH TYR 181 HH TYR 181 -7.561 -23.946 26.671 546 H ARG 182 H ARG 182 -3.391 -19.852 21.207 547 HA ARG 182 HA ARG 182 -4.308 -20.028 19.133 548 1HB ARG 182 2HB ARG 182 -6.921 -20.372 20.613 549 2HB ARG 182 1HB ARG 182 -6.579 -20.865 18.960 550 1HG ARG 182 2HG ARG 182 -5.260 -21.986 21.425 551 2HG ARG 182 1HG ARG 182 -6.558 -22.755 20.509 552 1HD ARG 182 2HD ARG 182 -5.167 -23.025 18.603 553 2HD ARG 182 1HD ARG 182 -3.920 -21.982 19.286 554 HE ARG 182 HE ARG 182 -3.126 -23.767 20.481 555 1HH1 ARG 182 1HH1 ARG 182 -6.303 -24.543 19.264 556 2HH1 ARG 182 2HH1 ARG 182 -6.217 -26.205 19.744 557 1HH2 ARG 182 1HH2 ARG 182 -3.011 -25.952 21.111 558 2HH2 ARG 182 2HH2 ARG 182 -4.349 -27.005 20.792 559 H GLY 183 H GLY 183 -3.746 -17.685 19.042 560 1HA GLY 183 2HA GLY 183 -6.179 -16.145 18.432 561 2HA GLY 183 1HA GLY 183 -4.929 -15.429 19.436 562 H TRP 184 H TRP 184 -4.525 -13.750 17.998 563 HA TRP 184 HA TRP 184 -2.658 -14.376 15.915 564 1HB TRP 184 2HB TRP 184 -4.032 -13.065 14.179 565 2HB TRP 184 1HB TRP 184 -4.504 -14.728 14.506 566 HD1 TRP 184 HD TRP 184 -5.558 -11.157 15.597 567 HE1 TRP 184 1HE TRP 184 -8.097 -11.175 16.015 568 HE3 TRP 184 3HE TRP 184 -6.475 -16.124 14.811 569 HZ2 TRP 184 2HZ TRP 184 -10.210 -13.047 16.013 570 HZ3 TRP 184 3HZ TRP 184 -8.782 -16.947 15.040 571 HH2 TRP 184 HH TRP 184 -10.610 -15.440 15.628 572 H LYS 185 H LYS 185 -1.191 -12.800 15.814 573 HA LYS 185 HA LYS 185 -1.899 -10.187 16.974 574 1HB LYS 185 2HB LYS 185 -0.208 -11.326 18.278 575 2HB LYS 185 1HB LYS 185 0.769 -11.600 16.843 576 1HG LYS 185 2HG LYS 185 1.818 -9.685 17.182 577 2HG LYS 185 1HG LYS 185 0.289 -8.814 17.038 578 1HD LYS 185 2HD LYS 185 1.014 -8.193 19.148 579 2HD LYS 185 1HD LYS 185 -0.064 -9.542 19.505 580 1HE LYS 185 2HE LYS 185 1.740 -11.019 19.860 581 2HE LYS 185 1HE LYS 185 2.893 -9.911 19.119 582 1HZ LYS 185 1HZ LYS 185 2.156 -8.368 21.055 583 2HZ LYS 185 2HZ LYS 185 3.294 -9.588 21.337 584 3HZ LYS 185 3HZ LYS 185 1.681 -9.815 21.792 585 H HIS 186 H HIS 186 0.785 -11.250 14.892 586 HA HIS 186 HA HIS 186 0.283 -8.930 13.183 587 1HB HIS 186 2HB HIS 186 2.597 -9.680 14.230 588 2HB HIS 186 1HB HIS 186 2.647 -10.711 12.800 589 HD1 HIS 186 1HD HIS 186 0.932 -7.964 11.546 590 HD2 HIS 186 2HD HIS 186 4.883 -8.528 12.703 591 HE1 HIS 186 1HE HIS 186 2.238 -6.163 10.375 592 HE2 HIS 186 2HE HIS 186 4.637 -6.577 11.023 593 H TRP 187 H TRP 187 -1.681 -10.375 12.541 594 HA TRP 187 HA TRP 187 -1.347 -12.599 10.871 595 1HB TRP 187 2HB TRP 187 -3.493 -11.300 11.916 596 2HB TRP 187 1HB TRP 187 -3.600 -10.794 10.233 597 HD1 TRP 187 HD TRP 187 -5.445 -12.251 9.210 598 HE1 TRP 187 1HE TRP 187 -5.959 -14.772 9.118 599 HE3 TRP 187 3HE TRP 187 -1.779 -13.941 12.347 600 HZ2 TRP 187 2HZ TRP 187 -4.942 -17.160 10.229 601 HZ3 TRP 187 3HZ TRP 187 -1.619 -16.357 12.778 602 HH2 TRP 187 HH TRP 187 -3.167 -17.932 11.741 603 H VAL 188 H VAL 188 -2.776 -11.872 8.508 604 HA VAL 188 HA VAL 188 -0.590 -10.871 6.942 605 HB VAL 188 HB VAL 188 -1.876 -12.697 6.071 606 1HG1 VAL 188 1HG1 VAL 188 -4.025 -12.881 6.581 607 2HG1 VAL 188 2HG1 VAL 188 -4.380 -11.607 5.416 608 3HG1 VAL 188 3HG1 VAL 188 -4.088 -11.199 7.106 609 1HG2 VAL 188 1HG2 VAL 188 -3.022 -11.036 4.107 610 2HG2 VAL 188 2HG2 VAL 188 -1.472 -11.873 4.057 611 3HG2 VAL 188 3HG2 VAL 188 -1.564 -10.225 4.676 612 H TYR 189 H TYR 189 -0.335 -8.855 6.182 613 HA TYR 189 HA TYR 189 -2.350 -6.860 6.879 614 1HB TYR 189 2HB TYR 189 0.458 -6.889 6.947 615 2HB TYR 189 1HB TYR 189 0.030 -5.765 5.657 616 HD1 TYR 189 1HD TYR 189 1.193 -5.510 8.678 617 HD2 TYR 189 2HD TYR 189 -2.480 -4.614 6.727 618 HE1 TYR 189 1HE TYR 189 0.734 -3.771 10.355 619 HE2 TYR 189 2HE TYR 189 -2.949 -2.872 8.397 620 HH TYR 189 HH TYR 189 -0.763 -1.527 10.320 621 H TYR 190 H TYR 190 -2.799 -8.657 4.620 622 HA TYR 190 HA TYR 190 -2.420 -6.999 2.272 623 1HB TYR 190 2HB TYR 190 -2.995 -8.844 1.001 624 2HB TYR 190 1HB TYR 190 -2.311 -9.613 2.431 625 HD1 TYR 190 1HD TYR 190 -4.472 -10.491 0.225 626 HD2 TYR 190 2HD TYR 190 -4.643 -9.293 4.305 627 HE1 TYR 190 1HE TYR 190 -6.549 -11.777 0.511 628 HE2 TYR 190 2HE TYR 190 -6.719 -10.577 4.602 629 HH TYR 190 HH TYR 190 -7.816 -12.848 2.350 630 H THR 191 H THR 191 -4.165 -6.259 0.922 631 HA THR 191 HA THR 191 -6.106 -4.771 2.113 632 HB THR 191 HB THR 191 -7.281 -4.724 -0.005 633 HG1 THR 191 1HG THR 191 -7.298 -6.952 -0.443 634 1HG2 THR 191 1HG2 THR 191 -5.603 -3.470 -0.718 635 2HG2 THR 191 2HG2 THR 191 -4.945 -4.919 -1.481 636 3HG2 THR 191 3HG2 THR 191 -4.415 -4.453 0.136 637 H CYS 192 H CYS 192 -8.506 -5.024 2.197 638 HA CYS 192 HA CYS 192 -9.129 -7.610 3.372 639 1HB CYS 192 2HB CYS 192 -10.477 -6.467 4.733 640 2HB CYS 192 1HB CYS 192 -9.903 -4.996 3.976 641 H CYS 193 H CYS 193 -10.902 -5.430 1.257 642 HA CYS 193 HA CYS 193 -11.686 -7.612 -0.472 643 1HB CYS 193 2HB CYS 193 -14.051 -6.356 0.696 644 2HB CYS 193 1HB CYS 193 -13.678 -8.063 0.489 645 HA PRO 194 HA PRO 194 -12.546 -4.091 -3.085 646 1HB PRO 194 2HB PRO 194 -13.305 -5.390 -5.265 647 2HB PRO 194 1HB PRO 194 -11.684 -5.638 -4.603 648 1HG PRO 194 2HG PRO 194 -14.060 -7.420 -4.501 649 2HG PRO 194 1HG PRO 194 -12.340 -7.839 -4.540 650 1HD PRO 194 2HD PRO 194 -14.047 -7.670 -2.251 651 2HD PRO 194 1HD PRO 194 -12.302 -7.999 -2.281 652 H ASP 195 H ASP 195 -14.189 -2.696 -3.469 653 HA ASP 195 HA ASP 195 -16.273 -1.829 -3.732 654 1HB ASP 195 2HB ASP 195 -17.253 -4.643 -4.222 655 2HB ASP 195 1HB ASP 195 -17.994 -3.134 -4.758 656 H THR 196 H THR 196 -17.636 -1.122 -2.244 657 HA THR 196 HA THR 196 -18.982 -2.863 -0.379 658 HB THR 196 HB THR 196 -16.948 -0.884 0.694 659 HG1 THR 196 1HG THR 196 -15.870 -2.690 0.012 660 1HG2 THR 196 1HG2 THR 196 -17.511 -2.344 2.809 661 2HG2 THR 196 2HG2 THR 196 -19.058 -2.520 1.983 662 3HG2 THR 196 3HG2 THR 196 -18.456 -0.914 2.393 663 HA PRO 197 HA PRO 197 -20.877 1.401 -1.161 664 1HB PRO 197 2HB PRO 197 -22.579 0.848 -3.167 665 2HB PRO 197 1HB PRO 197 -20.907 1.321 -3.498 666 1HG PRO 197 2HG PRO 197 -22.135 -1.411 -3.476 667 2HG PRO 197 1HG PRO 197 -20.988 -0.709 -4.633 668 1HD PRO 197 2HD PRO 197 -20.254 -2.389 -2.601 669 2HD PRO 197 1HD PRO 197 -19.181 -1.161 -3.300 670 H TYR 198 H TYR 198 -21.262 -1.471 -0.007 671 HA TYR 198 HA TYR 198 -24.068 -1.853 0.251 672 1HB TYR 198 2HB TYR 198 -22.314 -3.649 0.170 673 2HB TYR 198 1HB TYR 198 -21.754 -3.108 1.753 674 HD1 TYR 198 1HD TYR 198 -22.865 -3.790 3.739 675 HD2 TYR 198 2HD TYR 198 -24.632 -4.601 -0.046 676 HE1 TYR 198 1HE TYR 198 -24.510 -5.260 4.826 677 HE2 TYR 198 2HE TYR 198 -26.282 -6.071 1.031 678 HH TYR 198 HH TYR 198 -26.596 -7.331 3.035 Start of MODEL 20 1 1H ILE 1 1HT ILE 1 -5.978 15.941 -8.121 2 2H ILE 1 2HT ILE 1 -7.309 14.860 -8.073 3 3H ILE 1 3HT ILE 1 -6.533 15.203 -9.564 4 HA ILE 1 HA ILE 1 -5.660 13.213 -9.080 5 HB ILE 1 HB ILE 1 -3.810 15.104 -7.619 6 1HG1 ILE 1 2HG1 ILE 1 -4.081 16.121 -9.708 7 2HG1 ILE 1 1HG1 ILE 1 -2.664 15.105 -9.939 8 1HG2 ILE 1 1HG2 ILE 1 -3.122 12.884 -7.224 9 2HG2 ILE 1 2HG2 ILE 1 -2.070 13.514 -8.492 10 3HG2 ILE 1 3HG2 ILE 1 -3.391 12.424 -8.904 11 1HD1 ILE 1 1HD1 ILE 1 -5.342 14.928 -11.148 12 2HD1 ILE 1 2HD1 ILE 1 -4.573 13.397 -10.728 13 3HD1 ILE 1 3HD1 ILE 1 -3.760 14.525 -11.813 14 H VAL 2 H VAL 2 -4.948 14.930 -6.041 15 HA VAL 2 HA VAL 2 -4.873 14.192 -3.888 16 HB VAL 2 HB VAL 2 -7.215 12.870 -3.434 17 1HG1 VAL 2 1HG1 VAL 2 -7.974 14.881 -2.531 18 2HG1 VAL 2 2HG1 VAL 2 -7.153 15.847 -3.757 19 3HG1 VAL 2 3HG1 VAL 2 -6.217 15.038 -2.499 20 1HG2 VAL 2 1HG2 VAL 2 -8.921 14.047 -4.818 21 2HG2 VAL 2 2HG2 VAL 2 -7.953 12.878 -5.713 22 3HG2 VAL 2 3HG2 VAL 2 -7.616 14.601 -5.865 23 H CYS 3 H CYS 3 -5.791 12.065 -2.469 24 HA CYS 3 HA CYS 3 -4.886 9.609 -3.791 25 1HB CYS 3 2HB CYS 3 -3.004 11.051 -2.533 26 2HB CYS 3 1HB CYS 3 -3.654 10.199 -1.135 27 H HIS 4 H HIS 4 -6.200 7.962 -3.185 28 HA HIS 4 HA HIS 4 -8.413 8.050 -1.668 29 1HB HIS 4 2HB HIS 4 -6.577 5.847 -2.384 30 2HB HIS 4 1HB HIS 4 -7.741 5.509 -1.099 31 HD1 HIS 4 1HD HIS 4 -10.146 5.135 -1.781 32 HD2 HIS 4 2HD HIS 4 -7.771 6.487 -4.912 33 HE1 HIS 4 1HE HIS 4 -11.569 4.924 -3.844 34 HE2 HIS 4 2HE HIS 4 -10.084 5.676 -5.736 35 H THR 5 H THR 5 -9.008 7.075 0.479 36 HA THR 5 HA THR 5 -6.855 7.437 2.457 37 HB THR 5 HB THR 5 -7.711 9.465 2.918 38 HG1 THR 5 1HG THR 5 -9.884 8.019 4.005 39 1HG2 THR 5 1HG2 THR 5 -10.443 9.590 2.507 40 2HG2 THR 5 2HG2 THR 5 -9.838 8.648 1.149 41 3HG2 THR 5 3HG2 THR 5 -9.183 10.251 1.467 42 H THR 6 H THR 6 -7.428 6.692 4.632 43 HA THR 6 HA THR 6 -8.107 5.130 6.113 44 HB THR 6 HB THR 6 -10.329 4.360 6.145 45 HG1 THR 6 1HG THR 6 -10.761 3.461 4.257 46 1HG2 THR 6 1HG2 THR 6 -11.331 6.313 6.363 47 2HG2 THR 6 2HG2 THR 6 -11.197 6.659 4.640 48 3HG2 THR 6 3HG2 THR 6 -9.862 7.047 5.724 49 H ALA 7 H ALA 7 -8.550 4.110 2.743 50 HA ALA 7 HA ALA 7 -7.681 2.287 1.651 51 1HB ALA 7 1HB ALA 7 -5.868 1.194 2.478 52 2HB ALA 7 2HB ALA 7 -6.567 1.013 4.084 53 3HB ALA 7 3HB ALA 7 -5.871 2.557 3.593 54 H THR 8 H THR 8 -7.735 -0.297 1.972 55 HA THR 8 HA THR 8 -9.119 -2.108 2.059 56 HB THR 8 HB THR 8 -10.162 -0.893 4.623 57 HG1 THR 8 1HG THR 8 -8.407 -1.827 5.636 58 1HG2 THR 8 1HG2 THR 8 -9.687 -3.623 4.922 59 2HG2 THR 8 2HG2 THR 8 -10.506 -3.449 3.370 60 3HG2 THR 8 3HG2 THR 8 -11.246 -2.805 4.835 61 H SER 9 H SER 9 -10.074 0.557 0.951 62 HA SER 9 HA SER 9 -12.473 -0.148 -0.123 63 1HB SER 9 2HB SER 9 -13.646 -0.231 1.915 64 2HB SER 9 1HB SER 9 -12.825 1.196 2.549 65 HG SER 9 HG SER 9 -14.984 1.627 1.874 66 HA PRO 10 HA PRO 10 -11.498 3.723 -2.097 67 1HB PRO 10 2HB PRO 10 -13.426 3.795 -3.923 68 2HB PRO 10 1HB PRO 10 -12.216 2.501 -3.959 69 1HG PRO 10 2HG PRO 10 -15.004 2.446 -2.839 70 2HG PRO 10 1HG PRO 10 -14.212 1.268 -3.903 71 1HD PRO 10 2HD PRO 10 -14.391 0.967 -1.196 72 2HD PRO 10 1HD PRO 10 -13.072 0.287 -2.169 73 H ILE 11 H ILE 11 -14.509 3.112 -0.531 74 HA ILE 11 HA ILE 11 -16.118 5.216 -0.819 75 HB ILE 11 HB ILE 11 -16.399 3.344 0.804 76 1HG1 ILE 11 2HG1 ILE 11 -16.964 6.111 1.886 77 2HG1 ILE 11 1HG1 ILE 11 -17.947 5.269 0.692 78 1HG2 ILE 11 1HG2 ILE 11 -15.511 3.410 2.969 79 2HG2 ILE 11 2HG2 ILE 11 -14.994 5.087 2.799 80 3HG2 ILE 11 3HG2 ILE 11 -14.154 3.811 1.916 81 1HD1 ILE 11 1HD1 ILE 11 -17.911 5.031 3.578 82 2HD1 ILE 11 2HD1 ILE 11 -17.793 3.469 2.765 83 3HD1 ILE 11 3HD1 ILE 11 -19.144 4.547 2.414 84 H SER 12 H SER 12 -12.935 5.475 0.669 85 HA SER 12 HA SER 12 -13.490 8.036 1.845 86 1HB SER 12 2HB SER 12 -10.721 7.030 1.372 87 2HB SER 12 1HB SER 12 -11.380 7.892 2.763 88 HG SER 12 HG SER 12 -12.640 5.901 3.115 89 H ALA 13 H ALA 13 -13.313 7.242 -1.265 90 HA ALA 13 HA ALA 13 -12.832 8.311 -3.201 91 1HB ALA 13 1HB ALA 13 -12.912 10.790 -3.131 92 2HB ALA 13 2HB ALA 13 -12.936 10.705 -1.370 93 3HB ALA 13 3HB ALA 13 -14.266 10.021 -2.304 94 H VAL 14 H VAL 14 -11.109 11.011 -2.260 95 HA VAL 14 HA VAL 14 -8.520 9.817 -1.987 96 HB VAL 14 HB VAL 14 -7.692 11.042 -4.069 97 1HG1 VAL 14 1HG1 VAL 14 -7.779 9.082 -5.231 98 2HG1 VAL 14 2HG1 VAL 14 -9.498 8.845 -4.914 99 3HG1 VAL 14 3HG1 VAL 14 -8.313 8.490 -3.659 100 1HG2 VAL 14 1HG2 VAL 14 -10.618 10.860 -4.787 101 2HG2 VAL 14 2HG2 VAL 14 -9.314 11.453 -5.815 102 3HG2 VAL 14 3HG2 VAL 14 -9.777 12.352 -4.370 103 H THR 15 H THR 15 -7.374 11.123 -0.715 104 HA THR 15 HA THR 15 -6.976 13.841 -1.062 105 HB THR 15 HB THR 15 -9.167 14.406 -0.493 106 HG1 THR 15 1HG THR 15 -7.473 15.348 0.920 107 1HG2 THR 15 1HG2 THR 15 -10.332 13.494 1.507 108 2HG2 THR 15 2HG2 THR 15 -9.037 12.304 1.647 109 3HG2 THR 15 3HG2 THR 15 -10.064 12.326 0.214 110 H CYS 16 H CYS 16 -5.424 14.633 0.305 111 HA CYS 16 HA CYS 16 -4.809 13.325 2.792 112 1HB CYS 16 2HB CYS 16 -3.787 11.923 0.864 113 2HB CYS 16 1HB CYS 16 -2.626 13.244 0.727 114 HA PRO 17 HA PRO 17 -3.807 17.879 2.433 115 1HB PRO 17 2HB PRO 17 -4.764 17.727 5.234 116 2HB PRO 17 1HB PRO 17 -5.172 18.885 3.964 117 1HG PRO 17 2HG PRO 17 -6.908 17.001 4.723 118 2HG PRO 17 1HG PRO 17 -6.770 17.501 3.027 119 1HD PRO 17 2HD PRO 17 -5.722 15.046 4.374 120 2HD PRO 17 1HD PRO 17 -6.420 15.233 2.752 121 HA PRO 18 HA PRO 18 -1.165 16.982 6.581 122 1HB PRO 18 2HB PRO 18 -1.061 14.040 6.051 123 2HB PRO 18 1HB PRO 18 -1.001 14.909 7.590 124 1HG PRO 18 2HG PRO 18 -3.234 13.694 6.811 125 2HG PRO 18 1HG PRO 18 -3.293 15.267 7.628 126 1HD PRO 18 2HD PRO 18 -3.709 14.606 4.754 127 2HD PRO 18 1HD PRO 18 -4.452 15.879 5.741 128 H GLY 19 H GLY 19 -0.623 14.386 4.182 129 1HA GLY 19 2HA GLY 19 2.065 15.484 3.729 130 2HA GLY 19 1HA GLY 19 1.536 13.855 3.317 131 H GLU 20 H GLU 20 2.850 15.972 1.685 132 HA GLU 20 HA GLU 20 0.937 15.894 -0.534 133 1HB GLU 20 2HB GLU 20 2.594 18.354 -0.062 134 2HB GLU 20 1HB GLU 20 1.176 18.163 -1.083 135 1HG GLU 20 2HG GLU 20 0.136 19.208 0.601 136 2HG GLU 20 1HG GLU 20 0.111 17.601 1.326 137 H ASN 21 H ASN 21 3.357 14.350 0.127 138 HA ASN 21 HA ASN 21 4.786 14.864 -2.374 139 1HB ASN 21 2HB ASN 21 6.252 14.291 0.206 140 2HB ASN 21 1HB ASN 21 6.954 14.702 -1.361 141 1HD2 ASN 21 1HD2 ASN 21 7.607 16.708 -1.551 142 2HD2 ASN 21 2HD2 ASN 21 6.989 18.073 -0.691 143 H LEU 22 H LEU 22 3.662 13.010 -3.166 144 HA LEU 22 HA LEU 22 3.497 10.812 -3.698 145 1HB LEU 22 2HB LEU 22 5.931 10.157 -2.110 146 2HB LEU 22 1HB LEU 22 5.438 9.559 -3.679 147 HG LEU 22 HG LEU 22 6.653 12.249 -3.065 148 1HD1 LEU 22 1HD1 LEU 22 8.581 11.481 -3.945 149 2HD1 LEU 22 2HD1 LEU 22 7.764 10.420 -5.091 150 3HD1 LEU 22 3HD1 LEU 22 7.939 9.931 -3.406 151 1HD2 LEU 22 1HD2 LEU 22 5.537 11.195 -5.659 152 2HD2 LEU 22 2HD2 LEU 22 6.534 12.641 -5.502 153 3HD2 LEU 22 3HD2 LEU 22 4.947 12.577 -4.735 154 H CYS 23 H CYS 23 2.060 9.416 -2.884 155 HA CYS 23 HA CYS 23 1.528 9.350 -0.093 156 1HB CYS 23 2HB CYS 23 0.432 7.341 -2.036 157 2HB CYS 23 1HB CYS 23 -0.318 7.994 -0.587 158 H TYR 24 H TYR 24 1.507 7.440 1.240 159 HA TYR 24 HA TYR 24 3.999 6.148 1.315 160 1HB TYR 24 2HB TYR 24 1.471 6.032 2.861 161 2HB TYR 24 1HB TYR 24 2.534 4.641 3.000 162 HD1 TYR 24 1HD TYR 24 5.157 6.248 2.753 163 HD2 TYR 24 2HD TYR 24 1.647 6.795 5.093 164 HE1 TYR 24 1HE TYR 24 6.488 7.407 4.464 165 HE2 TYR 24 2HE TYR 24 2.968 7.960 6.811 166 HH TYR 24 HH TYR 24 6.186 8.985 6.272 167 H ARG 25 H ARG 25 3.692 5.362 -1.059 168 HA ARG 25 HA ARG 25 2.056 3.182 -1.674 169 1HB ARG 25 2HB ARG 25 3.396 4.536 -3.305 170 2HB ARG 25 1HB ARG 25 4.832 3.685 -2.759 171 1HG ARG 25 2HG ARG 25 2.991 1.685 -3.393 172 2HG ARG 25 1HG ARG 25 2.844 2.886 -4.677 173 1HD ARG 25 2HD ARG 25 5.368 2.824 -4.842 174 2HD ARG 25 1HD ARG 25 5.313 1.412 -3.790 175 HE ARG 25 HE ARG 25 4.659 0.167 -5.582 176 1HH1 ARG 25 1HH1 ARG 25 4.006 3.523 -6.287 177 2HH1 ARG 25 2HH1 ARG 25 3.539 3.215 -7.927 178 1HH2 ARG 25 1HH2 ARG 25 4.047 -0.238 -7.735 179 2HH2 ARG 25 2HH2 ARG 25 3.561 1.080 -8.748 180 H LYS 26 H LYS 26 2.100 1.895 0.250 181 HA LYS 26 HA LYS 26 4.556 0.559 0.973 182 1HB LYS 26 2HB LYS 26 2.998 1.236 2.724 183 2HB LYS 26 1HB LYS 26 1.732 0.249 2.008 184 1HG LYS 26 2HG LYS 26 2.598 -1.696 2.812 185 2HG LYS 26 1HG LYS 26 4.258 -1.099 2.785 186 1HD LYS 26 2HD LYS 26 4.051 -0.032 4.817 187 2HD LYS 26 1HD LYS 26 2.299 0.124 4.676 188 1HE LYS 26 2HE LYS 26 2.107 -2.330 4.980 189 2HE LYS 26 1HE LYS 26 3.849 -2.401 5.237 190 1HZ LYS 26 1HZ LYS 26 1.757 -1.537 7.030 191 2HZ LYS 26 2HZ LYS 26 3.103 -0.512 6.996 192 3HZ LYS 26 3HZ LYS 26 3.296 -2.149 7.376 193 H MET 27 H MET 27 4.774 -1.759 1.064 194 HA MET 27 HA MET 27 2.998 -3.558 -0.143 195 1HB MET 27 2HB MET 27 4.136 -1.997 -2.069 196 2HB MET 27 1HB MET 27 5.261 -3.346 -2.017 197 1HG MET 27 2HG MET 27 3.836 -4.719 -3.036 198 2HG MET 27 1HG MET 27 2.479 -4.194 -2.042 199 1HE MET 27 1HE MET 27 4.038 -4.270 -5.439 200 2HE MET 27 2HE MET 27 2.672 -3.607 -6.336 201 3HE MET 27 3HE MET 27 2.433 -4.978 -5.252 202 H TRP 28 H TRP 28 3.540 -5.024 1.388 203 HA TRP 28 HA TRP 28 6.086 -5.523 2.398 204 1HB TRP 28 2HB TRP 28 3.918 -6.291 3.400 205 2HB TRP 28 1HB TRP 28 3.850 -7.547 2.170 206 HD1 TRP 28 HD TRP 28 4.527 -9.781 3.198 207 HE1 TRP 28 1HE TRP 28 6.291 -10.581 4.893 208 HE3 TRP 28 3HE TRP 28 6.618 -5.268 4.385 209 HZ2 TRP 28 2HZ TRP 28 8.304 -9.448 6.517 210 HZ3 TRP 28 3HZ TRP 28 8.457 -5.213 6.017 211 HH2 TRP 28 HH TRP 28 9.282 -7.261 7.061 212 H CYS 29 H CYS 29 4.368 -7.908 0.393 213 HA CYS 29 HA CYS 29 5.161 -9.465 -1.073 214 1HB CYS 29 2HB CYS 29 6.195 -6.836 -1.880 215 2HB CYS 29 1HB CYS 29 7.073 -8.201 -2.571 216 H ASP 30 H ASP 30 6.154 -10.734 0.620 217 HA ASP 30 HA ASP 30 8.824 -10.418 1.444 218 1HB ASP 30 2HB ASP 30 6.800 -12.015 2.242 219 2HB ASP 30 1HB ASP 30 7.742 -13.175 1.310 220 H ALA 31 H ALA 31 10.322 -10.177 -0.133 221 HA ALA 31 HA ALA 31 11.804 -10.752 -1.760 222 1HB ALA 31 1HB ALA 31 12.123 -13.177 -2.237 223 2HB ALA 31 2HB ALA 31 10.756 -13.516 -1.176 224 3HB ALA 31 3HB ALA 31 12.210 -12.761 -0.526 225 H PHE 32 H PHE 32 9.377 -13.212 -2.558 226 HA PHE 32 HA PHE 32 9.137 -12.018 -5.220 227 1HB PHE 32 2HB PHE 32 9.464 -14.628 -4.455 228 2HB PHE 32 1HB PHE 32 7.724 -14.547 -4.701 229 HD1 PHE 32 1HD PHE 32 6.790 -14.316 -6.881 230 HD2 PHE 32 2HD PHE 32 11.005 -14.175 -6.312 231 HE1 PHE 32 1HE PHE 32 7.122 -14.545 -9.309 232 HE2 PHE 32 2HE PHE 32 11.345 -14.404 -8.738 233 HZ PHE 32 HZ PHE 32 9.401 -14.589 -10.240 234 H CYS 33 H CYS 33 7.244 -11.240 -6.029 235 HA CYS 33 HA CYS 33 5.157 -10.675 -4.105 236 1HB CYS 33 2HB CYS 33 5.759 -9.759 -6.899 237 2HB CYS 33 1HB CYS 33 4.174 -9.463 -6.191 238 H SER 34 H SER 34 4.729 -11.537 -7.520 239 HA SER 34 HA SER 34 3.366 -13.026 -8.564 240 1HB SER 34 2HB SER 34 4.564 -14.728 -7.254 241 2HB SER 34 1HB SER 34 3.438 -14.499 -5.917 242 HG SER 34 HG SER 34 2.254 -15.930 -6.877 243 H SER 35 H SER 35 2.054 -13.310 -5.272 244 HA SER 35 HA SER 35 -0.069 -11.526 -5.541 245 1HB SER 35 2HB SER 35 -0.531 -14.201 -6.727 246 2HB SER 35 1HB SER 35 -1.819 -13.581 -5.694 247 HG SER 35 HG SER 35 -0.879 -12.634 -8.143 248 H ARG 36 H ARG 36 1.820 -12.657 -3.602 249 HA ARG 36 HA ARG 36 -0.086 -13.541 -1.549 250 1HB ARG 36 2HB ARG 36 1.408 -15.075 -0.765 251 2HB ARG 36 1HB ARG 36 1.905 -15.048 -2.449 252 1HG ARG 36 2HG ARG 36 3.518 -13.143 -1.551 253 2HG ARG 36 1HG ARG 36 3.298 -14.028 -0.041 254 1HD ARG 36 2HD ARG 36 3.757 -16.072 -1.742 255 2HD ARG 36 1HD ARG 36 4.710 -14.803 -2.510 256 HE ARG 36 HE ARG 36 6.199 -14.916 -0.776 257 1HH1 ARG 36 1HH1 ARG 36 3.257 -16.545 0.157 258 2HH1 ARG 36 2HH1 ARG 36 3.930 -17.191 1.616 259 1HH2 ARG 36 1HH2 ARG 36 7.085 -15.761 1.142 260 2HH2 ARG 36 2HH2 ARG 36 6.104 -16.745 2.176 261 H GLY 37 H GLY 37 1.742 -10.953 -2.528 262 1HA GLY 37 2HA GLY 37 2.044 -10.016 0.258 263 2HA GLY 37 1HA GLY 37 3.209 -9.637 -0.998 264 H LYS 38 H LYS 38 -0.353 -9.467 -0.752 265 HA LYS 38 HA LYS 38 -0.262 -6.856 -2.043 266 1HB LYS 38 2HB LYS 38 -2.832 -8.084 -1.164 267 2HB LYS 38 1HB LYS 38 -2.474 -7.148 -2.606 268 1HG LYS 38 2HG LYS 38 -2.527 -9.075 -3.702 269 2HG LYS 38 1HG LYS 38 -0.971 -9.433 -2.949 270 1HD LYS 38 2HD LYS 38 -2.373 -11.302 -2.535 271 2HD LYS 38 1HD LYS 38 -2.272 -10.407 -1.016 272 1HE LYS 38 2HE LYS 38 -4.440 -9.626 -1.181 273 2HE LYS 38 1HE LYS 38 -4.491 -9.834 -2.929 274 1HZ LYS 38 1HZ LYS 38 -4.317 -12.317 -2.384 275 2HZ LYS 38 2HZ LYS 38 -5.803 -11.548 -2.136 276 3HZ LYS 38 3HZ LYS 38 -4.791 -11.874 -0.821 277 H VAL 39 H VAL 39 0.638 -7.283 0.774 278 HA VAL 39 HA VAL 39 -1.110 -6.430 2.716 279 HB VAL 39 HB VAL 39 1.769 -5.536 2.469 280 1HG1 VAL 39 1HG1 VAL 39 0.013 -5.827 4.904 281 2HG1 VAL 39 2HG1 VAL 39 0.471 -4.301 4.147 282 3HG1 VAL 39 3HG1 VAL 39 1.703 -5.323 4.889 283 1HG2 VAL 39 1HG2 VAL 39 2.321 -7.496 3.815 284 2HG2 VAL 39 2HG2 VAL 39 1.567 -7.970 2.293 285 3HG2 VAL 39 3HG2 VAL 39 0.632 -8.000 3.789 286 H VAL 40 H VAL 40 1.073 -4.287 0.898 287 HA VAL 40 HA VAL 40 1.032 -2.038 0.529 288 HB VAL 40 HB VAL 40 -0.922 -1.238 -0.650 289 1HG1 VAL 40 1HG1 VAL 40 -1.259 -3.471 -2.095 290 2HG1 VAL 40 2HG1 VAL 40 0.184 -3.923 -1.188 291 3HG1 VAL 40 3HG1 VAL 40 0.191 -2.470 -2.187 292 1HG2 VAL 40 1HG2 VAL 40 -2.594 -2.199 0.951 293 2HG2 VAL 40 2HG2 VAL 40 -2.340 -3.764 0.181 294 3HG2 VAL 40 3HG2 VAL 40 -2.997 -2.420 -0.751 295 H GLU 41 H GLU 41 -0.609 0.012 0.837 296 HA GLU 41 HA GLU 41 -2.124 0.166 3.187 297 1HB GLU 41 2HB GLU 41 0.053 -0.248 4.282 298 2HB GLU 41 1HB GLU 41 0.707 1.184 3.498 299 1HG GLU 41 2HG GLU 41 0.136 1.704 5.769 300 2HG GLU 41 1HG GLU 41 -0.957 2.559 4.681 301 H LEU 42 H LEU 42 0.409 2.336 1.915 302 HA LEU 42 HA LEU 42 0.297 4.367 0.892 303 1HB LEU 42 2HB LEU 42 -2.597 3.879 0.293 304 2HB LEU 42 1HB LEU 42 -1.421 4.787 -0.641 305 HG LEU 42 HG LEU 42 -0.445 2.144 -0.513 306 1HD1 LEU 42 1HD1 LEU 42 -2.422 1.096 0.005 307 2HD1 LEU 42 2HD1 LEU 42 -2.483 1.110 -1.758 308 3HD1 LEU 42 3HD1 LEU 42 -3.404 2.296 -0.835 309 1HD2 LEU 42 1HD2 LEU 42 -0.834 4.148 -2.387 310 2HD2 LEU 42 2HD2 LEU 42 -1.803 2.801 -2.984 311 3HD2 LEU 42 3HD2 LEU 42 -0.084 2.576 -2.663 312 H GLY 43 H GLY 43 0.009 6.420 1.576 313 1HA GLY 43 2HA GLY 43 -2.138 7.625 2.724 314 2HA GLY 43 1HA GLY 43 -1.391 6.774 4.070 315 H CYS 44 H CYS 44 -0.022 8.615 1.313 316 HA CYS 44 HA CYS 44 1.294 10.466 1.261 317 1HB CYS 44 2HB CYS 44 -0.036 10.791 3.886 318 2HB CYS 44 1HB CYS 44 1.410 11.756 3.596 319 H ALA 45 H ALA 45 3.367 10.270 1.032 320 HA ALA 45 HA ALA 45 4.962 9.236 3.281 321 1HB ALA 45 1HB ALA 45 6.047 8.861 0.574 322 2HB ALA 45 2HB ALA 45 4.620 7.904 0.964 323 3HB ALA 45 3HB ALA 45 6.067 7.779 1.964 324 H ALA 46 H ALA 46 7.372 9.747 2.894 325 HA ALA 46 HA ALA 46 7.538 12.625 2.354 326 1HB ALA 46 1HB ALA 46 8.902 10.792 4.226 327 2HB ALA 46 2HB ALA 46 8.420 12.476 4.433 328 3HB ALA 46 3HB ALA 46 9.888 12.082 3.538 329 H THR 47 H THR 47 7.579 12.212 0.069 330 HA THR 47 HA THR 47 8.597 12.085 -1.946 331 HB THR 47 HB THR 47 10.249 13.570 -0.692 332 HG1 THR 47 1HG THR 47 10.221 13.088 -3.014 333 1HG2 THR 47 1HG2 THR 47 11.573 10.967 -0.296 334 2HG2 THR 47 2HG2 THR 47 11.663 12.451 0.650 335 3HG2 THR 47 3HG2 THR 47 12.592 12.298 -0.839 336 H CYS 48 H CYS 48 10.316 10.791 -3.246 337 HA CYS 48 HA CYS 48 9.683 8.049 -2.867 338 1HB CYS 48 2HB CYS 48 11.319 9.596 -4.829 339 2HB CYS 48 1HB CYS 48 11.530 7.851 -4.752 340 HA PRO 49 HA PRO 49 14.691 7.905 -2.037 341 1HB PRO 49 2HB PRO 49 14.187 10.121 -0.068 342 2HB PRO 49 1HB PRO 49 15.700 9.651 -0.856 343 1HG PRO 49 2HG PRO 49 14.239 11.715 -1.757 344 2HG PRO 49 1HG PRO 49 15.126 10.650 -2.859 345 1HD PRO 49 2HD PRO 49 12.228 10.910 -2.450 346 2HD PRO 49 1HD PRO 49 13.111 10.189 -3.808 347 H SER 50 H SER 50 13.405 6.027 -1.385 348 HA SER 50 HA SER 50 13.505 5.602 1.462 349 1HB SER 50 2HB SER 50 11.249 6.738 0.836 350 2HB SER 50 1HB SER 50 10.832 5.170 0.144 351 HG SER 50 HG SER 50 11.151 5.918 2.804 352 H LYS 51 H LYS 51 12.665 4.447 -1.749 353 HA LYS 51 HA LYS 51 12.176 1.804 -1.444 354 1HB LYS 51 2HB LYS 51 14.145 2.699 -3.532 355 2HB LYS 51 1HB LYS 51 12.909 1.456 -3.651 356 1HG LYS 51 2HG LYS 51 11.742 3.000 -4.758 357 2HG LYS 51 1HG LYS 51 11.409 3.678 -3.163 358 1HD LYS 51 2HD LYS 51 12.173 5.454 -4.573 359 2HD LYS 51 1HD LYS 51 13.458 5.087 -3.421 360 1HE LYS 51 2HE LYS 51 14.177 3.450 -5.413 361 2HE LYS 51 1HE LYS 51 13.360 4.699 -6.352 362 1HZ LYS 51 1HZ LYS 51 14.835 6.331 -5.570 363 2HZ LYS 51 2HZ LYS 51 15.815 5.012 -5.971 364 3HZ LYS 51 3HZ LYS 51 15.449 5.332 -4.351 365 H LYS 52 H LYS 52 15.472 3.139 -1.776 366 HA LYS 52 HA LYS 52 16.955 0.864 -1.516 367 1HB LYS 52 2HB LYS 52 17.426 3.697 -0.716 368 2HB LYS 52 1HB LYS 52 18.568 2.482 -0.157 369 1HG LYS 52 2HG LYS 52 19.598 2.966 -2.094 370 2HG LYS 52 1HG LYS 52 18.433 1.814 -2.753 371 1HD LYS 52 2HD LYS 52 17.574 3.405 -4.049 372 2HD LYS 52 1HD LYS 52 17.189 4.374 -2.625 373 1HE LYS 52 2HE LYS 52 19.836 4.352 -4.073 374 2HE LYS 52 1HE LYS 52 18.597 5.596 -4.223 375 1HZ LYS 52 1HZ LYS 52 20.447 6.128 -2.661 376 2HZ LYS 52 2HZ LYS 52 19.894 4.890 -1.651 377 3HZ LYS 52 3HZ LYS 52 18.904 6.222 -1.971 378 HA PRO 53 HA PRO 53 17.004 1.037 3.304 379 1HB PRO 53 2HB PRO 53 15.281 2.809 4.498 380 2HB PRO 53 1HB PRO 53 16.973 3.170 4.152 381 1HG PRO 53 2HG PRO 53 14.520 3.937 2.633 382 2HG PRO 53 1HG PRO 53 15.973 4.892 2.976 383 1HD PRO 53 2HD PRO 53 15.541 3.718 0.578 384 2HD PRO 53 1HD PRO 53 17.167 3.933 1.256 385 H TYR 54 H TYR 54 14.698 1.244 5.035 386 HA TYR 54 HA TYR 54 13.368 -1.115 4.580 387 1HB TYR 54 2HB TYR 54 11.522 0.833 5.699 388 2HB TYR 54 1HB TYR 54 12.290 -0.555 6.473 389 HD1 TYR 54 1HD TYR 54 14.443 -0.316 7.593 390 HD2 TYR 54 2HD TYR 54 12.469 3.029 5.873 391 HE1 TYR 54 1HE TYR 54 15.975 1.182 8.773 392 HE2 TYR 54 2HE TYR 54 13.983 4.545 7.053 393 HH TYR 54 HH TYR 54 16.548 4.195 8.042 394 H GLU 55 H GLU 55 12.786 -1.503 2.478 395 HA GLU 55 HA GLU 55 11.389 0.247 0.802 396 1HB GLU 55 2HB GLU 55 12.473 -2.348 0.647 397 2HB GLU 55 1HB GLU 55 10.791 -2.498 0.167 398 1HG GLU 55 2HG GLU 55 11.655 -0.237 -1.167 399 2HG GLU 55 1HG GLU 55 13.035 -1.332 -1.248 400 H GLU 56 H GLU 56 9.262 -1.510 -0.128 401 HA GLU 56 HA GLU 56 7.029 -1.716 0.085 402 1HB GLU 56 2HB GLU 56 6.173 -2.787 1.995 403 2HB GLU 56 1HB GLU 56 7.832 -3.344 1.867 404 1HG GLU 56 2HG GLU 56 8.481 -2.293 3.768 405 2HG GLU 56 1HG GLU 56 7.308 -0.993 3.593 406 H VAL 57 H VAL 57 7.992 0.825 0.010 407 HA VAL 57 HA VAL 57 5.796 2.311 1.122 408 HB VAL 57 HB VAL 57 8.602 3.088 1.948 409 1HG1 VAL 57 1HG1 VAL 57 6.077 4.511 1.864 410 2HG1 VAL 57 2HG1 VAL 57 7.711 5.120 2.125 411 3HG1 VAL 57 3HG1 VAL 57 6.778 4.492 3.482 412 1HG2 VAL 57 1HG2 VAL 57 6.361 1.861 3.545 413 2HG2 VAL 57 2HG2 VAL 57 7.772 2.635 4.266 414 3HG2 VAL 57 3HG2 VAL 57 7.971 1.199 3.263 415 H THR 58 H THR 58 9.028 2.557 -0.270 416 HA THR 58 HA THR 58 9.911 4.056 -1.787 417 HB THR 58 HB THR 58 8.934 3.602 -4.043 418 HG1 THR 58 1HG THR 58 7.223 2.090 -4.115 419 1HG2 THR 58 1HG2 THR 58 10.022 1.675 -4.141 420 2HG2 THR 58 2HG2 THR 58 8.919 0.903 -3.001 421 3HG2 THR 58 3HG2 THR 58 10.282 1.848 -2.405 422 H CYS 59 H CYS 59 6.738 4.390 -3.238 423 HA CYS 59 HA CYS 59 5.956 6.832 -2.127 424 1HB CYS 59 2HB CYS 59 6.573 8.169 -4.335 425 2HB CYS 59 1HB CYS 59 7.701 8.068 -2.982 426 H CYS 60 H CYS 60 4.131 7.780 -3.259 427 HA CYS 60 HA CYS 60 3.049 6.066 -5.393 428 1HB CYS 60 2HB CYS 60 2.072 6.255 -2.741 429 2HB CYS 60 1HB CYS 60 0.919 7.103 -3.765 430 H SER 61 H SER 61 4.074 9.082 -4.761 431 HA SER 61 HA SER 61 3.561 11.199 -5.475 432 1HB SER 61 2HB SER 61 3.169 11.373 -7.840 433 2HB SER 61 1HB SER 61 4.246 10.001 -7.565 434 HG SER 61 HG SER 61 1.599 10.048 -8.433 435 H THR 62 H THR 62 1.484 12.134 -7.193 436 HA THR 62 HA THR 62 -0.767 11.822 -5.357 437 HB THR 62 HB THR 62 -1.623 13.893 -6.419 438 HG1 THR 62 1HG THR 62 0.842 13.913 -7.816 439 1HG2 THR 62 1HG2 THR 62 1.194 14.037 -5.391 440 2HG2 THR 62 2HG2 THR 62 -0.303 14.281 -4.491 441 3HG2 THR 62 3HG2 THR 62 0.191 15.452 -5.713 442 H ASP 63 H ASP 63 -2.440 10.602 -5.941 443 HA ASP 63 HA ASP 63 -3.823 10.601 -8.294 444 1HB ASP 63 2HB ASP 63 -2.990 8.370 -9.297 445 2HB ASP 63 1HB ASP 63 -2.053 9.823 -9.626 446 H LYS 64 H LYS 64 -4.922 8.318 -8.698 447 HA LYS 64 HA LYS 64 -6.099 7.597 -6.168 448 1HB LYS 64 2HB LYS 64 -6.791 6.048 -8.602 449 2HB LYS 64 1HB LYS 64 -7.840 6.728 -7.363 450 1HG LYS 64 2HG LYS 64 -8.425 8.138 -9.007 451 2HG LYS 64 1HG LYS 64 -6.951 8.988 -8.535 452 1HD LYS 64 2HD LYS 64 -5.911 8.478 -10.457 453 2HD LYS 64 1HD LYS 64 -6.488 6.812 -10.429 454 1HE LYS 64 2HE LYS 64 -7.671 7.487 -12.227 455 2HE LYS 64 1HE LYS 64 -8.786 8.080 -10.996 456 1HZ LYS 64 1HZ LYS 64 -7.331 9.547 -12.925 457 2HZ LYS 64 2HZ LYS 64 -6.896 10.071 -11.376 458 3HZ LYS 64 3HZ LYS 64 -8.520 10.092 -11.851 459 H CYS 65 H CYS 65 -3.687 6.867 -5.716 460 HA CYS 65 HA CYS 65 -2.739 4.421 -6.682 461 1HB CYS 65 2HB CYS 65 -2.128 6.247 -4.498 462 2HB CYS 65 1HB CYS 65 -1.875 4.569 -4.038 463 H ASN 66 H ASN 66 -4.046 4.926 -3.427 464 HA ASN 66 HA ASN 66 -5.104 3.554 -1.972 465 1HB ASN 66 2HB ASN 66 -7.166 2.510 -2.807 466 2HB ASN 66 1HB ASN 66 -6.985 4.164 -3.375 467 1HD2 ASN 66 1HD2 ASN 66 -7.019 4.560 -5.489 468 2HD2 ASN 66 2HD2 ASN 66 -7.081 3.350 -6.720 469 HA PRO 67 HA PRO 67 -3.483 -0.514 -1.764 470 1HB PRO 67 2HB PRO 67 -5.981 -1.520 -0.587 471 2HB PRO 67 1HB PRO 67 -4.384 -1.363 0.146 472 1HG PRO 67 2HG PRO 67 -6.418 0.229 0.854 473 2HG PRO 67 1HG PRO 67 -4.749 0.821 0.792 474 1HD PRO 67 2HD PRO 67 -6.963 1.179 -1.199 475 2HD PRO 67 1HD PRO 67 -5.783 2.365 -0.604 476 H HIS 68 H HIS 68 -4.112 -0.317 -4.290 477 HA HIS 68 HA HIS 68 -6.219 -1.844 -5.308 478 1HB HIS 68 2HB HIS 68 -4.941 -1.907 -7.398 479 2HB HIS 68 1HB HIS 68 -4.893 -0.300 -6.681 480 HD1 HIS 68 1HD HIS 68 -2.609 0.413 -5.559 481 HD2 HIS 68 2HD HIS 68 -2.492 -3.127 -7.732 482 HE1 HIS 68 1HE HIS 68 -0.168 -0.070 -5.927 483 HE2 HIS 68 2HE HIS 68 -0.121 -2.240 -7.207 484 HA PRO 69 HA PRO 69 -4.814 -5.854 -3.728 485 1HB PRO 69 2HB PRO 69 -7.012 -6.705 -5.554 486 2HB PRO 69 1HB PRO 69 -6.699 -7.166 -3.876 487 1HG PRO 69 2HG PRO 69 -8.643 -5.449 -4.455 488 2HG PRO 69 1HG PRO 69 -7.617 -5.208 -3.028 489 1HD PRO 69 2HD PRO 69 -7.552 -3.809 -5.669 490 2HD PRO 69 1HD PRO 69 -7.282 -3.159 -4.040 491 H LYS 70 H LYS 70 -3.116 -6.877 -4.561 492 HA LYS 70 HA LYS 70 -2.694 -6.856 -7.436 493 1HB LYS 70 2HB LYS 70 -0.447 -7.163 -7.006 494 2HB LYS 70 1HB LYS 70 -0.959 -6.283 -5.578 495 1HG LYS 70 2HG LYS 70 -0.243 -7.909 -4.256 496 2HG LYS 70 1HG LYS 70 -1.228 -9.099 -5.104 497 1HD LYS 70 2HD LYS 70 1.533 -8.176 -5.892 498 2HD LYS 70 1HD LYS 70 1.114 -9.734 -5.179 499 1HE LYS 70 2HE LYS 70 0.014 -10.453 -7.114 500 2HE LYS 70 1HE LYS 70 -0.122 -8.820 -7.755 501 1HZ LYS 70 1HZ LYS 70 1.953 -8.876 -8.591 502 2HZ LYS 70 2HZ LYS 70 1.710 -10.550 -8.568 503 3HZ LYS 70 3HZ LYS 70 2.578 -9.805 -7.322 504 H GLN 71 H GLN 71 -4.228 -8.881 -5.338 505 HA GLN 71 HA GLN 71 -3.289 -11.433 -6.018 506 1HB GLN 71 2HB GLN 71 -4.695 -11.336 -4.152 507 2HB GLN 71 1HB GLN 71 -5.912 -10.391 -4.993 508 1HG GLN 71 2HG GLN 71 -6.487 -12.364 -6.339 509 2HG GLN 71 1HG GLN 71 -5.290 -13.302 -5.447 510 1HE2 GLN 71 1HE2 GLN 71 -8.180 -13.671 -5.683 511 2HE2 GLN 71 2HE2 GLN 71 -8.796 -13.649 -4.069 512 H ARG 72 H ARG 72 -5.041 -9.161 -7.881 513 HA ARG 72 HA ARG 72 -5.984 -11.232 -9.724 514 1HB ARG 72 2HB ARG 72 -7.104 -9.221 -10.863 515 2HB ARG 72 1HB ARG 72 -7.743 -9.752 -9.316 516 1HG ARG 72 2HG ARG 72 -7.675 -7.547 -8.874 517 2HG ARG 72 1HG ARG 72 -6.003 -7.906 -8.454 518 1HD ARG 72 2HD ARG 72 -6.190 -7.442 -11.269 519 2HD ARG 72 1HD ARG 72 -6.967 -6.116 -10.404 520 HE ARG 72 HE ARG 72 -4.272 -6.963 -9.622 521 1HH1 ARG 72 1HH1 ARG 72 -6.379 -4.535 -11.000 522 2HH1 ARG 72 2HH1 ARG 72 -5.198 -3.276 -10.889 523 1HH2 ARG 72 1HH2 ARG 72 -2.725 -5.304 -9.486 524 2HH2 ARG 72 2HH2 ARG 72 -3.125 -3.711 -10.037 525 HA PRO 73 HA PRO 73 -2.290 -10.024 -12.063 526 1HB PRO 73 2HB PRO 73 -1.974 -12.333 -13.379 527 2HB PRO 73 1HB PRO 73 -1.549 -12.186 -11.669 528 1HG PRO 73 2HG PRO 73 -4.003 -13.363 -12.916 529 2HG PRO 73 1HG PRO 73 -3.029 -13.977 -11.568 530 1HD PRO 73 2HD PRO 73 -5.376 -12.584 -11.259 531 2HD PRO 73 1HD PRO 73 -4.087 -12.639 -10.041 532 H GLY 74 H GLY 74 -1.796 -10.115 -14.464 533 1HA GLY 74 2HA GLY 74 -2.369 -9.489 -16.597 534 2HA GLY 74 1HA GLY 74 -3.706 -10.622 -16.428 535 1H TYR 181 1HT TYR 181 -2.151 -16.792 24.469 536 2H TYR 181 2HT TYR 181 -2.794 -16.333 22.946 537 3H TYR 181 3HT TYR 181 -1.223 -15.817 23.407 538 HA TYR 181 HA TYR 181 -0.651 -18.234 23.557 539 1HB TYR 181 2HB TYR 181 -3.121 -18.846 23.463 540 2HB TYR 181 1HB TYR 181 -3.064 -18.446 21.750 541 HD1 TYR 181 1HD TYR 181 -3.072 -20.342 20.443 542 HD2 TYR 181 2HD TYR 181 -0.820 -20.364 24.053 543 HE1 TYR 181 1HE TYR 181 -2.289 -22.617 19.933 544 HE2 TYR 181 2HE TYR 181 -0.030 -22.638 23.552 545 HH TYR 181 HH TYR 181 0.095 -23.991 20.853 546 H ARG 182 H ARG 182 -1.931 -16.000 21.178 547 HA ARG 182 HA ARG 182 0.514 -16.305 19.618 548 1HB ARG 182 2HB ARG 182 -0.644 -16.549 17.514 549 2HB ARG 182 1HB ARG 182 -1.156 -17.834 18.599 550 1HG ARG 182 2HG ARG 182 -2.828 -15.419 18.651 551 2HG ARG 182 1HG ARG 182 -2.833 -16.311 17.130 552 1HD ARG 182 2HD ARG 182 -3.477 -18.337 18.277 553 2HD ARG 182 1HD ARG 182 -3.353 -17.529 19.839 554 HE ARG 182 HE ARG 182 -5.547 -17.408 18.002 555 1HH1 ARG 182 1HH1 ARG 182 -3.874 -15.684 20.536 556 2HH1 ARG 182 2HH1 ARG 182 -5.257 -14.740 20.978 557 1HH2 ARG 182 1HH2 ARG 182 -7.368 -16.169 18.585 558 2HH2 ARG 182 2HH2 ARG 182 -7.241 -15.017 19.873 559 H GLY 183 H GLY 183 -0.072 -14.674 17.500 560 1HA GLY 183 2HA GLY 183 -1.262 -12.215 18.485 561 2HA GLY 183 1HA GLY 183 0.479 -12.160 18.255 562 H TRP 184 H TRP 184 0.748 -13.688 15.959 563 HA TRP 184 HA TRP 184 -0.028 -11.782 13.969 564 1HB TRP 184 2HB TRP 184 1.045 -13.482 12.395 565 2HB TRP 184 1HB TRP 184 2.088 -12.786 13.629 566 HD1 TRP 184 HD TRP 184 3.008 -14.406 15.522 567 HE1 TRP 184 1HE TRP 184 3.094 -16.970 15.725 568 HE3 TRP 184 3HE TRP 184 -0.283 -15.630 11.801 569 HZ2 TRP 184 2HZ TRP 184 1.926 -19.214 14.473 570 HZ3 TRP 184 3HZ TRP 184 -0.740 -18.009 11.368 571 HH2 TRP 184 HH TRP 184 0.343 -19.762 12.677 572 H LYS 185 H LYS 185 -0.761 -12.932 11.759 573 HA LYS 185 HA LYS 185 -2.315 -14.150 10.590 574 1HB LYS 185 2HB LYS 185 -3.246 -16.007 11.464 575 2HB LYS 185 1HB LYS 185 -2.184 -15.687 12.824 576 1HG LYS 185 2HG LYS 185 -4.149 -14.339 13.782 577 2HG LYS 185 1HG LYS 185 -5.124 -15.176 12.574 578 1HD LYS 185 2HD LYS 185 -4.943 -17.185 13.622 579 2HD LYS 185 1HD LYS 185 -3.321 -16.844 14.229 580 1HE LYS 185 2HE LYS 185 -4.797 -16.927 16.102 581 2HE LYS 185 1HE LYS 185 -4.352 -15.241 15.844 582 1HZ LYS 185 1HZ LYS 185 -6.739 -15.569 16.290 583 2HZ LYS 185 2HZ LYS 185 -6.870 -16.475 14.868 584 3HZ LYS 185 3HZ LYS 185 -6.449 -14.839 14.792 585 H HIS 186 H HIS 186 -3.393 -12.429 13.488 586 HA HIS 186 HA HIS 186 -5.925 -11.724 12.316 587 1HB HIS 186 2HB HIS 186 -5.696 -12.031 14.746 588 2HB HIS 186 1HB HIS 186 -4.566 -10.678 14.811 589 HD1 HIS 186 1HD HIS 186 -8.070 -11.460 15.162 590 HD2 HIS 186 2HD HIS 186 -5.865 -8.153 13.952 591 HE1 HIS 186 1HE HIS 186 -9.646 -9.505 15.325 592 HE2 HIS 186 2HE HIS 186 -8.320 -7.536 14.480 593 H TRP 187 H TRP 187 -2.757 -10.290 12.616 594 HA TRP 187 HA TRP 187 -3.374 -7.616 12.113 595 1HB TRP 187 2HB TRP 187 -0.920 -9.235 11.427 596 2HB TRP 187 1HB TRP 187 -1.021 -7.493 11.199 597 HD1 TRP 187 HD TRP 187 -2.784 -7.373 14.123 598 HE1 TRP 187 1HE TRP 187 -1.350 -7.293 16.259 599 HE3 TRP 187 3HE TRP 187 1.626 -9.110 12.205 600 HZ2 TRP 187 2HZ TRP 187 1.301 -7.887 17.029 601 HZ3 TRP 187 3HZ TRP 187 3.562 -9.323 13.707 602 HH2 TRP 187 HH TRP 187 3.401 -8.724 16.069 603 H VAL 188 H VAL 188 -2.398 -6.555 9.978 604 HA VAL 188 HA VAL 188 -4.143 -7.424 7.866 605 HB VAL 188 HB VAL 188 -2.153 -5.337 7.244 606 1HG1 VAL 188 1HG1 VAL 188 -5.052 -5.861 6.853 607 2HG1 VAL 188 2HG1 VAL 188 -3.809 -5.444 5.673 608 3HG1 VAL 188 3HG1 VAL 188 -4.467 -4.201 6.739 609 1HG2 VAL 188 1HG2 VAL 188 -3.698 -3.718 8.633 610 2HG2 VAL 188 2HG2 VAL 188 -2.307 -4.505 9.376 611 3HG2 VAL 188 3HG2 VAL 188 -3.927 -5.154 9.631 612 H TYR 189 H TYR 189 -3.422 -7.773 5.660 613 HA TYR 189 HA TYR 189 -0.659 -8.474 5.206 614 1HB TYR 189 2HB TYR 189 -2.178 -10.456 6.255 615 2HB TYR 189 1HB TYR 189 -2.455 -10.712 4.532 616 HD1 TYR 189 1HD TYR 189 -0.277 -10.735 3.052 617 HD2 TYR 189 2HD TYR 189 -0.341 -11.453 7.245 618 HE1 TYR 189 1HE TYR 189 1.875 -11.912 2.878 619 HE2 TYR 189 2HE TYR 189 1.810 -12.631 7.083 620 HH TYR 189 HH TYR 189 3.779 -12.491 4.329 621 H TYR 190 H TYR 190 -3.926 -8.054 4.063 622 HA TYR 190 HA TYR 190 -2.947 -7.237 1.493 623 1HB TYR 190 2HB TYR 190 -4.867 -8.990 0.593 624 2HB TYR 190 1HB TYR 190 -3.126 -9.254 0.510 625 HD1 TYR 190 1HD TYR 190 -5.638 -9.494 3.276 626 HD2 TYR 190 2HD TYR 190 -2.626 -11.455 0.998 627 HE1 TYR 190 1HE TYR 190 -5.887 -11.495 4.681 628 HE2 TYR 190 2HE TYR 190 -2.868 -13.464 2.397 629 HH TYR 190 HH TYR 190 -4.470 -14.508 3.862 630 H THR 191 H THR 191 -4.139 -5.580 0.824 631 HA THR 191 HA THR 191 -6.699 -5.072 2.123 632 HB THR 191 HB THR 191 -5.416 -3.268 0.094 633 HG1 THR 191 1HG THR 191 -3.815 -3.829 1.643 634 1HG2 THR 191 1HG2 THR 191 -7.313 -2.929 2.358 635 2HG2 THR 191 2HG2 THR 191 -7.385 -2.285 0.717 636 3HG2 THR 191 3HG2 THR 191 -6.265 -1.590 1.889 637 H CYS 192 H CYS 192 -7.717 -6.872 1.020 638 HA CYS 192 HA CYS 192 -8.185 -6.633 -1.839 639 1HB CYS 192 2HB CYS 192 -8.074 -8.869 -1.474 640 2HB CYS 192 1HB CYS 192 -8.525 -8.722 0.213 641 H CYS 193 H CYS 193 -10.401 -7.200 -2.516 642 HA CYS 193 HA CYS 193 -12.516 -6.393 -2.872 643 1HB CYS 193 2HB CYS 193 -13.553 -6.701 -0.284 644 2HB CYS 193 1HB CYS 193 -13.500 -7.914 -1.555 645 HA PRO 194 HA PRO 194 -12.084 -2.177 -1.064 646 1HB PRO 194 2HB PRO 194 -12.005 -0.790 -3.356 647 2HB PRO 194 1HB PRO 194 -10.573 -1.609 -2.724 648 1HG PRO 194 2HG PRO 194 -12.403 -2.419 -4.933 649 2HG PRO 194 1HG PRO 194 -10.647 -2.606 -4.804 650 1HD PRO 194 2HD PRO 194 -12.532 -4.595 -4.294 651 2HD PRO 194 1HD PRO 194 -10.843 -4.612 -3.754 652 H ASP 195 H ASP 195 -14.045 -3.093 -3.890 653 HA ASP 195 HA ASP 195 -15.990 -1.205 -3.916 654 1HB ASP 195 2HB ASP 195 -16.073 -4.154 -4.439 655 2HB ASP 195 1HB ASP 195 -17.565 -3.215 -4.509 656 H THR 196 H THR 196 -16.711 -0.324 -2.040 657 HA THR 196 HA THR 196 -18.586 -1.920 -0.471 658 HB THR 196 HB THR 196 -17.474 -0.878 1.647 659 HG1 THR 196 1HG THR 196 -15.920 0.356 0.553 660 1HG2 THR 196 1HG2 THR 196 -16.230 -3.194 0.192 661 2HG2 THR 196 2HG2 THR 196 -17.528 -3.251 1.385 662 3HG2 THR 196 3HG2 THR 196 -15.901 -2.775 1.872 663 HA PRO 197 HA PRO 197 -19.653 2.654 -0.855 664 1HB PRO 197 2HB PRO 197 -21.394 2.196 -3.092 665 2HB PRO 197 1HB PRO 197 -19.941 3.195 -3.048 666 1HG PRO 197 2HG PRO 197 -20.209 0.860 -4.501 667 2HG PRO 197 1HG PRO 197 -18.666 1.581 -4.014 668 1HD PRO 197 2HD PRO 197 -20.166 -0.698 -2.798 669 2HD PRO 197 1HD PRO 197 -18.418 -0.468 -2.993 670 H TYR 198 H TYR 198 -20.633 -0.248 -0.166 671 HA TYR 198 HA TYR 198 -23.470 -0.092 -0.040 672 1HB TYR 198 2HB TYR 198 -21.875 -2.130 -0.296 673 2HB TYR 198 1HB TYR 198 -21.700 -2.017 1.456 674 HD1 TYR 198 1HD TYR 198 -23.120 -3.322 2.740 675 HD2 TYR 198 2HD TYR 198 -24.430 -2.067 -1.108 676 HE1 TYR 198 1HE TYR 198 -25.189 -4.622 3.026 677 HE2 TYR 198 2HE TYR 198 -26.501 -3.363 -0.833 678 HH TYR 198 HH TYR 198 -27.358 -5.218 0.437
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