NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21863 | 2ida | 7297 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 -0.933 -0.389 -0.354 2 2H MET 1 HT2 MET 1 -1.009 -0.240 -2.041 3 3H MET 1 HT3 MET 1 -0.930 1.149 -1.072 4 HA MET 1 HA MET 1 1.195 0.783 -2.043 5 1HB MET 1 HB2 MET 1 1.053 1.578 0.317 6 2HB MET 1 HB1 MET 1 1.258 -0.086 0.846 7 1HG MET 1 HG2 MET 1 3.450 -0.172 -0.175 8 2HG MET 1 HG1 MET 1 3.243 1.464 -0.799 9 1HE MET 1 HE1 MET 1 5.964 1.997 1.923 10 2HE MET 1 HE2 MET 1 5.504 2.263 0.241 11 3HE MET 1 HE3 MET 1 5.789 0.625 0.830 12 H THR 2 HN THR 2 0.349 -2.022 -0.009 13 HA THR 2 HA THR 2 1.420 -3.800 -2.034 14 HB THR 2 HB THR 2 2.512 -3.867 0.797 15 HG1 THR 2 HG1 THR 2 4.095 -2.670 0.069 16 1HG2 THR 2 HG21 THR 2 4.015 -5.606 -0.056 17 2HG2 THR 2 HG22 THR 2 3.216 -5.529 -1.627 18 3HG2 THR 2 HG23 THR 2 2.326 -6.089 -0.210 19 H MET 3 HN MET 3 0.464 -5.841 -1.946 20 HA MET 3 HA MET 3 -1.984 -6.138 -0.606 21 1HB MET 3 HB2 MET 3 -0.166 -8.291 -1.709 22 2HB MET 3 HB1 MET 3 -1.849 -8.520 -1.259 23 1HG MET 3 HG2 MET 3 -2.529 -6.933 -2.984 24 2HG MET 3 HG1 MET 3 -0.841 -6.703 -3.435 25 1HE MET 3 HE1 MET 3 -1.218 -7.297 -5.947 26 2HE MET 3 HE2 MET 3 -2.947 -7.425 -5.620 27 3HE MET 3 HE3 MET 3 -2.118 -8.708 -6.501 28 H GLY 4 HN GLY 4 -2.399 -6.502 1.462 29 1HA GLY 4 HA2 GLY 4 -0.293 -7.050 3.315 30 2HA GLY 4 HA1 GLY 4 -2.001 -6.901 3.694 31 H CYS 5 HN CYS 5 0.506 -8.938 3.879 32 HA CYS 5 HA CYS 5 -0.553 -11.440 3.160 33 1HB CYS 5 HB2 CYS 5 1.131 -12.361 4.729 34 2HB CYS 5 HB1 CYS 5 1.812 -11.145 3.653 35 H ARG 6 HN ARG 6 -1.126 -13.180 4.814 36 HA ARG 6 HA ARG 6 -3.489 -12.555 6.087 37 1HB ARG 6 HB2 ARG 6 -3.451 -14.744 7.083 38 2HB ARG 6 HB1 ARG 6 -2.816 -14.842 5.451 39 1HG ARG 6 HG2 ARG 6 -1.057 -14.699 7.886 40 2HG ARG 6 HG1 ARG 6 -1.635 -16.215 7.200 41 1HD ARG 6 HD2 ARG 6 0.075 -14.150 5.819 42 2HD ARG 6 HD1 ARG 6 0.601 -15.727 6.404 43 HE ARG 6 HE ARG 6 -1.464 -16.238 4.650 44 1HH1 ARG 6 HH11 ARG 6 1.717 -14.759 4.511 45 2HH1 ARG 6 HH12 ARG 6 1.929 -15.088 2.820 46 1HH2 ARG 6 HH21 ARG 6 -1.171 -16.685 2.422 47 2HH2 ARG 6 HH22 ARG 6 0.285 -16.155 1.629 48 H HIS 7 HN HIS 7 -0.299 -12.104 7.326 49 HA HIS 7 HA HIS 7 -0.825 -12.095 10.085 50 1HB HIS 7 HB2 HIS 7 1.218 -10.616 8.431 51 2HB HIS 7 HB1 HIS 7 1.154 -10.491 10.184 52 HD2 HIS 7 HD2 HIS 7 1.179 -13.307 11.324 53 HE1 HIS 7 HE1 HIS 7 4.062 -14.317 8.405 54 HE2 HIS 7 HE2 HIS 7 2.899 -15.076 10.520 55 H VAL 8 HN VAL 8 -1.486 -9.739 7.598 56 HA VAL 8 HA VAL 8 -1.773 -7.464 9.280 57 HB VAL 8 HB VAL 8 -3.150 -7.895 6.633 58 1HG1 VAL 8 HG11 VAL 8 -2.248 -5.382 8.026 59 2HG1 VAL 8 HG12 VAL 8 -3.913 -5.943 7.870 60 3HG1 VAL 8 HG13 VAL 8 -3.006 -5.467 6.435 61 1HG2 VAL 8 HG21 VAL 8 -1.188 -6.892 5.594 62 2HG2 VAL 8 HG22 VAL 8 -0.816 -8.425 6.383 63 3HG2 VAL 8 HG23 VAL 8 -0.368 -6.904 7.155 64 H ALA 9 HN ALA 9 -3.835 -10.103 8.402 65 HA ALA 9 HA ALA 9 -6.296 -8.856 8.942 66 1HB ALA 9 HB1 ALA 9 -6.134 -10.872 7.583 67 2HB ALA 9 HB2 ALA 9 -7.233 -11.116 8.940 68 3HB ALA 9 HB3 ALA 9 -5.604 -11.790 8.993 69 H GLY 10 HN GLY 10 -3.819 -9.817 11.014 70 1HA GLY 10 HA2 GLY 10 -5.693 -10.135 13.272 71 2HA GLY 10 HA1 GLY 10 -4.102 -10.875 13.203 72 H ILE 11 HN ILE 11 -3.950 -7.760 11.948 73 HA ILE 11 HA ILE 11 -2.898 -6.789 14.511 74 HB ILE 11 HB ILE 11 -1.725 -5.050 13.272 75 1HG1 ILE 11 HG12 ILE 11 -2.797 -6.354 10.762 76 2HG1 ILE 11 HG11 ILE 11 -3.388 -4.834 11.424 77 1HG2 ILE 11 HG21 ILE 11 -0.111 -6.468 12.112 78 2HG2 ILE 11 HG22 ILE 11 -1.272 -7.795 12.119 79 3HG2 ILE 11 HG23 ILE 11 -0.623 -7.185 13.641 80 1HD1 ILE 11 HD11 ILE 11 -0.591 -5.361 10.446 81 2HD1 ILE 11 HD12 ILE 11 -1.187 -3.835 11.100 82 3HD1 ILE 11 HD13 ILE 11 -1.843 -4.463 9.589 83 H ARG 12 HN ARG 12 -3.483 -4.769 15.336 84 HA ARG 12 HA ARG 12 -5.895 -3.562 14.162 85 1HB ARG 12 HB2 ARG 12 -6.880 -3.362 16.410 86 2HB ARG 12 HB1 ARG 12 -6.644 -5.044 15.948 87 1HG ARG 12 HG2 ARG 12 -5.115 -5.415 17.558 88 2HG ARG 12 HG1 ARG 12 -4.431 -3.793 17.435 89 1HD ARG 12 HD2 ARG 12 -5.495 -4.074 19.581 90 2HD ARG 12 HD1 ARG 12 -6.388 -2.901 18.618 91 HE ARG 12 HE ARG 12 -7.774 -5.103 18.100 92 1HH1 ARG 12 HH11 ARG 12 -6.549 -3.803 21.101 93 2HH1 ARG 12 HH12 ARG 12 -7.755 -4.575 22.088 94 1HH2 ARG 12 HH21 ARG 12 -9.409 -6.086 19.374 95 2HH2 ARG 12 HH22 ARG 12 -9.398 -5.859 21.094 96 H THR 13 HN THR 13 -6.421 -1.525 15.705 97 HA THR 13 HA THR 13 -4.029 0.123 15.723 98 HB THR 13 HB THR 13 -6.874 0.840 16.476 99 HG1 THR 13 HG1 THR 13 -7.200 1.178 14.390 100 1HG2 THR 13 HG21 THR 13 -6.133 3.155 16.124 101 2HG2 THR 13 HG22 THR 13 -4.492 2.584 15.820 102 3HG2 THR 13 HG23 THR 13 -5.216 2.379 17.415 103 H VAL 14 HN VAL 14 -2.816 0.453 17.462 104 HA VAL 14 HA VAL 14 -3.836 -0.534 20.042 105 HB VAL 14 HB VAL 14 -1.496 -1.148 20.579 106 1HG1 VAL 14 HG11 VAL 14 -3.020 -2.834 19.720 107 2HG1 VAL 14 HG12 VAL 14 -1.390 -3.119 19.111 108 3HG1 VAL 14 HG13 VAL 14 -2.608 -2.391 18.064 109 1HG2 VAL 14 HG21 VAL 14 -0.972 -0.451 17.687 110 2HG2 VAL 14 HG22 VAL 14 0.167 -1.241 18.779 111 3HG2 VAL 14 HG23 VAL 14 -0.352 0.415 19.093 112 H THR 15 HN THR 15 -2.037 0.253 21.789 113 HA THR 15 HA THR 15 -1.725 3.160 21.422 114 HB THR 15 HB THR 15 -2.367 1.757 24.025 115 HG1 THR 15 HG1 THR 15 -3.970 2.327 22.005 116 1HG2 THR 15 HG21 THR 15 -1.119 3.857 24.293 117 2HG2 THR 15 HG22 THR 15 -2.777 4.020 24.870 118 3HG2 THR 15 HG23 THR 15 -2.318 4.695 23.307 119 HA PRO 16 HA PRO 16 2.583 2.201 22.060 120 1HB PRO 16 HB2 PRO 16 2.793 5.096 22.618 121 2HB PRO 16 HB1 PRO 16 3.607 4.126 21.386 122 1HG PRO 16 HG2 PRO 16 1.658 5.826 20.730 123 2HG PRO 16 HG1 PRO 16 1.825 4.260 19.914 124 1HD PRO 16 HD2 PRO 16 -0.081 5.078 22.075 125 2HD PRO 16 HD1 PRO 16 -0.378 4.099 20.621 126 H SER 17 HN SER 17 3.987 1.965 23.764 127 HA SER 17 HA SER 17 2.824 2.210 26.382 128 1HB SER 17 HB2 SER 17 4.203 0.243 25.602 129 2HB SER 17 HB1 SER 17 5.619 1.292 25.683 130 HG SER 17 HG SER 17 5.531 0.281 27.627 131 H ALA 18 HN ALA 18 5.248 3.885 24.496 132 HA ALA 18 HA ALA 18 5.415 5.905 26.611 133 1HB ALA 18 HB1 ALA 18 7.839 6.079 26.363 134 2HB ALA 18 HB2 ALA 18 7.823 4.728 25.228 135 3HB ALA 18 HB3 ALA 18 7.367 4.470 26.912 136 H LEU 19 HN LEU 19 7.135 7.655 25.496 137 HA LEU 19 HA LEU 19 5.660 8.596 23.161 138 1HB LEU 19 HB2 LEU 19 7.886 9.951 24.681 139 2HB LEU 19 HB1 LEU 19 6.785 10.698 23.540 140 HG LEU 19 HG LEU 19 5.923 9.505 26.172 141 1HD1 LEU 19 HD11 LEU 19 5.773 11.813 26.954 142 2HD1 LEU 19 HD12 LEU 19 6.474 12.371 25.433 143 3HD1 LEU 19 HD13 LEU 19 7.428 11.373 26.530 144 1HD2 LEU 19 HD21 LEU 19 3.867 10.764 25.764 145 2HD2 LEU 19 HD22 LEU 19 4.167 9.597 24.475 146 3HD2 LEU 19 HD23 LEU 19 4.504 11.308 24.212 147 H GLY 20 HN GLY 20 7.998 6.519 23.510 148 1HA GLY 20 HA2 GLY 20 9.028 6.694 20.911 149 2HA GLY 20 HA1 GLY 20 10.199 7.392 22.026 150 H CYS 21 HN CYS 21 11.646 5.659 21.475 151 HA CYS 21 HA CYS 21 10.965 2.945 21.980 152 1HB CYS 21 HB2 CYS 21 12.809 3.615 20.469 153 2HB CYS 21 HB1 CYS 21 13.703 4.229 21.855 154 HG CYS 21 HG CYS 21 15.042 2.025 21.863 155 H GLU 22 HN GLU 22 10.399 2.279 23.915 156 HA GLU 22 HA GLU 22 10.816 3.616 26.312 157 1HB GLU 22 HB2 GLU 22 10.320 0.651 25.968 158 2HB GLU 22 HB1 GLU 22 9.989 1.602 27.407 159 1HG GLU 22 HG2 GLU 22 7.899 1.492 26.523 160 2HG GLU 22 HG1 GLU 22 8.467 2.970 25.755 161 H GLU 23 HN GLU 23 12.673 1.012 24.838 162 HA GLU 23 HA GLU 23 14.332 0.471 27.051 163 1HB GLU 23 HB2 GLU 23 13.979 -0.599 24.528 164 2HB GLU 23 HB1 GLU 23 15.603 0.069 24.453 165 1HG GLU 23 HG2 GLU 23 15.723 -2.224 25.128 166 2HG GLU 23 HG1 GLU 23 16.184 -1.200 26.487 167 H CYS 24 HN CYS 24 14.729 2.655 24.277 168 HA CYS 24 HA CYS 24 17.340 3.499 24.997 169 1HB CYS 24 HB2 CYS 24 15.263 4.917 23.316 170 2HB CYS 24 HB1 CYS 24 16.977 5.320 23.386 171 HG CYS 24 HG CYS 24 17.631 3.804 21.433 172 H LEU 25 HN LEU 25 14.116 4.551 25.846 173 HA LEU 25 HA LEU 25 14.837 7.003 27.063 174 1HB LEU 25 HB2 LEU 25 12.446 5.214 27.490 175 2HB LEU 25 HB1 LEU 25 12.611 6.818 28.179 176 HG LEU 25 HG LEU 25 12.550 6.212 25.221 177 1HD1 LEU 25 HD11 LEU 25 10.398 5.771 26.281 178 2HD1 LEU 25 HD12 LEU 25 10.324 7.211 25.265 179 3HD1 LEU 25 HD13 LEU 25 10.426 7.372 27.019 180 1HD2 LEU 25 HD21 LEU 25 13.841 8.208 25.771 181 2HD2 LEU 25 HD22 LEU 25 12.489 8.830 26.717 182 3HD2 LEU 25 HD23 LEU 25 12.326 8.632 24.972 183 H LYS 26 HN LYS 26 15.060 3.712 28.118 184 HA LYS 26 HA LYS 26 14.923 4.219 30.921 185 1HB LYS 26 HB2 LYS 26 15.264 1.963 31.209 186 2HB LYS 26 HB1 LYS 26 14.678 1.971 29.553 187 1HG LYS 26 HG2 LYS 26 17.153 2.064 28.884 188 2HG LYS 26 HG1 LYS 26 17.478 1.594 30.553 189 1HD LYS 26 HD2 LYS 26 15.790 0.071 28.568 190 2HD LYS 26 HD1 LYS 26 17.422 -0.352 29.088 191 1HE LYS 26 HE2 LYS 26 16.640 -0.696 31.356 192 2HE LYS 26 HE1 LYS 26 15.015 -0.186 30.894 193 1HZ LYS 26 HZ1 LYS 26 16.453 -2.578 29.878 194 2HZ LYS 26 HZ2 LYS 26 14.921 -2.070 29.357 195 3HZ LYS 26 HZ3 LYS 26 15.150 -2.579 30.961 196 H ILE 27 HN ILE 27 17.365 4.604 28.547 197 HA ILE 27 HA ILE 27 19.353 5.072 30.673 198 HB ILE 27 HB ILE 27 21.106 4.604 28.952 199 1HG1 ILE 27 HG12 ILE 27 18.742 3.575 27.364 200 2HG1 ILE 27 HG11 ILE 27 19.770 4.935 26.936 201 1HG2 ILE 27 HG21 ILE 27 20.925 2.175 29.114 202 2HG2 ILE 27 HG22 ILE 27 19.230 2.329 29.575 203 3HG2 ILE 27 HG23 ILE 27 20.493 2.953 30.637 204 1HD1 ILE 27 HD11 ILE 27 21.663 3.437 26.664 205 2HD1 ILE 27 HD12 ILE 27 20.311 2.947 25.643 206 3HD1 ILE 27 HD13 ILE 27 20.656 2.068 27.132 207 H GLY 28 HN GLY 28 17.320 6.678 28.853 208 1HA GLY 28 HA2 GLY 28 17.199 8.820 28.043 209 2HA GLY 28 HA1 GLY 28 18.616 9.149 29.029 210 H SER 29 HN SER 29 18.209 7.011 26.229 211 HA SER 29 HA SER 29 20.375 8.516 24.927 212 1HB SER 29 HB2 SER 29 19.688 5.576 24.759 213 2HB SER 29 HB1 SER 29 20.906 6.368 23.762 214 HG SER 29 HG SER 29 21.046 6.714 26.531 215 HA PRO 30 HA PRO 30 17.590 9.485 21.682 216 1HB PRO 30 HB2 PRO 30 19.341 9.978 19.684 217 2HB PRO 30 HB1 PRO 30 19.155 11.058 21.070 218 1HG PRO 30 HG2 PRO 30 21.237 8.970 20.562 219 2HG PRO 30 HG1 PRO 30 21.432 10.612 21.203 220 1HD PRO 30 HD2 PRO 30 21.384 8.405 22.785 221 2HD PRO 30 HD1 PRO 30 20.803 9.992 23.325 222 H TRP 31 HN TRP 31 16.967 8.887 19.477 223 HA TRP 31 HA TRP 31 17.937 6.265 18.599 224 1HB TRP 31 HB2 TRP 31 15.596 5.593 18.085 225 2HB TRP 31 HB1 TRP 31 15.880 5.806 19.808 226 HD1 TRP 31 HD1 TRP 31 14.280 7.742 16.846 227 HE1 TRP 31 HE1 TRP 31 12.388 9.212 17.789 228 HE3 TRP 31 HE3 TRP 31 14.910 6.772 21.827 229 HZ2 TRP 31 HZ2 TRP 31 11.304 9.864 20.314 230 HZ3 TRP 31 HZ3 TRP 31 13.402 7.856 23.439 231 HH2 TRP 31 HH2 TRP 31 11.637 9.369 22.698 232 H VAL 32 HN VAL 32 17.229 5.808 16.318 233 HA VAL 32 HA VAL 32 17.445 8.244 14.744 234 HB VAL 32 HB VAL 32 17.414 5.376 13.780 235 1HG1 VAL 32 HG11 VAL 32 16.801 6.979 12.054 236 2HG1 VAL 32 HG12 VAL 32 18.399 6.305 11.737 237 3HG1 VAL 32 HG13 VAL 32 18.244 7.929 12.407 238 1HG2 VAL 32 HG21 VAL 32 19.848 5.594 13.600 239 2HG2 VAL 32 HG22 VAL 32 19.307 5.774 15.269 240 3HG2 VAL 32 HG23 VAL 32 19.757 7.197 14.330 241 H HIS 33 HN HIS 33 15.437 5.290 14.484 242 HA HIS 33 HA HIS 33 13.076 6.980 14.221 243 1HB HIS 33 HB2 HIS 33 13.865 4.907 12.161 244 2HB HIS 33 HB1 HIS 33 12.257 5.616 12.276 245 HD1 HIS 33 HD1 HIS 33 12.372 8.428 12.174 246 HD2 HIS 33 HD2 HIS 33 15.457 6.235 10.434 247 HE1 HIS 33 HE1 HIS 33 13.505 9.995 10.567 248 HE2 HIS 33 HE2 HIS 33 15.491 8.712 9.691 249 H LEU 34 HN LEU 34 11.041 5.577 14.258 250 HA LEU 34 HA LEU 34 11.499 3.477 16.270 251 1HB LEU 34 HB2 LEU 34 9.323 5.562 16.207 252 2HB LEU 34 HB1 LEU 34 9.424 4.251 17.366 253 HG LEU 34 HG LEU 34 11.462 6.458 17.070 254 1HD1 LEU 34 HD11 LEU 34 9.328 6.015 19.152 255 2HD1 LEU 34 HD12 LEU 34 9.341 7.288 17.931 256 3HD1 LEU 34 HD13 LEU 34 10.570 7.267 19.197 257 1HD2 LEU 34 HD21 LEU 34 12.431 4.371 17.874 258 2HD2 LEU 34 HD22 LEU 34 11.185 4.260 19.117 259 3HD2 LEU 34 HD23 LEU 34 12.363 5.571 19.165 260 H ARG 35 HN ARG 35 10.357 1.668 16.162 261 HA ARG 35 HA ARG 35 8.188 1.457 14.179 262 1HB ARG 35 HB2 ARG 35 10.229 -0.648 14.934 263 2HB ARG 35 HB1 ARG 35 8.876 -0.893 13.839 264 1HG ARG 35 HG2 ARG 35 9.818 0.718 12.282 265 2HG ARG 35 HG1 ARG 35 11.160 1.019 13.392 266 1HD ARG 35 HD2 ARG 35 11.884 -1.285 13.186 267 2HD ARG 35 HD1 ARG 35 10.501 -1.653 12.158 268 HE ARG 35 HE ARG 35 11.963 0.451 10.997 269 1HH1 ARG 35 HH11 ARG 35 12.207 -2.985 11.649 270 2HH1 ARG 35 HH12 ARG 35 13.287 -3.294 10.316 271 1HH2 ARG 35 HH21 ARG 35 13.406 0.052 9.254 272 2HH2 ARG 35 HH22 ARG 35 13.981 -1.564 8.972 273 H ILE 36 HN ILE 36 6.307 1.022 15.128 274 HA ILE 36 HA ILE 36 6.332 -0.282 17.775 275 HB ILE 36 HB ILE 36 5.421 1.973 17.863 276 1HG1 ILE 36 HG12 ILE 36 3.251 -0.126 18.069 277 2HG1 ILE 36 HG11 ILE 36 4.406 0.295 19.328 278 1HG2 ILE 36 HG21 ILE 36 3.402 2.600 16.625 279 2HG2 ILE 36 HG22 ILE 36 3.445 1.052 15.782 280 3HG2 ILE 36 HG23 ILE 36 4.744 2.220 15.545 281 1HD1 ILE 36 HD11 ILE 36 2.292 2.112 18.196 282 2HD1 ILE 36 HD12 ILE 36 3.444 2.529 19.466 283 3HD1 ILE 36 HD13 ILE 36 2.230 1.282 19.750 284 H CYS 37 HN CYS 37 5.146 -2.144 18.070 285 HA CYS 37 HA CYS 37 4.292 -3.622 15.802 286 1HB CYS 37 HB2 CYS 37 3.484 -4.032 18.680 287 2HB CYS 37 HB1 CYS 37 3.266 -5.186 17.379 288 H ARG 38 HN ARG 38 2.246 -4.051 15.015 289 HA ARG 38 HA ARG 38 0.093 -2.274 15.827 290 1HB ARG 38 HB2 ARG 38 0.236 -4.437 13.715 291 2HB ARG 38 HB1 ARG 38 -1.158 -3.402 13.986 292 1HG ARG 38 HG2 ARG 38 1.583 -2.499 13.122 293 2HG ARG 38 HG1 ARG 38 0.148 -2.617 12.103 294 1HD ARG 38 HD2 ARG 38 0.618 -0.751 14.419 295 2HD ARG 38 HD1 ARG 38 0.399 -0.329 12.721 296 HE ARG 38 HE ARG 38 -1.787 -1.656 14.156 297 1HH1 ARG 38 HH11 ARG 38 -0.523 1.196 12.550 298 2HH1 ARG 38 HH12 ARG 38 -2.060 1.994 12.530 299 1HH2 ARG 38 HH21 ARG 38 -3.793 -0.590 14.106 300 2HH2 ARG 38 HH22 ARG 38 -3.907 1.000 13.411 301 H THR 39 HN THR 39 1.183 -4.366 17.614 302 HA THR 39 HA THR 39 -1.248 -5.952 18.065 303 HB THR 39 HB THR 39 1.469 -7.068 18.686 304 HG1 THR 39 HG1 THR 39 0.184 -7.742 16.267 305 1HG2 THR 39 HG21 THR 39 -1.185 -8.332 17.992 306 2HG2 THR 39 HG22 THR 39 -0.500 -8.186 19.611 307 3HG2 THR 39 HG23 THR 39 0.293 -9.201 18.406 308 H CYS 40 HN CYS 40 1.882 -5.597 19.771 309 HA CYS 40 HA CYS 40 0.458 -5.504 22.285 310 1HB CYS 40 HB2 CYS 40 2.566 -5.817 23.356 311 2HB CYS 40 HB1 CYS 40 2.574 -6.842 21.927 312 H GLY 41 HN GLY 41 1.725 -3.212 20.102 313 1HA GLY 41 HA2 GLY 41 1.590 -0.910 20.189 314 2HA GLY 41 HA1 GLY 41 0.914 -1.058 21.801 315 H HIS 42 HN HIS 42 3.873 -2.692 21.435 316 HA HIS 42 HA HIS 42 5.186 -0.677 23.069 317 1HB HIS 42 HB2 HIS 42 5.223 -3.282 23.417 318 2HB HIS 42 HB1 HIS 42 6.498 -3.232 22.207 319 HD1 HIS 42 HD1 HIS 42 5.687 -2.057 25.679 320 HD2 HIS 42 HD2 HIS 42 8.963 -2.365 23.136 321 HE1 HIS 42 HE1 HIS 42 7.705 -1.596 27.113 322 HE2 HIS 42 HE2 HIS 42 9.674 -1.709 25.543 323 H VAL 43 HN VAL 43 7.055 0.395 22.475 324 HA VAL 43 HA VAL 43 7.352 0.627 19.566 325 HB VAL 43 HB VAL 43 8.509 2.504 21.624 326 1HG1 VAL 43 HG11 VAL 43 8.314 4.155 19.837 327 2HG1 VAL 43 HG12 VAL 43 7.625 2.929 18.774 328 3HG1 VAL 43 HG13 VAL 43 9.291 2.777 19.330 329 1HG2 VAL 43 HG21 VAL 43 5.738 2.655 20.443 330 2HG2 VAL 43 HG22 VAL 43 6.490 3.850 21.500 331 3HG2 VAL 43 HG23 VAL 43 6.120 2.238 22.113 332 H GLY 44 HN GLY 44 9.588 1.079 18.752 333 1HA GLY 44 HA2 GLY 44 11.857 0.470 20.359 334 2HA GLY 44 HA1 GLY 44 11.437 -0.880 19.311 335 H CYS 45 HN CYS 45 13.789 0.956 19.323 336 HA CYS 45 HA CYS 45 13.567 2.536 16.962 337 1HB CYS 45 HB2 CYS 45 16.118 2.540 17.131 338 2HB CYS 45 HB1 CYS 45 15.230 3.232 18.484 339 HG CYS 45 HG CYS 45 17.090 1.970 19.869 340 H CYS 46 HN CYS 46 14.384 2.129 14.920 341 HA CYS 46 HA CYS 46 13.897 -0.469 13.946 342 1HB CYS 46 HB2 CYS 46 14.787 0.496 11.787 343 2HB CYS 46 HB1 CYS 46 13.462 1.391 12.523 344 HG CYS 46 HG CYS 46 15.614 2.988 11.314 345 H ASP 47 HN ASP 47 15.487 -1.600 12.435 346 HA ASP 47 HA ASP 47 17.801 -2.344 13.935 347 1HB ASP 47 HB2 ASP 47 18.258 -3.902 12.138 348 2HB ASP 47 HB1 ASP 47 16.536 -3.933 12.497 349 H ASP 48 HN ASP 48 17.120 0.016 11.579 350 HA ASP 48 HA ASP 48 19.707 0.486 10.556 351 1HB ASP 48 HB2 ASP 48 17.656 1.453 9.570 352 2HB ASP 48 HB1 ASP 48 17.443 2.452 11.004 353 H SER 49 HN SER 49 18.139 1.242 13.553 354 HA SER 49 HA SER 49 20.263 2.985 14.475 355 1HB SER 49 HB2 SER 49 18.018 1.711 16.066 356 2HB SER 49 HB1 SER 49 19.005 3.092 16.545 357 HG SER 49 HG SER 49 17.770 3.436 14.128 358 HA PRO 50 HA PRO 50 22.927 -0.294 15.767 359 1HB PRO 50 HB2 PRO 50 24.160 0.938 17.894 360 2HB PRO 50 HB1 PRO 50 24.586 1.204 16.202 361 1HG PRO 50 HG2 PRO 50 22.873 2.857 18.007 362 2HG PRO 50 HG1 PRO 50 24.070 3.379 16.807 363 1HD PRO 50 HD2 PRO 50 21.426 3.468 16.311 364 2HD PRO 50 HD1 PRO 50 22.607 3.092 15.039 365 H HIS 51 HN HIS 51 20.632 1.118 17.939 366 HA HIS 51 HA HIS 51 21.099 -0.668 20.129 367 1HB HIS 51 HB2 HIS 51 19.949 1.695 20.074 368 2HB HIS 51 HB1 HIS 51 18.500 0.768 19.719 369 HD1 HIS 51 HD1 HIS 51 20.175 2.209 22.462 370 HD2 HIS 51 HD2 HIS 51 18.252 -1.429 21.853 371 HE1 HIS 51 HE1 HIS 51 19.564 1.371 24.753 372 HE2 HIS 51 HE2 HIS 51 18.637 -0.942 24.368 373 H LYS 52 HN LYS 52 18.939 -0.567 17.361 374 HA LYS 52 HA LYS 52 17.463 -2.046 16.461 375 1HB LYS 52 HB2 LYS 52 19.461 -3.989 17.620 376 2HB LYS 52 HB1 LYS 52 18.224 -4.410 16.449 377 1HG LYS 52 HG2 LYS 52 19.244 -2.816 14.860 378 2HG LYS 52 HG1 LYS 52 20.533 -2.528 16.032 379 1HD LYS 52 HD2 LYS 52 21.186 -4.850 15.945 380 2HD LYS 52 HD1 LYS 52 19.824 -5.225 14.889 381 1HE LYS 52 HE2 LYS 52 20.777 -3.723 13.180 382 2HE LYS 52 HE1 LYS 52 22.167 -3.446 14.231 383 1HZ LYS 52 HZ1 LYS 52 22.809 -5.702 14.053 384 2HZ LYS 52 HZ2 LYS 52 22.475 -5.181 12.470 385 3HZ LYS 52 HZ3 LYS 52 21.352 -6.141 13.304 386 H HIS 53 HN HIS 53 16.138 -1.213 18.544 387 HA HIS 53 HA HIS 53 15.610 -3.305 20.444 388 1HB HIS 53 HB2 HIS 53 15.370 -0.853 20.972 389 2HB HIS 53 HB1 HIS 53 13.923 -0.844 19.965 390 HD1 HIS 53 HD1 HIS 53 11.932 -0.840 21.482 391 HD2 HIS 53 HD2 HIS 53 14.971 -3.299 22.896 392 HE1 HIS 53 HE1 HIS 53 11.037 -1.880 23.578 393 HE2 HIS 53 HE2 HIS 53 12.983 -3.162 24.542 394 H ALA 54 HN ALA 54 14.116 -2.130 17.497 395 HA ALA 54 HA ALA 54 11.629 -3.435 17.831 396 1HB ALA 54 HB1 ALA 54 12.976 -2.556 15.282 397 2HB ALA 54 HB2 ALA 54 11.939 -1.559 16.302 398 3HB ALA 54 HB3 ALA 54 11.271 -2.963 15.469 399 H THR 55 HN THR 55 14.672 -4.456 16.364 400 HA THR 55 HA THR 55 13.553 -6.789 15.147 401 HB THR 55 HB THR 55 16.007 -7.417 14.860 402 HG1 THR 55 HG1 THR 55 17.448 -6.190 15.795 403 1HG2 THR 55 HG21 THR 55 14.706 -6.339 13.095 404 2HG2 THR 55 HG22 THR 55 16.360 -5.727 13.118 405 3HG2 THR 55 HG23 THR 55 15.053 -4.757 13.795 406 H ARG 56 HN ARG 56 15.600 -6.220 18.010 407 HA ARG 56 HA ARG 56 15.735 -8.921 18.803 408 1HB ARG 56 HB2 ARG 56 15.979 -6.386 20.427 409 2HB ARG 56 HB1 ARG 56 16.298 -7.992 21.068 410 1HG ARG 56 HG2 ARG 56 18.046 -8.276 19.325 411 2HG ARG 56 HG1 ARG 56 17.782 -6.595 18.854 412 1HD ARG 56 HD2 ARG 56 18.376 -5.871 21.115 413 2HD ARG 56 HD1 ARG 56 18.638 -7.551 21.585 414 HE ARG 56 HE ARG 56 20.207 -6.494 19.359 415 1HH1 ARG 56 HH11 ARG 56 20.070 -7.513 22.710 416 2HH1 ARG 56 HH12 ARG 56 21.797 -7.586 22.889 417 1HH2 ARG 56 HH21 ARG 56 22.464 -6.613 19.576 418 2HH2 ARG 56 HH22 ARG 56 23.160 -7.120 21.091 419 H HIS 57 HN HIS 57 13.443 -6.345 19.531 420 HA HIS 57 HA HIS 57 11.892 -7.754 21.410 421 1HB HIS 57 HB2 HIS 57 11.628 -5.372 21.213 422 2HB HIS 57 HB1 HIS 57 11.180 -5.506 19.517 423 HD1 HIS 57 HD1 HIS 57 9.752 -5.616 22.947 424 HD2 HIS 57 HD2 HIS 57 8.586 -6.516 19.057 425 HE1 HIS 57 HE1 HIS 57 7.227 -5.869 22.989 426 H PHE 58 HN PHE 58 11.693 -7.524 17.873 427 HA PHE 58 HA PHE 58 9.347 -8.976 17.488 428 1HB PHE 58 HB2 PHE 58 10.195 -7.915 15.578 429 2HB PHE 58 HB1 PHE 58 11.803 -8.594 15.799 430 HD1 PHE 58 HD1 PHE 58 8.359 -10.040 15.488 431 HD2 PHE 58 HD2 PHE 58 12.375 -10.007 14.116 432 HE1 PHE 58 HE1 PHE 58 7.833 -11.855 13.914 433 HE2 PHE 58 HE2 PHE 58 11.865 -11.822 12.539 434 HZ PHE 58 HZ PHE 58 9.588 -12.751 12.438 435 H HIS 59 HN HIS 59 12.694 -10.151 17.699 436 HA HIS 59 HA HIS 59 12.038 -12.880 17.339 437 1HB HIS 59 HB2 HIS 59 14.295 -12.078 16.952 438 2HB HIS 59 HB1 HIS 59 14.442 -11.574 18.631 439 HD1 HIS 59 HD1 HIS 59 15.566 -13.183 20.123 440 HD2 HIS 59 HD2 HIS 59 13.985 -15.041 16.754 441 HE1 HIS 59 HE1 HIS 59 16.300 -15.586 20.264 442 HE2 HIS 59 HE2 HIS 59 15.181 -16.725 18.316 443 H ALA 60 HN ALA 60 12.068 -10.792 20.127 444 HA ALA 60 HA ALA 60 12.102 -12.908 22.059 445 1HB ALA 60 HB1 ALA 60 13.025 -10.688 22.538 446 2HB ALA 60 HB2 ALA 60 11.784 -11.155 23.701 447 3HB ALA 60 HB3 ALA 60 11.405 -10.000 22.423 448 H THR 61 HN THR 61 9.594 -10.943 20.543 449 HA THR 61 HA THR 61 7.602 -12.208 22.298 450 HB THR 61 HB THR 61 6.091 -10.344 21.544 451 HG1 THR 61 HG1 THR 61 8.540 -9.270 20.529 452 1HG2 THR 61 HG21 THR 61 8.652 -9.542 22.932 453 2HG2 THR 61 HG22 THR 61 7.251 -10.287 23.701 454 3HG2 THR 61 HG23 THR 61 7.119 -8.671 23.007 455 H GLY 62 HN GLY 62 8.515 -11.787 18.955 456 1HA GLY 62 HA2 GLY 62 7.777 -13.039 17.136 457 2HA GLY 62 HA1 GLY 62 6.522 -13.732 18.154 458 H HIS 63 HN HIS 63 7.288 -10.346 17.397 459 HA HIS 63 HA HIS 63 4.559 -10.084 16.310 460 1HB HIS 63 HB2 HIS 63 6.194 -8.018 17.809 461 2HB HIS 63 HB1 HIS 63 4.658 -7.687 17.014 462 HD2 HIS 63 HD2 HIS 63 3.315 -10.581 18.188 463 HE1 HIS 63 HE1 HIS 63 3.786 -8.534 21.856 464 HE2 HIS 63 HE2 HIS 63 2.747 -10.545 20.716 465 HA PRO 64 HA PRO 64 7.461 -9.481 12.917 466 1HB PRO 64 HB2 PRO 64 5.881 -10.381 10.944 467 2HB PRO 64 HB1 PRO 64 6.633 -11.473 12.114 468 1HG PRO 64 HG2 PRO 64 3.831 -10.423 12.031 469 2HG PRO 64 HG1 PRO 64 4.400 -12.064 12.387 470 1HD PRO 64 HD2 PRO 64 3.689 -10.243 14.307 471 2HD PRO 64 HD1 PRO 64 4.844 -11.563 14.576 472 H ILE 65 HN ILE 65 4.350 -7.964 13.284 473 HA ILE 65 HA ILE 65 4.936 -6.246 10.972 474 HB ILE 65 HB ILE 65 2.295 -6.770 12.335 475 1HG1 ILE 65 HG12 ILE 65 3.342 -7.358 9.557 476 2HG1 ILE 65 HG11 ILE 65 3.011 -8.539 10.819 477 1HG2 ILE 65 HG21 ILE 65 1.303 -5.264 10.679 478 2HG2 ILE 65 HG22 ILE 65 2.910 -4.874 10.066 479 3HG2 ILE 65 HG23 ILE 65 2.456 -4.411 11.706 480 1HD1 ILE 65 HD11 ILE 65 1.263 -8.510 9.130 481 2HD1 ILE 65 HD12 ILE 65 0.967 -6.801 9.456 482 3HD1 ILE 65 HD13 ILE 65 0.639 -8.007 10.701 483 H ILE 66 HN ILE 66 5.651 -4.337 11.303 484 HA ILE 66 HA ILE 66 4.941 -2.918 13.777 485 HB ILE 66 HB ILE 66 7.206 -1.821 13.620 486 1HG1 ILE 66 HG12 ILE 66 8.887 -3.502 12.451 487 2HG1 ILE 66 HG11 ILE 66 7.484 -3.876 11.463 488 1HG2 ILE 66 HG21 ILE 66 6.699 -3.534 15.266 489 2HG2 ILE 66 HG22 ILE 66 8.367 -3.673 14.710 490 3HG2 ILE 66 HG23 ILE 66 7.141 -4.791 14.110 491 1HD1 ILE 66 HD11 ILE 66 8.958 -2.190 10.456 492 2HD1 ILE 66 HD12 ILE 66 8.641 -1.124 11.825 493 3HD1 ILE 66 HD13 ILE 66 7.326 -1.586 10.744 494 H GLU 67 HN GLU 67 4.877 -0.632 13.613 495 HA GLU 67 HA GLU 67 4.560 0.391 10.869 496 1HB GLU 67 HB2 GLU 67 2.391 0.214 11.954 497 2HB GLU 67 HB1 GLU 67 2.992 1.066 13.368 498 1HG GLU 67 HG2 GLU 67 3.234 3.099 12.083 499 2HG GLU 67 HG1 GLU 67 2.742 2.255 10.614 500 H GLY 68 HN GLY 68 5.395 2.426 10.448 501 1HA GLY 68 HA2 GLY 68 7.509 3.358 12.131 502 2HA GLY 68 HA1 GLY 68 6.909 4.150 10.678 503 H TYR 69 HN TYR 69 7.053 4.274 14.040 504 HA TYR 69 HA TYR 69 4.623 5.861 14.299 505 1HB TYR 69 HB2 TYR 69 5.329 4.074 15.982 506 2HB TYR 69 HB1 TYR 69 6.566 5.213 16.511 507 HD1 TYR 69 HD1 TYR 69 3.109 5.988 15.428 508 HD2 TYR 69 HD2 TYR 69 5.828 5.749 18.691 509 HE1 TYR 69 HE1 TYR 69 1.453 7.079 16.875 510 HE2 TYR 69 HE2 TYR 69 4.177 6.845 20.150 511 HH TYR 69 HH TYR 69 0.900 7.330 19.162 512 H ASP 70 HN ASP 70 8.112 6.205 14.824 513 HA ASP 70 HA ASP 70 8.109 8.936 15.458 514 1HB ASP 70 HB2 ASP 70 10.116 7.849 15.932 515 2HB ASP 70 HB1 ASP 70 10.179 7.069 14.360 516 HA PRO 71 HA PRO 71 7.735 9.880 10.893 517 1HB PRO 71 HB2 PRO 71 8.261 8.002 8.992 518 2HB PRO 71 HB1 PRO 71 9.512 9.017 9.712 519 1HG PRO 71 HG2 PRO 71 9.089 6.162 10.013 520 2HG PRO 71 HG1 PRO 71 10.457 7.145 10.558 521 1HD PRO 71 HD2 PRO 71 8.125 6.192 12.071 522 2HD PRO 71 HD1 PRO 71 9.677 6.816 12.666 523 HA PRO 72 HA PRO 72 3.801 7.504 11.324 524 1HB PRO 72 HB2 PRO 72 2.144 9.625 11.466 525 2HB PRO 72 HB1 PRO 72 3.094 9.077 12.851 526 1HG PRO 72 HG2 PRO 72 3.622 11.339 10.968 527 2HG PRO 72 HG1 PRO 72 3.802 11.285 12.731 528 1HD PRO 72 HD2 PRO 72 5.888 11.010 10.992 529 2HD PRO 72 HD1 PRO 72 5.861 10.287 12.611 530 H GLU 73 HN GLU 73 4.903 7.483 8.879 531 HA GLU 73 HA GLU 73 3.475 8.910 6.880 532 1HB GLU 73 HB2 GLU 73 5.029 6.330 6.689 533 2HB GLU 73 HB1 GLU 73 4.517 7.311 5.324 534 1HG GLU 73 HG2 GLU 73 5.973 9.086 5.971 535 2HG GLU 73 HG1 GLU 73 6.363 8.277 7.490 536 H GLY 74 HN GLY 74 3.060 5.771 8.415 537 1HA GLY 74 HA2 GLY 74 0.910 4.764 8.651 538 2HA GLY 74 HA1 GLY 74 0.396 5.599 7.192 539 H TRP 75 HN TRP 75 3.014 3.354 8.085 540 HA TRP 75 HA TRP 75 2.083 1.545 5.993 541 1HB TRP 75 HB2 TRP 75 4.469 1.135 5.300 542 2HB TRP 75 HB1 TRP 75 3.831 2.711 4.850 543 HD1 TRP 75 HD1 TRP 75 5.055 4.809 5.749 544 HE1 TRP 75 HE1 TRP 75 7.192 5.199 7.132 545 HE3 TRP 75 HE3 TRP 75 5.892 0.009 7.302 546 HZ2 TRP 75 HZ2 TRP 75 8.988 3.666 8.680 547 HZ3 TRP 75 HZ3 TRP 75 7.844 -0.442 8.727 548 HH2 TRP 75 HH2 TRP 75 9.360 1.348 9.401 549 H GLY 76 HN GLY 76 2.820 -0.628 6.241 550 1HA GLY 76 HA2 GLY 76 3.744 -1.225 8.982 551 2HA GLY 76 HA1 GLY 76 2.467 -2.147 8.199 552 H TRP 77 HN TRP 77 5.517 -2.409 9.097 553 HA TRP 77 HA TRP 77 6.406 -3.808 6.664 554 1HB TRP 77 HB2 TRP 77 7.974 -2.126 7.542 555 2HB TRP 77 HB1 TRP 77 7.977 -2.937 9.101 556 HD1 TRP 77 HD1 TRP 77 9.298 -5.305 9.248 557 HE1 TRP 77 HE1 TRP 77 11.223 -6.256 7.821 558 HE3 TRP 77 HE3 TRP 77 8.933 -2.182 5.219 559 HZ2 TRP 77 HZ2 TRP 77 12.421 -5.741 5.325 560 HZ3 TRP 77 HZ3 TRP 77 10.508 -2.479 3.351 561 HH2 TRP 77 HH2 TRP 77 12.218 -4.221 3.407 562 H CYS 78 HN CYS 78 6.454 -5.964 6.645 563 HA CYS 78 HA CYS 78 6.028 -7.352 9.209 564 1HB CYS 78 HB2 CYS 78 4.342 -7.610 7.284 565 2HB CYS 78 HB1 CYS 78 5.587 -8.556 6.482 566 H TYR 79 HN TYR 79 7.932 -7.988 10.005 567 HA TYR 79 HA TYR 79 10.335 -8.063 8.665 568 1HB TYR 79 HB2 TYR 79 9.447 -9.461 11.174 569 2HB TYR 79 HB1 TYR 79 11.103 -9.570 10.584 570 HD1 TYR 79 HD1 TYR 79 12.261 -7.282 10.078 571 HD2 TYR 79 HD2 TYR 79 8.889 -7.737 12.633 572 HE1 TYR 79 HE1 TYR 79 12.811 -5.153 11.171 573 HE2 TYR 79 HE2 TYR 79 9.431 -5.604 13.732 574 HH TYR 79 HH TYR 79 11.369 -4.158 14.080 575 H VAL 80 HN VAL 80 8.270 -10.881 9.361 576 HA VAL 80 HA VAL 80 10.080 -12.753 8.259 577 HB VAL 80 HB VAL 80 8.139 -14.333 8.292 578 1HG1 VAL 80 HG11 VAL 80 7.915 -14.321 10.756 579 2HG1 VAL 80 HG12 VAL 80 8.695 -12.739 10.791 580 3HG1 VAL 80 HG13 VAL 80 9.584 -14.149 10.213 581 1HG2 VAL 80 HG21 VAL 80 6.672 -11.935 9.388 582 2HG2 VAL 80 HG22 VAL 80 6.067 -13.591 9.373 583 3HG2 VAL 80 HG23 VAL 80 6.349 -12.742 7.854 584 H ASP 81 HN ASP 81 7.778 -10.666 6.794 585 HA ASP 81 HA ASP 81 7.717 -12.246 4.320 586 1HB ASP 81 HB2 ASP 81 6.146 -9.810 5.187 587 2HB ASP 81 HB1 ASP 81 6.044 -10.508 3.577 588 H GLU 82 HN GLU 82 8.862 -9.283 5.704 589 HA GLU 82 HA GLU 82 10.298 -7.678 5.043 590 1HB GLU 82 HB2 GLU 82 10.833 -9.528 2.718 591 2HB GLU 82 HB1 GLU 82 11.707 -8.030 3.005 592 1HG GLU 82 HG2 GLU 82 12.413 -8.926 5.206 593 2HG GLU 82 HG1 GLU 82 11.645 -10.456 4.781 594 H VAL 83 HN VAL 83 7.450 -8.014 4.070 595 HA VAL 83 HA VAL 83 7.539 -6.193 1.782 596 HB VAL 83 HB VAL 83 5.144 -6.628 1.504 597 1HG1 VAL 83 HG11 VAL 83 6.811 -9.130 1.721 598 2HG1 VAL 83 HG12 VAL 83 6.711 -8.050 0.330 599 3HG1 VAL 83 HG13 VAL 83 5.300 -8.986 0.823 600 1HG2 VAL 83 HG21 VAL 83 4.503 -7.013 3.812 601 2HG2 VAL 83 HG22 VAL 83 5.454 -8.497 3.854 602 3HG2 VAL 83 HG23 VAL 83 4.029 -8.392 2.817 603 H MET 84 HN MET 84 6.762 -4.163 1.862 604 HA MET 84 HA MET 84 5.802 -3.193 4.473 605 1HB MET 84 HB2 MET 84 7.945 -2.220 3.754 606 2HB MET 84 HB1 MET 84 7.202 -1.680 2.259 607 1HG MET 84 HG2 MET 84 5.844 -0.107 3.400 608 2HG MET 84 HG1 MET 84 6.278 -0.778 4.971 609 1HE MET 84 HE1 MET 84 9.396 1.348 2.300 610 2HE MET 84 HE2 MET 84 7.747 1.029 1.762 611 3HE MET 84 HE3 MET 84 8.855 -0.312 2.053 612 H PHE 85 HN PHE 85 3.674 -3.002 4.461 613 HA PHE 85 HA PHE 85 2.347 -2.197 1.954 614 1HB PHE 85 HB2 PHE 85 0.307 -3.272 2.909 615 2HB PHE 85 HB1 PHE 85 1.631 -4.396 2.637 616 HD1 PHE 85 HD1 PHE 85 -0.481 -2.776 5.125 617 HD2 PHE 85 HD2 PHE 85 2.825 -5.388 4.518 618 HE1 PHE 85 HE1 PHE 85 -0.669 -3.553 7.452 619 HE2 PHE 85 HE2 PHE 85 2.643 -6.161 6.847 620 HZ PHE 85 HZ PHE 85 0.900 -5.239 8.317 621 H ASP 86 HN ASP 86 -0.014 -1.321 2.688 622 HA ASP 86 HA ASP 86 0.728 1.196 3.957 623 1HB ASP 86 HB2 ASP 86 -1.413 2.014 2.918 624 2HB ASP 86 HB1 ASP 86 -0.198 1.453 1.774 625 H LEU 87 HN LEU 87 -0.190 2.032 5.689 626 HA LEU 87 HA LEU 87 -2.608 0.829 6.833 627 1HB LEU 87 HB2 LEU 87 -0.037 1.426 8.306 628 2HB LEU 87 HB1 LEU 87 -1.573 1.198 9.118 629 HG LEU 87 HG LEU 87 -0.181 -0.883 7.428 630 1HD1 LEU 87 HD11 LEU 87 -0.468 -0.646 10.420 631 2HD1 LEU 87 HD12 LEU 87 1.021 -0.435 9.499 632 3HD1 LEU 87 HD13 LEU 87 0.236 -2.013 9.556 633 1HD2 LEU 87 HD21 LEU 87 -1.871 -2.405 8.348 634 2HD2 LEU 87 HD22 LEU 87 -2.604 -1.120 7.389 635 3HD2 LEU 87 HD23 LEU 87 -2.655 -1.044 9.150 636 H SER 88 HN SER 88 -2.574 3.013 5.251 637 HA SER 88 HA SER 88 -1.797 5.445 6.432 638 1HB SER 88 HB2 SER 88 -2.080 5.047 3.991 639 2HB SER 88 HB1 SER 88 -3.826 5.016 4.230 640 HG SER 88 HG SER 88 -2.021 7.175 4.482 641 H ASP 89 HN ASP 89 -4.877 3.709 6.489 642 HA ASP 89 HA ASP 89 -6.093 5.993 7.881 643 1HB ASP 89 HB2 ASP 89 -7.320 3.560 6.586 644 2HB ASP 89 HB1 ASP 89 -8.240 4.677 7.588 645 H ARG 90 HN ARG 90 -4.598 3.084 8.524 646 HA ARG 90 HA ARG 90 -6.092 2.698 11.019 647 1HB ARG 90 HB2 ARG 90 -4.134 0.898 9.586 648 2HB ARG 90 HB1 ARG 90 -4.848 0.533 11.150 649 1HG ARG 90 HG2 ARG 90 -7.059 0.487 10.168 650 2HG ARG 90 HG1 ARG 90 -6.394 0.948 8.600 651 1HD ARG 90 HD2 ARG 90 -5.109 -1.120 8.522 652 2HD ARG 90 HD1 ARG 90 -5.720 -1.574 10.112 653 HE ARG 90 HE ARG 90 -7.984 -1.235 8.677 654 1HH1 ARG 90 HH11 ARG 90 -5.062 -3.065 8.055 655 2HH1 ARG 90 HH12 ARG 90 -5.873 -4.299 7.138 656 1HH2 ARG 90 HH21 ARG 90 -9.058 -2.861 7.504 657 2HH2 ARG 90 HH22 ARG 90 -8.152 -4.178 6.818 658 H MET 91 HN MET 91 -3.487 4.367 9.962 659 HA MET 91 HA MET 91 -1.308 3.690 11.481 660 1HB MET 91 HB2 MET 91 -0.538 5.997 11.249 661 2HB MET 91 HB1 MET 91 -1.231 5.407 9.747 662 1HG MET 91 HG2 MET 91 -3.221 6.670 10.086 663 2HG MET 91 HG1 MET 91 -2.727 7.111 11.718 664 1HE MET 91 HE1 MET 91 -0.442 6.992 8.504 665 2HE MET 91 HE2 MET 91 -0.592 8.648 7.914 666 3HE MET 91 HE3 MET 91 -1.986 7.567 7.877 667 H THR 92 HN THR 92 -0.517 4.099 13.463 668 HA THR 92 HA THR 92 -2.420 4.292 15.568 669 HB THR 92 HB THR 92 0.586 4.476 15.817 670 HG1 THR 92 HG1 THR 92 0.211 2.635 14.637 671 1HG2 THR 92 HG21 THR 92 -1.529 3.406 17.691 672 2HG2 THR 92 HG22 THR 92 -0.668 4.934 17.873 673 3HG2 THR 92 HG23 THR 92 0.210 3.409 17.988 674 HA PRO 93 HA PRO 93 -2.445 8.777 15.984 675 1HB PRO 93 HB2 PRO 93 -3.722 8.136 18.573 676 2HB PRO 93 HB1 PRO 93 -4.325 9.122 17.239 677 1HG PRO 93 HG2 PRO 93 -5.356 6.709 17.754 678 2HG PRO 93 HG1 PRO 93 -5.163 7.296 16.091 679 1HD PRO 93 HD2 PRO 93 -3.468 5.360 17.627 680 2HD PRO 93 HD1 PRO 93 -3.993 5.298 15.930 681 H HIS 94 HN HIS 94 -1.470 10.332 17.410 682 HA HIS 94 HA HIS 94 0.829 9.196 18.743 683 1HB HIS 94 HB2 HIS 94 1.643 11.486 18.986 684 2HB HIS 94 HB1 HIS 94 1.161 11.163 17.329 685 HD1 HIS 94 HD1 HIS 94 -0.663 12.615 16.333 686 HD2 HIS 94 HD2 HIS 94 -0.041 13.307 20.388 687 HE1 HIS 94 HE1 HIS 94 -1.932 14.725 16.869 688 HE2 HIS 94 HE2 HIS 94 -1.681 15.019 19.361 689 H ASN 95 HN ASN 95 1.137 8.930 20.822 690 HA ASN 95 HA ASN 95 -1.019 9.649 22.660 691 1HB ASN 95 HB2 ASN 95 0.066 8.134 24.233 692 2HB ASN 95 HB1 ASN 95 -0.127 7.335 22.677 693 1HD2 ASN 95 HD21 ASN 95 1.712 6.706 24.814 694 2HD2 ASN 95 HD22 ASN 95 3.302 6.823 24.139 695 H GLY 96 HN GLY 96 1.577 11.131 21.491 696 1HA GLY 96 HA2 GLY 96 1.634 13.256 23.236 697 2HA GLY 96 HA1 GLY 96 2.878 12.147 23.805 698 HA PRO 97 HA PRO 97 4.734 14.534 20.310 699 1HB PRO 97 HB2 PRO 97 6.458 16.042 21.914 700 2HB PRO 97 HB1 PRO 97 4.945 16.603 21.205 701 1HG PRO 97 HG2 PRO 97 5.515 16.219 23.956 702 2HG PRO 97 HG1 PRO 97 3.954 16.630 23.232 703 1HD PRO 97 HD2 PRO 97 4.974 14.010 24.169 704 2HD PRO 97 HD1 PRO 97 3.302 14.596 24.044 705 H ILE 98 HN ILE 98 6.085 13.107 19.400 706 HA ILE 98 HA ILE 98 8.002 11.625 20.959 707 HB ILE 98 HB ILE 98 7.549 11.701 17.971 708 1HG1 ILE 98 HG12 ILE 98 6.669 9.784 20.138 709 2HG1 ILE 98 HG11 ILE 98 5.640 10.793 19.129 710 1HG2 ILE 98 HG21 ILE 98 9.837 11.038 18.483 711 2HG2 ILE 98 HG22 ILE 98 8.906 9.662 17.889 712 3HG2 ILE 98 HG23 ILE 98 9.244 9.822 19.613 713 1HD1 ILE 98 HD11 ILE 98 7.319 8.482 18.192 714 2HD1 ILE 98 HD12 ILE 98 6.301 9.496 17.168 715 3HD1 ILE 98 HD13 ILE 98 5.570 8.483 18.415 716 HA PRO 99 HA PRO 99 11.165 14.743 20.465 717 1HB PRO 99 HB2 PRO 99 12.910 12.832 21.820 718 2HB PRO 99 HB1 PRO 99 12.357 14.417 22.364 719 1HG PRO 99 HG2 PRO 99 11.509 12.112 23.497 720 2HG PRO 99 HG1 PRO 99 10.492 13.560 23.394 721 1HD PRO 99 HD2 PRO 99 10.462 11.097 21.690 722 2HD PRO 99 HD1 PRO 99 9.100 12.040 22.334 723 H ARG 100 HN ARG 100 11.671 14.709 18.311 724 HA ARG 100 HA ARG 100 13.195 12.539 17.170 725 1HB ARG 100 HB2 ARG 100 11.685 13.702 15.701 726 2HB ARG 100 HB1 ARG 100 12.394 15.256 16.114 727 1HG ARG 100 HG2 ARG 100 13.122 14.576 13.924 728 2HG ARG 100 HG1 ARG 100 14.490 14.573 15.035 729 1HD ARG 100 HD2 ARG 100 14.660 12.614 13.699 730 2HD ARG 100 HD1 ARG 100 14.150 12.107 15.306 731 HE ARG 100 HE ARG 100 12.223 11.285 14.394 732 1HH1 ARG 100 HH11 ARG 100 13.597 13.623 12.155 733 2HH1 ARG 100 HH12 ARG 100 12.503 13.216 10.867 734 1HH2 ARG 100 HH21 ARG 100 10.839 10.715 12.686 735 2HH2 ARG 100 HH22 ARG 100 10.938 11.556 11.162 736 H TYR 101 HN TYR 101 15.212 12.293 17.877 737 HA TYR 101 HA TYR 101 16.774 14.568 18.742 738 1HB TYR 101 HB2 TYR 101 17.462 11.625 18.639 739 2HB TYR 101 HB1 TYR 101 18.466 12.873 19.365 740 HD1 TYR 101 HD1 TYR 101 17.525 14.156 21.358 741 HD2 TYR 101 HD2 TYR 101 15.765 10.578 19.873 742 HE1 TYR 101 HE1 TYR 101 16.374 13.834 23.508 743 HE2 TYR 101 HE2 TYR 101 14.606 10.252 22.015 744 HH TYR 101 HH TYR 101 14.947 10.940 24.408 745 H VAL 102 HN VAL 102 16.877 12.149 16.167 746 HA VAL 102 HA VAL 102 19.342 13.180 15.122 747 HB VAL 102 HB VAL 102 18.894 11.565 13.214 748 1HG1 VAL 102 HG11 VAL 102 19.508 9.623 14.538 749 2HG1 VAL 102 HG12 VAL 102 18.960 10.430 16.007 750 3HG1 VAL 102 HG13 VAL 102 20.352 11.058 15.123 751 1HG2 VAL 102 HG21 VAL 102 17.212 9.832 13.601 752 2HG2 VAL 102 HG22 VAL 102 16.464 11.422 13.449 753 3HG2 VAL 102 HG23 VAL 102 16.657 10.686 15.040 Start of MODEL 2 1 1H MET 1 HT1 MET 1 0.265 -0.177 -0.655 2 2H MET 1 HT2 MET 1 0.135 0.378 -2.251 3 3H MET 1 HT3 MET 1 0.884 1.346 -1.077 4 HA MET 1 HA MET 1 2.491 0.303 -2.547 5 1HB MET 1 HB2 MET 1 2.991 0.818 -0.136 6 2HB MET 1 HB1 MET 1 2.611 -0.856 0.243 7 1HG MET 1 HG2 MET 1 5.001 -0.547 0.070 8 2HG MET 1 HG1 MET 1 4.422 -1.599 -1.220 9 1HE MET 1 HE1 MET 1 7.406 0.332 -2.893 10 2HE MET 1 HE2 MET 1 6.745 -1.252 -2.487 11 3HE MET 1 HE3 MET 1 7.300 -0.173 -1.207 12 H THR 2 HN THR 2 0.806 -2.088 -0.516 13 HA THR 2 HA THR 2 0.503 -3.908 -2.688 14 HB THR 2 HB THR 2 2.873 -4.379 -2.157 15 HG1 THR 2 HG1 THR 2 2.065 -6.243 -2.828 16 1HG2 THR 2 HG21 THR 2 2.891 -3.761 0.201 17 2HG2 THR 2 HG22 THR 2 3.469 -5.415 -0.009 18 3HG2 THR 2 HG23 THR 2 1.833 -5.120 0.579 19 H MET 3 HN MET 3 -0.524 -6.000 -1.848 20 HA MET 3 HA MET 3 -2.579 -5.282 0.028 21 1HB MET 3 HB2 MET 3 -2.015 -7.975 -1.225 22 2HB MET 3 HB1 MET 3 -3.505 -7.488 -0.428 23 1HG MET 3 HG2 MET 3 -2.389 -6.392 -2.997 24 2HG MET 3 HG1 MET 3 -3.804 -7.425 -2.807 25 1HE MET 3 HE1 MET 3 -3.686 -4.614 -4.415 26 2HE MET 3 HE2 MET 3 -5.244 -3.931 -3.948 27 3HE MET 3 HE3 MET 3 -5.115 -5.645 -4.345 28 H GLY 4 HN GLY 4 0.489 -6.730 0.223 29 1HA GLY 4 HA2 GLY 4 1.706 -7.076 2.165 30 2HA GLY 4 HA1 GLY 4 0.232 -6.852 3.094 31 H CYS 5 HN CYS 5 -0.613 -8.579 4.029 32 HA CYS 5 HA CYS 5 -0.534 -11.188 2.892 33 1HB CYS 5 HB2 CYS 5 0.874 -12.244 4.631 34 2HB CYS 5 HB1 CYS 5 1.785 -11.114 3.636 35 H ARG 6 HN ARG 6 -1.443 -12.828 4.497 36 HA ARG 6 HA ARG 6 -3.860 -11.771 5.482 37 1HB ARG 6 HB2 ARG 6 -4.342 -14.003 6.278 38 2HB ARG 6 HB1 ARG 6 -3.605 -14.083 4.686 39 1HG ARG 6 HG2 ARG 6 -1.451 -14.648 5.735 40 2HG ARG 6 HG1 ARG 6 -2.241 -14.631 7.314 41 1HD ARG 6 HD2 ARG 6 -2.093 -16.903 6.535 42 2HD ARG 6 HD1 ARG 6 -3.781 -16.395 6.513 43 HE ARG 6 HE ARG 6 -2.048 -16.687 4.143 44 1HH1 ARG 6 HH11 ARG 6 -5.238 -16.458 5.588 45 2HH1 ARG 6 HH12 ARG 6 -6.065 -16.899 4.130 46 1HH2 ARG 6 HH21 ARG 6 -3.143 -17.284 2.223 47 2HH2 ARG 6 HH22 ARG 6 -4.883 -17.371 2.222 48 H HIS 7 HN HIS 7 -0.792 -11.942 6.944 49 HA HIS 7 HA HIS 7 -1.477 -12.133 9.661 50 1HB HIS 7 HB2 HIS 7 0.830 -10.707 8.322 51 2HB HIS 7 HB1 HIS 7 0.685 -10.908 10.063 52 HD2 HIS 7 HD2 HIS 7 -0.171 -14.084 10.048 53 HE1 HIS 7 HE1 HIS 7 3.529 -14.538 8.056 54 HE2 HIS 7 HE2 HIS 7 1.812 -15.677 9.529 55 H VAL 8 HN VAL 8 -1.766 -9.534 7.379 56 HA VAL 8 HA VAL 8 -1.878 -7.360 9.204 57 HB VAL 8 HB VAL 8 -3.252 -7.487 6.521 58 1HG1 VAL 8 HG11 VAL 8 -3.848 -5.564 7.891 59 2HG1 VAL 8 HG12 VAL 8 -2.896 -5.077 6.488 60 3HG1 VAL 8 HG13 VAL 8 -2.141 -5.163 8.079 61 1HG2 VAL 8 HG21 VAL 8 -0.978 -8.205 6.231 62 2HG2 VAL 8 HG22 VAL 8 -0.395 -6.801 7.126 63 3HG2 VAL 8 HG23 VAL 8 -1.193 -6.586 5.568 64 H ALA 9 HN ALA 9 -4.163 -9.740 8.144 65 HA ALA 9 HA ALA 9 -6.494 -8.265 8.751 66 1HB ALA 9 HB1 ALA 9 -6.476 -10.153 7.179 67 2HB ALA 9 HB2 ALA 9 -7.695 -10.344 8.438 68 3HB ALA 9 HB3 ALA 9 -6.187 -11.255 8.526 69 H GLY 10 HN GLY 10 -4.194 -9.602 10.766 70 1HA GLY 10 HA2 GLY 10 -6.118 -10.179 12.912 71 2HA GLY 10 HA1 GLY 10 -4.436 -10.683 12.887 72 H ILE 11 HN ILE 11 -3.883 -7.790 11.896 73 HA ILE 11 HA ILE 11 -3.280 -6.857 14.564 74 HB ILE 11 HB ILE 11 -2.017 -5.068 13.510 75 1HG1 ILE 11 HG12 ILE 11 -2.982 -6.189 10.869 76 2HG1 ILE 11 HG11 ILE 11 -3.562 -4.694 11.593 77 1HG2 ILE 11 HG21 ILE 11 -0.355 -6.426 12.338 78 2HG2 ILE 11 HG22 ILE 11 -1.524 -7.739 12.200 79 3HG2 ILE 11 HG23 ILE 11 -0.948 -7.235 13.790 80 1HD1 ILE 11 HD11 ILE 11 -1.311 -3.752 11.426 81 2HD1 ILE 11 HD12 ILE 11 -1.936 -4.251 9.854 82 3HD1 ILE 11 HD13 ILE 11 -0.747 -5.251 10.689 83 H ARG 12 HN ARG 12 -3.826 -4.786 15.367 84 HA ARG 12 HA ARG 12 -6.190 -3.553 14.146 85 1HB ARG 12 HB2 ARG 12 -7.193 -3.302 16.418 86 2HB ARG 12 HB1 ARG 12 -7.118 -4.961 15.851 87 1HG ARG 12 HG2 ARG 12 -4.998 -3.841 17.650 88 2HG ARG 12 HG1 ARG 12 -6.516 -4.473 18.293 89 1HD ARG 12 HD2 ARG 12 -6.078 -6.616 17.177 90 2HD ARG 12 HD1 ARG 12 -4.550 -5.981 16.571 91 HE ARG 12 HE ARG 12 -4.608 -5.734 19.373 92 1HH1 ARG 12 HH11 ARG 12 -4.426 -8.190 16.884 93 2HH1 ARG 12 HH12 ARG 12 -3.541 -9.312 17.869 94 1HH2 ARG 12 HH21 ARG 12 -3.442 -7.190 20.674 95 2HH2 ARG 12 HH22 ARG 12 -2.987 -8.748 20.041 96 H THR 13 HN THR 13 -6.710 -1.445 15.494 97 HA THR 13 HA THR 13 -4.275 0.114 15.528 98 HB THR 13 HB THR 13 -7.082 0.999 16.236 99 HG1 THR 13 HG1 THR 13 -6.840 1.858 13.946 100 1HG2 THR 13 HG21 THR 13 -5.309 2.523 16.994 101 2HG2 THR 13 HG22 THR 13 -6.246 3.237 15.681 102 3HG2 THR 13 HG23 THR 13 -4.646 2.566 15.360 103 H VAL 14 HN VAL 14 -3.010 0.088 17.240 104 HA VAL 14 HA VAL 14 -4.147 -0.754 19.805 105 HB VAL 14 HB VAL 14 -1.784 -1.288 20.406 106 1HG1 VAL 14 HG11 VAL 14 -2.890 -2.586 17.918 107 2HG1 VAL 14 HG12 VAL 14 -3.239 -3.035 19.589 108 3HG1 VAL 14 HG13 VAL 14 -1.618 -3.268 18.933 109 1HG2 VAL 14 HG21 VAL 14 -1.279 -0.576 17.517 110 2HG2 VAL 14 HG22 VAL 14 -0.127 -1.384 18.580 111 3HG2 VAL 14 HG23 VAL 14 -0.645 0.264 18.933 112 H THR 15 HN THR 15 -2.758 0.033 21.722 113 HA THR 15 HA THR 15 -2.583 2.955 21.580 114 HB THR 15 HB THR 15 -2.493 1.200 24.042 115 HG1 THR 15 HG1 THR 15 -4.691 2.346 22.637 116 1HG2 THR 15 HG21 THR 15 -3.125 4.133 23.684 117 2HG2 THR 15 HG22 THR 15 -1.627 3.474 24.343 118 3HG2 THR 15 HG23 THR 15 -3.146 3.250 25.211 119 HA PRO 16 HA PRO 16 1.883 2.499 21.540 120 1HB PRO 16 HB2 PRO 16 1.868 5.368 22.198 121 2HB PRO 16 HB1 PRO 16 2.556 4.543 20.798 122 1HG PRO 16 HG2 PRO 16 0.357 6.073 20.598 123 2HG PRO 16 HG1 PRO 16 0.582 4.615 19.613 124 1HD PRO 16 HD2 PRO 16 -1.088 5.008 22.068 125 2HD PRO 16 HD1 PRO 16 -1.454 4.096 20.588 126 H SER 17 HN SER 17 2.623 1.492 23.304 127 HA SER 17 HA SER 17 2.004 2.264 25.967 128 1HB SER 17 HB2 SER 17 2.521 -0.066 25.253 129 2HB SER 17 HB1 SER 17 4.195 0.416 24.988 130 HG SER 17 HG SER 17 4.470 0.715 27.150 131 H ALA 18 HN ALA 18 4.293 3.422 23.746 132 HA ALA 18 HA ALA 18 5.692 4.867 25.865 133 1HB ALA 18 HB1 ALA 18 7.879 4.388 24.902 134 2HB ALA 18 HB2 ALA 18 7.131 3.361 23.678 135 3HB ALA 18 HB3 ALA 18 7.073 2.893 25.378 136 H LEU 19 HN LEU 19 6.877 6.740 25.053 137 HA LEU 19 HA LEU 19 5.608 7.903 22.701 138 1HB LEU 19 HB2 LEU 19 7.484 9.031 24.775 139 2HB LEU 19 HB1 LEU 19 7.005 9.928 23.350 140 HG LEU 19 HG LEU 19 5.600 10.732 25.016 141 1HD1 LEU 19 HD11 LEU 19 4.008 8.528 23.730 142 2HD1 LEU 19 HD12 LEU 19 4.400 10.073 22.977 143 3HD1 LEU 19 HD13 LEU 19 3.380 10.027 24.415 144 1HD2 LEU 19 HD21 LEU 19 5.135 7.896 25.919 145 2HD2 LEU 19 HD22 LEU 19 4.358 9.330 26.592 146 3HD2 LEU 19 HD23 LEU 19 6.102 9.116 26.750 147 H GLY 20 HN GLY 20 8.814 7.032 23.861 148 1HA GLY 20 HA2 GLY 20 9.675 6.854 21.052 149 2HA GLY 20 HA1 GLY 20 10.707 7.625 22.253 150 H CYS 21 HN CYS 21 12.372 6.099 21.971 151 HA CYS 21 HA CYS 21 11.867 3.326 22.518 152 1HB CYS 21 HB2 CYS 21 13.754 4.046 21.081 153 2HB CYS 21 HB1 CYS 21 14.495 4.829 22.473 154 HG CYS 21 HG CYS 21 16.009 2.736 22.679 155 H GLU 22 HN GLU 22 11.055 2.945 24.472 156 HA GLU 22 HA GLU 22 11.434 4.495 26.757 157 1HB GLU 22 HB2 GLU 22 10.276 2.780 27.957 158 2HB GLU 22 HB1 GLU 22 9.559 2.893 26.357 159 1HG GLU 22 HG2 GLU 22 11.487 0.783 27.310 160 2HG GLU 22 HG1 GLU 22 9.756 0.587 27.050 161 H GLU 23 HN GLU 23 13.165 1.652 25.622 162 HA GLU 23 HA GLU 23 14.722 1.194 27.909 163 1HB GLU 23 HB2 GLU 23 14.493 -0.404 26.053 164 2HB GLU 23 HB1 GLU 23 15.400 0.680 25.009 165 1HG GLU 23 HG2 GLU 23 17.388 0.360 26.271 166 2HG GLU 23 HG1 GLU 23 16.514 -0.510 27.532 167 H CYS 24 HN CYS 24 15.277 3.261 25.079 168 HA CYS 24 HA CYS 24 17.841 4.130 25.923 169 1HB CYS 24 HB2 CYS 24 15.831 5.352 24.025 170 2HB CYS 24 HB1 CYS 24 17.422 6.043 24.314 171 HG CYS 24 HG CYS 24 18.203 4.834 22.163 172 H LEU 25 HN LEU 25 14.573 5.213 26.548 173 HA LEU 25 HA LEU 25 15.233 7.729 27.667 174 1HB LEU 25 HB2 LEU 25 12.808 5.963 27.902 175 2HB LEU 25 HB1 LEU 25 12.913 7.527 28.688 176 HG LEU 25 HG LEU 25 13.209 7.145 25.712 177 1HD1 LEU 25 HD11 LEU 25 10.981 6.442 26.407 178 2HD1 LEU 25 HD12 LEU 25 10.913 7.976 25.539 179 3HD1 LEU 25 HD13 LEU 25 10.771 7.950 27.297 180 1HD2 LEU 25 HD21 LEU 25 14.240 9.165 26.597 181 2HD2 LEU 25 HD22 LEU 25 12.738 9.588 27.419 182 3HD2 LEU 25 HD23 LEU 25 12.801 9.562 25.657 183 H LYS 26 HN LYS 26 15.605 4.566 28.902 184 HA LYS 26 HA LYS 26 15.196 5.310 31.664 185 1HB LYS 26 HB2 LYS 26 15.504 3.068 32.195 186 2HB LYS 26 HB1 LYS 26 14.822 2.984 30.578 187 1HG LYS 26 HG2 LYS 26 17.249 2.862 29.769 188 2HG LYS 26 HG1 LYS 26 17.645 2.508 31.452 189 1HD LYS 26 HD2 LYS 26 15.986 0.636 31.358 190 2HD LYS 26 HD1 LYS 26 15.832 0.947 29.626 191 1HE LYS 26 HE2 LYS 26 18.150 0.440 29.271 192 2HE LYS 26 HE1 LYS 26 18.427 0.289 31.006 193 1HZ LYS 26 HZ1 LYS 26 16.563 -1.450 29.483 194 2HZ LYS 26 HZ2 LYS 26 17.086 -1.654 31.084 195 3HZ LYS 26 HZ3 LYS 26 18.176 -1.855 29.802 196 H ILE 27 HN ILE 27 17.805 5.345 29.417 197 HA ILE 27 HA ILE 27 19.674 5.903 31.624 198 HB ILE 27 HB ILE 27 21.490 4.912 30.189 199 1HG1 ILE 27 HG12 ILE 27 19.101 3.844 28.667 200 2HG1 ILE 27 HG11 ILE 27 20.376 4.880 28.045 201 1HG2 ILE 27 HG21 ILE 27 19.329 3.061 31.179 202 2HG2 ILE 27 HG22 ILE 27 20.629 3.764 32.141 203 3HG2 ILE 27 HG23 ILE 27 21.003 2.609 30.862 204 1HD1 ILE 27 HD11 ILE 27 21.992 3.084 28.341 205 2HD1 ILE 27 HD12 ILE 27 20.656 2.588 27.302 206 3HD1 ILE 27 HD13 ILE 27 20.720 2.041 28.977 207 H GLY 28 HN GLY 28 18.094 7.357 29.239 208 1HA GLY 28 HA2 GLY 28 18.404 9.434 28.279 209 2HA GLY 28 HA1 GLY 28 19.943 9.537 29.121 210 H SER 29 HN SER 29 18.764 7.206 26.741 211 HA SER 29 HA SER 29 21.139 7.771 25.110 212 1HB SER 29 HB2 SER 29 19.344 5.332 25.166 213 2HB SER 29 HB1 SER 29 20.789 5.516 24.177 214 HG SER 29 HG SER 29 22.037 5.552 26.012 215 HA PRO 30 HA PRO 30 18.476 9.222 21.883 216 1HB PRO 30 HB2 PRO 30 20.150 9.158 19.807 217 2HB PRO 30 HB1 PRO 30 20.442 10.231 21.182 218 1HG PRO 30 HG2 PRO 30 21.712 7.608 20.520 219 2HG PRO 30 HG1 PRO 30 22.455 9.082 21.165 220 1HD PRO 30 HD2 PRO 30 21.705 6.883 22.678 221 2HD PRO 30 HD1 PRO 30 21.953 8.521 23.315 222 H TRP 31 HN TRP 31 17.674 8.695 19.705 223 HA TRP 31 HA TRP 31 18.051 6.008 18.716 224 1HB TRP 31 HB2 TRP 31 15.623 5.532 18.580 225 2HB TRP 31 HB1 TRP 31 16.178 5.648 20.245 226 HD1 TRP 31 HD1 TRP 31 14.120 7.637 17.645 227 HE1 TRP 31 HE1 TRP 31 12.568 9.244 18.917 228 HE3 TRP 31 HE3 TRP 31 15.825 6.829 22.399 229 HZ2 TRP 31 HZ2 TRP 31 12.118 10.059 21.578 230 HZ3 TRP 31 HZ3 TRP 31 14.776 8.062 24.250 231 HH2 TRP 31 HH2 TRP 31 12.960 9.643 23.846 232 H VAL 32 HN VAL 32 17.214 5.797 16.512 233 HA VAL 32 HA VAL 32 17.242 8.416 15.203 234 HB VAL 32 HB VAL 32 17.512 5.714 13.879 235 1HG1 VAL 32 HG11 VAL 32 18.201 8.500 12.943 236 2HG1 VAL 32 HG12 VAL 32 16.831 7.533 12.399 237 3HG1 VAL 32 HG13 VAL 32 18.477 7.011 12.039 238 1HG2 VAL 32 HG21 VAL 32 19.319 5.995 15.486 239 2HG2 VAL 32 HG22 VAL 32 19.684 7.588 14.822 240 3HG2 VAL 32 HG23 VAL 32 19.932 6.145 13.838 241 H HIS 33 HN HIS 33 15.553 5.288 14.843 242 HA HIS 33 HA HIS 33 13.122 6.800 14.197 243 1HB HIS 33 HB2 HIS 33 14.234 4.443 12.678 244 2HB HIS 33 HB1 HIS 33 12.558 4.963 12.541 245 HD1 HIS 33 HD1 HIS 33 12.349 7.647 11.823 246 HD2 HIS 33 HD2 HIS 33 15.857 5.612 10.873 247 HE1 HIS 33 HE1 HIS 33 13.451 8.993 10.003 248 HE2 HIS 33 HE2 HIS 33 15.662 7.851 9.594 249 H LEU 34 HN LEU 34 11.143 5.401 14.307 250 HA LEU 34 HA LEU 34 11.354 3.457 16.515 251 1HB LEU 34 HB2 LEU 34 9.386 5.741 16.355 252 2HB LEU 34 HB1 LEU 34 9.413 4.501 17.593 253 HG LEU 34 HG LEU 34 11.628 6.499 17.132 254 1HD1 LEU 34 HD11 LEU 34 10.813 7.563 19.182 255 2HD1 LEU 34 HD12 LEU 34 9.445 6.451 19.209 256 3HD1 LEU 34 HD13 LEU 34 9.609 7.615 17.895 257 1HD2 LEU 34 HD21 LEU 34 11.124 4.558 19.384 258 2HD2 LEU 34 HD22 LEU 34 12.447 5.722 19.287 259 3HD2 LEU 34 HD23 LEU 34 12.358 4.389 18.135 260 H ARG 35 HN ARG 35 10.176 1.678 16.195 261 HA ARG 35 HA ARG 35 7.889 1.824 14.343 262 1HB ARG 35 HB2 ARG 35 9.832 -0.485 14.589 263 2HB ARG 35 HB1 ARG 35 8.423 -0.430 13.537 264 1HG ARG 35 HG2 ARG 35 9.430 1.483 12.347 265 2HG ARG 35 HG1 ARG 35 10.862 1.326 13.361 266 1HD ARG 35 HD2 ARG 35 9.796 -0.658 11.361 267 2HD ARG 35 HD1 ARG 35 11.298 0.257 11.268 268 HE ARG 35 HE ARG 35 10.830 -1.790 13.336 269 1HH1 ARG 35 HH11 ARG 35 12.887 -0.288 10.929 270 2HH1 ARG 35 HH12 ARG 35 14.158 -1.468 11.106 271 1HH2 ARG 35 HH21 ARG 35 12.489 -3.360 13.535 272 2HH2 ARG 35 HH22 ARG 35 13.926 -3.199 12.572 273 H ILE 36 HN ILE 36 6.039 1.144 15.173 274 HA ILE 36 HA ILE 36 6.113 -0.136 17.829 275 HB ILE 36 HB ILE 36 5.051 2.051 17.830 276 1HG1 ILE 36 HG12 ILE 36 3.012 -0.174 18.060 277 2HG1 ILE 36 HG11 ILE 36 4.111 0.355 19.328 278 1HG2 ILE 36 HG21 ILE 36 3.191 0.937 15.734 279 2HG2 ILE 36 HG22 ILE 36 4.413 2.186 15.494 280 3HG2 ILE 36 HG23 ILE 36 3.020 2.502 16.528 281 1HD1 ILE 36 HD11 ILE 36 1.903 1.993 18.105 282 2HD1 ILE 36 HD12 ILE 36 3.009 2.534 19.368 283 3HD1 ILE 36 HD13 ILE 36 1.878 1.220 19.690 284 H CYS 37 HN CYS 37 4.991 -2.032 18.204 285 HA CYS 37 HA CYS 37 4.199 -3.671 16.028 286 1HB CYS 37 HB2 CYS 37 3.572 -3.828 18.970 287 2HB CYS 37 HB1 CYS 37 2.989 -5.012 17.817 288 H ARG 38 HN ARG 38 2.226 -4.007 15.078 289 HA ARG 38 HA ARG 38 -0.034 -2.386 15.935 290 1HB ARG 38 HB2 ARG 38 0.294 -4.395 13.697 291 2HB ARG 38 HB1 ARG 38 -1.202 -3.533 14.024 292 1HG ARG 38 HG2 ARG 38 1.422 -2.233 13.326 293 2HG ARG 38 HG1 ARG 38 0.098 -2.531 12.198 294 1HD ARG 38 HD2 ARG 38 0.004 -0.783 14.654 295 2HD ARG 38 HD1 ARG 38 0.049 -0.231 12.980 296 HE ARG 38 HE ARG 38 -2.181 -1.920 13.850 297 1HH1 ARG 38 HH11 ARG 38 -0.997 1.221 12.832 298 2HH1 ARG 38 HH12 ARG 38 -2.598 1.856 12.566 299 1HH2 ARG 38 HH21 ARG 38 -4.270 -1.066 13.472 300 2HH2 ARG 38 HH22 ARG 38 -4.439 0.575 12.936 301 H THR 39 HN THR 39 1.349 -4.957 17.143 302 HA THR 39 HA THR 39 -1.061 -6.507 17.715 303 HB THR 39 HB THR 39 1.627 -7.347 18.687 304 HG1 THR 39 HG1 THR 39 1.025 -8.119 16.074 305 1HG2 THR 39 HG21 THR 39 0.760 -9.568 18.074 306 2HG2 THR 39 HG22 THR 39 -0.709 -8.813 17.454 307 3HG2 THR 39 HG23 THR 39 -0.323 -8.714 19.174 308 H CYS 40 HN CYS 40 1.876 -5.725 19.606 309 HA CYS 40 HA CYS 40 0.230 -5.718 22.001 310 1HB CYS 40 HB2 CYS 40 2.212 -6.077 23.252 311 2HB CYS 40 HB1 CYS 40 2.376 -7.061 21.809 312 H GLY 41 HN GLY 41 1.273 -3.411 19.874 313 1HA GLY 41 HA2 GLY 41 1.166 -1.119 19.963 314 2HA GLY 41 HA1 GLY 41 0.452 -1.289 21.555 315 H HIS 42 HN HIS 42 3.522 -2.760 21.242 316 HA HIS 42 HA HIS 42 4.671 -0.644 22.879 317 1HB HIS 42 HB2 HIS 42 4.855 -3.115 23.482 318 2HB HIS 42 HB1 HIS 42 5.980 -3.265 22.137 319 HD1 HIS 42 HD1 HIS 42 5.724 -2.133 25.644 320 HD2 HIS 42 HD2 HIS 42 8.448 -1.881 22.515 321 HE1 HIS 42 HE1 HIS 42 7.870 -1.330 26.673 322 HE2 HIS 42 HE2 HIS 42 9.365 -0.859 24.699 323 H VAL 43 HN VAL 43 6.330 0.632 22.266 324 HA VAL 43 HA VAL 43 6.932 0.703 19.411 325 HB VAL 43 HB VAL 43 7.662 2.716 21.549 326 1HG1 VAL 43 HG11 VAL 43 7.945 4.264 19.684 327 2HG1 VAL 43 HG12 VAL 43 7.544 2.978 18.546 328 3HG1 VAL 43 HG13 VAL 43 9.013 2.870 19.517 329 1HG2 VAL 43 HG21 VAL 43 5.738 4.015 20.804 330 2HG2 VAL 43 HG22 VAL 43 5.236 2.441 21.424 331 3HG2 VAL 43 HG23 VAL 43 5.292 2.727 19.684 332 H GLY 44 HN GLY 44 8.972 0.396 18.581 333 1HA GLY 44 HA2 GLY 44 11.179 0.082 20.512 334 2HA GLY 44 HA1 GLY 44 10.910 -1.126 19.263 335 H CYS 45 HN CYS 45 13.162 0.841 19.851 336 HA CYS 45 HA CYS 45 13.205 2.620 17.616 337 1HB CYS 45 HB2 CYS 45 15.469 3.104 18.229 338 2HB CYS 45 HB1 CYS 45 14.565 2.911 19.727 339 HG CYS 45 HG CYS 45 16.353 0.336 18.399 340 H CYS 46 HN CYS 46 14.196 2.370 15.637 341 HA CYS 46 HA CYS 46 13.992 -0.199 14.531 342 1HB CYS 46 HB2 CYS 46 15.302 2.279 13.413 343 2HB CYS 46 HB1 CYS 46 14.905 0.837 12.483 344 HG CYS 46 HG CYS 46 12.797 2.110 11.693 345 H ASP 47 HN ASP 47 15.733 -1.095 13.072 346 HA ASP 47 HA ASP 47 17.968 -1.866 14.689 347 1HB ASP 47 HB2 ASP 47 18.576 -3.211 12.639 348 2HB ASP 47 HB1 ASP 47 16.983 -3.549 13.310 349 H ASP 48 HN ASP 48 17.380 0.760 12.767 350 HA ASP 48 HA ASP 48 20.118 1.130 11.870 351 1HB ASP 48 HB2 ASP 48 19.343 3.020 10.715 352 2HB ASP 48 HB1 ASP 48 17.981 1.909 10.633 353 H SER 49 HN SER 49 18.366 1.500 14.656 354 HA SER 49 HA SER 49 19.902 3.778 15.648 355 1HB SER 49 HB2 SER 49 17.630 2.238 16.935 356 2HB SER 49 HB1 SER 49 18.341 3.736 17.536 357 HG SER 49 HG SER 49 17.309 3.638 14.912 358 HA PRO 50 HA PRO 50 22.983 1.601 17.774 359 1HB PRO 50 HB2 PRO 50 22.758 2.564 20.376 360 2HB PRO 50 HB1 PRO 50 23.642 3.338 19.058 361 1HG PRO 50 HG2 PRO 50 20.891 3.891 20.079 362 2HG PRO 50 HG1 PRO 50 22.132 5.028 19.521 363 1HD PRO 50 HD2 PRO 50 20.057 4.397 17.970 364 2HD PRO 50 HD1 PRO 50 21.680 4.608 17.277 365 H HIS 51 HN HIS 51 19.842 1.476 19.382 366 HA HIS 51 HA HIS 51 20.691 -0.767 21.020 367 1HB HIS 51 HB2 HIS 51 18.235 0.934 20.929 368 2HB HIS 51 HB1 HIS 51 18.154 -0.647 21.696 369 HD1 HIS 51 HD1 HIS 51 18.367 -0.410 24.139 370 HD2 HIS 51 HD2 HIS 51 20.785 2.306 22.105 371 HE1 HIS 51 HE1 HIS 51 19.570 0.903 25.920 372 HE2 HIS 51 HE2 HIS 51 21.221 2.338 24.657 373 H LYS 52 HN LYS 52 18.779 -0.214 18.139 374 HA LYS 52 HA LYS 52 17.530 -1.574 16.789 375 1HB LYS 52 HB2 LYS 52 19.497 -3.666 17.752 376 2HB LYS 52 HB1 LYS 52 18.488 -3.788 16.321 377 1HG LYS 52 HG2 LYS 52 19.647 -1.887 15.328 378 2HG LYS 52 HG1 LYS 52 20.656 -1.749 16.768 379 1HD LYS 52 HD2 LYS 52 20.527 -4.211 15.033 380 2HD LYS 52 HD1 LYS 52 21.731 -2.936 14.843 381 1HE LYS 52 HE2 LYS 52 22.474 -3.325 17.157 382 2HE LYS 52 HE1 LYS 52 21.299 -4.631 17.301 383 1HZ LYS 52 HZ1 LYS 52 23.521 -4.563 15.326 384 2HZ LYS 52 HZ2 LYS 52 22.446 -5.847 15.586 385 3HZ LYS 52 HZ3 LYS 52 23.558 -5.414 16.791 386 H HIS 53 HN HIS 53 16.471 -1.225 19.364 387 HA HIS 53 HA HIS 53 15.920 -3.639 20.710 388 1HB HIS 53 HB2 HIS 53 15.857 -1.276 21.651 389 2HB HIS 53 HB1 HIS 53 14.277 -1.117 20.895 390 HD1 HIS 53 HD1 HIS 53 12.737 -1.110 22.860 391 HD2 HIS 53 HD2 HIS 53 15.530 -4.191 23.043 392 HE1 HIS 53 HE1 HIS 53 12.086 -2.503 24.852 393 HE2 HIS 53 HE2 HIS 53 13.784 -4.364 24.948 394 H ALA 54 HN ALA 54 14.333 -2.022 18.055 395 HA ALA 54 HA ALA 54 11.784 -3.212 18.311 396 1HB ALA 54 HB1 ALA 54 13.149 -2.216 15.816 397 2HB ALA 54 HB2 ALA 54 12.167 -1.251 16.919 398 3HB ALA 54 HB3 ALA 54 11.428 -2.555 15.990 399 H THR 55 HN THR 55 14.717 -4.278 16.627 400 HA THR 55 HA THR 55 13.406 -6.501 15.379 401 HB THR 55 HB THR 55 15.758 -7.251 14.857 402 HG1 THR 55 HG1 THR 55 17.435 -5.797 15.349 403 1HG2 THR 55 HG21 THR 55 15.050 -4.413 14.112 404 2HG2 THR 55 HG22 THR 55 14.476 -5.868 13.296 405 3HG2 THR 55 HG23 THR 55 16.190 -5.452 13.257 406 H ARG 56 HN ARG 56 15.587 -6.071 18.126 407 HA ARG 56 HA ARG 56 15.769 -8.725 18.963 408 1HB ARG 56 HB2 ARG 56 15.761 -6.207 20.644 409 2HB ARG 56 HB1 ARG 56 16.329 -7.783 21.181 410 1HG ARG 56 HG2 ARG 56 18.123 -7.749 19.595 411 2HG ARG 56 HG1 ARG 56 17.497 -6.276 18.853 412 1HD ARG 56 HD2 ARG 56 19.360 -5.719 20.272 413 2HD ARG 56 HD1 ARG 56 17.878 -5.085 20.983 414 HE ARG 56 HE ARG 56 17.963 -7.092 22.477 415 1HH1 ARG 56 HH11 ARG 56 20.874 -5.790 21.023 416 2HH1 ARG 56 HH12 ARG 56 21.917 -6.387 22.277 417 1HH2 ARG 56 HH21 ARG 56 19.331 -7.853 24.145 418 2HH2 ARG 56 HH22 ARG 56 21.044 -7.554 24.048 419 H HIS 57 HN HIS 57 13.390 -6.229 19.763 420 HA HIS 57 HA HIS 57 11.831 -7.662 21.572 421 1HB HIS 57 HB2 HIS 57 11.503 -5.290 21.276 422 2HB HIS 57 HB1 HIS 57 11.063 -5.511 19.587 423 HD1 HIS 57 HD1 HIS 57 9.641 -5.667 23.048 424 HD2 HIS 57 HD2 HIS 57 8.483 -6.476 19.137 425 HE1 HIS 57 HE1 HIS 57 7.119 -5.938 23.085 426 H PHE 58 HN PHE 58 11.634 -7.522 18.023 427 HA PHE 58 HA PHE 58 9.323 -9.051 17.694 428 1HB PHE 58 HB2 PHE 58 10.071 -7.979 15.754 429 2HB PHE 58 HB1 PHE 58 11.716 -8.575 15.943 430 HD1 PHE 58 HD1 PHE 58 8.333 -10.168 15.713 431 HD2 PHE 58 HD2 PHE 58 12.327 -10.007 14.283 432 HE1 PHE 58 HE1 PHE 58 7.858 -12.034 14.183 433 HE2 PHE 58 HE2 PHE 58 11.866 -11.871 12.751 434 HZ PHE 58 HZ PHE 58 9.626 -12.890 12.700 435 H HIS 59 HN HIS 59 12.713 -10.103 17.862 436 HA HIS 59 HA HIS 59 12.117 -12.822 17.327 437 1HB HIS 59 HB2 HIS 59 14.554 -11.569 18.602 438 2HB HIS 59 HB1 HIS 59 14.438 -13.264 18.142 439 HD1 HIS 59 HD1 HIS 59 13.871 -13.601 15.441 440 HD2 HIS 59 HD2 HIS 59 15.540 -9.981 16.640 441 HE1 HIS 59 HE1 HIS 59 14.825 -12.567 13.358 442 HE2 HIS 59 HE2 HIS 59 15.657 -10.298 14.070 443 H ALA 60 HN ALA 60 12.081 -10.927 20.223 444 HA ALA 60 HA ALA 60 12.083 -13.211 21.990 445 1HB ALA 60 HB1 ALA 60 13.065 -11.057 22.671 446 2HB ALA 60 HB2 ALA 60 11.801 -11.599 23.774 447 3HB ALA 60 HB3 ALA 60 11.462 -10.325 22.605 448 H THR 61 HN THR 61 9.669 -10.747 21.043 449 HA THR 61 HA THR 61 7.610 -12.133 22.535 450 HB THR 61 HB THR 61 6.114 -10.305 21.655 451 HG1 THR 61 HG1 THR 61 8.592 -9.286 20.662 452 1HG2 THR 61 HG21 THR 61 8.612 -9.392 23.084 453 2HG2 THR 61 HG22 THR 61 7.219 -10.158 23.847 454 3HG2 THR 61 HG23 THR 61 7.047 -8.575 23.088 455 H GLY 62 HN GLY 62 8.614 -11.845 19.209 456 1HA GLY 62 HA2 GLY 62 7.933 -13.124 17.398 457 2HA GLY 62 HA1 GLY 62 6.698 -13.856 18.414 458 H HIS 63 HN HIS 63 7.313 -10.451 17.621 459 HA HIS 63 HA HIS 63 4.584 -10.331 16.513 460 1HB HIS 63 HB2 HIS 63 6.151 -8.169 17.939 461 2HB HIS 63 HB1 HIS 63 4.599 -7.913 17.144 462 HD2 HIS 63 HD2 HIS 63 3.368 -10.823 18.376 463 HE1 HIS 63 HE1 HIS 63 3.798 -8.708 22.006 464 HE2 HIS 63 HE2 HIS 63 2.528 -10.544 20.808 465 HA PRO 64 HA PRO 64 7.389 -9.655 13.048 466 1HB PRO 64 HB2 PRO 64 5.782 -10.631 11.125 467 2HB PRO 64 HB1 PRO 64 6.644 -11.681 12.255 468 1HG PRO 64 HG2 PRO 64 3.783 -10.809 12.284 469 2HG PRO 64 HG1 PRO 64 4.470 -12.407 12.627 470 1HD PRO 64 HD2 PRO 64 3.713 -10.619 14.562 471 2HD PRO 64 HD1 PRO 64 4.955 -11.864 14.796 472 H ILE 65 HN ILE 65 4.198 -8.314 13.500 473 HA ILE 65 HA ILE 65 4.653 -6.560 11.192 474 HB ILE 65 HB ILE 65 2.074 -7.185 12.619 475 1HG1 ILE 65 HG12 ILE 65 3.092 -7.693 9.816 476 2HG1 ILE 65 HG11 ILE 65 2.807 -8.900 11.063 477 1HG2 ILE 65 HG21 ILE 65 2.614 -5.193 10.414 478 2HG2 ILE 65 HG22 ILE 65 2.073 -4.831 12.054 479 3HG2 ILE 65 HG23 ILE 65 1.010 -5.701 10.947 480 1HD1 ILE 65 HD11 ILE 65 0.423 -8.434 10.980 481 2HD1 ILE 65 HD12 ILE 65 1.042 -8.894 9.393 482 3HD1 ILE 65 HD13 ILE 65 0.702 -7.200 9.751 483 H ILE 66 HN ILE 66 5.207 -4.609 11.441 484 HA ILE 66 HA ILE 66 4.624 -3.177 13.941 485 HB ILE 66 HB ILE 66 6.873 -2.063 13.641 486 1HG1 ILE 66 HG12 ILE 66 7.269 -4.402 11.762 487 2HG1 ILE 66 HG11 ILE 66 7.253 -2.701 11.314 488 1HG2 ILE 66 HG21 ILE 66 8.116 -3.886 14.717 489 2HG2 ILE 66 HG22 ILE 66 6.854 -5.022 14.237 490 3HG2 ILE 66 HG23 ILE 66 6.490 -3.726 15.378 491 1HD1 ILE 66 HD11 ILE 66 9.287 -4.051 13.065 492 2HD1 ILE 66 HD12 ILE 66 9.272 -2.342 12.628 493 3HD1 ILE 66 HD13 ILE 66 9.506 -3.569 11.382 494 H GLU 67 HN GLU 67 4.724 -0.829 13.662 495 HA GLU 67 HA GLU 67 4.238 0.037 10.894 496 1HB GLU 67 HB2 GLU 67 2.097 -0.154 12.014 497 2HB GLU 67 HB1 GLU 67 2.688 0.770 13.386 498 1HG GLU 67 HG2 GLU 67 2.820 2.762 12.054 499 2HG GLU 67 HG1 GLU 67 2.409 1.858 10.596 500 H GLY 68 HN GLY 68 4.882 2.157 10.406 501 1HA GLY 68 HA2 GLY 68 7.149 3.123 11.815 502 2HA GLY 68 HA1 GLY 68 6.310 3.957 10.514 503 H TYR 69 HN TYR 69 6.970 3.906 13.814 504 HA TYR 69 HA TYR 69 4.597 5.361 14.628 505 1HB TYR 69 HB2 TYR 69 5.658 3.663 16.107 506 2HB TYR 69 HB1 TYR 69 7.086 4.685 16.212 507 HD1 TYR 69 HD1 TYR 69 7.178 6.498 17.733 508 HD2 TYR 69 HD2 TYR 69 3.489 4.489 17.067 509 HE1 TYR 69 HE1 TYR 69 6.193 7.681 19.648 510 HE2 TYR 69 HE2 TYR 69 2.493 5.669 18.980 511 HH TYR 69 HH TYR 69 3.472 6.765 21.175 512 H ASP 70 HN ASP 70 8.057 5.967 14.179 513 HA ASP 70 HA ASP 70 7.779 8.721 14.958 514 1HB ASP 70 HB2 ASP 70 10.093 8.907 14.853 515 2HB ASP 70 HB1 ASP 70 9.871 7.212 15.245 516 HA PRO 71 HA PRO 71 7.904 9.562 10.299 517 1HB PRO 71 HB2 PRO 71 7.545 7.330 8.631 518 2HB PRO 71 HB1 PRO 71 9.066 8.162 8.949 519 1HG PRO 71 HG2 PRO 71 8.403 5.536 9.704 520 2HG PRO 71 HG1 PRO 71 9.801 6.473 10.257 521 1HD PRO 71 HD2 PRO 71 7.190 5.986 11.603 522 2HD PRO 71 HD1 PRO 71 8.806 6.201 12.308 523 HA PRO 72 HA PRO 72 3.409 9.330 10.567 524 1HB PRO 72 HB2 PRO 72 3.433 11.833 9.069 525 2HB PRO 72 HB1 PRO 72 2.917 11.531 10.730 526 1HG PRO 72 HG2 PRO 72 5.142 12.947 10.131 527 2HG PRO 72 HG1 PRO 72 5.001 11.956 11.595 528 1HD PRO 72 HD2 PRO 72 6.377 11.328 9.007 529 2HD PRO 72 HD1 PRO 72 6.924 11.036 10.673 530 H GLU 73 HN GLU 73 4.970 8.154 8.249 531 HA GLU 73 HA GLU 73 3.455 8.857 5.898 532 1HB GLU 73 HB2 GLU 73 5.434 6.645 6.446 533 2HB GLU 73 HB1 GLU 73 4.697 6.932 4.876 534 1HG GLU 73 HG2 GLU 73 6.425 8.879 6.381 535 2HG GLU 73 HG1 GLU 73 6.955 7.856 5.047 536 H GLY 74 HN GLY 74 3.317 6.474 8.424 537 1HA GLY 74 HA2 GLY 74 1.626 5.014 8.992 538 2HA GLY 74 HA1 GLY 74 0.667 5.704 7.691 539 H TRP 75 HN TRP 75 3.436 3.541 8.236 540 HA TRP 75 HA TRP 75 2.346 1.798 6.147 541 1HB TRP 75 HB2 TRP 75 4.701 1.267 5.444 542 2HB TRP 75 HB1 TRP 75 4.170 2.896 5.048 543 HD1 TRP 75 HD1 TRP 75 5.451 4.896 6.135 544 HE1 TRP 75 HE1 TRP 75 7.620 5.084 7.506 545 HE3 TRP 75 HE3 TRP 75 6.125 -0.044 7.263 546 HZ2 TRP 75 HZ2 TRP 75 9.383 3.364 8.881 547 HZ3 TRP 75 HZ3 TRP 75 8.082 -0.687 8.608 548 HH2 TRP 75 HH2 TRP 75 9.677 0.981 9.399 549 H GLY 76 HN GLY 76 2.831 -0.406 6.369 550 1HA GLY 76 HA2 GLY 76 3.684 -1.156 9.094 551 2HA GLY 76 HA1 GLY 76 2.410 -1.989 8.213 552 H TRP 77 HN TRP 77 5.155 -2.694 9.338 553 HA TRP 77 HA TRP 77 6.246 -3.938 6.897 554 1HB TRP 77 HB2 TRP 77 7.787 -2.299 7.879 555 2HB TRP 77 HB1 TRP 77 7.682 -3.109 9.435 556 HD1 TRP 77 HD1 TRP 77 9.352 -5.054 9.871 557 HE1 TRP 77 HE1 TRP 77 11.206 -6.185 8.483 558 HE3 TRP 77 HE3 TRP 77 8.323 -2.981 5.314 559 HZ2 TRP 77 HZ2 TRP 77 12.101 -6.195 5.806 560 HZ3 TRP 77 HZ3 TRP 77 9.726 -3.602 3.391 561 HH2 TRP 77 HH2 TRP 77 11.576 -5.176 3.634 562 H CYS 78 HN CYS 78 6.447 -6.117 6.889 563 HA CYS 78 HA CYS 78 5.826 -7.521 9.409 564 1HB CYS 78 HB2 CYS 78 4.167 -7.702 7.448 565 2HB CYS 78 HB1 CYS 78 5.399 -8.668 6.652 566 H TYR 79 HN TYR 79 7.713 -8.160 10.222 567 HA TYR 79 HA TYR 79 10.159 -8.290 9.021 568 1HB TYR 79 HB2 TYR 79 9.062 -9.829 11.357 569 2HB TYR 79 HB1 TYR 79 10.734 -10.009 10.849 570 HD1 TYR 79 HD1 TYR 79 12.173 -7.880 10.781 571 HD2 TYR 79 HD2 TYR 79 8.452 -8.110 12.829 572 HE1 TYR 79 HE1 TYR 79 12.832 -5.968 12.179 573 HE2 TYR 79 HE2 TYR 79 9.096 -6.191 14.224 574 HH TYR 79 HH TYR 79 11.165 -5.099 15.001 575 H VAL 80 HN VAL 80 7.999 -11.081 9.471 576 HA VAL 80 HA VAL 80 9.817 -12.929 8.323 577 HB VAL 80 HB VAL 80 7.925 -14.532 8.390 578 1HG1 VAL 80 HG11 VAL 80 7.710 -14.545 10.834 579 2HG1 VAL 80 HG12 VAL 80 8.348 -12.902 10.894 580 3HG1 VAL 80 HG13 VAL 80 9.368 -14.223 10.325 581 1HG2 VAL 80 HG21 VAL 80 6.094 -12.995 7.910 582 2HG2 VAL 80 HG22 VAL 80 6.372 -12.166 9.441 583 3HG2 VAL 80 HG23 VAL 80 5.815 -13.839 9.434 584 H ASP 81 HN ASP 81 7.530 -10.797 6.913 585 HA ASP 81 HA ASP 81 7.419 -12.360 4.433 586 1HB ASP 81 HB2 ASP 81 5.919 -9.883 5.307 587 2HB ASP 81 HB1 ASP 81 5.797 -10.575 3.695 588 H GLU 82 HN GLU 82 8.636 -9.403 5.802 589 HA GLU 82 HA GLU 82 10.014 -7.775 5.082 590 1HB GLU 82 HB2 GLU 82 10.748 -9.918 3.104 591 2HB GLU 82 HB1 GLU 82 11.486 -8.321 3.046 592 1HG GLU 82 HG2 GLU 82 12.213 -8.627 5.393 593 2HG GLU 82 HG1 GLU 82 11.582 -10.271 5.334 594 H VAL 83 HN VAL 83 7.251 -8.063 4.088 595 HA VAL 83 HA VAL 83 7.485 -6.333 1.728 596 HB VAL 83 HB VAL 83 5.107 -6.770 1.290 597 1HG1 VAL 83 HG11 VAL 83 6.746 -9.282 1.593 598 2HG1 VAL 83 HG12 VAL 83 6.766 -8.179 0.216 599 3HG1 VAL 83 HG13 VAL 83 5.311 -9.106 0.582 600 1HG2 VAL 83 HG21 VAL 83 3.898 -8.512 2.505 601 2HG2 VAL 83 HG22 VAL 83 4.361 -7.191 3.579 602 3HG2 VAL 83 HG23 VAL 83 5.267 -8.704 3.601 603 H MET 84 HN MET 84 6.761 -4.289 1.801 604 HA MET 84 HA MET 84 5.696 -3.340 4.374 605 1HB MET 84 HB2 MET 84 7.827 -2.323 3.628 606 2HB MET 84 HB1 MET 84 7.035 -1.772 2.159 607 1HG MET 84 HG2 MET 84 5.517 -0.394 3.510 608 2HG MET 84 HG1 MET 84 6.357 -0.922 4.966 609 1HE MET 84 HE1 MET 84 6.604 1.144 1.639 610 2HE MET 84 HE2 MET 84 7.880 -0.057 1.439 611 3HE MET 84 HE3 MET 84 8.297 1.643 1.653 612 H PHE 85 HN PHE 85 3.682 -2.626 4.470 613 HA PHE 85 HA PHE 85 2.326 -1.889 1.963 614 1HB PHE 85 HB2 PHE 85 0.220 -2.830 3.013 615 2HB PHE 85 HB1 PHE 85 1.420 -4.022 2.531 616 HD1 PHE 85 HD1 PHE 85 -0.345 -2.489 5.320 617 HD2 PHE 85 HD2 PHE 85 2.703 -5.243 4.210 618 HE1 PHE 85 HE1 PHE 85 -0.386 -3.447 7.585 619 HE2 PHE 85 HE2 PHE 85 2.667 -6.199 6.477 620 HZ PHE 85 HZ PHE 85 1.127 -5.296 8.168 621 H ASP 86 HN ASP 86 0.393 -0.463 2.371 622 HA ASP 86 HA ASP 86 1.247 1.602 4.215 623 1HB ASP 86 HB2 ASP 86 -0.206 3.070 3.101 624 2HB ASP 86 HB1 ASP 86 0.365 2.004 1.825 625 H LEU 87 HN LEU 87 0.171 2.313 5.985 626 HA LEU 87 HA LEU 87 -2.225 0.816 6.806 627 1HB LEU 87 HB2 LEU 87 0.296 1.311 8.348 628 2HB LEU 87 HB1 LEU 87 -1.229 1.148 9.194 629 HG LEU 87 HG LEU 87 0.017 -0.943 7.408 630 1HD1 LEU 87 HD11 LEU 87 1.218 -0.672 9.507 631 2HD1 LEU 87 HD12 LEU 87 0.313 -2.186 9.503 632 3HD1 LEU 87 HD13 LEU 87 -0.294 -0.799 10.406 633 1HD2 LEU 87 HD21 LEU 87 -1.781 -2.385 8.241 634 2HD2 LEU 87 HD22 LEU 87 -2.415 -1.012 7.334 635 3HD2 LEU 87 HD23 LEU 87 -2.482 -1.012 9.096 636 H SER 88 HN SER 88 -1.350 3.668 5.807 637 HA SER 88 HA SER 88 -1.743 5.517 7.854 638 1HB SER 88 HB2 SER 88 -0.833 6.052 5.605 639 2HB SER 88 HB1 SER 88 -2.452 5.870 4.931 640 HG SER 88 HG SER 88 -2.692 7.534 6.948 641 H ASP 89 HN ASP 89 -4.039 3.594 6.147 642 HA ASP 89 HA ASP 89 -6.379 5.117 6.623 643 1HB ASP 89 HB2 ASP 89 -6.362 3.394 4.934 644 2HB ASP 89 HB1 ASP 89 -5.944 2.165 6.121 645 H ARG 90 HN ARG 90 -4.436 3.148 8.667 646 HA ARG 90 HA ARG 90 -6.429 3.325 10.829 647 1HB ARG 90 HB2 ARG 90 -4.813 0.819 10.380 648 2HB ARG 90 HB1 ARG 90 -6.210 1.039 11.421 649 1HG ARG 90 HG2 ARG 90 -7.699 1.018 9.609 650 2HG ARG 90 HG1 ARG 90 -6.402 1.251 8.436 651 1HD ARG 90 HD2 ARG 90 -5.495 -0.992 9.262 652 2HD ARG 90 HD1 ARG 90 -7.070 -1.208 10.026 653 HE ARG 90 HE ARG 90 -8.070 -1.123 7.824 654 1HH1 ARG 90 HH11 ARG 90 -4.603 -1.522 7.951 655 2HH1 ARG 90 HH12 ARG 90 -4.469 -2.168 6.346 656 1HH2 ARG 90 HH21 ARG 90 -7.928 -1.999 5.703 657 2HH2 ARG 90 HH22 ARG 90 -6.368 -2.435 5.060 658 H MET 91 HN MET 91 -3.807 4.636 10.083 659 HA MET 91 HA MET 91 -1.676 3.330 11.376 660 1HB MET 91 HB2 MET 91 -0.354 5.281 10.903 661 2HB MET 91 HB1 MET 91 -1.382 4.932 9.522 662 1HG MET 91 HG2 MET 91 -2.861 6.726 10.090 663 2HG MET 91 HG1 MET 91 -2.005 7.008 11.606 664 1HE MET 91 HE1 MET 91 1.485 8.268 10.295 665 2HE MET 91 HE2 MET 91 1.018 6.605 10.653 666 3HE MET 91 HE3 MET 91 0.517 7.913 11.726 667 H THR 92 HN THR 92 -0.551 3.727 13.221 668 HA THR 92 HA THR 92 -1.984 5.191 15.324 669 HB THR 92 HB THR 92 0.445 3.440 15.704 670 HG1 THR 92 HG1 THR 92 -1.104 2.161 14.674 671 1HG2 THR 92 HG21 THR 92 -0.218 4.866 17.584 672 2HG2 THR 92 HG22 THR 92 -0.479 3.162 17.956 673 3HG2 THR 92 HG23 THR 92 -1.846 4.190 17.526 674 HA PRO 93 HA PRO 93 1.236 8.223 14.342 675 1HB PRO 93 HB2 PRO 93 -0.066 10.383 15.266 676 2HB PRO 93 HB1 PRO 93 -0.488 9.626 13.726 677 1HG PRO 93 HG2 PRO 93 -1.834 9.396 16.385 678 2HG PRO 93 HG1 PRO 93 -2.555 9.532 14.771 679 1HD PRO 93 HD2 PRO 93 -2.267 7.169 16.152 680 2HD PRO 93 HD1 PRO 93 -2.400 7.288 14.387 681 H HIS 94 HN HIS 94 2.654 9.550 15.591 682 HA HIS 94 HA HIS 94 2.983 8.631 18.285 683 1HB HIS 94 HB2 HIS 94 4.867 10.377 18.327 684 2HB HIS 94 HB1 HIS 94 5.043 9.002 17.250 685 HD1 HIS 94 HD1 HIS 94 5.284 9.467 14.787 686 HD2 HIS 94 HD2 HIS 94 4.392 12.875 17.003 687 HE1 HIS 94 HE1 HIS 94 5.639 11.406 13.223 688 HE2 HIS 94 HE2 HIS 94 5.318 13.459 14.652 689 H ASN 95 HN ASN 95 1.842 9.320 19.891 690 HA ASN 95 HA ASN 95 0.246 11.703 19.631 691 1HB ASN 95 HB2 ASN 95 -0.820 10.982 21.708 692 2HB ASN 95 HB1 ASN 95 -0.714 9.643 20.571 693 1HD2 ASN 95 HD21 ASN 95 0.641 7.911 21.034 694 2HD2 ASN 95 HD22 ASN 95 1.347 7.672 22.601 695 H GLY 96 HN GLY 96 3.221 10.877 21.130 696 1HA GLY 96 HA2 GLY 96 3.050 13.255 22.860 697 2HA GLY 96 HA1 GLY 96 4.117 11.891 23.138 698 HA PRO 97 HA PRO 97 6.234 15.305 20.608 699 1HB PRO 97 HB2 PRO 97 7.441 16.343 23.040 700 2HB PRO 97 HB1 PRO 97 6.471 17.194 21.837 701 1HG PRO 97 HG2 PRO 97 5.605 16.685 24.369 702 2HG PRO 97 HG1 PRO 97 4.517 16.848 22.980 703 1HD PRO 97 HD2 PRO 97 5.511 14.367 24.331 704 2HD PRO 97 HD1 PRO 97 3.893 14.733 23.693 705 H ILE 98 HN ILE 98 7.537 13.695 19.818 706 HA ILE 98 HA ILE 98 9.430 12.317 21.498 707 HB ILE 98 HB ILE 98 9.126 12.274 18.491 708 1HG1 ILE 98 HG12 ILE 98 8.088 10.364 20.596 709 2HG1 ILE 98 HG11 ILE 98 7.110 11.494 19.663 710 1HG2 ILE 98 HG21 ILE 98 10.406 10.187 18.595 711 2HG2 ILE 98 HG22 ILE 98 10.627 10.414 20.329 712 3HG2 ILE 98 HG23 ILE 98 11.341 11.558 19.193 713 1HD1 ILE 98 HD11 ILE 98 6.930 9.241 18.788 714 2HD1 ILE 98 HD12 ILE 98 8.677 9.178 18.550 715 3HD1 ILE 98 HD13 ILE 98 7.698 10.309 17.614 716 HA PRO 99 HA PRO 99 12.660 15.412 21.038 717 1HB PRO 99 HB2 PRO 99 14.326 13.127 21.941 718 2HB PRO 99 HB1 PRO 99 14.199 14.758 22.609 719 1HG PRO 99 HG2 PRO 99 13.101 12.676 23.863 720 2HG PRO 99 HG1 PRO 99 12.294 14.255 23.828 721 1HD PRO 99 HD2 PRO 99 11.709 11.789 22.237 722 2HD PRO 99 HD1 PRO 99 10.585 12.962 22.957 723 H ARG 100 HN ARG 100 13.373 15.825 19.055 724 HA ARG 100 HA ARG 100 13.947 13.696 17.186 725 1HB ARG 100 HB2 ARG 100 12.763 15.782 16.519 726 2HB ARG 100 HB1 ARG 100 14.226 16.693 16.862 727 1HG ARG 100 HG2 ARG 100 14.157 16.396 14.529 728 2HG ARG 100 HG1 ARG 100 15.379 15.274 15.129 729 1HD ARG 100 HD2 ARG 100 13.786 13.441 15.000 730 2HD ARG 100 HD1 ARG 100 12.524 14.553 14.469 731 HE ARG 100 HE ARG 100 14.968 14.254 12.855 732 1HH1 ARG 100 HH11 ARG 100 11.499 13.866 13.222 733 2HH1 ARG 100 HH12 ARG 100 11.237 13.500 11.539 734 1HH2 ARG 100 HH21 ARG 100 14.614 13.777 10.636 735 2HH2 ARG 100 HH22 ARG 100 13.003 13.465 10.074 736 H TYR 101 HN TYR 101 15.840 12.660 17.477 737 HA TYR 101 HA TYR 101 18.186 14.120 18.373 738 1HB TYR 101 HB2 TYR 101 17.757 11.201 17.718 739 2HB TYR 101 HB1 TYR 101 19.295 11.870 18.251 740 HD1 TYR 101 HD1 TYR 101 19.419 12.927 20.549 741 HD2 TYR 101 HD2 TYR 101 16.092 10.604 19.273 742 HE1 TYR 101 HE1 TYR 101 18.760 12.594 22.895 743 HE2 TYR 101 HE2 TYR 101 15.422 10.269 21.614 744 HH TYR 101 HH TYR 101 16.563 10.269 23.870 745 H VAL 102 HN VAL 102 16.778 13.042 15.446 746 HA VAL 102 HA VAL 102 19.265 13.629 14.000 747 HB VAL 102 HB VAL 102 18.106 12.450 12.053 748 1HG1 VAL 102 HG11 VAL 102 18.787 10.844 14.515 749 2HG1 VAL 102 HG12 VAL 102 19.944 11.480 13.346 750 3HG1 VAL 102 HG13 VAL 102 18.782 10.248 12.855 751 1HG2 VAL 102 HG21 VAL 102 15.828 12.459 12.937 752 2HG2 VAL 102 HG22 VAL 102 16.340 11.457 14.295 753 3HG2 VAL 102 HG23 VAL 102 16.381 10.807 12.656 Start of MODEL 3 1 1H MET 1 HT1 MET 1 6.064 1.122 -0.682 2 2H MET 1 HT2 MET 1 5.010 2.062 0.255 3 3H MET 1 HT3 MET 1 4.686 1.812 -1.392 4 HA MET 1 HA MET 1 4.673 -0.254 0.730 5 1HB MET 1 HB2 MET 1 2.709 1.145 0.872 6 2HB MET 1 HB1 MET 1 2.464 1.060 -0.867 7 1HG MET 1 HG2 MET 1 1.950 -1.301 -0.707 8 2HG MET 1 HG1 MET 1 2.272 -1.273 1.025 9 1HE MET 1 HE1 MET 1 0.440 1.526 -1.061 10 2HE MET 1 HE2 MET 1 -1.238 0.994 -0.949 11 3HE MET 1 HE3 MET 1 -0.067 0.034 -1.853 12 H THR 2 HN THR 2 4.861 -2.307 0.039 13 HA THR 2 HA THR 2 4.872 -2.727 -2.863 14 HB THR 2 HB THR 2 6.950 -3.432 -2.047 15 HG1 THR 2 HG1 THR 2 5.952 -5.006 -3.401 16 1HG2 THR 2 HG21 THR 2 6.339 -3.457 0.359 17 2HG2 THR 2 HG22 THR 2 7.338 -4.825 -0.130 18 3HG2 THR 2 HG23 THR 2 5.608 -5.044 0.118 19 H MET 3 HN MET 3 3.903 -4.576 0.060 20 HA MET 3 HA MET 3 1.328 -5.173 -1.048 21 1HB MET 3 HB2 MET 3 3.488 -7.259 -1.034 22 2HB MET 3 HB1 MET 3 1.819 -7.731 -0.762 23 1HG MET 3 HG2 MET 3 2.880 -6.308 -3.192 24 2HG MET 3 HG1 MET 3 2.459 -8.017 -3.086 25 1HE MET 3 HE1 MET 3 -0.365 -6.519 -5.371 26 2HE MET 3 HE2 MET 3 0.918 -7.723 -5.244 27 3HE MET 3 HE3 MET 3 1.323 -6.009 -5.317 28 H GLY 4 HN GLY 4 -0.058 -6.215 0.465 29 1HA GLY 4 HA2 GLY 4 0.908 -6.165 3.230 30 2HA GLY 4 HA1 GLY 4 -0.772 -6.291 2.717 31 H CYS 5 HN CYS 5 -0.927 -8.111 4.242 32 HA CYS 5 HA CYS 5 -0.570 -10.589 2.910 33 1HB CYS 5 HB2 CYS 5 1.048 -11.654 4.350 34 2HB CYS 5 HB1 CYS 5 1.766 -10.204 3.658 35 H ARG 6 HN ARG 6 -1.183 -12.452 4.286 36 HA ARG 6 HA ARG 6 -3.656 -12.137 5.463 37 1HB ARG 6 HB2 ARG 6 -3.337 -14.429 6.340 38 2HB ARG 6 HB1 ARG 6 -2.854 -14.275 4.655 39 1HG ARG 6 HG2 ARG 6 -0.499 -14.081 5.393 40 2HG ARG 6 HG1 ARG 6 -1.031 -14.368 7.050 41 1HD ARG 6 HD2 ARG 6 -1.405 -16.258 4.731 42 2HD ARG 6 HD1 ARG 6 -0.168 -16.402 5.978 43 HE ARG 6 HE ARG 6 -2.923 -16.335 6.912 44 1HH1 ARG 6 HH11 ARG 6 -0.118 -18.271 6.084 45 2HH1 ARG 6 HH12 ARG 6 -0.711 -19.697 6.879 46 1HH2 ARG 6 HH21 ARG 6 -3.710 -18.199 7.946 47 2HH2 ARG 6 HH22 ARG 6 -2.763 -19.659 7.941 48 H HIS 7 HN HIS 7 -0.520 -11.895 6.959 49 HA HIS 7 HA HIS 7 -1.233 -12.272 9.641 50 1HB HIS 7 HB2 HIS 7 1.011 -10.606 8.487 51 2HB HIS 7 HB1 HIS 7 0.866 -11.066 10.179 52 HD2 HIS 7 HD2 HIS 7 0.217 -14.232 9.792 53 HE1 HIS 7 HE1 HIS 7 3.852 -14.224 7.629 54 HE2 HIS 7 HE2 HIS 7 2.051 -15.681 8.657 55 H VAL 8 HN VAL 8 -1.751 -9.598 7.535 56 HA VAL 8 HA VAL 8 -1.767 -7.494 9.394 57 HB VAL 8 HB VAL 8 -1.959 -7.559 6.718 58 1HG1 VAL 8 HG11 VAL 8 -4.294 -8.349 6.760 59 2HG1 VAL 8 HG12 VAL 8 -4.109 -6.789 5.957 60 3HG1 VAL 8 HG13 VAL 8 -4.748 -6.864 7.600 61 1HG2 VAL 8 HG21 VAL 8 -2.430 -5.161 6.805 62 2HG2 VAL 8 HG22 VAL 8 -1.280 -5.649 8.050 63 3HG2 VAL 8 HG23 VAL 8 -2.961 -5.330 8.478 64 H ALA 9 HN ALA 9 -4.124 -9.962 8.694 65 HA ALA 9 HA ALA 9 -6.302 -8.592 9.982 66 1HB ALA 9 HB1 ALA 9 -7.520 -10.682 9.704 67 2HB ALA 9 HB2 ALA 9 -6.033 -11.494 9.216 68 3HB ALA 9 HB3 ALA 9 -6.713 -10.218 8.207 69 H GLY 10 HN GLY 10 -3.546 -9.923 11.189 70 1HA GLY 10 HA2 GLY 10 -4.836 -10.906 13.646 71 2HA GLY 10 HA1 GLY 10 -3.174 -11.223 13.170 72 H ILE 11 HN ILE 11 -3.553 -8.098 12.438 73 HA ILE 11 HA ILE 11 -2.492 -7.233 15.034 74 HB ILE 11 HB ILE 11 -1.667 -5.234 13.862 75 1HG1 ILE 11 HG12 ILE 11 -2.801 -6.591 11.408 76 2HG1 ILE 11 HG11 ILE 11 -3.358 -5.081 12.113 77 1HG2 ILE 11 HG21 ILE 11 0.065 -6.368 12.509 78 2HG2 ILE 11 HG22 ILE 11 -0.859 -7.865 12.639 79 3HG2 ILE 11 HG23 ILE 11 -0.187 -7.114 14.087 80 1HD1 ILE 11 HD11 ILE 11 -2.005 -4.798 10.077 81 2HD1 ILE 11 HD12 ILE 11 -0.628 -5.503 10.929 82 3HD1 ILE 11 HD13 ILE 11 -1.324 -3.981 11.488 83 H ARG 12 HN ARG 12 -3.216 -5.270 15.972 84 HA ARG 12 HA ARG 12 -5.797 -4.302 14.977 85 1HB ARG 12 HB2 ARG 12 -6.468 -3.973 17.409 86 2HB ARG 12 HB1 ARG 12 -6.480 -5.622 16.809 87 1HG ARG 12 HG2 ARG 12 -4.086 -4.568 18.256 88 2HG ARG 12 HG1 ARG 12 -5.506 -5.115 19.150 89 1HD ARG 12 HD2 ARG 12 -5.360 -7.283 17.957 90 2HD ARG 12 HD1 ARG 12 -3.876 -6.725 17.189 91 HE ARG 12 HE ARG 12 -3.564 -6.481 19.954 92 1HH1 ARG 12 HH11 ARG 12 -3.944 -8.982 17.533 93 2HH1 ARG 12 HH12 ARG 12 -3.070 -10.175 18.444 94 1HH2 ARG 12 HH21 ARG 12 -2.415 -8.045 21.157 95 2HH2 ARG 12 HH22 ARG 12 -2.195 -9.643 20.500 96 H THR 13 HN THR 13 -6.359 -2.143 15.981 97 HA THR 13 HA THR 13 -4.037 -0.443 15.757 98 HB THR 13 HB THR 13 -6.847 0.425 16.446 99 HG1 THR 13 HG1 THR 13 -7.372 0.182 14.382 100 1HG2 THR 13 HG21 THR 13 -4.547 1.825 15.072 101 2HG2 THR 13 HG22 THR 13 -5.083 2.108 16.729 102 3HG2 THR 13 HG23 THR 13 -6.141 2.516 15.378 103 H VAL 14 HN VAL 14 -2.740 -0.388 17.428 104 HA VAL 14 HA VAL 14 -3.776 -0.769 20.118 105 HB VAL 14 HB VAL 14 -1.404 -1.056 20.753 106 1HG1 VAL 14 HG11 VAL 14 -2.715 -2.986 20.037 107 2HG1 VAL 14 HG12 VAL 14 -1.021 -3.155 19.574 108 3HG1 VAL 14 HG13 VAL 14 -2.225 -2.704 18.367 109 1HG2 VAL 14 HG21 VAL 14 0.331 -1.123 19.035 110 2HG2 VAL 14 HG22 VAL 14 -0.416 0.473 19.110 111 3HG2 VAL 14 HG23 VAL 14 -0.848 -0.644 17.814 112 H THR 15 HN THR 15 -2.286 0.480 21.797 113 HA THR 15 HA THR 15 -2.336 3.331 21.060 114 HB THR 15 HB THR 15 -2.693 2.126 23.821 115 HG1 THR 15 HG1 THR 15 -4.627 3.205 22.006 116 1HG2 THR 15 HG21 THR 15 -1.778 4.399 23.852 117 2HG2 THR 15 HG22 THR 15 -3.435 4.375 24.457 118 3HG2 THR 15 HG23 THR 15 -3.101 4.950 22.824 119 HA PRO 16 HA PRO 16 2.069 3.232 21.619 120 1HB PRO 16 HB2 PRO 16 1.800 6.066 22.426 121 2HB PRO 16 HB1 PRO 16 2.740 5.354 21.110 122 1HG PRO 16 HG2 PRO 16 0.506 6.736 20.623 123 2HG PRO 16 HG1 PRO 16 0.935 5.305 19.668 124 1HD PRO 16 HD2 PRO 16 -1.067 5.583 21.873 125 2HD PRO 16 HD1 PRO 16 -1.175 4.659 20.360 126 H SER 17 HN SER 17 2.965 2.318 23.331 127 HA SER 17 HA SER 17 2.172 2.869 26.014 128 1HB SER 17 HB2 SER 17 2.964 0.649 25.306 129 2HB SER 17 HB1 SER 17 4.547 1.326 24.936 130 HG SER 17 HG SER 17 4.947 0.742 26.914 131 H ALA 18 HN ALA 18 4.585 4.107 23.863 132 HA ALA 18 HA ALA 18 5.392 6.052 25.868 133 1HB ALA 18 HB1 ALA 18 7.386 4.303 24.426 134 2HB ALA 18 HB2 ALA 18 7.033 4.280 26.155 135 3HB ALA 18 HB3 ALA 18 7.786 5.699 25.426 136 H LEU 19 HN LEU 19 6.881 7.724 24.822 137 HA LEU 19 HA LEU 19 5.802 8.423 22.202 138 1HB LEU 19 HB2 LEU 19 7.508 9.901 24.199 139 2HB LEU 19 HB1 LEU 19 7.231 10.519 22.585 140 HG LEU 19 HG LEU 19 4.770 10.517 23.086 141 1HD1 LEU 19 HD11 LEU 19 5.711 9.986 25.900 142 2HD1 LEU 19 HD12 LEU 19 4.747 8.899 24.901 143 3HD1 LEU 19 HD13 LEU 19 4.074 10.442 25.426 144 1HD2 LEU 19 HD21 LEU 19 4.858 12.547 24.435 145 2HD2 LEU 19 HD22 LEU 19 6.118 12.542 23.201 146 3HD2 LEU 19 HD23 LEU 19 6.526 12.185 24.879 147 H GLY 20 HN GLY 20 8.927 7.879 23.755 148 1HA GLY 20 HA2 GLY 20 10.170 7.630 21.104 149 2HA GLY 20 HA1 GLY 20 11.035 7.877 22.616 150 H CYS 21 HN CYS 21 12.316 6.024 21.753 151 HA CYS 21 HA CYS 21 11.217 3.436 21.582 152 1HB CYS 21 HB2 CYS 21 13.426 3.978 20.669 153 2HB CYS 21 HB1 CYS 21 14.036 4.274 22.293 154 HG CYS 21 HG CYS 21 15.143 1.900 21.818 155 H GLU 22 HN GLU 22 10.397 2.208 23.112 156 HA GLU 22 HA GLU 22 10.106 3.104 25.748 157 1HB GLU 22 HB2 GLU 22 8.792 1.358 24.212 158 2HB GLU 22 HB1 GLU 22 9.749 0.215 25.142 159 1HG GLU 22 HG2 GLU 22 8.801 0.971 27.190 160 2HG GLU 22 HG1 GLU 22 8.008 2.326 26.386 161 H GLU 23 HN GLU 23 12.628 1.299 24.284 162 HA GLU 23 HA GLU 23 13.657 0.342 26.836 163 1HB GLU 23 HB2 GLU 23 13.881 -1.149 24.925 164 2HB GLU 23 HB1 GLU 23 14.745 0.091 24.025 165 1HG GLU 23 HG2 GLU 23 16.547 0.010 25.705 166 2HG GLU 23 HG1 GLU 23 15.694 -1.301 26.518 167 H CYS 24 HN CYS 24 14.764 2.421 24.168 168 HA CYS 24 HA CYS 24 17.175 3.200 25.310 169 1HB CYS 24 HB2 CYS 24 15.459 4.720 23.342 170 2HB CYS 24 HB1 CYS 24 17.165 5.022 23.660 171 HG CYS 24 HG CYS 24 18.089 3.315 21.980 172 H LEU 25 HN LEU 25 13.961 4.435 25.882 173 HA LEU 25 HA LEU 25 14.591 6.994 26.827 174 1HB LEU 25 HB2 LEU 25 12.305 5.145 27.453 175 2HB LEU 25 HB1 LEU 25 12.405 6.773 28.096 176 HG LEU 25 HG LEU 25 12.326 6.083 25.156 177 1HD1 LEU 25 HD11 LEU 25 10.050 6.955 25.214 178 2HD1 LEU 25 HD12 LEU 25 10.173 7.183 26.959 179 3HD1 LEU 25 HD13 LEU 25 10.220 5.558 26.277 180 1HD2 LEU 25 HD21 LEU 25 13.519 8.159 25.623 181 2HD2 LEU 25 HD22 LEU 25 12.160 8.734 26.589 182 3HD2 LEU 25 HD23 LEU 25 11.965 8.486 24.854 183 H LYS 26 HN LYS 26 15.009 3.912 28.382 184 HA LYS 26 HA LYS 26 14.867 4.868 31.062 185 1HB LYS 26 HB2 LYS 26 15.769 2.721 31.718 186 2HB LYS 26 HB1 LYS 26 14.559 2.486 30.466 187 1HG LYS 26 HG2 LYS 26 16.381 2.291 28.804 188 2HG LYS 26 HG1 LYS 26 17.545 2.403 30.124 189 1HD LYS 26 HD2 LYS 26 15.404 0.293 29.912 190 2HD LYS 26 HD1 LYS 26 17.073 0.075 29.384 191 1HE LYS 26 HE2 LYS 26 17.807 0.593 31.706 192 2HE LYS 26 HE1 LYS 26 16.111 0.630 32.188 193 1HZ LYS 26 HZ1 LYS 26 17.459 -1.715 30.962 194 2HZ LYS 26 HZ2 LYS 26 15.881 -1.666 31.577 195 3HZ LYS 26 HZ3 LYS 26 17.203 -1.519 32.627 196 H ILE 27 HN ILE 27 17.430 4.732 28.685 197 HA ILE 27 HA ILE 27 19.300 5.748 30.726 198 HB ILE 27 HB ILE 27 21.137 5.044 29.214 199 1HG1 ILE 27 HG12 ILE 27 18.909 3.710 27.657 200 2HG1 ILE 27 HG11 ILE 27 19.913 5.041 27.097 201 1HG2 ILE 27 HG21 ILE 27 20.477 3.643 31.077 202 2HG2 ILE 27 HG22 ILE 27 20.972 2.651 29.706 203 3HG2 ILE 27 HG23 ILE 27 19.261 2.852 30.076 204 1HD1 ILE 27 HD11 ILE 27 21.876 3.595 27.181 205 2HD1 ILE 27 HD12 ILE 27 20.623 2.933 26.130 206 3HD1 ILE 27 HD13 ILE 27 20.869 2.261 27.742 207 H GLY 28 HN GLY 28 17.470 6.637 28.079 208 1HA GLY 28 HA2 GLY 28 17.299 8.663 26.998 209 2HA GLY 28 HA1 GLY 28 18.609 9.258 28.009 210 H SER 29 HN SER 29 18.662 6.479 25.825 211 HA SER 29 HA SER 29 21.018 7.591 24.542 212 1HB SER 29 HB2 SER 29 21.148 5.350 23.449 213 2HB SER 29 HB1 SER 29 21.128 5.264 25.207 214 HG SER 29 HG SER 29 19.363 4.267 23.392 215 HA PRO 30 HA PRO 30 18.902 9.116 20.983 216 1HB PRO 30 HB2 PRO 30 20.882 8.896 19.126 217 2HB PRO 30 HB1 PRO 30 20.859 10.146 20.376 218 1HG PRO 30 HG2 PRO 30 22.359 7.555 20.314 219 2HG PRO 30 HG1 PRO 30 22.918 9.161 20.822 220 1HD PRO 30 HD2 PRO 30 22.181 7.269 22.599 221 2HD PRO 30 HD1 PRO 30 21.905 8.999 22.891 222 H TRP 31 HN TRP 31 18.051 8.500 18.946 223 HA TRP 31 HA TRP 31 18.540 5.783 18.027 224 1HB TRP 31 HB2 TRP 31 16.061 5.392 17.809 225 2HB TRP 31 HB1 TRP 31 16.657 5.416 19.464 226 HD1 TRP 31 HD1 TRP 31 14.849 7.815 16.991 227 HE1 TRP 31 HE1 TRP 31 13.306 9.342 18.373 228 HE3 TRP 31 HE3 TRP 31 16.096 6.210 21.685 229 HZ2 TRP 31 HZ2 TRP 31 12.689 9.797 21.085 230 HZ3 TRP 31 HZ3 TRP 31 14.977 7.241 23.619 231 HH2 TRP 31 HH2 TRP 31 13.309 8.997 23.322 232 H VAL 32 HN VAL 32 17.622 5.407 15.867 233 HA VAL 32 HA VAL 32 17.789 7.861 14.287 234 HB VAL 32 HB VAL 32 17.776 4.991 13.334 235 1HG1 VAL 32 HG11 VAL 32 18.677 5.945 11.249 236 2HG1 VAL 32 HG12 VAL 32 18.465 7.564 11.915 237 3HG1 VAL 32 HG13 VAL 32 17.058 6.543 11.614 238 1HG2 VAL 32 HG21 VAL 32 20.087 6.869 13.813 239 2HG2 VAL 32 HG22 VAL 32 20.201 5.289 13.037 240 3HG2 VAL 32 HG23 VAL 32 19.716 5.409 14.729 241 H HIS 33 HN HIS 33 15.717 4.981 14.590 242 HA HIS 33 HA HIS 33 13.434 6.623 13.814 243 1HB HIS 33 HB2 HIS 33 14.288 4.100 12.407 244 2HB HIS 33 HB1 HIS 33 12.613 4.636 12.398 245 HD1 HIS 33 HD1 HIS 33 12.375 7.275 11.493 246 HD2 HIS 33 HD2 HIS 33 15.703 5.059 10.325 247 HE1 HIS 33 HE1 HIS 33 13.269 8.414 9.439 248 HE2 HIS 33 HE2 HIS 33 15.137 6.930 8.628 249 H LEU 34 HN LEU 34 11.371 5.617 14.314 250 HA LEU 34 HA LEU 34 11.558 3.692 16.541 251 1HB LEU 34 HB2 LEU 34 9.849 6.180 16.431 252 2HB LEU 34 HB1 LEU 34 9.769 4.958 17.683 253 HG LEU 34 HG LEU 34 12.142 6.729 17.109 254 1HD1 LEU 34 HD11 LEU 34 10.169 6.732 19.389 255 2HD1 LEU 34 HD12 LEU 34 10.254 7.926 18.094 256 3HD1 LEU 34 HD13 LEU 34 11.585 7.772 19.240 257 1HD2 LEU 34 HD21 LEU 34 12.822 4.547 17.934 258 2HD2 LEU 34 HD22 LEU 34 11.677 4.677 19.269 259 3HD2 LEU 34 HD23 LEU 34 13.053 5.777 19.176 260 H ARG 35 HN ARG 35 10.014 2.142 16.573 261 HA ARG 35 HA ARG 35 7.764 2.421 14.718 262 1HB ARG 35 HB2 ARG 35 9.581 0.010 14.898 263 2HB ARG 35 HB1 ARG 35 8.089 0.084 13.967 264 1HG ARG 35 HG2 ARG 35 9.019 1.838 12.570 265 2HG ARG 35 HG1 ARG 35 10.499 1.837 13.528 266 1HD ARG 35 HD2 ARG 35 10.871 -0.514 12.877 267 2HD ARG 35 HD1 ARG 35 9.440 -0.430 11.852 268 HE ARG 35 HE ARG 35 11.144 1.665 11.131 269 1HH1 ARG 35 HH11 ARG 35 11.052 -1.836 11.028 270 2HH1 ARG 35 HH12 ARG 35 12.106 -1.958 9.651 271 1HH2 ARG 35 HH21 ARG 35 12.522 1.512 9.314 272 2HH2 ARG 35 HH22 ARG 35 12.925 -0.054 8.663 273 H ILE 36 HN ILE 36 5.888 1.742 15.502 274 HA ILE 36 HA ILE 36 5.893 0.647 18.225 275 HB ILE 36 HB ILE 36 4.597 2.695 17.910 276 1HG1 ILE 36 HG12 ILE 36 2.799 0.295 18.321 277 2HG1 ILE 36 HG11 ILE 36 3.859 0.982 19.547 278 1HG2 ILE 36 HG21 ILE 36 4.027 2.482 15.561 279 2HG2 ILE 36 HG22 ILE 36 2.569 2.716 16.525 280 3HG2 ILE 36 HG23 ILE 36 2.977 1.111 15.919 281 1HD1 ILE 36 HD11 ILE 36 1.542 1.682 19.835 282 2HD1 ILE 36 HD12 ILE 36 1.564 2.407 18.227 283 3HD1 ILE 36 HD13 ILE 36 2.601 3.052 19.500 284 H CYS 37 HN CYS 37 5.224 -1.282 18.675 285 HA CYS 37 HA CYS 37 4.812 -3.167 16.566 286 1HB CYS 37 HB2 CYS 37 6.092 -3.699 18.561 287 2HB CYS 37 HB1 CYS 37 4.689 -3.394 19.570 288 H ARG 38 HN ARG 38 2.924 -3.453 15.581 289 HA ARG 38 HA ARG 38 0.513 -2.268 16.501 290 1HB ARG 38 HB2 ARG 38 1.131 -4.133 14.217 291 2HB ARG 38 HB1 ARG 38 -0.481 -3.503 14.515 292 1HG ARG 38 HG2 ARG 38 1.950 -1.804 14.012 293 2HG ARG 38 HG1 ARG 38 0.768 -2.264 12.786 294 1HD ARG 38 HD2 ARG 38 0.280 -0.602 15.253 295 2HD ARG 38 HD1 ARG 38 0.262 -0.051 13.578 296 HE ARG 38 HE ARG 38 -1.686 -2.038 14.543 297 1HH1 ARG 38 HH11 ARG 38 -0.936 1.041 13.043 298 2HH1 ARG 38 HH12 ARG 38 -2.587 1.353 12.594 299 1HH2 ARG 38 HH21 ARG 38 -3.854 -1.608 13.943 300 2HH2 ARG 38 HH22 ARG 38 -4.237 -0.132 13.117 301 H THR 39 HN THR 39 1.854 -4.920 17.755 302 HA THR 39 HA THR 39 -0.668 -6.399 17.925 303 HB THR 39 HB THR 39 1.968 -7.453 18.909 304 HG1 THR 39 HG1 THR 39 1.000 -7.779 16.249 305 1HG2 THR 39 HG21 THR 39 -0.491 -8.772 17.749 306 2HG2 THR 39 HG22 THR 39 -0.064 -8.702 19.459 307 3HG2 THR 39 HG23 THR 39 0.949 -9.607 18.333 308 H CYS 40 HN CYS 40 1.797 -4.822 19.911 309 HA CYS 40 HA CYS 40 0.058 -5.263 22.229 310 1HB CYS 40 HB2 CYS 40 1.897 -5.928 23.635 311 2HB CYS 40 HB1 CYS 40 1.889 -6.955 22.208 312 H GLY 41 HN GLY 41 1.438 -3.013 20.338 313 1HA GLY 41 HA2 GLY 41 1.451 -0.727 20.597 314 2HA GLY 41 HA1 GLY 41 0.873 -0.958 22.237 315 H HIS 42 HN HIS 42 3.748 -2.663 21.571 316 HA HIS 42 HA HIS 42 5.175 -0.920 23.395 317 1HB HIS 42 HB2 HIS 42 5.233 -3.467 23.476 318 2HB HIS 42 HB1 HIS 42 6.229 -3.401 22.027 319 HD1 HIS 42 HD1 HIS 42 6.365 -3.102 25.692 320 HD2 HIS 42 HD2 HIS 42 8.822 -2.205 22.457 321 HE1 HIS 42 HE1 HIS 42 8.673 -2.821 26.648 322 HE2 HIS 42 HE2 HIS 42 10.098 -2.089 24.704 323 H VAL 43 HN VAL 43 6.692 0.532 22.832 324 HA VAL 43 HA VAL 43 7.129 0.916 19.960 325 HB VAL 43 HB VAL 43 7.867 2.780 22.222 326 1HG1 VAL 43 HG11 VAL 43 9.128 3.172 20.178 327 2HG1 VAL 43 HG12 VAL 43 7.975 4.478 20.452 328 3HG1 VAL 43 HG13 VAL 43 7.631 3.237 19.248 329 1HG2 VAL 43 HG21 VAL 43 5.473 2.465 22.232 330 2HG2 VAL 43 HG22 VAL 43 5.396 2.734 20.491 331 3HG2 VAL 43 HG23 VAL 43 5.848 4.056 21.569 332 H GLY 44 HN GLY 44 9.002 0.469 18.997 333 1HA GLY 44 HA2 GLY 44 11.401 0.196 20.692 334 2HA GLY 44 HA1 GLY 44 10.984 -1.045 19.518 335 H CYS 45 HN CYS 45 13.414 0.452 19.580 336 HA CYS 45 HA CYS 45 13.278 2.444 17.515 337 1HB CYS 45 HB2 CYS 45 15.704 2.529 17.715 338 2HB CYS 45 HB1 CYS 45 14.976 2.537 19.318 339 HG CYS 45 HG CYS 45 16.481 -0.125 17.792 340 H CYS 46 HN CYS 46 14.111 2.275 15.434 341 HA CYS 46 HA CYS 46 13.584 -0.089 14.034 342 1HB CYS 46 HB2 CYS 46 13.509 2.049 12.927 343 2HB CYS 46 HB1 CYS 46 15.199 2.358 13.298 344 HG CYS 46 HG CYS 46 14.376 -0.290 11.311 345 H ASP 47 HN ASP 47 15.014 -1.473 12.870 346 HA ASP 47 HA ASP 47 17.196 -2.498 14.329 347 1HB ASP 47 HB2 ASP 47 17.571 -3.921 12.372 348 2HB ASP 47 HB1 ASP 47 15.855 -3.844 12.765 349 H ASP 48 HN ASP 48 16.952 0.074 12.057 350 HA ASP 48 HA ASP 48 19.579 0.228 11.110 351 1HB ASP 48 HB2 ASP 48 17.691 1.637 10.298 352 2HB ASP 48 HB1 ASP 48 17.758 2.544 11.806 353 H SER 49 HN SER 49 18.117 1.345 14.105 354 HA SER 49 HA SER 49 20.495 2.610 15.084 355 1HB SER 49 HB2 SER 49 18.033 1.714 16.607 356 2HB SER 49 HB1 SER 49 19.233 2.891 17.146 357 HG SER 49 HG SER 49 18.375 3.656 14.760 358 HA PRO 50 HA PRO 50 22.966 -0.759 16.274 359 1HB PRO 50 HB2 PRO 50 23.676 0.091 18.856 360 2HB PRO 50 HB1 PRO 50 24.527 0.458 17.354 361 1HG PRO 50 HG2 PRO 50 22.546 2.095 18.863 362 2HG PRO 50 HG1 PRO 50 23.974 2.614 17.948 363 1HD PRO 50 HD2 PRO 50 21.522 2.939 16.954 364 2HD PRO 50 HD1 PRO 50 22.871 2.454 15.903 365 H HIS 51 HN HIS 51 20.513 0.215 18.605 366 HA HIS 51 HA HIS 51 20.673 -2.063 20.266 367 1HB HIS 51 HB2 HIS 51 18.594 0.036 19.789 368 2HB HIS 51 HB1 HIS 51 18.176 -1.390 20.729 369 HD1 HIS 51 HD1 HIS 51 18.075 -0.543 23.058 370 HD2 HIS 51 HD2 HIS 51 21.495 0.745 21.066 371 HE1 HIS 51 HE1 HIS 51 19.439 0.688 24.776 372 HE2 HIS 51 HE2 HIS 51 21.612 1.222 23.606 373 H LYS 52 HN LYS 52 18.787 -1.365 17.360 374 HA LYS 52 HA LYS 52 17.312 -2.586 16.118 375 1HB LYS 52 HB2 LYS 52 19.069 -4.895 16.959 376 2HB LYS 52 HB1 LYS 52 17.991 -4.860 15.576 377 1HG LYS 52 HG2 LYS 52 19.371 -2.996 14.650 378 2HG LYS 52 HG1 LYS 52 20.515 -3.280 15.967 379 1HD LYS 52 HD2 LYS 52 20.701 -5.641 15.217 380 2HD LYS 52 HD1 LYS 52 19.668 -5.240 13.843 381 1HE LYS 52 HE2 LYS 52 22.266 -3.845 14.434 382 2HE LYS 52 HE1 LYS 52 22.141 -5.251 13.379 383 1HZ LYS 52 HZ1 LYS 52 20.786 -2.637 12.982 384 2HZ LYS 52 HZ2 LYS 52 20.602 -3.989 11.979 385 3HZ LYS 52 HZ3 LYS 52 22.111 -3.222 12.100 386 H HIS 53 HN HIS 53 16.394 -2.169 18.761 387 HA HIS 53 HA HIS 53 15.774 -4.632 20.026 388 1HB HIS 53 HB2 HIS 53 15.958 -2.250 21.067 389 2HB HIS 53 HB1 HIS 53 14.252 -2.128 20.635 390 HD1 HIS 53 HD1 HIS 53 12.965 -2.531 22.739 391 HD2 HIS 53 HD2 HIS 53 16.174 -5.136 22.344 392 HE1 HIS 53 HE1 HIS 53 12.795 -4.113 24.681 393 HE2 HIS 53 HE2 HIS 53 14.871 -5.533 24.538 394 H ALA 54 HN ALA 54 14.280 -2.923 17.473 395 HA ALA 54 HA ALA 54 11.614 -3.813 17.829 396 1HB ALA 54 HB1 ALA 54 11.292 -3.217 15.490 397 2HB ALA 54 HB2 ALA 54 13.037 -3.103 15.264 398 3HB ALA 54 HB3 ALA 54 12.209 -1.965 16.328 399 H THR 55 HN THR 55 14.337 -5.110 15.931 400 HA THR 55 HA THR 55 12.906 -7.356 14.947 401 HB THR 55 HB THR 55 15.276 -8.242 14.495 402 HG1 THR 55 HG1 THR 55 16.819 -7.166 15.457 403 1HG2 THR 55 HG21 THR 55 13.935 -7.107 12.789 404 2HG2 THR 55 HG22 THR 55 15.638 -6.669 12.654 405 3HG2 THR 55 HG23 THR 55 14.495 -5.544 13.386 406 H ARG 56 HN ARG 56 15.069 -6.808 17.662 407 HA ARG 56 HA ARG 56 15.213 -9.418 18.658 408 1HB ARG 56 HB2 ARG 56 15.269 -6.776 20.123 409 2HB ARG 56 HB1 ARG 56 15.720 -8.320 20.834 410 1HG ARG 56 HG2 ARG 56 17.566 -8.543 19.325 411 2HG ARG 56 HG1 ARG 56 17.062 -7.107 18.432 412 1HD ARG 56 HD2 ARG 56 18.937 -6.680 19.981 413 2HD ARG 56 HD1 ARG 56 17.510 -5.707 20.334 414 HE ARG 56 HE ARG 56 17.069 -7.607 22.045 415 1HH1 ARG 56 HH11 ARG 56 20.212 -6.340 21.148 416 2HH1 ARG 56 HH12 ARG 56 20.918 -6.647 22.710 417 1HH2 ARG 56 HH21 ARG 56 17.987 -7.981 24.098 418 2HH2 ARG 56 HH22 ARG 56 19.642 -7.536 24.399 419 H HIS 57 HN HIS 57 12.890 -6.821 19.284 420 HA HIS 57 HA HIS 57 11.357 -8.114 21.232 421 1HB HIS 57 HB2 HIS 57 11.120 -5.733 20.794 422 2HB HIS 57 HB1 HIS 57 10.533 -6.058 19.167 423 HD1 HIS 57 HD1 HIS 57 9.444 -6.107 22.769 424 HD2 HIS 57 HD2 HIS 57 7.879 -6.821 18.976 425 HE1 HIS 57 HE1 HIS 57 6.935 -6.293 23.048 426 H PHE 58 HN PHE 58 11.220 -8.245 17.713 427 HA PHE 58 HA PHE 58 8.821 -9.649 17.432 428 1HB PHE 58 HB2 PHE 58 9.775 -8.739 15.468 429 2HB PHE 58 HB1 PHE 58 11.312 -9.550 15.741 430 HD1 PHE 58 HD1 PHE 58 7.771 -10.748 15.609 431 HD2 PHE 58 HD2 PHE 58 11.720 -11.054 14.088 432 HE1 PHE 58 HE1 PHE 58 7.064 -12.607 14.163 433 HE2 PHE 58 HE2 PHE 58 11.025 -12.908 12.632 434 HZ PHE 58 HZ PHE 58 8.693 -13.691 12.672 435 H HIS 59 HN HIS 59 12.134 -10.871 17.849 436 HA HIS 59 HA HIS 59 11.323 -13.606 17.714 437 1HB HIS 59 HB2 HIS 59 13.869 -12.301 18.684 438 2HB HIS 59 HB1 HIS 59 13.634 -14.045 18.654 439 HD1 HIS 59 HD1 HIS 59 14.311 -15.190 16.552 440 HD2 HIS 59 HD2 HIS 59 13.606 -11.128 15.971 441 HE1 HIS 59 HE1 HIS 59 14.958 -14.718 14.166 442 HE2 HIS 59 HE2 HIS 59 14.386 -12.290 13.793 443 H ALA 60 HN ALA 60 11.625 -11.251 20.254 444 HA ALA 60 HA ALA 60 11.613 -13.110 22.418 445 1HB ALA 60 HB1 ALA 60 12.592 -10.870 22.599 446 2HB ALA 60 HB2 ALA 60 11.374 -11.165 23.839 447 3HB ALA 60 HB3 ALA 60 10.984 -10.164 22.440 448 H THR 61 HN THR 61 9.088 -11.060 20.947 449 HA THR 61 HA THR 61 7.140 -12.290 22.767 450 HB THR 61 HB THR 61 5.582 -10.502 21.907 451 HG1 THR 61 HG1 THR 61 8.017 -9.571 20.747 452 1HG2 THR 61 HG21 THR 61 8.111 -9.546 23.250 453 2HG2 THR 61 HG22 THR 61 6.748 -10.317 24.061 454 3HG2 THR 61 HG23 THR 61 6.538 -8.743 23.289 455 H GLY 62 HN GLY 62 8.105 -12.319 19.465 456 1HA GLY 62 HA2 GLY 62 7.300 -13.611 17.720 457 2HA GLY 62 HA1 GLY 62 6.034 -14.203 18.788 458 H HIS 63 HN HIS 63 6.877 -10.909 17.774 459 HA HIS 63 HA HIS 63 4.117 -10.627 16.772 460 1HB HIS 63 HB2 HIS 63 5.817 -8.598 18.244 461 2HB HIS 63 HB1 HIS 63 4.308 -8.199 17.431 462 HD2 HIS 63 HD2 HIS 63 3.077 -11.231 18.726 463 HE1 HIS 63 HE1 HIS 63 3.102 -8.761 22.164 464 HE2 HIS 63 HE2 HIS 63 2.043 -10.792 21.069 465 HA PRO 64 HA PRO 64 6.852 -10.154 13.256 466 1HB PRO 64 HB2 PRO 64 5.155 -10.987 11.367 467 2HB PRO 64 HB1 PRO 64 5.843 -12.102 12.555 468 1HG PRO 64 HG2 PRO 64 3.136 -10.829 12.496 469 2HG PRO 64 HG1 PRO 64 3.580 -12.497 12.901 470 1HD PRO 64 HD2 PRO 64 3.076 -10.529 14.760 471 2HD PRO 64 HD1 PRO 64 4.077 -11.961 15.066 472 H ILE 65 HN ILE 65 4.184 -8.164 13.937 473 HA ILE 65 HA ILE 65 4.790 -6.580 11.536 474 HB ILE 65 HB ILE 65 2.045 -6.973 12.729 475 1HG1 ILE 65 HG12 ILE 65 3.257 -7.741 10.064 476 2HG1 ILE 65 HG11 ILE 65 2.732 -8.841 11.334 477 1HG2 ILE 65 HG21 ILE 65 2.899 -5.212 10.430 478 2HG2 ILE 65 HG22 ILE 65 2.380 -4.651 12.019 479 3HG2 ILE 65 HG23 ILE 65 1.241 -5.487 10.963 480 1HD1 ILE 65 HD11 ILE 65 1.143 -8.769 9.500 481 2HD1 ILE 65 HD12 ILE 65 0.951 -7.029 9.719 482 3HD1 ILE 65 HD13 ILE 65 0.423 -8.142 10.982 483 H ILE 66 HN ILE 66 5.348 -4.594 11.846 484 HA ILE 66 HA ILE 66 4.556 -3.207 14.320 485 HB ILE 66 HB ILE 66 6.732 -1.960 14.171 486 1HG1 ILE 66 HG12 ILE 66 7.467 -4.209 12.283 487 2HG1 ILE 66 HG11 ILE 66 7.217 -2.533 11.811 488 1HG2 ILE 66 HG21 ILE 66 6.378 -3.726 15.814 489 2HG2 ILE 66 HG22 ILE 66 8.049 -3.711 15.251 490 3HG2 ILE 66 HG23 ILE 66 6.927 -4.931 14.649 491 1HD1 ILE 66 HD11 ILE 66 9.574 -3.061 11.980 492 2HD1 ILE 66 HD12 ILE 66 9.359 -3.546 13.662 493 3HD1 ILE 66 HD13 ILE 66 9.111 -1.864 13.190 494 H GLU 67 HN GLU 67 4.981 -0.743 13.970 495 HA GLU 67 HA GLU 67 4.239 0.013 11.232 496 1HB GLU 67 HB2 GLU 67 2.182 -0.129 12.511 497 2HB GLU 67 HB1 GLU 67 2.868 0.858 13.789 498 1HG GLU 67 HG2 GLU 67 2.841 2.794 12.425 499 2HG GLU 67 HG1 GLU 67 2.459 1.849 10.985 500 H GLY 68 HN GLY 68 5.008 1.985 10.549 501 1HA GLY 68 HA2 GLY 68 7.300 3.041 11.840 502 2HA GLY 68 HA1 GLY 68 6.451 3.776 10.485 503 H TYR 69 HN TYR 69 7.184 4.023 13.754 504 HA TYR 69 HA TYR 69 4.787 5.539 14.421 505 1HB TYR 69 HB2 TYR 69 5.620 3.809 15.985 506 2HB TYR 69 HB1 TYR 69 7.113 4.723 16.175 507 HD1 TYR 69 HD1 TYR 69 7.287 6.179 17.958 508 HD2 TYR 69 HD2 TYR 69 3.419 5.172 16.506 509 HE1 TYR 69 HE1 TYR 69 6.270 7.467 19.786 510 HE2 TYR 69 HE2 TYR 69 2.393 6.460 18.330 511 HH TYR 69 HH TYR 69 3.127 7.184 20.699 512 H ASP 70 HN ASP 70 8.279 5.971 14.091 513 HA ASP 70 HA ASP 70 8.235 8.659 15.035 514 1HB ASP 70 HB2 ASP 70 10.541 8.775 14.569 515 2HB ASP 70 HB1 ASP 70 10.251 7.113 15.050 516 HA PRO 71 HA PRO 71 8.082 9.996 10.522 517 1HB PRO 71 HB2 PRO 71 7.457 8.304 8.542 518 2HB PRO 71 HB1 PRO 71 9.104 8.427 9.169 519 1HG PRO 71 HG2 PRO 71 7.060 6.321 9.610 520 2HG PRO 71 HG1 PRO 71 8.824 6.183 9.545 521 1HD PRO 71 HD2 PRO 71 7.224 6.299 11.862 522 2HD PRO 71 HD1 PRO 71 8.990 6.431 11.786 523 HA PRO 72 HA PRO 72 3.633 10.464 10.910 524 1HB PRO 72 HB2 PRO 72 3.457 12.767 9.488 525 2HB PRO 72 HB1 PRO 72 4.060 12.712 11.148 526 1HG PRO 72 HG2 PRO 72 5.590 12.828 8.578 527 2HG PRO 72 HG1 PRO 72 5.871 13.714 10.088 528 1HD PRO 72 HD2 PRO 72 7.297 11.515 9.392 529 2HD PRO 72 HD1 PRO 72 6.944 11.933 11.081 530 H GLU 73 HN GLU 73 4.547 8.606 8.977 531 HA GLU 73 HA GLU 73 3.123 9.335 6.515 532 1HB GLU 73 HB2 GLU 73 4.912 6.961 7.073 533 2HB GLU 73 HB1 GLU 73 4.234 7.403 5.513 534 1HG GLU 73 HG2 GLU 73 5.550 9.443 5.497 535 2HG GLU 73 HG1 GLU 73 6.198 9.050 7.090 536 H GLY 74 HN GLY 74 3.498 6.494 8.638 537 1HA GLY 74 HA2 GLY 74 1.698 5.273 9.579 538 2HA GLY 74 HA1 GLY 74 0.626 5.986 8.382 539 H TRP 75 HN TRP 75 3.279 3.686 8.787 540 HA TRP 75 HA TRP 75 2.009 1.982 6.803 541 1HB TRP 75 HB2 TRP 75 4.296 1.476 5.801 542 2HB TRP 75 HB1 TRP 75 3.574 3.019 5.372 543 HD1 TRP 75 HD1 TRP 75 4.920 5.159 5.903 544 HE1 TRP 75 HE1 TRP 75 7.228 5.639 6.937 545 HE3 TRP 75 HE3 TRP 75 5.967 0.492 7.718 546 HZ2 TRP 75 HZ2 TRP 75 9.223 4.215 8.347 547 HZ3 TRP 75 HZ3 TRP 75 8.097 0.136 8.896 548 HH2 TRP 75 HH2 TRP 75 9.691 1.960 9.203 549 H GLY 76 HN GLY 76 2.699 -0.227 6.900 550 1HA GLY 76 HA2 GLY 76 3.762 -0.904 9.570 551 2HA GLY 76 HA1 GLY 76 2.527 -1.840 8.740 552 H TRP 77 HN TRP 77 5.173 -2.581 9.791 553 HA TRP 77 HA TRP 77 6.357 -3.619 7.298 554 1HB TRP 77 HB2 TRP 77 7.873 -2.026 8.369 555 2HB TRP 77 HB1 TRP 77 7.741 -2.893 9.894 556 HD1 TRP 77 HD1 TRP 77 9.284 -4.991 10.239 557 HE1 TRP 77 HE1 TRP 77 11.207 -6.030 8.870 558 HE3 TRP 77 HE3 TRP 77 8.638 -2.424 5.866 559 HZ2 TRP 77 HZ2 TRP 77 12.297 -5.784 6.280 560 HZ3 TRP 77 HZ3 TRP 77 10.164 -2.882 3.993 561 HH2 TRP 77 HH2 TRP 77 11.956 -4.528 4.197 562 H CYS 78 HN CYS 78 6.434 -5.769 7.126 563 HA CYS 78 HA CYS 78 5.837 -7.358 9.536 564 1HB CYS 78 HB2 CYS 78 4.323 -7.409 7.410 565 2HB CYS 78 HB1 CYS 78 5.600 -8.402 6.727 566 H TYR 79 HN TYR 79 7.539 -8.373 10.374 567 HA TYR 79 HA TYR 79 10.107 -8.111 9.365 568 1HB TYR 79 HB2 TYR 79 9.019 -10.050 11.397 569 2HB TYR 79 HB1 TYR 79 10.736 -9.860 11.062 570 HD1 TYR 79 HD1 TYR 79 11.784 -7.583 11.438 571 HD2 TYR 79 HD2 TYR 79 7.917 -8.608 12.877 572 HE1 TYR 79 HE1 TYR 79 11.908 -5.744 13.064 573 HE2 TYR 79 HE2 TYR 79 8.026 -6.770 14.502 574 HH TYR 79 HH TYR 79 9.900 -5.481 15.677 575 H VAL 80 HN VAL 80 8.364 -11.231 9.595 576 HA VAL 80 HA VAL 80 10.368 -12.630 8.190 577 HB VAL 80 HB VAL 80 8.644 -14.465 7.998 578 1HG1 VAL 80 HG11 VAL 80 9.086 -13.286 10.740 579 2HG1 VAL 80 HG12 VAL 80 10.229 -14.303 9.861 580 3HG1 VAL 80 HG13 VAL 80 8.678 -14.964 10.380 581 1HG2 VAL 80 HG21 VAL 80 6.578 -14.211 9.283 582 2HG2 VAL 80 HG22 VAL 80 6.642 -13.065 7.944 583 3HG2 VAL 80 HG23 VAL 80 6.972 -12.520 9.589 584 H ASP 81 HN ASP 81 7.721 -10.761 7.079 585 HA ASP 81 HA ASP 81 7.634 -11.976 4.445 586 1HB ASP 81 HB2 ASP 81 6.315 -9.437 5.436 587 2HB ASP 81 HB1 ASP 81 5.963 -10.267 3.928 588 H GLU 82 HN GLU 82 8.891 -9.143 6.045 589 HA GLU 82 HA GLU 82 10.370 -7.536 5.481 590 1HB GLU 82 HB2 GLU 82 10.987 -9.307 3.111 591 2HB GLU 82 HB1 GLU 82 11.937 -7.915 3.615 592 1HG GLU 82 HG2 GLU 82 12.351 -9.040 5.779 593 2HG GLU 82 HG1 GLU 82 11.501 -10.457 5.164 594 H VAL 83 HN VAL 83 7.582 -7.689 4.432 595 HA VAL 83 HA VAL 83 7.864 -5.838 2.171 596 HB VAL 83 HB VAL 83 5.525 -6.304 1.614 597 1HG1 VAL 83 HG11 VAL 83 7.202 -8.792 1.894 598 2HG1 VAL 83 HG12 VAL 83 7.259 -7.635 0.564 599 3HG1 VAL 83 HG13 VAL 83 5.811 -8.607 0.826 600 1HG2 VAL 83 HG21 VAL 83 5.623 -8.283 3.890 601 2HG2 VAL 83 HG22 VAL 83 4.318 -8.149 2.711 602 3HG2 VAL 83 HG23 VAL 83 4.647 -6.816 3.818 603 H MET 84 HN MET 84 7.050 -3.833 2.275 604 HA MET 84 HA MET 84 5.879 -2.978 4.833 605 1HB MET 84 HB2 MET 84 7.993 -1.878 4.143 606 2HB MET 84 HB1 MET 84 7.203 -1.320 2.675 607 1HG MET 84 HG2 MET 84 5.625 -0.026 4.037 608 2HG MET 84 HG1 MET 84 6.466 -0.557 5.492 609 1HE MET 84 HE1 MET 84 9.002 0.157 6.081 610 2HE MET 84 HE2 MET 84 10.010 1.089 4.972 611 3HE MET 84 HE3 MET 84 9.483 -0.536 4.532 612 H PHE 85 HN PHE 85 3.877 -2.157 4.898 613 HA PHE 85 HA PHE 85 2.529 -1.521 2.368 614 1HB PHE 85 HB2 PHE 85 0.447 -2.596 3.357 615 2HB PHE 85 HB1 PHE 85 1.714 -3.702 2.840 616 HD1 PHE 85 HD1 PHE 85 -0.041 -2.273 5.720 617 HD2 PHE 85 HD2 PHE 85 2.943 -5.020 4.431 618 HE1 PHE 85 HE1 PHE 85 -0.040 -3.313 7.949 619 HE2 PHE 85 HE2 PHE 85 2.948 -6.067 6.658 620 HZ PHE 85 HZ PHE 85 1.457 -5.212 8.420 621 H ASP 86 HN ASP 86 0.723 -0.053 2.596 622 HA ASP 86 HA ASP 86 1.300 1.953 4.575 623 1HB ASP 86 HB2 ASP 86 0.675 2.522 2.231 624 2HB ASP 86 HB1 ASP 86 -0.937 1.885 2.536 625 H LEU 87 HN LEU 87 0.187 2.462 6.365 626 HA LEU 87 HA LEU 87 -2.327 1.029 6.912 627 1HB LEU 87 HB2 LEU 87 0.100 1.318 8.642 628 2HB LEU 87 HB1 LEU 87 -1.483 1.199 9.382 629 HG LEU 87 HG LEU 87 -0.204 -0.875 7.599 630 1HD1 LEU 87 HD11 LEU 87 -0.812 -0.873 10.552 631 2HD1 LEU 87 HD12 LEU 87 0.791 -0.716 9.831 632 3HD1 LEU 87 HD13 LEU 87 -0.123 -2.212 9.633 633 1HD2 LEU 87 HD21 LEU 87 -2.625 -0.823 7.313 634 2HD2 LEU 87 HD22 LEU 87 -2.844 -0.891 9.064 635 3HD2 LEU 87 HD23 LEU 87 -2.132 -2.261 8.207 636 H SER 88 HN SER 88 -1.502 3.844 6.025 637 HA SER 88 HA SER 88 -1.659 5.599 8.215 638 1HB SER 88 HB2 SER 88 -0.809 6.051 5.832 639 2HB SER 88 HB1 SER 88 -2.497 6.340 5.417 640 HG SER 88 HG SER 88 -0.757 7.833 7.010 641 H ASP 89 HN ASP 89 -4.144 4.011 6.381 642 HA ASP 89 HA ASP 89 -6.313 5.717 7.128 643 1HB ASP 89 HB2 ASP 89 -6.498 4.294 5.179 644 2HB ASP 89 HB1 ASP 89 -6.210 2.855 6.147 645 H ARG 90 HN ARG 90 -4.538 3.289 8.738 646 HA ARG 90 HA ARG 90 -6.492 3.143 10.915 647 1HB ARG 90 HB2 ARG 90 -5.850 0.607 10.968 648 2HB ARG 90 HB1 ARG 90 -7.087 1.165 9.850 649 1HG ARG 90 HG2 ARG 90 -5.309 1.313 8.103 650 2HG ARG 90 HG1 ARG 90 -4.218 0.522 9.240 651 1HD ARG 90 HD2 ARG 90 -5.215 -1.068 7.659 652 2HD ARG 90 HD1 ARG 90 -5.667 -1.419 9.326 653 HE ARG 90 HE ARG 90 -7.862 -0.728 8.868 654 1HH1 ARG 90 HH11 ARG 90 -5.796 -0.403 6.043 655 2HH1 ARG 90 HH12 ARG 90 -7.129 -0.341 4.928 656 1HH2 ARG 90 HH21 ARG 90 -9.598 -0.671 7.394 657 2HH2 ARG 90 HH22 ARG 90 -9.288 -0.496 5.691 658 H MET 91 HN MET 91 -4.031 4.566 10.714 659 HA MET 91 HA MET 91 -1.946 2.928 11.860 660 1HB MET 91 HB2 MET 91 -0.518 4.861 11.623 661 2HB MET 91 HB1 MET 91 -1.425 4.618 10.139 662 1HG MET 91 HG2 MET 91 -2.900 6.425 10.668 663 2HG MET 91 HG1 MET 91 -2.188 6.596 12.272 664 1HE MET 91 HE1 MET 91 0.904 6.179 11.615 665 2HE MET 91 HE2 MET 91 0.305 7.433 12.701 666 3HE MET 91 HE3 MET 91 1.427 7.851 11.405 667 H THR 92 HN THR 92 -0.675 3.737 13.695 668 HA THR 92 HA THR 92 -2.423 4.519 15.888 669 HB THR 92 HB THR 92 0.524 3.921 16.095 670 HG1 THR 92 HG1 THR 92 -0.355 2.151 15.024 671 1HG2 THR 92 HG21 THR 92 -0.114 3.157 18.340 672 2HG2 THR 92 HG22 THR 92 -1.794 3.566 17.999 673 3HG2 THR 92 HG23 THR 92 -0.575 4.838 18.076 674 HA PRO 93 HA PRO 93 -1.041 8.771 15.405 675 1HB PRO 93 HB2 PRO 93 -2.478 9.186 17.935 676 2HB PRO 93 HB1 PRO 93 -2.765 9.911 16.351 677 1HG PRO 93 HG2 PRO 93 -4.444 8.097 17.409 678 2HG PRO 93 HG1 PRO 93 -4.139 8.192 15.665 679 1HD PRO 93 HD2 PRO 93 -3.024 6.281 17.684 680 2HD PRO 93 HD1 PRO 93 -3.595 5.966 16.030 681 H HIS 94 HN HIS 94 0.181 10.314 16.700 682 HA HIS 94 HA HIS 94 2.194 8.949 18.240 683 1HB HIS 94 HB2 HIS 94 1.837 11.875 17.555 684 2HB HIS 94 HB1 HIS 94 3.223 11.226 18.423 685 HD1 HIS 94 HD1 HIS 94 3.860 12.639 15.880 686 HD2 HIS 94 HD2 HIS 94 2.908 8.592 15.986 687 HE1 HIS 94 HE1 HIS 94 4.844 11.655 13.786 688 HE2 HIS 94 HE2 HIS 94 4.472 9.174 14.015 689 H ASN 95 HN ASN 95 2.754 9.363 20.398 690 HA ASN 95 HA ASN 95 0.418 9.943 22.052 691 1HB ASN 95 HB2 ASN 95 1.848 7.853 22.300 692 2HB ASN 95 HB1 ASN 95 3.106 8.896 22.950 693 1HD2 ASN 95 HD21 ASN 95 3.065 7.830 24.916 694 2HD2 ASN 95 HD22 ASN 95 1.786 8.050 26.061 695 H GLY 96 HN GLY 96 2.547 11.846 20.711 696 1HA GLY 96 HA2 GLY 96 2.288 14.147 21.898 697 2HA GLY 96 HA1 GLY 96 3.306 13.364 23.099 698 HA PRO 97 HA PRO 97 5.991 15.455 19.843 699 1HB PRO 97 HB2 PRO 97 7.246 16.646 22.227 700 2HB PRO 97 HB1 PRO 97 6.686 17.427 20.746 701 1HG PRO 97 HG2 PRO 97 5.387 17.732 23.073 702 2HG PRO 97 HG1 PRO 97 4.525 17.658 21.524 703 1HD PRO 97 HD2 PRO 97 4.877 15.528 23.603 704 2HD PRO 97 HD1 PRO 97 3.435 15.950 22.654 705 H ILE 98 HN ILE 98 7.466 14.038 19.199 706 HA ILE 98 HA ILE 98 8.846 12.380 21.177 707 HB ILE 98 HB ILE 98 8.765 12.133 18.165 708 1HG1 ILE 98 HG12 ILE 98 7.236 10.627 20.299 709 2HG1 ILE 98 HG11 ILE 98 6.554 11.811 19.188 710 1HG2 ILE 98 HG21 ILE 98 9.629 9.861 18.557 711 2HG2 ILE 98 HG22 ILE 98 9.778 10.231 20.275 712 3HG2 ILE 98 HG23 ILE 98 10.753 11.109 19.096 713 1HD1 ILE 98 HD11 ILE 98 7.738 9.143 18.467 714 2HD1 ILE 98 HD12 ILE 98 7.151 10.338 17.309 715 3HD1 ILE 98 HD13 ILE 98 6.031 9.587 18.446 716 HA PRO 99 HA PRO 99 12.573 14.798 20.669 717 1HB PRO 99 HB2 PRO 99 14.250 13.039 21.922 718 2HB PRO 99 HB1 PRO 99 13.199 14.173 22.777 719 1HG PRO 99 HG2 PRO 99 12.803 11.262 22.230 720 2HG PRO 99 HG1 PRO 99 12.436 12.189 23.696 721 1HD PRO 99 HD2 PRO 99 10.533 11.475 21.904 722 2HD PRO 99 HD1 PRO 99 10.440 12.972 22.853 723 H ARG 100 HN ARG 100 13.151 14.810 18.576 724 HA ARG 100 HA ARG 100 14.166 12.398 17.307 725 1HB ARG 100 HB2 ARG 100 12.787 13.577 15.841 726 2HB ARG 100 HB1 ARG 100 13.404 15.136 16.356 727 1HG ARG 100 HG2 ARG 100 15.241 13.270 14.934 728 2HG ARG 100 HG1 ARG 100 14.014 14.147 14.011 729 1HD ARG 100 HD2 ARG 100 14.840 16.254 14.851 730 2HD ARG 100 HD1 ARG 100 15.991 15.417 15.890 731 HE ARG 100 HE ARG 100 16.842 14.547 13.568 732 1HH1 ARG 100 HH11 ARG 100 15.580 17.738 14.249 733 2HH1 ARG 100 HH12 ARG 100 16.691 18.556 13.191 734 1HH2 ARG 100 HH21 ARG 100 18.328 15.602 12.195 735 2HH2 ARG 100 HH22 ARG 100 18.263 17.334 12.016 736 H TYR 101 HN TYR 101 16.262 11.993 16.873 737 HA TYR 101 HA TYR 101 18.202 13.921 17.948 738 1HB TYR 101 HB2 TYR 101 18.458 10.933 17.549 739 2HB TYR 101 HB1 TYR 101 19.741 11.980 18.144 740 HD1 TYR 101 HD1 TYR 101 19.504 13.074 20.369 741 HD2 TYR 101 HD2 TYR 101 16.714 10.176 18.985 742 HE1 TYR 101 HE1 TYR 101 18.695 12.762 22.670 743 HE2 TYR 101 HE2 TYR 101 15.899 9.859 21.282 744 HH TYR 101 HH TYR 101 16.754 10.166 23.594 745 H VAL 102 HN VAL 102 18.144 11.364 15.465 746 HA VAL 102 HA VAL 102 20.301 12.430 14.008 747 HB VAL 102 HB VAL 102 19.577 10.878 12.183 748 1HG1 VAL 102 HG11 VAL 102 21.103 10.156 13.935 749 2HG1 VAL 102 HG12 VAL 102 20.040 8.835 13.449 750 3HG1 VAL 102 HG13 VAL 102 19.738 9.702 14.955 751 1HG2 VAL 102 HG21 VAL 102 17.766 9.283 12.670 752 2HG2 VAL 102 HG22 VAL 102 17.171 10.937 12.526 753 3HG2 VAL 102 HG23 VAL 102 17.361 10.203 14.119 Start of MODEL 4 1 1H MET 1 HT1 MET 1 4.998 2.271 -0.662 2 2H MET 1 HT2 MET 1 4.245 1.732 -2.087 3 3H MET 1 HT3 MET 1 5.789 1.165 -1.674 4 HA MET 1 HA MET 1 4.957 0.016 0.215 5 1HB MET 1 HB2 MET 1 2.558 -0.038 0.715 6 2HB MET 1 HB1 MET 1 3.188 1.598 0.817 7 1HG MET 1 HG2 MET 1 1.178 1.898 -0.258 8 2HG MET 1 HG1 MET 1 2.319 1.838 -1.601 9 1HE MET 1 HE1 MET 1 -0.891 0.120 -3.066 10 2HE MET 1 HE2 MET 1 0.272 1.434 -3.248 11 3HE MET 1 HE3 MET 1 -0.862 1.441 -1.897 12 H THR 2 HN THR 2 3.773 -2.066 0.096 13 HA THR 2 HA THR 2 3.131 -2.856 -2.661 14 HB THR 2 HB THR 2 5.340 -3.779 -1.998 15 HG1 THR 2 HG1 THR 2 4.311 -5.070 -3.445 16 1HG2 THR 2 HG21 THR 2 5.488 -5.502 -0.285 17 2HG2 THR 2 HG22 THR 2 3.783 -5.280 0.108 18 3HG2 THR 2 HG23 THR 2 4.935 -3.980 0.414 19 H MET 3 HN MET 3 2.152 -5.352 -2.224 20 HA MET 3 HA MET 3 -0.450 -4.728 -1.279 21 1HB MET 3 HB2 MET 3 -0.071 -6.304 -3.116 22 2HB MET 3 HB1 MET 3 0.752 -7.404 -2.016 23 1HG MET 3 HG2 MET 3 -1.322 -7.673 -0.746 24 2HG MET 3 HG1 MET 3 -2.143 -6.585 -1.863 25 1HE MET 3 HE1 MET 3 -4.030 -8.408 -2.285 26 2HE MET 3 HE2 MET 3 -3.222 -9.490 -1.153 27 3HE MET 3 HE3 MET 3 -3.689 -10.074 -2.750 28 H GLY 4 HN GLY 4 -1.393 -5.033 0.622 29 1HA GLY 4 HA2 GLY 4 0.058 -5.821 2.924 30 2HA GLY 4 HA1 GLY 4 -1.687 -5.611 2.825 31 H CYS 5 HN CYS 5 0.177 -7.731 4.007 32 HA CYS 5 HA CYS 5 -0.674 -10.074 2.480 33 1HB CYS 5 HB2 CYS 5 0.940 -11.318 3.830 34 2HB CYS 5 HB1 CYS 5 1.703 -9.912 3.098 35 H ARG 6 HN ARG 6 -1.376 -12.009 3.807 36 HA ARG 6 HA ARG 6 -3.777 -11.441 5.074 37 1HB ARG 6 HB2 ARG 6 -3.747 -13.818 5.809 38 2HB ARG 6 HB1 ARG 6 -3.393 -13.597 4.102 39 1HG ARG 6 HG2 ARG 6 -0.981 -13.820 4.623 40 2HG ARG 6 HG1 ARG 6 -1.415 -14.172 6.297 41 1HD ARG 6 HD2 ARG 6 -2.626 -16.141 5.613 42 2HD ARG 6 HD1 ARG 6 -2.363 -15.756 3.913 43 HE ARG 6 HE ARG 6 0.072 -16.051 5.416 44 1HH1 ARG 6 HH11 ARG 6 -2.406 -17.753 3.610 45 2HH1 ARG 6 HH12 ARG 6 -1.366 -19.092 3.214 46 1HH2 ARG 6 HH21 ARG 6 1.426 -17.798 4.911 47 2HH2 ARG 6 HH22 ARG 6 0.813 -19.128 3.969 48 H HIS 7 HN HIS 7 -0.594 -11.603 6.452 49 HA HIS 7 HA HIS 7 -1.230 -11.931 9.155 50 1HB HIS 7 HB2 HIS 7 1.028 -10.392 7.864 51 2HB HIS 7 HB1 HIS 7 0.915 -10.695 9.593 52 HD2 HIS 7 HD2 HIS 7 0.420 -13.757 9.841 53 HE1 HIS 7 HE1 HIS 7 3.561 -14.230 7.047 54 HE2 HIS 7 HE2 HIS 7 1.983 -15.437 8.633 55 H VAL 8 HN VAL 8 -1.648 -9.205 7.056 56 HA VAL 8 HA VAL 8 -1.727 -7.150 8.994 57 HB VAL 8 HB VAL 8 -1.647 -7.017 6.364 58 1HG1 VAL 8 HG11 VAL 8 -3.755 -6.391 5.352 59 2HG1 VAL 8 HG12 VAL 8 -4.592 -6.695 6.873 60 3HG1 VAL 8 HG13 VAL 8 -3.843 -8.032 5.995 61 1HG2 VAL 8 HG21 VAL 8 -2.400 -4.689 6.474 62 2HG2 VAL 8 HG22 VAL 8 -1.364 -5.118 7.835 63 3HG2 VAL 8 HG23 VAL 8 -3.111 -5.003 8.056 64 H ALA 9 HN ALA 9 -4.044 -9.545 7.990 65 HA ALA 9 HA ALA 9 -6.312 -8.262 9.199 66 1HB ALA 9 HB1 ALA 9 -6.644 -9.792 7.349 67 2HB ALA 9 HB2 ALA 9 -7.451 -10.411 8.791 68 3HB ALA 9 HB3 ALA 9 -5.915 -11.106 8.272 69 H GLY 10 HN GLY 10 -3.617 -9.539 10.533 70 1HA GLY 10 HA2 GLY 10 -5.049 -10.661 12.855 71 2HA GLY 10 HA1 GLY 10 -3.392 -11.048 12.419 72 H ILE 11 HN ILE 11 -3.714 -7.816 11.902 73 HA ILE 11 HA ILE 11 -2.496 -7.214 14.499 74 HB ILE 11 HB ILE 11 -1.783 -5.085 13.488 75 1HG1 ILE 11 HG12 ILE 11 -3.155 -6.185 11.027 76 2HG1 ILE 11 HG11 ILE 11 -3.587 -4.729 11.913 77 1HG2 ILE 11 HG21 ILE 11 -0.138 -6.024 11.935 78 2HG2 ILE 11 HG22 ILE 11 -1.068 -7.520 11.862 79 3HG2 ILE 11 HG23 ILE 11 -0.319 -7.022 13.378 80 1HD1 ILE 11 HD11 ILE 11 -2.398 -4.347 9.763 81 2HD1 ILE 11 HD12 ILE 11 -0.970 -5.095 10.484 82 3HD1 ILE 11 HD13 ILE 11 -1.627 -3.607 11.170 83 H ARG 12 HN ARG 12 -3.157 -5.361 15.716 84 HA ARG 12 HA ARG 12 -5.899 -4.470 15.128 85 1HB ARG 12 HB2 ARG 12 -6.427 -4.608 17.540 86 2HB ARG 12 HB1 ARG 12 -6.078 -6.179 16.833 87 1HG ARG 12 HG2 ARG 12 -3.817 -6.095 17.775 88 2HG ARG 12 HG1 ARG 12 -4.189 -4.530 18.503 89 1HD ARG 12 HD2 ARG 12 -4.404 -6.442 20.078 90 2HD ARG 12 HD1 ARG 12 -5.891 -5.514 19.883 91 HE ARG 12 HE ARG 12 -6.346 -7.410 18.128 92 1HH1 ARG 12 HH11 ARG 12 -4.915 -7.748 21.309 93 2HH1 ARG 12 HH12 ARG 12 -5.525 -9.359 21.544 94 1HH2 ARG 12 HH21 ARG 12 -7.144 -9.507 18.430 95 2HH2 ARG 12 HH22 ARG 12 -6.790 -10.367 19.903 96 H THR 13 HN THR 13 -6.517 -2.524 16.390 97 HA THR 13 HA THR 13 -4.523 -0.498 16.301 98 HB THR 13 HB THR 13 -7.217 -0.417 17.682 99 HG1 THR 13 HG1 THR 13 -8.036 -0.347 15.736 100 1HG2 THR 13 HG21 THR 13 -5.473 1.805 16.601 101 2HG2 THR 13 HG22 THR 13 -5.712 1.423 18.306 102 3HG2 THR 13 HG23 THR 13 -7.065 2.001 17.335 103 H VAL 14 HN VAL 14 -2.965 -0.201 17.743 104 HA VAL 14 HA VAL 14 -3.378 -1.237 20.463 105 HB VAL 14 HB VAL 14 -0.871 -1.402 20.564 106 1HG1 VAL 14 HG11 VAL 14 -2.237 -3.061 18.447 107 2HG1 VAL 14 HG12 VAL 14 -2.313 -3.348 20.185 108 3HG1 VAL 14 HG13 VAL 14 -0.776 -3.500 19.332 109 1HG2 VAL 14 HG21 VAL 14 0.340 -1.485 18.419 110 2HG2 VAL 14 HG22 VAL 14 -0.312 0.119 18.751 111 3HG2 VAL 14 HG23 VAL 14 -1.116 -0.937 17.589 112 H THR 15 HN THR 15 -2.008 -0.157 22.126 113 HA THR 15 HA THR 15 -2.181 2.750 21.733 114 HB THR 15 HB THR 15 -1.990 1.214 24.333 115 HG1 THR 15 HG1 THR 15 -4.040 1.458 22.643 116 1HG2 THR 15 HG21 THR 15 -1.243 3.547 24.478 117 2HG2 THR 15 HG22 THR 15 -2.764 3.310 25.338 118 3HG2 THR 15 HG23 THR 15 -2.761 4.079 23.751 119 HA PRO 16 HA PRO 16 2.300 2.733 21.751 120 1HB PRO 16 HB2 PRO 16 2.072 5.643 21.765 121 2HB PRO 16 HB1 PRO 16 2.713 4.584 20.507 122 1HG PRO 16 HG2 PRO 16 0.386 5.952 20.239 123 2HG PRO 16 HG1 PRO 16 0.685 4.390 19.455 124 1HD PRO 16 HD2 PRO 16 -0.889 5.004 21.924 125 2HD PRO 16 HD1 PRO 16 -1.239 3.850 20.620 126 H SER 17 HN SER 17 2.834 2.091 23.787 127 HA SER 17 HA SER 17 2.167 3.557 26.132 128 1HB SER 17 HB2 SER 17 2.498 1.112 26.121 129 2HB SER 17 HB1 SER 17 4.202 1.348 25.740 130 HG SER 17 HG SER 17 3.511 2.797 27.907 131 H ALA 18 HN ALA 18 4.606 3.931 23.810 132 HA ALA 18 HA ALA 18 5.995 5.836 25.541 133 1HB ALA 18 HB1 ALA 18 7.416 3.812 23.811 134 2HB ALA 18 HB2 ALA 18 7.316 3.764 25.571 135 3HB ALA 18 HB3 ALA 18 8.177 5.080 24.772 136 H LEU 19 HN LEU 19 7.372 7.326 24.275 137 HA LEU 19 HA LEU 19 6.135 7.933 21.685 138 1HB LEU 19 HB2 LEU 19 7.955 9.681 23.346 139 2HB LEU 19 HB1 LEU 19 7.004 10.170 21.956 140 HG LEU 19 HG LEU 19 5.933 9.352 24.656 141 1HD1 LEU 19 HD11 LEU 19 5.168 11.674 24.765 142 2HD1 LEU 19 HD12 LEU 19 5.965 12.004 23.227 143 3HD1 LEU 19 HD13 LEU 19 6.924 11.567 24.641 144 1HD2 LEU 19 HD21 LEU 19 3.736 9.937 23.762 145 2HD2 LEU 19 HD22 LEU 19 4.454 8.594 22.872 146 3HD2 LEU 19 HD23 LEU 19 4.453 10.214 22.174 147 H GLY 20 HN GLY 20 9.343 8.148 23.199 148 1HA GLY 20 HA2 GLY 20 10.591 7.514 20.640 149 2HA GLY 20 HA1 GLY 20 11.423 8.051 22.093 150 H CYS 21 HN CYS 21 12.858 6.193 21.453 151 HA CYS 21 HA CYS 21 11.881 3.544 21.876 152 1HB CYS 21 HB2 CYS 21 13.894 4.040 20.498 153 2HB CYS 21 HB1 CYS 21 14.739 4.539 21.959 154 HG CYS 21 HG CYS 21 15.833 2.183 21.926 155 H GLU 22 HN GLU 22 11.052 3.083 23.778 156 HA GLU 22 HA GLU 22 11.448 4.417 26.159 157 1HB GLU 22 HB2 GLU 22 10.244 2.615 27.229 158 2HB GLU 22 HB1 GLU 22 9.524 2.954 25.666 159 1HG GLU 22 HG2 GLU 22 11.377 0.661 26.288 160 2HG GLU 22 HG1 GLU 22 9.627 0.561 26.134 161 H GLU 23 HN GLU 23 13.111 1.540 24.961 162 HA GLU 23 HA GLU 23 14.465 1.057 27.427 163 1HB GLU 23 HB2 GLU 23 13.940 -0.645 25.623 164 2HB GLU 23 HB1 GLU 23 15.278 0.039 24.711 165 1HG GLU 23 HG2 GLU 23 16.852 -0.630 26.348 166 2HG GLU 23 HG1 GLU 23 15.578 -1.048 27.495 167 H CYS 24 HN CYS 24 15.293 2.765 24.444 168 HA CYS 24 HA CYS 24 17.985 3.276 25.193 169 1HB CYS 24 HB2 CYS 24 16.151 4.694 23.257 170 2HB CYS 24 HB1 CYS 24 17.844 5.124 23.482 171 HG CYS 24 HG CYS 24 18.707 3.496 21.712 172 H LEU 25 HN LEU 25 14.936 4.771 25.926 173 HA LEU 25 HA LEU 25 15.932 7.228 26.906 174 1HB LEU 25 HB2 LEU 25 13.384 5.733 27.493 175 2HB LEU 25 HB1 LEU 25 13.725 7.343 28.099 176 HG LEU 25 HG LEU 25 13.565 6.606 25.176 177 1HD1 LEU 25 HD11 LEU 25 11.589 8.064 26.926 178 2HD1 LEU 25 HD12 LEU 25 11.389 6.436 26.278 179 3HD1 LEU 25 HD13 LEU 25 11.449 7.819 25.185 180 1HD2 LEU 25 HD21 LEU 25 13.566 9.033 24.826 181 2HD2 LEU 25 HD22 LEU 25 15.053 8.484 25.601 182 3HD2 LEU 25 HD23 LEU 25 13.802 9.277 26.557 183 H LYS 26 HN LYS 26 15.799 4.037 28.312 184 HA LYS 26 HA LYS 26 15.898 4.977 31.033 185 1HB LYS 26 HB2 LYS 26 15.987 2.715 31.690 186 2HB LYS 26 HB1 LYS 26 14.976 2.723 30.253 187 1HG LYS 26 HG2 LYS 26 17.129 2.145 28.981 188 2HG LYS 26 HG1 LYS 26 17.787 1.742 30.567 189 1HD LYS 26 HD2 LYS 26 15.274 0.565 29.385 190 2HD LYS 26 HD1 LYS 26 16.856 -0.214 29.371 191 1HE LYS 26 HE2 LYS 26 16.873 -0.257 31.802 192 2HE LYS 26 HE1 LYS 26 15.324 0.585 31.843 193 1HZ LYS 26 HZ1 LYS 26 15.046 -1.794 32.163 194 2HZ LYS 26 HZ2 LYS 26 15.794 -2.108 30.673 195 3HZ LYS 26 HZ3 LYS 26 14.306 -1.295 30.719 196 H ILE 27 HN ILE 27 18.146 4.605 28.526 197 HA ILE 27 HA ILE 27 20.368 4.824 30.447 198 HB ILE 27 HB ILE 27 21.857 4.009 28.634 199 1HG1 ILE 27 HG12 ILE 27 19.247 3.455 27.204 200 2HG1 ILE 27 HG11 ILE 27 20.495 4.587 26.699 201 1HG2 ILE 27 HG21 ILE 27 21.216 1.657 28.820 202 2HG2 ILE 27 HG22 ILE 27 19.622 2.139 29.399 203 3HG2 ILE 27 HG23 ILE 27 21.056 2.498 30.361 204 1HD1 ILE 27 HD11 ILE 27 22.041 2.733 26.360 205 2HD1 ILE 27 HD12 ILE 27 20.577 2.548 25.394 206 3HD1 ILE 27 HD13 ILE 27 20.789 1.598 26.866 207 H GLY 28 HN GLY 28 18.459 6.696 28.703 208 1HA GLY 28 HA2 GLY 28 18.627 8.844 27.912 209 2HA GLY 28 HA1 GLY 28 20.199 8.911 28.694 210 H SER 29 HN SER 29 18.942 6.986 25.985 211 HA SER 29 HA SER 29 21.123 8.077 24.337 212 1HB SER 29 HB2 SER 29 20.037 5.252 24.369 213 2HB SER 29 HB1 SER 29 21.265 5.855 23.258 214 HG SER 29 HG SER 29 21.856 6.374 25.872 215 HA PRO 30 HA PRO 30 17.928 9.043 21.434 216 1HB PRO 30 HB2 PRO 30 19.397 9.532 19.254 217 2HB PRO 30 HB1 PRO 30 19.505 10.566 20.682 218 1HG PRO 30 HG2 PRO 30 21.349 8.401 19.767 219 2HG PRO 30 HG1 PRO 30 21.737 9.987 20.458 220 1HD PRO 30 HD2 PRO 30 21.719 7.617 21.876 221 2HD PRO 30 HD1 PRO 30 21.534 9.226 22.599 222 H TRP 31 HN TRP 31 17.995 8.559 18.696 223 HA TRP 31 HA TRP 31 18.219 5.724 18.229 224 1HB TRP 31 HB2 TRP 31 15.744 5.570 17.635 225 2HB TRP 31 HB1 TRP 31 16.125 5.628 19.353 226 HD1 TRP 31 HD1 TRP 31 14.767 7.907 16.544 227 HE1 TRP 31 HE1 TRP 31 13.356 9.767 17.632 228 HE3 TRP 31 HE3 TRP 31 15.673 6.844 21.461 229 HZ2 TRP 31 HZ2 TRP 31 12.715 10.661 20.230 230 HZ3 TRP 31 HZ3 TRP 31 14.626 8.250 23.184 231 HH2 TRP 31 HH2 TRP 31 13.177 10.120 22.581 232 H VAL 32 HN VAL 32 17.576 5.169 15.993 233 HA VAL 32 HA VAL 32 18.104 7.381 14.175 234 HB VAL 32 HB VAL 32 17.794 4.436 13.546 235 1HG1 VAL 32 HG11 VAL 32 18.873 6.707 11.879 236 2HG1 VAL 32 HG12 VAL 32 17.346 5.864 11.623 237 3HG1 VAL 32 HG13 VAL 32 18.871 5.005 11.420 238 1HG2 VAL 32 HG21 VAL 32 20.279 6.097 13.953 239 2HG2 VAL 32 HG22 VAL 32 20.253 4.438 13.355 240 3HG2 VAL 32 HG23 VAL 32 19.703 4.794 14.993 241 H HIS 33 HN HIS 33 15.831 4.620 14.030 242 HA HIS 33 HA HIS 33 13.683 6.549 13.545 243 1HB HIS 33 HB2 HIS 33 14.284 4.122 11.854 244 2HB HIS 33 HB1 HIS 33 12.706 4.901 11.870 245 HD1 HIS 33 HD1 HIS 33 12.819 7.584 11.218 246 HD2 HIS 33 HD2 HIS 33 15.994 5.163 10.028 247 HE1 HIS 33 HE1 HIS 33 13.990 8.844 9.386 248 HE2 HIS 33 HE2 HIS 33 16.038 7.478 8.869 249 H LEU 34 HN LEU 34 11.598 5.810 14.120 250 HA LEU 34 HA LEU 34 11.709 3.683 16.145 251 1HB LEU 34 HB2 LEU 34 10.010 6.171 16.035 252 2HB LEU 34 HB1 LEU 34 9.853 4.912 17.248 253 HG LEU 34 HG LEU 34 12.346 6.554 16.816 254 1HD1 LEU 34 HD11 LEU 34 10.152 6.812 18.860 255 2HD1 LEU 34 HD12 LEU 34 10.567 7.975 17.600 256 3HD1 LEU 34 HD13 LEU 34 11.697 7.661 18.917 257 1HD2 LEU 34 HD21 LEU 34 12.771 4.353 17.771 258 2HD2 LEU 34 HD22 LEU 34 11.545 4.642 19.006 259 3HD2 LEU 34 HD23 LEU 34 13.014 5.617 18.978 260 H ARG 35 HN ARG 35 10.115 2.206 16.272 261 HA ARG 35 HA ARG 35 7.952 2.321 14.305 262 1HB ARG 35 HB2 ARG 35 8.392 -0.289 14.160 263 2HB ARG 35 HB1 ARG 35 9.238 0.842 13.116 264 1HG ARG 35 HG2 ARG 35 10.836 -0.711 13.913 265 2HG ARG 35 HG1 ARG 35 11.130 0.811 14.751 266 1HD ARG 35 HD2 ARG 35 11.267 -0.663 16.495 267 2HD ARG 35 HD1 ARG 35 9.558 -0.243 16.563 268 HE ARG 35 HE ARG 35 9.930 -2.508 14.921 269 1HH1 ARG 35 HH11 ARG 35 9.849 -1.499 18.261 270 2HH1 ARG 35 HH12 ARG 35 9.615 -3.097 18.883 271 1HH2 ARG 35 HH21 ARG 35 9.653 -4.634 15.707 272 2HH2 ARG 35 HH22 ARG 35 9.502 -4.899 17.414 273 H ILE 36 HN ILE 36 6.022 1.622 15.023 274 HA ILE 36 HA ILE 36 5.904 0.665 17.796 275 HB ILE 36 HB ILE 36 4.499 2.628 17.163 276 1HG1 ILE 36 HG12 ILE 36 2.899 0.175 17.927 277 2HG1 ILE 36 HG11 ILE 36 3.895 1.112 19.035 278 1HG2 ILE 36 HG21 ILE 36 3.968 2.045 14.881 279 2HG2 ILE 36 HG22 ILE 36 2.481 2.256 15.807 280 3HG2 ILE 36 HG23 ILE 36 3.059 0.634 15.424 281 1HD1 ILE 36 HD11 ILE 36 1.473 2.109 17.559 282 2HD1 ILE 36 HD12 ILE 36 2.474 3.058 18.658 283 3HD1 ILE 36 HD13 ILE 36 1.556 1.681 19.267 284 H CYS 37 HN CYS 37 4.433 -1.102 18.266 285 HA CYS 37 HA CYS 37 4.601 -3.130 16.138 286 1HB CYS 37 HB2 CYS 37 6.096 -3.448 18.064 287 2HB CYS 37 HB1 CYS 37 4.713 -3.400 19.142 288 H ARG 38 HN ARG 38 2.650 -3.539 15.294 289 HA ARG 38 HA ARG 38 0.273 -2.513 16.462 290 1HB ARG 38 HB2 ARG 38 0.713 -4.285 14.064 291 2HB ARG 38 HB1 ARG 38 -0.852 -3.630 14.516 292 1HG ARG 38 HG2 ARG 38 1.581 -2.012 13.797 293 2HG ARG 38 HG1 ARG 38 0.207 -2.336 12.741 294 1HD ARG 38 HD2 ARG 38 0.195 -0.771 15.318 295 2HD ARG 38 HD1 ARG 38 -0.026 -0.137 13.689 296 HE ARG 38 HE ARG 38 -1.956 -1.936 15.022 297 1HH1 ARG 38 HH11 ARG 38 -1.213 0.692 12.822 298 2HH1 ARG 38 HH12 ARG 38 -2.884 1.127 12.594 299 1HH2 ARG 38 HH21 ARG 38 -4.150 -1.358 14.704 300 2HH2 ARG 38 HH22 ARG 38 -4.542 -0.032 13.656 301 H THR 39 HN THR 39 1.792 -5.108 17.563 302 HA THR 39 HA THR 39 -0.648 -6.717 17.857 303 HB THR 39 HB THR 39 2.158 -7.589 18.540 304 HG1 THR 39 HG1 THR 39 0.689 -7.904 16.101 305 1HG2 THR 39 HG21 THR 39 1.205 -9.839 18.298 306 2HG2 THR 39 HG22 THR 39 -0.371 -9.134 17.936 307 3HG2 THR 39 HG23 THR 39 0.347 -8.915 19.532 308 H CYS 40 HN CYS 40 1.661 -4.802 19.620 309 HA CYS 40 HA CYS 40 0.252 -5.430 22.107 310 1HB CYS 40 HB2 CYS 40 2.279 -5.918 23.322 311 2HB CYS 40 HB1 CYS 40 2.220 -6.959 21.903 312 H GLY 41 HN GLY 41 1.525 -3.112 20.078 313 1HA GLY 41 HA2 GLY 41 1.584 -0.827 20.294 314 2HA GLY 41 HA1 GLY 41 0.943 -1.022 21.916 315 H HIS 42 HN HIS 42 3.898 -2.664 21.123 316 HA HIS 42 HA HIS 42 5.304 -0.878 22.965 317 1HB HIS 42 HB2 HIS 42 5.338 -3.515 23.003 318 2HB HIS 42 HB1 HIS 42 6.568 -3.315 21.761 319 HD1 HIS 42 HD1 HIS 42 8.660 -1.644 22.595 320 HD2 HIS 42 HD2 HIS 42 6.306 -3.459 25.515 321 HE1 HIS 42 HE1 HIS 42 10.034 -1.619 24.698 322 HE2 HIS 42 HE2 HIS 42 8.579 -2.675 26.467 323 H VAL 43 HN VAL 43 6.911 0.453 22.337 324 HA VAL 43 HA VAL 43 7.339 0.765 19.468 325 HB VAL 43 HB VAL 43 8.459 2.557 21.623 326 1HG1 VAL 43 HG11 VAL 43 9.295 3.184 19.524 327 2HG1 VAL 43 HG12 VAL 43 7.962 4.296 19.822 328 3HG1 VAL 43 HG13 VAL 43 7.739 2.928 18.733 329 1HG2 VAL 43 HG21 VAL 43 5.666 2.676 20.494 330 2HG2 VAL 43 HG22 VAL 43 6.409 3.904 21.519 331 3HG2 VAL 43 HG23 VAL 43 6.106 2.287 22.156 332 H GLY 44 HN GLY 44 9.796 1.574 19.056 333 1HA GLY 44 HA2 GLY 44 11.898 0.860 20.691 334 2HA GLY 44 HA1 GLY 44 11.558 -0.555 19.700 335 H CYS 45 HN CYS 45 13.953 1.083 19.666 336 HA CYS 45 HA CYS 45 13.872 2.584 17.220 337 1HB CYS 45 HB2 CYS 45 16.328 2.712 17.486 338 2HB CYS 45 HB1 CYS 45 15.475 3.200 18.945 339 HG CYS 45 HG CYS 45 17.909 1.690 19.393 340 H CYS 46 HN CYS 46 14.511 1.955 15.208 341 HA CYS 46 HA CYS 46 14.250 -0.763 14.518 342 1HB CYS 46 HB2 CYS 46 14.971 -0.004 12.256 343 2HB CYS 46 HB1 CYS 46 13.674 0.969 12.942 344 HG CYS 46 HG CYS 46 16.314 2.048 11.585 345 H ASP 47 HN ASP 47 16.011 -1.815 13.017 346 HA ASP 47 HA ASP 47 18.232 -2.291 14.775 347 1HB ASP 47 HB2 ASP 47 18.835 -4.080 13.260 348 2HB ASP 47 HB1 ASP 47 17.103 -4.130 13.565 349 H ASP 48 HN ASP 48 17.693 0.000 12.462 350 HA ASP 48 HA ASP 48 20.321 0.266 11.383 351 1HB ASP 48 HB2 ASP 48 18.286 2.467 11.806 352 2HB ASP 48 HB1 ASP 48 19.627 2.468 10.667 353 H SER 49 HN SER 49 18.816 0.975 14.362 354 HA SER 49 HA SER 49 20.922 2.743 15.301 355 1HB SER 49 HB2 SER 49 18.641 3.160 16.077 356 2HB SER 49 HB1 SER 49 18.515 1.510 16.679 357 HG SER 49 HG SER 49 20.094 3.647 17.671 358 HA PRO 50 HA PRO 50 23.574 -0.549 16.619 359 1HB PRO 50 HB2 PRO 50 24.706 0.647 18.828 360 2HB PRO 50 HB1 PRO 50 25.210 0.938 17.160 361 1HG PRO 50 HG2 PRO 50 23.400 2.557 18.906 362 2HG PRO 50 HG1 PRO 50 24.658 3.104 17.781 363 1HD PRO 50 HD2 PRO 50 22.059 3.206 17.133 364 2HD PRO 50 HD1 PRO 50 23.300 2.815 15.926 365 H HIS 51 HN HIS 51 21.059 0.680 18.577 366 HA HIS 51 HA HIS 51 21.433 -1.198 20.748 367 1HB HIS 51 HB2 HIS 51 20.423 1.141 20.955 368 2HB HIS 51 HB1 HIS 51 18.983 0.478 20.194 369 HD1 HIS 51 HD1 HIS 51 20.501 1.008 23.423 370 HD2 HIS 51 HD2 HIS 51 17.854 -1.754 21.793 371 HE1 HIS 51 HE1 HIS 51 19.330 -0.051 25.385 372 HE2 HIS 51 HE2 HIS 51 17.852 -1.841 24.379 373 H LYS 52 HN LYS 52 19.424 -0.833 17.893 374 HA LYS 52 HA LYS 52 17.914 -2.161 16.836 375 1HB LYS 52 HB2 LYS 52 19.751 -4.352 17.818 376 2HB LYS 52 HB1 LYS 52 18.657 -4.447 16.443 377 1HG LYS 52 HG2 LYS 52 19.935 -2.558 15.417 378 2HG LYS 52 HG1 LYS 52 21.104 -2.730 16.723 379 1HD LYS 52 HD2 LYS 52 21.524 -5.046 16.023 380 2HD LYS 52 HD1 LYS 52 20.369 -4.846 14.700 381 1HE LYS 52 HE2 LYS 52 21.761 -2.930 13.892 382 2HE LYS 52 HE1 LYS 52 22.958 -3.358 15.111 383 1HZ LYS 52 HZ1 LYS 52 22.044 -5.089 12.879 384 2HZ LYS 52 HZ2 LYS 52 23.181 -5.534 14.063 385 3HZ LYS 52 HZ3 LYS 52 23.531 -4.280 12.971 386 H HIS 53 HN HIS 53 16.631 -1.487 19.026 387 HA HIS 53 HA HIS 53 15.945 -3.766 20.650 388 1HB HIS 53 HB2 HIS 53 15.928 -1.352 21.463 389 2HB HIS 53 HB1 HIS 53 14.440 -1.144 20.543 390 HD1 HIS 53 HD1 HIS 53 13.006 -0.759 22.697 391 HD2 HIS 53 HD2 HIS 53 15.000 -4.411 22.587 392 HE1 HIS 53 HE1 HIS 53 12.010 -2.134 24.544 393 HE2 HIS 53 HE2 HIS 53 13.415 -4.230 24.613 394 H ALA 54 HN ALA 54 14.910 -2.475 17.678 395 HA ALA 54 HA ALA 54 12.212 -3.334 17.683 396 1HB ALA 54 HB1 ALA 54 13.034 -1.675 16.112 397 2HB ALA 54 HB2 ALA 54 12.337 -3.049 15.253 398 3HB ALA 54 HB3 ALA 54 14.089 -2.880 15.368 399 H THR 55 HN THR 55 15.193 -4.813 16.469 400 HA THR 55 HA THR 55 13.902 -7.118 15.418 401 HB THR 55 HB THR 55 16.358 -7.981 15.460 402 HG1 THR 55 HG1 THR 55 17.826 -6.597 16.165 403 1HG2 THR 55 HG21 THR 55 16.876 -6.671 13.456 404 2HG2 THR 55 HG22 THR 55 15.599 -5.527 13.867 405 3HG2 THR 55 HG23 THR 55 15.191 -7.192 13.450 406 H ARG 56 HN ARG 56 15.718 -6.429 18.378 407 HA ARG 56 HA ARG 56 15.714 -9.014 19.445 408 1HB ARG 56 HB2 ARG 56 15.651 -6.372 20.915 409 2HB ARG 56 HB1 ARG 56 16.050 -7.924 21.639 410 1HG ARG 56 HG2 ARG 56 17.968 -8.109 20.095 411 2HG ARG 56 HG1 ARG 56 17.591 -6.497 19.484 412 1HD ARG 56 HD2 ARG 56 17.877 -5.610 21.776 413 2HD ARG 56 HD1 ARG 56 18.354 -7.222 22.312 414 HE ARG 56 HE ARG 56 19.863 -5.562 20.396 415 1HH1 ARG 56 HH11 ARG 56 19.718 -8.094 22.819 416 2HH1 ARG 56 HH12 ARG 56 21.444 -8.321 22.859 417 1HH2 ARG 56 HH21 ARG 56 22.122 -5.866 20.444 418 2HH2 ARG 56 HH22 ARG 56 22.808 -7.064 21.501 419 H HIS 57 HN HIS 57 13.266 -6.482 19.521 420 HA HIS 57 HA HIS 57 11.554 -7.701 21.401 421 1HB HIS 57 HB2 HIS 57 11.277 -5.352 20.750 422 2HB HIS 57 HB1 HIS 57 10.843 -5.846 19.116 423 HD1 HIS 57 HD1 HIS 57 9.507 -5.869 22.653 424 HD2 HIS 57 HD2 HIS 57 8.232 -6.645 18.760 425 HE1 HIS 57 HE1 HIS 57 7.000 -6.202 22.767 426 H PHE 58 HN PHE 58 11.687 -7.884 17.861 427 HA PHE 58 HA PHE 58 9.462 -9.577 17.529 428 1HB PHE 58 HB2 PHE 58 10.351 -8.429 15.615 429 2HB PHE 58 HB1 PHE 58 11.932 -9.166 15.838 430 HD1 PHE 58 HD1 PHE 58 8.473 -10.582 15.719 431 HD2 PHE 58 HD2 PHE 58 12.388 -10.542 14.079 432 HE1 PHE 58 HE1 PHE 58 7.853 -12.417 14.203 433 HE2 PHE 58 HE2 PHE 58 11.783 -12.376 12.558 434 HZ PHE 58 HZ PHE 58 9.509 -13.318 12.620 435 H HIS 59 HN HIS 59 12.902 -10.244 17.940 436 HA HIS 59 HA HIS 59 12.760 -13.042 17.691 437 1HB HIS 59 HB2 HIS 59 14.846 -11.769 17.502 438 2HB HIS 59 HB1 HIS 59 14.743 -11.324 19.199 439 HD1 HIS 59 HD1 HIS 59 15.017 -14.502 17.111 440 HD2 HIS 59 HD2 HIS 59 16.142 -12.973 20.816 441 HE1 HIS 59 HE1 HIS 59 16.468 -16.267 18.166 442 HE2 HIS 59 HE2 HIS 59 17.273 -15.248 20.328 443 H ALA 60 HN ALA 60 12.098 -10.906 20.367 444 HA ALA 60 HA ALA 60 12.198 -13.021 22.339 445 1HB ALA 60 HB1 ALA 60 11.330 -10.146 22.606 446 2HB ALA 60 HB2 ALA 60 12.941 -10.784 22.939 447 3HB ALA 60 HB3 ALA 60 11.572 -11.280 23.934 448 H THR 61 HN THR 61 9.647 -10.892 21.023 449 HA THR 61 HA THR 61 7.645 -12.400 22.505 450 HB THR 61 HB THR 61 6.051 -10.683 21.576 451 HG1 THR 61 HG1 THR 61 8.497 -9.576 20.605 452 1HG2 THR 61 HG21 THR 61 7.067 -10.473 23.807 453 2HG2 THR 61 HG22 THR 61 6.804 -8.901 23.051 454 3HG2 THR 61 HG23 THR 61 8.425 -9.598 23.095 455 H GLY 62 HN GLY 62 8.730 -12.004 19.209 456 1HA GLY 62 HA2 GLY 62 8.169 -13.275 17.350 457 2HA GLY 62 HA1 GLY 62 6.972 -14.117 18.325 458 H HIS 63 HN HIS 63 7.407 -10.680 17.559 459 HA HIS 63 HA HIS 63 4.670 -10.677 16.464 460 1HB HIS 63 HB2 HIS 63 6.156 -8.475 17.921 461 2HB HIS 63 HB1 HIS 63 4.633 -8.230 17.076 462 HD2 HIS 63 HD2 HIS 63 3.766 -11.378 18.518 463 HE1 HIS 63 HE1 HIS 63 3.331 -8.707 21.776 464 HE2 HIS 63 HE2 HIS 63 2.583 -10.928 20.785 465 HA PRO 64 HA PRO 64 7.479 -9.951 13.019 466 1HB PRO 64 HB2 PRO 64 5.992 -11.059 11.099 467 2HB PRO 64 HB1 PRO 64 6.783 -12.041 12.338 468 1HG PRO 64 HG2 PRO 64 3.929 -11.148 12.167 469 2HG PRO 64 HG1 PRO 64 4.578 -12.740 12.603 470 1HD PRO 64 HD2 PRO 64 3.756 -10.864 14.428 471 2HD PRO 64 HD1 PRO 64 4.959 -12.123 14.771 472 H ILE 65 HN ILE 65 4.733 -8.205 13.694 473 HA ILE 65 HA ILE 65 5.096 -6.690 11.200 474 HB ILE 65 HB ILE 65 2.470 -7.189 12.597 475 1HG1 ILE 65 HG12 ILE 65 3.520 -7.842 9.835 476 2HG1 ILE 65 HG11 ILE 65 3.133 -8.989 11.113 477 1HG2 ILE 65 HG21 ILE 65 3.079 -5.308 10.313 478 2HG2 ILE 65 HG22 ILE 65 2.587 -4.847 11.942 479 3HG2 ILE 65 HG23 ILE 65 1.465 -5.719 10.898 480 1HD1 ILE 65 HD11 ILE 65 1.165 -7.225 9.678 481 2HD1 ILE 65 HD12 ILE 65 0.782 -8.406 10.932 482 3HD1 ILE 65 HD13 ILE 65 1.428 -8.943 9.380 483 H ILE 66 HN ILE 66 5.574 -4.661 11.384 484 HA ILE 66 HA ILE 66 4.958 -3.245 13.886 485 HB ILE 66 HB ILE 66 7.072 -1.978 13.646 486 1HG1 ILE 66 HG12 ILE 66 7.808 -4.098 11.616 487 2HG1 ILE 66 HG11 ILE 66 7.379 -2.440 11.211 488 1HG2 ILE 66 HG21 ILE 66 7.385 -4.959 13.937 489 2HG2 ILE 66 HG22 ILE 66 6.919 -3.826 15.206 490 3HG2 ILE 66 HG23 ILE 66 8.534 -3.746 14.502 491 1HD1 ILE 66 HD11 ILE 66 9.308 -1.635 12.465 492 2HD1 ILE 66 HD12 ILE 66 9.782 -2.762 11.193 493 3HD1 ILE 66 HD13 ILE 66 9.734 -3.298 12.874 494 H GLU 67 HN GLU 67 5.303 -0.805 13.485 495 HA GLU 67 HA GLU 67 4.335 -0.061 10.823 496 1HB GLU 67 HB2 GLU 67 2.382 -0.435 12.248 497 2HB GLU 67 HB1 GLU 67 3.039 0.655 13.457 498 1HG GLU 67 HG2 GLU 67 2.815 2.521 11.923 499 2HG GLU 67 HG1 GLU 67 2.200 1.431 10.675 500 H GLY 68 HN GLY 68 4.784 2.081 10.244 501 1HA GLY 68 HA2 GLY 68 7.149 3.175 11.367 502 2HA GLY 68 HA1 GLY 68 6.144 3.930 10.141 503 H TYR 69 HN TYR 69 7.074 3.904 13.408 504 HA TYR 69 HA TYR 69 4.872 5.567 14.310 505 1HB TYR 69 HB2 TYR 69 6.012 3.796 15.742 506 2HB TYR 69 HB1 TYR 69 7.401 4.873 15.816 507 HD1 TYR 69 HD1 TYR 69 4.101 4.152 17.101 508 HD2 TYR 69 HD2 TYR 69 7.175 7.087 16.961 509 HE1 TYR 69 HE1 TYR 69 3.096 5.288 19.035 510 HE2 TYR 69 HE2 TYR 69 6.178 8.230 18.895 511 HH TYR 69 HH TYR 69 4.060 6.883 20.936 512 H ASP 70 HN ASP 70 8.355 5.828 13.706 513 HA ASP 70 HA ASP 70 8.392 8.645 14.238 514 1HB ASP 70 HB2 ASP 70 10.439 7.564 14.684 515 2HB ASP 70 HB1 ASP 70 10.459 6.760 13.121 516 HA PRO 71 HA PRO 71 8.373 9.150 9.520 517 1HB PRO 71 HB2 PRO 71 8.038 6.653 8.140 518 2HB PRO 71 HB1 PRO 71 9.430 7.735 8.103 519 1HG PRO 71 HG2 PRO 71 9.456 5.221 9.215 520 2HG PRO 71 HG1 PRO 71 10.563 6.527 9.674 521 1HD PRO 71 HD2 PRO 71 8.060 5.595 11.034 522 2HD PRO 71 HD1 PRO 71 9.613 6.082 11.741 523 HA PRO 72 HA PRO 72 3.934 8.559 10.136 524 1HB PRO 72 HB2 PRO 72 3.570 11.242 9.148 525 2HB PRO 72 HB1 PRO 72 3.426 10.656 10.805 526 1HG PRO 72 HG2 PRO 72 5.394 12.359 9.952 527 2HG PRO 72 HG1 PRO 72 5.558 11.270 11.341 528 1HD PRO 72 HD2 PRO 72 6.565 10.938 8.540 529 2HD PRO 72 HD1 PRO 72 7.363 10.548 10.080 530 H GLU 73 HN GLU 73 5.234 7.685 7.697 531 HA GLU 73 HA GLU 73 3.671 8.748 5.503 532 1HB GLU 73 HB2 GLU 73 5.551 6.379 5.571 533 2HB GLU 73 HB1 GLU 73 4.912 7.157 4.131 534 1HG GLU 73 HG2 GLU 73 6.137 9.169 4.615 535 2HG GLU 73 HG1 GLU 73 6.681 8.507 6.156 536 H GLY 74 HN GLY 74 3.273 6.454 7.921 537 1HA GLY 74 HA2 GLY 74 1.530 5.018 8.365 538 2HA GLY 74 HA1 GLY 74 0.755 5.602 6.900 539 H TRP 75 HN TRP 75 3.249 3.403 8.094 540 HA TRP 75 HA TRP 75 2.616 1.596 5.896 541 1HB TRP 75 HB2 TRP 75 5.056 1.207 5.486 542 2HB TRP 75 HB1 TRP 75 4.487 2.799 4.999 543 HD1 TRP 75 HD1 TRP 75 5.280 4.892 6.516 544 HE1 TRP 75 HE1 TRP 75 7.343 5.200 8.015 545 HE3 TRP 75 HE3 TRP 75 6.631 -0.010 7.057 546 HZ2 TRP 75 HZ2 TRP 75 9.287 3.583 9.266 547 HZ3 TRP 75 HZ3 TRP 75 8.607 -0.540 8.425 548 HH2 TRP 75 HH2 TRP 75 9.905 1.219 9.504 549 H GLY 76 HN GLY 76 3.044 -0.552 6.293 550 1HA GLY 76 HA2 GLY 76 3.880 -1.186 9.054 551 2HA GLY 76 HA1 GLY 76 2.637 -2.086 8.195 552 H TRP 77 HN TRP 77 5.476 -2.591 9.321 553 HA TRP 77 HA TRP 77 6.620 -3.796 6.891 554 1HB TRP 77 HB2 TRP 77 8.094 -2.167 7.948 555 2HB TRP 77 HB1 TRP 77 7.957 -3.002 9.488 556 HD1 TRP 77 HD1 TRP 77 9.697 -4.867 9.962 557 HE1 TRP 77 HE1 TRP 77 11.601 -5.959 8.606 558 HE3 TRP 77 HE3 TRP 77 8.661 -2.876 5.374 559 HZ2 TRP 77 HZ2 TRP 77 12.520 -5.976 5.941 560 HZ3 TRP 77 HZ3 TRP 77 10.098 -3.481 3.473 561 HH2 TRP 77 HH2 TRP 77 11.988 -4.998 3.752 562 H CYS 78 HN CYS 78 6.586 -5.915 6.730 563 HA CYS 78 HA CYS 78 5.937 -7.497 9.127 564 1HB CYS 78 HB2 CYS 78 4.463 -7.523 7.011 565 2HB CYS 78 HB1 CYS 78 5.760 -8.439 6.267 566 H TYR 79 HN TYR 79 7.770 -8.233 10.048 567 HA TYR 79 HA TYR 79 10.297 -8.288 8.937 568 1HB TYR 79 HB2 TYR 79 9.150 -9.931 11.193 569 2HB TYR 79 HB1 TYR 79 10.858 -9.934 10.779 570 HD1 TYR 79 HD1 TYR 79 12.020 -7.599 10.743 571 HD2 TYR 79 HD2 TYR 79 8.357 -8.400 12.752 572 HE1 TYR 79 HE1 TYR 79 12.391 -5.645 12.187 573 HE2 TYR 79 HE2 TYR 79 8.714 -6.445 14.194 574 HH TYR 79 HH TYR 79 11.233 -4.148 13.574 575 H VAL 80 HN VAL 80 8.154 -11.097 9.366 576 HA VAL 80 HA VAL 80 9.953 -12.940 8.219 577 HB VAL 80 HB VAL 80 8.006 -14.499 8.154 578 1HG1 VAL 80 HG11 VAL 80 8.448 -12.974 10.718 579 2HG1 VAL 80 HG12 VAL 80 9.386 -14.349 10.137 580 3HG1 VAL 80 HG13 VAL 80 7.698 -14.565 10.601 581 1HG2 VAL 80 HG21 VAL 80 5.893 -13.785 9.159 582 2HG2 VAL 80 HG22 VAL 80 6.242 -12.872 7.691 583 3HG2 VAL 80 HG23 VAL 80 6.500 -12.133 9.271 584 H ASP 81 HN ASP 81 7.797 -10.720 6.769 585 HA ASP 81 HA ASP 81 7.715 -12.202 4.241 586 1HB ASP 81 HB2 ASP 81 6.368 -9.615 5.045 587 2HB ASP 81 HB1 ASP 81 6.185 -10.401 3.485 588 H GLU 82 HN GLU 82 9.021 -9.356 5.747 589 HA GLU 82 HA GLU 82 10.472 -7.749 5.141 590 1HB GLU 82 HB2 GLU 82 11.162 -9.711 2.958 591 2HB GLU 82 HB1 GLU 82 11.993 -8.175 3.166 592 1HG GLU 82 HG2 GLU 82 12.429 -8.960 5.565 593 2HG GLU 82 HG1 GLU 82 11.972 -10.558 4.975 594 H VAL 83 HN VAL 83 7.743 -7.722 4.252 595 HA VAL 83 HA VAL 83 8.053 -5.960 1.920 596 HB VAL 83 HB VAL 83 5.717 -6.384 1.328 597 1HG1 VAL 83 HG11 VAL 83 7.468 -7.736 0.305 598 2HG1 VAL 83 HG12 VAL 83 5.975 -8.657 0.488 599 3HG1 VAL 83 HG13 VAL 83 7.317 -8.923 1.602 600 1HG2 VAL 83 HG21 VAL 83 5.752 -8.380 3.588 601 2HG2 VAL 83 HG22 VAL 83 4.469 -8.224 2.389 602 3HG2 VAL 83 HG23 VAL 83 4.797 -6.901 3.507 603 H MET 84 HN MET 84 7.229 -3.959 2.000 604 HA MET 84 HA MET 84 6.066 -3.075 4.557 605 1HB MET 84 HB2 MET 84 8.170 -1.983 3.910 606 2HB MET 84 HB1 MET 84 7.454 -1.494 2.383 607 1HG MET 84 HG2 MET 84 5.830 -0.118 3.599 608 2HG MET 84 HG1 MET 84 6.593 -0.585 5.120 609 1HE MET 84 HE1 MET 84 7.173 1.239 1.652 610 2HE MET 84 HE2 MET 84 8.473 0.051 1.751 611 3HE MET 84 HE3 MET 84 8.845 1.772 1.844 612 H PHE 85 HN PHE 85 3.933 -2.790 4.533 613 HA PHE 85 HA PHE 85 2.659 -2.154 1.959 614 1HB PHE 85 HB2 PHE 85 0.563 -3.084 3.061 615 2HB PHE 85 HB1 PHE 85 1.825 -4.244 2.670 616 HD1 PHE 85 HD1 PHE 85 0.216 -2.378 5.411 617 HD2 PHE 85 HD2 PHE 85 2.893 -5.511 4.353 618 HE1 PHE 85 HE1 PHE 85 0.190 -3.179 7.733 619 HE2 PHE 85 HE2 PHE 85 2.872 -6.320 6.675 620 HZ PHE 85 HZ PHE 85 1.519 -5.154 8.371 621 H ASP 86 HN ASP 86 0.500 -0.991 2.250 622 HA ASP 86 HA ASP 86 1.127 1.502 3.568 623 1HB ASP 86 HB2 ASP 86 0.259 1.706 1.363 624 2HB ASP 86 HB1 ASP 86 -1.092 0.634 1.718 625 H LEU 87 HN LEU 87 0.286 2.271 5.382 626 HA LEU 87 HA LEU 87 -2.169 1.074 6.472 627 1HB LEU 87 HB2 LEU 87 0.453 1.466 7.891 628 2HB LEU 87 HB1 LEU 87 -1.059 1.413 8.774 629 HG LEU 87 HG LEU 87 0.052 -0.812 7.061 630 1HD1 LEU 87 HD11 LEU 87 -0.172 -0.518 10.054 631 2HD1 LEU 87 HD12 LEU 87 1.319 -0.503 9.112 632 3HD1 LEU 87 HD13 LEU 87 0.348 -1.972 9.202 633 1HD2 LEU 87 HD21 LEU 87 -2.392 -0.722 8.829 634 2HD2 LEU 87 HD22 LEU 87 -1.779 -2.141 7.979 635 3HD2 LEU 87 HD23 LEU 87 -2.395 -0.763 7.066 636 H SER 88 HN SER 88 -1.341 3.654 5.087 637 HA SER 88 HA SER 88 -0.998 5.767 6.834 638 1HB SER 88 HB2 SER 88 -0.749 5.888 4.374 639 2HB SER 88 HB1 SER 88 -2.503 5.829 4.214 640 HG SER 88 HG SER 88 -1.768 7.966 4.138 641 H ASP 89 HN ASP 89 -4.047 4.309 5.772 642 HA ASP 89 HA ASP 89 -5.629 6.355 7.064 643 1HB ASP 89 HB2 ASP 89 -6.402 3.765 5.715 644 2HB ASP 89 HB1 ASP 89 -7.560 4.907 6.381 645 H ARG 90 HN ARG 90 -4.093 3.546 8.128 646 HA ARG 90 HA ARG 90 -6.029 3.230 10.325 647 1HB ARG 90 HB2 ARG 90 -4.627 1.017 8.818 648 2HB ARG 90 HB1 ARG 90 -5.645 0.790 10.235 649 1HG ARG 90 HG2 ARG 90 -7.563 1.643 9.024 650 2HG ARG 90 HG1 ARG 90 -6.554 1.954 7.611 651 1HD ARG 90 HD2 ARG 90 -6.096 -0.433 7.405 652 2HD ARG 90 HD1 ARG 90 -7.072 -0.752 8.840 653 HE ARG 90 HE ARG 90 -8.928 0.346 7.434 654 1HH1 ARG 90 HH11 ARG 90 -6.355 -1.655 6.140 655 2HH1 ARG 90 HH12 ARG 90 -7.307 -2.216 4.792 656 1HH2 ARG 90 HH21 ARG 90 -10.164 -0.367 5.682 657 2HH2 ARG 90 HH22 ARG 90 -9.474 -1.473 4.524 658 H MET 91 HN MET 91 -3.204 4.438 9.870 659 HA MET 91 HA MET 91 -1.480 2.831 11.486 660 1HB MET 91 HB2 MET 91 0.121 4.640 11.304 661 2HB MET 91 HB1 MET 91 -0.600 4.325 9.733 662 1HG MET 91 HG2 MET 91 -2.037 6.258 9.972 663 2HG MET 91 HG1 MET 91 -1.400 6.554 11.589 664 1HE MET 91 HE1 MET 91 1.709 5.890 11.169 665 2HE MET 91 HE2 MET 91 1.092 7.264 12.087 666 3HE MET 91 HE3 MET 91 2.318 7.513 10.844 667 H THR 92 HN THR 92 -0.419 3.677 13.450 668 HA THR 92 HA THR 92 -2.478 4.463 15.330 669 HB THR 92 HB THR 92 0.414 3.952 15.998 670 HG1 THR 92 HG1 THR 92 -0.252 2.188 14.750 671 1HG2 THR 92 HG21 THR 92 -1.018 4.792 17.792 672 2HG2 THR 92 HG22 THR 92 -0.553 3.119 18.099 673 3HG2 THR 92 HG23 THR 92 -2.169 3.488 17.497 674 HA PRO 93 HA PRO 93 -1.179 8.757 15.252 675 1HB PRO 93 HB2 PRO 93 -2.837 9.574 17.250 676 2HB PRO 93 HB1 PRO 93 -3.381 9.321 15.588 677 1HG PRO 93 HG2 PRO 93 -3.638 7.520 17.961 678 2HG PRO 93 HG1 PRO 93 -4.825 7.882 16.695 679 1HD PRO 93 HD2 PRO 93 -3.351 5.608 16.713 680 2HD PRO 93 HD1 PRO 93 -3.883 6.392 15.213 681 H HIS 94 HN HIS 94 0.514 9.631 16.256 682 HA HIS 94 HA HIS 94 1.582 8.435 18.635 683 1HB HIS 94 HB2 HIS 94 3.385 10.106 18.428 684 2HB HIS 94 HB1 HIS 94 3.108 9.257 16.914 685 HD1 HIS 94 HD1 HIS 94 1.997 10.641 14.969 686 HD2 HIS 94 HD2 HIS 94 2.996 12.849 18.353 687 HE1 HIS 94 HE1 HIS 94 1.916 13.055 14.258 688 HE2 HIS 94 HE2 HIS 94 2.346 14.372 16.367 689 H ASN 95 HN ASN 95 1.313 9.053 20.689 690 HA ASN 95 HA ASN 95 -0.537 11.259 21.164 691 1HB ASN 95 HB2 ASN 95 -0.773 10.321 23.434 692 2HB ASN 95 HB1 ASN 95 -1.118 9.130 22.188 693 1HD2 ASN 95 HD21 ASN 95 0.200 7.360 21.968 694 2HD2 ASN 95 HD22 ASN 95 1.423 6.948 23.120 695 H GLY 96 HN GLY 96 2.479 11.391 20.639 696 1HA GLY 96 HA2 GLY 96 2.930 13.654 22.298 697 2HA GLY 96 HA1 GLY 96 3.884 12.278 22.838 698 HA PRO 97 HA PRO 97 5.839 14.418 19.087 699 1HB PRO 97 HB2 PRO 97 7.464 16.237 20.204 700 2HB PRO 97 HB1 PRO 97 5.767 16.595 19.862 701 1HG PRO 97 HG2 PRO 97 7.060 15.848 22.455 702 2HG PRO 97 HG1 PRO 97 5.819 17.074 22.134 703 1HD PRO 97 HD2 PRO 97 5.288 14.573 23.133 704 2HD PRO 97 HD1 PRO 97 4.121 15.546 22.217 705 H ILE 98 HN ILE 98 7.947 14.037 18.341 706 HA ILE 98 HA ILE 98 9.634 12.449 20.171 707 HB ILE 98 HB ILE 98 9.276 12.122 17.185 708 1HG1 ILE 98 HG12 ILE 98 8.548 10.276 19.472 709 2HG1 ILE 98 HG11 ILE 98 7.405 11.264 18.565 710 1HG2 ILE 98 HG21 ILE 98 10.777 10.210 17.369 711 2HG2 ILE 98 HG22 ILE 98 11.011 10.545 19.084 712 3HG2 ILE 98 HG23 ILE 98 11.587 11.693 17.876 713 1HD1 ILE 98 HD11 ILE 98 9.102 9.056 17.431 714 2HD1 ILE 98 HD12 ILE 98 7.926 10.025 16.542 715 3HD1 ILE 98 HD13 ILE 98 7.389 8.945 17.830 716 HA PRO 99 HA PRO 99 12.657 15.706 19.490 717 1HB PRO 99 HB2 PRO 99 14.471 13.582 20.498 718 2HB PRO 99 HB1 PRO 99 14.260 15.242 21.063 719 1HG PRO 99 HG2 PRO 99 13.296 13.187 22.462 720 2HG PRO 99 HG1 PRO 99 12.401 14.713 22.339 721 1HD PRO 99 HD2 PRO 99 11.933 12.119 20.931 722 2HD PRO 99 HD1 PRO 99 10.756 13.283 21.573 723 H ARG 100 HN ARG 100 13.812 16.152 17.705 724 HA ARG 100 HA ARG 100 14.121 14.025 15.751 725 1HB ARG 100 HB2 ARG 100 13.235 16.407 15.289 726 2HB ARG 100 HB1 ARG 100 14.926 16.893 15.333 727 1HG ARG 100 HG2 ARG 100 14.413 16.536 13.063 728 2HG ARG 100 HG1 ARG 100 15.341 15.121 13.572 729 1HD ARG 100 HD2 ARG 100 12.726 14.440 14.144 730 2HD ARG 100 HD1 ARG 100 12.606 15.310 12.617 731 HE ARG 100 HE ARG 100 14.572 13.634 12.030 732 1HH1 ARG 100 HH11 ARG 100 11.557 13.071 13.721 733 2HH1 ARG 100 HH12 ARG 100 11.463 11.391 13.273 734 1HH2 ARG 100 HH21 ARG 100 14.421 11.448 11.385 735 2HH2 ARG 100 HH22 ARG 100 13.078 10.480 11.923 736 H TYR 101 HN TYR 101 15.875 12.780 16.094 737 HA TYR 101 HA TYR 101 18.431 14.106 16.649 738 1HB TYR 101 HB2 TYR 101 17.657 11.189 16.847 739 2HB TYR 101 HB1 TYR 101 19.259 11.832 17.200 740 HD1 TYR 101 HD1 TYR 101 19.246 13.832 18.962 741 HD2 TYR 101 HD2 TYR 101 16.218 10.862 18.621 742 HE1 TYR 101 HE1 TYR 101 18.567 14.267 21.283 743 HE2 TYR 101 HE2 TYR 101 15.530 11.292 20.943 744 HH TYR 101 HH TYR 101 16.528 14.007 22.680 745 H VAL 102 HN VAL 102 16.676 12.869 14.091 746 HA VAL 102 HA VAL 102 19.094 12.722 12.456 747 HB VAL 102 HB VAL 102 17.960 10.841 11.136 748 1HG1 VAL 102 HG11 VAL 102 18.857 9.102 12.644 749 2HG1 VAL 102 HG12 VAL 102 19.007 10.314 13.917 750 3HG1 VAL 102 HG13 VAL 102 19.961 10.461 12.441 751 1HG2 VAL 102 HG21 VAL 102 16.454 10.561 13.734 752 2HG2 VAL 102 HG22 VAL 102 16.458 9.392 12.414 753 3HG2 VAL 102 HG23 VAL 102 15.758 10.993 12.172 Start of MODEL 5 1 1H MET 1 HT1 MET 1 4.169 -0.570 -3.508 2 2H MET 1 HT2 MET 1 5.258 -1.701 -2.878 3 3H MET 1 HT3 MET 1 5.357 -0.071 -2.405 4 HA MET 1 HA MET 1 4.355 -1.376 -0.668 5 1HB MET 1 HB2 MET 1 2.369 -0.054 -0.315 6 2HB MET 1 HB1 MET 1 3.586 0.966 -1.066 7 1HG MET 1 HG2 MET 1 1.269 -0.331 -2.488 8 2HG MET 1 HG1 MET 1 1.348 1.353 -1.975 9 1HE MET 1 HE1 MET 1 1.623 1.656 -5.861 10 2HE MET 1 HE2 MET 1 0.759 2.176 -4.414 11 3HE MET 1 HE3 MET 1 0.647 0.501 -4.954 12 H THR 2 HN THR 2 2.046 -2.248 -0.068 13 HA THR 2 HA THR 2 0.704 -3.692 -2.145 14 HB THR 2 HB THR 2 2.736 -5.105 -1.724 15 HG1 THR 2 HG1 THR 2 1.496 -7.052 -1.502 16 1HG2 THR 2 HG21 THR 2 2.856 -6.408 0.346 17 2HG2 THR 2 HG22 THR 2 1.473 -5.523 0.989 18 3HG2 THR 2 HG23 THR 2 2.991 -4.680 0.676 19 H MET 3 HN MET 3 -0.763 -5.468 -0.798 20 HA MET 3 HA MET 3 -2.353 -3.759 0.907 21 1HB MET 3 HB2 MET 3 -2.801 -6.577 -0.086 22 2HB MET 3 HB1 MET 3 -3.947 -5.688 0.908 23 1HG MET 3 HG2 MET 3 -4.156 -3.993 -0.827 24 2HG MET 3 HG1 MET 3 -2.988 -4.861 -1.822 25 1HE MET 3 HE1 MET 3 -4.721 -4.808 -3.835 26 2HE MET 3 HE2 MET 3 -5.891 -3.963 -2.823 27 3HE MET 3 HE3 MET 3 -6.376 -5.403 -3.719 28 H GLY 4 HN GLY 4 -0.547 -6.810 1.245 29 1HA GLY 4 HA2 GLY 4 0.617 -6.400 3.615 30 2HA GLY 4 HA1 GLY 4 -1.021 -6.783 4.120 31 H CYS 5 HN CYS 5 -0.946 -8.728 4.964 32 HA CYS 5 HA CYS 5 -0.386 -11.017 3.352 33 1HB CYS 5 HB2 CYS 5 1.404 -11.958 4.724 34 2HB CYS 5 HB1 CYS 5 1.916 -10.414 4.051 35 H ARG 6 HN ARG 6 -0.567 -13.069 4.924 36 HA ARG 6 HA ARG 6 -3.120 -12.920 6.061 37 1HB ARG 6 HB2 ARG 6 -2.681 -15.168 6.970 38 2HB ARG 6 HB1 ARG 6 -2.226 -15.027 5.279 39 1HG ARG 6 HG2 ARG 6 0.124 -14.765 5.956 40 2HG ARG 6 HG1 ARG 6 -0.359 -14.976 7.640 41 1HD ARG 6 HD2 ARG 6 0.513 -17.051 6.648 42 2HD ARG 6 HD1 ARG 6 -1.167 -17.207 7.163 43 HE ARG 6 HE ARG 6 -1.340 -16.504 4.531 44 1HH1 ARG 6 HH11 ARG 6 0.322 -19.062 6.258 45 2HH1 ARG 6 HH12 ARG 6 0.169 -20.209 4.956 46 1HH2 ARG 6 HH21 ARG 6 -1.543 -17.986 2.835 47 2HH2 ARG 6 HH22 ARG 6 -0.886 -19.589 2.995 48 H HIS 7 HN HIS 7 0.019 -12.394 7.506 49 HA HIS 7 HA HIS 7 -0.662 -12.582 10.221 50 1HB HIS 7 HB2 HIS 7 1.373 -10.802 8.865 51 2HB HIS 7 HB1 HIS 7 1.251 -11.008 10.607 52 HD2 HIS 7 HD2 HIS 7 1.289 -14.102 11.051 53 HE1 HIS 7 HE1 HIS 7 4.561 -14.166 8.366 54 HE2 HIS 7 HE2 HIS 7 3.463 -15.334 10.332 55 H VAL 8 HN VAL 8 -1.438 -10.185 7.863 56 HA VAL 8 HA VAL 8 -1.695 -7.945 9.571 57 HB VAL 8 HB VAL 8 -1.657 -8.194 6.895 58 1HG1 VAL 8 HG11 VAL 8 -3.798 -7.549 5.939 59 2HG1 VAL 8 HG12 VAL 8 -4.555 -7.682 7.526 60 3HG1 VAL 8 HG13 VAL 8 -3.909 -9.120 6.734 61 1HG2 VAL 8 HG21 VAL 8 -2.916 -5.931 8.428 62 2HG2 VAL 8 HG22 VAL 8 -2.289 -5.830 6.782 63 3HG2 VAL 8 HG23 VAL 8 -1.195 -6.166 8.124 64 H ALA 9 HN ALA 9 -3.770 -10.627 8.872 65 HA ALA 9 HA ALA 9 -6.229 -9.412 9.645 66 1HB ALA 9 HB1 ALA 9 -7.132 -11.668 9.594 67 2HB ALA 9 HB2 ALA 9 -5.502 -12.334 9.510 68 3HB ALA 9 HB3 ALA 9 -6.128 -11.369 8.175 69 H GLY 10 HN GLY 10 -3.610 -9.956 11.499 70 1HA GLY 10 HA2 GLY 10 -5.250 -10.588 13.876 71 2HA GLY 10 HA1 GLY 10 -3.584 -11.118 13.696 72 H ILE 11 HN ILE 11 -4.113 -8.005 12.459 73 HA ILE 11 HA ILE 11 -2.744 -6.895 14.805 74 HB ILE 11 HB ILE 11 -2.055 -5.041 13.410 75 1HG1 ILE 11 HG12 ILE 11 -3.530 -6.408 11.153 76 2HG1 ILE 11 HG11 ILE 11 -4.100 -4.972 11.991 77 1HG2 ILE 11 HG21 ILE 11 -0.593 -6.236 11.867 78 2HG2 ILE 11 HG22 ILE 11 -1.583 -7.685 12.044 79 3HG2 ILE 11 HG23 ILE 11 -0.684 -7.057 13.425 80 1HD1 ILE 11 HD11 ILE 11 -1.529 -5.146 10.441 81 2HD1 ILE 11 HD12 ILE 11 -2.230 -3.700 11.171 82 3HD1 ILE 11 HD13 ILE 11 -3.045 -4.494 9.821 83 H ARG 12 HN ARG 12 -3.387 -4.943 15.731 84 HA ARG 12 HA ARG 12 -6.011 -3.899 14.938 85 1HB ARG 12 HB2 ARG 12 -6.444 -3.527 17.437 86 2HB ARG 12 HB1 ARG 12 -6.637 -5.159 16.816 87 1HG ARG 12 HG2 ARG 12 -3.978 -4.463 17.901 88 2HG ARG 12 HG1 ARG 12 -5.307 -4.593 19.057 89 1HD ARG 12 HD2 ARG 12 -4.521 -6.706 17.048 90 2HD ARG 12 HD1 ARG 12 -4.112 -6.727 18.765 91 HE ARG 12 HE ARG 12 -6.780 -6.509 18.847 92 1HH1 ARG 12 HH11 ARG 12 -4.720 -8.671 16.996 93 2HH1 ARG 12 HH12 ARG 12 -5.881 -9.966 16.987 94 1HH2 ARG 12 HH21 ARG 12 -8.297 -8.207 18.820 95 2HH2 ARG 12 HH22 ARG 12 -7.902 -9.705 18.034 96 H THR 13 HN THR 13 -6.399 -1.724 16.122 97 HA THR 13 HA THR 13 -4.016 -0.098 15.781 98 HB THR 13 HB THR 13 -6.810 0.785 16.550 99 HG1 THR 13 HG1 THR 13 -7.131 1.108 14.338 100 1HG2 THR 13 HG21 THR 13 -4.471 2.300 15.377 101 2HG2 THR 13 HG22 THR 13 -5.068 2.438 17.030 102 3HG2 THR 13 HG23 THR 13 -6.075 2.966 15.682 103 H VAL 14 HN VAL 14 -2.665 -0.277 17.454 104 HA VAL 14 HA VAL 14 -3.743 -0.748 20.118 105 HB VAL 14 HB VAL 14 -1.413 -1.341 20.711 106 1HG1 VAL 14 HG11 VAL 14 -2.986 -3.042 19.906 107 2HG1 VAL 14 HG12 VAL 14 -1.331 -3.407 19.420 108 3HG1 VAL 14 HG13 VAL 14 -2.465 -2.735 18.249 109 1HG2 VAL 14 HG21 VAL 14 -0.875 -0.825 17.787 110 2HG2 VAL 14 HG22 VAL 14 0.255 -1.555 18.928 111 3HG2 VAL 14 HG23 VAL 14 -0.253 0.120 19.141 112 H THR 15 HN THR 15 -2.229 0.142 21.911 113 HA THR 15 HA THR 15 -1.982 3.038 21.484 114 HB THR 15 HB THR 15 -2.222 1.572 24.121 115 HG1 THR 15 HG1 THR 15 -4.156 2.479 22.286 116 1HG2 THR 15 HG21 THR 15 -2.613 4.478 23.390 117 2HG2 THR 15 HG22 THR 15 -1.236 3.811 24.268 118 3HG2 THR 15 HG23 THR 15 -2.844 3.777 24.991 119 HA PRO 16 HA PRO 16 2.437 2.434 21.655 120 1HB PRO 16 HB2 PRO 16 2.424 5.306 22.393 121 2HB PRO 16 HB1 PRO 16 3.258 4.487 21.068 122 1HG PRO 16 HG2 PRO 16 1.119 6.010 20.605 123 2HG PRO 16 HG1 PRO 16 1.388 4.509 19.700 124 1HD PRO 16 HD2 PRO 16 -0.482 5.046 21.971 125 2HD PRO 16 HD1 PRO 16 -0.732 4.066 20.511 126 H SER 17 HN SER 17 3.726 1.801 23.263 127 HA SER 17 HA SER 17 2.988 2.092 25.991 128 1HB SER 17 HB2 SER 17 5.617 1.148 24.822 129 2HB SER 17 HB1 SER 17 5.044 0.862 26.466 130 HG SER 17 HG SER 17 3.237 -0.260 25.491 131 H ALA 18 HN ALA 18 5.162 3.827 23.877 132 HA ALA 18 HA ALA 18 5.723 5.722 26.020 133 1HB ALA 18 HB1 ALA 18 8.119 5.706 25.600 134 2HB ALA 18 HB2 ALA 18 7.917 4.441 24.388 135 3HB ALA 18 HB3 ALA 18 7.573 4.100 26.084 136 H LEU 19 HN LEU 19 6.979 7.644 25.090 137 HA LEU 19 HA LEU 19 5.652 8.515 22.676 138 1HB LEU 19 HB2 LEU 19 7.571 9.817 24.589 139 2HB LEU 19 HB1 LEU 19 7.156 10.581 23.069 140 HG LEU 19 HG LEU 19 4.756 10.549 23.776 141 1HD1 LEU 19 HD11 LEU 19 5.896 9.734 26.443 142 2HD1 LEU 19 HD12 LEU 19 4.874 8.736 25.407 143 3HD1 LEU 19 HD13 LEU 19 4.228 10.212 26.126 144 1HD2 LEU 19 HD21 LEU 19 4.971 12.422 25.315 145 2HD2 LEU 19 HD22 LEU 19 6.150 12.540 24.007 146 3HD2 LEU 19 HD23 LEU 19 6.658 11.999 25.607 147 H GLY 20 HN GLY 20 8.956 7.817 23.690 148 1HA GLY 20 HA2 GLY 20 9.725 7.723 20.843 149 2HA GLY 20 HA1 GLY 20 10.831 8.168 22.138 150 H CYS 21 HN CYS 21 12.330 6.556 21.799 151 HA CYS 21 HA CYS 21 11.557 3.814 21.542 152 1HB CYS 21 HB2 CYS 21 14.212 5.173 21.944 153 2HB CYS 21 HB1 CYS 21 14.054 3.419 21.932 154 HG CYS 21 HG CYS 21 13.435 5.569 19.354 155 H GLU 22 HN GLU 22 10.629 2.835 23.169 156 HA GLU 22 HA GLU 22 10.705 3.306 25.855 157 1HB GLU 22 HB2 GLU 22 9.149 1.757 24.917 158 2HB GLU 22 HB1 GLU 22 10.437 0.727 24.315 159 1HG GLU 22 HG2 GLU 22 11.001 0.051 26.554 160 2HG GLU 22 HG1 GLU 22 9.818 1.177 27.223 161 H GLU 23 HN GLU 23 13.108 1.681 23.924 162 HA GLU 23 HA GLU 23 14.559 0.598 26.148 163 1HB GLU 23 HB2 GLU 23 14.499 -0.357 23.803 164 2HB GLU 23 HB1 GLU 23 15.539 0.975 23.318 165 1HG GLU 23 HG2 GLU 23 16.826 -1.034 23.711 166 2HG GLU 23 HG1 GLU 23 17.250 0.220 24.875 167 H CYS 24 HN CYS 24 15.482 3.023 23.687 168 HA CYS 24 HA CYS 24 17.776 3.942 24.929 169 1HB CYS 24 HB2 CYS 24 15.900 5.458 23.109 170 2HB CYS 24 HB1 CYS 24 17.552 5.934 23.488 171 HG CYS 24 HG CYS 24 18.198 4.905 21.196 172 H LEU 25 HN LEU 25 14.448 4.820 25.588 173 HA LEU 25 HA LEU 25 14.930 7.306 26.834 174 1HB LEU 25 HB2 LEU 25 12.673 5.336 27.102 175 2HB LEU 25 HB1 LEU 25 12.693 6.873 27.946 176 HG LEU 25 HG LEU 25 12.763 6.544 24.945 177 1HD1 LEU 25 HD11 LEU 25 10.618 5.869 25.881 178 2HD1 LEU 25 HD12 LEU 25 10.476 7.395 25.009 179 3HD1 LEU 25 HD13 LEU 25 10.518 7.388 26.772 180 1HD2 LEU 25 HD21 LEU 25 12.385 8.955 24.905 181 2HD2 LEU 25 HD22 LEU 25 13.900 8.561 25.717 182 3HD2 LEU 25 HD23 LEU 25 12.481 9.005 26.666 183 H LYS 26 HN LYS 26 15.589 4.136 27.912 184 HA LYS 26 HA LYS 26 15.258 4.530 30.702 185 1HB LYS 26 HB2 LYS 26 16.275 2.445 30.978 186 2HB LYS 26 HB1 LYS 26 15.542 2.323 29.386 187 1HG LYS 26 HG2 LYS 26 17.875 3.098 28.542 188 2HG LYS 26 HG1 LYS 26 18.422 2.565 30.131 189 1HD LYS 26 HD2 LYS 26 17.045 0.921 28.017 190 2HD LYS 26 HD1 LYS 26 18.705 0.757 28.588 191 1HE LYS 26 HE2 LYS 26 17.917 0.057 30.767 192 2HE LYS 26 HE1 LYS 26 16.245 0.314 30.272 193 1HZ LYS 26 HZ1 LYS 26 18.133 -1.764 29.344 194 2HZ LYS 26 HZ2 LYS 26 16.753 -1.360 28.447 195 3HZ LYS 26 HZ3 LYS 26 16.591 -1.962 30.027 196 H ILE 27 HN ILE 27 17.694 5.461 28.443 197 HA ILE 27 HA ILE 27 19.369 6.449 30.654 198 HB ILE 27 HB ILE 27 21.347 6.094 29.120 199 1HG1 ILE 27 HG12 ILE 27 19.302 4.435 27.626 200 2HG1 ILE 27 HG11 ILE 27 20.209 5.807 27.006 201 1HG2 ILE 27 HG21 ILE 27 19.869 3.635 30.048 202 2HG2 ILE 27 HG22 ILE 27 20.890 4.666 31.051 203 3HG2 ILE 27 HG23 ILE 27 21.599 3.746 29.724 204 1HD1 ILE 27 HD11 ILE 27 22.270 4.531 27.163 205 2HD1 ILE 27 HD12 ILE 27 21.078 3.693 26.170 206 3HD1 ILE 27 HD13 ILE 27 21.380 3.159 27.823 207 H GLY 28 HN GLY 28 17.369 7.400 28.332 208 1HA GLY 28 HA2 GLY 28 16.966 9.446 27.370 209 2HA GLY 28 HA1 GLY 28 18.304 10.078 28.315 210 H SER 29 HN SER 29 18.709 7.420 26.098 211 HA SER 29 HA SER 29 20.647 9.001 24.625 212 1HB SER 29 HB2 SER 29 19.978 6.053 24.594 213 2HB SER 29 HB1 SER 29 21.223 6.790 23.587 214 HG SER 29 HG SER 29 21.741 7.668 25.965 215 HA PRO 30 HA PRO 30 18.238 9.731 21.026 216 1HB PRO 30 HB2 PRO 30 20.536 9.070 19.322 217 2HB PRO 30 HB1 PRO 30 19.735 10.623 19.570 218 1HG PRO 30 HG2 PRO 30 22.194 10.132 20.529 219 2HG PRO 30 HG1 PRO 30 21.034 11.150 21.403 220 1HD PRO 30 HD2 PRO 30 21.765 8.280 21.873 221 2HD PRO 30 HD1 PRO 30 21.525 9.588 23.054 222 H TRP 31 HN TRP 31 17.731 8.860 18.800 223 HA TRP 31 HA TRP 31 18.181 6.029 18.419 224 1HB TRP 31 HB2 TRP 31 15.728 5.584 18.141 225 2HB TRP 31 HB1 TRP 31 16.234 5.885 19.797 226 HD1 TRP 31 HD1 TRP 31 14.467 7.754 16.885 227 HE1 TRP 31 HE1 TRP 31 12.856 9.472 17.920 228 HE3 TRP 31 HE3 TRP 31 15.641 7.109 21.823 229 HZ2 TRP 31 HZ2 TRP 31 12.165 10.422 20.485 230 HZ3 TRP 31 HZ3 TRP 31 14.456 8.460 23.501 231 HH2 TRP 31 HH2 TRP 31 12.754 10.083 22.843 232 H VAL 32 HN VAL 32 17.375 5.296 16.309 233 HA VAL 32 HA VAL 32 17.650 7.455 14.359 234 HB VAL 32 HB VAL 32 17.671 4.465 13.903 235 1HG1 VAL 32 HG11 VAL 32 18.668 5.062 11.726 236 2HG1 VAL 32 HG12 VAL 32 18.397 6.766 12.092 237 3HG1 VAL 32 HG13 VAL 32 17.025 5.674 11.910 238 1HG2 VAL 32 HG21 VAL 32 19.550 5.142 15.285 239 2HG2 VAL 32 HG22 VAL 32 19.959 6.418 14.139 240 3HG2 VAL 32 HG23 VAL 32 20.104 4.726 13.664 241 H HIS 33 HN HIS 33 15.583 4.577 14.822 242 HA HIS 33 HA HIS 33 13.362 6.094 13.663 243 1HB HIS 33 HB2 HIS 33 14.306 3.373 12.784 244 2HB HIS 33 HB1 HIS 33 12.651 3.909 12.521 245 HD1 HIS 33 HD1 HIS 33 15.590 3.586 10.700 246 HD2 HIS 33 HD2 HIS 33 12.888 6.717 11.197 247 HE1 HIS 33 HE1 HIS 33 15.908 5.093 8.704 248 HE2 HIS 33 HE2 HIS 33 14.100 6.843 8.919 249 H LEU 34 HN LEU 34 11.299 5.373 14.211 250 HA LEU 34 HA LEU 34 11.195 3.788 16.704 251 1HB LEU 34 HB2 LEU 34 9.328 5.947 15.706 252 2HB LEU 34 HB1 LEU 34 9.128 5.043 17.194 253 HG LEU 34 HG LEU 34 11.475 6.854 16.639 254 1HD1 LEU 34 HD11 LEU 34 9.432 8.162 16.693 255 2HD1 LEU 34 HD12 LEU 34 10.367 8.423 18.165 256 3HD1 LEU 34 HD13 LEU 34 8.948 7.377 18.196 257 1HD2 LEU 34 HD21 LEU 34 10.452 5.576 19.167 258 2HD2 LEU 34 HD22 LEU 34 11.827 6.675 19.042 259 3HD2 LEU 34 HD23 LEU 34 11.891 5.090 18.271 260 H ARG 35 HN ARG 35 9.971 1.967 16.671 261 HA ARG 35 HA ARG 35 7.848 1.781 14.691 262 1HB ARG 35 HB2 ARG 35 8.583 -0.618 14.206 263 2HB ARG 35 HB1 ARG 35 9.471 0.690 13.442 264 1HG ARG 35 HG2 ARG 35 11.332 -0.208 14.216 265 2HG ARG 35 HG1 ARG 35 10.798 0.196 15.848 266 1HD ARG 35 HD2 ARG 35 9.955 -2.319 14.442 267 2HD ARG 35 HD1 ARG 35 11.420 -2.218 15.407 268 HE ARG 35 HE ARG 35 9.234 -1.278 16.912 269 1HH1 ARG 35 HH11 ARG 35 10.551 -4.251 15.604 270 2HH1 ARG 35 HH12 ARG 35 9.885 -5.247 16.861 271 1HH2 ARG 35 HH21 ARG 35 8.353 -2.577 18.569 272 2HH2 ARG 35 HH22 ARG 35 8.625 -4.288 18.551 273 H ILE 36 HN ILE 36 6.089 0.779 15.331 274 HA ILE 36 HA ILE 36 6.105 -0.438 18.025 275 HB ILE 36 HB ILE 36 5.036 1.728 18.107 276 1HG1 ILE 36 HG12 ILE 36 2.966 -0.477 18.077 277 2HG1 ILE 36 HG11 ILE 36 3.980 -0.022 19.443 278 1HG2 ILE 36 HG21 ILE 36 3.125 2.320 16.713 279 2HG2 ILE 36 HG22 ILE 36 3.268 0.786 15.856 280 3HG2 ILE 36 HG23 ILE 36 4.553 1.988 15.733 281 1HD1 ILE 36 HD11 ILE 36 1.730 0.851 19.686 282 2HD1 ILE 36 HD12 ILE 36 1.881 1.703 18.150 283 3HD1 ILE 36 HD13 ILE 36 2.895 2.164 19.518 284 H CYS 37 HN CYS 37 4.949 -2.361 18.279 285 HA CYS 37 HA CYS 37 4.208 -3.810 15.913 286 1HB CYS 37 HB2 CYS 37 3.314 -4.486 18.709 287 2HB CYS 37 HB1 CYS 37 3.456 -5.569 17.337 288 H ARG 38 HN ARG 38 2.169 -4.164 15.086 289 HA ARG 38 HA ARG 38 -0.021 -2.555 16.081 290 1HB ARG 38 HB2 ARG 38 0.147 -4.601 13.860 291 2HB ARG 38 HB1 ARG 38 -1.288 -3.655 14.226 292 1HG ARG 38 HG2 ARG 38 1.371 -2.499 13.415 293 2HG ARG 38 HG1 ARG 38 0.001 -2.762 12.332 294 1HD ARG 38 HD2 ARG 38 0.065 -0.961 14.751 295 2HD ARG 38 HD1 ARG 38 0.060 -0.451 13.062 296 HE ARG 38 HE ARG 38 -2.189 -2.027 14.096 297 1HH1 ARG 38 HH11 ARG 38 -0.935 1.012 12.885 298 2HH1 ARG 38 HH12 ARG 38 -2.521 1.674 12.592 299 1HH2 ARG 38 HH21 ARG 38 -4.260 -1.136 13.702 300 2HH2 ARG 38 HH22 ARG 38 -4.390 0.467 13.059 301 H THR 39 HN THR 39 0.932 -4.361 18.004 302 HA THR 39 HA THR 39 -1.300 -6.228 18.304 303 HB THR 39 HB THR 39 1.468 -7.206 18.919 304 HG1 THR 39 HG1 THR 39 0.257 -7.819 16.446 305 1HG2 THR 39 HG21 THR 39 -1.098 -8.588 18.125 306 2HG2 THR 39 HG22 THR 39 -0.447 -8.471 19.760 307 3HG2 THR 39 HG23 THR 39 0.419 -9.391 18.529 308 H CYS 40 HN CYS 40 1.782 -5.361 19.930 309 HA CYS 40 HA CYS 40 0.359 -5.532 22.487 310 1HB CYS 40 HB2 CYS 40 2.449 -5.973 23.537 311 2HB CYS 40 HB1 CYS 40 2.429 -6.935 22.063 312 H GLY 41 HN GLY 41 1.648 -3.216 20.354 313 1HA GLY 41 HA2 GLY 41 1.433 -0.916 20.539 314 2HA GLY 41 HA1 GLY 41 0.983 -1.123 22.221 315 H HIS 42 HN HIS 42 3.814 -2.797 21.862 316 HA HIS 42 HA HIS 42 5.232 -0.757 23.297 317 1HB HIS 42 HB2 HIS 42 5.857 -3.573 22.524 318 2HB HIS 42 HB1 HIS 42 7.180 -2.510 22.988 319 HD1 HIS 42 HD1 HIS 42 7.610 -2.248 25.442 320 HD2 HIS 42 HD2 HIS 42 3.845 -3.853 24.644 321 HE1 HIS 42 HE1 HIS 42 6.678 -2.960 27.667 322 HE2 HIS 42 HE2 HIS 42 4.441 -4.001 27.158 323 H VAL 43 HN VAL 43 6.299 0.829 22.453 324 HA VAL 43 HA VAL 43 7.140 0.789 19.674 325 HB VAL 43 HB VAL 43 7.460 2.990 21.726 326 1HG1 VAL 43 HG11 VAL 43 7.657 3.027 18.717 327 2HG1 VAL 43 HG12 VAL 43 8.989 3.212 19.856 328 3HG1 VAL 43 HG13 VAL 43 7.732 4.444 19.764 329 1HG2 VAL 43 HG21 VAL 43 5.296 2.606 19.660 330 2HG2 VAL 43 HG22 VAL 43 5.496 4.021 20.693 331 3HG2 VAL 43 HG23 VAL 43 5.104 2.457 21.408 332 H GLY 44 HN GLY 44 9.134 0.239 19.066 333 1HA GLY 44 HA2 GLY 44 11.253 0.294 21.122 334 2HA GLY 44 HA1 GLY 44 11.053 -1.072 20.034 335 H CYS 45 HN CYS 45 13.431 0.391 20.288 336 HA CYS 45 HA CYS 45 13.690 2.261 18.154 337 1HB CYS 45 HB2 CYS 45 16.119 2.025 18.552 338 2HB CYS 45 HB1 CYS 45 15.242 2.300 20.054 339 HG CYS 45 HG CYS 45 16.242 -0.788 18.989 340 H CYS 46 HN CYS 46 13.977 1.868 16.067 341 HA CYS 46 HA CYS 46 13.704 -0.653 14.917 342 1HB CYS 46 HB2 CYS 46 13.305 1.520 13.771 343 2HB CYS 46 HB1 CYS 46 15.043 1.783 13.718 344 HG CYS 46 HG CYS 46 15.178 0.844 11.345 345 H ASP 47 HN ASP 47 15.312 -1.796 13.553 346 HA ASP 47 HA ASP 47 17.542 -2.538 15.126 347 1HB ASP 47 HB2 ASP 47 18.141 -3.994 13.211 348 2HB ASP 47 HB1 ASP 47 16.459 -4.164 13.698 349 H ASP 48 HN ASP 48 17.147 0.091 13.130 350 HA ASP 48 HA ASP 48 19.725 0.433 12.047 351 1HB ASP 48 HB2 ASP 48 17.828 2.571 13.054 352 2HB ASP 48 HB1 ASP 48 19.193 2.828 11.977 353 H SER 49 HN SER 49 18.353 1.010 15.218 354 HA SER 49 HA SER 49 20.722 2.396 16.170 355 1HB SER 49 HB2 SER 49 18.204 1.576 17.646 356 2HB SER 49 HB1 SER 49 19.453 2.668 18.248 357 HG SER 49 HG SER 49 18.780 3.637 15.935 358 HA PRO 50 HA PRO 50 23.024 -1.025 17.518 359 1HB PRO 50 HB2 PRO 50 23.980 -0.127 19.950 360 2HB PRO 50 HB1 PRO 50 24.654 0.301 18.374 361 1HG PRO 50 HG2 PRO 50 22.750 1.829 20.100 362 2HG PRO 50 HG1 PRO 50 24.128 2.420 19.153 363 1HD PRO 50 HD2 PRO 50 21.619 2.721 18.281 364 2HD PRO 50 HD1 PRO 50 22.943 2.350 17.156 365 H HIS 51 HN HIS 51 20.669 0.205 19.818 366 HA HIS 51 HA HIS 51 20.800 -1.892 21.694 367 1HB HIS 51 HB2 HIS 51 18.426 -0.176 20.926 368 2HB HIS 51 HB1 HIS 51 18.486 -1.232 22.329 369 HD1 HIS 51 HD1 HIS 51 19.266 -0.171 24.453 370 HD2 HIS 51 HD2 HIS 51 20.430 1.984 21.089 371 HE1 HIS 51 HE1 HIS 51 20.185 1.996 25.318 372 HE2 HIS 51 HE2 HIS 51 21.142 3.148 23.286 373 H LYS 52 HN LYS 52 18.962 -1.467 18.728 374 HA LYS 52 HA LYS 52 17.552 -2.781 17.543 375 1HB LYS 52 HB2 LYS 52 19.576 -4.824 18.442 376 2HB LYS 52 HB1 LYS 52 18.335 -5.150 17.241 377 1HG LYS 52 HG2 LYS 52 19.274 -3.149 15.973 378 2HG LYS 52 HG1 LYS 52 20.660 -3.270 17.058 379 1HD LYS 52 HD2 LYS 52 21.046 -5.561 16.337 380 2HD LYS 52 HD1 LYS 52 19.622 -5.489 15.297 381 1HE LYS 52 HE2 LYS 52 20.702 -3.615 14.063 382 2HE LYS 52 HE1 LYS 52 22.152 -3.872 15.032 383 1HZ LYS 52 HZ1 LYS 52 22.244 -6.152 14.163 384 2HZ LYS 52 HZ2 LYS 52 22.364 -4.990 12.933 385 3HZ LYS 52 HZ3 LYS 52 20.908 -5.823 13.172 386 H HIS 53 HN HIS 53 16.680 -2.334 20.219 387 HA HIS 53 HA HIS 53 15.698 -4.635 21.472 388 1HB HIS 53 HB2 HIS 53 15.705 -2.331 22.465 389 2HB HIS 53 HB1 HIS 53 14.356 -1.920 21.414 390 HD1 HIS 53 HD1 HIS 53 12.562 -1.608 23.168 391 HD2 HIS 53 HD2 HIS 53 14.546 -5.235 23.550 392 HE1 HIS 53 HE1 HIS 53 11.287 -2.887 24.910 393 HE2 HIS 53 HE2 HIS 53 12.640 -4.980 25.283 394 H ALA 54 HN ALA 54 14.786 -3.140 18.544 395 HA ALA 54 HA ALA 54 12.088 -3.945 18.361 396 1HB ALA 54 HB1 ALA 54 12.463 -3.667 15.908 397 2HB ALA 54 HB2 ALA 54 14.162 -3.354 16.263 398 3HB ALA 54 HB3 ALA 54 12.916 -2.270 16.886 399 H THR 55 HN THR 55 15.097 -5.465 17.214 400 HA THR 55 HA THR 55 13.693 -7.696 16.074 401 HB THR 55 HB THR 55 16.052 -8.597 15.760 402 HG1 THR 55 HG1 THR 55 17.697 -7.445 16.490 403 1HG2 THR 55 HG21 THR 55 15.403 -5.868 14.639 404 2HG2 THR 55 HG22 THR 55 14.868 -7.415 13.980 405 3HG2 THR 55 HG23 THR 55 16.582 -6.997 13.972 406 H ARG 56 HN ARG 56 15.659 -7.090 18.929 407 HA ARG 56 HA ARG 56 15.745 -9.701 19.950 408 1HB ARG 56 HB2 ARG 56 15.666 -7.099 21.495 409 2HB ARG 56 HB1 ARG 56 16.270 -8.642 22.088 410 1HG ARG 56 HG2 ARG 56 18.140 -8.581 20.677 411 2HG ARG 56 HG1 ARG 56 17.444 -7.311 19.671 412 1HD ARG 56 HD2 ARG 56 19.107 -6.279 20.990 413 2HD ARG 56 HD1 ARG 56 17.558 -5.810 21.685 414 HE ARG 56 HE ARG 56 18.199 -7.940 23.177 415 1HH1 ARG 56 HH11 ARG 56 19.988 -5.086 22.242 416 2HH1 ARG 56 HH12 ARG 56 21.025 -5.111 23.640 417 1HH2 ARG 56 HH21 ARG 56 19.551 -7.992 25.012 418 2HH2 ARG 56 HH22 ARG 56 20.774 -6.776 25.223 419 H HIS 57 HN HIS 57 13.350 -7.144 20.240 420 HA HIS 57 HA HIS 57 11.649 -8.516 22.059 421 1HB HIS 57 HB2 HIS 57 11.513 -6.126 21.894 422 2HB HIS 57 HB1 HIS 57 11.193 -6.207 20.169 423 HD1 HIS 57 HD1 HIS 57 9.487 -7.016 23.483 424 HD2 HIS 57 HD2 HIS 57 8.605 -6.303 19.477 425 HE1 HIS 57 HE1 HIS 57 6.966 -6.803 23.325 426 H PHE 58 HN PHE 58 11.781 -8.269 18.525 427 HA PHE 58 HA PHE 58 9.418 -9.714 17.983 428 1HB PHE 58 HB2 PHE 58 10.388 -8.460 16.203 429 2HB PHE 58 HB1 PHE 58 11.936 -9.278 16.376 430 HD1 PHE 58 HD1 PHE 58 8.414 -10.485 16.006 431 HD2 PHE 58 HD2 PHE 58 12.394 -10.528 14.524 432 HE1 PHE 58 HE1 PHE 58 7.755 -12.121 14.293 433 HE2 PHE 58 HE2 PHE 58 11.748 -12.164 12.808 434 HZ PHE 58 HZ PHE 58 9.423 -12.965 12.691 435 H HIS 59 HN HIS 59 12.752 -10.704 18.504 436 HA HIS 59 HA HIS 59 12.507 -13.429 17.901 437 1HB HIS 59 HB2 HIS 59 14.641 -12.156 18.264 438 2HB HIS 59 HB1 HIS 59 14.306 -12.173 19.989 439 HD1 HIS 59 HD1 HIS 59 14.639 -14.430 21.246 440 HD2 HIS 59 HD2 HIS 59 15.595 -14.548 17.194 441 HE1 HIS 59 HE1 HIS 59 15.945 -16.553 20.913 442 HE2 HIS 59 HE2 HIS 59 16.497 -16.621 18.458 443 H ALA 60 HN ALA 60 11.627 -11.601 20.742 444 HA ALA 60 HA ALA 60 11.297 -14.005 22.348 445 1HB ALA 60 HB1 ALA 60 12.381 -12.044 23.324 446 2HB ALA 60 HB2 ALA 60 10.918 -12.493 24.201 447 3HB ALA 60 HB3 ALA 60 10.898 -11.117 23.097 448 H THR 61 HN THR 61 9.260 -11.334 21.138 449 HA THR 61 HA THR 61 6.931 -12.642 22.333 450 HB THR 61 HB THR 61 5.723 -10.535 21.738 451 HG1 THR 61 HG1 THR 61 8.350 -9.725 20.961 452 1HG2 THR 61 HG21 THR 61 6.691 -10.870 23.964 453 2HG2 THR 61 HG22 THR 61 6.780 -9.177 23.476 454 3HG2 THR 61 HG23 THR 61 8.220 -10.194 23.402 455 H GLY 62 HN GLY 62 8.442 -12.387 19.309 456 1HA GLY 62 HA2 GLY 62 7.824 -13.125 17.225 457 2HA GLY 62 HA1 GLY 62 6.485 -13.948 18.010 458 H HIS 63 HN HIS 63 7.260 -10.488 17.699 459 HA HIS 63 HA HIS 63 4.622 -10.128 16.436 460 1HB HIS 63 HB2 HIS 63 6.255 -8.172 18.074 461 2HB HIS 63 HB1 HIS 63 4.784 -7.746 17.206 462 HD2 HIS 63 HD2 HIS 63 3.363 -10.709 18.245 463 HE1 HIS 63 HE1 HIS 63 3.512 -8.640 21.928 464 HE2 HIS 63 HE2 HIS 63 2.352 -10.480 20.620 465 HA PRO 64 HA PRO 64 7.649 -9.423 13.154 466 1HB PRO 64 HB2 PRO 64 6.169 -10.345 11.122 467 2HB PRO 64 HB1 PRO 64 6.902 -11.435 12.306 468 1HG PRO 64 HG2 PRO 64 4.081 -10.449 12.132 469 2HG PRO 64 HG1 PRO 64 4.674 -12.081 12.488 470 1HD PRO 64 HD2 PRO 64 3.854 -10.291 14.399 471 2HD PRO 64 HD1 PRO 64 5.011 -11.602 14.698 472 H ILE 65 HN ILE 65 4.408 -8.119 13.372 473 HA ILE 65 HA ILE 65 4.939 -6.351 11.104 474 HB ILE 65 HB ILE 65 2.370 -6.862 12.600 475 1HG1 ILE 65 HG12 ILE 65 3.246 -7.494 9.772 476 2HG1 ILE 65 HG11 ILE 65 3.098 -8.660 11.082 477 1HG2 ILE 65 HG21 ILE 65 2.905 -5.007 10.275 478 2HG2 ILE 65 HG22 ILE 65 2.445 -4.532 11.910 479 3HG2 ILE 65 HG23 ILE 65 1.308 -5.424 10.899 480 1HD1 ILE 65 HD11 ILE 65 0.856 -7.078 9.849 481 2HD1 ILE 65 HD12 ILE 65 0.692 -8.230 11.175 482 3HD1 ILE 65 HD13 ILE 65 1.204 -8.786 9.581 483 H ILE 66 HN ILE 66 5.626 -4.426 11.366 484 HA ILE 66 HA ILE 66 5.111 -2.998 13.887 485 HB ILE 66 HB ILE 66 7.344 -1.952 13.659 486 1HG1 ILE 66 HG12 ILE 66 7.785 -4.036 11.504 487 2HG1 ILE 66 HG11 ILE 66 7.578 -2.313 11.210 488 1HG2 ILE 66 HG21 ILE 66 7.360 -4.963 13.812 489 2HG2 ILE 66 HG22 ILE 66 7.039 -3.850 15.142 490 3HG2 ILE 66 HG23 ILE 66 8.638 -3.900 14.401 491 1HD1 ILE 66 HD11 ILE 66 9.828 -3.592 12.746 492 2HD1 ILE 66 HD12 ILE 66 9.623 -1.863 12.468 493 3HD1 ILE 66 HD13 ILE 66 9.913 -2.946 11.107 494 H GLU 67 HN GLU 67 4.678 -0.831 13.702 495 HA GLU 67 HA GLU 67 4.338 0.187 10.964 496 1HB GLU 67 HB2 GLU 67 2.277 0.038 12.328 497 2HB GLU 67 HB1 GLU 67 3.009 1.088 13.531 498 1HG GLU 67 HG2 GLU 67 3.100 2.902 11.913 499 2HG GLU 67 HG1 GLU 67 2.404 1.848 10.682 500 H GLY 68 HN GLY 68 5.165 2.200 10.423 501 1HA GLY 68 HA2 GLY 68 7.490 3.062 11.815 502 2HA GLY 68 HA1 GLY 68 6.724 3.891 10.467 503 H TYR 69 HN TYR 69 7.448 4.061 13.708 504 HA TYR 69 HA TYR 69 5.072 5.575 14.443 505 1HB TYR 69 HB2 TYR 69 6.053 3.802 15.938 506 2HB TYR 69 HB1 TYR 69 7.435 4.863 16.185 507 HD1 TYR 69 HD1 TYR 69 7.417 6.067 18.145 508 HD2 TYR 69 HD2 TYR 69 3.706 5.125 16.293 509 HE1 TYR 69 HE1 TYR 69 6.224 7.180 19.982 510 HE2 TYR 69 HE2 TYR 69 2.503 6.235 18.126 511 HH TYR 69 HH TYR 69 4.204 8.053 20.599 512 H ASP 70 HN ASP 70 8.452 6.098 13.683 513 HA ASP 70 HA ASP 70 8.303 8.830 14.618 514 1HB ASP 70 HB2 ASP 70 10.602 9.117 13.961 515 2HB ASP 70 HB1 ASP 70 10.440 7.611 14.846 516 HA PRO 71 HA PRO 71 7.455 9.782 10.145 517 1HB PRO 71 HB2 PRO 71 7.694 7.914 8.196 518 2HB PRO 71 HB1 PRO 71 9.084 8.801 8.829 519 1HG PRO 71 HG2 PRO 71 8.441 5.985 9.118 520 2HG PRO 71 HG1 PRO 71 9.923 6.835 9.579 521 1HD PRO 71 HD2 PRO 71 7.593 6.097 11.235 522 2HD PRO 71 HD1 PRO 71 9.254 6.487 11.733 523 HA PRO 72 HA PRO 72 3.515 7.501 10.930 524 1HB PRO 72 HB2 PRO 72 2.225 10.065 11.278 525 2HB PRO 72 HB1 PRO 72 2.509 8.802 12.476 526 1HG PRO 72 HG2 PRO 72 3.756 11.238 12.507 527 2HG PRO 72 HG1 PRO 72 4.441 9.767 13.220 528 1HD PRO 72 HD2 PRO 72 5.049 11.064 10.591 529 2HD PRO 72 HD1 PRO 72 6.154 10.299 11.754 530 H GLU 73 HN GLU 73 3.809 7.124 8.564 531 HA GLU 73 HA GLU 73 1.956 8.799 7.004 532 1HB GLU 73 HB2 GLU 73 4.081 6.886 6.015 533 2HB GLU 73 HB1 GLU 73 3.035 7.871 5.001 534 1HG GLU 73 HG2 GLU 73 4.025 9.884 6.161 535 2HG GLU 73 HG1 GLU 73 5.220 8.783 6.844 536 H GLY 74 HN GLY 74 1.998 6.077 8.773 537 1HA GLY 74 HA2 GLY 74 0.469 4.371 8.974 538 2HA GLY 74 HA1 GLY 74 -0.402 5.060 7.612 539 H TRP 75 HN TRP 75 2.502 3.196 8.406 540 HA TRP 75 HA TRP 75 1.948 1.485 6.119 541 1HB TRP 75 HB2 TRP 75 4.362 1.522 5.454 542 2HB TRP 75 HB1 TRP 75 3.511 3.033 5.159 543 HD1 TRP 75 HD1 TRP 75 4.122 5.113 6.801 544 HE1 TRP 75 HE1 TRP 75 6.281 5.643 8.098 545 HE3 TRP 75 HE3 TRP 75 6.280 0.478 6.701 546 HZ2 TRP 75 HZ2 TRP 75 8.598 4.274 8.954 547 HZ3 TRP 75 HZ3 TRP 75 8.470 0.173 7.781 548 HH2 TRP 75 HH2 TRP 75 9.604 2.033 8.884 549 H GLY 76 HN GLY 76 2.618 -0.610 6.365 550 1HA GLY 76 HA2 GLY 76 3.626 -1.252 9.067 551 2HA GLY 76 HA1 GLY 76 2.415 -2.212 8.229 552 H TRP 77 HN TRP 77 5.404 -2.380 9.212 553 HA TRP 77 HA TRP 77 6.431 -3.733 6.807 554 1HB TRP 77 HB2 TRP 77 7.930 -2.010 7.676 555 2HB TRP 77 HB1 TRP 77 7.875 -2.733 9.279 556 HD1 TRP 77 HD1 TRP 77 9.481 -4.759 9.761 557 HE1 TRP 77 HE1 TRP 77 11.398 -5.854 8.436 558 HE3 TRP 77 HE3 TRP 77 8.658 -2.595 5.200 559 HZ2 TRP 77 HZ2 TRP 77 12.426 -5.802 5.811 560 HZ3 TRP 77 HZ3 TRP 77 10.156 -3.172 3.337 561 HH2 TRP 77 HH2 TRP 77 12.001 -4.742 3.637 562 H CYS 78 HN CYS 78 6.844 -5.899 6.875 563 HA CYS 78 HA CYS 78 6.243 -7.254 9.427 564 1HB CYS 78 HB2 CYS 78 4.647 -7.495 7.370 565 2HB CYS 78 HB1 CYS 78 5.888 -8.570 6.754 566 H TYR 79 HN TYR 79 8.040 -8.039 10.287 567 HA TYR 79 HA TYR 79 10.539 -7.923 9.200 568 1HB TYR 79 HB2 TYR 79 9.438 -9.614 11.414 569 2HB TYR 79 HB1 TYR 79 11.127 -9.759 10.939 570 HD1 TYR 79 HD1 TYR 79 12.321 -7.361 10.665 571 HD2 TYR 79 HD2 TYR 79 8.990 -8.188 13.183 572 HE1 TYR 79 HE1 TYR 79 12.906 -5.426 12.062 573 HE2 TYR 79 HE2 TYR 79 9.564 -6.249 14.583 574 HH TYR 79 HH TYR 79 12.040 -3.966 13.636 575 H VAL 80 HN VAL 80 8.881 -11.074 9.607 576 HA VAL 80 HA VAL 80 10.889 -12.442 8.161 577 HB VAL 80 HB VAL 80 9.317 -14.384 8.197 578 1HG1 VAL 80 HG11 VAL 80 9.380 -14.651 10.642 579 2HG1 VAL 80 HG12 VAL 80 9.772 -12.939 10.804 580 3HG1 VAL 80 HG13 VAL 80 10.899 -14.030 9.996 581 1HG2 VAL 80 HG21 VAL 80 7.518 -12.457 9.666 582 2HG2 VAL 80 HG22 VAL 80 7.258 -14.195 9.508 583 3HG2 VAL 80 HG23 VAL 80 7.209 -13.161 8.079 584 H ASP 81 HN ASP 81 8.100 -10.746 7.112 585 HA ASP 81 HA ASP 81 7.857 -12.151 4.590 586 1HB ASP 81 HB2 ASP 81 6.587 -9.539 5.433 587 2HB ASP 81 HB1 ASP 81 6.135 -10.514 4.046 588 H GLU 82 HN GLU 82 9.184 -9.176 5.849 589 HA GLU 82 HA GLU 82 10.615 -7.627 5.037 590 1HB GLU 82 HB2 GLU 82 11.048 -9.587 2.775 591 2HB GLU 82 HB1 GLU 82 12.029 -8.160 3.084 592 1HG GLU 82 HG2 GLU 82 12.667 -9.092 5.264 593 2HG GLU 82 HG1 GLU 82 11.718 -10.534 4.908 594 H VAL 83 HN VAL 83 7.752 -7.837 4.256 595 HA VAL 83 HA VAL 83 7.829 -6.125 1.867 596 HB VAL 83 HB VAL 83 5.497 -6.670 1.470 597 1HG1 VAL 83 HG11 VAL 83 7.195 -9.121 1.907 598 2HG1 VAL 83 HG12 VAL 83 7.120 -8.129 0.449 599 3HG1 VAL 83 HG13 VAL 83 5.716 -9.072 0.949 600 1HG2 VAL 83 HG21 VAL 83 4.320 -8.369 2.802 601 2HG2 VAL 83 HG22 VAL 83 4.730 -6.945 3.759 602 3HG2 VAL 83 HG23 VAL 83 5.682 -8.421 3.921 603 H MET 84 HN MET 84 6.612 -4.214 1.856 604 HA MET 84 HA MET 84 5.719 -3.276 4.502 605 1HB MET 84 HB2 MET 84 7.794 -2.152 3.647 606 2HB MET 84 HB1 MET 84 6.857 -1.566 2.280 607 1HG MET 84 HG2 MET 84 5.359 -0.404 3.874 608 2HG MET 84 HG1 MET 84 6.434 -0.900 5.180 609 1HE MET 84 HE1 MET 84 5.837 1.502 2.189 610 2HE MET 84 HE2 MET 84 7.049 0.420 1.502 611 3HE MET 84 HE3 MET 84 7.458 2.103 1.837 612 H PHE 85 HN PHE 85 3.622 -2.882 4.602 613 HA PHE 85 HA PHE 85 2.186 -2.380 2.082 614 1HB PHE 85 HB2 PHE 85 0.199 -3.411 3.263 615 2HB PHE 85 HB1 PHE 85 1.505 -4.515 2.855 616 HD1 PHE 85 HD1 PHE 85 -0.286 -2.841 5.562 617 HD2 PHE 85 HD2 PHE 85 2.853 -5.539 4.574 618 HE1 PHE 85 HE1 PHE 85 -0.211 -3.606 7.897 619 HE2 PHE 85 HE2 PHE 85 2.936 -6.305 6.909 620 HZ PHE 85 HZ PHE 85 1.402 -5.339 8.575 621 H ASP 86 HN ASP 86 0.006 -1.274 2.496 622 HA ASP 86 HA ASP 86 0.652 1.165 3.949 623 1HB ASP 86 HB2 ASP 86 -0.149 1.364 1.636 624 2HB ASP 86 HB1 ASP 86 -1.646 0.547 2.076 625 H LEU 87 HN LEU 87 -0.364 1.897 5.704 626 HA LEU 87 HA LEU 87 -2.793 0.526 6.640 627 1HB LEU 87 HB2 LEU 87 -0.302 1.126 8.227 628 2HB LEU 87 HB1 LEU 87 -1.854 0.850 8.992 629 HG LEU 87 HG LEU 87 -0.373 -1.145 7.276 630 1HD1 LEU 87 HD11 LEU 87 -0.072 -2.354 9.399 631 2HD1 LEU 87 HD12 LEU 87 -0.791 -0.994 10.260 632 3HD1 LEU 87 HD13 LEU 87 0.736 -0.786 9.403 633 1HD2 LEU 87 HD21 LEU 87 -2.914 -1.418 8.881 634 2HD2 LEU 87 HD22 LEU 87 -2.083 -2.721 8.031 635 3HD2 LEU 87 HD23 LEU 87 -2.800 -1.391 7.121 636 H SER 88 HN SER 88 -2.290 3.086 5.260 637 HA SER 88 HA SER 88 -2.050 5.259 6.979 638 1HB SER 88 HB2 SER 88 -3.071 6.578 5.116 639 2HB SER 88 HB1 SER 88 -1.745 5.532 4.611 640 HG SER 88 HG SER 88 -3.135 4.200 3.609 641 H ASP 89 HN ASP 89 -4.962 3.513 5.993 642 HA ASP 89 HA ASP 89 -6.730 5.456 7.175 643 1HB ASP 89 HB2 ASP 89 -7.347 2.641 6.255 644 2HB ASP 89 HB1 ASP 89 -8.523 3.903 6.604 645 H ARG 90 HN ARG 90 -4.789 3.063 8.428 646 HA ARG 90 HA ARG 90 -6.520 2.732 10.796 647 1HB ARG 90 HB2 ARG 90 -4.546 0.641 9.905 648 2HB ARG 90 HB1 ARG 90 -5.912 0.464 10.995 649 1HG ARG 90 HG2 ARG 90 -7.454 0.687 9.115 650 2HG ARG 90 HG1 ARG 90 -6.088 0.892 8.016 651 1HD ARG 90 HD2 ARG 90 -5.267 -1.359 8.844 652 2HD ARG 90 HD1 ARG 90 -6.845 -1.547 9.604 653 HE ARG 90 HE ARG 90 -6.750 -0.986 6.730 654 1HH1 ARG 90 HH11 ARG 90 -7.433 -3.213 9.352 655 2HH1 ARG 90 HH12 ARG 90 -8.120 -4.425 8.313 656 1HH2 ARG 90 HH21 ARG 90 -7.656 -2.579 5.364 657 2HH2 ARG 90 HH22 ARG 90 -8.245 -4.067 6.038 658 H MET 91 HN MET 91 -4.151 4.519 9.987 659 HA MET 91 HA MET 91 -1.780 3.531 11.121 660 1HB MET 91 HB2 MET 91 -0.870 5.743 10.843 661 2HB MET 91 HB1 MET 91 -1.868 5.355 9.450 662 1HG MET 91 HG2 MET 91 -3.626 6.762 10.221 663 2HG MET 91 HG1 MET 91 -2.828 7.000 11.775 664 1HE MET 91 HE1 MET 91 -2.722 7.751 7.926 665 2HE MET 91 HE2 MET 91 -1.145 7.005 8.190 666 3HE MET 91 HE3 MET 91 -1.254 8.718 7.783 667 H THR 92 HN THR 92 -0.609 4.179 12.952 668 HA THR 92 HA THR 92 -2.298 4.844 15.258 669 HB THR 92 HB THR 92 0.587 3.932 15.293 670 HG1 THR 92 HG1 THR 92 -0.396 2.197 14.436 671 1HG2 THR 92 HG21 THR 92 -0.215 4.980 17.357 672 2HG2 THR 92 HG22 THR 92 0.059 3.253 17.589 673 3HG2 THR 92 HG23 THR 92 -1.583 3.867 17.397 674 HA PRO 93 HA PRO 93 -0.419 8.954 14.855 675 1HB PRO 93 HB2 PRO 93 -2.109 10.171 16.594 676 2HB PRO 93 HB1 PRO 93 -2.543 9.840 14.913 677 1HG PRO 93 HG2 PRO 93 -3.270 8.332 17.391 678 2HG PRO 93 HG1 PRO 93 -4.276 8.730 15.986 679 1HD PRO 93 HD2 PRO 93 -3.139 6.286 16.360 680 2HD PRO 93 HD1 PRO 93 -3.471 6.966 14.755 681 H HIS 94 HN HIS 94 1.293 9.657 16.000 682 HA HIS 94 HA HIS 94 2.129 8.312 18.321 683 1HB HIS 94 HB2 HIS 94 3.973 9.888 18.445 684 2HB HIS 94 HB1 HIS 94 3.728 9.368 16.784 685 HD1 HIS 94 HD1 HIS 94 2.701 11.180 15.133 686 HD2 HIS 94 HD2 HIS 94 3.792 12.593 18.890 687 HE1 HIS 94 HE1 HIS 94 2.850 13.678 14.902 688 HE2 HIS 94 HE2 HIS 94 3.345 14.522 17.227 689 H ASN 95 HN ASN 95 2.138 8.801 20.436 690 HA ASN 95 HA ASN 95 -0.146 10.143 21.380 691 1HB ASN 95 HB2 ASN 95 0.991 9.745 23.672 692 2HB ASN 95 HB1 ASN 95 0.497 8.357 22.713 693 1HD2 ASN 95 HD21 ASN 95 1.961 7.039 23.796 694 2HD2 ASN 95 HD22 ASN 95 3.663 7.103 23.464 695 H GLY 96 HN GLY 96 3.304 11.010 21.822 696 1HA GLY 96 HA2 GLY 96 2.376 13.757 22.364 697 2HA GLY 96 HA1 GLY 96 3.489 12.967 23.467 698 HA PRO 97 HA PRO 97 5.846 15.403 20.224 699 1HB PRO 97 HB2 PRO 97 7.397 16.752 22.016 700 2HB PRO 97 HB1 PRO 97 5.836 17.349 21.440 701 1HG PRO 97 HG2 PRO 97 6.494 15.916 23.985 702 2HG PRO 97 HG1 PRO 97 5.441 17.321 23.731 703 1HD PRO 97 HD2 PRO 97 4.456 14.831 24.033 704 2HD PRO 97 HD1 PRO 97 3.686 16.026 22.969 705 H ILE 98 HN ILE 98 7.356 14.171 19.353 706 HA ILE 98 HA ILE 98 9.008 12.489 21.089 707 HB ILE 98 HB ILE 98 8.625 12.386 18.092 708 1HG1 ILE 98 HG12 ILE 98 7.474 10.667 20.304 709 2HG1 ILE 98 HG11 ILE 98 6.579 11.829 19.331 710 1HG2 ILE 98 HG21 ILE 98 9.720 10.196 18.249 711 2HG2 ILE 98 HG22 ILE 98 10.007 10.469 19.968 712 3HG2 ILE 98 HG23 ILE 98 10.786 11.501 18.768 713 1HD1 ILE 98 HD11 ILE 98 7.878 9.296 18.361 714 2HD1 ILE 98 HD12 ILE 98 7.059 10.476 17.335 715 3HD1 ILE 98 HD13 ILE 98 6.151 9.592 18.562 716 HA PRO 99 HA PRO 99 12.418 15.312 20.405 717 1HB PRO 99 HB2 PRO 99 14.010 13.190 21.670 718 2HB PRO 99 HB1 PRO 99 13.743 14.853 22.197 719 1HG PRO 99 HG2 PRO 99 12.650 12.758 23.485 720 2HG PRO 99 HG1 PRO 99 11.824 14.321 23.355 721 1HD PRO 99 HD2 PRO 99 11.370 11.801 21.803 722 2HD PRO 99 HD1 PRO 99 10.185 12.956 22.450 723 H ARG 100 HN ARG 100 12.833 15.253 18.244 724 HA ARG 100 HA ARG 100 14.010 12.883 17.049 725 1HB ARG 100 HB2 ARG 100 12.319 14.058 15.772 726 2HB ARG 100 HB1 ARG 100 13.226 15.557 15.885 727 1HG ARG 100 HG2 ARG 100 14.613 13.261 14.641 728 2HG ARG 100 HG1 ARG 100 13.276 13.982 13.737 729 1HD ARG 100 HD2 ARG 100 14.327 16.180 13.953 730 2HD ARG 100 HD1 ARG 100 15.656 15.451 14.852 731 HE ARG 100 HE ARG 100 16.139 14.166 12.771 732 1HH1 ARG 100 HH11 ARG 100 14.251 17.115 12.557 733 2HH1 ARG 100 HH12 ARG 100 14.867 17.543 10.989 734 1HH2 ARG 100 HH21 ARG 100 16.936 14.718 10.708 735 2HH2 ARG 100 HH22 ARG 100 16.399 16.184 9.933 736 H TYR 101 HN TYR 101 16.109 12.542 17.039 737 HA TYR 101 HA TYR 101 17.861 14.707 17.910 738 1HB TYR 101 HB2 TYR 101 18.432 11.755 17.580 739 2HB TYR 101 HB1 TYR 101 19.510 12.937 18.311 740 HD1 TYR 101 HD1 TYR 101 19.054 13.818 20.546 741 HD2 TYR 101 HD2 TYR 101 16.512 10.908 18.771 742 HE1 TYR 101 HE1 TYR 101 18.055 13.355 22.746 743 HE2 TYR 101 HE2 TYR 101 15.504 10.441 20.961 744 HH TYR 101 HH TYR 101 16.126 10.648 23.350 745 H VAL 102 HN VAL 102 17.914 12.128 15.460 746 HA VAL 102 HA VAL 102 19.946 13.638 13.998 747 HB VAL 102 HB VAL 102 20.255 11.553 12.666 748 1HG1 VAL 102 HG11 VAL 102 21.397 10.304 14.445 749 2HG1 VAL 102 HG12 VAL 102 20.548 11.267 15.655 750 3HG1 VAL 102 HG13 VAL 102 21.696 12.039 14.561 751 1HG2 VAL 102 HG21 VAL 102 19.290 9.462 13.451 752 2HG2 VAL 102 HG22 VAL 102 18.013 10.591 12.998 753 3HG2 VAL 102 HG23 VAL 102 18.391 10.322 14.699 Start of MODEL 6 1 1H MET 1 HT1 MET 1 0.408 1.910 -1.797 2 2H MET 1 HT2 MET 1 1.326 2.676 -0.593 3 3H MET 1 HT3 MET 1 0.211 1.466 -0.170 4 HA MET 1 HA MET 1 2.668 1.092 -1.781 5 1HB MET 1 HB2 MET 1 2.826 1.506 0.762 6 2HB MET 1 HB1 MET 1 2.064 -0.068 0.937 7 1HG MET 1 HG2 MET 1 4.482 -0.206 1.155 8 2HG MET 1 HG1 MET 1 3.903 -1.120 -0.235 9 1HE MET 1 HE1 MET 1 4.393 2.803 0.078 10 2HE MET 1 HE2 MET 1 6.050 2.958 -0.504 11 3HE MET 1 HE3 MET 1 5.723 2.105 1.004 12 H THR 2 HN THR 2 3.059 -1.557 -1.317 13 HA THR 2 HA THR 2 1.085 -2.670 -3.061 14 HB THR 2 HB THR 2 3.320 -3.298 -3.515 15 HG1 THR 2 HG1 THR 2 2.081 -5.524 -2.233 16 1HG2 THR 2 HG21 THR 2 4.313 -2.878 -1.326 17 2HG2 THR 2 HG22 THR 2 4.764 -4.478 -1.915 18 3HG2 THR 2 HG23 THR 2 3.520 -4.316 -0.677 19 H MET 3 HN MET 3 -0.604 -2.267 -1.326 20 HA MET 3 HA MET 3 -2.223 -3.095 0.013 21 1HB MET 3 HB2 MET 3 -1.193 -5.715 -1.073 22 2HB MET 3 HB1 MET 3 -2.701 -5.526 -0.190 23 1HG MET 3 HG2 MET 3 -2.007 -4.247 -2.823 24 2HG MET 3 HG1 MET 3 -3.108 -5.601 -2.571 25 1HE MET 3 HE1 MET 3 -5.481 -2.628 -3.589 26 2HE MET 3 HE2 MET 3 -4.963 -4.269 -3.975 27 3HE MET 3 HE3 MET 3 -3.845 -2.921 -4.179 28 H GLY 4 HN GLY 4 -0.328 -5.996 0.589 29 1HA GLY 4 HA2 GLY 4 1.038 -5.505 2.868 30 2HA GLY 4 HA1 GLY 4 -0.625 -5.608 3.431 31 H CYS 5 HN CYS 5 -0.691 -7.513 4.481 32 HA CYS 5 HA CYS 5 -0.522 -9.915 2.907 33 1HB CYS 5 HB2 CYS 5 1.112 -11.062 4.293 34 2HB CYS 5 HB1 CYS 5 1.831 -9.611 3.604 35 H ARG 6 HN ARG 6 -0.940 -11.885 4.557 36 HA ARG 6 HA ARG 6 -3.474 -11.345 5.677 37 1HB ARG 6 HB2 ARG 6 -3.476 -13.636 6.443 38 2HB ARG 6 HB1 ARG 6 -2.815 -13.559 4.819 39 1HG ARG 6 HG2 ARG 6 -0.561 -13.777 5.706 40 2HG ARG 6 HG1 ARG 6 -1.202 -13.802 7.351 41 1HD ARG 6 HD2 ARG 6 -2.464 -15.830 6.820 42 2HD ARG 6 HD1 ARG 6 -1.806 -15.808 5.186 43 HE ARG 6 HE ARG 6 0.278 -15.820 7.105 44 1HH1 ARG 6 HH11 ARG 6 -2.155 -17.869 5.671 45 2HH1 ARG 6 HH12 ARG 6 -1.236 -19.331 5.873 46 1HH2 ARG 6 HH21 ARG 6 1.500 -17.736 7.402 47 2HH2 ARG 6 HH22 ARG 6 0.850 -19.256 6.859 48 H HIS 7 HN HIS 7 -0.303 -11.188 7.043 49 HA HIS 7 HA HIS 7 -0.960 -11.527 9.757 50 1HB HIS 7 HB2 HIS 7 1.294 -9.964 8.491 51 2HB HIS 7 HB1 HIS 7 1.159 -10.278 10.217 52 HD2 HIS 7 HD2 HIS 7 0.778 -13.330 10.512 53 HE1 HIS 7 HE1 HIS 7 3.821 -13.779 7.606 54 HE2 HIS 7 HE2 HIS 7 2.363 -14.984 9.294 55 H VAL 8 HN VAL 8 -1.406 -8.841 7.606 56 HA VAL 8 HA VAL 8 -1.615 -6.765 9.517 57 HB VAL 8 HB VAL 8 -3.205 -6.896 6.962 58 1HG1 VAL 8 HG11 VAL 8 -3.004 -4.477 6.995 59 2HG1 VAL 8 HG12 VAL 8 -2.055 -4.565 8.478 60 3HG1 VAL 8 HG13 VAL 8 -3.748 -5.060 8.484 61 1HG2 VAL 8 HG21 VAL 8 -1.316 -5.854 5.843 62 2HG2 VAL 8 HG22 VAL 8 -0.929 -7.468 6.437 63 3HG2 VAL 8 HG23 VAL 8 -0.352 -6.048 7.307 64 H ALA 9 HN ALA 9 -3.790 -9.263 8.440 65 HA ALA 9 HA ALA 9 -6.102 -8.089 9.611 66 1HB ALA 9 HB1 ALA 9 -5.626 -10.924 8.698 67 2HB ALA 9 HB2 ALA 9 -6.309 -9.619 7.727 68 3HB ALA 9 HB3 ALA 9 -7.192 -10.234 9.125 69 H GLY 10 HN GLY 10 -3.445 -9.860 10.780 70 1HA GLY 10 HA2 GLY 10 -4.840 -10.879 13.127 71 2HA GLY 10 HA1 GLY 10 -3.149 -11.140 12.723 72 H ILE 11 HN ILE 11 -2.942 -8.150 12.199 73 HA ILE 11 HA ILE 11 -2.396 -7.413 14.967 74 HB ILE 11 HB ILE 11 -1.245 -5.446 14.065 75 1HG1 ILE 11 HG12 ILE 11 -1.895 -6.573 11.333 76 2HG1 ILE 11 HG11 ILE 11 -2.696 -5.180 12.051 77 1HG2 ILE 11 HG21 ILE 11 -0.416 -8.024 12.744 78 2HG2 ILE 11 HG22 ILE 11 -0.002 -7.514 14.380 79 3HG2 ILE 11 HG23 ILE 11 0.616 -6.616 12.993 80 1HD1 ILE 11 HD11 ILE 11 -0.572 -3.979 12.086 81 2HD1 ILE 11 HD12 ILE 11 -0.998 -4.503 10.456 82 3HD1 ILE 11 HD13 ILE 11 0.227 -5.379 11.373 83 H ARG 12 HN ARG 12 -3.091 -5.391 15.844 84 HA ARG 12 HA ARG 12 -5.485 -4.277 14.574 85 1HB ARG 12 HB2 ARG 12 -6.431 -4.123 16.986 86 2HB ARG 12 HB1 ARG 12 -6.545 -5.643 16.116 87 1HG ARG 12 HG2 ARG 12 -5.899 -6.197 18.301 88 2HG ARG 12 HG1 ARG 12 -4.441 -6.347 17.324 89 1HD ARG 12 HD2 ARG 12 -3.927 -5.263 19.418 90 2HD ARG 12 HD1 ARG 12 -3.725 -4.126 18.086 91 HE ARG 12 HE ARG 12 -6.063 -3.342 18.756 92 1HH1 ARG 12 HH11 ARG 12 -3.740 -4.668 21.025 93 2HH1 ARG 12 HH12 ARG 12 -4.360 -3.774 22.376 94 1HH2 ARG 12 HH21 ARG 12 -6.851 -2.140 20.534 95 2HH2 ARG 12 HH22 ARG 12 -6.115 -2.338 22.100 96 H THR 13 HN THR 13 -6.181 -2.210 15.801 97 HA THR 13 HA THR 13 -3.924 -0.466 15.787 98 HB THR 13 HB THR 13 -6.771 0.144 16.607 99 HG1 THR 13 HG1 THR 13 -6.858 0.897 14.372 100 1HG2 THR 13 HG21 THR 13 -6.187 2.457 16.035 101 2HG2 THR 13 HG22 THR 13 -4.533 1.958 15.680 102 3HG2 THR 13 HG23 THR 13 -5.151 1.851 17.329 103 H VAL 14 HN VAL 14 -2.533 -0.831 17.375 104 HA VAL 14 HA VAL 14 -3.387 -1.249 20.102 105 HB VAL 14 HB VAL 14 -0.939 -1.427 20.567 106 1HG1 VAL 14 HG11 VAL 14 -0.603 -3.522 19.322 107 2HG1 VAL 14 HG12 VAL 14 -2.001 -3.129 18.319 108 3HG1 VAL 14 HG13 VAL 14 -2.208 -3.416 20.047 109 1HG2 VAL 14 HG21 VAL 14 -0.691 -1.036 17.585 110 2HG2 VAL 14 HG22 VAL 14 0.611 -1.527 18.668 111 3HG2 VAL 14 HG23 VAL 14 -0.116 0.072 18.832 112 H THR 15 HN THR 15 -2.490 0.013 21.872 113 HA THR 15 HA THR 15 -2.377 2.861 21.232 114 HB THR 15 HB THR 15 -2.577 1.490 23.925 115 HG1 THR 15 HG1 THR 15 -4.438 2.038 21.999 116 1HG2 THR 15 HG21 THR 15 -1.607 3.729 24.077 117 2HG2 THR 15 HG22 THR 15 -3.237 3.704 24.753 118 3HG2 THR 15 HG23 THR 15 -2.956 4.385 23.150 119 HA PRO 16 HA PRO 16 2.085 2.843 21.554 120 1HB PRO 16 HB2 PRO 16 1.599 5.685 22.289 121 2HB PRO 16 HB1 PRO 16 2.668 5.008 21.056 122 1HG PRO 16 HG2 PRO 16 0.380 6.179 20.367 123 2HG PRO 16 HG1 PRO 16 0.943 4.720 19.530 124 1HD PRO 16 HD2 PRO 16 -1.190 5.014 21.602 125 2HD PRO 16 HD1 PRO 16 -1.145 3.968 20.168 126 H SER 17 HN SER 17 2.695 1.768 23.340 127 HA SER 17 HA SER 17 1.987 2.677 25.986 128 1HB SER 17 HB2 SER 17 2.150 0.247 25.250 129 2HB SER 17 HB1 SER 17 3.899 0.452 25.254 130 HG SER 17 HG SER 17 3.014 1.373 27.566 131 H ALA 18 HN ALA 18 3.965 4.005 23.961 132 HA ALA 18 HA ALA 18 5.630 5.185 25.958 133 1HB ALA 18 HB1 ALA 18 6.974 3.198 25.570 134 2HB ALA 18 HB2 ALA 18 7.787 4.608 24.891 135 3HB ALA 18 HB3 ALA 18 6.939 3.483 23.830 136 H LEU 19 HN LEU 19 6.587 7.117 25.198 137 HA LEU 19 HA LEU 19 5.287 8.225 22.864 138 1HB LEU 19 HB2 LEU 19 7.078 9.307 25.005 139 2HB LEU 19 HB1 LEU 19 6.848 10.225 23.531 140 HG LEU 19 HG LEU 19 4.440 10.346 23.955 141 1HD1 LEU 19 HD11 LEU 19 5.046 8.883 26.519 142 2HD1 LEU 19 HD12 LEU 19 4.149 8.234 25.146 143 3HD1 LEU 19 HD13 LEU 19 3.494 9.589 26.066 144 1HD2 LEU 19 HD21 LEU 19 5.868 12.106 24.818 145 2HD2 LEU 19 HD22 LEU 19 6.128 11.191 26.303 146 3HD2 LEU 19 HD23 LEU 19 4.522 11.808 25.918 147 H GLY 20 HN GLY 20 8.616 7.623 23.880 148 1HA GLY 20 HA2 GLY 20 9.339 7.415 21.031 149 2HA GLY 20 HA1 GLY 20 10.425 8.111 22.229 150 H CYS 21 HN CYS 21 12.053 6.573 21.886 151 HA CYS 21 HA CYS 21 11.516 3.777 22.210 152 1HB CYS 21 HB2 CYS 21 14.123 5.309 22.276 153 2HB CYS 21 HB1 CYS 21 13.990 3.554 22.283 154 HG CYS 21 HG CYS 21 12.258 4.522 19.746 155 H GLU 22 HN GLU 22 10.699 3.196 24.129 156 HA GLU 22 HA GLU 22 11.090 4.301 26.621 157 1HB GLU 22 HB2 GLU 22 9.435 2.540 26.071 158 2HB GLU 22 HB1 GLU 22 10.738 1.365 25.982 159 1HG GLU 22 HG2 GLU 22 11.250 1.938 28.385 160 2HG GLU 22 HG1 GLU 22 9.726 2.826 28.399 161 H GLU 23 HN GLU 23 13.027 1.930 24.925 162 HA GLU 23 HA GLU 23 14.845 1.248 26.927 163 1HB GLU 23 HB2 GLU 23 14.424 0.465 24.382 164 2HB GLU 23 HB1 GLU 23 15.848 1.469 24.148 165 1HG GLU 23 HG2 GLU 23 16.497 -0.820 24.463 166 2HG GLU 23 HG1 GLU 23 17.037 0.150 25.831 167 H CYS 24 HN CYS 24 15.439 3.507 24.226 168 HA CYS 24 HA CYS 24 17.677 4.774 25.184 169 1HB CYS 24 HB2 CYS 24 15.391 5.991 23.625 170 2HB CYS 24 HB1 CYS 24 16.982 6.719 23.808 171 HG CYS 24 HG CYS 24 17.800 5.715 21.608 172 H LEU 25 HN LEU 25 14.302 5.443 26.008 173 HA LEU 25 HA LEU 25 14.860 7.862 27.400 174 1HB LEU 25 HB2 LEU 25 12.445 6.065 27.394 175 2HB LEU 25 HB1 LEU 25 12.516 7.589 28.258 176 HG LEU 25 HG LEU 25 12.811 7.274 25.268 177 1HD1 LEU 25 HD11 LEU 25 10.504 8.288 26.925 178 2HD1 LEU 25 HD12 LEU 25 10.544 6.791 25.993 179 3HD1 LEU 25 HD13 LEU 25 10.609 8.347 25.165 180 1HD2 LEU 25 HD21 LEU 25 12.659 9.711 25.225 181 2HD2 LEU 25 HD22 LEU 25 14.059 9.176 26.154 182 3HD2 LEU 25 HD23 LEU 25 12.614 9.745 26.988 183 H LYS 26 HN LYS 26 15.209 4.581 28.316 184 HA LYS 26 HA LYS 26 14.829 5.100 31.142 185 1HB LYS 26 HB2 LYS 26 15.199 2.810 31.505 186 2HB LYS 26 HB1 LYS 26 14.392 2.858 29.943 187 1HG LYS 26 HG2 LYS 26 16.862 2.904 29.044 188 2HG LYS 26 HG1 LYS 26 17.205 2.176 30.613 189 1HD LYS 26 HD2 LYS 26 15.127 1.122 28.709 190 2HD LYS 26 HD1 LYS 26 16.798 0.563 28.728 191 1HE LYS 26 HE2 LYS 26 16.535 -0.152 31.045 192 2HE LYS 26 HE1 LYS 26 14.866 0.425 31.038 193 1HZ LYS 26 HZ1 LYS 26 15.774 -1.544 29.037 194 2HZ LYS 26 HZ2 LYS 26 14.203 -1.247 29.607 195 3HZ LYS 26 HZ3 LYS 26 15.326 -2.048 30.592 196 H ILE 27 HN ILE 27 17.343 5.393 28.855 197 HA ILE 27 HA ILE 27 19.342 5.572 31.015 198 HB ILE 27 HB ILE 27 21.064 5.055 29.289 199 1HG1 ILE 27 HG12 ILE 27 18.633 4.449 27.587 200 2HG1 ILE 27 HG11 ILE 27 19.847 5.684 27.282 201 1HG2 ILE 27 HG21 ILE 27 20.281 3.335 30.801 202 2HG2 ILE 27 HG22 ILE 27 20.593 2.645 29.208 203 3HG2 ILE 27 HG23 ILE 27 18.937 2.966 29.721 204 1HD1 ILE 27 HD11 ILE 27 20.167 3.765 25.838 205 2HD1 ILE 27 HD12 ILE 27 20.308 2.710 27.244 206 3HD1 ILE 27 HD13 ILE 27 21.529 3.946 26.943 207 H GLY 28 HN GLY 28 17.587 7.375 28.848 208 1HA GLY 28 HA2 GLY 28 17.675 9.649 28.437 209 2HA GLY 28 HA1 GLY 28 19.163 9.718 29.370 210 H SER 29 HN SER 29 18.406 7.802 26.497 211 HA SER 29 HA SER 29 20.612 9.171 25.105 212 1HB SER 29 HB2 SER 29 19.772 6.266 24.973 213 2HB SER 29 HB1 SER 29 20.991 6.996 23.931 214 HG SER 29 HG SER 29 21.908 7.674 26.138 215 HA PRO 30 HA PRO 30 17.719 9.944 21.834 216 1HB PRO 30 HB2 PRO 30 19.364 10.304 19.747 217 2HB PRO 30 HB1 PRO 30 19.324 11.436 21.103 218 1HG PRO 30 HG2 PRO 30 21.288 9.269 20.499 219 2HG PRO 30 HG1 PRO 30 21.576 10.900 21.130 220 1HD PRO 30 HD2 PRO 30 21.485 8.614 22.673 221 2HD PRO 30 HD1 PRO 30 21.192 10.254 23.283 222 H TRP 31 HN TRP 31 17.320 9.295 19.441 223 HA TRP 31 HA TRP 31 18.088 6.561 18.827 224 1HB TRP 31 HB2 TRP 31 15.727 5.885 18.431 225 2HB TRP 31 HB1 TRP 31 16.069 6.209 20.125 226 HD1 TRP 31 HD1 TRP 31 14.289 7.854 17.099 227 HE1 TRP 31 HE1 TRP 31 12.465 9.423 18.006 228 HE3 TRP 31 HE3 TRP 31 15.287 7.459 22.100 229 HZ2 TRP 31 HZ2 TRP 31 11.562 10.366 20.506 230 HZ3 TRP 31 HZ3 TRP 31 13.891 8.725 23.682 231 HH2 TRP 31 HH2 TRP 31 12.067 10.148 22.901 232 H VAL 32 HN VAL 32 17.368 5.939 16.612 233 HA VAL 32 HA VAL 32 17.480 8.245 14.840 234 HB VAL 32 HB VAL 32 17.479 5.305 14.122 235 1HG1 VAL 32 HG11 VAL 32 18.323 6.060 11.954 236 2HG1 VAL 32 HG12 VAL 32 18.177 7.737 12.479 237 3HG1 VAL 32 HG13 VAL 32 16.733 6.742 12.295 238 1HG2 VAL 32 HG21 VAL 32 19.803 7.217 14.325 239 2HG2 VAL 32 HG22 VAL 32 19.877 5.524 13.835 240 3HG2 VAL 32 HG23 VAL 32 19.425 5.945 15.487 241 H HIS 33 HN HIS 33 15.523 5.245 14.830 242 HA HIS 33 HA HIS 33 13.190 6.904 14.197 243 1HB HIS 33 HB2 HIS 33 14.082 4.433 12.715 244 2HB HIS 33 HB1 HIS 33 12.432 5.037 12.637 245 HD1 HIS 33 HD1 HIS 33 12.361 7.742 11.865 246 HD2 HIS 33 HD2 HIS 33 15.634 5.416 10.740 247 HE1 HIS 33 HE1 HIS 33 13.431 8.947 9.934 248 HE2 HIS 33 HE2 HIS 33 15.506 7.624 9.391 249 H LEU 34 HN LEU 34 11.154 5.963 14.671 250 HA LEU 34 HA LEU 34 11.303 4.210 17.030 251 1HB LEU 34 HB2 LEU 34 9.136 6.084 16.082 252 2HB LEU 34 HB1 LEU 34 9.026 5.075 17.510 253 HG LEU 34 HG LEU 34 11.013 7.309 17.104 254 1HD1 LEU 34 HD11 LEU 34 9.698 8.459 18.812 255 2HD1 LEU 34 HD12 LEU 34 8.545 7.125 18.822 256 3HD1 LEU 34 HD13 LEU 34 8.732 8.118 17.377 257 1HD2 LEU 34 HD21 LEU 34 11.875 5.505 18.506 258 2HD2 LEU 34 HD22 LEU 34 10.422 5.585 19.504 259 3HD2 LEU 34 HD23 LEU 34 11.537 6.951 19.456 260 H ARG 35 HN ARG 35 10.430 2.236 16.987 261 HA ARG 35 HA ARG 35 8.597 1.608 14.766 262 1HB ARG 35 HB2 ARG 35 10.403 -0.403 16.109 263 2HB ARG 35 HB1 ARG 35 9.501 -0.588 14.612 264 1HG ARG 35 HG2 ARG 35 11.866 1.225 15.039 265 2HG ARG 35 HG1 ARG 35 11.877 -0.318 14.190 266 1HD ARG 35 HD2 ARG 35 10.181 2.026 13.356 267 2HD ARG 35 HD1 ARG 35 11.801 1.732 12.730 268 HE ARG 35 HE ARG 35 9.638 -0.242 12.423 269 1HH1 ARG 35 HH11 ARG 35 12.193 1.741 11.066 270 2HH1 ARG 35 HH12 ARG 35 12.073 1.028 9.492 271 1HH2 ARG 35 HH21 ARG 35 9.501 -1.182 10.331 272 2HH2 ARG 35 HH22 ARG 35 10.559 -0.622 9.069 273 H ILE 36 HN ILE 36 6.618 1.501 15.597 274 HA ILE 36 HA ILE 36 6.282 0.480 18.328 275 HB ILE 36 HB ILE 36 5.170 2.594 17.910 276 1HG1 ILE 36 HG12 ILE 36 3.145 0.353 18.076 277 2HG1 ILE 36 HG11 ILE 36 4.118 0.933 19.424 278 1HG2 ILE 36 HG21 ILE 36 3.349 2.823 16.306 279 2HG2 ILE 36 HG22 ILE 36 3.634 1.177 15.742 280 3HG2 ILE 36 HG23 ILE 36 4.865 2.416 15.501 281 1HD1 ILE 36 HD11 ILE 36 1.865 1.833 19.498 282 2HD1 ILE 36 HD12 ILE 36 2.085 2.543 17.898 283 3HD1 ILE 36 HD13 ILE 36 3.053 3.115 19.256 284 H CYS 37 HN CYS 37 5.666 -1.437 18.698 285 HA CYS 37 HA CYS 37 5.299 -3.305 16.571 286 1HB CYS 37 HB2 CYS 37 6.554 -3.733 18.656 287 2HB CYS 37 HB1 CYS 37 5.054 -3.616 19.564 288 H ARG 38 HN ARG 38 3.415 -3.733 15.590 289 HA ARG 38 HA ARG 38 0.989 -2.525 16.495 290 1HB ARG 38 HB2 ARG 38 1.559 -4.405 14.206 291 2HB ARG 38 HB1 ARG 38 -0.014 -3.687 14.509 292 1HG ARG 38 HG2 ARG 38 2.506 -2.132 13.969 293 2HG ARG 38 HG1 ARG 38 1.260 -2.502 12.775 294 1HD ARG 38 HD2 ARG 38 1.011 -0.793 15.242 295 2HD ARG 38 HD1 ARG 38 0.854 -0.290 13.560 296 HE ARG 38 HE ARG 38 -1.057 -2.187 14.746 297 1HH1 ARG 38 HH11 ARG 38 -0.380 0.830 13.085 298 2HH1 ARG 38 HH12 ARG 38 -2.066 1.216 12.890 299 1HH2 ARG 38 HH21 ARG 38 -3.257 -1.666 14.435 300 2HH2 ARG 38 HH22 ARG 38 -3.681 -0.187 13.630 301 H THR 39 HN THR 39 2.387 -5.244 17.621 302 HA THR 39 HA THR 39 -0.105 -6.752 17.842 303 HB THR 39 HB THR 39 2.548 -7.650 18.937 304 HG1 THR 39 HG1 THR 39 1.775 -8.432 16.362 305 1HG2 THR 39 HG21 THR 39 1.624 -9.874 18.435 306 2HG2 THR 39 HG22 THR 39 0.154 -9.118 17.820 307 3HG2 THR 39 HG23 THR 39 0.579 -8.964 19.526 308 H CYS 40 HN CYS 40 2.549 -5.780 20.023 309 HA CYS 40 HA CYS 40 0.672 -5.992 22.261 310 1HB CYS 40 HB2 CYS 40 2.655 -6.199 23.690 311 2HB CYS 40 HB1 CYS 40 2.704 -7.376 22.384 312 H GLY 41 HN GLY 41 1.809 -3.661 20.267 313 1HA GLY 41 HA2 GLY 41 1.437 -1.398 20.355 314 2HA GLY 41 HA1 GLY 41 0.774 -1.622 21.962 315 H HIS 42 HN HIS 42 3.994 -2.803 21.570 316 HA HIS 42 HA HIS 42 4.845 -0.584 23.271 317 1HB HIS 42 HB2 HIS 42 5.276 -3.069 23.833 318 2HB HIS 42 HB1 HIS 42 6.559 -2.970 22.628 319 HD1 HIS 42 HD1 HIS 42 8.747 -2.581 23.722 320 HD2 HIS 42 HD2 HIS 42 5.651 -0.658 25.728 321 HE1 HIS 42 HE1 HIS 42 9.830 -1.360 25.636 322 HE2 HIS 42 HE2 HIS 42 7.932 -0.274 26.890 323 H VAL 43 HN VAL 43 6.258 0.929 22.689 324 HA VAL 43 HA VAL 43 7.193 0.966 19.931 325 HB VAL 43 HB VAL 43 7.553 3.105 22.041 326 1HG1 VAL 43 HG11 VAL 43 7.819 4.602 20.128 327 2HG1 VAL 43 HG12 VAL 43 7.625 3.237 19.028 328 3HG1 VAL 43 HG13 VAL 43 9.019 3.311 20.105 329 1HG2 VAL 43 HG21 VAL 43 5.578 4.209 21.048 330 2HG2 VAL 43 HG22 VAL 43 5.181 2.679 21.830 331 3HG2 VAL 43 HG23 VAL 43 5.290 2.769 20.071 332 H GLY 44 HN GLY 44 9.271 0.640 19.342 333 1HA GLY 44 HA2 GLY 44 11.330 0.647 21.453 334 2HA GLY 44 HA1 GLY 44 11.189 -0.725 20.361 335 H CYS 45 HN CYS 45 13.576 0.485 20.431 336 HA CYS 45 HA CYS 45 13.735 2.521 18.394 337 1HB CYS 45 HB2 CYS 45 16.229 2.231 18.745 338 2HB CYS 45 HB1 CYS 45 15.310 2.770 20.145 339 HG CYS 45 HG CYS 45 17.214 1.075 21.127 340 H CYS 46 HN CYS 46 14.353 2.296 16.345 341 HA CYS 46 HA CYS 46 14.023 -0.205 15.078 342 1HB CYS 46 HB2 CYS 46 13.580 2.086 14.094 343 2HB CYS 46 HB1 CYS 46 15.320 2.255 13.898 344 HG CYS 46 HG CYS 46 15.334 1.246 11.557 345 H ASP 47 HN ASP 47 15.744 -0.922 13.384 346 HA ASP 47 HA ASP 47 18.020 -1.760 14.911 347 1HB ASP 47 HB2 ASP 47 18.593 -3.120 12.991 348 2HB ASP 47 HB1 ASP 47 16.864 -3.252 13.291 349 H ASP 48 HN ASP 48 17.340 0.931 13.034 350 HA ASP 48 HA ASP 48 19.787 1.584 11.865 351 1HB ASP 48 HB2 ASP 48 17.752 3.408 13.170 352 2HB ASP 48 HB1 ASP 48 19.078 3.959 12.153 353 H SER 49 HN SER 49 18.599 2.133 15.153 354 HA SER 49 HA SER 49 21.192 3.012 16.080 355 1HB SER 49 HB2 SER 49 18.713 2.252 17.656 356 2HB SER 49 HB1 SER 49 20.129 3.089 18.290 357 HG SER 49 HG SER 49 19.582 4.893 17.202 358 HA PRO 50 HA PRO 50 22.920 -1.007 16.397 359 1HB PRO 50 HB2 PRO 50 24.586 -0.592 18.571 360 2HB PRO 50 HB1 PRO 50 24.965 -0.168 16.899 361 1HG PRO 50 HG2 PRO 50 23.933 1.558 19.107 362 2HG PRO 50 HG1 PRO 50 25.135 1.930 17.858 363 1HD PRO 50 HD2 PRO 50 22.623 2.841 17.689 364 2HD PRO 50 HD1 PRO 50 23.516 2.325 16.242 365 H HIS 51 HN HIS 51 21.211 0.379 19.038 366 HA HIS 51 HA HIS 51 21.305 -1.748 20.889 367 1HB HIS 51 HB2 HIS 51 20.370 0.718 21.031 368 2HB HIS 51 HB1 HIS 51 18.864 -0.052 20.555 369 HD1 HIS 51 HD1 HIS 51 19.912 1.294 23.385 370 HD2 HIS 51 HD2 HIS 51 19.028 -2.683 22.545 371 HE1 HIS 51 HE1 HIS 51 19.234 0.282 25.577 372 HE2 HIS 51 HE2 HIS 51 18.755 -2.150 25.071 373 H LYS 52 HN LYS 52 19.202 -1.013 18.160 374 HA LYS 52 HA LYS 52 17.593 -2.175 17.045 375 1HB LYS 52 HB2 LYS 52 19.435 -4.484 17.675 376 2HB LYS 52 HB1 LYS 52 18.260 -4.421 16.370 377 1HG LYS 52 HG2 LYS 52 19.535 -2.464 15.452 378 2HG LYS 52 HG1 LYS 52 20.775 -2.801 16.658 379 1HD LYS 52 HD2 LYS 52 19.807 -4.730 14.550 380 2HD LYS 52 HD1 LYS 52 21.305 -3.803 14.480 381 1HE LYS 52 HE2 LYS 52 22.142 -4.935 16.444 382 2HE LYS 52 HE1 LYS 52 20.614 -5.794 16.634 383 1HZ LYS 52 HZ1 LYS 52 22.432 -7.094 15.559 384 2HZ LYS 52 HZ2 LYS 52 22.331 -6.045 14.233 385 3HZ LYS 52 HZ3 LYS 52 21.002 -7.005 14.652 386 H HIS 53 HN HIS 53 16.503 -1.772 19.450 387 HA HIS 53 HA HIS 53 15.952 -4.229 20.831 388 1HB HIS 53 HB2 HIS 53 16.034 -1.930 21.910 389 2HB HIS 53 HB1 HIS 53 14.457 -1.632 21.185 390 HD1 HIS 53 HD1 HIS 53 12.459 -2.462 22.468 391 HD2 HIS 53 HD2 HIS 53 16.014 -4.148 23.800 392 HE1 HIS 53 HE1 HIS 53 11.856 -3.761 24.530 393 HE2 HIS 53 HE2 HIS 53 14.067 -4.535 25.458 394 H ALA 54 HN ALA 54 14.531 -2.557 18.182 395 HA ALA 54 HA ALA 54 11.896 -3.630 18.426 396 1HB ALA 54 HB1 ALA 54 13.305 -2.559 15.983 397 2HB ALA 54 HB2 ALA 54 12.350 -1.610 17.123 398 3HB ALA 54 HB3 ALA 54 11.572 -2.849 16.137 399 H THR 55 HN THR 55 14.778 -4.572 16.587 400 HA THR 55 HA THR 55 13.497 -6.786 15.320 401 HB THR 55 HB THR 55 15.892 -7.413 14.723 402 HG1 THR 55 HG1 THR 55 17.492 -5.983 15.258 403 1HG2 THR 55 HG21 THR 55 14.465 -6.141 13.204 404 2HG2 THR 55 HG22 THR 55 16.127 -5.558 13.127 405 3HG2 THR 55 HG23 THR 55 14.914 -4.643 14.020 406 H ARG 56 HN ARG 56 15.768 -6.424 18.022 407 HA ARG 56 HA ARG 56 15.979 -9.124 18.726 408 1HB ARG 56 HB2 ARG 56 16.198 -6.584 20.329 409 2HB ARG 56 HB1 ARG 56 16.429 -8.163 21.067 410 1HG ARG 56 HG2 ARG 56 18.329 -8.615 19.744 411 2HG ARG 56 HG1 ARG 56 17.993 -7.259 18.667 412 1HD ARG 56 HD2 ARG 56 19.845 -6.825 20.258 413 2HD ARG 56 HD1 ARG 56 18.515 -5.680 20.396 414 HE ARG 56 HE ARG 56 17.953 -7.607 22.258 415 1HH1 ARG 56 HH11 ARG 56 20.753 -5.592 21.612 416 2HH1 ARG 56 HH12 ARG 56 21.159 -5.411 23.297 417 1HH2 ARG 56 HH21 ARG 56 18.493 -7.367 24.458 418 2HH2 ARG 56 HH22 ARG 56 19.888 -6.435 24.912 419 H HIS 57 HN HIS 57 13.460 -6.792 19.291 420 HA HIS 57 HA HIS 57 12.037 -8.180 21.296 421 1HB HIS 57 HB2 HIS 57 11.580 -5.842 20.858 422 2HB HIS 57 HB1 HIS 57 11.088 -6.208 19.207 423 HD1 HIS 57 HD1 HIS 57 9.941 -6.798 22.783 424 HD2 HIS 57 HD2 HIS 57 8.462 -6.798 18.894 425 HE1 HIS 57 HE1 HIS 57 7.438 -7.103 22.969 426 H PHE 58 HN PHE 58 11.875 -8.254 17.763 427 HA PHE 58 HA PHE 58 9.633 -9.943 17.547 428 1HB PHE 58 HB2 PHE 58 10.346 -8.716 15.620 429 2HB PHE 58 HB1 PHE 58 11.953 -9.431 15.682 430 HD1 PHE 58 HD1 PHE 58 8.451 -10.750 15.632 431 HD2 PHE 58 HD2 PHE 58 12.354 -10.869 13.972 432 HE1 PHE 58 HE1 PHE 58 7.729 -12.513 14.077 433 HE2 PHE 58 HE2 PHE 58 11.646 -12.632 12.411 434 HZ PHE 58 HZ PHE 58 9.330 -13.458 12.464 435 H HIS 59 HN HIS 59 13.067 -10.589 17.882 436 HA HIS 59 HA HIS 59 12.914 -13.383 17.451 437 1HB HIS 59 HB2 HIS 59 14.960 -11.608 18.759 438 2HB HIS 59 HB1 HIS 59 15.148 -13.358 18.731 439 HD1 HIS 59 HD1 HIS 59 16.769 -13.945 16.974 440 HD2 HIS 59 HD2 HIS 59 14.276 -10.834 15.784 441 HE1 HIS 59 HE1 HIS 59 17.436 -13.404 14.609 442 HE2 HIS 59 HE2 HIS 59 15.803 -11.641 13.855 443 H ALA 60 HN ALA 60 12.255 -11.382 20.195 444 HA ALA 60 HA ALA 60 12.377 -13.605 22.058 445 1HB ALA 60 HB1 ALA 60 13.198 -11.381 22.722 446 2HB ALA 60 HB2 ALA 60 11.914 -11.971 23.777 447 3HB ALA 60 HB3 ALA 60 11.559 -10.749 22.557 448 H THR 61 HN THR 61 9.881 -11.377 20.801 449 HA THR 61 HA THR 61 7.846 -12.886 22.262 450 HB THR 61 HB THR 61 6.306 -11.046 21.415 451 HG1 THR 61 HG1 THR 61 8.832 -9.921 20.702 452 1HG2 THR 61 HG21 THR 61 7.031 -9.457 23.099 453 2HG2 THR 61 HG22 THR 61 8.637 -10.193 23.135 454 3HG2 THR 61 HG23 THR 61 7.236 -11.104 23.701 455 H GLY 62 HN GLY 62 8.965 -12.433 19.005 456 1HA GLY 62 HA2 GLY 62 8.309 -13.519 17.071 457 2HA GLY 62 HA1 GLY 62 7.089 -14.371 18.008 458 H HIS 63 HN HIS 63 7.529 -10.880 17.669 459 HA HIS 63 HA HIS 63 4.809 -10.726 16.544 460 1HB HIS 63 HB2 HIS 63 6.400 -8.669 18.097 461 2HB HIS 63 HB1 HIS 63 4.841 -8.351 17.352 462 HD2 HIS 63 HD2 HIS 63 4.288 -11.688 18.778 463 HE1 HIS 63 HE1 HIS 63 3.586 -8.990 21.972 464 HE2 HIS 63 HE2 HIS 63 3.478 -11.431 21.235 465 HA PRO 64 HA PRO 64 7.485 -9.892 13.086 466 1HB PRO 64 HB2 PRO 64 5.830 -10.620 11.135 467 2HB PRO 64 HB1 PRO 64 6.472 -11.801 12.284 468 1HG PRO 64 HG2 PRO 64 3.785 -10.477 12.231 469 2HG PRO 64 HG1 PRO 64 4.188 -12.176 12.542 470 1HD PRO 64 HD2 PRO 64 3.687 -10.304 14.506 471 2HD PRO 64 HD1 PRO 64 4.640 -11.781 14.747 472 H ILE 65 HN ILE 65 4.938 -7.833 13.921 473 HA ILE 65 HA ILE 65 5.479 -6.234 11.511 474 HB ILE 65 HB ILE 65 2.785 -6.519 12.843 475 1HG1 ILE 65 HG12 ILE 65 3.834 -7.303 10.111 476 2HG1 ILE 65 HG11 ILE 65 3.299 -8.393 11.385 477 1HG2 ILE 65 HG21 ILE 65 1.983 -4.975 11.102 478 2HG2 ILE 65 HG22 ILE 65 3.643 -4.740 10.559 479 3HG2 ILE 65 HG23 ILE 65 3.158 -4.211 12.171 480 1HD1 ILE 65 HD11 ILE 65 1.020 -7.547 11.136 481 2HD1 ILE 65 HD12 ILE 65 1.643 -8.216 9.627 482 3HD1 ILE 65 HD13 ILE 65 1.566 -6.468 9.852 483 H ILE 66 HN ILE 66 6.202 -4.301 11.822 484 HA ILE 66 HA ILE 66 5.617 -2.890 14.339 485 HB ILE 66 HB ILE 66 7.888 -1.888 14.246 486 1HG1 ILE 66 HG12 ILE 66 8.492 -4.057 12.226 487 2HG1 ILE 66 HG11 ILE 66 8.249 -2.365 11.807 488 1HG2 ILE 66 HG21 ILE 66 7.868 -4.890 14.455 489 2HG2 ILE 66 HG22 ILE 66 7.378 -3.769 15.725 490 3HG2 ILE 66 HG23 ILE 66 9.055 -3.803 15.176 491 1HD1 ILE 66 HD11 ILE 66 10.408 -3.426 13.613 492 2HD1 ILE 66 HD12 ILE 66 10.176 -1.742 13.137 493 3HD1 ILE 66 HD13 ILE 66 10.610 -2.950 11.926 494 H GLU 67 HN GLU 67 5.138 -0.749 14.124 495 HA GLU 67 HA GLU 67 4.895 0.235 11.366 496 1HB GLU 67 HB2 GLU 67 2.804 0.073 12.618 497 2HB GLU 67 HB1 GLU 67 3.475 1.059 13.905 498 1HG GLU 67 HG2 GLU 67 3.565 2.976 12.446 499 2HG GLU 67 HG1 GLU 67 3.011 1.998 11.086 500 H GLY 68 HN GLY 68 5.609 2.307 10.814 501 1HA GLY 68 HA2 GLY 68 7.823 3.347 12.317 502 2HA GLY 68 HA1 GLY 68 7.114 4.063 10.873 503 H TYR 69 HN TYR 69 7.525 4.407 14.171 504 HA TYR 69 HA TYR 69 4.962 5.719 14.622 505 1HB TYR 69 HB2 TYR 69 5.861 4.058 16.254 506 2HB TYR 69 HB1 TYR 69 7.180 5.171 16.599 507 HD1 TYR 69 HD1 TYR 69 6.871 5.924 18.762 508 HD2 TYR 69 HD2 TYR 69 3.529 5.789 16.137 509 HE1 TYR 69 HE1 TYR 69 5.495 7.040 20.464 510 HE2 TYR 69 HE2 TYR 69 2.143 6.905 17.832 511 HH TYR 69 HH TYR 69 3.540 8.133 20.820 512 H ASP 70 HN ASP 70 8.338 6.525 14.220 513 HA ASP 70 HA ASP 70 7.987 9.191 15.232 514 1HB ASP 70 HB2 ASP 70 10.282 9.625 14.601 515 2HB ASP 70 HB1 ASP 70 10.176 8.080 15.427 516 HA PRO 71 HA PRO 71 7.508 10.393 10.711 517 1HB PRO 71 HB2 PRO 71 7.148 8.308 8.879 518 2HB PRO 71 HB1 PRO 71 8.633 9.227 9.123 519 1HG PRO 71 HG2 PRO 71 8.219 6.489 9.679 520 2HG PRO 71 HG1 PRO 71 9.626 7.466 10.127 521 1HD PRO 71 HD2 PRO 71 7.276 6.670 11.761 522 2HD PRO 71 HD1 PRO 71 8.952 6.979 12.261 523 HA PRO 72 HA PRO 72 3.122 9.694 11.485 524 1HB PRO 72 HB2 PRO 72 2.768 12.253 10.106 525 2HB PRO 72 HB1 PRO 72 2.416 11.827 11.783 526 1HG PRO 72 HG2 PRO 72 4.441 13.477 11.119 527 2HG PRO 72 HG1 PRO 72 4.532 12.377 12.507 528 1HD PRO 72 HD2 PRO 72 5.706 12.070 9.766 529 2HD PRO 72 HD1 PRO 72 6.436 11.723 11.350 530 H GLU 73 HN GLU 73 4.388 8.558 9.125 531 HA GLU 73 HA GLU 73 2.718 9.292 6.865 532 1HB GLU 73 HB2 GLU 73 4.737 7.058 7.085 533 2HB GLU 73 HB1 GLU 73 4.065 7.731 5.607 534 1HG GLU 73 HG2 GLU 73 5.187 9.841 6.038 535 2HG GLU 73 HG1 GLU 73 5.830 9.201 7.551 536 H GLY 74 HN GLY 74 3.151 6.625 9.127 537 1HA GLY 74 HA2 GLY 74 1.572 5.066 9.808 538 2HA GLY 74 HA1 GLY 74 0.458 5.714 8.612 539 H TRP 75 HN TRP 75 3.174 3.554 9.124 540 HA TRP 75 HA TRP 75 2.182 1.845 7.015 541 1HB TRP 75 HB2 TRP 75 4.510 1.619 6.021 542 2HB TRP 75 HB1 TRP 75 3.653 3.109 5.652 543 HD1 TRP 75 HD1 TRP 75 4.717 5.358 6.458 544 HE1 TRP 75 HE1 TRP 75 6.980 5.981 7.515 545 HE3 TRP 75 HE3 TRP 75 6.334 0.671 7.704 546 HZ2 TRP 75 HZ2 TRP 75 9.161 4.648 8.726 547 HZ3 TRP 75 HZ3 TRP 75 8.517 0.432 8.806 548 HH2 TRP 75 HH2 TRP 75 9.901 2.377 9.308 549 H GLY 76 HN GLY 76 2.585 -0.274 7.371 550 1HA GLY 76 HA2 GLY 76 4.100 -0.906 9.818 551 2HA GLY 76 HA1 GLY 76 2.817 -1.895 9.137 552 H TRP 77 HN TRP 77 5.844 -2.170 9.787 553 HA TRP 77 HA TRP 77 6.669 -3.336 7.217 554 1HB TRP 77 HB2 TRP 77 8.317 -1.837 8.210 555 2HB TRP 77 HB1 TRP 77 8.250 -2.721 9.729 556 HD1 TRP 77 HD1 TRP 77 9.628 -4.986 9.898 557 HE1 TRP 77 HE1 TRP 77 11.451 -6.046 8.413 558 HE3 TRP 77 HE3 TRP 77 9.063 -2.077 5.737 559 HZ2 TRP 77 HZ2 TRP 77 12.504 -5.681 5.824 560 HZ3 TRP 77 HZ3 TRP 77 10.519 -2.494 3.797 561 HH2 TRP 77 HH2 TRP 77 12.205 -4.259 3.842 562 H CYS 78 HN CYS 78 6.903 -5.510 6.999 563 HA CYS 78 HA CYS 78 6.246 -7.127 9.377 564 1HB CYS 78 HB2 CYS 78 4.706 -7.040 7.253 565 2HB CYS 78 HB1 CYS 78 5.904 -8.132 6.576 566 H TYR 79 HN TYR 79 7.951 -8.162 10.166 567 HA TYR 79 HA TYR 79 10.486 -8.144 9.058 568 1HB TYR 79 HB2 TYR 79 9.277 -9.933 11.154 569 2HB TYR 79 HB1 TYR 79 10.978 -10.014 10.716 570 HD1 TYR 79 HD1 TYR 79 12.285 -7.754 10.854 571 HD2 TYR 79 HD2 TYR 79 8.610 -8.512 12.855 572 HE1 TYR 79 HE1 TYR 79 12.803 -5.974 12.465 573 HE2 TYR 79 HE2 TYR 79 9.115 -6.729 14.469 574 HH TYR 79 HH TYR 79 11.218 -5.613 15.365 575 H VAL 80 HN VAL 80 8.543 -11.114 9.429 576 HA VAL 80 HA VAL 80 10.303 -12.710 7.944 577 HB VAL 80 HB VAL 80 8.426 -14.371 7.866 578 1HG1 VAL 80 HG11 VAL 80 9.099 -13.102 10.517 579 2HG1 VAL 80 HG12 VAL 80 9.992 -14.383 9.697 580 3HG1 VAL 80 HG13 VAL 80 8.372 -14.697 10.321 581 1HG2 VAL 80 HG21 VAL 80 6.945 -12.213 9.371 582 2HG2 VAL 80 HG22 VAL 80 6.403 -13.878 9.167 583 3HG2 VAL 80 HG23 VAL 80 6.548 -12.820 7.763 584 H ASP 81 HN ASP 81 7.877 -10.556 6.868 585 HA ASP 81 HA ASP 81 7.601 -11.813 4.256 586 1HB ASP 81 HB2 ASP 81 6.506 -9.169 5.239 587 2HB ASP 81 HB1 ASP 81 6.066 -9.983 3.746 588 H GLU 82 HN GLU 82 9.106 -9.066 5.795 589 HA GLU 82 HA GLU 82 10.688 -7.584 5.178 590 1HB GLU 82 HB2 GLU 82 11.084 -9.474 2.859 591 2HB GLU 82 HB1 GLU 82 12.095 -8.067 3.160 592 1HG GLU 82 HG2 GLU 82 12.653 -9.021 5.383 593 2HG GLU 82 HG1 GLU 82 11.761 -10.474 4.930 594 H VAL 83 HN VAL 83 7.868 -7.479 4.260 595 HA VAL 83 HA VAL 83 8.273 -5.509 2.116 596 HB VAL 83 HB VAL 83 5.941 -5.834 1.426 597 1HG1 VAL 83 HG11 VAL 83 7.682 -7.074 0.285 598 2HG1 VAL 83 HG12 VAL 83 6.203 -8.030 0.374 599 3HG1 VAL 83 HG13 VAL 83 7.549 -8.383 1.459 600 1HG2 VAL 83 HG21 VAL 83 5.898 -8.085 3.441 601 2HG2 VAL 83 HG22 VAL 83 4.639 -7.755 2.250 602 3HG2 VAL 83 HG23 VAL 83 4.973 -6.586 3.528 603 H MET 84 HN MET 84 7.480 -3.506 2.376 604 HA MET 84 HA MET 84 6.237 -2.855 4.952 605 1HB MET 84 HB2 MET 84 8.237 -1.562 4.265 606 2HB MET 84 HB1 MET 84 7.396 -1.048 2.812 607 1HG MET 84 HG2 MET 84 5.768 0.150 4.153 608 2HG MET 84 HG1 MET 84 6.556 -0.402 5.630 609 1HE MET 84 HE1 MET 84 6.938 1.765 2.376 610 2HE MET 84 HE2 MET 84 8.349 0.710 2.299 611 3HE MET 84 HE3 MET 84 8.556 2.438 2.583 612 H PHE 85 HN PHE 85 4.167 -2.058 5.065 613 HA PHE 85 HA PHE 85 2.824 -1.496 2.515 614 1HB PHE 85 HB2 PHE 85 0.781 -2.620 3.341 615 2HB PHE 85 HB1 PHE 85 2.125 -3.735 3.149 616 HD1 PHE 85 HD1 PHE 85 -0.025 -2.002 5.570 617 HD2 PHE 85 HD2 PHE 85 3.081 -4.866 5.040 618 HE1 PHE 85 HE1 PHE 85 -0.366 -2.795 7.874 619 HE2 PHE 85 HE2 PHE 85 2.742 -5.657 7.346 620 HZ PHE 85 HZ PHE 85 1.028 -4.617 8.768 621 H ASP 86 HN ASP 86 1.274 0.112 2.572 622 HA ASP 86 HA ASP 86 1.572 2.065 4.603 623 1HB ASP 86 HB2 ASP 86 -0.216 3.282 3.434 624 2HB ASP 86 HB1 ASP 86 1.002 2.702 2.305 625 H LEU 87 HN LEU 87 0.289 2.565 6.302 626 HA LEU 87 HA LEU 87 -1.996 0.821 6.861 627 1HB LEU 87 HB2 LEU 87 0.120 -0.187 7.757 628 2HB LEU 87 HB1 LEU 87 0.319 1.233 8.760 629 HG LEU 87 HG LEU 87 -1.677 0.686 10.009 630 1HD1 LEU 87 HD11 LEU 87 -3.007 -0.302 8.229 631 2HD1 LEU 87 HD12 LEU 87 -2.897 -1.401 9.605 632 3HD1 LEU 87 HD13 LEU 87 -1.918 -1.687 8.167 633 1HD2 LEU 87 HD21 LEU 87 0.428 -0.299 10.731 634 2HD2 LEU 87 HD22 LEU 87 0.143 -1.693 9.689 635 3HD2 LEU 87 HD23 LEU 87 -0.921 -1.386 11.061 636 H SER 88 HN SER 88 -1.549 3.657 6.184 637 HA SER 88 HA SER 88 -1.569 5.327 8.436 638 1HB SER 88 HB2 SER 88 -1.010 6.066 6.137 639 2HB SER 88 HB1 SER 88 -2.703 5.881 5.685 640 HG SER 88 HG SER 88 -2.827 7.889 6.303 641 H ASP 89 HN ASP 89 -4.185 3.717 6.715 642 HA ASP 89 HA ASP 89 -6.284 5.232 7.890 643 1HB ASP 89 HB2 ASP 89 -6.127 2.715 6.313 644 2HB ASP 89 HB1 ASP 89 -7.589 2.994 7.252 645 H ARG 90 HN ARG 90 -4.301 2.733 9.109 646 HA ARG 90 HA ARG 90 -6.110 2.434 11.419 647 1HB ARG 90 HB2 ARG 90 -4.387 0.235 10.259 648 2HB ARG 90 HB1 ARG 90 -5.495 0.095 11.615 649 1HG ARG 90 HG2 ARG 90 -7.382 0.496 10.134 650 2HG ARG 90 HG1 ARG 90 -6.280 0.675 8.768 651 1HD ARG 90 HD2 ARG 90 -5.472 -1.654 9.237 652 2HD ARG 90 HD1 ARG 90 -6.776 -1.799 10.415 653 HE ARG 90 HE ARG 90 -7.996 -0.996 8.084 654 1HH1 ARG 90 HH11 ARG 90 -6.076 -3.742 9.139 655 2HH1 ARG 90 HH12 ARG 90 -6.716 -4.816 7.925 656 1HH2 ARG 90 HH21 ARG 90 -8.850 -2.408 6.509 657 2HH2 ARG 90 HH22 ARG 90 -8.305 -4.056 6.447 658 H MET 91 HN MET 91 -3.581 4.037 10.740 659 HA MET 91 HA MET 91 -1.403 2.812 12.081 660 1HB MET 91 HB2 MET 91 -0.225 4.902 11.796 661 2HB MET 91 HB1 MET 91 -1.107 4.527 10.323 662 1HG MET 91 HG2 MET 91 -2.789 6.143 10.844 663 2HG MET 91 HG1 MET 91 -2.089 6.425 12.436 664 1HE MET 91 HE1 MET 91 1.049 6.481 11.785 665 2HE MET 91 HE2 MET 91 0.206 7.596 12.860 666 3HE MET 91 HE3 MET 91 1.262 8.221 11.591 667 H THR 92 HN THR 92 -0.234 3.858 13.909 668 HA THR 92 HA THR 92 -2.084 4.109 16.111 669 HB THR 92 HB THR 92 -0.002 4.133 17.493 670 HG1 THR 92 HG1 THR 92 1.233 3.814 14.933 671 1HG2 THR 92 HG21 THR 92 -0.262 1.863 15.525 672 2HG2 THR 92 HG22 THR 92 -1.172 2.046 17.025 673 3HG2 THR 92 HG23 THR 92 0.572 1.786 17.078 674 HA PRO 93 HA PRO 93 -1.865 8.553 16.192 675 1HB PRO 93 HB2 PRO 93 -3.089 8.930 18.575 676 2HB PRO 93 HB1 PRO 93 -3.975 8.471 17.116 677 1HG PRO 93 HG2 PRO 93 -3.072 6.767 19.402 678 2HG PRO 93 HG1 PRO 93 -4.608 6.732 18.516 679 1HD PRO 93 HD2 PRO 93 -2.567 4.978 18.061 680 2HD PRO 93 HD1 PRO 93 -3.742 5.458 16.819 681 H HIS 94 HN HIS 94 0.082 9.438 16.537 682 HA HIS 94 HA HIS 94 1.851 8.713 18.590 683 1HB HIS 94 HB2 HIS 94 3.148 10.728 17.985 684 2HB HIS 94 HB1 HIS 94 2.703 9.768 16.586 685 HD1 HIS 94 HD1 HIS 94 3.457 12.897 16.749 686 HD2 HIS 94 HD2 HIS 94 -0.316 11.235 16.194 687 HE1 HIS 94 HE1 HIS 94 2.094 14.667 15.593 688 HE2 HIS 94 HE2 HIS 94 -0.238 13.729 15.517 689 H ASN 95 HN ASN 95 1.525 8.919 20.651 690 HA ASN 95 HA ASN 95 -0.590 10.691 21.549 691 1HB ASN 95 HB2 ASN 95 -0.625 9.335 23.548 692 2HB ASN 95 HB1 ASN 95 -0.567 8.284 22.138 693 1HD2 ASN 95 HD21 ASN 95 0.120 7.504 24.742 694 2HD2 ASN 95 HD22 ASN 95 1.805 7.101 24.751 695 H GLY 96 HN GLY 96 2.627 11.184 21.253 696 1HA GLY 96 HA2 GLY 96 2.562 13.235 23.297 697 2HA GLY 96 HA1 GLY 96 3.739 11.961 23.576 698 HA PRO 97 HA PRO 97 5.611 15.202 20.739 699 1HB PRO 97 HB2 PRO 97 7.330 16.329 22.491 700 2HB PRO 97 HB1 PRO 97 5.675 16.914 22.282 701 1HG PRO 97 HG2 PRO 97 6.808 15.150 24.414 702 2HG PRO 97 HG1 PRO 97 5.648 16.482 24.560 703 1HD PRO 97 HD2 PRO 97 4.928 13.847 24.540 704 2HD PRO 97 HD1 PRO 97 3.868 15.159 23.989 705 H ILE 98 HN ILE 98 7.169 14.346 19.544 706 HA ILE 98 HA ILE 98 9.148 12.601 20.863 707 HB ILE 98 HB ILE 98 8.099 12.384 18.037 708 1HG1 ILE 98 HG12 ILE 98 7.600 10.616 20.446 709 2HG1 ILE 98 HG11 ILE 98 6.444 11.769 19.789 710 1HG2 ILE 98 HG21 ILE 98 9.349 10.283 17.971 711 2HG2 ILE 98 HG22 ILE 98 9.955 10.590 19.599 712 3HG2 ILE 98 HG23 ILE 98 10.420 11.653 18.269 713 1HD1 ILE 98 HD11 ILE 98 5.933 9.505 19.098 714 2HD1 ILE 98 HD12 ILE 98 7.531 9.352 18.368 715 3HD1 ILE 98 HD13 ILE 98 6.366 10.502 17.708 716 HA PRO 99 HA PRO 99 11.839 15.879 19.426 717 1HB PRO 99 HB2 PRO 99 13.959 14.322 20.709 718 2HB PRO 99 HB1 PRO 99 13.360 15.935 21.104 719 1HG PRO 99 HG2 PRO 99 12.916 13.799 22.694 720 2HG PRO 99 HG1 PRO 99 11.756 15.132 22.543 721 1HD PRO 99 HD2 PRO 99 11.711 12.425 21.260 722 2HD PRO 99 HD1 PRO 99 10.378 13.359 21.974 723 H ARG 100 HN ARG 100 12.547 15.942 17.412 724 HA ARG 100 HA ARG 100 13.538 13.704 15.966 725 1HB ARG 100 HB2 ARG 100 12.506 15.457 14.722 726 2HB ARG 100 HB1 ARG 100 13.546 16.677 15.440 727 1HG ARG 100 HG2 ARG 100 14.273 16.337 13.210 728 2HG ARG 100 HG1 ARG 100 15.476 15.607 14.272 729 1HD ARG 100 HD2 ARG 100 15.177 14.045 12.562 730 2HD ARG 100 HD1 ARG 100 14.219 13.420 13.903 731 HE ARG 100 HE ARG 100 12.331 14.714 12.620 732 1HH1 ARG 100 HH11 ARG 100 14.968 12.853 11.251 733 2HH1 ARG 100 HH12 ARG 100 14.053 12.331 9.863 734 1HH2 ARG 100 HH21 ARG 100 11.139 14.089 10.764 735 2HH2 ARG 100 HH22 ARG 100 11.884 13.076 9.563 736 H TYR 101 HN TYR 101 15.368 12.754 16.700 737 HA TYR 101 HA TYR 101 17.605 14.392 17.569 738 1HB TYR 101 HB2 TYR 101 17.278 11.393 17.427 739 2HB TYR 101 HB1 TYR 101 18.703 12.213 18.056 740 HD1 TYR 101 HD1 TYR 101 18.347 13.804 20.054 741 HD2 TYR 101 HD2 TYR 101 15.494 10.897 18.832 742 HE1 TYR 101 HE1 TYR 101 17.317 13.884 22.286 743 HE2 TYR 101 HE2 TYR 101 14.458 10.971 21.058 744 HH TYR 101 HH TYR 101 15.251 13.382 23.380 745 H VAL 102 HN VAL 102 16.727 12.308 14.883 746 HA VAL 102 HA VAL 102 19.329 12.803 13.648 747 HB VAL 102 HB VAL 102 18.510 11.125 11.913 748 1HG1 VAL 102 HG11 VAL 102 18.817 10.201 14.770 749 2HG1 VAL 102 HG12 VAL 102 20.134 10.588 13.664 750 3HG1 VAL 102 HG13 VAL 102 19.076 9.218 13.329 751 1HG2 VAL 102 HG21 VAL 102 16.119 11.249 12.431 752 2HG2 VAL 102 HG22 VAL 102 16.430 10.597 14.040 753 3HG2 VAL 102 HG23 VAL 102 16.728 9.604 12.612 Start of MODEL 7 1 1H MET 1 HT1 MET 1 1.460 1.945 -0.390 2 2H MET 1 HT2 MET 1 2.577 2.460 0.776 3 3H MET 1 HT3 MET 1 1.780 0.982 0.964 4 HA MET 1 HA MET 1 3.646 1.622 -1.231 5 1HB MET 1 HB2 MET 1 4.728 1.466 1.013 6 2HB MET 1 HB1 MET 1 4.090 -0.165 1.166 7 1HG MET 1 HG2 MET 1 6.411 -0.208 0.492 8 2HG MET 1 HG1 MET 1 5.381 -0.859 -0.783 9 1HE MET 1 HE1 MET 1 8.470 0.166 -1.048 10 2HE MET 1 HE2 MET 1 8.382 0.915 -2.642 11 3HE MET 1 HE3 MET 1 7.566 -0.620 -2.342 12 H THR 2 HN THR 2 2.723 -1.312 0.565 13 HA THR 2 HA THR 2 1.675 -2.403 -1.962 14 HB THR 2 HB THR 2 2.035 -4.649 -0.989 15 HG1 THR 2 HG1 THR 2 3.566 -3.439 1.063 16 1HG2 THR 2 HG21 THR 2 4.494 -4.662 -1.102 17 2HG2 THR 2 HG22 THR 2 4.499 -2.902 -0.991 18 3HG2 THR 2 HG23 THR 2 3.782 -3.695 -2.393 19 H MET 3 HN MET 3 -0.086 -4.143 -1.477 20 HA MET 3 HA MET 3 -2.214 -2.845 -0.091 21 1HB MET 3 HB2 MET 3 -2.622 -4.239 -2.069 22 2HB MET 3 HB1 MET 3 -2.034 -5.653 -1.207 23 1HG MET 3 HG2 MET 3 -3.887 -5.457 0.375 24 2HG MET 3 HG1 MET 3 -4.478 -4.045 -0.500 25 1HE MET 3 HE1 MET 3 -3.741 -7.891 -0.695 26 2HE MET 3 HE2 MET 3 -2.879 -7.274 -2.105 27 3HE MET 3 HE3 MET 3 -4.307 -8.285 -2.318 28 H GLY 4 HN GLY 4 -0.132 -5.619 0.578 29 1HA GLY 4 HA2 GLY 4 0.462 -5.540 3.073 30 2HA GLY 4 HA1 GLY 4 -1.269 -5.742 3.293 31 H CYS 5 HN CYS 5 -0.961 -7.668 4.406 32 HA CYS 5 HA CYS 5 -0.762 -9.984 2.710 33 1HB CYS 5 HB2 CYS 5 1.003 -11.088 3.932 34 2HB CYS 5 HB1 CYS 5 1.606 -9.541 3.350 35 H ARG 6 HN ARG 6 -1.119 -12.027 4.170 36 HA ARG 6 HA ARG 6 -3.574 -11.673 5.464 37 1HB ARG 6 HB2 ARG 6 -3.201 -14.039 6.300 38 2HB ARG 6 HB1 ARG 6 -3.155 -13.801 4.560 39 1HG ARG 6 HG2 ARG 6 -0.734 -13.868 4.586 40 2HG ARG 6 HG1 ARG 6 -0.740 -14.022 6.345 41 1HD ARG 6 HD2 ARG 6 -1.724 -16.171 6.246 42 2HD ARG 6 HD1 ARG 6 -2.128 -15.985 4.539 43 HE ARG 6 HE ARG 6 0.364 -15.979 4.173 44 1HH1 ARG 6 HH11 ARG 6 -1.080 -17.598 6.931 45 2HH1 ARG 6 HH12 ARG 6 0.179 -18.795 7.045 46 1HH2 ARG 6 HH21 ARG 6 1.998 -17.549 4.300 47 2HH2 ARG 6 HH22 ARG 6 1.930 -18.772 5.545 48 H HIS 7 HN HIS 7 -0.355 -11.469 6.755 49 HA HIS 7 HA HIS 7 -0.976 -11.914 9.476 50 1HB HIS 7 HB2 HIS 7 1.246 -10.275 8.248 51 2HB HIS 7 HB1 HIS 7 1.141 -10.693 9.954 52 HD2 HIS 7 HD2 HIS 7 0.887 -13.738 10.139 53 HE1 HIS 7 HE1 HIS 7 3.749 -13.997 7.035 54 HE2 HIS 7 HE2 HIS 7 2.386 -15.314 8.720 55 H VAL 8 HN VAL 8 -1.416 -9.160 7.404 56 HA VAL 8 HA VAL 8 -1.564 -7.140 9.390 57 HB VAL 8 HB VAL 8 -3.080 -7.133 6.784 58 1HG1 VAL 8 HG11 VAL 8 -1.975 -4.889 8.457 59 2HG1 VAL 8 HG12 VAL 8 -3.672 -5.351 8.334 60 3HG1 VAL 8 HG13 VAL 8 -2.827 -4.713 6.923 61 1HG2 VAL 8 HG21 VAL 8 -1.139 -6.109 5.765 62 2HG2 VAL 8 HG22 VAL 8 -0.772 -7.728 6.362 63 3HG2 VAL 8 HG23 VAL 8 -0.237 -6.312 7.267 64 H ALA 9 HN ALA 9 -3.760 -9.537 8.208 65 HA ALA 9 HA ALA 9 -6.122 -8.366 9.208 66 1HB ALA 9 HB1 ALA 9 -6.191 -10.040 7.450 67 2HB ALA 9 HB2 ALA 9 -7.131 -10.581 8.842 68 3HB ALA 9 HB3 ALA 9 -5.525 -11.247 8.549 69 H GLY 10 HN GLY 10 -3.495 -9.797 10.757 70 1HA GLY 10 HA2 GLY 10 -5.099 -10.724 13.034 71 2HA GLY 10 HA1 GLY 10 -3.417 -11.126 12.736 72 H ILE 11 HN ILE 11 -3.246 -8.016 12.098 73 HA ILE 11 HA ILE 11 -2.411 -7.392 14.810 74 HB ILE 11 HB ILE 11 -1.457 -5.328 13.899 75 1HG1 ILE 11 HG12 ILE 11 -2.413 -6.329 11.208 76 2HG1 ILE 11 HG11 ILE 11 -3.137 -4.990 12.090 77 1HG2 ILE 11 HG21 ILE 11 0.292 -6.369 12.543 78 2HG2 ILE 11 HG22 ILE 11 -0.720 -7.798 12.336 79 3HG2 ILE 11 HG23 ILE 11 -0.126 -7.363 13.939 80 1HD1 ILE 11 HD11 ILE 11 -0.322 -5.102 11.032 81 2HD1 ILE 11 HD12 ILE 11 -1.026 -3.761 11.936 82 3HD1 ILE 11 HD13 ILE 11 -1.664 -4.186 10.347 83 H ARG 12 HN ARG 12 -3.033 -5.462 15.895 84 HA ARG 12 HA ARG 12 -5.791 -4.653 15.243 85 1HB ARG 12 HB2 ARG 12 -6.181 -4.614 17.717 86 2HB ARG 12 HB1 ARG 12 -5.881 -6.221 17.063 87 1HG ARG 12 HG2 ARG 12 -3.500 -5.980 17.768 88 2HG ARG 12 HG1 ARG 12 -3.953 -4.480 18.578 89 1HD ARG 12 HD2 ARG 12 -5.268 -7.124 19.136 90 2HD ARG 12 HD1 ARG 12 -3.865 -6.540 20.025 91 HE ARG 12 HE ARG 12 -5.964 -4.616 20.033 92 1HH1 ARG 12 HH11 ARG 12 -4.924 -7.633 21.445 93 2HH1 ARG 12 HH12 ARG 12 -5.798 -7.407 22.933 94 1HH2 ARG 12 HH21 ARG 12 -7.102 -4.271 22.013 95 2HH2 ARG 12 HH22 ARG 12 -7.046 -5.496 23.248 96 H THR 13 HN THR 13 -6.412 -2.700 16.694 97 HA THR 13 HA THR 13 -4.540 -0.574 16.255 98 HB THR 13 HB THR 13 -6.966 -0.317 18.002 99 HG1 THR 13 HG1 THR 13 -7.192 -0.150 15.182 100 1HG2 THR 13 HG21 THR 13 -5.538 1.642 17.642 101 2HG2 THR 13 HG22 THR 13 -7.123 1.869 16.903 102 3HG2 THR 13 HG23 THR 13 -5.730 1.467 15.898 103 H VAL 14 HN VAL 14 -2.779 -0.556 17.531 104 HA VAL 14 HA VAL 14 -3.050 -1.570 20.264 105 HB VAL 14 HB VAL 14 -0.557 -1.780 20.185 106 1HG1 VAL 14 HG11 VAL 14 -2.048 -3.667 19.734 107 2HG1 VAL 14 HG12 VAL 14 -0.565 -3.763 18.786 108 3HG1 VAL 14 HG13 VAL 14 -2.065 -3.237 18.023 109 1HG2 VAL 14 HG21 VAL 14 -0.940 -1.113 17.266 110 2HG2 VAL 14 HG22 VAL 14 0.557 -1.670 18.016 111 3HG2 VAL 14 HG23 VAL 14 -0.118 -0.101 18.454 112 H THR 15 HN THR 15 -2.302 -0.484 22.029 113 HA THR 15 HA THR 15 -2.212 2.398 21.787 114 HB THR 15 HB THR 15 -1.953 0.764 24.317 115 HG1 THR 15 HG1 THR 15 -4.167 1.217 22.661 116 1HG2 THR 15 HG21 THR 15 -3.030 3.537 23.788 117 2HG2 THR 15 HG22 THR 15 -1.474 3.157 24.525 118 3HG2 THR 15 HG23 THR 15 -2.971 2.738 25.358 119 HA PRO 16 HA PRO 16 2.249 2.472 21.661 120 1HB PRO 16 HB2 PRO 16 2.540 5.128 22.317 121 2HB PRO 16 HB1 PRO 16 2.178 4.535 20.694 122 1HG PRO 16 HG2 PRO 16 0.338 5.658 22.759 123 2HG PRO 16 HG1 PRO 16 0.339 5.904 21.003 124 1HD PRO 16 HD2 PRO 16 -1.390 4.234 22.226 125 2HD PRO 16 HD1 PRO 16 -0.755 3.914 20.598 126 H SER 17 HN SER 17 3.689 1.929 23.136 127 HA SER 17 HA SER 17 3.138 1.727 25.863 128 1HB SER 17 HB2 SER 17 5.918 1.850 24.691 129 2HB SER 17 HB1 SER 17 5.371 0.941 26.100 130 HG SER 17 HG SER 17 3.874 0.055 24.206 131 H ALA 18 HN ALA 18 5.101 4.097 24.095 132 HA ALA 18 HA ALA 18 4.761 6.042 26.207 133 1HB ALA 18 HB1 ALA 18 7.511 5.037 25.456 134 2HB ALA 18 HB2 ALA 18 6.703 4.782 27.003 135 3HB ALA 18 HB3 ALA 18 7.172 6.410 26.510 136 H LEU 19 HN LEU 19 6.134 8.087 25.532 137 HA LEU 19 HA LEU 19 5.287 9.002 23.030 138 1HB LEU 19 HB2 LEU 19 7.645 9.938 24.674 139 2HB LEU 19 HB1 LEU 19 6.937 10.825 23.339 140 HG LEU 19 HG LEU 19 5.534 10.158 25.927 141 1HD1 LEU 19 HD11 LEU 19 6.663 12.760 24.905 142 2HD1 LEU 19 HD12 LEU 19 7.307 11.798 26.235 143 3HD1 LEU 19 HD13 LEU 19 5.721 12.554 26.381 144 1HD2 LEU 19 HD21 LEU 19 3.997 10.288 24.042 145 2HD2 LEU 19 HD22 LEU 19 4.672 11.853 23.587 146 3HD2 LEU 19 HD23 LEU 19 3.800 11.677 25.111 147 H GLY 20 HN GLY 20 8.598 8.152 23.998 148 1HA GLY 20 HA2 GLY 20 9.207 7.572 21.178 149 2HA GLY 20 HA1 GLY 20 10.401 7.982 22.405 150 H CYS 21 HN CYS 21 11.626 6.106 22.017 151 HA CYS 21 HA CYS 21 10.423 3.520 22.259 152 1HB CYS 21 HB2 CYS 21 12.490 3.906 20.935 153 2HB CYS 21 HB1 CYS 21 13.350 4.262 22.430 154 HG CYS 21 HG CYS 21 11.913 1.385 22.874 155 H GLU 22 HN GLU 22 9.813 2.625 24.030 156 HA GLU 22 HA GLU 22 9.613 3.634 26.491 157 1HB GLU 22 HB2 GLU 22 8.475 1.639 25.885 158 2HB GLU 22 HB1 GLU 22 9.982 0.767 25.659 159 1HG GLU 22 HG2 GLU 22 10.263 1.365 28.228 160 2HG GLU 22 HG1 GLU 22 8.499 1.392 28.138 161 H GLU 23 HN GLU 23 12.116 1.113 25.953 162 HA GLU 23 HA GLU 23 13.289 1.671 28.475 163 1HB GLU 23 HB2 GLU 23 13.436 -0.553 27.589 164 2HB GLU 23 HB1 GLU 23 14.276 0.020 26.153 165 1HG GLU 23 HG2 GLU 23 16.230 0.531 27.389 166 2HG GLU 23 HG1 GLU 23 15.397 0.306 28.925 167 H CYS 24 HN CYS 24 13.983 2.812 25.242 168 HA CYS 24 HA CYS 24 16.591 3.740 25.729 169 1HB CYS 24 HB2 CYS 24 14.497 4.681 23.770 170 2HB CYS 24 HB1 CYS 24 16.155 5.273 23.787 171 HG CYS 24 HG CYS 24 16.554 3.561 21.863 172 H LEU 25 HN LEU 25 13.442 5.120 26.410 173 HA LEU 25 HA LEU 25 14.225 7.769 26.917 174 1HB LEU 25 HB2 LEU 25 11.974 6.129 28.069 175 2HB LEU 25 HB1 LEU 25 12.159 7.850 28.342 176 HG LEU 25 HG LEU 25 11.823 6.604 25.617 177 1HD1 LEU 25 HD11 LEU 25 9.825 6.257 26.981 178 2HD1 LEU 25 HD12 LEU 25 9.533 7.441 25.707 179 3HD1 LEU 25 HD13 LEU 25 9.788 7.978 27.368 180 1HD2 LEU 25 HD21 LEU 25 11.354 8.902 24.925 181 2HD2 LEU 25 HD22 LEU 25 12.976 8.749 25.600 182 3HD2 LEU 25 HD23 LEU 25 11.682 9.463 26.565 183 H LYS 26 HN LYS 26 14.533 4.882 28.844 184 HA LYS 26 HA LYS 26 14.636 6.132 31.384 185 1HB LYS 26 HB2 LYS 26 15.022 4.030 32.257 186 2HB LYS 26 HB1 LYS 26 14.263 3.619 30.729 187 1HG LYS 26 HG2 LYS 26 16.619 3.383 29.799 188 2HG LYS 26 HG1 LYS 26 17.163 3.444 31.476 189 1HD LYS 26 HD2 LYS 26 15.566 1.539 31.933 190 2HD LYS 26 HD1 LYS 26 15.362 1.408 30.184 191 1HE LYS 26 HE2 LYS 26 17.753 1.018 29.923 192 2HE LYS 26 HE1 LYS 26 17.980 1.175 31.663 193 1HZ LYS 26 HZ1 LYS 26 16.471 -0.957 30.239 194 2HZ LYS 26 HZ2 LYS 26 16.456 -0.752 31.923 195 3HZ LYS 26 HZ3 LYS 26 17.905 -1.129 31.129 196 H ILE 27 HN ILE 27 16.969 5.773 28.869 197 HA ILE 27 HA ILE 27 19.054 6.808 30.676 198 HB ILE 27 HB ILE 27 20.733 5.573 29.277 199 1HG1 ILE 27 HG12 ILE 27 18.286 4.052 28.345 200 2HG1 ILE 27 HG11 ILE 27 19.245 5.141 27.348 201 1HG2 ILE 27 HG21 ILE 27 20.146 4.809 31.499 202 2HG2 ILE 27 HG22 ILE 27 20.405 3.429 30.431 203 3HG2 ILE 27 HG23 ILE 27 18.766 3.922 30.852 204 1HD1 ILE 27 HD11 ILE 27 20.198 2.574 28.595 205 2HD1 ILE 27 HD12 ILE 27 21.178 3.667 27.617 206 3HD1 ILE 27 HD13 ILE 27 19.802 2.832 26.896 207 H GLY 28 HN GLY 28 17.154 7.658 28.217 208 1HA GLY 28 HA2 GLY 28 17.287 9.223 26.535 209 2HA GLY 28 HA1 GLY 28 18.794 9.755 27.272 210 H SER 29 HN SER 29 17.870 6.672 25.813 211 HA SER 29 HA SER 29 20.378 6.505 24.406 212 1HB SER 29 HB2 SER 29 19.333 4.519 25.445 213 2HB SER 29 HB1 SER 29 17.958 4.677 24.357 214 HG SER 29 HG SER 29 20.509 4.511 23.225 215 HA PRO 30 HA PRO 30 18.721 8.841 20.968 216 1HB PRO 30 HB2 PRO 30 21.253 8.000 19.690 217 2HB PRO 30 HB1 PRO 30 20.614 9.624 19.964 218 1HG PRO 30 HG2 PRO 30 22.662 8.690 21.401 219 2HG PRO 30 HG1 PRO 30 21.415 9.717 22.133 220 1HD PRO 30 HD2 PRO 30 21.755 6.746 22.296 221 2HD PRO 30 HD1 PRO 30 21.302 7.900 23.569 222 H TRP 31 HN TRP 31 17.235 8.000 19.676 223 HA TRP 31 HA TRP 31 17.867 5.523 18.231 224 1HB TRP 31 HB2 TRP 31 15.401 5.298 17.915 225 2HB TRP 31 HB1 TRP 31 15.911 5.217 19.595 226 HD1 TRP 31 HD1 TRP 31 14.335 7.797 17.147 227 HE1 TRP 31 HE1 TRP 31 12.801 9.339 18.522 228 HE3 TRP 31 HE3 TRP 31 15.312 5.966 21.820 229 HZ2 TRP 31 HZ2 TRP 31 12.087 9.715 21.224 230 HZ3 TRP 31 HZ3 TRP 31 14.155 6.969 23.745 231 HH2 TRP 31 HH2 TRP 31 12.577 8.806 23.450 232 H VAL 32 HN VAL 32 17.154 5.356 16.031 233 HA VAL 32 HA VAL 32 17.406 7.881 14.594 234 HB VAL 32 HB VAL 32 17.265 5.047 13.540 235 1HG1 VAL 32 HG11 VAL 32 17.999 7.616 12.139 236 2HG1 VAL 32 HG12 VAL 32 16.539 6.662 11.873 237 3HG1 VAL 32 HG13 VAL 32 18.116 5.998 11.444 238 1HG2 VAL 32 HG21 VAL 32 19.257 5.404 14.892 239 2HG2 VAL 32 HG22 VAL 32 19.649 6.847 13.956 240 3HG2 VAL 32 HG23 VAL 32 19.678 5.261 13.186 241 H HIS 33 HN HIS 33 15.284 5.021 14.442 242 HA HIS 33 HA HIS 33 13.012 6.817 14.039 243 1HB HIS 33 HB2 HIS 33 13.768 4.491 12.281 244 2HB HIS 33 HB1 HIS 33 12.105 5.056 12.391 245 HD1 HIS 33 HD1 HIS 33 14.851 5.396 10.252 246 HD2 HIS 33 HD2 HIS 33 12.196 8.117 11.935 247 HE1 HIS 33 HE1 HIS 33 14.979 7.449 8.810 248 HE2 HIS 33 HE2 HIS 33 13.540 9.152 9.985 249 H LEU 34 HN LEU 34 11.002 5.974 14.655 250 HA LEU 34 HA LEU 34 11.237 3.808 16.646 251 1HB LEU 34 HB2 LEU 34 9.338 6.148 16.507 252 2HB LEU 34 HB1 LEU 34 9.230 4.857 17.689 253 HG LEU 34 HG LEU 34 11.557 6.757 17.410 254 1HD1 LEU 34 HD11 LEU 34 10.733 7.733 19.484 255 2HD1 LEU 34 HD12 LEU 34 9.346 6.643 19.455 256 3HD1 LEU 34 HD13 LEU 34 9.531 7.869 18.201 257 1HD2 LEU 34 HD21 LEU 34 12.212 4.575 18.266 258 2HD2 LEU 34 HD22 LEU 34 10.926 4.647 19.471 259 3HD2 LEU 34 HD23 LEU 34 12.269 5.788 19.544 260 H ARG 35 HN ARG 35 9.999 2.059 16.433 261 HA ARG 35 HA ARG 35 7.773 2.184 14.530 262 1HB ARG 35 HB2 ARG 35 9.806 -0.050 14.723 263 2HB ARG 35 HB1 ARG 35 8.370 -0.063 13.705 264 1HG ARG 35 HG2 ARG 35 9.234 1.886 12.482 265 2HG ARG 35 HG1 ARG 35 10.683 1.860 13.487 266 1HD ARG 35 HD2 ARG 35 11.156 -0.426 12.656 267 2HD ARG 35 HD1 ARG 35 9.764 -0.290 11.583 268 HE ARG 35 HE ARG 35 11.745 1.806 11.313 269 1HH1 ARG 35 HH11 ARG 35 10.640 -1.318 10.159 270 2HH1 ARG 35 HH12 ARG 35 11.469 -1.183 8.637 271 1HH2 ARG 35 HH21 ARG 35 12.847 1.964 9.312 272 2HH2 ARG 35 HH22 ARG 35 12.704 0.664 8.158 273 H ILE 36 HN ILE 36 5.941 1.435 15.296 274 HA ILE 36 HA ILE 36 5.980 0.276 17.991 275 HB ILE 36 HB ILE 36 4.635 2.278 17.798 276 1HG1 ILE 36 HG12 ILE 36 2.849 -0.157 17.981 277 2HG1 ILE 36 HG11 ILE 36 3.867 0.446 19.284 278 1HG2 ILE 36 HG21 ILE 36 2.606 2.322 16.367 279 2HG2 ILE 36 HG22 ILE 36 3.160 0.831 15.604 280 3HG2 ILE 36 HG23 ILE 36 4.119 2.305 15.460 281 1HD1 ILE 36 HD11 ILE 36 1.579 1.928 18.011 282 2HD1 ILE 36 HD12 ILE 36 2.588 2.516 19.332 283 3HD1 ILE 36 HD13 ILE 36 1.549 1.111 19.574 284 H CYS 37 HN CYS 37 5.570 -1.709 18.327 285 HA CYS 37 HA CYS 37 5.081 -3.569 16.251 286 1HB CYS 37 HB2 CYS 37 6.369 -4.063 18.264 287 2HB CYS 37 HB1 CYS 37 4.938 -3.826 19.251 288 H ARG 38 HN ARG 38 3.164 -3.677 15.238 289 HA ARG 38 HA ARG 38 0.756 -2.664 16.372 290 1HB ARG 38 HB2 ARG 38 1.321 -4.181 13.832 291 2HB ARG 38 HB1 ARG 38 -0.279 -3.600 14.264 292 1HG ARG 38 HG2 ARG 38 2.127 -1.819 13.982 293 2HG ARG 38 HG1 ARG 38 0.976 -2.140 12.685 294 1HD ARG 38 HD2 ARG 38 0.350 -0.882 15.357 295 2HD ARG 38 HD1 ARG 38 0.456 -0.043 13.810 296 HE ARG 38 HE ARG 38 -1.559 -2.142 14.295 297 1HH1 ARG 38 HH11 ARG 38 -0.688 1.097 13.273 298 2HH1 ARG 38 HH12 ARG 38 -2.293 1.479 12.719 299 1HH2 ARG 38 HH21 ARG 38 -3.674 -1.625 13.556 300 2HH2 ARG 38 HH22 ARG 38 -3.976 -0.045 12.904 301 H THR 39 HN THR 39 2.198 -5.412 17.214 302 HA THR 39 HA THR 39 -0.226 -7.049 17.193 303 HB THR 39 HB THR 39 2.463 -7.957 18.192 304 HG1 THR 39 HG1 THR 39 1.558 -8.174 15.498 305 1HG2 THR 39 HG21 THR 39 0.560 -9.413 18.639 306 2HG2 THR 39 HG22 THR 39 1.636 -10.150 17.451 307 3HG2 THR 39 HG23 THR 39 0.130 -9.398 16.928 308 H CYS 40 HN CYS 40 1.851 -5.273 19.360 309 HA CYS 40 HA CYS 40 0.083 -5.986 21.573 310 1HB CYS 40 HB2 CYS 40 1.876 -6.598 23.061 311 2HB CYS 40 HB1 CYS 40 2.036 -7.552 21.594 312 H GLY 41 HN GLY 41 1.608 -3.609 19.853 313 1HA GLY 41 HA2 GLY 41 1.409 -1.334 20.183 314 2HA GLY 41 HA1 GLY 41 0.799 -1.651 21.797 315 H HIS 42 HN HIS 42 3.786 -3.187 21.104 316 HA HIS 42 HA HIS 42 5.046 -1.450 23.047 317 1HB HIS 42 HB2 HIS 42 5.297 -4.087 22.690 318 2HB HIS 42 HB1 HIS 42 6.621 -3.558 21.657 319 HD1 HIS 42 HD1 HIS 42 5.779 -4.258 25.109 320 HD2 HIS 42 HD2 HIS 42 8.567 -1.886 23.131 321 HE1 HIS 42 HE1 HIS 42 7.540 -3.711 26.817 322 HE2 HIS 42 HE2 HIS 42 9.107 -2.116 25.660 323 H VAL 43 HN VAL 43 6.011 0.347 22.486 324 HA VAL 43 HA VAL 43 6.842 0.804 19.740 325 HB VAL 43 HB VAL 43 6.999 2.662 22.124 326 1HG1 VAL 43 HG11 VAL 43 7.293 3.192 19.169 327 2HG1 VAL 43 HG12 VAL 43 8.558 3.310 20.393 328 3HG1 VAL 43 HG13 VAL 43 7.199 4.434 20.417 329 1HG2 VAL 43 HG21 VAL 43 5.001 3.729 21.196 330 2HG2 VAL 43 HG22 VAL 43 4.695 2.048 21.631 331 3HG2 VAL 43 HG23 VAL 43 4.926 2.492 19.941 332 H GLY 44 HN GLY 44 8.852 0.525 19.026 333 1HA GLY 44 HA2 GLY 44 11.073 0.755 20.927 334 2HA GLY 44 HA1 GLY 44 10.908 -0.732 20.004 335 H CYS 45 HN CYS 45 13.094 1.163 19.985 336 HA CYS 45 HA CYS 45 13.024 2.575 17.507 337 1HB CYS 45 HB2 CYS 45 15.447 2.850 17.858 338 2HB CYS 45 HB1 CYS 45 14.539 3.250 19.311 339 HG CYS 45 HG CYS 45 16.625 0.641 18.741 340 H CYS 46 HN CYS 46 13.825 1.962 15.519 341 HA CYS 46 HA CYS 46 13.702 -0.832 14.955 342 1HB CYS 46 HB2 CYS 46 14.253 -0.105 12.625 343 2HB CYS 46 HB1 CYS 46 12.864 0.720 13.325 344 HG CYS 46 HG CYS 46 15.232 2.098 11.788 345 H ASP 47 HN ASP 47 15.525 -1.570 13.225 346 HA ASP 47 HA ASP 47 17.831 -1.947 14.881 347 1HB ASP 47 HB2 ASP 47 18.594 -3.489 13.187 348 2HB ASP 47 HB1 ASP 47 16.877 -3.754 13.467 349 H ASP 48 HN ASP 48 16.941 0.382 12.629 350 HA ASP 48 HA ASP 48 19.455 1.178 11.629 351 1HB ASP 48 HB2 ASP 48 17.065 2.893 12.357 352 2HB ASP 48 HB1 ASP 48 18.441 3.430 11.401 353 H SER 49 HN SER 49 17.947 1.399 14.715 354 HA SER 49 HA SER 49 19.917 3.310 15.728 355 1HB SER 49 HB2 SER 49 17.657 2.029 17.270 356 2HB SER 49 HB1 SER 49 18.504 3.536 17.628 357 HG SER 49 HG SER 49 17.154 3.276 15.187 358 HA PRO 50 HA PRO 50 22.679 0.203 17.097 359 1HB PRO 50 HB2 PRO 50 23.482 1.362 19.496 360 2HB PRO 50 HB1 PRO 50 24.166 1.708 17.906 361 1HG PRO 50 HG2 PRO 50 22.110 3.216 19.457 362 2HG PRO 50 HG1 PRO 50 23.433 3.833 18.450 363 1HD PRO 50 HD2 PRO 50 20.912 3.824 17.562 364 2HD PRO 50 HD1 PRO 50 22.267 3.457 16.473 365 H HIS 51 HN HIS 51 20.215 1.302 19.357 366 HA HIS 51 HA HIS 51 20.645 -0.775 21.271 367 1HB HIS 51 HB2 HIS 51 19.355 1.582 21.388 368 2HB HIS 51 HB1 HIS 51 17.981 0.529 21.091 369 HD1 HIS 51 HD1 HIS 51 18.839 2.151 23.797 370 HD2 HIS 51 HD2 HIS 51 19.009 -1.946 23.096 371 HE1 HIS 51 HE1 HIS 51 18.638 1.066 26.064 372 HE2 HIS 51 HE2 HIS 51 18.996 -1.398 25.628 373 H LYS 52 HN LYS 52 18.869 -0.493 18.333 374 HA LYS 52 HA LYS 52 17.331 -1.792 17.247 375 1HB LYS 52 HB2 LYS 52 19.244 -3.915 18.224 376 2HB LYS 52 HB1 LYS 52 18.147 -4.069 16.861 377 1HG LYS 52 HG2 LYS 52 19.330 -2.198 15.754 378 2HG LYS 52 HG1 LYS 52 20.476 -2.178 17.093 379 1HD LYS 52 HD2 LYS 52 19.950 -4.580 15.352 380 2HD LYS 52 HD1 LYS 52 21.256 -3.426 15.079 381 1HE LYS 52 HE2 LYS 52 22.145 -3.938 17.316 382 2HE LYS 52 HE1 LYS 52 20.861 -5.127 17.538 383 1HZ LYS 52 HZ1 LYS 52 21.722 -6.402 15.714 384 2HZ LYS 52 HZ2 LYS 52 22.979 -6.111 16.813 385 3HZ LYS 52 HZ3 LYS 52 22.890 -5.223 15.370 386 H HIS 53 HN HIS 53 15.799 -1.271 19.204 387 HA HIS 53 HA HIS 53 15.198 -3.507 20.900 388 1HB HIS 53 HB2 HIS 53 14.051 -0.789 20.507 389 2HB HIS 53 HB1 HIS 53 13.028 -2.014 21.252 390 HD1 HIS 53 HD1 HIS 53 14.641 0.639 22.469 391 HD2 HIS 53 HD2 HIS 53 15.220 -3.405 23.220 392 HE1 HIS 53 HE1 HIS 53 15.747 0.522 24.719 393 HE2 HIS 53 HE2 HIS 53 15.877 -1.938 25.254 394 H ALA 54 HN ALA 54 13.807 -2.156 17.952 395 HA ALA 54 HA ALA 54 11.382 -3.554 17.988 396 1HB ALA 54 HB1 ALA 54 11.877 -1.625 16.530 397 2HB ALA 54 HB2 ALA 54 11.186 -2.991 15.654 398 3HB ALA 54 HB3 ALA 54 12.916 -2.662 15.552 399 H THR 55 HN THR 55 14.536 -4.484 16.701 400 HA THR 55 HA THR 55 13.564 -6.825 15.385 401 HB THR 55 HB THR 55 16.062 -7.370 15.273 402 HG1 THR 55 HG1 THR 55 17.457 -5.764 15.907 403 1HG2 THR 55 HG21 THR 55 14.847 -6.356 13.417 404 2HG2 THR 55 HG22 THR 55 16.461 -5.659 13.554 405 3HG2 THR 55 HG23 THR 55 15.060 -4.759 14.135 406 H ARG 56 HN ARG 56 15.429 -6.251 18.361 407 HA ARG 56 HA ARG 56 15.671 -8.963 19.086 408 1HB ARG 56 HB2 ARG 56 15.686 -6.523 20.876 409 2HB ARG 56 HB1 ARG 56 16.267 -8.123 21.321 410 1HG ARG 56 HG2 ARG 56 18.011 -7.986 19.642 411 2HG ARG 56 HG1 ARG 56 17.402 -6.417 19.114 412 1HD ARG 56 HD2 ARG 56 19.232 -5.936 20.507 413 2HD ARG 56 HD1 ARG 56 17.804 -5.624 21.491 414 HE ARG 56 HE ARG 56 18.697 -8.284 21.884 415 1HH1 ARG 56 HH11 ARG 56 19.473 -4.965 22.708 416 2HH1 ARG 56 HH12 ARG 56 20.358 -5.399 24.137 417 1HH2 ARG 56 HH21 ARG 56 19.881 -8.840 23.755 418 2HH2 ARG 56 HH22 ARG 56 20.584 -7.583 24.732 419 H HIS 57 HN HIS 57 13.130 -6.621 19.511 420 HA HIS 57 HA HIS 57 11.607 -8.058 21.417 421 1HB HIS 57 HB2 HIS 57 11.174 -5.702 21.019 422 2HB HIS 57 HB1 HIS 57 10.754 -6.029 19.341 423 HD1 HIS 57 HD1 HIS 57 9.408 -6.431 22.850 424 HD2 HIS 57 HD2 HIS 57 8.193 -6.918 18.895 425 HE1 HIS 57 HE1 HIS 57 6.909 -6.846 22.907 426 H PHE 58 HN PHE 58 11.534 -7.967 17.860 427 HA PHE 58 HA PHE 58 9.386 -9.739 17.495 428 1HB PHE 58 HB2 PHE 58 10.149 -8.481 15.609 429 2HB PHE 58 HB1 PHE 58 11.781 -9.121 15.760 430 HD1 PHE 58 HD1 PHE 58 8.392 -10.699 15.598 431 HD2 PHE 58 HD2 PHE 58 12.307 -10.438 13.982 432 HE1 PHE 58 HE1 PHE 58 7.850 -12.495 14.007 433 HE2 PHE 58 HE2 PHE 58 11.782 -12.232 12.386 434 HZ PHE 58 HZ PHE 58 9.547 -13.267 12.399 435 H HIS 59 HN HIS 59 12.849 -10.296 17.823 436 HA HIS 59 HA HIS 59 12.862 -13.063 17.395 437 1HB HIS 59 HB2 HIS 59 14.885 -11.659 17.413 438 2HB HIS 59 HB1 HIS 59 14.692 -11.398 19.142 439 HD1 HIS 59 HD1 HIS 59 15.719 -13.090 20.674 440 HD2 HIS 59 HD2 HIS 59 15.564 -14.389 16.724 441 HE1 HIS 59 HE1 HIS 59 17.043 -15.233 20.608 442 HE2 HIS 59 HE2 HIS 59 16.747 -16.104 18.257 443 H ALA 60 HN ALA 60 11.883 -11.197 20.152 444 HA ALA 60 HA ALA 60 12.041 -13.487 21.945 445 1HB ALA 60 HB1 ALA 60 12.814 -11.311 22.742 446 2HB ALA 60 HB2 ALA 60 11.466 -11.915 23.707 447 3HB ALA 60 HB3 ALA 60 11.196 -10.650 22.507 448 H THR 61 HN THR 61 9.543 -11.270 20.683 449 HA THR 61 HA THR 61 7.492 -12.841 22.046 450 HB THR 61 HB THR 61 5.943 -11.035 21.125 451 HG1 THR 61 HG1 THR 61 8.469 -9.814 20.583 452 1HG2 THR 61 HG21 THR 61 6.736 -11.094 23.458 453 2HG2 THR 61 HG22 THR 61 6.539 -9.446 22.861 454 3HG2 THR 61 HG23 THR 61 8.153 -10.154 22.987 455 H GLY 62 HN GLY 62 8.817 -12.518 18.892 456 1HA GLY 62 HA2 GLY 62 8.250 -13.552 16.911 457 2HA GLY 62 HA1 GLY 62 7.021 -14.449 17.795 458 H HIS 63 HN HIS 63 7.364 -10.950 17.467 459 HA HIS 63 HA HIS 63 4.674 -10.884 16.271 460 1HB HIS 63 HB2 HIS 63 6.155 -8.807 17.897 461 2HB HIS 63 HB1 HIS 63 4.630 -8.500 17.077 462 HD2 HIS 63 HD2 HIS 63 3.722 -11.737 18.252 463 HE1 HIS 63 HE1 HIS 63 3.342 -9.318 21.712 464 HE2 HIS 63 HE2 HIS 63 2.834 -11.597 20.693 465 HA PRO 64 HA PRO 64 7.407 -9.867 12.898 466 1HB PRO 64 HB2 PRO 64 5.905 -10.802 10.910 467 2HB PRO 64 HB1 PRO 64 6.645 -11.886 12.094 468 1HG PRO 64 HG2 PRO 64 3.823 -10.922 11.909 469 2HG PRO 64 HG1 PRO 64 4.433 -12.532 12.330 470 1HD PRO 64 HD2 PRO 64 3.618 -10.594 14.151 471 2HD PRO 64 HD1 PRO 64 4.656 -11.981 14.527 472 H ILE 65 HN ILE 65 4.767 -8.025 13.703 473 HA ILE 65 HA ILE 65 5.126 -6.415 11.267 474 HB ILE 65 HB ILE 65 2.502 -6.953 12.646 475 1HG1 ILE 65 HG12 ILE 65 3.558 -7.464 9.858 476 2HG1 ILE 65 HG11 ILE 65 3.101 -8.667 11.059 477 1HG2 ILE 65 HG21 ILE 65 1.523 -5.381 10.989 478 2HG2 ILE 65 HG22 ILE 65 3.157 -4.908 10.523 479 3HG2 ILE 65 HG23 ILE 65 2.580 -4.591 12.159 480 1HD1 ILE 65 HD11 ILE 65 0.770 -7.925 10.882 481 2HD1 ILE 65 HD12 ILE 65 1.416 -8.497 9.344 482 3HD1 ILE 65 HD13 ILE 65 1.251 -6.767 9.642 483 H ILE 66 HN ILE 66 5.696 -4.427 11.550 484 HA ILE 66 HA ILE 66 5.038 -3.041 14.058 485 HB ILE 66 HB ILE 66 7.255 -1.917 13.967 486 1HG1 ILE 66 HG12 ILE 66 7.916 -4.072 11.947 487 2HG1 ILE 66 HG11 ILE 66 7.721 -2.362 11.576 488 1HG2 ILE 66 HG21 ILE 66 6.848 -3.772 15.495 489 2HG2 ILE 66 HG22 ILE 66 8.518 -3.772 14.925 490 3HG2 ILE 66 HG23 ILE 66 7.355 -4.914 14.250 491 1HD1 ILE 66 HD11 ILE 66 10.060 -2.962 11.719 492 2HD1 ILE 66 HD12 ILE 66 9.824 -3.558 13.362 493 3HD1 ILE 66 HD13 ILE 66 9.624 -1.841 13.010 494 H GLU 67 HN GLU 67 4.812 -0.778 13.849 495 HA GLU 67 HA GLU 67 4.457 0.137 11.070 496 1HB GLU 67 HB2 GLU 67 2.326 -0.073 12.151 497 2HB GLU 67 HB1 GLU 67 2.902 0.772 13.578 498 1HG GLU 67 HG2 GLU 67 3.051 2.837 12.335 499 2HG GLU 67 HG1 GLU 67 2.581 2.003 10.854 500 H GLY 68 HN GLY 68 5.195 2.182 10.514 501 1HA GLY 68 HA2 GLY 68 7.346 3.273 12.022 502 2HA GLY 68 HA1 GLY 68 6.576 4.025 10.629 503 H TYR 69 HN TYR 69 7.054 4.225 13.946 504 HA TYR 69 HA TYR 69 4.490 5.506 14.480 505 1HB TYR 69 HB2 TYR 69 5.352 3.807 16.064 506 2HB TYR 69 HB1 TYR 69 6.730 4.849 16.401 507 HD1 TYR 69 HD1 TYR 69 6.559 5.773 18.510 508 HD2 TYR 69 HD2 TYR 69 3.046 5.447 16.132 509 HE1 TYR 69 HE1 TYR 69 5.270 6.914 20.267 510 HE2 TYR 69 HE2 TYR 69 1.749 6.586 17.881 511 HH TYR 69 HH TYR 69 3.297 7.989 20.704 512 H ASP 70 HN ASP 70 7.968 6.290 14.586 513 HA ASP 70 HA ASP 70 7.529 8.882 15.646 514 1HB ASP 70 HB2 ASP 70 9.823 9.288 15.469 515 2HB ASP 70 HB1 ASP 70 9.720 7.553 15.711 516 HA PRO 71 HA PRO 71 7.338 10.521 11.246 517 1HB PRO 71 HB2 PRO 71 7.236 8.696 9.160 518 2HB PRO 71 HB1 PRO 71 8.693 9.516 9.721 519 1HG PRO 71 HG2 PRO 71 8.090 6.737 9.884 520 2HG PRO 71 HG1 PRO 71 9.511 7.575 10.527 521 1HD PRO 71 HD2 PRO 71 7.033 6.716 11.910 522 2HD PRO 71 HD1 PRO 71 8.670 6.951 12.559 523 HA PRO 72 HA PRO 72 2.901 9.716 11.339 524 1HB PRO 72 HB2 PRO 72 2.656 12.347 10.094 525 2HB PRO 72 HB1 PRO 72 2.131 11.817 11.693 526 1HG PRO 72 HG2 PRO 72 4.181 13.544 11.336 527 2HG PRO 72 HG1 PRO 72 4.123 12.394 12.683 528 1HD PRO 72 HD2 PRO 72 5.640 12.215 10.105 529 2HD PRO 72 HD1 PRO 72 6.169 11.813 11.754 530 H GLU 73 HN GLU 73 4.349 8.577 9.196 531 HA GLU 73 HA GLU 73 3.095 9.481 6.733 532 1HB GLU 73 HB2 GLU 73 4.918 7.120 7.234 533 2HB GLU 73 HB1 GLU 73 4.436 7.737 5.660 534 1HG GLU 73 HG2 GLU 73 5.611 9.815 6.091 535 2HG GLU 73 HG1 GLU 73 6.053 9.245 7.700 536 H GLY 74 HN GLY 74 3.213 6.493 8.669 537 1HA GLY 74 HA2 GLY 74 1.314 5.178 9.196 538 2HA GLY 74 HA1 GLY 74 0.459 5.921 7.853 539 H TRP 75 HN TRP 75 3.146 3.728 8.591 540 HA TRP 75 HA TRP 75 2.260 2.006 6.429 541 1HB TRP 75 HB2 TRP 75 4.644 1.732 5.622 542 2HB TRP 75 HB1 TRP 75 3.877 3.261 5.218 543 HD1 TRP 75 HD1 TRP 75 4.946 5.454 6.166 544 HE1 TRP 75 HE1 TRP 75 7.146 5.969 7.401 545 HE3 TRP 75 HE3 TRP 75 6.303 0.680 7.415 546 HZ2 TRP 75 HZ2 TRP 75 9.176 4.535 8.733 547 HZ3 TRP 75 HZ3 TRP 75 8.391 0.342 8.670 548 HH2 TRP 75 HH2 TRP 75 9.797 2.231 9.314 549 H GLY 76 HN GLY 76 2.899 -0.150 6.639 550 1HA GLY 76 HA2 GLY 76 4.039 -0.798 9.289 551 2HA GLY 76 HA1 GLY 76 2.727 -1.712 8.558 552 H TRP 77 HN TRP 77 5.576 -2.335 9.427 553 HA TRP 77 HA TRP 77 6.499 -3.509 6.882 554 1HB TRP 77 HB2 TRP 77 8.099 -1.931 7.924 555 2HB TRP 77 HB1 TRP 77 8.094 -2.906 9.388 556 HD1 TRP 77 HD1 TRP 77 9.574 -5.104 9.403 557 HE1 TRP 77 HE1 TRP 77 11.366 -6.032 7.793 558 HE3 TRP 77 HE3 TRP 77 8.707 -2.062 5.385 559 HZ2 TRP 77 HZ2 TRP 77 12.280 -5.530 5.176 560 HZ3 TRP 77 HZ3 TRP 77 10.086 -2.350 3.368 561 HH2 TRP 77 HH2 TRP 77 11.835 -4.049 3.268 562 H CYS 78 HN CYS 78 6.685 -5.671 6.743 563 HA CYS 78 HA CYS 78 6.004 -7.226 9.155 564 1HB CYS 78 HB2 CYS 78 4.443 -7.232 7.106 565 2HB CYS 78 HB1 CYS 78 5.687 -8.182 6.314 566 H TYR 79 HN TYR 79 7.744 -8.173 10.004 567 HA TYR 79 HA TYR 79 10.286 -8.121 8.943 568 1HB TYR 79 HB2 TYR 79 9.076 -9.880 11.057 569 2HB TYR 79 HB1 TYR 79 10.781 -9.977 10.640 570 HD1 TYR 79 HD1 TYR 79 12.085 -7.706 10.721 571 HD2 TYR 79 HD2 TYR 79 8.405 -8.419 12.735 572 HE1 TYR 79 HE1 TYR 79 12.590 -5.879 12.285 573 HE2 TYR 79 HE2 TYR 79 8.898 -6.589 14.297 574 HH TYR 79 HH TYR 79 10.964 -5.434 15.166 575 H VAL 80 HN VAL 80 8.266 -11.063 9.160 576 HA VAL 80 HA VAL 80 10.175 -12.657 7.801 577 HB VAL 80 HB VAL 80 8.366 -14.380 7.700 578 1HG1 VAL 80 HG11 VAL 80 9.895 -14.224 9.597 579 2HG1 VAL 80 HG12 VAL 80 8.291 -14.746 10.110 580 3HG1 VAL 80 HG13 VAL 80 8.806 -13.082 10.386 581 1HG2 VAL 80 HG21 VAL 80 6.421 -12.953 7.507 582 2HG2 VAL 80 HG22 VAL 80 6.752 -12.241 9.086 583 3HG2 VAL 80 HG23 VAL 80 6.292 -13.940 8.963 584 H ASP 81 HN ASP 81 7.703 -10.581 6.662 585 HA ASP 81 HA ASP 81 7.534 -11.855 4.049 586 1HB ASP 81 HB2 ASP 81 6.329 -9.265 5.042 587 2HB ASP 81 HB1 ASP 81 5.999 -10.010 3.487 588 H GLU 82 HN GLU 82 8.923 -9.068 5.617 589 HA GLU 82 HA GLU 82 10.398 -7.477 5.013 590 1HB GLU 82 HB2 GLU 82 11.022 -9.395 2.768 591 2HB GLU 82 HB1 GLU 82 11.947 -7.940 3.114 592 1HG GLU 82 HG2 GLU 82 12.419 -8.834 5.371 593 2HG GLU 82 HG1 GLU 82 11.599 -10.326 4.910 594 H VAL 83 HN VAL 83 7.672 -7.415 4.146 595 HA VAL 83 HA VAL 83 7.976 -5.589 1.862 596 HB VAL 83 HB VAL 83 5.671 -6.026 1.212 597 1HG1 VAL 83 HG11 VAL 83 7.387 -7.386 0.185 598 2HG1 VAL 83 HG12 VAL 83 5.913 -8.329 0.402 599 3HG1 VAL 83 HG13 VAL 83 7.276 -8.560 1.496 600 1HG2 VAL 83 HG21 VAL 83 4.357 -7.831 2.224 601 2HG2 VAL 83 HG22 VAL 83 4.716 -6.556 3.389 602 3HG2 VAL 83 HG23 VAL 83 5.620 -8.070 3.433 603 H MET 84 HN MET 84 6.862 -3.649 1.937 604 HA MET 84 HA MET 84 5.854 -2.890 4.605 605 1HB MET 84 HB2 MET 84 7.845 -1.632 3.863 606 2HB MET 84 HB1 MET 84 6.988 -1.137 2.410 607 1HG MET 84 HG2 MET 84 5.318 -0.003 3.868 608 2HG MET 84 HG1 MET 84 6.349 -0.377 5.248 609 1HE MET 84 HE1 MET 84 9.288 0.009 3.910 610 2HE MET 84 HE2 MET 84 8.812 0.524 5.528 611 3HE MET 84 HE3 MET 84 9.586 1.668 4.433 612 H PHE 85 HN PHE 85 3.753 -2.313 4.775 613 HA PHE 85 HA PHE 85 2.311 -1.784 2.260 614 1HB PHE 85 HB2 PHE 85 0.288 -2.779 3.366 615 2HB PHE 85 HB1 PHE 85 1.575 -3.923 3.013 616 HD1 PHE 85 HD1 PHE 85 -0.311 -2.228 5.633 617 HD2 PHE 85 HD2 PHE 85 2.847 -4.955 4.797 618 HE1 PHE 85 HE1 PHE 85 -0.368 -3.006 7.966 619 HE2 PHE 85 HE2 PHE 85 2.796 -5.732 7.130 620 HZ PHE 85 HZ PHE 85 1.194 -4.752 8.719 621 H ASP 86 HN ASP 86 0.117 -0.680 2.750 622 HA ASP 86 HA ASP 86 0.893 1.788 4.081 623 1HB ASP 86 HB2 ASP 86 -0.026 1.899 1.803 624 2HB ASP 86 HB1 ASP 86 -1.526 1.172 2.373 625 H LEU 87 HN LEU 87 0.031 2.584 5.870 626 HA LEU 87 HA LEU 87 -2.444 1.419 6.936 627 1HB LEU 87 HB2 LEU 87 0.149 1.834 8.422 628 2HB LEU 87 HB1 LEU 87 -1.392 1.670 9.241 629 HG LEU 87 HG LEU 87 -0.163 -0.431 7.454 630 1HD1 LEU 87 HD11 LEU 87 0.240 -1.654 9.537 631 2HD1 LEU 87 HD12 LEU 87 -0.336 -0.266 10.460 632 3HD1 LEU 87 HD13 LEU 87 1.132 -0.133 9.492 633 1HD2 LEU 87 HD21 LEU 87 -2.600 -0.513 7.495 634 2HD2 LEU 87 HD22 LEU 87 -2.581 -0.500 9.259 635 3HD2 LEU 87 HD23 LEU 87 -1.912 -1.876 8.380 636 H SER 88 HN SER 88 -1.827 3.890 5.486 637 HA SER 88 HA SER 88 -1.386 6.068 7.185 638 1HB SER 88 HB2 SER 88 -2.391 7.422 5.297 639 2HB SER 88 HB1 SER 88 -1.045 6.374 4.852 640 HG SER 88 HG SER 88 -2.539 4.877 4.027 641 H ASP 89 HN ASP 89 -4.380 4.413 6.344 642 HA ASP 89 HA ASP 89 -5.933 6.442 7.771 643 1HB ASP 89 HB2 ASP 89 -6.625 4.207 5.922 644 2HB ASP 89 HB1 ASP 89 -7.841 4.745 7.075 645 H ARG 90 HN ARG 90 -4.203 3.823 8.680 646 HA ARG 90 HA ARG 90 -6.056 3.218 10.894 647 1HB ARG 90 HB2 ARG 90 -4.339 1.118 9.572 648 2HB ARG 90 HB1 ARG 90 -5.632 0.877 10.738 649 1HG ARG 90 HG2 ARG 90 -7.257 1.648 9.058 650 2HG ARG 90 HG1 ARG 90 -5.943 1.813 7.892 651 1HD ARG 90 HD2 ARG 90 -5.452 -0.647 8.372 652 2HD ARG 90 HD1 ARG 90 -7.037 -0.687 9.145 653 HE ARG 90 HE ARG 90 -6.629 0.065 6.315 654 1HH1 ARG 90 HH11 ARG 90 -8.494 -1.518 8.834 655 2HH1 ARG 90 HH12 ARG 90 -9.625 -2.230 7.715 656 1HH2 ARG 90 HH21 ARG 90 -8.129 -0.831 4.863 657 2HH2 ARG 90 HH22 ARG 90 -9.421 -1.826 5.454 658 H MET 91 HN MET 91 -3.565 4.863 10.465 659 HA MET 91 HA MET 91 -1.393 3.493 11.696 660 1HB MET 91 HB2 MET 91 -0.263 5.677 11.651 661 2HB MET 91 HB1 MET 91 -0.979 5.276 10.097 662 1HG MET 91 HG2 MET 91 -2.847 6.762 10.554 663 2HG MET 91 HG1 MET 91 -2.176 7.135 12.140 664 1HE MET 91 HE1 MET 91 0.950 7.308 11.475 665 2HE MET 91 HE2 MET 91 0.086 8.438 12.517 666 3HE MET 91 HE3 MET 91 1.108 9.046 11.214 667 H THR 92 HN THR 92 -0.474 3.789 13.711 668 HA THR 92 HA THR 92 -2.247 4.329 15.870 669 HB THR 92 HB THR 92 0.770 4.139 15.998 670 HG1 THR 92 HG1 THR 92 0.095 2.268 15.008 671 1HG2 THR 92 HG21 THR 92 -1.390 3.563 18.031 672 2HG2 THR 92 HG22 THR 92 -0.292 4.944 18.045 673 3HG2 THR 92 HG23 THR 92 0.338 3.313 18.274 674 HA PRO 93 HA PRO 93 -1.730 8.765 15.697 675 1HB PRO 93 HB2 PRO 93 -3.240 8.714 18.221 676 2HB PRO 93 HB1 PRO 93 -3.649 9.479 16.683 677 1HG PRO 93 HG2 PRO 93 -4.947 7.300 17.561 678 2HG PRO 93 HG1 PRO 93 -4.625 7.568 15.838 679 1HD PRO 93 HD2 PRO 93 -3.196 5.788 17.778 680 2HD PRO 93 HD1 PRO 93 -3.654 5.476 16.089 681 H HIS 94 HN HIS 94 -0.247 10.098 16.519 682 HA HIS 94 HA HIS 94 1.609 9.291 18.477 683 1HB HIS 94 HB2 HIS 94 0.970 11.973 17.258 684 2HB HIS 94 HB1 HIS 94 2.218 11.790 18.484 685 HD1 HIS 94 HD1 HIS 94 4.211 12.293 17.030 686 HD2 HIS 94 HD2 HIS 94 1.804 9.277 15.482 687 HE1 HIS 94 HE1 HIS 94 5.498 11.322 15.103 688 HE2 HIS 94 HE2 HIS 94 4.153 9.315 14.400 689 H ASN 95 HN ASN 95 1.735 9.611 20.638 690 HA ASN 95 HA ASN 95 -0.693 10.643 21.913 691 1HB ASN 95 HB2 ASN 95 -0.038 9.336 23.864 692 2HB ASN 95 HB1 ASN 95 -0.062 8.321 22.429 693 1HD2 ASN 95 HD21 ASN 95 1.295 7.809 24.877 694 2HD2 ASN 95 HD22 ASN 95 2.981 7.699 24.506 695 H GLY 96 HN GLY 96 1.922 12.083 20.973 696 1HA GLY 96 HA2 GLY 96 1.851 14.333 22.383 697 2HA GLY 96 HA1 GLY 96 2.736 13.297 23.492 698 HA PRO 97 HA PRO 97 5.732 15.326 20.525 699 1HB PRO 97 HB2 PRO 97 7.066 16.317 22.921 700 2HB PRO 97 HB1 PRO 97 6.432 17.224 21.546 701 1HG PRO 97 HG2 PRO 97 5.313 17.323 24.013 702 2HG PRO 97 HG1 PRO 97 4.375 17.518 22.521 703 1HD PRO 97 HD2 PRO 97 4.666 15.108 24.278 704 2HD PRO 97 HD1 PRO 97 3.215 15.750 23.476 705 H ILE 98 HN ILE 98 7.260 13.970 19.854 706 HA ILE 98 HA ILE 98 8.435 12.080 21.752 707 HB ILE 98 HB ILE 98 8.592 12.154 18.732 708 1HG1 ILE 98 HG12 ILE 98 6.915 10.449 20.590 709 2HG1 ILE 98 HG11 ILE 98 6.317 11.729 19.540 710 1HG2 ILE 98 HG21 ILE 98 9.478 10.049 20.701 711 2HG2 ILE 98 HG22 ILE 98 10.515 11.028 19.662 712 3HG2 ILE 98 HG23 ILE 98 9.423 9.839 18.951 713 1HD1 ILE 98 HD11 ILE 98 7.025 10.429 17.584 714 2HD1 ILE 98 HD12 ILE 98 5.860 9.561 18.585 715 3HD1 ILE 98 HD13 ILE 98 7.572 9.140 18.658 716 HA PRO 99 HA PRO 99 12.228 14.475 21.855 717 1HB PRO 99 HB2 PRO 99 13.394 11.977 22.901 718 2HB PRO 99 HB1 PRO 99 13.310 13.575 23.648 719 1HG PRO 99 HG2 PRO 99 11.807 11.531 24.522 720 2HG PRO 99 HG1 PRO 99 11.210 13.201 24.529 721 1HD PRO 99 HD2 PRO 99 10.609 10.978 22.614 722 2HD PRO 99 HD1 PRO 99 9.521 12.206 23.294 723 H ARG 100 HN ARG 100 13.173 14.755 19.917 724 HA ARG 100 HA ARG 100 13.987 12.368 18.412 725 1HB ARG 100 HB2 ARG 100 12.432 14.017 17.332 726 2HB ARG 100 HB1 ARG 100 13.722 15.208 17.408 727 1HG ARG 100 HG2 ARG 100 14.393 12.644 16.118 728 2HG ARG 100 HG1 ARG 100 13.239 13.675 15.270 729 1HD ARG 100 HD2 ARG 100 15.931 14.589 16.269 730 2HD ARG 100 HD1 ARG 100 15.614 14.048 14.620 731 HE ARG 100 HE ARG 100 14.065 16.288 15.722 732 1HH1 ARG 100 HH11 ARG 100 16.471 15.094 13.477 733 2HH1 ARG 100 HH12 ARG 100 16.420 16.514 12.474 734 1HH2 ARG 100 HH21 ARG 100 14.015 18.153 14.437 735 2HH2 ARG 100 HH22 ARG 100 15.048 18.283 13.045 736 H TYR 101 HN TYR 101 16.062 11.905 18.105 737 HA TYR 101 HA TYR 101 18.003 13.674 19.407 738 1HB TYR 101 HB2 TYR 101 18.204 10.766 18.597 739 2HB TYR 101 HB1 TYR 101 19.489 11.679 19.378 740 HD1 TYR 101 HD1 TYR 101 19.403 12.178 21.733 741 HD2 TYR 101 HD2 TYR 101 16.179 10.143 19.843 742 HE1 TYR 101 HE1 TYR 101 18.512 11.552 23.937 743 HE2 TYR 101 HE2 TYR 101 15.279 9.517 22.042 744 HH TYR 101 HH TYR 101 16.402 10.894 24.958 745 H VAL 102 HN VAL 102 17.560 11.846 16.390 746 HA VAL 102 HA VAL 102 19.945 13.150 15.313 747 HB VAL 102 HB VAL 102 19.671 11.504 13.400 748 1HG1 VAL 102 HG11 VAL 102 20.121 10.436 16.186 749 2HG1 VAL 102 HG12 VAL 102 21.327 11.195 15.147 750 3HG1 VAL 102 HG13 VAL 102 20.627 9.641 14.695 751 1HG2 VAL 102 HG21 VAL 102 18.345 9.490 13.852 752 2HG2 VAL 102 HG22 VAL 102 17.326 10.925 13.743 753 3HG2 VAL 102 HG23 VAL 102 17.714 10.238 15.320 Start of MODEL 8 1 1H MET 1 HT1 MET 1 5.219 1.000 -1.689 2 2H MET 1 HT2 MET 1 3.903 0.527 -2.646 3 3H MET 1 HT3 MET 1 5.324 -0.396 -2.645 4 HA MET 1 HA MET 1 5.004 -1.015 -0.375 5 1HB MET 1 HB2 MET 1 3.160 -0.297 0.927 6 2HB MET 1 HB1 MET 1 3.799 1.160 0.184 7 1HG MET 1 HG2 MET 1 1.377 -0.379 -0.726 8 2HG MET 1 HG1 MET 1 1.372 1.142 0.161 9 1HE MET 1 HE1 MET 1 0.074 2.190 -3.378 10 2HE MET 1 HE2 MET 1 -0.244 2.215 -1.643 11 3HE MET 1 HE3 MET 1 -0.258 0.685 -2.521 12 H THR 2 HN THR 2 3.528 -2.755 0.272 13 HA THR 2 HA THR 2 2.090 -3.882 -2.035 14 HB THR 2 HB THR 2 3.896 -5.292 -1.069 15 HG1 THR 2 HG1 THR 2 2.268 -6.443 -2.034 16 1HG2 THR 2 HG21 THR 2 3.583 -6.334 1.127 17 2HG2 THR 2 HG22 THR 2 2.157 -5.332 1.398 18 3HG2 THR 2 HG23 THR 2 3.748 -4.583 1.260 19 H MET 3 HN MET 3 0.072 -5.146 -1.409 20 HA MET 3 HA MET 3 -1.721 -3.478 0.006 21 1HB MET 3 HB2 MET 3 -1.969 -6.323 -0.967 22 2HB MET 3 HB1 MET 3 -3.285 -5.473 -0.169 23 1HG MET 3 HG2 MET 3 -1.937 -4.629 -2.724 24 2HG MET 3 HG1 MET 3 -3.508 -5.420 -2.593 25 1HE MET 3 HE1 MET 3 -4.661 -3.516 -4.021 26 2HE MET 3 HE2 MET 3 -3.097 -2.722 -4.206 27 3HE MET 3 HE3 MET 3 -4.500 -1.795 -3.673 28 H GLY 4 HN GLY 4 -0.062 -6.479 0.868 29 1HA GLY 4 HA2 GLY 4 0.536 -6.012 3.426 30 2HA GLY 4 HA1 GLY 4 -1.173 -6.398 3.553 31 H CYS 5 HN CYS 5 -0.791 -8.236 4.761 32 HA CYS 5 HA CYS 5 -0.423 -10.578 3.163 33 1HB CYS 5 HB2 CYS 5 1.402 -11.560 4.390 34 2HB CYS 5 HB1 CYS 5 1.925 -9.994 3.785 35 H ARG 6 HN ARG 6 -0.893 -12.566 4.493 36 HA ARG 6 HA ARG 6 -3.287 -12.210 5.881 37 1HB ARG 6 HB2 ARG 6 -2.953 -14.624 6.593 38 2HB ARG 6 HB1 ARG 6 -2.948 -14.301 4.865 39 1HG ARG 6 HG2 ARG 6 -0.520 -14.401 4.838 40 2HG ARG 6 HG1 ARG 6 -0.504 -14.681 6.581 41 1HD ARG 6 HD2 ARG 6 -1.993 -16.482 4.700 42 2HD ARG 6 HD1 ARG 6 -0.278 -16.710 5.039 43 HE ARG 6 HE ARG 6 -1.090 -16.781 7.480 44 1HH1 ARG 6 HH11 ARG 6 -2.993 -17.905 4.764 45 2HH1 ARG 6 HH12 ARG 6 -3.718 -19.206 5.655 46 1HH2 ARG 6 HH21 ARG 6 -2.046 -18.489 8.644 47 2HH2 ARG 6 HH22 ARG 6 -3.167 -19.557 7.846 48 H HIS 7 HN HIS 7 -0.037 -12.127 7.092 49 HA HIS 7 HA HIS 7 -0.524 -12.614 9.816 50 1HB HIS 7 HB2 HIS 7 1.526 -10.787 8.551 51 2HB HIS 7 HB1 HIS 7 1.520 -11.262 10.244 52 HD2 HIS 7 HD2 HIS 7 1.117 -14.462 9.917 53 HE1 HIS 7 HE1 HIS 7 4.556 -14.170 7.469 54 HE2 HIS 7 HE2 HIS 7 3.208 -15.692 8.987 55 H VAL 8 HN VAL 8 -1.304 -9.913 7.817 56 HA VAL 8 HA VAL 8 -1.375 -7.868 9.741 57 HB VAL 8 HB VAL 8 -1.829 -7.987 7.030 58 1HG1 VAL 8 HG11 VAL 8 -4.418 -7.146 8.317 59 2HG1 VAL 8 HG12 VAL 8 -4.175 -8.603 7.351 60 3HG1 VAL 8 HG13 VAL 8 -4.012 -7.012 6.606 61 1HG2 VAL 8 HG21 VAL 8 -2.111 -5.563 7.173 62 2HG2 VAL 8 HG22 VAL 8 -0.832 -6.138 8.243 63 3HG2 VAL 8 HG23 VAL 8 -2.408 -5.704 8.905 64 H ALA 9 HN ALA 9 -3.588 -10.466 9.047 65 HA ALA 9 HA ALA 9 -5.826 -9.368 10.445 66 1HB ALA 9 HB1 ALA 9 -6.113 -11.084 8.739 67 2HB ALA 9 HB2 ALA 9 -6.768 -11.621 10.287 68 3HB ALA 9 HB3 ALA 9 -5.211 -12.232 9.727 69 H GLY 10 HN GLY 10 -2.874 -10.374 11.547 70 1HA GLY 10 HA2 GLY 10 -3.935 -11.385 14.097 71 2HA GLY 10 HA1 GLY 10 -2.271 -11.537 13.549 72 H ILE 11 HN ILE 11 -2.981 -8.492 12.737 73 HA ILE 11 HA ILE 11 -1.981 -7.457 15.294 74 HB ILE 11 HB ILE 11 -1.288 -5.447 14.099 75 1HG1 ILE 11 HG12 ILE 11 -2.252 -6.859 11.603 76 2HG1 ILE 11 HG11 ILE 11 -3.054 -5.489 12.360 77 1HG2 ILE 11 HG21 ILE 11 0.280 -7.280 14.305 78 2HG2 ILE 11 HG22 ILE 11 0.512 -6.446 12.769 79 3HG2 ILE 11 HG23 ILE 11 -0.327 -7.996 12.812 80 1HD1 ILE 11 HD11 ILE 11 -0.291 -5.464 11.176 81 2HD1 ILE 11 HD12 ILE 11 -1.131 -4.088 11.893 82 3HD1 ILE 11 HD13 ILE 11 -1.752 -4.831 10.417 83 H ARG 12 HN ARG 12 -2.839 -5.518 16.154 84 HA ARG 12 HA ARG 12 -5.540 -4.849 15.217 85 1HB ARG 12 HB2 ARG 12 -6.134 -4.435 17.646 86 2HB ARG 12 HB1 ARG 12 -5.956 -6.120 17.181 87 1HG ARG 12 HG2 ARG 12 -3.580 -4.741 18.300 88 2HG ARG 12 HG1 ARG 12 -4.898 -5.147 19.401 89 1HD ARG 12 HD2 ARG 12 -3.536 -7.105 17.551 90 2HD ARG 12 HD1 ARG 12 -3.149 -6.904 19.261 91 HE ARG 12 HE ARG 12 -5.755 -7.393 19.406 92 1HH1 ARG 12 HH11 ARG 12 -3.276 -9.014 17.531 93 2HH1 ARG 12 HH12 ARG 12 -4.073 -10.552 17.569 94 1HH2 ARG 12 HH21 ARG 12 -6.819 -9.404 19.432 95 2HH2 ARG 12 HH22 ARG 12 -6.100 -10.772 18.629 96 H THR 13 HN THR 13 -6.245 -2.675 15.909 97 HA THR 13 HA THR 13 -4.188 -0.727 15.601 98 HB THR 13 HB THR 13 -7.016 -0.265 16.574 99 HG1 THR 13 HG1 THR 13 -7.571 -0.102 14.390 100 1HG2 THR 13 HG21 THR 13 -5.515 1.660 16.812 101 2HG2 THR 13 HG22 THR 13 -6.721 1.949 15.559 102 3HG2 THR 13 HG23 THR 13 -5.068 1.528 15.111 103 H VAL 14 HN VAL 14 -2.721 -0.618 17.170 104 HA VAL 14 HA VAL 14 -3.520 -1.127 19.924 105 HB VAL 14 HB VAL 14 -1.057 -1.288 20.338 106 1HG1 VAL 14 HG11 VAL 14 -2.138 -3.064 18.160 107 2HG1 VAL 14 HG12 VAL 14 -2.412 -3.267 19.890 108 3HG1 VAL 14 HG13 VAL 14 -0.786 -3.438 19.228 109 1HG2 VAL 14 HG21 VAL 14 0.440 -1.445 18.406 110 2HG2 VAL 14 HG22 VAL 14 -0.294 0.155 18.521 111 3HG2 VAL 14 HG23 VAL 14 -0.894 -1.007 17.338 112 H THR 15 HN THR 15 -2.615 0.138 21.657 113 HA THR 15 HA THR 15 -2.457 2.985 20.980 114 HB THR 15 HB THR 15 -2.827 1.730 23.710 115 HG1 THR 15 HG1 THR 15 -4.725 2.562 21.746 116 1HG2 THR 15 HG21 THR 15 -3.706 3.941 24.318 117 2HG2 THR 15 HG22 THR 15 -3.363 4.527 22.690 118 3HG2 THR 15 HG23 THR 15 -2.039 4.049 23.753 119 HA PRO 16 HA PRO 16 1.974 2.773 21.477 120 1HB PRO 16 HB2 PRO 16 1.653 5.671 22.046 121 2HB PRO 16 HB1 PRO 16 2.679 4.862 20.857 122 1HG PRO 16 HG2 PRO 16 0.460 6.146 20.114 123 2HG PRO 16 HG1 PRO 16 0.960 4.638 19.326 124 1HD PRO 16 HD2 PRO 16 -1.194 5.105 21.340 125 2HD PRO 16 HD1 PRO 16 -1.161 3.993 19.957 126 H SER 17 HN SER 17 2.859 1.997 23.266 127 HA SER 17 HA SER 17 1.987 2.911 25.875 128 1HB SER 17 HB2 SER 17 2.352 0.483 25.316 129 2HB SER 17 HB1 SER 17 4.079 0.825 25.219 130 HG SER 17 HG SER 17 4.051 1.412 27.400 131 H ALA 18 HN ALA 18 4.441 3.694 23.682 132 HA ALA 18 HA ALA 18 5.840 5.227 25.740 133 1HB ALA 18 HB1 ALA 18 7.118 3.135 25.444 134 2HB ALA 18 HB2 ALA 18 8.028 4.552 24.919 135 3HB ALA 18 HB3 ALA 18 7.277 3.495 23.724 136 H LEU 19 HN LEU 19 7.004 7.051 24.892 137 HA LEU 19 HA LEU 19 5.867 8.057 22.403 138 1HB LEU 19 HB2 LEU 19 7.656 9.353 24.466 139 2HB LEU 19 HB1 LEU 19 7.041 10.167 23.041 140 HG LEU 19 HG LEU 19 5.341 9.050 25.273 141 1HD1 LEU 19 HD11 LEU 19 4.922 11.403 25.820 142 2HD1 LEU 19 HD12 LEU 19 6.096 11.889 24.595 143 3HD1 LEU 19 HD13 LEU 19 6.623 10.975 26.008 144 1HD2 LEU 19 HD21 LEU 19 3.521 10.252 24.171 145 2HD2 LEU 19 HD22 LEU 19 4.207 9.017 23.116 146 3HD2 LEU 19 HD23 LEU 19 4.613 10.715 22.866 147 H GLY 20 HN GLY 20 9.106 7.846 23.839 148 1HA GLY 20 HA2 GLY 20 10.245 7.732 21.137 149 2HA GLY 20 HA1 GLY 20 11.135 8.100 22.610 150 H CYS 21 HN CYS 21 12.695 6.499 22.150 151 HA CYS 21 HA CYS 21 11.898 3.761 21.850 152 1HB CYS 21 HB2 CYS 21 13.978 4.498 20.835 153 2HB CYS 21 HB1 CYS 21 14.605 4.987 22.406 154 HG CYS 21 HG CYS 21 15.993 2.725 21.893 155 H GLU 22 HN GLU 22 10.972 2.769 23.474 156 HA GLU 22 HA GLU 22 10.934 3.362 26.142 157 1HB GLU 22 HB2 GLU 22 9.531 1.682 24.916 158 2HB GLU 22 HB1 GLU 22 10.888 0.570 24.987 159 1HG GLU 22 HG2 GLU 22 9.507 -0.075 26.732 160 2HG GLU 22 HG1 GLU 22 10.780 0.864 27.509 161 H GLU 23 HN GLU 23 13.328 1.450 24.409 162 HA GLU 23 HA GLU 23 14.676 0.521 26.752 163 1HB GLU 23 HB2 GLU 23 14.737 -0.721 24.634 164 2HB GLU 23 HB1 GLU 23 15.588 0.614 23.872 165 1HG GLU 23 HG2 GLU 23 17.115 -1.175 24.433 166 2HG GLU 23 HG1 GLU 23 17.482 0.273 25.369 167 H CYS 24 HN CYS 24 15.368 3.018 24.320 168 HA CYS 24 HA CYS 24 17.857 3.754 25.420 169 1HB CYS 24 HB2 CYS 24 15.974 5.239 23.589 170 2HB CYS 24 HB1 CYS 24 17.593 5.799 23.995 171 HG CYS 24 HG CYS 24 18.374 4.757 21.755 172 H LEU 25 HN LEU 25 14.586 4.730 26.146 173 HA LEU 25 HA LEU 25 15.175 7.203 27.377 174 1HB LEU 25 HB2 LEU 25 12.835 5.333 27.683 175 2HB LEU 25 HB1 LEU 25 12.913 6.913 28.438 176 HG LEU 25 HG LEU 25 12.976 6.392 25.464 177 1HD1 LEU 25 HD11 LEU 25 10.792 5.939 26.460 178 2HD1 LEU 25 HD12 LEU 25 10.754 7.390 25.459 179 3HD1 LEU 25 HD13 LEU 25 10.804 7.532 27.216 180 1HD2 LEU 25 HD21 LEU 25 12.768 8.820 25.265 181 2HD2 LEU 25 HD22 LEU 25 14.259 8.367 26.093 182 3HD2 LEU 25 HD23 LEU 25 12.886 8.975 27.018 183 H LYS 26 HN LYS 26 15.630 3.988 28.497 184 HA LYS 26 HA LYS 26 15.278 4.541 31.281 185 1HB LYS 26 HB2 LYS 26 16.012 2.333 31.681 186 2HB LYS 26 HB1 LYS 26 15.116 2.264 30.171 187 1HG LYS 26 HG2 LYS 26 17.383 2.474 29.016 188 2HG LYS 26 HG1 LYS 26 18.079 2.107 30.595 189 1HD LYS 26 HD2 LYS 26 16.129 0.387 29.068 190 2HD LYS 26 HD1 LYS 26 17.859 0.091 29.241 191 1HE LYS 26 HE2 LYS 26 17.622 -0.255 31.602 192 2HE LYS 26 HE1 LYS 26 15.932 0.248 31.554 193 1HZ LYS 26 HZ1 LYS 26 17.040 -2.150 30.197 194 2HZ LYS 26 HZ2 LYS 26 15.416 -1.675 30.209 195 3HZ LYS 26 HZ3 LYS 26 16.170 -2.165 31.648 196 H ILE 27 HN ILE 27 17.824 5.057 29.039 197 HA ILE 27 HA ILE 27 19.632 5.739 31.263 198 HB ILE 27 HB ILE 27 21.542 5.141 29.741 199 1HG1 ILE 27 HG12 ILE 27 19.347 3.756 28.184 200 2HG1 ILE 27 HG11 ILE 27 20.285 5.136 27.626 201 1HG2 ILE 27 HG21 ILE 27 19.692 2.916 30.587 202 2HG2 ILE 27 HG22 ILE 27 20.895 3.718 31.597 203 3HG2 ILE 27 HG23 ILE 27 21.409 2.739 30.223 204 1HD1 ILE 27 HD11 ILE 27 21.361 2.391 28.224 205 2HD1 ILE 27 HD12 ILE 27 22.310 3.774 27.680 206 3HD1 ILE 27 HD13 ILE 27 21.078 3.081 26.626 207 H GLY 28 HN GLY 28 17.874 6.941 28.765 208 1HA GLY 28 HA2 GLY 28 17.837 9.068 27.855 209 2HA GLY 28 HA1 GLY 28 19.324 9.425 28.722 210 H SER 29 HN SER 29 18.854 6.730 26.550 211 HA SER 29 HA SER 29 21.127 7.590 24.969 212 1HB SER 29 HB2 SER 29 20.896 5.227 25.684 213 2HB SER 29 HB1 SER 29 19.397 5.105 24.766 214 HG SER 29 HG SER 29 22.023 5.534 23.765 215 HA PRO 30 HA PRO 30 18.583 9.267 21.713 216 1HB PRO 30 HB2 PRO 30 20.767 8.805 19.843 217 2HB PRO 30 HB1 PRO 30 20.152 10.333 20.475 218 1HG PRO 30 HG2 PRO 30 22.589 9.335 21.139 219 2HG PRO 30 HG1 PRO 30 21.632 10.354 22.228 220 1HD PRO 30 HD2 PRO 30 21.961 7.376 22.218 221 2HD PRO 30 HD1 PRO 30 21.924 8.501 23.594 222 H TRP 31 HN TRP 31 17.936 8.723 19.437 223 HA TRP 31 HA TRP 31 18.350 5.986 18.599 224 1HB TRP 31 HB2 TRP 31 15.915 5.543 18.367 225 2HB TRP 31 HB1 TRP 31 16.421 5.705 20.043 226 HD1 TRP 31 HD1 TRP 31 14.493 7.638 17.318 227 HE1 TRP 31 HE1 TRP 31 12.924 9.314 18.481 228 HE3 TRP 31 HE3 TRP 31 16.034 6.975 22.148 229 HZ2 TRP 31 HZ2 TRP 31 12.406 10.229 21.098 230 HZ3 TRP 31 HZ3 TRP 31 14.950 8.288 23.922 231 HH2 TRP 31 HH2 TRP 31 13.174 9.882 23.406 232 H VAL 32 HN VAL 32 17.595 5.622 16.404 233 HA VAL 32 HA VAL 32 17.746 8.078 14.845 234 HB VAL 32 HB VAL 32 17.668 5.237 13.811 235 1HG1 VAL 32 HG11 VAL 32 18.661 6.206 11.799 236 2HG1 VAL 32 HG12 VAL 32 18.593 7.808 12.531 237 3HG1 VAL 32 HG13 VAL 32 17.100 6.945 12.160 238 1HG2 VAL 32 HG21 VAL 32 20.116 5.419 13.617 239 2HG2 VAL 32 HG22 VAL 32 19.573 5.487 15.293 240 3HG2 VAL 32 HG23 VAL 32 20.055 6.966 14.463 241 H HIS 33 HN HIS 33 15.734 5.118 14.614 242 HA HIS 33 HA HIS 33 13.431 6.881 14.139 243 1HB HIS 33 HB2 HIS 33 13.988 4.332 12.601 244 2HB HIS 33 HB1 HIS 33 12.561 5.346 12.434 245 HD1 HIS 33 HD1 HIS 33 13.208 7.950 11.654 246 HD2 HIS 33 HD2 HIS 33 15.895 4.884 10.785 247 HE1 HIS 33 HE1 HIS 33 14.713 8.845 9.840 248 HE2 HIS 33 HE2 HIS 33 16.435 7.038 9.459 249 H LEU 34 HN LEU 34 11.354 5.842 14.573 250 HA LEU 34 HA LEU 34 11.625 3.879 16.746 251 1HB LEU 34 HB2 LEU 34 9.544 6.016 16.305 252 2HB LEU 34 HB1 LEU 34 9.488 4.825 17.592 253 HG LEU 34 HG LEU 34 11.660 6.892 17.244 254 1HD1 LEU 34 HD11 LEU 34 9.524 7.903 17.845 255 2HD1 LEU 34 HD12 LEU 34 10.662 7.971 19.190 256 3HD1 LEU 34 HD13 LEU 34 9.363 6.778 19.193 257 1HD2 LEU 34 HD21 LEU 34 11.108 4.932 19.470 258 2HD2 LEU 34 HD22 LEU 34 12.353 6.181 19.482 259 3HD2 LEU 34 HD23 LEU 34 12.446 4.854 18.324 260 H ARG 35 HN ARG 35 10.326 2.127 16.831 261 HA ARG 35 HA ARG 35 8.470 1.702 14.575 262 1HB ARG 35 HB2 ARG 35 10.071 -0.431 16.006 263 2HB ARG 35 HB1 ARG 35 9.040 -0.653 14.602 264 1HG ARG 35 HG2 ARG 35 11.581 0.960 14.649 265 2HG ARG 35 HG1 ARG 35 11.428 -0.691 14.051 266 1HD ARG 35 HD2 ARG 35 9.785 0.110 12.385 267 2HD ARG 35 HD1 ARG 35 10.061 1.759 12.948 268 HE ARG 35 HE ARG 35 12.282 0.130 11.886 269 1HH1 ARG 35 HH11 ARG 35 10.279 2.998 11.788 270 2HH1 ARG 35 HH12 ARG 35 11.264 3.815 10.610 271 1HH2 ARG 35 HH21 ARG 35 13.599 1.193 10.345 272 2HH2 ARG 35 HH22 ARG 35 13.149 2.778 9.780 273 H ILE 36 HN ILE 36 6.420 1.602 15.287 274 HA ILE 36 HA ILE 36 5.930 0.706 18.039 275 HB ILE 36 HB ILE 36 4.828 2.787 17.506 276 1HG1 ILE 36 HG12 ILE 36 2.813 0.531 17.559 277 2HG1 ILE 36 HG11 ILE 36 3.669 1.156 18.964 278 1HG2 ILE 36 HG21 ILE 36 4.699 2.617 15.098 279 2HG2 ILE 36 HG22 ILE 36 3.099 2.945 15.765 280 3HG2 ILE 36 HG23 ILE 36 3.513 1.318 15.228 281 1HD1 ILE 36 HD11 ILE 36 1.722 2.671 17.245 282 2HD1 ILE 36 HD12 ILE 36 2.601 3.333 18.623 283 3HD1 ILE 36 HD13 ILE 36 1.426 2.040 18.865 284 H CYS 37 HN CYS 37 5.320 -1.224 18.437 285 HA CYS 37 HA CYS 37 4.984 -3.116 16.305 286 1HB CYS 37 HB2 CYS 37 6.306 -3.644 18.258 287 2HB CYS 37 HB1 CYS 37 4.928 -3.351 19.308 288 H ARG 38 HN ARG 38 3.100 -3.566 15.366 289 HA ARG 38 HA ARG 38 0.651 -2.461 16.342 290 1HB ARG 38 HB2 ARG 38 1.379 -4.146 13.964 291 2HB ARG 38 HB1 ARG 38 -0.293 -3.739 14.319 292 1HG ARG 38 HG2 ARG 38 1.891 -1.711 13.928 293 2HG ARG 38 HG1 ARG 38 0.794 -2.255 12.658 294 1HD ARG 38 HD2 ARG 38 -0.024 -0.935 15.244 295 2HD ARG 38 HD1 ARG 38 0.061 -0.143 13.671 296 HE ARG 38 HE ARG 38 -1.749 -2.425 14.121 297 1HH1 ARG 38 HH11 ARG 38 -1.155 0.868 13.121 298 2HH1 ARG 38 HH12 ARG 38 -2.793 1.142 12.595 299 1HH2 ARG 38 HH21 ARG 38 -3.903 -2.095 13.384 300 2HH2 ARG 38 HH22 ARG 38 -4.350 -0.540 12.756 301 H THR 39 HN THR 39 2.104 -5.080 17.530 302 HA THR 39 HA THR 39 -0.359 -6.672 17.626 303 HB THR 39 HB THR 39 2.356 -7.602 18.543 304 HG1 THR 39 HG1 THR 39 1.309 -8.223 15.993 305 1HG2 THR 39 HG21 THR 39 -0.111 -9.067 17.594 306 2HG2 THR 39 HG22 THR 39 0.440 -8.934 19.266 307 3HG2 THR 39 HG23 THR 39 1.407 -9.820 18.085 308 H CYS 40 HN CYS 40 1.733 -4.738 19.583 309 HA CYS 40 HA CYS 40 0.077 -5.362 21.901 310 1HB CYS 40 HB2 CYS 40 1.968 -5.756 23.371 311 2HB CYS 40 HB1 CYS 40 2.038 -6.864 22.010 312 H GLY 41 HN GLY 41 1.646 -3.055 20.015 313 1HA GLY 41 HA2 GLY 41 1.354 -0.771 20.162 314 2HA GLY 41 HA1 GLY 41 0.644 -0.994 21.750 315 H HIS 42 HN HIS 42 3.718 -2.476 21.427 316 HA HIS 42 HA HIS 42 4.804 -0.364 23.123 317 1HB HIS 42 HB2 HIS 42 5.051 -3.097 23.271 318 2HB HIS 42 HB1 HIS 42 6.579 -2.625 22.531 319 HD1 HIS 42 HD1 HIS 42 5.713 -3.553 25.639 320 HD2 HIS 42 HD2 HIS 42 7.213 0.067 24.248 321 HE1 HIS 42 HE1 HIS 42 6.701 -2.406 27.650 322 HE2 HIS 42 HE2 HIS 42 7.439 -0.142 26.815 323 H VAL 43 HN VAL 43 6.502 0.915 22.594 324 HA VAL 43 HA VAL 43 7.288 0.878 19.763 325 HB VAL 43 HB VAL 43 7.373 3.204 21.698 326 1HG1 VAL 43 HG11 VAL 43 7.726 4.570 19.705 327 2HG1 VAL 43 HG12 VAL 43 7.731 3.118 18.704 328 3HG1 VAL 43 HG13 VAL 43 9.008 3.374 19.893 329 1HG2 VAL 43 HG21 VAL 43 5.434 4.073 20.476 330 2HG2 VAL 43 HG22 VAL 43 5.072 2.539 21.269 331 3HG2 VAL 43 HG23 VAL 43 5.368 2.585 19.531 332 H GLY 44 HN GLY 44 9.398 0.799 19.204 333 1HA GLY 44 HA2 GLY 44 11.438 1.234 21.267 334 2HA GLY 44 HA1 GLY 44 11.427 -0.310 20.423 335 H CYS 45 HN CYS 45 13.674 1.203 20.253 336 HA CYS 45 HA CYS 45 13.667 2.898 17.953 337 1HB CYS 45 HB2 CYS 45 16.083 2.896 18.162 338 2HB CYS 45 HB1 CYS 45 15.374 3.055 19.766 339 HG CYS 45 HG CYS 45 16.779 0.240 18.427 340 H CYS 46 HN CYS 46 14.449 2.447 15.894 341 HA CYS 46 HA CYS 46 13.884 -0.146 14.898 342 1HB CYS 46 HB2 CYS 46 14.718 0.774 12.748 343 2HB CYS 46 HB1 CYS 46 13.529 1.816 13.524 344 HG CYS 46 HG CYS 46 16.283 2.744 12.299 345 H ASP 47 HN ASP 47 15.733 -0.811 13.095 346 HA ASP 47 HA ASP 47 17.797 -1.944 14.758 347 1HB ASP 47 HB2 ASP 47 18.378 -3.242 12.750 348 2HB ASP 47 HB1 ASP 47 16.658 -3.343 13.112 349 H ASP 48 HN ASP 48 17.542 0.956 13.322 350 HA ASP 48 HA ASP 48 20.182 1.197 12.204 351 1HB ASP 48 HB2 ASP 48 18.151 3.301 12.985 352 2HB ASP 48 HB1 ASP 48 19.673 3.642 12.171 353 H SER 49 HN SER 49 18.616 1.862 15.266 354 HA SER 49 HA SER 49 20.959 3.082 16.416 355 1HB SER 49 HB2 SER 49 18.334 2.201 17.647 356 2HB SER 49 HB1 SER 49 19.604 3.070 18.510 357 HG SER 49 HG SER 49 19.321 4.818 17.136 358 HA PRO 50 HA PRO 50 23.290 -0.392 17.689 359 1HB PRO 50 HB2 PRO 50 23.260 0.868 20.396 360 2HB PRO 50 HB1 PRO 50 24.627 0.283 19.441 361 1HG PRO 50 HG2 PRO 50 24.105 2.889 19.626 362 2HG PRO 50 HG1 PRO 50 24.679 2.174 18.109 363 1HD PRO 50 HD2 PRO 50 21.959 3.125 18.842 364 2HD PRO 50 HD1 PRO 50 22.763 3.100 17.262 365 H HIS 51 HN HIS 51 20.681 0.575 19.890 366 HA HIS 51 HA HIS 51 20.638 -1.830 21.374 367 1HB HIS 51 HB2 HIS 51 18.727 0.448 21.050 368 2HB HIS 51 HB1 HIS 51 18.198 -1.014 21.874 369 HD1 HIS 51 HD1 HIS 51 19.186 2.121 22.819 370 HD2 HIS 51 HD2 HIS 51 20.648 -1.640 23.817 371 HE1 HIS 51 HE1 HIS 51 20.290 2.396 25.059 372 HE2 HIS 51 HE2 HIS 51 21.370 0.164 25.526 373 H LYS 52 HN LYS 52 18.824 -0.791 18.513 374 HA LYS 52 HA LYS 52 17.318 -1.853 17.160 375 1HB LYS 52 HB2 LYS 52 19.025 -4.251 17.861 376 2HB LYS 52 HB1 LYS 52 17.934 -4.138 16.488 377 1HG LYS 52 HG2 LYS 52 19.315 -2.230 15.654 378 2HG LYS 52 HG1 LYS 52 20.462 -2.578 16.950 379 1HD LYS 52 HD2 LYS 52 20.754 -4.847 16.071 380 2HD LYS 52 HD1 LYS 52 19.618 -4.486 14.769 381 1HE LYS 52 HE2 LYS 52 21.136 -2.647 14.049 382 2HE LYS 52 HE1 LYS 52 22.294 -3.188 15.263 383 1HZ LYS 52 HZ1 LYS 52 21.300 -4.762 12.948 384 2HZ LYS 52 HZ2 LYS 52 22.343 -5.359 14.148 385 3HZ LYS 52 HZ3 LYS 52 22.851 -4.106 13.128 386 H HIS 53 HN HIS 53 16.314 -1.540 19.727 387 HA HIS 53 HA HIS 53 15.575 -3.932 21.019 388 1HB HIS 53 HB2 HIS 53 15.629 -1.479 21.898 389 2HB HIS 53 HB1 HIS 53 13.976 -1.410 21.301 390 HD1 HIS 53 HD1 HIS 53 12.294 -1.962 23.046 391 HD2 HIS 53 HD2 HIS 53 15.910 -3.899 23.714 392 HE1 HIS 53 HE1 HIS 53 12.031 -3.149 25.244 393 HE2 HIS 53 HE2 HIS 53 14.296 -4.147 25.717 394 H ALA 54 HN ALA 54 14.180 -2.264 18.329 395 HA ALA 54 HA ALA 54 11.543 -3.333 18.592 396 1HB ALA 54 HB1 ALA 54 12.900 -2.206 16.148 397 2HB ALA 54 HB2 ALA 54 11.989 -1.277 17.340 398 3HB ALA 54 HB3 ALA 54 11.170 -2.484 16.347 399 H THR 55 HN THR 55 14.428 -4.287 16.748 400 HA THR 55 HA THR 55 13.074 -6.405 15.384 401 HB THR 55 HB THR 55 15.381 -7.132 14.721 402 HG1 THR 55 HG1 THR 55 16.767 -6.457 16.236 403 1HG2 THR 55 HG21 THR 55 15.845 -5.154 13.324 404 2HG2 THR 55 HG22 THR 55 14.696 -4.223 14.286 405 3HG2 THR 55 HG23 THR 55 14.136 -5.588 13.319 406 H ARG 56 HN ARG 56 15.197 -6.175 18.204 407 HA ARG 56 HA ARG 56 15.337 -8.955 18.714 408 1HB ARG 56 HB2 ARG 56 15.528 -6.728 20.750 409 2HB ARG 56 HB1 ARG 56 16.163 -8.360 20.908 410 1HG ARG 56 HG2 ARG 56 17.566 -7.772 18.824 411 2HG ARG 56 HG1 ARG 56 17.167 -6.100 19.226 412 1HD ARG 56 HD2 ARG 56 19.261 -6.601 20.246 413 2HD ARG 56 HD1 ARG 56 18.050 -6.538 21.527 414 HE ARG 56 HE ARG 56 18.302 -9.188 20.613 415 1HH1 ARG 56 HH11 ARG 56 20.088 -6.792 22.445 416 2HH1 ARG 56 HH12 ARG 56 20.977 -7.975 23.363 417 1HH2 ARG 56 HH21 ARG 56 19.444 -10.740 21.817 418 2HH2 ARG 56 HH22 ARG 56 20.601 -10.228 23.008 419 H HIS 57 HN HIS 57 12.956 -6.538 19.319 420 HA HIS 57 HA HIS 57 11.451 -7.775 21.333 421 1HB HIS 57 HB2 HIS 57 11.091 -5.450 20.675 422 2HB HIS 57 HB1 HIS 57 10.554 -5.963 19.080 423 HD1 HIS 57 HD1 HIS 57 9.407 -5.803 22.666 424 HD2 HIS 57 HD2 HIS 57 7.969 -6.864 18.913 425 HE1 HIS 57 HE1 HIS 57 6.908 -6.105 22.917 426 H PHE 58 HN PHE 58 11.354 -8.082 17.811 427 HA PHE 58 HA PHE 58 9.118 -9.809 17.691 428 1HB PHE 58 HB2 PHE 58 9.779 -8.709 15.683 429 2HB PHE 58 HB1 PHE 58 11.423 -9.326 15.803 430 HD1 PHE 58 HD1 PHE 58 7.992 -10.817 15.801 431 HD2 PHE 58 HD2 PHE 58 11.934 -10.875 14.216 432 HE1 PHE 58 HE1 PHE 58 7.380 -12.716 14.364 433 HE2 PHE 58 HE2 PHE 58 11.330 -12.771 12.772 434 HZ PHE 58 HZ PHE 58 9.051 -13.697 12.847 435 H HIS 59 HN HIS 59 12.551 -10.337 18.102 436 HA HIS 59 HA HIS 59 12.512 -13.152 17.812 437 1HB HIS 59 HB2 HIS 59 14.552 -11.746 17.629 438 2HB HIS 59 HB1 HIS 59 14.466 -11.432 19.358 439 HD1 HIS 59 HD1 HIS 59 14.567 -14.542 17.149 440 HD2 HIS 59 HD2 HIS 59 16.117 -13.062 20.716 441 HE1 HIS 59 HE1 HIS 59 16.108 -16.333 18.020 442 HE2 HIS 59 HE2 HIS 59 17.192 -15.322 20.063 443 H ALA 60 HN ALA 60 11.749 -11.017 20.436 444 HA ALA 60 HA ALA 60 11.818 -13.154 22.405 445 1HB ALA 60 HB1 ALA 60 12.648 -10.922 23.000 446 2HB ALA 60 HB2 ALA 60 11.309 -11.429 24.030 447 3HB ALA 60 HB3 ALA 60 11.033 -10.263 22.737 448 H THR 61 HN THR 61 9.359 -10.825 21.232 449 HA THR 61 HA THR 61 7.289 -12.283 22.639 450 HB THR 61 HB THR 61 5.761 -10.533 21.670 451 HG1 THR 61 HG1 THR 61 8.244 -9.505 20.707 452 1HG2 THR 61 HG21 THR 61 6.778 -10.300 23.904 453 2HG2 THR 61 HG22 THR 61 6.547 -8.742 23.109 454 3HG2 THR 61 HG23 THR 61 8.155 -9.471 23.176 455 H GLY 62 HN GLY 62 8.468 -12.080 19.369 456 1HA GLY 62 HA2 GLY 62 7.858 -13.359 17.529 457 2HA GLY 62 HA1 GLY 62 6.597 -14.101 18.507 458 H HIS 63 HN HIS 63 7.117 -10.669 17.874 459 HA HIS 63 HA HIS 63 4.442 -10.562 16.640 460 1HB HIS 63 HB2 HIS 63 5.959 -8.409 18.141 461 2HB HIS 63 HB1 HIS 63 4.411 -8.169 17.343 462 HD2 HIS 63 HD2 HIS 63 3.817 -11.413 18.890 463 HE1 HIS 63 HE1 HIS 63 3.128 -8.615 22.000 464 HE2 HIS 63 HE2 HIS 63 3.002 -11.077 21.333 465 HA PRO 64 HA PRO 64 7.277 -9.808 13.267 466 1HB PRO 64 HB2 PRO 64 5.759 -10.742 11.294 467 2HB PRO 64 HB1 PRO 64 6.410 -11.815 12.539 468 1HG PRO 64 HG2 PRO 64 3.654 -10.688 12.260 469 2HG PRO 64 HG1 PRO 64 4.153 -12.317 12.747 470 1HD PRO 64 HD2 PRO 64 3.431 -10.276 14.489 471 2HD PRO 64 HD1 PRO 64 4.384 -11.705 14.928 472 H ILE 65 HN ILE 65 4.644 -7.839 13.906 473 HA ILE 65 HA ILE 65 5.118 -6.349 11.413 474 HB ILE 65 HB ILE 65 2.427 -6.791 12.704 475 1HG1 ILE 65 HG12 ILE 65 3.549 -7.531 9.990 476 2HG1 ILE 65 HG11 ILE 65 3.184 -8.643 11.304 477 1HG2 ILE 65 HG21 ILE 65 2.615 -4.479 11.974 478 2HG2 ILE 65 HG22 ILE 65 1.523 -5.372 10.916 479 3HG2 ILE 65 HG23 ILE 65 3.164 -5.008 10.383 480 1HD1 ILE 65 HD11 ILE 65 1.182 -6.987 9.786 481 2HD1 ILE 65 HD12 ILE 65 0.814 -8.100 11.104 482 3HD1 ILE 65 HD13 ILE 65 1.475 -8.715 9.588 483 H ILE 66 HN ILE 66 5.586 -4.299 11.594 484 HA ILE 66 HA ILE 66 4.899 -2.824 14.047 485 HB ILE 66 HB ILE 66 7.141 -1.740 13.977 486 1HG1 ILE 66 HG12 ILE 66 7.813 -3.960 12.029 487 2HG1 ILE 66 HG11 ILE 66 7.616 -2.266 11.595 488 1HG2 ILE 66 HG21 ILE 66 6.678 -3.562 15.542 489 2HG2 ILE 66 HG22 ILE 66 8.361 -3.575 15.016 490 3HG2 ILE 66 HG23 ILE 66 7.216 -4.732 14.336 491 1HD1 ILE 66 HD11 ILE 66 9.710 -3.375 13.448 492 2HD1 ILE 66 HD12 ILE 66 9.524 -1.683 12.986 493 3HD1 ILE 66 HD13 ILE 66 9.957 -2.886 11.772 494 H GLU 67 HN GLU 67 4.710 -0.547 13.749 495 HA GLU 67 HA GLU 67 4.675 0.352 10.944 496 1HB GLU 67 HB2 GLU 67 3.236 1.326 13.394 497 2HB GLU 67 HB1 GLU 67 3.470 2.385 12.015 498 1HG GLU 67 HG2 GLU 67 2.327 0.641 10.621 499 2HG GLU 67 HG1 GLU 67 1.920 -0.180 12.130 500 H GLY 68 HN GLY 68 5.369 2.617 10.605 501 1HA GLY 68 HA2 GLY 68 7.786 3.225 12.093 502 2HA GLY 68 HA1 GLY 68 7.171 4.098 10.692 503 H TYR 69 HN TYR 69 7.347 3.989 14.100 504 HA TYR 69 HA TYR 69 5.111 5.758 14.551 505 1HB TYR 69 HB2 TYR 69 5.851 3.977 16.178 506 2HB TYR 69 HB1 TYR 69 7.274 4.957 16.509 507 HD1 TYR 69 HD1 TYR 69 7.133 5.980 18.561 508 HD2 TYR 69 HD2 TYR 69 3.613 5.698 16.190 509 HE1 TYR 69 HE1 TYR 69 5.886 7.223 20.274 510 HE2 TYR 69 HE2 TYR 69 2.356 6.941 17.899 511 HH TYR 69 HH TYR 69 3.948 8.496 20.566 512 H ASP 70 HN ASP 70 8.479 6.006 13.938 513 HA ASP 70 HA ASP 70 8.747 8.717 14.832 514 1HB ASP 70 HB2 ASP 70 10.781 7.583 14.849 515 2HB ASP 70 HB1 ASP 70 10.505 6.844 13.280 516 HA PRO 71 HA PRO 71 7.747 9.873 10.399 517 1HB PRO 71 HB2 PRO 71 7.878 8.148 8.353 518 2HB PRO 71 HB1 PRO 71 9.333 8.870 9.046 519 1HG PRO 71 HG2 PRO 71 8.312 6.111 9.274 520 2HG PRO 71 HG1 PRO 71 9.968 6.715 9.433 521 1HD PRO 71 HD2 PRO 71 8.100 6.086 11.523 522 2HD PRO 71 HD1 PRO 71 9.760 6.684 11.679 523 HA PRO 72 HA PRO 72 3.584 8.083 11.095 524 1HB PRO 72 HB2 PRO 72 2.658 10.832 10.803 525 2HB PRO 72 HB1 PRO 72 2.578 9.777 12.216 526 1HG PRO 72 HG2 PRO 72 4.186 11.950 12.112 527 2HG PRO 72 HG1 PRO 72 4.607 10.490 13.027 528 1HD PRO 72 HD2 PRO 72 5.546 11.359 10.313 529 2HD PRO 72 HD1 PRO 72 6.481 10.673 11.661 530 H GLU 73 HN GLU 73 4.648 7.772 8.607 531 HA GLU 73 HA GLU 73 3.064 9.219 6.654 532 1HB GLU 73 HB2 GLU 73 4.967 6.921 6.198 533 2HB GLU 73 HB1 GLU 73 4.407 8.093 5.012 534 1HG GLU 73 HG2 GLU 73 5.600 9.863 6.153 535 2HG GLU 73 HG1 GLU 73 6.111 8.735 7.408 536 H GLY 74 HN GLY 74 3.016 6.219 8.344 537 1HA GLY 74 HA2 GLY 74 1.139 4.833 8.553 538 2HA GLY 74 HA1 GLY 74 0.459 5.575 7.113 539 H TRP 75 HN TRP 75 2.999 3.370 8.210 540 HA TRP 75 HA TRP 75 2.384 1.602 6.019 541 1HB TRP 75 HB2 TRP 75 4.809 1.399 5.350 542 2HB TRP 75 HB1 TRP 75 4.020 2.893 4.867 543 HD1 TRP 75 HD1 TRP 75 4.895 5.146 5.941 544 HE1 TRP 75 HE1 TRP 75 7.042 5.748 7.222 545 HE3 TRP 75 HE3 TRP 75 6.500 0.427 7.081 546 HZ2 TRP 75 HZ2 TRP 75 9.136 4.395 8.552 547 HZ3 TRP 75 HZ3 TRP 75 8.585 0.169 8.361 548 HH2 TRP 75 HH2 TRP 75 9.874 2.113 9.080 549 H GLY 76 HN GLY 76 2.992 -0.511 6.380 550 1HA GLY 76 HA2 GLY 76 3.974 -1.026 9.119 551 2HA GLY 76 HA1 GLY 76 2.746 -2.000 8.323 552 H TRP 77 HN TRP 77 5.624 -2.353 9.403 553 HA TRP 77 HA TRP 77 6.758 -3.638 7.010 554 1HB TRP 77 HB2 TRP 77 8.211 -1.947 8.008 555 2HB TRP 77 HB1 TRP 77 8.090 -2.736 9.574 556 HD1 TRP 77 HD1 TRP 77 9.860 -4.542 10.111 557 HE1 TRP 77 HE1 TRP 77 11.778 -5.658 8.799 558 HE3 TRP 77 HE3 TRP 77 8.786 -2.757 5.440 559 HZ2 TRP 77 HZ2 TRP 77 12.697 -5.771 6.136 560 HZ3 TRP 77 HZ3 TRP 77 10.234 -3.419 3.565 561 HH2 TRP 77 HH2 TRP 77 12.149 -4.895 3.908 562 H CYS 78 HN CYS 78 6.968 -5.791 6.962 563 HA CYS 78 HA CYS 78 6.282 -7.268 9.422 564 1HB CYS 78 HB2 CYS 78 4.760 -7.407 7.341 565 2HB CYS 78 HB1 CYS 78 6.046 -8.367 6.626 566 H TYR 79 HN TYR 79 7.969 -8.225 10.330 567 HA TYR 79 HA TYR 79 10.550 -8.091 9.361 568 1HB TYR 79 HB2 TYR 79 9.347 -9.884 11.458 569 2HB TYR 79 HB1 TYR 79 11.075 -9.829 11.132 570 HD1 TYR 79 HD1 TYR 79 12.170 -7.463 11.238 571 HD2 TYR 79 HD2 TYR 79 8.444 -8.443 13.039 572 HE1 TYR 79 HE1 TYR 79 12.420 -5.563 12.775 573 HE2 TYR 79 HE2 TYR 79 8.683 -6.541 14.580 574 HH TYR 79 HH TYR 79 10.616 -5.198 15.544 575 H VAL 80 HN VAL 80 8.615 -11.100 9.547 576 HA VAL 80 HA VAL 80 10.643 -12.631 8.293 577 HB VAL 80 HB VAL 80 8.863 -14.406 8.092 578 1HG1 VAL 80 HG11 VAL 80 10.372 -14.290 9.996 579 2HG1 VAL 80 HG12 VAL 80 8.766 -14.808 10.506 580 3HG1 VAL 80 HG13 VAL 80 9.292 -13.151 10.801 581 1HG2 VAL 80 HG21 VAL 80 6.766 -14.039 9.311 582 2HG2 VAL 80 HG22 VAL 80 6.910 -12.959 7.923 583 3HG2 VAL 80 HG23 VAL 80 7.205 -12.348 9.551 584 H ASP 81 HN ASP 81 7.958 -10.821 7.056 585 HA ASP 81 HA ASP 81 7.951 -12.085 4.463 586 1HB ASP 81 HB2 ASP 81 6.710 -9.465 5.334 587 2HB ASP 81 HB1 ASP 81 6.394 -10.296 3.819 588 H GLU 82 HN GLU 82 9.261 -9.216 5.955 589 HA GLU 82 HA GLU 82 10.661 -7.579 5.295 590 1HB GLU 82 HB2 GLU 82 11.447 -9.499 3.092 591 2HB GLU 82 HB1 GLU 82 12.353 -8.076 3.598 592 1HG GLU 82 HG2 GLU 82 12.560 -9.101 5.857 593 2HG GLU 82 HG1 GLU 82 11.821 -10.561 5.204 594 H VAL 83 HN VAL 83 7.956 -7.740 4.354 595 HA VAL 83 HA VAL 83 8.181 -6.083 1.934 596 HB VAL 83 HB VAL 83 5.875 -6.597 1.396 597 1HG1 VAL 83 HG11 VAL 83 7.464 -9.090 1.971 598 2HG1 VAL 83 HG12 VAL 83 7.531 -8.106 0.509 599 3HG1 VAL 83 HG13 VAL 83 6.063 -9.000 0.904 600 1HG2 VAL 83 HG21 VAL 83 5.845 -8.323 3.875 601 2HG2 VAL 83 HG22 VAL 83 4.559 -8.240 2.669 602 3HG2 VAL 83 HG23 VAL 83 4.953 -6.820 3.638 603 H MET 84 HN MET 84 6.893 -4.184 1.846 604 HA MET 84 HA MET 84 6.082 -3.194 4.503 605 1HB MET 84 HB2 MET 84 8.080 -2.039 3.579 606 2HB MET 84 HB1 MET 84 7.134 -1.576 2.171 607 1HG MET 84 HG2 MET 84 5.598 -0.340 3.674 608 2HG MET 84 HG1 MET 84 6.673 -0.719 5.018 609 1HE MET 84 HE1 MET 84 9.190 0.141 5.178 610 2HE MET 84 HE2 MET 84 9.953 1.164 3.961 611 3HE MET 84 HE3 MET 84 9.535 -0.505 3.574 612 H PHE 85 HN PHE 85 3.950 -3.085 4.640 613 HA PHE 85 HA PHE 85 2.439 -2.586 2.173 614 1HB PHE 85 HB2 PHE 85 0.480 -3.525 3.480 615 2HB PHE 85 HB1 PHE 85 1.744 -4.663 3.041 616 HD1 PHE 85 HD1 PHE 85 0.135 -2.865 5.788 617 HD2 PHE 85 HD2 PHE 85 3.122 -5.698 4.714 618 HE1 PHE 85 HE1 PHE 85 0.294 -3.582 8.132 619 HE2 PHE 85 HE2 PHE 85 3.289 -6.418 7.059 620 HZ PHE 85 HZ PHE 85 1.875 -5.357 8.773 621 H ASP 86 HN ASP 86 0.634 -1.186 2.230 622 HA ASP 86 HA ASP 86 1.256 1.197 3.695 623 1HB ASP 86 HB2 ASP 86 0.420 1.199 1.333 624 2HB ASP 86 HB1 ASP 86 -1.148 0.670 1.937 625 H LEU 87 HN LEU 87 0.545 1.707 5.619 626 HA LEU 87 HA LEU 87 -2.015 0.580 6.528 627 1HB LEU 87 HB2 LEU 87 0.530 1.104 8.028 628 2HB LEU 87 HB1 LEU 87 -1.008 1.077 8.867 629 HG LEU 87 HG LEU 87 0.205 -1.210 7.314 630 1HD1 LEU 87 HD11 LEU 87 0.350 -2.281 9.510 631 2HD1 LEU 87 HD12 LEU 87 -0.258 -0.808 10.266 632 3HD1 LEU 87 HD13 LEU 87 1.304 -0.799 9.447 633 1HD2 LEU 87 HD21 LEU 87 -2.224 -1.201 7.114 634 2HD2 LEU 87 HD22 LEU 87 -2.377 -1.051 8.865 635 3HD2 LEU 87 HD23 LEU 87 -1.686 -2.514 8.162 636 H SER 88 HN SER 88 -1.361 3.115 5.057 637 HA SER 88 HA SER 88 -1.468 5.307 6.834 638 1HB SER 88 HB2 SER 88 -0.798 5.417 4.422 639 2HB SER 88 HB1 SER 88 -2.491 5.198 3.986 640 HG SER 88 HG SER 88 -1.435 7.446 4.260 641 H ASP 89 HN ASP 89 -3.889 3.220 5.493 642 HA ASP 89 HA ASP 89 -6.165 4.805 6.136 643 1HB ASP 89 HB2 ASP 89 -6.297 3.109 4.417 644 2HB ASP 89 HB1 ASP 89 -5.835 1.854 5.559 645 H ARG 90 HN ARG 90 -4.070 2.849 8.019 646 HA ARG 90 HA ARG 90 -6.022 2.795 10.229 647 1HB ARG 90 HB2 ARG 90 -4.139 0.508 9.652 648 2HB ARG 90 HB1 ARG 90 -5.496 0.537 10.767 649 1HG ARG 90 HG2 ARG 90 -7.053 0.609 8.913 650 2HG ARG 90 HG1 ARG 90 -5.711 0.665 7.767 651 1HD ARG 90 HD2 ARG 90 -4.945 -1.528 8.691 652 2HD ARG 90 HD1 ARG 90 -6.434 -1.586 9.634 653 HE ARG 90 HE ARG 90 -6.730 -1.245 6.755 654 1HH1 ARG 90 HH11 ARG 90 -6.847 -3.388 9.527 655 2HH1 ARG 90 HH12 ARG 90 -7.645 -4.673 8.663 656 1HH2 ARG 90 HH21 ARG 90 -7.787 -2.900 5.625 657 2HH2 ARG 90 HH22 ARG 90 -8.172 -4.396 6.425 658 H MET 91 HN MET 91 -3.670 4.514 9.615 659 HA MET 91 HA MET 91 -1.329 3.556 10.850 660 1HB MET 91 HB2 MET 91 -0.444 5.780 10.607 661 2HB MET 91 HB1 MET 91 -1.387 5.392 9.175 662 1HG MET 91 HG2 MET 91 -3.201 6.759 9.917 663 2HG MET 91 HG1 MET 91 -2.437 7.008 11.485 664 1HE MET 91 HE1 MET 91 -2.284 7.747 7.652 665 2HE MET 91 HE2 MET 91 -0.680 7.069 7.931 666 3HE MET 91 HE3 MET 91 -0.857 8.775 7.522 667 H THR 92 HN THR 92 -0.368 3.956 12.809 668 HA THR 92 HA THR 92 -2.113 4.984 14.927 669 HB THR 92 HB THR 92 0.605 3.742 15.339 670 HG1 THR 92 HG1 THR 92 -0.520 2.162 14.255 671 1HG2 THR 92 HG21 THR 92 -0.343 3.171 17.533 672 2HG2 THR 92 HG22 THR 92 -1.857 3.954 17.077 673 3HG2 THR 92 HG23 THR 92 -0.385 4.911 17.242 674 HA PRO 93 HA PRO 93 0.330 8.741 14.332 675 1HB PRO 93 HB2 PRO 93 -1.654 9.994 16.056 676 2HB PRO 93 HB1 PRO 93 -1.321 10.290 14.349 677 1HG PRO 93 HG2 PRO 93 -3.599 9.103 15.214 678 2HG PRO 93 HG1 PRO 93 -2.859 8.739 13.644 679 1HD PRO 93 HD2 PRO 93 -2.720 7.194 16.209 680 2HD PRO 93 HD1 PRO 93 -2.941 6.602 14.547 681 H HIS 94 HN HIS 94 1.457 10.224 15.736 682 HA HIS 94 HA HIS 94 2.483 9.022 18.078 683 1HB HIS 94 HB2 HIS 94 3.770 11.036 18.406 684 2HB HIS 94 HB1 HIS 94 3.752 10.664 16.690 685 HD1 HIS 94 HD1 HIS 94 2.062 12.208 15.220 686 HD2 HIS 94 HD2 HIS 94 2.984 13.560 19.045 687 HE1 HIS 94 HE1 HIS 94 1.447 14.643 15.246 688 HE2 HIS 94 HE2 HIS 94 2.203 15.482 17.497 689 H ASN 95 HN ASN 95 1.749 9.002 20.103 690 HA ASN 95 HA ASN 95 -0.798 10.258 20.610 691 1HB ASN 95 HB2 ASN 95 -0.991 8.885 22.493 692 2HB ASN 95 HB1 ASN 95 -0.071 7.901 21.363 693 1HD2 ASN 95 HD21 ASN 95 2.080 7.434 21.805 694 2HD2 ASN 95 HD22 ASN 95 2.778 7.714 23.365 695 H GLY 96 HN GLY 96 2.415 11.155 21.058 696 1HA GLY 96 HA2 GLY 96 1.658 13.519 22.494 697 2HA GLY 96 HA1 GLY 96 2.603 12.404 23.471 698 HA PRO 97 HA PRO 97 5.406 15.249 21.011 699 1HB PRO 97 HB2 PRO 97 6.672 15.774 23.595 700 2HB PRO 97 HB1 PRO 97 5.994 16.915 22.432 701 1HG PRO 97 HG2 PRO 97 4.833 16.417 24.821 702 2HG PRO 97 HG1 PRO 97 3.899 16.837 23.373 703 1HD PRO 97 HD2 PRO 97 4.360 14.156 24.624 704 2HD PRO 97 HD1 PRO 97 2.877 14.830 23.913 705 H ILE 98 HN ILE 98 6.949 14.136 20.019 706 HA ILE 98 HA ILE 98 8.626 12.302 21.607 707 HB ILE 98 HB ILE 98 8.166 12.315 18.618 708 1HG1 ILE 98 HG12 ILE 98 7.116 10.431 20.742 709 2HG1 ILE 98 HG11 ILE 98 6.161 11.638 19.886 710 1HG2 ILE 98 HG21 ILE 98 9.337 10.167 18.643 711 2HG2 ILE 98 HG22 ILE 98 9.617 10.339 20.375 712 3HG2 ILE 98 HG23 ILE 98 10.367 11.466 19.245 713 1HD1 ILE 98 HD11 ILE 98 6.586 10.472 17.782 714 2HD1 ILE 98 HD12 ILE 98 5.798 9.431 18.968 715 3HD1 ILE 98 HD13 ILE 98 7.524 9.259 18.654 716 HA PRO 99 HA PRO 99 11.881 15.292 20.856 717 1HB PRO 99 HB2 PRO 99 13.901 13.790 21.915 718 2HB PRO 99 HB1 PRO 99 12.775 14.740 22.891 719 1HG PRO 99 HG2 PRO 99 12.770 11.812 22.298 720 2HG PRO 99 HG1 PRO 99 12.405 12.650 23.817 721 1HD PRO 99 HD2 PRO 99 10.478 11.681 22.173 722 2HD PRO 99 HD1 PRO 99 10.244 13.123 23.182 723 H ARG 100 HN ARG 100 12.413 15.472 18.781 724 HA ARG 100 HA ARG 100 13.285 13.181 17.231 725 1HB ARG 100 HB2 ARG 100 11.714 14.903 16.339 726 2HB ARG 100 HB1 ARG 100 13.002 16.089 16.435 727 1HG ARG 100 HG2 ARG 100 13.304 13.601 14.796 728 2HG ARG 100 HG1 ARG 100 12.471 15.021 14.168 729 1HD ARG 100 HD2 ARG 100 15.333 14.830 15.093 730 2HD ARG 100 HD1 ARG 100 14.754 15.093 13.448 731 HE ARG 100 HE ARG 100 13.848 17.129 15.240 732 1HH1 ARG 100 HH11 ARG 100 16.560 16.076 13.276 733 2HH1 ARG 100 HH12 ARG 100 17.280 17.660 13.209 734 1HH2 ARG 100 HH21 ARG 100 14.797 19.207 15.146 735 2HH2 ARG 100 HH22 ARG 100 16.287 19.434 14.278 736 H TYR 101 HN TYR 101 15.345 12.596 17.066 737 HA TYR 101 HA TYR 101 17.414 14.496 17.887 738 1HB TYR 101 HB2 TYR 101 17.456 11.489 17.599 739 2HB TYR 101 HB1 TYR 101 18.885 12.449 17.967 740 HD1 TYR 101 HD1 TYR 101 19.132 13.531 20.139 741 HD2 TYR 101 HD2 TYR 101 15.724 11.143 19.260 742 HE1 TYR 101 HE1 TYR 101 18.579 13.450 22.533 743 HE2 TYR 101 HE2 TYR 101 15.161 11.057 21.651 744 HH TYR 101 HH TYR 101 16.698 13.064 23.974 745 H VAL 102 HN VAL 102 16.595 12.308 15.217 746 HA VAL 102 HA VAL 102 18.738 13.558 13.650 747 HB VAL 102 HB VAL 102 18.485 11.554 12.118 748 1HG1 VAL 102 HG11 VAL 102 19.372 11.058 14.960 749 2HG1 VAL 102 HG12 VAL 102 20.339 11.801 13.686 750 3HG1 VAL 102 HG13 VAL 102 19.848 10.113 13.550 751 1HG2 VAL 102 HG21 VAL 102 17.501 9.530 13.086 752 2HG2 VAL 102 HG22 VAL 102 16.290 10.796 12.876 753 3HG2 VAL 102 HG23 VAL 102 16.949 10.462 14.478 Start of MODEL 9 1 1H MET 1 HT1 MET 1 4.315 1.033 -2.496 2 2H MET 1 HT2 MET 1 5.729 0.374 -1.831 3 3H MET 1 HT3 MET 1 4.940 1.652 -1.044 4 HA MET 1 HA MET 1 4.556 -0.507 0.021 5 1HB MET 1 HB2 MET 1 2.148 -0.238 0.266 6 2HB MET 1 HB1 MET 1 2.929 1.337 0.234 7 1HG MET 1 HG2 MET 1 2.293 1.593 -2.119 8 2HG MET 1 HG1 MET 1 1.486 0.029 -2.061 9 1HE MET 1 HE1 MET 1 -0.767 1.073 -2.952 10 2HE MET 1 HE2 MET 1 0.025 2.644 -3.069 11 3HE MET 1 HE3 MET 1 -1.531 2.501 -2.252 12 H THR 2 HN THR 2 3.085 -2.429 -0.070 13 HA THR 2 HA THR 2 2.605 -3.404 -2.790 14 HB THR 2 HB THR 2 4.791 -4.311 -2.049 15 HG1 THR 2 HG1 THR 2 3.270 -5.566 -3.383 16 1HG2 THR 2 HG21 THR 2 4.407 -4.363 0.354 17 2HG2 THR 2 HG22 THR 2 4.869 -5.959 -0.237 18 3HG2 THR 2 HG23 THR 2 3.182 -5.616 0.147 19 H MET 3 HN MET 3 1.491 -5.742 -2.434 20 HA MET 3 HA MET 3 -1.040 -5.239 -1.301 21 1HB MET 3 HB2 MET 3 -0.628 -6.821 -3.160 22 2HB MET 3 HB1 MET 3 0.224 -7.884 -2.051 23 1HG MET 3 HG2 MET 3 -1.848 -8.155 -0.754 24 2HG MET 3 HG1 MET 3 -2.690 -7.142 -1.926 25 1HE MET 3 HE1 MET 3 -0.969 -10.576 -1.227 26 2HE MET 3 HE2 MET 3 0.076 -9.903 -2.479 27 3HE MET 3 HE3 MET 3 -0.928 -11.309 -2.831 28 H GLY 4 HN GLY 4 -1.959 -5.843 0.618 29 1HA GLY 4 HA2 GLY 4 -0.258 -6.275 2.853 30 2HA GLY 4 HA1 GLY 4 -2.015 -6.339 2.862 31 H CYS 5 HN CYS 5 -0.266 -8.079 4.311 32 HA CYS 5 HA CYS 5 -0.731 -10.622 2.908 33 1HB CYS 5 HB2 CYS 5 1.076 -11.588 4.171 34 2HB CYS 5 HB1 CYS 5 1.652 -10.100 3.434 35 H ARG 6 HN ARG 6 -1.375 -12.457 4.279 36 HA ARG 6 HA ARG 6 -3.743 -11.890 5.606 37 1HB ARG 6 HB2 ARG 6 -3.829 -14.215 6.208 38 2HB ARG 6 HB1 ARG 6 -3.133 -14.077 4.601 39 1HG ARG 6 HG2 ARG 6 -0.869 -14.251 5.701 40 2HG ARG 6 HG1 ARG 6 -1.724 -14.690 7.181 41 1HD ARG 6 HD2 ARG 6 -2.806 -16.546 5.921 42 2HD ARG 6 HD1 ARG 6 -1.781 -16.145 4.543 43 HE ARG 6 HE ARG 6 -0.544 -16.822 7.112 44 1HH1 ARG 6 HH11 ARG 6 -1.109 -17.547 3.730 45 2HH1 ARG 6 HH12 ARG 6 0.072 -18.822 3.680 46 1HH2 ARG 6 HH21 ARG 6 0.999 -18.507 7.045 47 2HH2 ARG 6 HH22 ARG 6 1.240 -19.389 5.571 48 H HIS 7 HN HIS 7 -0.536 -11.893 6.880 49 HA HIS 7 HA HIS 7 -1.029 -12.268 9.599 50 1HB HIS 7 HB2 HIS 7 1.065 -10.588 8.214 51 2HB HIS 7 HB1 HIS 7 1.056 -10.904 9.947 52 HD2 HIS 7 HD2 HIS 7 0.477 -14.078 9.938 53 HE1 HIS 7 HE1 HIS 7 3.830 -14.280 7.372 54 HE2 HIS 7 HE2 HIS 7 2.198 -15.626 8.767 55 H VAL 8 HN VAL 8 -1.775 -9.567 7.560 56 HA VAL 8 HA VAL 8 -1.988 -7.523 9.467 57 HB VAL 8 HB VAL 8 -2.112 -7.155 7.012 58 1HG1 VAL 8 HG11 VAL 8 -3.597 -8.966 6.421 59 2HG1 VAL 8 HG12 VAL 8 -4.238 -7.421 5.864 60 3HG1 VAL 8 HG13 VAL 8 -4.914 -8.192 7.298 61 1HG2 VAL 8 HG21 VAL 8 -3.949 -5.438 7.087 62 2HG2 VAL 8 HG22 VAL 8 -2.745 -5.314 8.363 63 3HG2 VAL 8 HG23 VAL 8 -4.322 -6.020 8.710 64 H ALA 9 HN ALA 9 -4.057 -10.249 8.808 65 HA ALA 9 HA ALA 9 -6.377 -9.266 10.131 66 1HB ALA 9 HB1 ALA 9 -6.495 -11.090 8.523 67 2HB ALA 9 HB2 ALA 9 -7.143 -11.585 10.087 68 3HB ALA 9 HB3 ALA 9 -5.533 -12.109 9.594 69 H GLY 10 HN GLY 10 -3.366 -10.247 11.303 70 1HA GLY 10 HA2 GLY 10 -4.426 -11.053 13.914 71 2HA GLY 10 HA1 GLY 10 -2.745 -11.144 13.405 72 H ILE 11 HN ILE 11 -2.803 -8.406 12.340 73 HA ILE 11 HA ILE 11 -2.137 -7.071 14.818 74 HB ILE 11 HB ILE 11 -1.392 -5.214 13.334 75 1HG1 ILE 11 HG12 ILE 11 -2.297 -7.132 11.181 76 2HG1 ILE 11 HG11 ILE 11 -2.939 -5.529 11.499 77 1HG2 ILE 11 HG21 ILE 11 -0.314 -7.961 12.712 78 2HG2 ILE 11 HG22 ILE 11 0.181 -6.909 14.038 79 3HG2 ILE 11 HG23 ILE 11 0.520 -6.446 12.370 80 1HD1 ILE 11 HD11 ILE 11 -0.978 -4.492 10.680 81 2HD1 ILE 11 HD12 ILE 11 -1.443 -5.739 9.512 82 3HD1 ILE 11 HD13 ILE 11 -0.114 -6.029 10.636 83 H ARG 12 HN ARG 12 -3.038 -5.135 15.539 84 HA ARG 12 HA ARG 12 -5.537 -4.305 14.262 85 1HB ARG 12 HB2 ARG 12 -6.732 -4.226 16.354 86 2HB ARG 12 HB1 ARG 12 -6.116 -5.847 16.110 87 1HG ARG 12 HG2 ARG 12 -4.819 -3.797 17.890 88 2HG ARG 12 HG1 ARG 12 -5.968 -5.010 18.444 89 1HD ARG 12 HD2 ARG 12 -3.218 -5.428 17.309 90 2HD ARG 12 HD1 ARG 12 -3.804 -5.848 18.916 91 HE ARG 12 HE ARG 12 -4.178 -7.346 16.460 92 1HH1 ARG 12 HH11 ARG 12 -5.228 -6.913 19.782 93 2HH1 ARG 12 HH12 ARG 12 -5.791 -8.546 19.930 94 1HH2 ARG 12 HH21 ARG 12 -4.924 -9.480 16.676 95 2HH2 ARG 12 HH22 ARG 12 -5.637 -9.993 18.179 96 H THR 13 HN THR 13 -6.348 -2.234 15.572 97 HA THR 13 HA THR 13 -4.229 -0.310 15.472 98 HB THR 13 HB THR 13 -7.012 0.085 16.586 99 HG1 THR 13 HG1 THR 13 -7.537 0.719 14.427 100 1HG2 THR 13 HG21 THR 13 -5.010 2.000 15.373 101 2HG2 THR 13 HG22 THR 13 -5.455 1.901 17.077 102 3HG2 THR 13 HG23 THR 13 -6.645 2.420 15.884 103 H VAL 14 HN VAL 14 -2.759 -0.237 17.030 104 HA VAL 14 HA VAL 14 -3.509 -1.158 19.707 105 HB VAL 14 HB VAL 14 -1.047 -1.411 20.066 106 1HG1 VAL 14 HG11 VAL 14 -2.237 -2.920 17.743 107 2HG1 VAL 14 HG12 VAL 14 -2.419 -3.314 19.452 108 3HG1 VAL 14 HG13 VAL 14 -0.835 -3.430 18.686 109 1HG2 VAL 14 HG21 VAL 14 0.413 -1.411 18.081 110 2HG2 VAL 14 HG22 VAL 14 -0.243 0.189 18.426 111 3HG2 VAL 14 HG23 VAL 14 -0.922 -0.778 17.117 112 H THR 15 HN THR 15 -2.543 -0.115 21.552 113 HA THR 15 HA THR 15 -2.407 2.782 21.236 114 HB THR 15 HB THR 15 -2.501 1.135 23.772 115 HG1 THR 15 HG1 THR 15 -4.669 2.586 22.640 116 1HG2 THR 15 HG21 THR 15 -2.995 4.077 23.287 117 2HG2 THR 15 HG22 THR 15 -1.600 3.380 24.109 118 3HG2 THR 15 HG23 THR 15 -3.205 3.240 24.826 119 HA PRO 16 HA PRO 16 2.074 2.590 21.553 120 1HB PRO 16 HB2 PRO 16 2.356 5.288 22.090 121 2HB PRO 16 HB1 PRO 16 2.271 4.588 20.470 122 1HG PRO 16 HG2 PRO 16 0.135 5.910 22.082 123 2HG PRO 16 HG1 PRO 16 0.447 6.001 20.339 124 1HD PRO 16 HD2 PRO 16 -1.530 4.484 21.361 125 2HD PRO 16 HD1 PRO 16 -0.619 3.996 19.917 126 H SER 17 HN SER 17 2.799 1.682 23.359 127 HA SER 17 HA SER 17 1.847 2.396 25.959 128 1HB SER 17 HB2 SER 17 3.799 0.738 26.577 129 2HB SER 17 HB1 SER 17 2.329 0.138 25.807 130 HG SER 17 HG SER 17 3.379 -0.108 23.931 131 H ALA 18 HN ALA 18 4.187 3.702 23.965 132 HA ALA 18 HA ALA 18 5.201 5.372 26.083 133 1HB ALA 18 HB1 ALA 18 6.740 3.500 26.258 134 2HB ALA 18 HB2 ALA 18 7.572 4.903 25.587 135 3HB ALA 18 HB3 ALA 18 7.073 3.584 24.529 136 H LEU 19 HN LEU 19 6.189 7.275 25.282 137 HA LEU 19 HA LEU 19 5.447 7.980 22.588 138 1HB LEU 19 HB2 LEU 19 6.811 9.440 24.834 139 2HB LEU 19 HB1 LEU 19 6.787 10.118 23.219 140 HG LEU 19 HG LEU 19 5.026 11.124 24.485 141 1HD1 LEU 19 HD11 LEU 19 4.516 10.681 22.164 142 2HD1 LEU 19 HD12 LEU 19 3.064 10.517 23.151 143 3HD1 LEU 19 HD13 LEU 19 3.908 9.078 22.579 144 1HD2 LEU 19 HD21 LEU 19 3.219 9.840 25.503 145 2HD2 LEU 19 HD22 LEU 19 4.778 9.423 26.215 146 3HD2 LEU 19 HD23 LEU 19 4.023 8.337 25.049 147 H GLY 20 HN GLY 20 8.457 7.525 24.371 148 1HA GLY 20 HA2 GLY 20 9.891 7.412 21.803 149 2HA GLY 20 HA1 GLY 20 10.635 7.780 23.354 150 H CYS 21 HN CYS 21 12.132 6.053 22.601 151 HA CYS 21 HA CYS 21 11.163 3.351 22.649 152 1HB CYS 21 HB2 CYS 21 13.110 3.940 21.285 153 2HB CYS 21 HB1 CYS 21 13.989 4.434 22.727 154 HG CYS 21 HG CYS 21 15.216 2.142 22.501 155 H GLU 22 HN GLU 22 10.239 2.888 24.603 156 HA GLU 22 HA GLU 22 11.398 3.509 27.106 157 1HB GLU 22 HB2 GLU 22 9.000 2.883 26.784 158 2HB GLU 22 HB1 GLU 22 9.515 1.227 26.483 159 1HG GLU 22 HG2 GLU 22 8.780 1.402 28.747 160 2HG GLU 22 HG1 GLU 22 10.530 1.180 28.738 161 H GLU 23 HN GLU 23 13.468 2.984 27.157 162 HA GLU 23 HA GLU 23 14.535 0.607 27.935 163 1HB GLU 23 HB2 GLU 23 13.752 -0.285 25.719 164 2HB GLU 23 HB1 GLU 23 14.784 0.893 24.923 165 1HG GLU 23 HG2 GLU 23 15.827 -1.280 24.942 166 2HG GLU 23 HG1 GLU 23 16.749 -0.146 25.928 167 H CYS 24 HN CYS 24 15.385 2.702 25.204 168 HA CYS 24 HA CYS 24 17.943 3.388 26.185 169 1HB CYS 24 HB2 CYS 24 16.241 4.919 24.205 170 2HB CYS 24 HB1 CYS 24 17.991 5.007 24.379 171 HG CYS 24 HG CYS 24 18.345 3.364 22.441 172 H LEU 25 HN LEU 25 14.755 4.688 26.651 173 HA LEU 25 HA LEU 25 15.421 7.261 27.565 174 1HB LEU 25 HB2 LEU 25 13.031 5.516 28.115 175 2HB LEU 25 HB1 LEU 25 13.153 7.180 28.650 176 HG LEU 25 HG LEU 25 13.208 6.280 25.768 177 1HD1 LEU 25 HD11 LEU 25 11.018 5.947 26.783 178 2HD1 LEU 25 HD12 LEU 25 10.985 7.288 25.638 179 3HD1 LEU 25 HD13 LEU 25 11.027 7.610 27.371 180 1HD2 LEU 25 HD21 LEU 25 13.100 9.038 26.985 181 2HD2 LEU 25 HD22 LEU 25 13.003 8.661 25.265 182 3HD2 LEU 25 HD23 LEU 25 14.486 8.325 26.159 183 H LYS 26 HN LYS 26 15.815 4.215 29.128 184 HA LYS 26 HA LYS 26 15.501 5.184 31.813 185 1HB LYS 26 HB2 LYS 26 16.270 3.060 32.546 186 2HB LYS 26 HB1 LYS 26 15.300 2.756 31.111 187 1HG LYS 26 HG2 LYS 26 17.384 2.633 29.783 188 2HG LYS 26 HG1 LYS 26 18.304 2.814 31.276 189 1HD LYS 26 HD2 LYS 26 18.049 0.457 30.485 190 2HD LYS 26 HD1 LYS 26 17.463 0.746 32.126 191 1HE LYS 26 HE2 LYS 26 15.210 0.769 31.408 192 2HE LYS 26 HE1 LYS 26 15.683 0.822 29.712 193 1HZ LYS 26 HZ1 LYS 26 16.234 -1.392 29.697 194 2HZ LYS 26 HZ2 LYS 26 14.927 -1.408 30.781 195 3HZ LYS 26 HZ3 LYS 26 16.514 -1.462 31.368 196 H ILE 27 HN ILE 27 18.065 5.107 29.490 197 HA ILE 27 HA ILE 27 19.939 5.968 31.568 198 HB ILE 27 HB ILE 27 21.747 5.419 29.900 199 1HG1 ILE 27 HG12 ILE 27 19.472 3.990 28.501 200 2HG1 ILE 27 HG11 ILE 27 20.322 5.402 27.883 201 1HG2 ILE 27 HG21 ILE 27 21.204 3.986 31.805 202 2HG2 ILE 27 HG22 ILE 27 21.719 3.042 30.408 203 3HG2 ILE 27 HG23 ILE 27 20.009 3.137 30.824 204 1HD1 ILE 27 HD11 ILE 27 22.381 4.114 27.752 205 2HD1 ILE 27 HD12 ILE 27 21.090 3.349 26.825 206 3HD1 ILE 27 HD13 ILE 27 21.546 2.704 28.402 207 H GLY 28 HN GLY 28 18.256 6.941 28.756 208 1HA GLY 28 HA2 GLY 28 18.048 9.214 28.109 209 2HA GLY 28 HA1 GLY 28 19.614 9.538 28.838 210 H SER 29 HN SER 29 19.047 6.822 26.733 211 HA SER 29 HA SER 29 21.097 7.805 24.927 212 1HB SER 29 HB2 SER 29 21.099 5.445 25.749 213 2HB SER 29 HB1 SER 29 19.583 5.178 24.893 214 HG SER 29 HG SER 29 22.138 5.759 23.802 215 HA PRO 30 HA PRO 30 18.120 9.166 21.912 216 1HB PRO 30 HB2 PRO 30 20.138 9.126 19.859 217 2HB PRO 30 HB1 PRO 30 19.496 10.517 20.732 218 1HG PRO 30 HG2 PRO 30 22.068 9.582 20.981 219 2HG PRO 30 HG1 PRO 30 21.225 10.531 22.218 220 1HD PRO 30 HD2 PRO 30 21.677 7.580 22.068 221 2HD PRO 30 HD1 PRO 30 21.714 8.659 23.479 222 H TRP 31 HN TRP 31 18.033 8.690 19.281 223 HA TRP 31 HA TRP 31 18.455 5.951 18.583 224 1HB TRP 31 HB2 TRP 31 16.022 5.471 18.153 225 2HB TRP 31 HB1 TRP 31 16.454 5.551 19.857 226 HD1 TRP 31 HD1 TRP 31 14.793 7.798 17.158 227 HE1 TRP 31 HE1 TRP 31 13.089 9.325 18.342 228 HE3 TRP 31 HE3 TRP 31 15.710 6.427 21.998 229 HZ2 TRP 31 HZ2 TRP 31 12.242 9.862 20.982 230 HZ3 TRP 31 HZ3 TRP 31 14.407 7.492 23.792 231 HH2 TRP 31 HH2 TRP 31 12.710 9.174 23.293 232 H VAL 32 HN VAL 32 17.480 5.518 16.364 233 HA VAL 32 HA VAL 32 17.766 7.935 14.745 234 HB VAL 32 HB VAL 32 17.561 5.054 13.838 235 1HG1 VAL 32 HG11 VAL 32 18.312 7.557 12.324 236 2HG1 VAL 32 HG12 VAL 32 16.834 6.615 12.119 237 3HG1 VAL 32 HG13 VAL 32 18.394 5.913 11.690 238 1HG2 VAL 32 HG21 VAL 32 19.980 6.833 14.139 239 2HG2 VAL 32 HG22 VAL 32 19.975 5.211 13.446 240 3HG2 VAL 32 HG23 VAL 32 19.579 5.444 15.149 241 H HIS 33 HN HIS 33 15.619 5.064 14.581 242 HA HIS 33 HA HIS 33 13.375 6.919 14.235 243 1HB HIS 33 HB2 HIS 33 13.984 4.483 12.549 244 2HB HIS 33 HB1 HIS 33 12.396 5.236 12.602 245 HD1 HIS 33 HD1 HIS 33 15.136 5.129 10.451 246 HD2 HIS 33 HD2 HIS 33 12.897 8.264 12.041 247 HE1 HIS 33 HE1 HIS 33 15.479 7.078 8.895 248 HE2 HIS 33 HE2 HIS 33 13.943 8.880 9.759 249 H LEU 34 HN LEU 34 11.489 6.311 15.185 250 HA LEU 34 HA LEU 34 11.555 3.900 16.848 251 1HB LEU 34 HB2 LEU 34 9.716 6.296 16.918 252 2HB LEU 34 HB1 LEU 34 9.590 4.910 17.983 253 HG LEU 34 HG LEU 34 11.919 6.825 17.868 254 1HD1 LEU 34 HD11 LEU 34 9.743 6.467 19.922 255 2HD1 LEU 34 HD12 LEU 34 9.917 7.831 18.818 256 3HD1 LEU 34 HD13 LEU 34 11.131 7.545 20.064 257 1HD2 LEU 34 HD21 LEU 34 12.610 4.564 18.470 258 2HD2 LEU 34 HD22 LEU 34 11.363 4.506 19.716 259 3HD2 LEU 34 HD23 LEU 34 12.702 5.645 19.861 260 H ARG 35 HN ARG 35 10.222 2.229 16.457 261 HA ARG 35 HA ARG 35 8.024 2.656 14.550 262 1HB ARG 35 HB2 ARG 35 9.768 0.185 14.701 263 2HB ARG 35 HB1 ARG 35 8.399 0.419 13.623 264 1HG ARG 35 HG2 ARG 35 9.622 2.317 12.576 265 2HG ARG 35 HG1 ARG 35 11.016 1.912 13.581 266 1HD ARG 35 HD2 ARG 35 10.792 -0.441 12.579 267 2HD ARG 35 HD1 ARG 35 9.762 0.316 11.369 268 HE ARG 35 HE ARG 35 12.312 1.610 11.701 269 1HH1 ARG 35 HH11 ARG 35 10.556 -0.883 9.983 270 2HH1 ARG 35 HH12 ARG 35 11.756 -1.054 8.734 271 1HH2 ARG 35 HH21 ARG 35 13.934 1.346 10.096 272 2HH2 ARG 35 HH22 ARG 35 13.685 0.190 8.818 273 H ILE 36 HN ILE 36 6.106 1.776 15.108 274 HA ILE 36 HA ILE 36 5.976 0.680 17.828 275 HB ILE 36 HB ILE 36 4.602 2.651 17.461 276 1HG1 ILE 36 HG12 ILE 36 2.879 0.170 17.655 277 2HG1 ILE 36 HG11 ILE 36 3.812 0.851 18.982 278 1HG2 ILE 36 HG21 ILE 36 2.722 2.657 15.905 279 2HG2 ILE 36 HG22 ILE 36 3.193 1.060 15.321 280 3HG2 ILE 36 HG23 ILE 36 4.253 2.444 15.056 281 1HD1 ILE 36 HD11 ILE 36 2.478 2.885 18.881 282 2HD1 ILE 36 HD12 ILE 36 1.468 1.461 19.132 283 3HD1 ILE 36 HD13 ILE 36 1.552 2.212 17.539 284 H CYS 37 HN CYS 37 5.372 -1.275 18.240 285 HA CYS 37 HA CYS 37 5.138 -3.188 16.117 286 1HB CYS 37 HB2 CYS 37 6.344 -3.576 18.245 287 2HB CYS 37 HB1 CYS 37 4.816 -3.474 19.105 288 H ARG 38 HN ARG 38 3.266 -3.567 15.074 289 HA ARG 38 HA ARG 38 0.837 -2.365 15.970 290 1HB ARG 38 HB2 ARG 38 1.480 -4.133 13.618 291 2HB ARG 38 HB1 ARG 38 -0.124 -3.480 13.913 292 1HG ARG 38 HG2 ARG 38 2.373 -1.852 13.480 293 2HG ARG 38 HG1 ARG 38 1.121 -2.163 12.277 294 1HD ARG 38 HD2 ARG 38 0.850 -0.615 14.849 295 2HD ARG 38 HD1 ARG 38 0.748 0.012 13.204 296 HE ARG 38 HE ARG 38 -1.226 -1.925 14.212 297 1HH1 ARG 38 HH11 ARG 38 -0.439 1.187 12.788 298 2HH1 ARG 38 HH12 ARG 38 -2.102 1.596 12.494 299 1HH2 ARG 38 HH21 ARG 38 -3.403 -1.357 13.828 300 2HH2 ARG 38 HH22 ARG 38 -3.773 0.169 13.084 301 H THR 39 HN THR 39 2.167 -5.133 17.053 302 HA THR 39 HA THR 39 -0.336 -6.637 17.124 303 HB THR 39 HB THR 39 2.253 -7.542 18.358 304 HG1 THR 39 HG1 THR 39 1.809 -8.535 15.851 305 1HG2 THR 39 HG21 THR 39 1.353 -9.766 17.820 306 2HG2 THR 39 HG22 THR 39 -0.084 -9.011 17.131 307 3HG2 THR 39 HG23 THR 39 0.255 -8.851 18.855 308 H CYS 40 HN CYS 40 2.171 -5.601 19.440 309 HA CYS 40 HA CYS 40 0.210 -5.933 21.592 310 1HB CYS 40 HB2 CYS 40 2.143 -6.084 23.100 311 2HB CYS 40 HB1 CYS 40 2.282 -7.237 21.781 312 H GLY 41 HN GLY 41 1.861 -3.531 19.819 313 1HA GLY 41 HA2 GLY 41 1.427 -1.249 19.909 314 2HA GLY 41 HA1 GLY 41 0.632 -1.486 21.454 315 H HIS 42 HN HIS 42 3.870 -2.735 21.034 316 HA HIS 42 HA HIS 42 4.761 -0.718 22.954 317 1HB HIS 42 HB2 HIS 42 5.193 -3.288 23.167 318 2HB HIS 42 HB1 HIS 42 6.500 -2.980 22.027 319 HD1 HIS 42 HD1 HIS 42 8.662 -2.138 23.004 320 HD2 HIS 42 HD2 HIS 42 5.459 -1.757 25.636 321 HE1 HIS 42 HE1 HIS 42 9.654 -1.355 25.183 322 HE2 HIS 42 HE2 HIS 42 7.703 -1.151 26.769 323 H VAL 43 HN VAL 43 6.307 0.770 22.542 324 HA VAL 43 HA VAL 43 7.167 1.027 19.741 325 HB VAL 43 HB VAL 43 7.127 3.163 21.886 326 1HG1 VAL 43 HG11 VAL 43 8.733 3.608 20.115 327 2HG1 VAL 43 HG12 VAL 43 7.371 4.723 20.008 328 3HG1 VAL 43 HG13 VAL 43 7.483 3.358 18.897 329 1HG2 VAL 43 HG21 VAL 43 5.130 2.613 19.694 330 2HG2 VAL 43 HG22 VAL 43 5.137 4.041 20.730 331 3HG2 VAL 43 HG23 VAL 43 4.860 2.446 21.429 332 H GLY 44 HN GLY 44 9.337 1.305 19.236 333 1HA GLY 44 HA2 GLY 44 11.318 1.747 21.262 334 2HA GLY 44 HA1 GLY 44 11.304 0.085 20.690 335 H CYS 45 HN CYS 45 13.565 1.537 20.357 336 HA CYS 45 HA CYS 45 13.676 2.797 17.801 337 1HB CYS 45 HB2 CYS 45 16.163 2.618 18.126 338 2HB CYS 45 HB1 CYS 45 15.313 3.447 19.424 339 HG CYS 45 HG CYS 45 17.263 2.013 20.679 340 H CYS 46 HN CYS 46 14.178 1.963 15.859 341 HA CYS 46 HA CYS 46 13.795 -0.896 15.652 342 1HB CYS 46 HB2 CYS 46 13.665 -0.281 13.168 343 2HB CYS 46 HB1 CYS 46 12.403 0.323 14.233 344 HG CYS 46 HG CYS 46 14.535 1.986 12.334 345 H ASP 47 HN ASP 47 14.940 -1.537 13.301 346 HA ASP 47 HA ASP 47 17.529 -2.312 13.981 347 1HB ASP 47 HB2 ASP 47 16.042 -3.414 12.304 348 2HB ASP 47 HB1 ASP 47 16.345 -2.076 11.204 349 H ASP 48 HN ASP 48 16.350 0.577 12.510 350 HA ASP 48 HA ASP 48 18.555 1.684 11.283 351 1HB ASP 48 HB2 ASP 48 16.541 3.070 13.072 352 2HB ASP 48 HB1 ASP 48 17.640 3.890 11.973 353 H SER 49 HN SER 49 17.912 1.261 14.699 354 HA SER 49 HA SER 49 20.281 2.860 15.393 355 1HB SER 49 HB2 SER 49 18.091 1.902 17.247 356 2HB SER 49 HB1 SER 49 19.304 3.145 17.565 357 HG SER 49 HG SER 49 17.910 3.701 15.324 358 HA PRO 50 HA PRO 50 22.553 -0.757 16.361 359 1HB PRO 50 HB2 PRO 50 24.093 0.101 18.444 360 2HB PRO 50 HB1 PRO 50 24.381 0.553 16.760 361 1HG PRO 50 HG2 PRO 50 22.992 2.085 18.924 362 2HG PRO 50 HG1 PRO 50 24.150 2.661 17.710 363 1HD PRO 50 HD2 PRO 50 21.496 3.045 17.450 364 2HD PRO 50 HD1 PRO 50 22.548 2.762 16.048 365 H HIS 51 HN HIS 51 20.531 0.642 18.786 366 HA HIS 51 HA HIS 51 20.946 -1.409 20.751 367 1HB HIS 51 HB2 HIS 51 20.030 1.027 21.058 368 2HB HIS 51 HB1 HIS 51 18.480 0.300 20.652 369 HD1 HIS 51 HD1 HIS 51 20.280 1.255 23.486 370 HD2 HIS 51 HD2 HIS 51 18.195 -2.204 22.479 371 HE1 HIS 51 HE1 HIS 51 19.697 0.148 25.670 372 HE2 HIS 51 HE2 HIS 51 18.556 -2.008 25.037 373 H LYS 52 HN LYS 52 18.816 -0.860 18.054 374 HA LYS 52 HA LYS 52 17.291 -2.147 16.964 375 1HB LYS 52 HB2 LYS 52 18.978 -4.433 17.987 376 2HB LYS 52 HB1 LYS 52 18.036 -4.378 16.500 377 1HG LYS 52 HG2 LYS 52 19.798 -2.186 16.428 378 2HG LYS 52 HG1 LYS 52 20.738 -3.579 16.949 379 1HD LYS 52 HD2 LYS 52 18.966 -3.515 14.515 380 2HD LYS 52 HD1 LYS 52 20.709 -3.249 14.493 381 1HE LYS 52 HE2 LYS 52 21.002 -5.507 15.494 382 2HE LYS 52 HE1 LYS 52 19.263 -5.757 15.326 383 1HZ LYS 52 HZ1 LYS 52 21.221 -5.310 13.144 384 2HZ LYS 52 HZ2 LYS 52 19.542 -5.333 12.914 385 3HZ LYS 52 HZ3 LYS 52 20.344 -6.726 13.456 386 H HIS 53 HN HIS 53 16.235 -1.440 19.373 387 HA HIS 53 HA HIS 53 15.469 -3.626 21.014 388 1HB HIS 53 HB2 HIS 53 15.574 -1.258 21.785 389 2HB HIS 53 HB1 HIS 53 14.166 -0.901 20.794 390 HD1 HIS 53 HD1 HIS 53 12.714 -0.250 22.814 391 HD2 HIS 53 HD2 HIS 53 14.216 -4.119 23.030 392 HE1 HIS 53 HE1 HIS 53 11.470 -1.354 24.697 393 HE2 HIS 53 HE2 HIS 53 12.506 -3.641 24.913 394 H ALA 54 HN ALA 54 14.095 -2.182 18.149 395 HA ALA 54 HA ALA 54 11.504 -3.362 18.469 396 1HB ALA 54 HB1 ALA 54 11.946 -1.297 17.140 397 2HB ALA 54 HB2 ALA 54 11.003 -2.523 16.295 398 3HB ALA 54 HB3 ALA 54 12.711 -2.315 15.919 399 H THR 55 HN THR 55 14.460 -4.288 16.750 400 HA THR 55 HA THR 55 13.160 -6.423 15.337 401 HB THR 55 HB THR 55 15.455 -7.059 14.622 402 HG1 THR 55 HG1 THR 55 17.136 -6.255 15.610 403 1HG2 THR 55 HG21 THR 55 14.182 -5.437 13.320 404 2HG2 THR 55 HG22 THR 55 15.899 -5.031 13.309 405 3HG2 THR 55 HG23 THR 55 14.786 -4.129 14.338 406 H ARG 56 HN ARG 56 15.348 -6.177 18.120 407 HA ARG 56 HA ARG 56 15.497 -8.954 18.627 408 1HB ARG 56 HB2 ARG 56 15.842 -6.599 20.489 409 2HB ARG 56 HB1 ARG 56 16.207 -8.265 20.923 410 1HG ARG 56 HG2 ARG 56 17.852 -8.357 19.102 411 2HG ARG 56 HG1 ARG 56 17.514 -6.664 18.738 412 1HD ARG 56 HD2 ARG 56 18.274 -6.019 20.957 413 2HD ARG 56 HD1 ARG 56 18.565 -7.712 21.362 414 HE ARG 56 HE ARG 56 20.113 -7.502 19.251 415 1HH1 ARG 56 HH11 ARG 56 19.698 -5.269 21.910 416 2HH1 ARG 56 HH12 ARG 56 21.284 -4.567 21.741 417 1HH2 ARG 56 HH21 ARG 56 22.186 -6.598 19.012 418 2HH2 ARG 56 HH22 ARG 56 22.703 -5.332 20.086 419 H HIS 57 HN HIS 57 13.152 -6.513 19.413 420 HA HIS 57 HA HIS 57 11.660 -7.935 21.321 421 1HB HIS 57 HB2 HIS 57 11.225 -5.591 20.978 422 2HB HIS 57 HB1 HIS 57 10.828 -5.860 19.284 423 HD1 HIS 57 HD1 HIS 57 9.416 -6.393 22.755 424 HD2 HIS 57 HD2 HIS 57 8.260 -6.626 18.764 425 HE1 HIS 57 HE1 HIS 57 6.911 -6.721 22.752 426 H PHE 58 HN PHE 58 11.411 -7.773 17.788 427 HA PHE 58 HA PHE 58 9.256 -9.549 17.495 428 1HB PHE 58 HB2 PHE 58 9.764 -8.282 15.593 429 2HB PHE 58 HB1 PHE 58 11.479 -8.672 15.676 430 HD1 PHE 58 HD1 PHE 58 8.213 -10.444 15.279 431 HD2 PHE 58 HD2 PHE 58 12.289 -10.136 14.137 432 HE1 PHE 58 HE1 PHE 58 7.888 -12.259 13.652 433 HE2 PHE 58 HE2 PHE 58 11.974 -11.946 12.503 434 HZ PHE 58 HZ PHE 58 9.773 -13.011 12.262 435 H HIS 59 HN HIS 59 12.725 -10.064 17.665 436 HA HIS 59 HA HIS 59 12.789 -12.778 16.980 437 1HB HIS 59 HB2 HIS 59 14.719 -11.081 17.286 438 2HB HIS 59 HB1 HIS 59 14.665 -11.543 18.983 439 HD1 HIS 59 HD1 HIS 59 15.688 -13.783 19.625 440 HD2 HIS 59 HD2 HIS 59 15.589 -13.117 15.520 441 HE1 HIS 59 HE1 HIS 59 17.115 -15.591 18.606 442 HE2 HIS 59 HE2 HIS 59 17.218 -15.024 16.148 443 H ALA 60 HN ALA 60 11.874 -11.175 19.913 444 HA ALA 60 HA ALA 60 11.942 -13.655 21.451 445 1HB ALA 60 HB1 ALA 60 11.246 -10.858 22.332 446 2HB ALA 60 HB2 ALA 60 12.839 -11.605 22.456 447 3HB ALA 60 HB3 ALA 60 11.485 -12.258 23.379 448 H THR 61 HN THR 61 9.581 -11.122 20.573 449 HA THR 61 HA THR 61 7.424 -12.576 21.819 450 HB THR 61 HB THR 61 5.991 -10.733 20.857 451 HG1 THR 61 HG1 THR 61 8.526 -9.612 20.170 452 1HG2 THR 61 HG21 THR 61 8.346 -9.826 22.511 453 2HG2 THR 61 HG22 THR 61 6.931 -10.668 23.142 454 3HG2 THR 61 HG23 THR 61 6.755 -9.062 22.430 455 H GLY 62 HN GLY 62 8.716 -12.309 18.608 456 1HA GLY 62 HA2 GLY 62 8.078 -13.362 16.655 457 2HA GLY 62 HA1 GLY 62 6.843 -14.214 17.573 458 H HIS 63 HN HIS 63 7.213 -10.729 17.408 459 HA HIS 63 HA HIS 63 4.570 -10.545 16.124 460 1HB HIS 63 HB2 HIS 63 6.126 -8.509 17.739 461 2HB HIS 63 HB1 HIS 63 4.601 -8.171 16.933 462 HD2 HIS 63 HD2 HIS 63 3.762 -11.430 18.231 463 HE1 HIS 63 HE1 HIS 63 3.286 -8.849 21.559 464 HE2 HIS 63 HE2 HIS 63 2.582 -11.059 20.522 465 HA PRO 64 HA PRO 64 7.474 -9.666 12.817 466 1HB PRO 64 HB2 PRO 64 5.943 -10.420 10.757 467 2HB PRO 64 HB1 PRO 64 6.640 -11.593 11.881 468 1HG PRO 64 HG2 PRO 64 3.859 -10.499 11.765 469 2HG PRO 64 HG1 PRO 64 4.397 -12.163 12.060 470 1HD PRO 64 HD2 PRO 64 3.651 -10.399 14.038 471 2HD PRO 64 HD1 PRO 64 4.735 -11.781 14.288 472 H ILE 65 HN ILE 65 4.442 -8.032 13.285 473 HA ILE 65 HA ILE 65 5.068 -6.316 10.980 474 HB ILE 65 HB ILE 65 2.381 -6.719 12.291 475 1HG1 ILE 65 HG12 ILE 65 3.452 -7.576 9.588 476 2HG1 ILE 65 HG11 ILE 65 3.161 -8.645 10.954 477 1HG2 ILE 65 HG21 ILE 65 3.200 -5.055 9.907 478 2HG2 ILE 65 HG22 ILE 65 2.623 -4.450 11.460 479 3HG2 ILE 65 HG23 ILE 65 1.538 -5.358 10.409 480 1HD1 ILE 65 HD11 ILE 65 1.064 -7.073 9.478 481 2HD1 ILE 65 HD12 ILE 65 0.780 -8.172 10.827 482 3HD1 ILE 65 HD13 ILE 65 1.392 -8.795 9.295 483 H ILE 66 HN ILE 66 5.666 -4.345 11.274 484 HA ILE 66 HA ILE 66 4.937 -2.925 13.747 485 HB ILE 66 HB ILE 66 7.158 -1.828 13.712 486 1HG1 ILE 66 HG12 ILE 66 7.852 -3.945 11.661 487 2HG1 ILE 66 HG11 ILE 66 7.636 -2.233 11.308 488 1HG2 ILE 66 HG21 ILE 66 8.434 -3.771 14.572 489 2HG2 ILE 66 HG22 ILE 66 7.161 -4.828 13.962 490 3HG2 ILE 66 HG23 ILE 66 6.801 -3.657 15.230 491 1HD1 ILE 66 HD11 ILE 66 9.972 -2.730 11.454 492 2HD1 ILE 66 HD12 ILE 66 9.758 -3.465 13.044 493 3HD1 ILE 66 HD13 ILE 66 9.508 -1.732 12.833 494 H GLU 67 HN GLU 67 5.056 -0.571 13.520 495 HA GLU 67 HA GLU 67 4.702 0.339 10.741 496 1HB GLU 67 HB2 GLU 67 2.513 0.106 11.767 497 2HB GLU 67 HB1 GLU 67 3.032 1.036 13.164 498 1HG GLU 67 HG2 GLU 67 3.190 3.033 11.840 499 2HG GLU 67 HG1 GLU 67 2.846 2.126 10.366 500 H GLY 68 HN GLY 68 5.423 2.441 10.293 501 1HA GLY 68 HA2 GLY 68 7.572 3.382 11.922 502 2HA GLY 68 HA1 GLY 68 6.935 4.172 10.486 503 H TYR 69 HN TYR 69 7.236 4.364 13.815 504 HA TYR 69 HA TYR 69 4.832 5.987 14.161 505 1HB TYR 69 HB2 TYR 69 5.568 4.159 15.815 506 2HB TYR 69 HB1 TYR 69 6.818 5.291 16.320 507 HD1 TYR 69 HD1 TYR 69 3.251 5.860 15.412 508 HD2 TYR 69 HD2 TYR 69 6.220 6.026 18.456 509 HE1 TYR 69 HE1 TYR 69 1.633 6.925 16.923 510 HE2 TYR 69 HE2 TYR 69 4.607 7.095 19.976 511 HH TYR 69 HH TYR 69 1.229 7.338 19.185 512 H ASP 70 HN ASP 70 8.361 6.206 14.455 513 HA ASP 70 HA ASP 70 8.397 8.983 15.048 514 1HB ASP 70 HB2 ASP 70 10.363 7.761 15.591 515 2HB ASP 70 HB1 ASP 70 10.520 7.134 13.959 516 HA PRO 71 HA PRO 71 8.187 9.710 10.434 517 1HB PRO 71 HB2 PRO 71 8.709 7.749 8.635 518 2HB PRO 71 HB1 PRO 71 9.983 8.708 9.394 519 1HG PRO 71 HG2 PRO 71 9.343 5.893 9.766 520 2HG PRO 71 HG1 PRO 71 10.763 6.794 10.318 521 1HD PRO 71 HD2 PRO 71 8.332 6.070 11.792 522 2HD PRO 71 HD1 PRO 71 9.898 6.625 12.408 523 HA PRO 72 HA PRO 72 4.161 7.474 10.710 524 1HB PRO 72 HB2 PRO 72 2.909 10.093 10.699 525 2HB PRO 72 HB1 PRO 72 2.911 8.874 11.975 526 1HG PRO 72 HG2 PRO 72 4.219 11.253 12.183 527 2HG PRO 72 HG1 PRO 72 4.742 9.777 13.013 528 1HD PRO 72 HD2 PRO 72 5.788 11.003 10.486 529 2HD PRO 72 HD1 PRO 72 6.681 10.269 11.837 530 H GLU 73 HN GLU 73 4.498 6.788 8.543 531 HA GLU 73 HA GLU 73 3.297 8.558 6.513 532 1HB GLU 73 HB2 GLU 73 5.106 6.175 6.099 533 2HB GLU 73 HB1 GLU 73 4.509 7.254 4.847 534 1HG GLU 73 HG2 GLU 73 5.794 9.074 5.733 535 2HG GLU 73 HG1 GLU 73 6.289 8.100 7.118 536 H GLY 74 HN GLY 74 2.797 5.803 8.377 537 1HA GLY 74 HA2 GLY 74 0.914 4.466 8.485 538 2HA GLY 74 HA1 GLY 74 0.323 5.241 7.025 539 H TRP 75 HN TRP 75 2.952 3.048 8.023 540 HA TRP 75 HA TRP 75 2.098 1.213 5.934 541 1HB TRP 75 HB2 TRP 75 4.514 0.817 5.285 542 2HB TRP 75 HB1 TRP 75 3.805 2.326 4.730 543 HD1 TRP 75 HD1 TRP 75 4.945 4.527 5.451 544 HE1 TRP 75 HE1 TRP 75 7.074 5.115 6.776 545 HE3 TRP 75 HE3 TRP 75 5.988 -0.093 7.375 546 HZ2 TRP 75 HZ2 TRP 75 8.943 3.784 8.424 547 HZ3 TRP 75 HZ3 TRP 75 7.968 -0.351 8.812 548 HH2 TRP 75 HH2 TRP 75 9.413 1.548 9.325 549 H GLY 76 HN GLY 76 2.660 -0.927 6.272 550 1HA GLY 76 HA2 GLY 76 3.616 -1.491 9.009 551 2HA GLY 76 HA1 GLY 76 2.404 -2.456 8.174 552 H TRP 77 HN TRP 77 5.545 -2.370 9.075 553 HA TRP 77 HA TRP 77 6.551 -3.805 6.732 554 1HB TRP 77 HB2 TRP 77 7.999 -2.073 7.720 555 2HB TRP 77 HB1 TRP 77 7.978 -2.930 9.257 556 HD1 TRP 77 HD1 TRP 77 9.712 -4.856 9.578 557 HE1 TRP 77 HE1 TRP 77 11.572 -5.870 8.106 558 HE3 TRP 77 HE3 TRP 77 8.541 -2.606 5.137 559 HZ2 TRP 77 HZ2 TRP 77 12.418 -5.726 5.420 560 HZ3 TRP 77 HZ3 TRP 77 9.927 -3.099 3.165 561 HH2 TRP 77 HH2 TRP 77 11.825 -4.627 3.305 562 H CYS 78 HN CYS 78 6.674 -5.946 6.679 563 HA CYS 78 HA CYS 78 6.077 -7.409 9.168 564 1HB CYS 78 HB2 CYS 78 4.519 -7.536 7.110 565 2HB CYS 78 HB1 CYS 78 5.785 -8.505 6.375 566 H TYR 79 HN TYR 79 7.979 -8.007 10.038 567 HA TYR 79 HA TYR 79 10.453 -8.127 8.902 568 1HB TYR 79 HB2 TYR 79 9.320 -9.715 11.192 569 2HB TYR 79 HB1 TYR 79 11.015 -9.812 10.739 570 HD1 TYR 79 HD1 TYR 79 12.315 -7.561 10.676 571 HD2 TYR 79 HD2 TYR 79 8.622 -8.109 12.716 572 HE1 TYR 79 HE1 TYR 79 12.830 -5.635 12.116 573 HE2 TYR 79 HE2 TYR 79 9.122 -6.179 14.150 574 HH TYR 79 HH TYR 79 11.129 -4.968 14.953 575 H VAL 80 HN VAL 80 8.392 -11.000 9.399 576 HA VAL 80 HA VAL 80 10.239 -12.781 8.217 577 HB VAL 80 HB VAL 80 8.331 -14.413 8.206 578 1HG1 VAL 80 HG11 VAL 80 8.168 -14.517 10.673 579 2HG1 VAL 80 HG12 VAL 80 8.916 -12.921 10.761 580 3HG1 VAL 80 HG13 VAL 80 9.818 -14.284 10.097 581 1HG2 VAL 80 HG21 VAL 80 6.279 -13.750 9.408 582 2HG2 VAL 80 HG22 VAL 80 6.481 -12.888 7.883 583 3HG2 VAL 80 HG23 VAL 80 6.843 -12.079 9.408 584 H ASP 81 HN ASP 81 7.908 -10.693 6.831 585 HA ASP 81 HA ASP 81 7.771 -12.216 4.332 586 1HB ASP 81 HB2 ASP 81 6.404 -9.627 5.112 587 2HB ASP 81 HB1 ASP 81 6.140 -10.507 3.616 588 H GLU 82 HN GLU 82 9.050 -9.296 5.728 589 HA GLU 82 HA GLU 82 10.387 -7.634 5.012 590 1HB GLU 82 HB2 GLU 82 11.143 -9.749 3.017 591 2HB GLU 82 HB1 GLU 82 11.850 -8.138 2.961 592 1HG GLU 82 HG2 GLU 82 12.619 -8.434 5.286 593 2HG GLU 82 HG1 GLU 82 11.992 -10.082 5.253 594 H VAL 83 HN VAL 83 7.641 -7.890 4.124 595 HA VAL 83 HA VAL 83 7.792 -6.185 1.735 596 HB VAL 83 HB VAL 83 5.514 -6.795 1.194 597 1HG1 VAL 83 HG11 VAL 83 7.229 -8.211 0.271 598 2HG1 VAL 83 HG12 VAL 83 5.817 -9.188 0.677 599 3HG1 VAL 83 HG13 VAL 83 7.234 -9.207 1.727 600 1HG2 VAL 83 HG21 VAL 83 4.311 -8.549 2.441 601 2HG2 VAL 83 HG22 VAL 83 4.587 -7.098 3.405 602 3HG2 VAL 83 HG23 VAL 83 5.587 -8.528 3.657 603 H MET 84 HN MET 84 6.644 -4.265 1.725 604 HA MET 84 HA MET 84 5.653 -3.391 4.359 605 1HB MET 84 HB2 MET 84 7.645 -2.177 3.582 606 2HB MET 84 HB1 MET 84 6.800 -1.733 2.105 607 1HG MET 84 HG2 MET 84 5.138 -0.519 3.489 608 2HG MET 84 HG1 MET 84 6.128 -0.868 4.905 609 1HE MET 84 HE1 MET 84 9.067 -0.608 3.785 610 2HE MET 84 HE2 MET 84 8.566 0.140 5.302 611 3HE MET 84 HE3 MET 84 9.425 1.092 4.091 612 H PHE 85 HN PHE 85 3.501 -3.522 4.366 613 HA PHE 85 HA PHE 85 2.034 -2.714 1.961 614 1HB PHE 85 HB2 PHE 85 0.038 -3.693 3.138 615 2HB PHE 85 HB1 PHE 85 1.305 -4.850 2.755 616 HD1 PHE 85 HD1 PHE 85 -0.425 -3.059 5.434 617 HD2 PHE 85 HD2 PHE 85 2.583 -5.917 4.488 618 HE1 PHE 85 HE1 PHE 85 -0.383 -3.789 7.781 619 HE2 PHE 85 HE2 PHE 85 2.631 -6.651 6.836 620 HZ PHE 85 HZ PHE 85 1.146 -5.584 8.484 621 H ASP 86 HN ASP 86 -0.053 -1.455 2.451 622 HA ASP 86 HA ASP 86 0.860 0.877 3.928 623 1HB ASP 86 HB2 ASP 86 -0.846 2.116 2.763 624 2HB ASP 86 HB1 ASP 86 0.018 1.118 1.600 625 H LEU 87 HN LEU 87 -0.061 1.719 5.663 626 HA LEU 87 HA LEU 87 -2.547 0.538 6.701 627 1HB LEU 87 HB2 LEU 87 0.035 1.012 8.184 628 2HB LEU 87 HB1 LEU 87 -1.502 0.869 9.013 629 HG LEU 87 HG LEU 87 -0.270 -1.281 7.286 630 1HD1 LEU 87 HD11 LEU 87 -0.450 -1.035 10.287 631 2HD1 LEU 87 HD12 LEU 87 1.020 -0.900 9.322 632 3HD1 LEU 87 HD13 LEU 87 0.153 -2.434 9.399 633 1HD2 LEU 87 HD21 LEU 87 -2.716 -1.355 7.351 634 2HD2 LEU 87 HD22 LEU 87 -2.670 -1.327 9.114 635 3HD2 LEU 87 HD23 LEU 87 -2.007 -2.706 8.236 636 H SER 88 HN SER 88 -1.877 3.017 5.239 637 HA SER 88 HA SER 88 -1.466 5.203 6.916 638 1HB SER 88 HB2 SER 88 -1.229 5.152 4.411 639 2HB SER 88 HB1 SER 88 -2.985 5.259 4.306 640 HG SER 88 HG SER 88 -2.374 7.331 4.229 641 H ASP 89 HN ASP 89 -4.495 3.646 5.931 642 HA ASP 89 HA ASP 89 -6.059 5.690 7.284 643 1HB ASP 89 HB2 ASP 89 -6.842 3.197 5.779 644 2HB ASP 89 HB1 ASP 89 -8.013 4.187 6.644 645 H ARG 90 HN ARG 90 -4.305 3.190 8.380 646 HA ARG 90 HA ARG 90 -6.103 2.767 10.679 647 1HB ARG 90 HB2 ARG 90 -4.347 0.665 9.385 648 2HB ARG 90 HB1 ARG 90 -5.337 0.436 10.820 649 1HG ARG 90 HG2 ARG 90 -7.352 0.807 9.496 650 2HG ARG 90 HG1 ARG 90 -6.360 1.049 8.056 651 1HD ARG 90 HD2 ARG 90 -5.486 -1.236 8.299 652 2HD ARG 90 HD1 ARG 90 -6.524 -1.472 9.705 653 HE ARG 90 HE ARG 90 -8.061 -0.655 7.468 654 1HH1 ARG 90 HH11 ARG 90 -6.361 -3.432 8.753 655 2HH1 ARG 90 HH12 ARG 90 -7.349 -4.589 7.916 656 1HH2 ARG 90 HH21 ARG 90 -9.363 -2.144 6.384 657 2HH2 ARG 90 HH22 ARG 90 -9.091 -3.850 6.583 658 H MET 91 HN MET 91 -3.645 4.439 9.972 659 HA MET 91 HA MET 91 -1.409 3.291 11.285 660 1HB MET 91 HB2 MET 91 -0.333 5.457 10.963 661 2HB MET 91 HB1 MET 91 -1.146 4.937 9.494 662 1HG MET 91 HG2 MET 91 -2.958 6.458 9.893 663 2HG MET 91 HG1 MET 91 -2.295 6.896 11.467 664 1HE MET 91 HE1 MET 91 0.961 8.803 10.510 665 2HE MET 91 HE2 MET 91 0.820 7.076 10.840 666 3HE MET 91 HE3 MET 91 -0.078 8.238 11.818 667 H THR 92 HN THR 92 -0.358 3.976 13.167 668 HA THR 92 HA THR 92 -2.166 4.696 15.312 669 HB THR 92 HB THR 92 0.808 4.320 15.596 670 HG1 THR 92 HG1 THR 92 0.098 2.514 14.432 671 1HG2 THR 92 HG21 THR 92 0.166 3.447 17.793 672 2HG2 THR 92 HG22 THR 92 -1.535 3.692 17.398 673 3HG2 THR 92 HG23 THR 92 -0.456 5.079 17.553 674 HA PRO 93 HA PRO 93 -0.911 9.001 14.864 675 1HB PRO 93 HB2 PRO 93 -2.698 10.022 16.608 676 2HB PRO 93 HB1 PRO 93 -3.161 9.500 14.984 677 1HG PRO 93 HG2 PRO 93 -3.477 8.072 17.594 678 2HG PRO 93 HG1 PRO 93 -4.619 8.205 16.244 679 1HD PRO 93 HD2 PRO 93 -3.041 6.016 16.681 680 2HD PRO 93 HD1 PRO 93 -3.624 6.500 15.077 681 H HIS 94 HN HIS 94 0.102 10.581 16.230 682 HA HIS 94 HA HIS 94 1.340 9.346 18.567 683 1HB HIS 94 HB2 HIS 94 3.021 11.037 18.477 684 2HB HIS 94 HB1 HIS 94 2.755 10.500 16.828 685 HD1 HIS 94 HD1 HIS 94 1.893 12.243 15.139 686 HD2 HIS 94 HD2 HIS 94 2.214 13.683 19.033 687 HE1 HIS 94 HE1 HIS 94 1.663 14.741 14.966 688 HE2 HIS 94 HE2 HIS 94 2.037 15.600 17.308 689 H ASN 95 HN ASN 95 0.858 9.859 20.600 690 HA ASN 95 HA ASN 95 -1.294 11.790 21.002 691 1HB ASN 95 HB2 ASN 95 -1.543 10.783 23.223 692 2HB ASN 95 HB1 ASN 95 -1.575 9.549 21.969 693 1HD2 ASN 95 HD21 ASN 95 0.105 8.086 21.822 694 2HD2 ASN 95 HD22 ASN 95 1.278 7.890 23.076 695 H GLY 96 HN GLY 96 2.041 11.714 21.192 696 1HA GLY 96 HA2 GLY 96 2.047 14.188 22.729 697 2HA GLY 96 HA1 GLY 96 2.993 12.856 23.378 698 HA PRO 97 HA PRO 97 5.491 15.193 20.180 699 1HB PRO 97 HB2 PRO 97 7.062 16.499 22.163 700 2HB PRO 97 HB1 PRO 97 5.877 17.229 21.081 701 1HG PRO 97 HG2 PRO 97 5.627 17.018 23.842 702 2HG PRO 97 HG1 PRO 97 4.300 17.321 22.710 703 1HD PRO 97 HD2 PRO 97 5.124 14.775 24.031 704 2HD PRO 97 HD1 PRO 97 3.498 15.366 23.626 705 H ILE 98 HN ILE 98 6.889 13.743 19.424 706 HA ILE 98 HA ILE 98 8.640 12.298 21.271 707 HB ILE 98 HB ILE 98 8.142 11.888 18.317 708 1HG1 ILE 98 HG12 ILE 98 7.176 10.357 20.743 709 2HG1 ILE 98 HG11 ILE 98 6.187 11.374 19.702 710 1HG2 ILE 98 HG21 ILE 98 10.363 11.139 18.919 711 2HG2 ILE 98 HG22 ILE 98 9.319 9.747 18.631 712 3HG2 ILE 98 HG23 ILE 98 9.714 10.227 20.282 713 1HD1 ILE 98 HD11 ILE 98 7.556 8.812 18.922 714 2HD1 ILE 98 HD12 ILE 98 6.624 9.841 17.834 715 3HD1 ILE 98 HD13 ILE 98 5.830 9.047 19.194 716 HA PRO 99 HA PRO 99 12.061 14.987 20.248 717 1HB PRO 99 HB2 PRO 99 14.012 13.327 21.246 718 2HB PRO 99 HB1 PRO 99 13.060 14.447 22.224 719 1HG PRO 99 HG2 PRO 99 12.716 11.508 21.826 720 2HG PRO 99 HG1 PRO 99 12.518 12.473 23.301 721 1HD PRO 99 HD2 PRO 99 10.416 11.608 21.843 722 2HD PRO 99 HD1 PRO 99 10.391 13.150 22.722 723 H ARG 100 HN ARG 100 12.443 15.073 18.149 724 HA ARG 100 HA ARG 100 13.094 12.714 16.596 725 1HB ARG 100 HB2 ARG 100 11.533 14.415 15.737 726 2HB ARG 100 HB1 ARG 100 12.795 15.629 15.824 727 1HG ARG 100 HG2 ARG 100 13.232 13.209 14.146 728 2HG ARG 100 HG1 ARG 100 12.168 14.489 13.561 729 1HD ARG 100 HD2 ARG 100 15.068 14.739 14.345 730 2HD ARG 100 HD1 ARG 100 14.389 14.873 12.724 731 HE ARG 100 HE ARG 100 13.122 16.813 14.202 732 1HH1 ARG 100 HH11 ARG 100 16.407 16.056 13.254 733 2HH1 ARG 100 HH12 ARG 100 16.974 17.692 13.450 734 1HH2 ARG 100 HH21 ARG 100 13.851 18.969 14.436 735 2HH2 ARG 100 HH22 ARG 100 15.515 19.359 14.092 736 H TYR 101 HN TYR 101 15.135 12.006 16.453 737 HA TYR 101 HA TYR 101 17.279 13.897 17.140 738 1HB TYR 101 HB2 TYR 101 17.219 10.882 17.237 739 2HB TYR 101 HB1 TYR 101 18.643 11.855 17.585 740 HD1 TYR 101 HD1 TYR 101 18.205 13.761 19.403 741 HD2 TYR 101 HD2 TYR 101 15.947 10.184 19.012 742 HE1 TYR 101 HE1 TYR 101 17.510 13.956 21.751 743 HE2 TYR 101 HE2 TYR 101 15.241 10.367 21.363 744 HH TYR 101 HH TYR 101 16.185 11.465 23.486 745 H VAL 102 HN VAL 102 15.978 12.362 14.451 746 HA VAL 102 HA VAL 102 18.429 11.967 13.020 747 HB VAL 102 HB VAL 102 16.928 11.828 10.979 748 1HG1 VAL 102 HG11 VAL 102 16.352 9.987 13.294 749 2HG1 VAL 102 HG12 VAL 102 17.726 9.872 12.196 750 3HG1 VAL 102 HG13 VAL 102 16.089 9.621 11.589 751 1HG2 VAL 102 HG21 VAL 102 14.759 11.956 13.076 752 2HG2 VAL 102 HG22 VAL 102 14.532 11.524 11.381 753 3HG2 VAL 102 HG23 VAL 102 15.053 13.152 11.813 Start of MODEL 10 1 1H MET 1 HT1 MET 1 4.004 -0.209 -2.434 2 2H MET 1 HT2 MET 1 3.947 -1.391 -3.644 3 3H MET 1 HT3 MET 1 4.499 -1.797 -2.098 4 HA MET 1 HA MET 1 2.330 -1.380 -1.166 5 1HB MET 1 HB2 MET 1 1.685 0.350 -2.830 6 2HB MET 1 HB1 MET 1 1.496 -0.911 -4.038 7 1HG MET 1 HG2 MET 1 -0.303 -1.908 -2.747 8 2HG MET 1 HG1 MET 1 -0.092 -0.689 -1.490 9 1HE MET 1 HE1 MET 1 -2.652 -0.061 -1.585 10 2HE MET 1 HE2 MET 1 -2.905 -1.295 -2.820 11 3HE MET 1 HE3 MET 1 -3.511 0.342 -3.073 12 H THR 2 HN THR 2 1.200 -3.211 -0.753 13 HA THR 2 HA THR 2 0.696 -5.233 -2.689 14 HB THR 2 HB THR 2 3.091 -5.712 -2.347 15 HG1 THR 2 HG1 THR 2 2.792 -7.875 -2.113 16 1HG2 THR 2 HG21 THR 2 2.326 -6.124 0.545 17 2HG2 THR 2 HG22 THR 2 3.371 -4.853 -0.087 18 3HG2 THR 2 HG23 THR 2 3.886 -6.538 -0.166 19 H MET 3 HN MET 3 -0.091 -7.303 -1.456 20 HA MET 3 HA MET 3 -2.089 -6.458 0.418 21 1HB MET 3 HB2 MET 3 -2.500 -8.241 -1.244 22 2HB MET 3 HB1 MET 3 -1.281 -9.240 -0.473 23 1HG MET 3 HG2 MET 3 -3.652 -8.275 1.074 24 2HG MET 3 HG1 MET 3 -3.779 -9.671 0.007 25 1HE MET 3 HE1 MET 3 -4.573 -11.148 2.076 26 2HE MET 3 HE2 MET 3 -4.430 -9.747 3.137 27 3HE MET 3 HE3 MET 3 -3.672 -11.275 3.586 28 H GLY 4 HN GLY 4 1.024 -8.022 0.553 29 1HA GLY 4 HA2 GLY 4 2.452 -7.941 2.426 30 2HA GLY 4 HA1 GLY 4 1.054 -7.638 3.449 31 H CYS 5 HN CYS 5 -0.260 -9.372 4.091 32 HA CYS 5 HA CYS 5 0.046 -12.045 3.369 33 1HB CYS 5 HB2 CYS 5 1.315 -12.909 5.328 34 2HB CYS 5 HB1 CYS 5 2.301 -11.928 4.249 35 H ARG 6 HN ARG 6 -0.752 -13.517 5.369 36 HA ARG 6 HA ARG 6 -3.306 -12.445 6.012 37 1HB ARG 6 HB2 ARG 6 -3.730 -14.543 7.145 38 2HB ARG 6 HB1 ARG 6 -2.941 -14.841 5.604 39 1HG ARG 6 HG2 ARG 6 -0.791 -15.108 6.820 40 2HG ARG 6 HG1 ARG 6 -1.681 -14.953 8.336 41 1HD ARG 6 HD2 ARG 6 -2.053 -17.080 6.230 42 2HD ARG 6 HD1 ARG 6 -1.336 -17.289 7.828 43 HE ARG 6 HE ARG 6 -3.646 -16.542 8.647 44 1HH1 ARG 6 HH11 ARG 6 -3.068 -18.432 5.752 45 2HH1 ARG 6 HH12 ARG 6 -4.641 -19.173 5.763 46 1HH2 ARG 6 HH21 ARG 6 -5.724 -17.489 8.654 47 2HH2 ARG 6 HH22 ARG 6 -6.149 -18.646 7.428 48 H HIS 7 HN HIS 7 -0.284 -12.300 7.576 49 HA HIS 7 HA HIS 7 -1.098 -12.010 10.258 50 1HB HIS 7 HB2 HIS 7 1.296 -10.821 8.840 51 2HB HIS 7 HB1 HIS 7 1.068 -10.836 10.583 52 HD2 HIS 7 HD2 HIS 7 0.153 -13.989 10.852 53 HE1 HIS 7 HE1 HIS 7 3.948 -14.682 9.120 54 HE2 HIS 7 HE2 HIS 7 1.922 -15.768 10.187 55 H VAL 8 HN VAL 8 -1.228 -9.860 7.537 56 HA VAL 8 HA VAL 8 -1.415 -7.400 8.962 57 HB VAL 8 HB VAL 8 -2.664 -7.956 6.278 58 1HG1 VAL 8 HG11 VAL 8 -3.258 -5.822 7.256 59 2HG1 VAL 8 HG12 VAL 8 -2.193 -5.586 5.870 60 3HG1 VAL 8 HG13 VAL 8 -1.553 -5.442 7.507 61 1HG2 VAL 8 HG21 VAL 8 -0.564 -7.345 5.249 62 2HG2 VAL 8 HG22 VAL 8 -0.376 -8.771 6.269 63 3HG2 VAL 8 HG23 VAL 8 0.185 -7.199 6.839 64 H ALA 9 HN ALA 9 -3.631 -9.921 8.097 65 HA ALA 9 HA ALA 9 -5.976 -8.387 8.602 66 1HB ALA 9 HB1 ALA 9 -7.181 -10.482 8.329 67 2HB ALA 9 HB2 ALA 9 -5.665 -11.380 8.402 68 3HB ALA 9 HB3 ALA 9 -5.981 -10.292 7.051 69 H GLY 10 HN GLY 10 -3.673 -9.918 10.525 70 1HA GLY 10 HA2 GLY 10 -5.493 -10.466 12.736 71 2HA GLY 10 HA1 GLY 10 -3.782 -10.860 12.674 72 H ILE 11 HN ILE 11 -3.137 -8.082 11.763 73 HA ILE 11 HA ILE 11 -2.777 -7.013 14.402 74 HB ILE 11 HB ILE 11 -1.596 -5.154 13.322 75 1HG1 ILE 11 HG12 ILE 11 -2.277 -6.544 10.721 76 2HG1 ILE 11 HG11 ILE 11 -3.001 -5.040 11.279 77 1HG2 ILE 11 HG21 ILE 11 0.237 -6.488 12.342 78 2HG2 ILE 11 HG22 ILE 11 -0.826 -7.896 12.339 79 3HG2 ILE 11 HG23 ILE 11 -0.358 -7.147 13.865 80 1HD1 ILE 11 HD11 ILE 11 -1.297 -4.590 9.643 81 2HD1 ILE 11 HD12 ILE 11 -0.110 -5.485 10.589 82 3HD1 ILE 11 HD13 ILE 11 -0.785 -3.982 11.217 83 H ARG 12 HN ARG 12 -3.448 -4.960 15.134 84 HA ARG 12 HA ARG 12 -5.816 -3.868 13.797 85 1HB ARG 12 HB2 ARG 12 -6.971 -3.690 15.979 86 2HB ARG 12 HB1 ARG 12 -6.693 -5.353 15.493 87 1HG ARG 12 HG2 ARG 12 -4.789 -3.970 17.339 88 2HG ARG 12 HG1 ARG 12 -6.293 -4.667 17.943 89 1HD ARG 12 HD2 ARG 12 -4.115 -6.126 16.451 90 2HD ARG 12 HD1 ARG 12 -4.463 -6.249 18.176 91 HE ARG 12 HE ARG 12 -6.366 -7.100 16.086 92 1HH1 ARG 12 HH11 ARG 12 -4.719 -7.598 19.129 93 2HH1 ARG 12 HH12 ARG 12 -5.603 -9.050 19.512 94 1HH2 ARG 12 HH21 ARG 12 -7.516 -9.000 16.564 95 2HH2 ARG 12 HH22 ARG 12 -7.163 -9.873 18.033 96 H THR 13 HN THR 13 -6.525 -1.889 15.461 97 HA THR 13 HA THR 13 -4.326 -0.032 15.393 98 HB THR 13 HB THR 13 -6.996 0.364 16.759 99 HG1 THR 13 HG1 THR 13 -6.271 0.484 14.014 100 1HG2 THR 13 HG21 THR 13 -5.058 2.303 15.485 101 2HG2 THR 13 HG22 THR 13 -5.287 2.062 17.217 102 3HG2 THR 13 HG23 THR 13 -6.596 2.725 16.239 103 H VAL 14 HN VAL 14 -2.925 0.372 17.019 104 HA VAL 14 HA VAL 14 -3.496 -0.887 19.617 105 HB VAL 14 HB VAL 14 -1.012 -1.274 19.794 106 1HG1 VAL 14 HG11 VAL 14 -1.046 -3.295 18.418 107 2HG1 VAL 14 HG12 VAL 14 -2.466 -2.691 17.565 108 3HG1 VAL 14 HG13 VAL 14 -2.568 -3.079 19.283 109 1HG2 VAL 14 HG21 VAL 14 0.268 -1.351 17.695 110 2HG2 VAL 14 HG22 VAL 14 -0.263 0.286 18.085 111 3HG2 VAL 14 HG23 VAL 14 -1.105 -0.642 16.844 112 H THR 15 HN THR 15 -2.609 0.072 21.460 113 HA THR 15 HA THR 15 -2.235 2.956 21.209 114 HB THR 15 HB THR 15 -2.679 1.195 23.630 115 HG1 THR 15 HG1 THR 15 -4.394 1.921 21.884 116 1HG2 THR 15 HG21 THR 15 -2.991 3.273 24.884 117 2HG2 THR 15 HG22 THR 15 -2.559 4.208 23.453 118 3HG2 THR 15 HG23 THR 15 -1.358 3.172 24.224 119 HA PRO 16 HA PRO 16 2.203 2.547 21.543 120 1HB PRO 16 HB2 PRO 16 1.970 5.358 22.457 121 2HB PRO 16 HB1 PRO 16 2.936 4.677 21.144 122 1HG PRO 16 HG2 PRO 16 0.742 6.097 20.625 123 2HG PRO 16 HG1 PRO 16 1.155 4.666 19.661 124 1HD PRO 16 HD2 PRO 16 -0.877 4.964 21.836 125 2HD PRO 16 HD1 PRO 16 -0.982 4.062 20.310 126 H SER 17 HN SER 17 3.363 1.804 23.178 127 HA SER 17 HA SER 17 2.424 1.825 25.847 128 1HB SER 17 HB2 SER 17 3.867 0.045 24.767 129 2HB SER 17 HB1 SER 17 5.230 1.150 24.935 130 HG SER 17 HG SER 17 5.119 0.988 27.117 131 H ALA 18 HN ALA 18 4.868 3.699 24.138 132 HA ALA 18 HA ALA 18 4.859 5.640 26.312 133 1HB ALA 18 HB1 ALA 18 7.274 5.759 26.437 134 2HB ALA 18 HB2 ALA 18 7.426 4.499 25.213 135 3HB ALA 18 HB3 ALA 18 6.742 4.115 26.793 136 H LEU 19 HN LEU 19 6.208 7.619 25.610 137 HA LEU 19 HA LEU 19 5.266 8.582 23.128 138 1HB LEU 19 HB2 LEU 19 7.581 9.601 24.785 139 2HB LEU 19 HB1 LEU 19 6.777 10.484 23.502 140 HG LEU 19 HG LEU 19 5.516 9.650 26.116 141 1HD1 LEU 19 HD11 LEU 19 5.540 12.028 26.635 142 2HD1 LEU 19 HD12 LEU 19 6.364 12.364 25.113 143 3HD1 LEU 19 HD13 LEU 19 7.176 11.427 26.367 144 1HD2 LEU 19 HD21 LEU 19 3.906 9.692 24.281 145 2HD2 LEU 19 HD22 LEU 19 4.426 11.323 23.856 146 3HD2 LEU 19 HD23 LEU 19 3.630 11.026 25.402 147 H GLY 20 HN GLY 20 8.487 7.535 24.166 148 1HA GLY 20 HA2 GLY 20 9.171 7.121 21.333 149 2HA GLY 20 HA1 GLY 20 10.330 7.733 22.504 150 H CYS 21 HN CYS 21 11.612 5.904 21.730 151 HA CYS 21 HA CYS 21 10.830 3.222 22.204 152 1HB CYS 21 HB2 CYS 21 12.619 3.890 20.621 153 2HB CYS 21 HB1 CYS 21 13.614 4.391 21.981 154 HG CYS 21 HG CYS 21 14.849 2.147 21.896 155 H GLU 22 HN GLU 22 10.438 2.393 24.150 156 HA GLU 22 HA GLU 22 11.142 3.640 26.574 157 1HB GLU 22 HB2 GLU 22 10.538 0.704 26.445 158 2HB GLU 22 HB1 GLU 22 10.058 1.879 27.659 159 1HG GLU 22 HG2 GLU 22 8.067 1.514 26.609 160 2HG GLU 22 HG1 GLU 22 8.666 2.891 25.683 161 H GLU 23 HN GLU 23 12.672 1.209 24.634 162 HA GLU 23 HA GLU 23 14.584 0.171 26.361 163 1HB GLU 23 HB2 GLU 23 14.085 -0.487 23.951 164 2HB GLU 23 HB1 GLU 23 15.071 0.885 23.469 165 1HG GLU 23 HG2 GLU 23 16.339 -1.162 23.362 166 2HG GLU 23 HG1 GLU 23 16.993 -0.091 24.600 167 H CYS 24 HN CYS 24 14.857 2.977 24.196 168 HA CYS 24 HA CYS 24 17.371 3.829 25.160 169 1HB CYS 24 HB2 CYS 24 15.200 5.408 23.764 170 2HB CYS 24 HB1 CYS 24 16.875 5.915 23.950 171 HG CYS 24 HG CYS 24 17.389 5.083 21.587 172 H LEU 25 HN LEU 25 14.053 4.531 26.071 173 HA LEU 25 HA LEU 25 14.599 6.760 27.722 174 1HB LEU 25 HB2 LEU 25 12.279 4.834 27.753 175 2HB LEU 25 HB1 LEU 25 12.339 6.333 28.659 176 HG LEU 25 HG LEU 25 12.381 6.092 25.648 177 1HD1 LEU 25 HD11 LEU 25 10.235 7.085 27.518 178 2HD1 LEU 25 HD12 LEU 25 10.208 5.561 26.632 179 3HD1 LEU 25 HD13 LEU 25 10.164 7.092 25.756 180 1HD2 LEU 25 HD21 LEU 25 13.678 8.006 26.425 181 2HD2 LEU 25 HD22 LEU 25 12.319 8.535 27.418 182 3HD2 LEU 25 HD23 LEU 25 12.178 8.527 25.660 183 H LYS 26 HN LYS 26 15.162 3.423 28.213 184 HA LYS 26 HA LYS 26 14.821 3.319 31.028 185 1HB LYS 26 HB2 LYS 26 15.578 1.166 30.882 186 2HB LYS 26 HB1 LYS 26 15.200 1.423 29.186 187 1HG LYS 26 HG2 LYS 26 17.664 2.157 28.979 188 2HG LYS 26 HG1 LYS 26 17.872 1.350 30.532 189 1HD LYS 26 HD2 LYS 26 16.903 0.124 27.952 190 2HD LYS 26 HD1 LYS 26 18.434 -0.187 28.770 191 1HE LYS 26 HE2 LYS 26 17.239 -1.186 30.644 192 2HE LYS 26 HE1 LYS 26 15.697 -0.839 29.860 193 1HZ LYS 26 HZ1 LYS 26 16.169 -3.074 29.380 194 2HZ LYS 26 HZ2 LYS 26 17.790 -2.758 29.009 195 3HZ LYS 26 HZ3 LYS 26 16.566 -2.240 27.954 196 H ILE 27 HN ILE 27 17.306 4.553 28.970 197 HA ILE 27 HA ILE 27 18.951 5.135 31.343 198 HB ILE 27 HB ILE 27 20.932 5.140 29.790 199 1HG1 ILE 27 HG12 ILE 27 18.978 3.740 27.949 200 2HG1 ILE 27 HG11 ILE 27 19.707 5.317 27.670 201 1HG2 ILE 27 HG21 ILE 27 19.454 2.543 30.190 202 2HG2 ILE 27 HG22 ILE 27 20.552 3.318 31.334 203 3HG2 ILE 27 HG23 ILE 27 21.169 2.687 29.807 204 1HD1 ILE 27 HD11 ILE 27 21.164 2.690 27.812 205 2HD1 ILE 27 HD12 ILE 27 21.911 4.267 27.554 206 3HD1 ILE 27 HD13 ILE 27 20.801 3.609 26.352 207 H GLY 28 HN GLY 28 17.165 6.420 28.800 208 1HA GLY 28 HA2 GLY 28 16.742 8.698 28.423 209 2HA GLY 28 HA1 GLY 28 18.200 9.095 29.325 210 H SER 29 HN SER 29 18.197 6.705 26.819 211 HA SER 29 HA SER 29 20.257 8.163 25.403 212 1HB SER 29 HB2 SER 29 20.368 5.697 25.902 213 2HB SER 29 HB1 SER 29 19.040 5.462 24.771 214 HG SER 29 HG SER 29 21.589 6.570 24.165 215 HA PRO 30 HA PRO 30 17.579 9.597 22.110 216 1HB PRO 30 HB2 PRO 30 19.871 9.452 20.302 217 2HB PRO 30 HB1 PRO 30 19.009 10.872 20.898 218 1HG PRO 30 HG2 PRO 30 21.526 10.282 21.672 219 2HG PRO 30 HG1 PRO 30 20.362 11.082 22.745 220 1HD PRO 30 HD2 PRO 30 21.179 8.198 22.650 221 2HD PRO 30 HD1 PRO 30 20.935 9.252 24.061 222 H TRP 31 HN TRP 31 17.535 9.110 19.554 223 HA TRP 31 HA TRP 31 17.997 6.361 18.868 224 1HB TRP 31 HB2 TRP 31 15.602 5.887 18.350 225 2HB TRP 31 HB1 TRP 31 15.921 6.053 20.071 226 HD1 TRP 31 HD1 TRP 31 14.393 8.096 17.151 227 HE1 TRP 31 HE1 TRP 31 12.632 9.695 18.136 228 HE3 TRP 31 HE3 TRP 31 15.110 7.127 22.123 229 HZ2 TRP 31 HZ2 TRP 31 11.676 10.443 20.686 230 HZ3 TRP 31 HZ3 TRP 31 13.730 8.325 23.768 231 HH2 TRP 31 HH2 TRP 31 12.049 9.949 23.064 232 H VAL 32 HN VAL 32 16.794 6.013 16.590 233 HA VAL 32 HA VAL 32 17.338 8.444 15.031 234 HB VAL 32 HB VAL 32 17.230 5.584 14.049 235 1HG1 VAL 32 HG11 VAL 32 18.100 6.442 11.964 236 2HG1 VAL 32 HG12 VAL 32 18.145 8.076 12.623 237 3HG1 VAL 32 HG13 VAL 32 16.596 7.275 12.361 238 1HG2 VAL 32 HG21 VAL 32 19.159 5.936 15.476 239 2HG2 VAL 32 HG22 VAL 32 19.590 7.387 14.572 240 3HG2 VAL 32 HG23 VAL 32 19.668 5.807 13.793 241 H HIS 33 HN HIS 33 15.308 5.570 14.387 242 HA HIS 33 HA HIS 33 12.963 7.318 14.339 243 1HB HIS 33 HB2 HIS 33 13.806 5.524 12.064 244 2HB HIS 33 HB1 HIS 33 12.168 6.146 12.241 245 HD1 HIS 33 HD1 HIS 33 12.342 9.007 12.688 246 HD2 HIS 33 HD2 HIS 33 15.176 7.057 10.330 247 HE1 HIS 33 HE1 HIS 33 13.366 10.787 11.230 248 HE2 HIS 33 HE2 HIS 33 15.005 9.575 9.744 249 H LEU 34 HN LEU 34 11.260 6.487 15.253 250 HA LEU 34 HA LEU 34 11.464 3.891 16.497 251 1HB LEU 34 HB2 LEU 34 9.254 5.931 16.687 252 2HB LEU 34 HB1 LEU 34 9.527 4.575 17.764 253 HG LEU 34 HG LEU 34 11.402 6.915 17.443 254 1HD1 LEU 34 HD11 LEU 34 10.603 7.597 19.644 255 2HD1 LEU 34 HD12 LEU 34 9.437 6.274 19.635 256 3HD1 LEU 34 HD13 LEU 34 9.294 7.584 18.463 257 1HD2 LEU 34 HD21 LEU 34 12.480 6.003 19.437 258 2HD2 LEU 34 HD22 LEU 34 12.524 4.854 18.099 259 3HD2 LEU 34 HD23 LEU 34 11.368 4.634 19.413 260 H ARG 35 HN ARG 35 10.317 2.135 16.065 261 HA ARG 35 HA ARG 35 8.218 2.254 13.996 262 1HB ARG 35 HB2 ARG 35 9.892 -0.109 14.901 263 2HB ARG 35 HB1 ARG 35 8.686 -0.135 13.624 264 1HG ARG 35 HG2 ARG 35 11.139 1.599 13.525 265 2HG ARG 35 HG1 ARG 35 11.084 -0.042 12.877 266 1HD ARG 35 HD2 ARG 35 9.298 0.587 11.366 267 2HD ARG 35 HD1 ARG 35 9.254 2.202 12.063 268 HE ARG 35 HE ARG 35 11.170 2.756 10.889 269 1HH1 ARG 35 HH11 ARG 35 10.464 -0.648 10.505 270 2HH1 ARG 35 HH12 ARG 35 11.582 -0.873 9.196 271 1HH2 ARG 35 HH21 ARG 35 12.627 2.484 9.143 272 2HH2 ARG 35 HH22 ARG 35 12.811 0.911 8.414 273 H ILE 36 HN ILE 36 6.169 1.697 14.631 274 HA ILE 36 HA ILE 36 5.868 0.815 17.421 275 HB ILE 36 HB ILE 36 4.616 2.829 16.833 276 1HG1 ILE 36 HG12 ILE 36 2.738 0.494 17.240 277 2HG1 ILE 36 HG11 ILE 36 3.755 1.171 18.507 278 1HG2 ILE 36 HG21 ILE 36 4.252 2.427 14.467 279 2HG2 ILE 36 HG22 ILE 36 2.720 2.740 15.283 280 3HG2 ILE 36 HG23 ILE 36 3.165 1.090 14.843 281 1HD1 ILE 36 HD11 ILE 36 2.602 3.299 18.306 282 2HD1 ILE 36 HD12 ILE 36 1.472 1.988 18.650 283 3HD1 ILE 36 HD13 ILE 36 1.595 2.640 17.016 284 H CYS 37 HN CYS 37 5.274 -1.100 17.937 285 HA CYS 37 HA CYS 37 4.967 -3.136 15.954 286 1HB CYS 37 HB2 CYS 37 6.145 -3.522 18.048 287 2HB CYS 37 HB1 CYS 37 4.686 -3.159 18.956 288 H ARG 38 HN ARG 38 3.109 -3.528 14.914 289 HA ARG 38 HA ARG 38 0.657 -2.320 15.741 290 1HB ARG 38 HB2 ARG 38 1.253 -4.285 13.529 291 2HB ARG 38 HB1 ARG 38 -0.299 -3.497 13.761 292 1HG ARG 38 HG2 ARG 38 2.306 -2.106 13.183 293 2HG ARG 38 HG1 ARG 38 1.016 -2.417 12.020 294 1HD ARG 38 HD2 ARG 38 0.904 -0.642 14.452 295 2HD ARG 38 HD1 ARG 38 0.829 -0.152 12.759 296 HE ARG 38 HE ARG 38 -1.278 -1.792 14.006 297 1HH1 ARG 38 HH11 ARG 38 -0.252 0.955 12.091 298 2HH1 ARG 38 HH12 ARG 38 -1.874 1.452 11.712 299 1HH2 ARG 38 HH21 ARG 38 -3.401 -1.135 13.535 300 2HH2 ARG 38 HH22 ARG 38 -3.675 0.266 12.540 301 H THR 39 HN THR 39 2.081 -5.017 16.930 302 HA THR 39 HA THR 39 -0.365 -6.602 17.057 303 HB THR 39 HB THR 39 2.237 -7.431 18.295 304 HG1 THR 39 HG1 THR 39 1.745 -8.207 15.657 305 1HG2 THR 39 HG21 THR 39 1.428 -9.666 17.661 306 2HG2 THR 39 HG22 THR 39 -0.014 -8.936 16.954 307 3HG2 THR 39 HG23 THR 39 0.273 -8.821 18.690 308 H CYS 40 HN CYS 40 1.658 -4.610 19.105 309 HA CYS 40 HA CYS 40 -0.178 -5.089 21.321 310 1HB CYS 40 HB2 CYS 40 1.528 -5.695 22.898 311 2HB CYS 40 HB1 CYS 40 1.708 -6.737 21.494 312 H GLY 41 HN GLY 41 1.374 -2.899 19.460 313 1HA GLY 41 HA2 GLY 41 1.475 -0.613 19.622 314 2HA GLY 41 HA1 GLY 41 0.672 -0.747 21.176 315 H HIS 42 HN HIS 42 3.652 -2.477 20.741 316 HA HIS 42 HA HIS 42 4.848 -0.715 22.728 317 1HB HIS 42 HB2 HIS 42 4.907 -3.281 22.863 318 2HB HIS 42 HB1 HIS 42 6.116 -3.205 21.585 319 HD1 HIS 42 HD1 HIS 42 5.647 -2.731 25.224 320 HD2 HIS 42 HD2 HIS 42 8.578 -1.984 22.375 321 HE1 HIS 42 HE1 HIS 42 7.745 -2.268 26.519 322 HE2 HIS 42 HE2 HIS 42 9.367 -1.460 24.774 323 H VAL 43 HN VAL 43 6.658 0.534 22.379 324 HA VAL 43 HA VAL 43 7.109 1.159 19.566 325 HB VAL 43 HB VAL 43 8.076 2.622 22.030 326 1HG1 VAL 43 HG11 VAL 43 8.454 4.493 20.514 327 2HG1 VAL 43 HG12 VAL 43 7.925 3.508 19.150 328 3HG1 VAL 43 HG13 VAL 43 9.399 3.087 20.023 329 1HG2 VAL 43 HG21 VAL 43 5.625 2.549 21.913 330 2HG2 VAL 43 HG22 VAL 43 5.689 3.212 20.280 331 3HG2 VAL 43 HG23 VAL 43 6.244 4.178 21.647 332 H GLY 44 HN GLY 44 8.918 0.660 18.492 333 1HA GLY 44 HA2 GLY 44 11.333 0.040 20.054 334 2HA GLY 44 HA1 GLY 44 10.759 -1.111 18.856 335 H CYS 45 HN CYS 45 13.022 1.153 19.308 336 HA CYS 45 HA CYS 45 12.868 2.570 16.837 337 1HB CYS 45 HB2 CYS 45 14.203 3.193 18.972 338 2HB CYS 45 HB1 CYS 45 15.426 2.088 18.353 339 HG CYS 45 HG CYS 45 16.308 3.577 16.365 340 H CYS 46 HN CYS 46 14.001 2.174 14.926 341 HA CYS 46 HA CYS 46 13.892 -0.518 14.151 342 1HB CYS 46 HB2 CYS 46 13.634 1.612 12.727 343 2HB CYS 46 HB1 CYS 46 15.389 1.591 12.610 344 HG CYS 46 HG CYS 46 15.482 -0.936 11.340 345 H ASP 47 HN ASP 47 15.630 -1.700 13.035 346 HA ASP 47 HA ASP 47 17.787 -2.259 14.752 347 1HB ASP 47 HB2 ASP 47 18.522 -3.797 13.006 348 2HB ASP 47 HB1 ASP 47 16.777 -3.906 13.214 349 H ASP 48 HN ASP 48 17.394 0.113 12.377 350 HA ASP 48 HA ASP 48 20.044 0.519 11.529 351 1HB ASP 48 HB2 ASP 48 18.282 1.580 10.326 352 2HB ASP 48 HB1 ASP 48 17.662 2.355 11.779 353 H SER 49 HN SER 49 18.289 1.463 14.394 354 HA SER 49 HA SER 49 20.466 3.093 15.413 355 1HB SER 49 HB2 SER 49 18.009 2.130 16.891 356 2HB SER 49 HB1 SER 49 19.028 3.514 17.284 357 HG SER 49 HG SER 49 18.022 3.641 14.750 358 HA PRO 50 HA PRO 50 22.848 -0.145 17.207 359 1HB PRO 50 HB2 PRO 50 23.400 1.038 19.677 360 2HB PRO 50 HB1 PRO 50 24.337 1.242 18.195 361 1HG PRO 50 HG2 PRO 50 22.245 3.010 19.377 362 2HG PRO 50 HG1 PRO 50 23.739 3.447 18.526 363 1HD PRO 50 HD2 PRO 50 21.364 3.621 17.318 364 2HD PRO 50 HD1 PRO 50 22.801 3.066 16.432 365 H HIS 51 HN HIS 51 20.291 1.253 19.196 366 HA HIS 51 HA HIS 51 20.210 -0.783 21.148 367 1HB HIS 51 HB2 HIS 51 18.142 1.215 20.242 368 2HB HIS 51 HB1 HIS 51 17.832 0.060 21.531 369 HD1 HIS 51 HD1 HIS 51 18.787 0.580 23.832 370 HD2 HIS 51 HD2 HIS 51 20.106 3.204 20.881 371 HE1 HIS 51 HE1 HIS 51 19.813 2.513 25.052 372 HE2 HIS 51 HE2 HIS 51 20.844 3.948 23.248 373 H LYS 52 HN LYS 52 18.686 -0.453 17.999 374 HA LYS 52 HA LYS 52 17.326 -1.804 16.761 375 1HB LYS 52 HB2 LYS 52 19.054 -3.898 18.091 376 2HB LYS 52 HB1 LYS 52 18.085 -4.152 16.647 377 1HG LYS 52 HG2 LYS 52 19.410 -2.565 15.419 378 2HG LYS 52 HG1 LYS 52 20.320 -2.151 16.872 379 1HD LYS 52 HD2 LYS 52 20.258 -4.889 15.610 380 2HD LYS 52 HD1 LYS 52 21.524 -3.689 15.342 381 1HE LYS 52 HE2 LYS 52 21.896 -3.672 17.822 382 2HE LYS 52 HE1 LYS 52 20.792 -5.043 17.930 383 1HZ LYS 52 HZ1 LYS 52 23.349 -4.951 16.423 384 2HZ LYS 52 HZ2 LYS 52 22.274 -6.261 16.419 385 3HZ LYS 52 HZ3 LYS 52 23.054 -5.813 17.856 386 H HIS 53 HN HIS 53 15.734 -1.057 18.692 387 HA HIS 53 HA HIS 53 14.977 -3.229 20.424 388 1HB HIS 53 HB2 HIS 53 14.880 -0.750 21.042 389 2HB HIS 53 HB1 HIS 53 13.412 -0.679 20.068 390 HD1 HIS 53 HD1 HIS 53 11.708 -0.366 21.945 391 HD2 HIS 53 HD2 HIS 53 14.240 -3.610 22.548 392 HE1 HIS 53 HE1 HIS 53 10.792 -1.583 23.939 393 HE2 HIS 53 HE2 HIS 53 12.455 -3.424 24.401 394 H ALA 54 HN ALA 54 13.939 -1.977 17.358 395 HA ALA 54 HA ALA 54 11.341 -3.119 17.350 396 1HB ALA 54 HB1 ALA 54 11.999 -1.362 15.772 397 2HB ALA 54 HB2 ALA 54 11.396 -2.789 14.930 398 3HB ALA 54 HB3 ALA 54 13.129 -2.476 15.003 399 H THR 55 HN THR 55 14.488 -4.282 16.212 400 HA THR 55 HA THR 55 13.513 -6.756 15.205 401 HB THR 55 HB THR 55 16.012 -7.369 15.330 402 HG1 THR 55 HG1 THR 55 17.220 -5.983 16.373 403 1HG2 THR 55 HG21 THR 55 14.908 -6.627 13.275 404 2HG2 THR 55 HG22 THR 55 16.541 -5.968 13.391 405 3HG2 THR 55 HG23 THR 55 15.149 -4.946 13.748 406 H ARG 56 HN ARG 56 15.268 -5.857 18.174 407 HA ARG 56 HA ARG 56 15.420 -8.429 19.271 408 1HB ARG 56 HB2 ARG 56 15.348 -5.735 20.630 409 2HB ARG 56 HB1 ARG 56 15.702 -7.243 21.462 410 1HG ARG 56 HG2 ARG 56 17.649 -7.580 20.022 411 2HG ARG 56 HG1 ARG 56 17.298 -6.058 19.202 412 1HD ARG 56 HD2 ARG 56 19.037 -5.760 20.878 413 2HD ARG 56 HD1 ARG 56 17.587 -4.853 21.307 414 HE ARG 56 HE ARG 56 17.456 -7.367 22.545 415 1HH1 ARG 56 HH11 ARG 56 19.366 -4.435 22.695 416 2HH1 ARG 56 HH12 ARG 56 19.747 -4.612 24.377 417 1HH2 ARG 56 HH21 ARG 56 17.941 -7.592 24.774 418 2HH2 ARG 56 HH22 ARG 56 18.942 -6.404 25.562 419 H HIS 57 HN HIS 57 12.884 -5.988 19.464 420 HA HIS 57 HA HIS 57 11.309 -7.318 21.401 421 1HB HIS 57 HB2 HIS 57 10.918 -4.970 20.899 422 2HB HIS 57 HB1 HIS 57 10.499 -5.364 19.235 423 HD1 HIS 57 HD1 HIS 57 9.155 -5.721 22.764 424 HD2 HIS 57 HD2 HIS 57 7.918 -6.132 18.808 425 HE1 HIS 57 HE1 HIS 57 6.646 -6.074 22.824 426 H PHE 58 HN PHE 58 11.372 -7.410 17.869 427 HA PHE 58 HA PHE 58 9.169 -9.086 17.466 428 1HB PHE 58 HB2 PHE 58 10.044 -8.041 15.546 429 2HB PHE 58 HB1 PHE 58 11.681 -8.592 15.884 430 HD1 PHE 58 HD1 PHE 58 8.344 -10.227 15.441 431 HD2 PHE 58 HD2 PHE 58 12.455 -10.113 14.392 432 HE1 PHE 58 HE1 PHE 58 8.015 -12.165 13.965 433 HE2 PHE 58 HE2 PHE 58 12.133 -12.043 12.908 434 HZ PHE 58 HZ PHE 58 9.915 -13.076 12.697 435 H HIS 59 HN HIS 59 12.580 -9.856 18.041 436 HA HIS 59 HA HIS 59 12.258 -12.657 17.731 437 1HB HIS 59 HB2 HIS 59 14.434 -11.342 17.603 438 2HB HIS 59 HB1 HIS 59 14.409 -11.301 19.362 439 HD1 HIS 59 HD1 HIS 59 15.432 -13.363 16.531 440 HD2 HIS 59 HD2 HIS 59 14.569 -13.966 20.555 441 HE1 HIS 59 HE1 HIS 59 16.391 -15.618 17.102 442 HE2 HIS 59 HE2 HIS 59 15.967 -15.908 19.570 443 H ALA 60 HN ALA 60 11.886 -10.474 20.434 444 HA ALA 60 HA ALA 60 11.869 -12.543 22.422 445 1HB ALA 60 HB1 ALA 60 10.968 -9.676 22.650 446 2HB ALA 60 HB2 ALA 60 12.611 -10.256 22.922 447 3HB ALA 60 HB3 ALA 60 11.303 -10.780 23.984 448 H THR 61 HN THR 61 9.314 -10.356 21.192 449 HA THR 61 HA THR 61 7.310 -11.890 22.613 450 HB THR 61 HB THR 61 5.705 -10.241 21.535 451 HG1 THR 61 HG1 THR 61 8.186 -9.225 20.605 452 1HG2 THR 61 HG21 THR 61 7.921 -9.088 23.231 453 2HG2 THR 61 HG22 THR 61 6.526 -9.982 23.834 454 3HG2 THR 61 HG23 THR 61 6.296 -8.422 23.041 455 H GLY 62 HN GLY 62 8.608 -11.812 19.428 456 1HA GLY 62 HA2 GLY 62 8.088 -13.106 17.583 457 2HA GLY 62 HA1 GLY 62 6.809 -13.865 18.525 458 H HIS 63 HN HIS 63 7.374 -10.472 17.691 459 HA HIS 63 HA HIS 63 4.689 -10.420 16.475 460 1HB HIS 63 HB2 HIS 63 6.121 -8.294 18.082 461 2HB HIS 63 HB1 HIS 63 4.671 -7.976 17.138 462 HD2 HIS 63 HD2 HIS 63 3.604 -11.136 18.397 463 HE1 HIS 63 HE1 HIS 63 3.009 -8.531 21.683 464 HE2 HIS 63 HE2 HIS 63 2.221 -10.667 20.548 465 HA PRO 64 HA PRO 64 7.604 -9.733 13.170 466 1HB PRO 64 HB2 PRO 64 6.039 -10.508 11.139 467 2HB PRO 64 HB1 PRO 64 6.695 -11.659 12.309 468 1HG PRO 64 HG2 PRO 64 3.957 -10.460 12.162 469 2HG PRO 64 HG1 PRO 64 4.428 -12.134 12.504 470 1HD PRO 64 HD2 PRO 64 3.758 -10.303 14.435 471 2HD PRO 64 HD1 PRO 64 4.820 -11.697 14.715 472 H ILE 65 HN ILE 65 4.586 -8.000 13.490 473 HA ILE 65 HA ILE 65 5.267 -6.423 11.106 474 HB ILE 65 HB ILE 65 2.591 -6.741 12.461 475 1HG1 ILE 65 HG12 ILE 65 3.666 -7.596 9.764 476 2HG1 ILE 65 HG11 ILE 65 3.233 -8.654 11.101 477 1HG2 ILE 65 HG21 ILE 65 1.704 -5.338 10.644 478 2HG2 ILE 65 HG22 ILE 65 3.348 -5.040 10.083 479 3HG2 ILE 65 HG23 ILE 65 2.837 -4.454 11.666 480 1HD1 ILE 65 HD11 ILE 65 1.550 -8.647 9.326 481 2HD1 ILE 65 HD12 ILE 65 1.314 -6.916 9.566 482 3HD1 ILE 65 HD13 ILE 65 0.902 -8.049 10.853 483 H ILE 66 HN ILE 66 5.996 -4.487 11.293 484 HA ILE 66 HA ILE 66 5.302 -2.875 13.661 485 HB ILE 66 HB ILE 66 7.471 -1.695 13.372 486 1HG1 ILE 66 HG12 ILE 66 8.132 -3.969 11.485 487 2HG1 ILE 66 HG11 ILE 66 7.801 -2.313 10.985 488 1HG2 ILE 66 HG21 ILE 66 7.226 -3.449 15.050 489 2HG2 ILE 66 HG22 ILE 66 8.860 -3.429 14.386 490 3HG2 ILE 66 HG23 ILE 66 7.712 -4.661 13.864 491 1HD1 ILE 66 HD11 ILE 66 9.749 -1.543 12.217 492 2HD1 ILE 66 HD12 ILE 66 10.186 -2.780 11.036 493 3HD1 ILE 66 HD13 ILE 66 10.073 -3.193 12.747 494 H GLU 67 HN GLU 67 5.309 -0.536 13.232 495 HA GLU 67 HA GLU 67 4.672 0.124 10.437 496 1HB GLU 67 HB2 GLU 67 2.747 -0.298 12.281 497 2HB GLU 67 HB1 GLU 67 3.073 1.400 12.588 498 1HG GLU 67 HG2 GLU 67 2.699 0.664 9.766 499 2HG GLU 67 HG1 GLU 67 1.282 0.497 10.800 500 H GLY 68 HN GLY 68 4.507 2.614 10.213 501 1HA GLY 68 HA2 GLY 68 6.995 3.666 11.275 502 2HA GLY 68 HA1 GLY 68 5.967 4.424 10.068 503 H TYR 69 HN TYR 69 6.880 4.337 13.333 504 HA TYR 69 HA TYR 69 4.463 5.656 14.274 505 1HB TYR 69 HB2 TYR 69 5.505 3.815 15.586 506 2HB TYR 69 HB1 TYR 69 6.921 4.835 15.830 507 HD1 TYR 69 HD1 TYR 69 7.014 5.579 18.013 508 HD2 TYR 69 HD2 TYR 69 3.245 5.440 16.045 509 HE1 TYR 69 HE1 TYR 69 5.948 6.584 19.989 510 HE2 TYR 69 HE2 TYR 69 2.173 6.441 18.012 511 HH TYR 69 HH TYR 69 4.042 7.661 20.702 512 H ASP 70 HN ASP 70 7.963 6.259 14.623 513 HA ASP 70 HA ASP 70 7.622 8.936 15.453 514 1HB ASP 70 HB2 ASP 70 9.633 7.975 16.132 515 2HB ASP 70 HB1 ASP 70 9.980 7.336 14.535 516 HA PRO 71 HA PRO 71 8.170 10.281 10.970 517 1HB PRO 71 HB2 PRO 71 8.708 8.215 9.114 518 2HB PRO 71 HB1 PRO 71 9.855 9.408 9.725 519 1HG PRO 71 HG2 PRO 71 9.943 6.657 10.204 520 2HG PRO 71 HG1 PRO 71 10.831 7.898 11.103 521 1HD PRO 71 HD2 PRO 71 8.281 6.506 11.800 522 2HD PRO 71 HD1 PRO 71 9.606 7.036 12.854 523 HA PRO 72 HA PRO 72 3.945 8.707 10.524 524 1HB PRO 72 HB2 PRO 72 2.873 11.060 9.678 525 2HB PRO 72 HB1 PRO 72 3.175 10.688 11.379 526 1HG PRO 72 HG2 PRO 72 4.786 12.341 9.484 527 2HG PRO 72 HG1 PRO 72 4.424 12.626 11.196 528 1HD PRO 72 HD2 PRO 72 6.799 11.627 10.318 529 2HD PRO 72 HD1 PRO 72 6.114 11.248 11.910 530 H GLU 73 HN GLU 73 4.705 7.394 8.753 531 HA GLU 73 HA GLU 73 4.229 8.607 6.113 532 1HB GLU 73 HB2 GLU 73 5.873 6.152 6.748 533 2HB GLU 73 HB1 GLU 73 5.712 6.931 5.179 534 1HG GLU 73 HG2 GLU 73 6.836 8.914 6.035 535 2HG GLU 73 HG1 GLU 73 6.975 8.158 7.622 536 H GLY 74 HN GLY 74 3.667 5.783 8.161 537 1HA GLY 74 HA2 GLY 74 1.722 4.527 8.279 538 2HA GLY 74 HA1 GLY 74 1.109 5.394 6.879 539 H TRP 75 HN TRP 75 3.425 2.900 7.855 540 HA TRP 75 HA TRP 75 2.568 1.230 5.688 541 1HB TRP 75 HB2 TRP 75 4.820 0.901 4.700 542 2HB TRP 75 HB1 TRP 75 4.189 2.520 4.437 543 HD1 TRP 75 HD1 TRP 75 5.388 4.532 5.782 544 HE1 TRP 75 HE1 TRP 75 7.766 4.736 6.750 545 HE3 TRP 75 HE3 TRP 75 6.670 -0.419 5.821 546 HZ2 TRP 75 HZ2 TRP 75 9.896 3.020 7.437 547 HZ3 TRP 75 HZ3 TRP 75 8.900 -1.048 6.648 548 HH2 TRP 75 HH2 TRP 75 10.475 0.635 7.438 549 H GLY 76 HN GLY 76 3.164 -0.928 5.952 550 1HA GLY 76 HA2 GLY 76 4.185 -1.480 8.664 551 2HA GLY 76 HA1 GLY 76 2.926 -2.419 7.881 552 H TRP 77 HN TRP 77 5.796 -2.813 8.935 553 HA TRP 77 HA TRP 77 6.786 -4.325 6.609 554 1HB TRP 77 HB2 TRP 77 8.354 -2.605 7.311 555 2HB TRP 77 HB1 TRP 77 8.275 -3.161 8.975 556 HD1 TRP 77 HD1 TRP 77 9.912 -5.075 9.677 557 HE1 TRP 77 HE1 TRP 77 11.775 -6.368 8.457 558 HE3 TRP 77 HE3 TRP 77 8.934 -3.582 4.887 559 HZ2 TRP 77 HZ2 TRP 77 12.701 -6.711 5.818 560 HZ3 TRP 77 HZ3 TRP 77 10.357 -4.438 3.073 561 HH2 TRP 77 HH2 TRP 77 12.201 -5.970 3.530 562 H CYS 78 HN CYS 78 6.828 -6.491 6.788 563 HA CYS 78 HA CYS 78 6.323 -7.636 9.462 564 1HB CYS 78 HB2 CYS 78 4.619 -7.973 7.542 565 2HB CYS 78 HB1 CYS 78 5.809 -9.073 6.865 566 H TYR 79 HN TYR 79 8.172 -8.353 10.307 567 HA TYR 79 HA TYR 79 10.568 -8.592 8.967 568 1HB TYR 79 HB2 TYR 79 9.613 -9.623 11.601 569 2HB TYR 79 HB1 TYR 79 11.216 -10.063 11.019 570 HD1 TYR 79 HD1 TYR 79 12.793 -8.167 10.366 571 HD2 TYR 79 HD2 TYR 79 9.273 -7.557 12.677 572 HE1 TYR 79 HE1 TYR 79 13.701 -6.033 11.168 573 HE2 TYR 79 HE2 TYR 79 10.175 -5.414 13.485 574 HH TYR 79 HH TYR 79 12.945 -3.949 12.081 575 H VAL 80 HN VAL 80 8.524 -11.367 9.981 576 HA VAL 80 HA VAL 80 10.264 -13.308 8.927 577 HB VAL 80 HB VAL 80 8.259 -14.844 8.968 578 1HG1 VAL 80 HG11 VAL 80 8.104 -14.830 11.434 579 2HG1 VAL 80 HG12 VAL 80 8.938 -13.277 11.451 580 3HG1 VAL 80 HG13 VAL 80 9.762 -14.714 10.848 581 1HG2 VAL 80 HG21 VAL 80 6.912 -12.396 10.104 582 2HG2 VAL 80 HG22 VAL 80 6.245 -14.029 10.099 583 3HG2 VAL 80 HG23 VAL 80 6.520 -13.184 8.575 584 H ASP 81 HN ASP 81 7.916 -11.323 7.367 585 HA ASP 81 HA ASP 81 7.818 -13.029 5.002 586 1HB ASP 81 HB2 ASP 81 6.384 -10.460 5.695 587 2HB ASP 81 HB1 ASP 81 6.209 -11.295 4.156 588 H GLU 82 HN GLU 82 9.049 -9.952 6.094 589 HA GLU 82 HA GLU 82 10.508 -8.460 5.248 590 1HB GLU 82 HB2 GLU 82 11.161 -10.751 3.400 591 2HB GLU 82 HB1 GLU 82 12.019 -9.215 3.363 592 1HG GLU 82 HG2 GLU 82 12.757 -9.511 5.628 593 2HG GLU 82 HG1 GLU 82 11.786 -10.972 5.792 594 H VAL 83 HN VAL 83 7.749 -8.784 4.299 595 HA VAL 83 HA VAL 83 7.932 -7.385 1.729 596 HB VAL 83 HB VAL 83 5.514 -7.734 1.519 597 1HG1 VAL 83 HG11 VAL 83 5.528 -10.158 1.206 598 2HG1 VAL 83 HG12 VAL 83 7.008 -10.270 2.158 599 3HG1 VAL 83 HG13 VAL 83 7.015 -9.418 0.614 600 1HG2 VAL 83 HG21 VAL 83 4.885 -7.693 3.865 601 2HG2 VAL 83 HG22 VAL 83 5.739 -9.211 4.140 602 3HG2 VAL 83 HG23 VAL 83 4.312 -9.178 3.104 603 H MET 84 HN MET 84 6.855 -5.403 1.446 604 HA MET 84 HA MET 84 6.228 -3.987 3.960 605 1HB MET 84 HB2 MET 84 8.375 -3.242 2.960 606 2HB MET 84 HB1 MET 84 7.522 -2.828 1.481 607 1HG MET 84 HG2 MET 84 6.186 -1.188 2.738 608 2HG MET 84 HG1 MET 84 7.113 -1.576 4.187 609 1HE MET 84 HE1 MET 84 9.728 -1.102 4.436 610 2HE MET 84 HE2 MET 84 10.715 -0.403 3.152 611 3HE MET 84 HE3 MET 84 10.024 -2.013 2.956 612 H PHE 85 HN PHE 85 4.229 -3.204 4.049 613 HA PHE 85 HA PHE 85 2.822 -2.698 1.517 614 1HB PHE 85 HB2 PHE 85 0.734 -3.562 2.643 615 2HB PHE 85 HB1 PHE 85 1.940 -4.785 2.267 616 HD1 PHE 85 HD1 PHE 85 0.131 -3.054 4.895 617 HD2 PHE 85 HD2 PHE 85 3.256 -5.821 4.063 618 HE1 PHE 85 HE1 PHE 85 0.083 -3.811 7.235 619 HE2 PHE 85 HE2 PHE 85 3.212 -6.576 6.402 620 HZ PHE 85 HZ PHE 85 1.631 -5.568 7.994 621 H ASP 86 HN ASP 86 1.238 -1.078 1.569 622 HA ASP 86 HA ASP 86 1.959 1.081 3.306 623 1HB ASP 86 HB2 ASP 86 -0.208 0.867 1.209 624 2HB ASP 86 HB1 ASP 86 0.221 2.350 2.057 625 H LEU 87 HN LEU 87 0.991 1.799 5.064 626 HA LEU 87 HA LEU 87 -1.625 0.669 5.793 627 1HB LEU 87 HB2 LEU 87 0.868 0.926 7.434 628 2HB LEU 87 HB1 LEU 87 -0.702 0.981 8.212 629 HG LEU 87 HG LEU 87 0.332 -1.318 6.547 630 1HD1 LEU 87 HD11 LEU 87 1.523 -1.098 8.668 631 2HD1 LEU 87 HD12 LEU 87 0.461 -2.506 8.681 632 3HD1 LEU 87 HD13 LEU 87 -0.014 -1.036 9.531 633 1HD2 LEU 87 HD21 LEU 87 -2.152 -1.077 8.238 634 2HD2 LEU 87 HD22 LEU 87 -1.632 -2.500 7.333 635 3HD2 LEU 87 HD23 LEU 87 -2.114 -1.036 6.475 636 H SER 88 HN SER 88 -0.772 3.251 4.545 637 HA SER 88 HA SER 88 -0.791 5.338 6.419 638 1HB SER 88 HB2 SER 88 -1.791 5.404 3.563 639 2HB SER 88 HB1 SER 88 -1.279 6.791 4.525 640 HG SER 88 HG SER 88 0.721 5.108 4.620 641 H ASP 89 HN ASP 89 -3.322 3.410 5.104 642 HA ASP 89 HA ASP 89 -5.480 5.184 5.805 643 1HB ASP 89 HB2 ASP 89 -6.894 3.241 5.135 644 2HB ASP 89 HB1 ASP 89 -5.751 3.743 3.896 645 H ARG 90 HN ARG 90 -3.652 2.760 7.385 646 HA ARG 90 HA ARG 90 -5.599 2.703 9.606 647 1HB ARG 90 HB2 ARG 90 -3.745 0.455 8.791 648 2HB ARG 90 HB1 ARG 90 -4.924 0.414 10.092 649 1HG ARG 90 HG2 ARG 90 -6.732 0.606 8.472 650 2HG ARG 90 HG1 ARG 90 -5.552 0.672 7.161 651 1HD ARG 90 HD2 ARG 90 -4.713 -1.564 7.944 652 2HD ARG 90 HD1 ARG 90 -6.101 -1.625 9.029 653 HE ARG 90 HE ARG 90 -6.759 -1.145 6.260 654 1HH1 ARG 90 HH11 ARG 90 -6.276 -3.558 8.749 655 2HH1 ARG 90 HH12 ARG 90 -7.171 -4.791 7.920 656 1HH2 ARG 90 HH21 ARG 90 -7.918 -2.755 5.147 657 2HH2 ARG 90 HH22 ARG 90 -8.101 -4.335 5.853 658 H MET 91 HN MET 91 -3.082 4.310 8.969 659 HA MET 91 HA MET 91 -0.960 3.268 10.523 660 1HB MET 91 HB2 MET 91 0.174 5.368 10.137 661 2HB MET 91 HB1 MET 91 -0.596 4.827 8.654 662 1HG MET 91 HG2 MET 91 -2.395 6.416 8.978 663 2HG MET 91 HG1 MET 91 -1.690 6.924 10.514 664 1HE MET 91 HE1 MET 91 1.718 8.476 9.306 665 2HE MET 91 HE2 MET 91 1.393 6.819 9.816 666 3HE MET 91 HE3 MET 91 0.689 8.172 10.704 667 H THR 92 HN THR 92 -0.019 4.081 12.425 668 HA THR 92 HA THR 92 -2.009 5.223 14.278 669 HB THR 92 HB THR 92 0.468 3.640 14.991 670 HG1 THR 92 HG1 THR 92 -1.592 2.684 13.825 671 1HG2 THR 92 HG21 THR 92 -0.337 5.098 16.780 672 2HG2 THR 92 HG22 THR 92 -0.637 3.405 17.175 673 3HG2 THR 92 HG23 THR 92 -1.960 4.427 16.612 674 HA PRO 93 HA PRO 93 0.782 8.794 13.996 675 1HB PRO 93 HB2 PRO 93 -1.345 10.038 15.609 676 2HB PRO 93 HB1 PRO 93 -0.696 10.527 14.042 677 1HG PRO 93 HG2 PRO 93 -3.153 9.470 14.286 678 2HG PRO 93 HG1 PRO 93 -2.134 9.160 12.867 679 1HD PRO 93 HD2 PRO 93 -2.670 7.410 15.237 680 2HD PRO 93 HD1 PRO 93 -2.558 6.977 13.518 681 H HIS 94 HN HIS 94 2.120 9.788 15.489 682 HA HIS 94 HA HIS 94 2.643 8.416 17.876 683 1HB HIS 94 HB2 HIS 94 4.207 10.267 18.403 684 2HB HIS 94 HB1 HIS 94 4.418 9.620 16.783 685 HD1 HIS 94 HD1 HIS 94 3.694 11.167 14.788 686 HD2 HIS 94 HD2 HIS 94 3.534 12.944 18.548 687 HE1 HIS 94 HE1 HIS 94 3.576 13.647 14.368 688 HE2 HIS 94 HE2 HIS 94 3.628 14.704 16.658 689 H ASN 95 HN ASN 95 2.087 8.693 19.944 690 HA ASN 95 HA ASN 95 -0.412 9.974 20.388 691 1HB ASN 95 HB2 ASN 95 -0.293 9.043 22.628 692 2HB ASN 95 HB1 ASN 95 0.198 7.835 21.450 693 1HD2 ASN 95 HD21 ASN 95 0.753 7.857 24.242 694 2HD2 ASN 95 HD22 ASN 95 2.477 7.896 24.422 695 H GLY 96 HN GLY 96 2.905 10.773 21.258 696 1HA GLY 96 HA2 GLY 96 1.949 13.403 22.117 697 2HA GLY 96 HA1 GLY 96 2.886 12.458 23.262 698 HA PRO 97 HA PRO 97 5.768 15.201 20.913 699 1HB PRO 97 HB2 PRO 97 7.136 15.351 23.503 700 2HB PRO 97 HB1 PRO 97 6.521 16.655 22.485 701 1HG PRO 97 HG2 PRO 97 5.358 16.001 24.821 702 2HG PRO 97 HG1 PRO 97 4.423 16.585 23.431 703 1HD PRO 97 HD2 PRO 97 4.789 13.783 24.426 704 2HD PRO 97 HD1 PRO 97 3.320 14.582 23.825 705 H ILE 98 HN ILE 98 6.971 13.859 19.692 706 HA ILE 98 HA ILE 98 8.962 12.185 21.063 707 HB ILE 98 HB ILE 98 8.067 12.035 18.176 708 1HG1 ILE 98 HG12 ILE 98 7.457 10.257 20.548 709 2HG1 ILE 98 HG11 ILE 98 6.308 11.258 19.667 710 1HG2 ILE 98 HG21 ILE 98 9.387 9.973 18.103 711 2HG2 ILE 98 HG22 ILE 98 9.913 10.251 19.763 712 3HG2 ILE 98 HG23 ILE 98 10.394 11.370 18.486 713 1HD1 ILE 98 HD11 ILE 98 7.789 8.884 18.561 714 2HD1 ILE 98 HD12 ILE 98 6.627 9.879 17.682 715 3HD1 ILE 98 HD13 ILE 98 6.099 8.917 19.063 716 HA PRO 99 HA PRO 99 11.701 15.531 19.838 717 1HB PRO 99 HB2 PRO 99 13.715 13.808 21.129 718 2HB PRO 99 HB1 PRO 99 13.261 15.474 21.499 719 1HG PRO 99 HG2 PRO 99 12.599 13.442 23.121 720 2HG PRO 99 HG1 PRO 99 11.525 14.834 22.881 721 1HD PRO 99 HD2 PRO 99 11.370 12.091 21.685 722 2HD PRO 99 HD1 PRO 99 10.066 13.125 22.306 723 H ARG 100 HN ARG 100 12.070 15.423 17.697 724 HA ARG 100 HA ARG 100 13.148 13.096 16.418 725 1HB ARG 100 HB2 ARG 100 11.623 14.729 15.278 726 2HB ARG 100 HB1 ARG 100 12.932 15.904 15.307 727 1HG ARG 100 HG2 ARG 100 13.201 15.063 13.209 728 2HG ARG 100 HG1 ARG 100 14.251 13.969 14.109 729 1HD ARG 100 HD2 ARG 100 13.062 12.407 12.972 730 2HD ARG 100 HD1 ARG 100 11.953 12.621 14.327 731 HE ARG 100 HE ARG 100 11.589 14.236 11.901 732 1HH1 ARG 100 HH11 ARG 100 10.416 11.739 14.076 733 2HH1 ARG 100 HH12 ARG 100 8.852 11.659 13.327 734 1HH2 ARG 100 HH21 ARG 100 9.543 14.116 10.911 735 2HH2 ARG 100 HH22 ARG 100 8.355 13.019 11.535 736 H TYR 101 HN TYR 101 15.200 12.532 16.791 737 HA TYR 101 HA TYR 101 17.187 14.507 17.459 738 1HB TYR 101 HB2 TYR 101 17.372 11.513 17.094 739 2HB TYR 101 HB1 TYR 101 18.726 12.531 17.578 740 HD1 TYR 101 HD1 TYR 101 18.640 13.730 19.761 741 HD2 TYR 101 HD2 TYR 101 15.707 10.852 18.662 742 HE1 TYR 101 HE1 TYR 101 17.951 13.543 22.112 743 HE2 TYR 101 HE2 TYR 101 15.010 10.656 21.012 744 HH TYR 101 HH TYR 101 15.878 11.059 23.233 745 H VAL 102 HN VAL 102 16.314 12.561 14.689 746 HA VAL 102 HA VAL 102 18.351 13.999 13.144 747 HB VAL 102 HB VAL 102 18.217 11.997 11.536 748 1HG1 VAL 102 HG11 VAL 102 19.950 10.802 12.751 749 2HG1 VAL 102 HG12 VAL 102 19.471 11.595 14.251 750 3HG1 VAL 102 HG13 VAL 102 20.166 12.543 12.936 751 1HG2 VAL 102 HG21 VAL 102 16.256 10.923 12.532 752 2HG2 VAL 102 HG22 VAL 102 17.146 10.683 14.035 753 3HG2 VAL 102 HG23 VAL 102 17.655 9.852 12.566 Start of MODEL 11 1 1H MET 1 HT1 MET 1 5.280 1.094 -0.787 2 2H MET 1 HT2 MET 1 4.342 0.835 -2.180 3 3H MET 1 HT3 MET 1 5.588 -0.241 -1.784 4 HA MET 1 HA MET 1 4.471 -0.997 0.135 5 1HB MET 1 HB2 MET 1 2.281 -0.187 0.785 6 2HB MET 1 HB1 MET 1 3.420 1.148 0.747 7 1HG MET 1 HG2 MET 1 1.452 0.524 -1.442 8 2HG MET 1 HG1 MET 1 1.182 1.694 -0.153 9 1HE MET 1 HE1 MET 1 1.727 4.086 -3.153 10 2HE MET 1 HE2 MET 1 0.719 3.688 -1.762 11 3HE MET 1 HE3 MET 1 0.829 2.568 -3.119 12 H THR 2 HN THR 2 2.994 -2.694 0.071 13 HA THR 2 HA THR 2 1.747 -3.223 -2.545 14 HB THR 2 HB THR 2 3.790 -4.602 -2.248 15 HG1 THR 2 HG1 THR 2 2.517 -5.816 -3.445 16 1HG2 THR 2 HG21 THR 2 2.342 -5.757 0.137 17 2HG2 THR 2 HG22 THR 2 3.794 -4.757 0.191 18 3HG2 THR 2 HG23 THR 2 3.853 -6.360 -0.544 19 H MET 3 HN MET 3 0.366 -5.537 -1.868 20 HA MET 3 HA MET 3 -1.828 -4.520 -0.382 21 1HB MET 3 HB2 MET 3 -2.111 -6.224 -2.130 22 2HB MET 3 HB1 MET 3 -1.200 -7.375 -1.161 23 1HG MET 3 HG2 MET 3 -2.947 -7.155 0.606 24 2HG MET 3 HG1 MET 3 -3.885 -6.180 -0.524 25 1HE MET 3 HE1 MET 3 -5.064 -8.764 0.866 26 2HE MET 3 HE2 MET 3 -5.866 -9.544 -0.498 27 3HE MET 3 HE3 MET 3 -5.959 -7.794 -0.304 28 H GLY 4 HN GLY 4 0.677 -6.922 0.358 29 1HA GLY 4 HA2 GLY 4 1.633 -6.580 2.660 30 2HA GLY 4 HA1 GLY 4 -0.037 -6.626 3.211 31 H CYS 5 HN CYS 5 -0.693 -8.493 3.990 32 HA CYS 5 HA CYS 5 -0.285 -10.991 2.775 33 1HB CYS 5 HB2 CYS 5 1.217 -12.031 4.446 34 2HB CYS 5 HB1 CYS 5 2.025 -10.760 3.536 35 H ARG 6 HN ARG 6 -0.806 -12.806 4.599 36 HA ARG 6 HA ARG 6 -3.416 -12.144 5.451 37 1HB ARG 6 HB2 ARG 6 -3.553 -14.353 6.355 38 2HB ARG 6 HB1 ARG 6 -2.646 -14.443 4.854 39 1HG ARG 6 HG2 ARG 6 -0.562 -14.571 6.101 40 2HG ARG 6 HG1 ARG 6 -1.452 -14.434 7.619 41 1HD ARG 6 HD2 ARG 6 -2.671 -16.506 7.037 42 2HD ARG 6 HD1 ARG 6 -1.667 -16.657 5.597 43 HE ARG 6 HE ARG 6 0.148 -16.510 7.596 44 1HH1 ARG 6 HH11 ARG 6 -2.691 -18.490 7.074 45 2HH1 ARG 6 HH12 ARG 6 -2.056 -19.859 7.947 46 1HH2 ARG 6 HH21 ARG 6 0.988 -18.295 8.761 47 2HH2 ARG 6 HH22 ARG 6 0.039 -19.750 8.890 48 H HIS 7 HN HIS 7 -0.358 -11.839 7.000 49 HA HIS 7 HA HIS 7 -1.120 -11.902 9.692 50 1HB HIS 7 HB2 HIS 7 1.107 -10.420 8.297 51 2HB HIS 7 HB1 HIS 7 0.905 -10.411 10.046 52 HD2 HIS 7 HD2 HIS 7 0.621 -13.357 10.898 53 HE1 HIS 7 HE1 HIS 7 3.811 -14.237 8.265 54 HE2 HIS 7 HE2 HIS 7 2.571 -14.977 10.352 55 H VAL 8 HN VAL 8 -1.608 -9.455 7.273 56 HA VAL 8 HA VAL 8 -2.039 -7.227 8.967 57 HB VAL 8 HB VAL 8 -3.430 -7.693 6.334 58 1HG1 VAL 8 HG11 VAL 8 -4.219 -5.781 7.628 59 2HG1 VAL 8 HG12 VAL 8 -3.398 -5.274 6.152 60 3HG1 VAL 8 HG13 VAL 8 -2.569 -5.159 7.705 61 1HG2 VAL 8 HG21 VAL 8 -1.533 -6.610 5.260 62 2HG2 VAL 8 HG22 VAL 8 -1.085 -8.136 6.023 63 3HG2 VAL 8 HG23 VAL 8 -0.675 -6.607 6.801 64 H ALA 9 HN ALA 9 -3.971 -9.969 8.092 65 HA ALA 9 HA ALA 9 -6.461 -8.765 8.785 66 1HB ALA 9 HB1 ALA 9 -5.751 -11.655 8.308 67 2HB ALA 9 HB2 ALA 9 -6.397 -10.520 7.122 68 3HB ALA 9 HB3 ALA 9 -7.389 -11.028 8.488 69 H GLY 10 HN GLY 10 -3.930 -9.706 10.656 70 1HA GLY 10 HA2 GLY 10 -5.703 -10.466 12.893 71 2HA GLY 10 HA1 GLY 10 -4.054 -11.050 12.723 72 H ILE 11 HN ILE 11 -4.077 -7.885 11.744 73 HA ILE 11 HA ILE 11 -3.081 -7.032 14.369 74 HB ILE 11 HB ILE 11 -1.952 -5.199 13.220 75 1HG1 ILE 11 HG12 ILE 11 -2.985 -6.442 10.660 76 2HG1 ILE 11 HG11 ILE 11 -3.570 -4.936 11.358 77 1HG2 ILE 11 HG21 ILE 11 -0.276 -6.528 12.038 78 2HG2 ILE 11 HG22 ILE 11 -1.393 -7.891 11.986 79 3HG2 ILE 11 HG23 ILE 11 -0.784 -7.308 13.536 80 1HD1 ILE 11 HD11 ILE 11 -0.776 -5.451 10.369 81 2HD1 ILE 11 HD12 ILE 11 -1.368 -3.939 11.058 82 3HD1 ILE 11 HD13 ILE 11 -2.025 -4.531 9.532 83 H ARG 12 HN ARG 12 -3.629 -4.940 15.185 84 HA ARG 12 HA ARG 12 -6.092 -3.790 14.068 85 1HB ARG 12 HB2 ARG 12 -7.146 -3.638 16.198 86 2HB ARG 12 HB1 ARG 12 -6.584 -5.296 16.048 87 1HG ARG 12 HG2 ARG 12 -4.931 -3.230 17.451 88 2HG ARG 12 HG1 ARG 12 -6.243 -4.069 18.279 89 1HD ARG 12 HD2 ARG 12 -4.041 -5.526 16.838 90 2HD ARG 12 HD1 ARG 12 -3.914 -5.050 18.532 91 HE ARG 12 HE ARG 12 -6.216 -6.367 18.575 92 1HH1 ARG 12 HH11 ARG 12 -3.201 -7.210 17.016 93 2HH1 ARG 12 HH12 ARG 12 -3.422 -8.921 17.207 94 1HH2 ARG 12 HH21 ARG 12 -6.521 -8.618 18.841 95 2HH2 ARG 12 HH22 ARG 12 -5.320 -9.719 18.232 96 H THR 13 HN THR 13 -6.524 -1.572 14.965 97 HA THR 13 HA THR 13 -4.200 0.059 15.033 98 HB THR 13 HB THR 13 -6.964 0.797 16.022 99 HG1 THR 13 HG1 THR 13 -7.514 1.191 13.952 100 1HG2 THR 13 HG21 THR 13 -6.301 3.071 15.370 101 2HG2 THR 13 HG22 THR 13 -4.706 2.471 14.914 102 3HG2 THR 13 HG23 THR 13 -5.222 2.410 16.600 103 H VAL 14 HN VAL 14 -2.869 0.439 16.692 104 HA VAL 14 HA VAL 14 -3.725 -0.508 19.339 105 HB VAL 14 HB VAL 14 -1.275 -0.689 19.834 106 1HG1 VAL 14 HG11 VAL 14 -2.631 -2.627 19.204 107 2HG1 VAL 14 HG12 VAL 14 -0.979 -2.771 18.604 108 3HG1 VAL 14 HG13 VAL 14 -2.282 -2.318 17.503 109 1HG2 VAL 14 HG21 VAL 14 0.273 -0.746 17.921 110 2HG2 VAL 14 HG22 VAL 14 -0.430 0.855 18.158 111 3HG2 VAL 14 HG23 VAL 14 -1.027 -0.189 16.867 112 H THR 15 HN THR 15 -2.209 0.525 21.090 113 HA THR 15 HA THR 15 -2.083 3.434 20.676 114 HB THR 15 HB THR 15 -2.858 2.056 23.260 115 HG1 THR 15 HG1 THR 15 -4.360 2.267 21.179 116 1HG2 THR 15 HG21 THR 15 -3.506 4.309 23.976 117 2HG2 THR 15 HG22 THR 15 -2.949 4.963 22.436 118 3HG2 THR 15 HG23 THR 15 -1.794 4.242 23.557 119 HA PRO 16 HA PRO 16 2.188 2.641 21.713 120 1HB PRO 16 HB2 PRO 16 2.289 5.555 22.187 121 2HB PRO 16 HB1 PRO 16 3.221 4.567 21.059 122 1HG PRO 16 HG2 PRO 16 1.292 6.206 20.196 123 2HG PRO 16 HG1 PRO 16 1.575 4.629 19.434 124 1HD PRO 16 HD2 PRO 16 -0.544 5.438 21.389 125 2HD PRO 16 HD1 PRO 16 -0.673 4.404 19.949 126 H SER 17 HN SER 17 3.013 2.014 23.600 127 HA SER 17 HA SER 17 1.799 2.754 26.081 128 1HB SER 17 HB2 SER 17 3.502 1.252 27.076 129 2HB SER 17 HB1 SER 17 2.657 0.490 25.729 130 HG SER 17 HG SER 17 5.308 1.114 26.016 131 H ALA 18 HN ALA 18 4.170 4.178 24.178 132 HA ALA 18 HA ALA 18 5.078 5.841 26.405 133 1HB ALA 18 HB1 ALA 18 6.772 4.099 26.165 134 2HB ALA 18 HB2 ALA 18 7.412 5.666 25.668 135 3HB ALA 18 HB3 ALA 18 6.935 4.482 24.452 136 H LEU 19 HN LEU 19 6.759 7.515 25.228 137 HA LEU 19 HA LEU 19 5.212 8.717 23.047 138 1HB LEU 19 HB2 LEU 19 7.546 9.838 24.609 139 2HB LEU 19 HB1 LEU 19 6.585 10.712 23.432 140 HG LEU 19 HG LEU 19 5.622 9.679 26.102 141 1HD1 LEU 19 HD11 LEU 19 7.087 11.613 26.284 142 2HD1 LEU 19 HD12 LEU 19 5.421 12.048 26.666 143 3HD1 LEU 19 HD13 LEU 19 6.109 12.481 25.101 144 1HD2 LEU 19 HD21 LEU 19 4.160 11.243 23.977 145 2HD2 LEU 19 HD22 LEU 19 3.545 10.871 25.587 146 3HD2 LEU 19 HD23 LEU 19 3.850 9.570 24.436 147 H GLY 20 HN GLY 20 8.461 7.669 23.908 148 1HA GLY 20 HA2 GLY 20 9.007 7.235 21.049 149 2HA GLY 20 HA1 GLY 20 10.198 8.032 22.069 150 H CYS 21 HN CYS 21 11.806 6.685 22.546 151 HA CYS 21 HA CYS 21 11.392 3.836 22.592 152 1HB CYS 21 HB2 CYS 21 13.807 5.575 23.017 153 2HB CYS 21 HB1 CYS 21 13.853 3.832 23.263 154 HG CYS 21 HG CYS 21 13.752 5.593 20.403 155 H GLU 22 HN GLU 22 10.199 3.219 24.257 156 HA GLU 22 HA GLU 22 9.991 4.208 26.792 157 1HB GLU 22 HB2 GLU 22 8.563 2.472 25.738 158 2HB GLU 22 HB1 GLU 22 9.842 1.297 25.999 159 1HG GLU 22 HG2 GLU 22 9.614 1.512 28.384 160 2HG GLU 22 HG1 GLU 22 8.427 2.804 28.185 161 H GLU 23 HN GLU 23 12.030 1.385 25.948 162 HA GLU 23 HA GLU 23 13.238 1.224 28.491 163 1HB GLU 23 HB2 GLU 23 13.185 -0.656 26.891 164 2HB GLU 23 HB1 GLU 23 14.301 0.217 25.848 165 1HG GLU 23 HG2 GLU 23 15.817 0.256 27.966 166 2HG GLU 23 HG1 GLU 23 14.802 -1.092 28.480 167 H CYS 24 HN CYS 24 14.411 2.599 25.431 168 HA CYS 24 HA CYS 24 17.011 3.133 26.131 169 1HB CYS 24 HB2 CYS 24 15.233 4.733 24.294 170 2HB CYS 24 HB1 CYS 24 16.988 4.840 24.350 171 HG CYS 24 HG CYS 24 16.751 3.360 22.169 172 H LEU 25 HN LEU 25 14.157 4.969 27.009 173 HA LEU 25 HA LEU 25 15.287 7.416 27.682 174 1HB LEU 25 HB2 LEU 25 13.027 5.937 29.022 175 2HB LEU 25 HB1 LEU 25 13.417 7.620 29.315 176 HG LEU 25 HG LEU 25 12.536 6.463 26.671 177 1HD1 LEU 25 HD11 LEU 25 10.480 7.725 27.070 178 2HD1 LEU 25 HD12 LEU 25 11.078 8.194 28.662 179 3HD1 LEU 25 HD13 LEU 25 10.742 6.498 28.310 180 1HD2 LEU 25 HD21 LEU 25 12.405 8.784 25.935 181 2HD2 LEU 25 HD22 LEU 25 14.052 8.364 26.406 182 3HD2 LEU 25 HD23 LEU 25 13.042 9.322 27.489 183 H LYS 26 HN LYS 26 15.442 4.366 29.388 184 HA LYS 26 HA LYS 26 16.063 5.360 31.950 185 1HB LYS 26 HB2 LYS 26 16.732 3.131 32.517 186 2HB LYS 26 HB1 LYS 26 15.341 3.021 31.450 187 1HG LYS 26 HG2 LYS 26 16.987 2.657 29.563 188 2HG LYS 26 HG1 LYS 26 18.217 2.456 30.809 189 1HD LYS 26 HD2 LYS 26 15.697 0.819 30.549 190 2HD LYS 26 HD1 LYS 26 17.309 0.303 30.058 191 1HE LYS 26 HE2 LYS 26 18.069 0.508 32.385 192 2HE LYS 26 HE1 LYS 26 16.443 0.993 32.864 193 1HZ LYS 26 HZ1 LYS 26 15.615 -1.151 32.143 194 2HZ LYS 26 HZ2 LYS 26 16.855 -1.363 33.282 195 3HZ LYS 26 HZ3 LYS 26 17.166 -1.616 31.636 196 H ILE 27 HN ILE 27 18.041 4.918 29.113 197 HA ILE 27 HA ILE 27 20.390 5.770 30.682 198 HB ILE 27 HB ILE 27 21.802 4.574 28.991 199 1HG1 ILE 27 HG12 ILE 27 19.168 3.285 28.233 200 2HG1 ILE 27 HG11 ILE 27 20.091 4.392 27.222 201 1HG2 ILE 27 HG21 ILE 27 19.936 2.903 30.662 202 2HG2 ILE 27 HG22 ILE 27 21.455 3.628 31.182 203 3HG2 ILE 27 HG23 ILE 27 21.459 2.342 29.975 204 1HD1 ILE 27 HD11 ILE 27 21.001 1.677 28.150 205 2HD1 ILE 27 HD12 ILE 27 21.924 2.784 27.134 206 3HD1 ILE 27 HD13 ILE 27 20.418 2.087 26.537 207 H GLY 28 HN GLY 28 18.218 6.882 28.590 208 1HA GLY 28 HA2 GLY 28 18.175 8.643 27.112 209 2HA GLY 28 HA1 GLY 28 19.805 9.028 27.648 210 H SER 29 HN SER 29 18.643 6.079 26.097 211 HA SER 29 HA SER 29 20.837 6.166 24.227 212 1HB SER 29 HB2 SER 29 20.088 4.050 25.293 213 2HB SER 29 HB1 SER 29 18.546 4.193 24.454 214 HG SER 29 HG SER 29 21.074 4.049 23.153 215 HA PRO 30 HA PRO 30 18.387 8.353 21.206 216 1HB PRO 30 HB2 PRO 30 20.274 8.528 19.294 217 2HB PRO 30 HB1 PRO 30 20.341 9.493 20.773 218 1HG PRO 30 HG2 PRO 30 21.812 6.982 20.080 219 2HG PRO 30 HG1 PRO 30 22.408 8.440 20.893 220 1HD PRO 30 HD2 PRO 30 21.687 6.153 22.211 221 2HD PRO 30 HD1 PRO 30 21.613 7.771 22.936 222 H TRP 31 HN TRP 31 17.879 8.114 18.831 223 HA TRP 31 HA TRP 31 18.145 5.449 17.737 224 1HB TRP 31 HB2 TRP 31 15.708 5.128 17.488 225 2HB TRP 31 HB1 TRP 31 16.194 5.176 19.177 226 HD1 TRP 31 HD1 TRP 31 14.200 7.147 16.575 227 HE1 TRP 31 HE1 TRP 31 12.762 8.902 17.788 228 HE3 TRP 31 HE3 TRP 31 16.085 6.623 21.302 229 HZ2 TRP 31 HZ2 TRP 31 12.463 9.925 20.399 230 HZ3 TRP 31 HZ3 TRP 31 15.165 8.028 23.098 231 HH2 TRP 31 HH2 TRP 31 13.392 9.645 22.656 232 H VAL 32 HN VAL 32 17.401 5.316 15.526 233 HA VAL 32 HA VAL 32 17.657 7.794 14.078 234 HB VAL 32 HB VAL 32 16.955 5.032 13.048 235 1HG1 VAL 32 HG11 VAL 32 17.625 5.879 10.862 236 2HG1 VAL 32 HG12 VAL 32 17.911 7.474 11.558 237 3HG1 VAL 32 HG13 VAL 32 16.277 6.812 11.514 238 1HG2 VAL 32 HG21 VAL 32 19.610 6.457 13.193 239 2HG2 VAL 32 HG22 VAL 32 19.319 4.932 12.356 240 3HG2 VAL 32 HG23 VAL 32 19.130 5.026 14.107 241 H HIS 33 HN HIS 33 15.136 5.276 14.114 242 HA HIS 33 HA HIS 33 13.085 7.334 14.294 243 1HB HIS 33 HB2 HIS 33 13.198 5.284 12.072 244 2HB HIS 33 HB1 HIS 33 11.729 6.148 12.509 245 HD1 HIS 33 HD1 HIS 33 12.002 8.885 12.361 246 HD2 HIS 33 HD2 HIS 33 14.691 6.552 10.199 247 HE1 HIS 33 HE1 HIS 33 12.989 10.411 10.616 248 HE2 HIS 33 HE2 HIS 33 14.721 9.021 9.428 249 H LEU 34 HN LEU 34 10.847 5.868 14.163 250 HA LEU 34 HA LEU 34 11.220 3.729 16.144 251 1HB LEU 34 HB2 LEU 34 9.214 5.980 16.265 252 2HB LEU 34 HB1 LEU 34 9.216 4.589 17.332 253 HG LEU 34 HG LEU 34 11.461 6.597 17.148 254 1HD1 LEU 34 HD11 LEU 34 10.641 7.422 19.294 255 2HD1 LEU 34 HD12 LEU 34 9.270 6.316 19.200 256 3HD1 LEU 34 HD13 LEU 34 9.432 7.624 18.027 257 1HD2 LEU 34 HD21 LEU 34 10.902 4.375 19.106 258 2HD2 LEU 34 HD22 LEU 34 12.228 5.533 19.207 259 3HD2 LEU 34 HD23 LEU 34 12.164 4.379 17.875 260 H ARG 35 HN ARG 35 9.845 2.024 16.008 261 HA ARG 35 HA ARG 35 7.520 2.254 14.257 262 1HB ARG 35 HB2 ARG 35 7.984 -0.075 13.390 263 2HB ARG 35 HB1 ARG 35 9.019 1.199 12.771 264 1HG ARG 35 HG2 ARG 35 10.169 -0.048 15.112 265 2HG ARG 35 HG1 ARG 35 9.814 -1.228 13.847 266 1HD ARG 35 HD2 ARG 35 10.912 0.624 12.313 267 2HD ARG 35 HD1 ARG 35 11.686 1.087 13.826 268 HE ARG 35 HE ARG 35 12.239 -1.502 13.797 269 1HH1 ARG 35 HH11 ARG 35 12.399 0.828 11.192 270 2HH1 ARG 35 HH12 ARG 35 13.672 -0.001 10.346 271 1HH2 ARG 35 HH21 ARG 35 13.925 -2.616 12.675 272 2HH2 ARG 35 HH22 ARG 35 14.507 -1.953 11.172 273 H ILE 36 HN ILE 36 5.819 0.833 14.757 274 HA ILE 36 HA ILE 36 5.998 -0.338 17.460 275 HB ILE 36 HB ILE 36 4.993 1.874 17.660 276 1HG1 ILE 36 HG12 ILE 36 2.896 -0.296 17.899 277 2HG1 ILE 36 HG11 ILE 36 4.125 0.076 19.105 278 1HG2 ILE 36 HG21 ILE 36 2.906 2.456 16.537 279 2HG2 ILE 36 HG22 ILE 36 2.940 0.923 15.667 280 3HG2 ILE 36 HG23 ILE 36 4.192 2.130 15.373 281 1HD1 ILE 36 HD11 ILE 36 3.153 2.296 19.405 282 2HD1 ILE 36 HD12 ILE 36 1.978 1.018 19.721 283 3HD1 ILE 36 HD13 ILE 36 1.920 1.915 18.203 284 H CYS 37 HN CYS 37 4.863 -2.248 17.747 285 HA CYS 37 HA CYS 37 3.976 -3.676 15.450 286 1HB CYS 37 HB2 CYS 37 3.154 -4.279 18.286 287 2HB CYS 37 HB1 CYS 37 3.200 -5.390 16.931 288 H ARG 38 HN ARG 38 1.948 -3.960 14.623 289 HA ARG 38 HA ARG 38 -0.257 -2.392 15.646 290 1HB ARG 38 HB2 ARG 38 -0.067 -4.429 13.416 291 2HB ARG 38 HB1 ARG 38 -1.528 -3.532 13.803 292 1HG ARG 38 HG2 ARG 38 1.073 -2.238 13.028 293 2HG ARG 38 HG1 ARG 38 -0.217 -2.630 11.888 294 1HD ARG 38 HD2 ARG 38 -0.490 -0.830 14.292 295 2HD ARG 38 HD1 ARG 38 -0.296 -0.283 12.627 296 HE ARG 38 HE ARG 38 -2.560 -2.027 13.177 297 1HH1 ARG 38 HH11 ARG 38 -1.372 1.226 12.695 298 2HH1 ARG 38 HH12 ARG 38 -2.948 1.880 12.351 299 1HH2 ARG 38 HH21 ARG 38 -4.636 -1.161 12.700 300 2HH2 ARG 38 HH22 ARG 38 -4.796 0.533 12.373 301 H THR 39 HN THR 39 0.720 -4.111 17.573 302 HA THR 39 HA THR 39 -1.404 -6.089 17.889 303 HB THR 39 HB THR 39 1.385 -6.956 18.531 304 HG1 THR 39 HG1 THR 39 0.401 -7.655 16.015 305 1HG2 THR 39 HG21 THR 39 -0.496 -8.333 19.245 306 2HG2 THR 39 HG22 THR 39 0.447 -9.166 18.008 307 3HG2 THR 39 HG23 THR 39 -1.087 -8.407 17.584 308 H CYS 40 HN CYS 40 1.665 -5.168 19.509 309 HA CYS 40 HA CYS 40 0.257 -5.442 22.061 310 1HB CYS 40 HB2 CYS 40 2.378 -5.800 23.097 311 2HB CYS 40 HB1 CYS 40 2.350 -6.766 21.629 312 H GLY 41 HN GLY 41 1.146 -2.988 20.008 313 1HA GLY 41 HA2 GLY 41 1.051 -0.707 20.260 314 2HA GLY 41 HA1 GLY 41 0.452 -0.985 21.885 315 H HIS 42 HN HIS 42 3.476 -2.448 21.277 316 HA HIS 42 HA HIS 42 4.737 -0.465 22.990 317 1HB HIS 42 HB2 HIS 42 5.031 -2.794 23.631 318 2HB HIS 42 HB1 HIS 42 5.712 -3.172 22.054 319 HD1 HIS 42 HD1 HIS 42 6.551 -1.514 25.318 320 HD2 HIS 42 HD2 HIS 42 8.393 -2.513 21.723 321 HE1 HIS 42 HE1 HIS 42 9.010 -1.134 25.683 322 HE2 HIS 42 HE2 HIS 42 10.110 -1.989 23.581 323 H VAL 43 HN VAL 43 6.122 0.994 22.312 324 HA VAL 43 HA VAL 43 6.746 1.174 19.491 325 HB VAL 43 HB VAL 43 7.486 3.029 21.762 326 1HG1 VAL 43 HG11 VAL 43 7.535 3.460 18.778 327 2HG1 VAL 43 HG12 VAL 43 8.938 3.316 19.838 328 3HG1 VAL 43 HG13 VAL 43 7.847 4.693 19.999 329 1HG2 VAL 43 HG21 VAL 43 5.211 3.239 19.794 330 2HG2 VAL 43 HG22 VAL 43 5.614 4.402 21.057 331 3HG2 VAL 43 HG23 VAL 43 5.056 2.786 21.491 332 H GLY 44 HN GLY 44 8.647 0.655 18.576 333 1HA GLY 44 HA2 GLY 44 10.966 0.225 20.359 334 2HA GLY 44 HA1 GLY 44 10.578 -0.888 19.054 335 H CYS 45 HN CYS 45 13.002 0.715 19.503 336 HA CYS 45 HA CYS 45 12.970 2.784 17.507 337 1HB CYS 45 HB2 CYS 45 15.371 2.983 17.985 338 2HB CYS 45 HB1 CYS 45 14.426 2.989 19.469 339 HG CYS 45 HG CYS 45 16.620 0.690 18.329 340 H CYS 46 HN CYS 46 14.145 2.767 15.557 341 HA CYS 46 HA CYS 46 14.035 0.442 14.023 342 1HB CYS 46 HB2 CYS 46 15.647 2.967 13.649 343 2HB CYS 46 HB1 CYS 46 15.528 1.699 12.434 344 HG CYS 46 HG CYS 46 13.717 3.214 11.332 345 H ASP 47 HN ASP 47 15.567 -0.994 13.308 346 HA ASP 47 HA ASP 47 17.654 -1.621 15.187 347 1HB ASP 47 HB2 ASP 47 16.888 -2.967 12.593 348 2HB ASP 47 HB1 ASP 47 17.957 -3.631 13.830 349 H ASP 48 HN ASP 48 17.459 0.430 12.624 350 HA ASP 48 HA ASP 48 20.053 0.300 11.530 351 1HB ASP 48 HB2 ASP 48 18.441 2.815 12.033 352 2HB ASP 48 HB1 ASP 48 19.677 2.569 10.804 353 H SER 49 HN SER 49 18.740 1.485 14.508 354 HA SER 49 HA SER 49 21.198 2.745 15.361 355 1HB SER 49 HB2 SER 49 18.691 2.131 16.952 356 2HB SER 49 HB1 SER 49 19.977 3.254 17.398 357 HG SER 49 HG SER 49 19.340 4.191 15.176 358 HA PRO 50 HA PRO 50 23.341 -0.769 16.881 359 1HB PRO 50 HB2 PRO 50 23.683 0.853 19.362 360 2HB PRO 50 HB1 PRO 50 24.894 0.002 18.397 361 1HG PRO 50 HG2 PRO 50 24.628 2.646 18.232 362 2HG PRO 50 HG1 PRO 50 24.986 1.669 16.797 363 1HD PRO 50 HD2 PRO 50 22.448 2.993 17.599 364 2HD PRO 50 HD1 PRO 50 23.088 2.656 15.980 365 H HIS 51 HN HIS 51 20.998 0.734 19.060 366 HA HIS 51 HA HIS 51 20.888 -1.285 20.998 367 1HB HIS 51 HB2 HIS 51 19.689 1.155 20.665 368 2HB HIS 51 HB1 HIS 51 18.335 0.058 20.442 369 HD1 HIS 51 HD1 HIS 51 19.750 1.958 22.995 370 HD2 HIS 51 HD2 HIS 51 18.525 -2.015 22.764 371 HE1 HIS 51 HE1 HIS 51 19.271 1.253 25.360 372 HE2 HIS 51 HE2 HIS 51 18.377 -1.094 25.183 373 H LYS 52 HN LYS 52 19.182 -0.896 17.951 374 HA LYS 52 HA LYS 52 17.582 -2.106 16.874 375 1HB LYS 52 HB2 LYS 52 19.281 -4.420 17.794 376 2HB LYS 52 HB1 LYS 52 18.204 -4.394 16.410 377 1HG LYS 52 HG2 LYS 52 19.640 -2.540 15.480 378 2HG LYS 52 HG1 LYS 52 20.796 -2.928 16.758 379 1HD LYS 52 HD2 LYS 52 19.755 -4.844 14.682 380 2HD LYS 52 HD1 LYS 52 21.339 -4.067 14.657 381 1HE LYS 52 HE2 LYS 52 21.978 -5.196 16.692 382 2HE LYS 52 HE1 LYS 52 20.361 -5.871 16.869 383 1HZ LYS 52 HZ1 LYS 52 20.704 -7.133 14.835 384 2HZ LYS 52 HZ2 LYS 52 21.898 -7.500 15.982 385 3HZ LYS 52 HZ3 LYS 52 22.267 -6.489 14.671 386 H HIS 53 HN HIS 53 15.965 -1.544 18.523 387 HA HIS 53 HA HIS 53 15.316 -3.556 20.466 388 1HB HIS 53 HB2 HIS 53 14.338 -0.872 19.796 389 2HB HIS 53 HB1 HIS 53 13.097 -1.978 20.379 390 HD1 HIS 53 HD1 HIS 53 15.099 0.514 21.702 391 HD2 HIS 53 HD2 HIS 53 14.422 -3.434 22.809 392 HE1 HIS 53 HE1 HIS 53 15.698 0.380 24.142 393 HE2 HIS 53 HE2 HIS 53 15.244 -2.015 24.808 394 H ALA 54 HN ALA 54 14.154 -2.684 17.265 395 HA ALA 54 HA ALA 54 11.648 -3.957 17.501 396 1HB ALA 54 HB1 ALA 54 12.124 -2.206 15.854 397 2HB ALA 54 HB2 ALA 54 11.439 -3.654 15.117 398 3HB ALA 54 HB3 ALA 54 13.167 -3.328 14.980 399 H THR 55 HN THR 55 14.712 -5.088 16.029 400 HA THR 55 HA THR 55 13.637 -7.574 15.195 401 HB THR 55 HB THR 55 16.052 -8.325 15.104 402 HG1 THR 55 HG1 THR 55 16.570 -5.580 15.722 403 1HG2 THR 55 HG21 THR 55 14.903 -7.378 13.165 404 2HG2 THR 55 HG22 THR 55 16.600 -6.896 13.203 405 3HG2 THR 55 HG23 THR 55 15.349 -5.755 13.694 406 H ARG 56 HN ARG 56 15.453 -6.644 18.107 407 HA ARG 56 HA ARG 56 15.569 -9.265 19.174 408 1HB ARG 56 HB2 ARG 56 15.746 -6.609 20.607 409 2HB ARG 56 HB1 ARG 56 16.181 -8.168 21.297 410 1HG ARG 56 HG2 ARG 56 17.888 -8.413 19.502 411 2HG ARG 56 HG1 ARG 56 17.514 -6.765 18.993 412 1HD ARG 56 HD2 ARG 56 19.442 -6.689 20.401 413 2HD ARG 56 HD1 ARG 56 18.087 -5.999 21.291 414 HE ARG 56 HE ARG 56 18.009 -8.522 22.144 415 1HH1 ARG 56 HH11 ARG 56 20.732 -6.335 21.758 416 2HH1 ARG 56 HH12 ARG 56 21.651 -7.069 23.044 417 1HH2 ARG 56 HH21 ARG 56 19.243 -9.484 23.826 418 2HH2 ARG 56 HH22 ARG 56 20.806 -8.831 24.213 419 H HIS 57 HN HIS 57 13.270 -6.617 19.534 420 HA HIS 57 HA HIS 57 11.630 -7.880 21.465 421 1HB HIS 57 HB2 HIS 57 11.435 -5.505 21.104 422 2HB HIS 57 HB1 HIS 57 11.036 -5.742 19.408 423 HD1 HIS 57 HD1 HIS 57 9.501 -5.724 22.826 424 HD2 HIS 57 HD2 HIS 57 8.426 -6.562 18.894 425 HE1 HIS 57 HE1 HIS 57 6.974 -5.839 22.780 426 H PHE 58 HN PHE 58 11.621 -7.855 17.922 427 HA PHE 58 HA PHE 58 9.335 -9.441 17.535 428 1HB PHE 58 HB2 PHE 58 10.232 -8.306 15.646 429 2HB PHE 58 HB1 PHE 58 11.819 -9.029 15.872 430 HD1 PHE 58 HD1 PHE 58 8.340 -10.375 15.564 431 HD2 PHE 58 HD2 PHE 58 12.356 -10.454 14.183 432 HE1 PHE 58 HE1 PHE 58 7.756 -12.164 13.981 433 HE2 PHE 58 HE2 PHE 58 11.784 -12.243 12.597 434 HZ PHE 58 HZ PHE 58 9.479 -13.104 12.496 435 H HIS 59 HN HIS 59 12.728 -10.304 18.052 436 HA HIS 59 HA HIS 59 12.433 -13.079 17.652 437 1HB HIS 59 HB2 HIS 59 14.610 -11.855 17.693 438 2HB HIS 59 HB1 HIS 59 14.440 -11.686 19.436 439 HD1 HIS 59 HD1 HIS 59 15.062 -13.691 20.883 440 HD2 HIS 59 HD2 HIS 59 15.118 -14.506 16.800 441 HE1 HIS 59 HE1 HIS 59 16.157 -15.944 20.651 442 HE2 HIS 59 HE2 HIS 59 16.339 -16.332 18.164 443 H ALA 60 HN ALA 60 11.833 -11.029 20.414 444 HA ALA 60 HA ALA 60 11.682 -13.263 22.247 445 1HB ALA 60 HB1 ALA 60 11.230 -11.575 23.946 446 2HB ALA 60 HB2 ALA 60 11.113 -10.338 22.694 447 3HB ALA 60 HB3 ALA 60 12.649 -11.154 22.987 448 H THR 61 HN THR 61 9.413 -10.980 20.735 449 HA THR 61 HA THR 61 7.220 -12.256 22.202 450 HB THR 61 HB THR 61 5.846 -10.336 21.435 451 HG1 THR 61 HG1 THR 61 8.330 -9.336 20.435 452 1HG2 THR 61 HG21 THR 61 6.990 -10.253 23.598 453 2HG2 THR 61 HG22 THR 61 6.923 -8.654 22.855 454 3HG2 THR 61 HG23 THR 61 8.422 -9.582 22.819 455 H GLY 62 HN GLY 62 8.469 -11.907 18.972 456 1HA GLY 62 HA2 GLY 62 7.851 -13.064 17.062 457 2HA GLY 62 HA1 GLY 62 6.533 -13.793 17.969 458 H HIS 63 HN HIS 63 7.255 -10.363 17.426 459 HA HIS 63 HA HIS 63 4.619 -10.117 16.131 460 1HB HIS 63 HB2 HIS 63 6.199 -8.066 17.701 461 2HB HIS 63 HB1 HIS 63 4.725 -7.702 16.809 462 HD2 HIS 63 HD2 HIS 63 3.391 -10.676 17.978 463 HE1 HIS 63 HE1 HIS 63 3.444 -8.415 21.549 464 HE2 HIS 63 HE2 HIS 63 2.325 -10.328 20.315 465 HA PRO 64 HA PRO 64 7.607 -9.470 12.820 466 1HB PRO 64 HB2 PRO 64 6.074 -10.331 10.797 467 2HB PRO 64 HB1 PRO 64 6.791 -11.448 11.964 468 1HG PRO 64 HG2 PRO 64 3.998 -10.380 11.834 469 2HG PRO 64 HG1 PRO 64 4.549 -12.032 12.170 470 1HD PRO 64 HD2 PRO 64 3.805 -10.243 14.109 471 2HD PRO 64 HD1 PRO 64 4.941 -11.578 14.381 472 H ILE 65 HN ILE 65 4.502 -7.949 13.182 473 HA ILE 65 HA ILE 65 5.046 -6.254 10.851 474 HB ILE 65 HB ILE 65 2.464 -6.716 12.339 475 1HG1 ILE 65 HG12 ILE 65 3.358 -7.289 9.504 476 2HG1 ILE 65 HG11 ILE 65 3.100 -8.484 10.770 477 1HG2 ILE 65 HG21 ILE 65 3.046 -4.787 10.088 478 2HG2 ILE 65 HG22 ILE 65 2.579 -4.369 11.737 479 3HG2 ILE 65 HG23 ILE 65 1.436 -5.197 10.680 480 1HD1 ILE 65 HD11 ILE 65 1.252 -8.452 9.206 481 2HD1 ILE 65 HD12 ILE 65 0.994 -6.735 9.519 482 3HD1 ILE 65 HD13 ILE 65 0.720 -7.915 10.801 483 H ILE 66 HN ILE 66 5.855 -4.380 11.125 484 HA ILE 66 HA ILE 66 5.324 -2.881 13.605 485 HB ILE 66 HB ILE 66 7.534 -1.764 13.221 486 1HG1 ILE 66 HG12 ILE 66 7.988 -4.057 11.295 487 2HG1 ILE 66 HG11 ILE 66 7.723 -2.385 10.813 488 1HG2 ILE 66 HG21 ILE 66 7.257 -3.521 14.891 489 2HG2 ILE 66 HG22 ILE 66 8.861 -3.585 14.160 490 3HG2 ILE 66 HG23 ILE 66 7.623 -4.743 13.673 491 1HD1 ILE 66 HD11 ILE 66 10.072 -2.945 10.743 492 2HD1 ILE 66 HD12 ILE 66 10.030 -3.418 12.441 493 3HD1 ILE 66 HD13 ILE 66 9.763 -1.735 11.988 494 H GLU 67 HN GLU 67 4.499 -0.903 13.352 495 HA GLU 67 HA GLU 67 4.081 0.056 10.617 496 1HB GLU 67 HB2 GLU 67 2.062 -0.278 11.898 497 2HB GLU 67 HB1 GLU 67 2.693 0.685 13.225 498 1HG GLU 67 HG2 GLU 67 2.531 2.685 11.958 499 2HG GLU 67 HG1 GLU 67 2.173 1.790 10.481 500 H GLY 68 HN GLY 68 4.579 2.150 10.010 501 1HA GLY 68 HA2 GLY 68 6.812 3.396 11.226 502 2HA GLY 68 HA1 GLY 68 5.803 4.096 9.967 503 H TYR 69 HN TYR 69 6.615 4.108 13.256 504 HA TYR 69 HA TYR 69 4.192 5.462 14.116 505 1HB TYR 69 HB2 TYR 69 4.996 3.777 15.598 506 2HB TYR 69 HB1 TYR 69 6.631 4.423 15.555 507 HD1 TYR 69 HD1 TYR 69 3.178 5.515 16.507 508 HD2 TYR 69 HD2 TYR 69 7.343 5.637 17.355 509 HE1 TYR 69 HE1 TYR 69 2.723 6.815 18.544 510 HE2 TYR 69 HE2 TYR 69 6.900 6.938 19.389 511 HH TYR 69 HH TYR 69 5.350 8.145 20.491 512 H ASP 70 HN ASP 70 7.693 6.093 14.332 513 HA ASP 70 HA ASP 70 7.319 8.839 15.001 514 1HB ASP 70 HB2 ASP 70 9.296 7.922 15.847 515 2HB ASP 70 HB1 ASP 70 9.714 7.175 14.312 516 HA PRO 71 HA PRO 71 8.448 9.695 10.387 517 1HB PRO 71 HB2 PRO 71 8.017 7.162 8.984 518 2HB PRO 71 HB1 PRO 71 9.404 8.252 8.914 519 1HG PRO 71 HG2 PRO 71 9.533 5.826 10.089 520 2HG PRO 71 HG1 PRO 71 10.478 7.214 10.661 521 1HD PRO 71 HD2 PRO 71 7.935 6.070 11.760 522 2HD PRO 71 HD1 PRO 71 9.372 6.659 12.624 523 HA PRO 72 HA PRO 72 3.947 9.701 10.256 524 1HB PRO 72 HB2 PRO 72 4.197 12.283 8.942 525 2HB PRO 72 HB1 PRO 72 3.557 11.910 10.544 526 1HG PRO 72 HG2 PRO 72 5.887 13.251 10.158 527 2HG PRO 72 HG1 PRO 72 5.585 12.221 11.569 528 1HD PRO 72 HD2 PRO 72 7.130 11.610 9.074 529 2HD PRO 72 HD1 PRO 72 7.522 11.223 10.764 530 H GLU 73 HN GLU 73 4.292 7.993 8.582 531 HA GLU 73 HA GLU 73 3.590 9.054 5.923 532 1HB GLU 73 HB2 GLU 73 5.182 6.545 6.503 533 2HB GLU 73 HB1 GLU 73 4.750 7.152 4.910 534 1HG GLU 73 HG2 GLU 73 6.126 9.118 5.259 535 2HG GLU 73 HG1 GLU 73 6.519 8.574 6.889 536 H GLY 74 HN GLY 74 3.554 5.955 7.699 537 1HA GLY 74 HA2 GLY 74 1.447 5.005 8.436 538 2HA GLY 74 HA1 GLY 74 0.693 5.740 7.030 539 H TRP 75 HN TRP 75 3.041 3.292 8.009 540 HA TRP 75 HA TRP 75 2.080 1.551 5.904 541 1HB TRP 75 HB2 TRP 75 4.460 1.054 5.179 542 2HB TRP 75 HB1 TRP 75 3.817 2.609 4.668 543 HD1 TRP 75 HD1 TRP 75 5.027 4.763 5.505 544 HE1 TRP 75 HE1 TRP 75 7.199 5.203 6.813 545 HE3 TRP 75 HE3 TRP 75 5.959 0.003 7.133 546 HZ2 TRP 75 HZ2 TRP 75 9.056 3.718 8.337 547 HZ3 TRP 75 HZ3 TRP 75 7.956 -0.399 8.511 548 HH2 TRP 75 HH2 TRP 75 9.473 1.421 9.100 549 H GLY 76 HN GLY 76 2.741 -0.648 6.183 550 1HA GLY 76 HA2 GLY 76 3.785 -1.209 8.891 551 2HA GLY 76 HA1 GLY 76 2.483 -2.141 8.164 552 H TRP 77 HN TRP 77 5.597 -2.322 8.932 553 HA TRP 77 HA TRP 77 6.417 -3.805 6.533 554 1HB TRP 77 HB2 TRP 77 8.003 -2.126 7.434 555 2HB TRP 77 HB1 TRP 77 8.029 -2.987 8.968 556 HD1 TRP 77 HD1 TRP 77 9.542 -5.161 9.131 557 HE1 TRP 77 HE1 TRP 77 11.341 -6.172 7.578 558 HE3 TRP 77 HE3 TRP 77 8.601 -2.426 4.914 559 HZ2 TRP 77 HZ2 TRP 77 12.232 -5.840 4.925 560 HZ3 TRP 77 HZ3 TRP 77 9.974 -2.831 2.913 561 HH2 TRP 77 HH2 TRP 77 11.753 -4.503 2.921 562 H CYS 78 HN CYS 78 6.726 -5.985 6.582 563 HA CYS 78 HA CYS 78 6.146 -7.330 9.146 564 1HB CYS 78 HB2 CYS 78 4.430 -7.509 7.223 565 2HB CYS 78 HB1 CYS 78 5.616 -8.540 6.441 566 H TYR 79 HN TYR 79 8.041 -8.062 9.909 567 HA TYR 79 HA TYR 79 10.406 -8.253 8.515 568 1HB TYR 79 HB2 TYR 79 9.483 -9.514 11.070 569 2HB TYR 79 HB1 TYR 79 11.073 -9.901 10.419 570 HD1 TYR 79 HD1 TYR 79 12.306 -7.610 9.536 571 HD2 TYR 79 HD2 TYR 79 9.521 -7.910 12.742 572 HE1 TYR 79 HE1 TYR 79 13.242 -5.570 10.531 573 HE2 TYR 79 HE2 TYR 79 10.449 -5.859 13.738 574 HH TYR 79 HH TYR 79 12.863 -4.655 13.570 575 H VAL 80 HN VAL 80 8.268 -10.998 9.298 576 HA VAL 80 HA VAL 80 9.912 -12.939 8.095 577 HB VAL 80 HB VAL 80 7.852 -14.391 8.132 578 1HG1 VAL 80 HG11 VAL 80 7.789 -14.508 10.585 579 2HG1 VAL 80 HG12 VAL 80 8.624 -12.956 10.670 580 3HG1 VAL 80 HG13 VAL 80 9.436 -14.358 9.972 581 1HG2 VAL 80 HG21 VAL 80 6.643 -11.926 9.379 582 2HG2 VAL 80 HG22 VAL 80 5.915 -13.532 9.388 583 3HG2 VAL 80 HG23 VAL 80 6.155 -12.681 7.862 584 H ASP 81 HN ASP 81 7.777 -10.674 6.673 585 HA ASP 81 HA ASP 81 7.597 -12.239 4.191 586 1HB ASP 81 HB2 ASP 81 6.121 -9.749 5.076 587 2HB ASP 81 HB1 ASP 81 5.950 -10.483 3.487 588 H GLU 82 HN GLU 82 8.885 -9.344 5.598 589 HA GLU 82 HA GLU 82 10.284 -7.723 4.914 590 1HB GLU 82 HB2 GLU 82 10.955 -9.681 2.712 591 2HB GLU 82 HB1 GLU 82 11.822 -8.177 3.001 592 1HG GLU 82 HG2 GLU 82 12.140 -9.094 5.394 593 2HG GLU 82 HG1 GLU 82 11.726 -10.649 4.674 594 H VAL 83 HN VAL 83 7.526 -7.875 4.009 595 HA VAL 83 HA VAL 83 7.727 -6.100 1.676 596 HB VAL 83 HB VAL 83 5.411 -6.621 1.137 597 1HG1 VAL 83 HG11 VAL 83 7.049 -9.119 1.542 598 2HG1 VAL 83 HG12 VAL 83 7.137 -8.028 0.158 599 3HG1 VAL 83 HG13 VAL 83 5.667 -8.956 0.458 600 1HG2 VAL 83 HG21 VAL 83 4.551 -7.016 3.378 601 2HG2 VAL 83 HG22 VAL 83 5.495 -8.502 3.495 602 3HG2 VAL 83 HG23 VAL 83 4.182 -8.381 2.323 603 H MET 84 HN MET 84 6.325 -4.268 1.644 604 HA MET 84 HA MET 84 5.497 -3.359 4.329 605 1HB MET 84 HB2 MET 84 7.487 -2.149 3.541 606 2HB MET 84 HB1 MET 84 6.654 -1.729 2.053 607 1HG MET 84 HG2 MET 84 4.988 -0.480 3.417 608 2HG MET 84 HG1 MET 84 5.988 -0.794 4.833 609 1HE MET 84 HE1 MET 84 8.919 -0.586 3.586 610 2HE MET 84 HE2 MET 84 8.474 0.151 5.125 611 3HE MET 84 HE3 MET 84 9.299 1.109 3.895 612 H PHE 85 HN PHE 85 3.362 -2.979 4.469 613 HA PHE 85 HA PHE 85 1.941 -2.416 1.956 614 1HB PHE 85 HB2 PHE 85 -0.099 -3.320 3.067 615 2HB PHE 85 HB1 PHE 85 1.170 -4.510 2.820 616 HD1 PHE 85 HD1 PHE 85 -0.862 -2.747 5.236 617 HD2 PHE 85 HD2 PHE 85 2.477 -5.338 4.742 618 HE1 PHE 85 HE1 PHE 85 -1.016 -3.394 7.602 619 HE2 PHE 85 HE2 PHE 85 2.331 -5.980 7.112 620 HZ PHE 85 HZ PHE 85 0.589 -5.002 8.547 621 H ASP 86 HN ASP 86 -0.082 -1.108 2.253 622 HA ASP 86 HA ASP 86 0.759 1.335 3.550 623 1HB ASP 86 HB2 ASP 86 -0.150 1.512 1.316 624 2HB ASP 86 HB1 ASP 86 -1.629 0.694 1.809 625 H LEU 87 HN LEU 87 0.000 2.172 5.353 626 HA LEU 87 HA LEU 87 -2.562 1.233 6.432 627 1HB LEU 87 HB2 LEU 87 0.059 1.453 7.909 628 2HB LEU 87 HB1 LEU 87 -1.486 1.454 8.737 629 HG LEU 87 HG LEU 87 -0.450 -0.795 7.007 630 1HD1 LEU 87 HD11 LEU 87 0.829 -0.550 9.073 631 2HD1 LEU 87 HD12 LEU 87 -0.172 -2.002 9.109 632 3HD1 LEU 87 HD13 LEU 87 -0.667 -0.566 10.006 633 1HD2 LEU 87 HD21 LEU 87 -2.888 -0.637 7.012 634 2HD2 LEU 87 HD22 LEU 87 -2.888 -0.608 8.776 635 3HD2 LEU 87 HD23 LEU 87 -2.342 -2.048 7.918 636 H SER 88 HN SER 88 -1.572 3.605 4.940 637 HA SER 88 HA SER 88 -1.024 5.784 6.586 638 1HB SER 88 HB2 SER 88 -0.647 5.751 4.150 639 2HB SER 88 HB1 SER 88 -2.389 5.788 3.886 640 HG SER 88 HG SER 88 -0.999 7.781 5.345 641 H ASP 89 HN ASP 89 -4.100 4.353 5.703 642 HA ASP 89 HA ASP 89 -5.551 6.643 6.797 643 1HB ASP 89 HB2 ASP 89 -6.443 4.197 5.274 644 2HB ASP 89 HB1 ASP 89 -7.578 5.335 5.994 645 H ARG 90 HN ARG 90 -4.142 4.018 8.094 646 HA ARG 90 HA ARG 90 -6.173 3.831 10.224 647 1HB ARG 90 HB2 ARG 90 -4.634 1.508 9.046 648 2HB ARG 90 HB1 ARG 90 -5.687 1.418 10.447 649 1HG ARG 90 HG2 ARG 90 -7.599 2.022 9.035 650 2HG ARG 90 HG1 ARG 90 -6.528 2.066 7.631 651 1HD ARG 90 HD2 ARG 90 -5.980 -0.285 7.957 652 2HD ARG 90 HD1 ARG 90 -7.002 -0.338 9.391 653 HE ARG 90 HE ARG 90 -7.969 0.012 6.624 654 1HH1 ARG 90 HH11 ARG 90 -8.460 -0.942 9.960 655 2HH1 ARG 90 HH12 ARG 90 -10.038 -1.615 9.673 656 1HH2 ARG 90 HH21 ARG 90 -10.048 -0.855 6.237 657 2HH2 ARG 90 HH22 ARG 90 -10.937 -1.582 7.546 658 H MET 91 HN MET 91 -3.287 4.976 9.642 659 HA MET 91 HA MET 91 -1.504 3.363 11.123 660 1HB MET 91 HB2 MET 91 0.138 5.058 10.777 661 2HB MET 91 HB1 MET 91 -0.819 4.923 9.310 662 1HG MET 91 HG2 MET 91 -1.990 6.937 9.796 663 2HG MET 91 HG1 MET 91 -1.293 7.018 11.414 664 1HE MET 91 HE1 MET 91 2.510 7.649 10.543 665 2HE MET 91 HE2 MET 91 1.699 6.099 10.772 666 3HE MET 91 HE3 MET 91 1.347 7.447 11.853 667 H THR 92 HN THR 92 -0.424 3.752 13.042 668 HA THR 92 HA THR 92 -1.941 5.191 15.069 669 HB THR 92 HB THR 92 0.618 3.635 15.465 670 HG1 THR 92 HG1 THR 92 -0.755 2.180 14.511 671 1HG2 THR 92 HG21 THR 92 -1.697 4.252 17.303 672 2HG2 THR 92 HG22 THR 92 -0.108 5.015 17.346 673 3HG2 THR 92 HG23 THR 92 -0.274 3.301 17.726 674 HA PRO 93 HA PRO 93 0.976 8.561 14.166 675 1HB PRO 93 HB2 PRO 93 -0.852 10.168 15.793 676 2HB PRO 93 HB1 PRO 93 -0.413 10.354 14.093 677 1HG PRO 93 HG2 PRO 93 -2.867 9.537 14.862 678 2HG PRO 93 HG1 PRO 93 -2.102 8.966 13.367 679 1HD PRO 93 HD2 PRO 93 -2.315 7.598 16.028 680 2HD PRO 93 HD1 PRO 93 -2.545 6.929 14.397 681 H HIS 94 HN HIS 94 2.371 9.836 15.427 682 HA HIS 94 HA HIS 94 3.428 8.723 17.693 683 1HB HIS 94 HB2 HIS 94 4.588 10.871 18.078 684 2HB HIS 94 HB1 HIS 94 4.656 10.358 16.398 685 HD1 HIS 94 HD1 HIS 94 3.873 13.207 18.482 686 HD2 HIS 94 HD2 HIS 94 2.722 11.845 14.726 687 HE1 HIS 94 HE1 HIS 94 2.899 15.206 17.303 688 HE2 HIS 94 HE2 HIS 94 2.370 14.395 14.974 689 H ASN 95 HN ASN 95 2.967 8.617 19.753 690 HA ASN 95 HA ASN 95 0.463 9.430 20.751 691 1HB ASN 95 HB2 ASN 95 1.664 7.464 21.580 692 2HB ASN 95 HB1 ASN 95 2.940 8.493 22.216 693 1HD2 ASN 95 HD21 ASN 95 2.639 7.656 24.268 694 2HD2 ASN 95 HD22 ASN 95 1.293 8.116 25.258 695 H GLY 96 HN GLY 96 3.677 10.824 21.009 696 1HA GLY 96 HA2 GLY 96 2.490 13.352 21.782 697 2HA GLY 96 HA1 GLY 96 3.576 12.643 22.970 698 HA PRO 97 HA PRO 97 6.309 15.116 20.216 699 1HB PRO 97 HB2 PRO 97 7.731 15.669 22.712 700 2HB PRO 97 HB1 PRO 97 7.021 16.802 21.559 701 1HG PRO 97 HG2 PRO 97 5.982 16.413 24.017 702 2HG PRO 97 HG1 PRO 97 4.973 16.796 22.609 703 1HD PRO 97 HD2 PRO 97 5.491 14.138 23.902 704 2HD PRO 97 HD1 PRO 97 3.959 14.823 23.312 705 H ILE 98 HN ILE 98 8.148 14.325 19.347 706 HA ILE 98 HA ILE 98 9.576 12.227 20.840 707 HB ILE 98 HB ILE 98 8.864 12.127 17.903 708 1HG1 ILE 98 HG12 ILE 98 7.920 10.457 20.244 709 2HG1 ILE 98 HG11 ILE 98 6.951 11.610 19.333 710 1HG2 ILE 98 HG21 ILE 98 10.373 10.139 19.597 711 2HG2 ILE 98 HG22 ILE 98 11.076 11.186 18.365 712 3HG2 ILE 98 HG23 ILE 98 9.926 9.931 17.904 713 1HD1 ILE 98 HD11 ILE 98 8.141 9.065 18.259 714 2HD1 ILE 98 HD12 ILE 98 7.163 10.215 17.345 715 3HD1 ILE 98 HD13 ILE 98 6.452 9.326 18.693 716 HA PRO 99 HA PRO 99 13.081 14.799 19.746 717 1HB PRO 99 HB2 PRO 99 14.606 12.497 20.781 718 2HB PRO 99 HB1 PRO 99 14.613 14.179 21.318 719 1HG PRO 99 HG2 PRO 99 13.481 12.241 22.786 720 2HG PRO 99 HG1 PRO 99 12.804 13.879 22.719 721 1HD PRO 99 HD2 PRO 99 11.905 11.397 21.305 722 2HD PRO 99 HD1 PRO 99 10.934 12.673 22.071 723 H ARG 100 HN ARG 100 13.283 14.781 17.564 724 HA ARG 100 HA ARG 100 13.939 12.330 16.153 725 1HB ARG 100 HB2 ARG 100 12.356 13.937 15.163 726 2HB ARG 100 HB1 ARG 100 13.610 15.168 15.153 727 1HG ARG 100 HG2 ARG 100 13.368 14.269 12.948 728 2HG ARG 100 HG1 ARG 100 14.926 13.767 13.606 729 1HD ARG 100 HD2 ARG 100 13.847 11.923 12.439 730 2HD ARG 100 HD1 ARG 100 13.988 11.577 14.161 731 HE ARG 100 HE ARG 100 11.697 11.556 14.325 732 1HH1 ARG 100 HH11 ARG 100 12.591 12.945 11.220 733 2HH1 ARG 100 HH12 ARG 100 10.961 12.893 10.598 734 1HH2 ARG 100 HH21 ARG 100 9.595 11.474 13.512 735 2HH2 ARG 100 HH22 ARG 100 9.261 12.062 11.909 736 H TYR 101 HN TYR 101 15.982 11.659 16.133 737 HA TYR 101 HA TYR 101 18.122 13.526 16.687 738 1HB TYR 101 HB2 TYR 101 18.118 10.528 16.321 739 2HB TYR 101 HB1 TYR 101 19.553 11.474 16.702 740 HD1 TYR 101 HD1 TYR 101 19.805 12.524 18.896 741 HD2 TYR 101 HD2 TYR 101 16.424 10.107 17.992 742 HE1 TYR 101 HE1 TYR 101 19.276 12.375 21.292 743 HE2 TYR 101 HE2 TYR 101 15.886 9.954 20.384 744 HH TYR 101 HH TYR 101 17.362 11.944 22.727 745 H VAL 102 HN VAL 102 17.364 11.198 14.094 746 HA VAL 102 HA VAL 102 18.948 12.869 12.285 747 HB VAL 102 HB VAL 102 19.668 10.648 11.165 748 1HG1 VAL 102 HG11 VAL 102 20.843 11.496 13.811 749 2HG1 VAL 102 HG12 VAL 102 21.213 12.198 12.236 750 3HG1 VAL 102 HG13 VAL 102 21.662 10.529 12.586 751 1HG2 VAL 102 HG21 VAL 102 18.278 9.133 12.448 752 2HG2 VAL 102 HG22 VAL 102 19.022 9.680 13.950 753 3HG2 VAL 102 HG23 VAL 102 19.980 8.792 12.766 Start of MODEL 12 1 1H MET 1 HT1 MET 1 4.552 0.510 -2.301 2 2H MET 1 HT2 MET 1 5.928 -0.395 -1.897 3 3H MET 1 HT3 MET 1 5.464 0.918 -0.929 4 HA MET 1 HA MET 1 4.923 -1.254 0.045 5 1HB MET 1 HB2 MET 1 2.669 -0.674 0.733 6 2HB MET 1 HB1 MET 1 3.655 0.776 0.659 7 1HG MET 1 HG2 MET 1 1.758 -0.081 -1.512 8 2HG MET 1 HG1 MET 1 1.338 1.031 -0.212 9 1HE MET 1 HE1 MET 1 0.976 1.757 -3.286 10 2HE MET 1 HE2 MET 1 1.589 3.411 -3.305 11 3HE MET 1 HE3 MET 1 0.582 2.858 -1.967 12 H THR 2 HN THR 2 3.186 -2.927 0.089 13 HA THR 2 HA THR 2 2.245 -3.672 -2.586 14 HB THR 2 HB THR 2 4.394 -4.859 -2.119 15 HG1 THR 2 HG1 THR 2 2.677 -5.810 -3.421 16 1HG2 THR 2 HG21 THR 2 2.819 -6.152 0.111 17 2HG2 THR 2 HG22 THR 2 4.205 -5.077 0.300 18 3HG2 THR 2 HG23 THR 2 4.414 -6.660 -0.448 19 H MET 3 HN MET 3 0.947 -5.924 -2.154 20 HA MET 3 HA MET 3 -1.354 -5.166 -0.672 21 1HB MET 3 HB2 MET 3 -1.430 -6.575 -2.705 22 2HB MET 3 HB1 MET 3 -0.610 -7.861 -1.831 23 1HG MET 3 HG2 MET 3 -2.530 -7.921 -0.251 24 2HG MET 3 HG1 MET 3 -3.356 -6.760 -1.289 25 1HE MET 3 HE1 MET 3 -1.929 -10.390 -0.962 26 2HE MET 3 HE2 MET 3 -1.015 -9.752 -2.329 27 3HE MET 3 HE3 MET 3 -2.198 -11.036 -2.581 28 H GLY 4 HN GLY 4 -2.228 -6.073 1.205 29 1HA GLY 4 HA2 GLY 4 -0.346 -6.770 3.221 30 2HA GLY 4 HA1 GLY 4 -2.095 -6.775 3.387 31 H CYS 5 HN CYS 5 -0.343 -8.665 4.522 32 HA CYS 5 HA CYS 5 -0.869 -11.099 2.966 33 1HB CYS 5 HB2 CYS 5 0.836 -12.163 4.375 34 2HB CYS 5 HB1 CYS 5 1.481 -10.725 3.589 35 H ARG 6 HN ARG 6 -1.192 -13.078 4.550 36 HA ARG 6 HA ARG 6 -3.672 -12.823 5.773 37 1HB ARG 6 HB2 ARG 6 -3.117 -15.024 6.877 38 2HB ARG 6 HB1 ARG 6 -2.952 -14.985 5.128 39 1HG ARG 6 HG2 ARG 6 -0.562 -14.831 5.299 40 2HG ARG 6 HG1 ARG 6 -0.658 -14.671 7.053 41 1HD ARG 6 HD2 ARG 6 -1.695 -17.074 5.568 42 2HD ARG 6 HD1 ARG 6 -0.042 -16.960 6.170 43 HE ARG 6 HE ARG 6 -1.111 -16.630 8.426 44 1HH1 ARG 6 HH11 ARG 6 -2.740 -18.418 5.879 45 2HH1 ARG 6 HH12 ARG 6 -3.641 -19.397 6.994 46 1HH2 ARG 6 HH21 ARG 6 -2.281 -17.926 9.863 47 2HH2 ARG 6 HH22 ARG 6 -3.368 -19.141 9.246 48 H HIS 7 HN HIS 7 -0.524 -12.213 7.110 49 HA HIS 7 HA HIS 7 -1.206 -12.413 9.847 50 1HB HIS 7 HB2 HIS 7 1.009 -10.846 8.513 51 2HB HIS 7 HB1 HIS 7 0.875 -11.118 10.247 52 HD2 HIS 7 HD2 HIS 7 0.494 -14.215 10.526 53 HE1 HIS 7 HE1 HIS 7 3.711 -14.587 7.804 54 HE2 HIS 7 HE2 HIS 7 2.176 -15.835 9.385 55 H VAL 8 HN VAL 8 -1.724 -9.937 7.480 56 HA VAL 8 HA VAL 8 -1.959 -7.708 9.227 57 HB VAL 8 HB VAL 8 -3.413 -8.065 6.608 58 1HG1 VAL 8 HG11 VAL 8 -3.296 -5.639 6.474 59 2HG1 VAL 8 HG12 VAL 8 -2.465 -5.585 8.028 60 3HG1 VAL 8 HG13 VAL 8 -4.133 -6.150 7.940 61 1HG2 VAL 8 HG21 VAL 8 -1.083 -8.578 6.287 62 2HG2 VAL 8 HG22 VAL 8 -0.625 -7.069 7.076 63 3HG2 VAL 8 HG23 VAL 8 -1.491 -7.035 5.540 64 H ALA 9 HN ALA 9 -4.081 -10.295 8.288 65 HA ALA 9 HA ALA 9 -6.478 -9.030 9.084 66 1HB ALA 9 HB1 ALA 9 -7.493 -11.247 8.902 67 2HB ALA 9 HB2 ALA 9 -5.890 -11.973 8.786 68 3HB ALA 9 HB3 ALA 9 -6.466 -10.898 7.511 69 H GLY 10 HN GLY 10 -3.894 -10.309 10.831 70 1HA GLY 10 HA2 GLY 10 -5.557 -10.923 13.173 71 2HA GLY 10 HA1 GLY 10 -3.890 -11.427 12.945 72 H ILE 11 HN ILE 11 -3.713 -8.384 11.934 73 HA ILE 11 HA ILE 11 -2.775 -7.486 14.536 74 HB ILE 11 HB ILE 11 -1.787 -5.573 13.385 75 1HG1 ILE 11 HG12 ILE 11 -2.845 -6.812 10.834 76 2HG1 ILE 11 HG11 ILE 11 -3.506 -5.369 11.593 77 1HG2 ILE 11 HG21 ILE 11 -1.179 -8.239 12.122 78 2HG2 ILE 11 HG22 ILE 11 -0.486 -7.590 13.608 79 3HG2 ILE 11 HG23 ILE 11 -0.128 -6.824 12.060 80 1HD1 ILE 11 HD11 ILE 11 -0.721 -5.672 10.496 81 2HD1 ILE 11 HD12 ILE 11 -1.375 -4.223 11.258 82 3HD1 ILE 11 HD13 ILE 11 -2.053 -4.803 9.736 83 H ARG 12 HN ARG 12 -3.276 -5.373 15.359 84 HA ARG 12 HA ARG 12 -5.996 -4.496 14.650 85 1HB ARG 12 HB2 ARG 12 -6.452 -4.256 17.087 86 2HB ARG 12 HB1 ARG 12 -6.198 -5.925 16.590 87 1HG ARG 12 HG2 ARG 12 -3.837 -5.718 17.368 88 2HG ARG 12 HG1 ARG 12 -4.250 -4.132 18.018 89 1HD ARG 12 HD2 ARG 12 -5.930 -5.151 19.461 90 2HD ARG 12 HD1 ARG 12 -5.556 -6.738 18.790 91 HE ARG 12 HE ARG 12 -3.366 -5.278 20.041 92 1HH1 ARG 12 HH11 ARG 12 -5.744 -7.831 20.253 93 2HH1 ARG 12 HH12 ARG 12 -4.996 -8.594 21.622 94 1HH2 ARG 12 HH21 ARG 12 -2.344 -6.300 21.805 95 2HH2 ARG 12 HH22 ARG 12 -3.042 -7.728 22.492 96 H THR 13 HN THR 13 -6.505 -2.367 15.843 97 HA THR 13 HA THR 13 -4.310 -0.512 15.445 98 HB THR 13 HB THR 13 -7.066 0.142 16.497 99 HG1 THR 13 HG1 THR 13 -7.449 -0.910 14.574 100 1HG2 THR 13 HG21 THR 13 -6.631 2.318 15.448 101 2HG2 THR 13 HG22 THR 13 -5.045 1.750 14.926 102 3HG2 THR 13 HG23 THR 13 -5.396 1.928 16.645 103 H VAL 14 HN VAL 14 -2.873 -0.261 17.049 104 HA VAL 14 HA VAL 14 -3.703 -1.021 19.749 105 HB VAL 14 HB VAL 14 -1.285 -1.229 20.231 106 1HG1 VAL 14 HG11 VAL 14 -2.208 -2.778 17.816 107 2HG1 VAL 14 HG12 VAL 14 -2.618 -3.149 19.491 108 3HG1 VAL 14 HG13 VAL 14 -0.944 -3.262 18.947 109 1HG2 VAL 14 HG21 VAL 14 -0.965 -0.650 17.286 110 2HG2 VAL 14 HG22 VAL 14 0.314 -1.186 18.376 111 3HG2 VAL 14 HG23 VAL 14 -0.441 0.391 18.610 112 H THR 15 HN THR 15 -2.639 0.071 21.550 113 HA THR 15 HA THR 15 -2.441 2.966 21.089 114 HB THR 15 HB THR 15 -3.010 1.494 23.677 115 HG1 THR 15 HG1 THR 15 -4.724 1.429 22.057 116 1HG2 THR 15 HG21 THR 15 -3.601 3.708 24.550 117 2HG2 THR 15 HG22 THR 15 -3.143 4.442 23.013 118 3HG2 THR 15 HG23 THR 15 -1.920 3.667 24.019 119 HA PRO 16 HA PRO 16 1.924 2.339 21.625 120 1HB PRO 16 HB2 PRO 16 1.915 5.257 22.138 121 2HB PRO 16 HB1 PRO 16 2.809 4.325 20.931 122 1HG PRO 16 HG2 PRO 16 0.727 5.837 20.228 123 2HG PRO 16 HG1 PRO 16 1.022 4.266 19.460 124 1HD PRO 16 HD2 PRO 16 -0.960 4.999 21.578 125 2HD PRO 16 HD1 PRO 16 -1.153 3.926 20.175 126 H SER 17 HN SER 17 2.812 1.571 23.393 127 HA SER 17 HA SER 17 1.996 2.165 26.018 128 1HB SER 17 HB2 SER 17 3.097 0.048 25.354 129 2HB SER 17 HB1 SER 17 4.600 0.926 25.081 130 HG SER 17 HG SER 17 4.986 0.647 27.118 131 H ALA 18 HN ALA 18 4.477 3.510 23.959 132 HA ALA 18 HA ALA 18 4.961 5.603 25.940 133 1HB ALA 18 HB1 ALA 18 6.755 3.967 26.256 134 2HB ALA 18 HB2 ALA 18 7.378 5.481 25.598 135 3HB ALA 18 HB3 ALA 18 7.164 4.083 24.544 136 H LEU 19 HN LEU 19 6.135 7.470 24.946 137 HA LEU 19 HA LEU 19 5.050 8.165 22.402 138 1HB LEU 19 HB2 LEU 19 7.003 9.438 24.283 139 2HB LEU 19 HB1 LEU 19 6.840 10.069 22.658 140 HG LEU 19 HG LEU 19 4.448 10.501 23.077 141 1HD1 LEU 19 HD11 LEU 19 5.064 9.629 25.894 142 2HD1 LEU 19 HD12 LEU 19 4.014 8.790 24.752 143 3HD1 LEU 19 HD13 LEU 19 3.567 10.388 25.351 144 1HD2 LEU 19 HD21 LEU 19 4.773 12.377 24.624 145 2HD2 LEU 19 HD22 LEU 19 6.068 12.266 23.432 146 3HD2 LEU 19 HD23 LEU 19 6.340 11.712 25.084 147 H GLY 20 HN GLY 20 8.255 7.256 23.544 148 1HA GLY 20 HA2 GLY 20 8.952 6.544 20.776 149 2HA GLY 20 HA1 GLY 20 10.095 7.408 21.799 150 H CYS 21 HN CYS 21 11.598 5.689 21.602 151 HA CYS 21 HA CYS 21 10.901 3.071 22.577 152 1HB CYS 21 HB2 CYS 21 12.616 3.422 20.808 153 2HB CYS 21 HB1 CYS 21 13.631 4.244 21.986 154 HG CYS 21 HG CYS 21 14.931 2.076 22.404 155 H GLU 22 HN GLU 22 10.312 3.105 24.678 156 HA GLU 22 HA GLU 22 11.321 4.890 26.597 157 1HB GLU 22 HB2 GLU 22 10.013 3.729 28.196 158 2HB GLU 22 HB1 GLU 22 9.117 3.676 26.687 159 1HG GLU 22 HG2 GLU 22 10.800 1.429 27.772 160 2HG GLU 22 HG1 GLU 22 9.053 1.563 27.945 161 H GLU 23 HN GLU 23 12.350 1.698 25.633 162 HA GLU 23 HA GLU 23 14.020 1.103 27.807 163 1HB GLU 23 HB2 GLU 23 13.287 -0.275 25.651 164 2HB GLU 23 HB1 GLU 23 14.841 0.295 25.058 165 1HG GLU 23 HG2 GLU 23 15.194 -1.839 26.009 166 2HG GLU 23 HG1 GLU 23 15.880 -0.655 27.122 167 H CYS 24 HN CYS 24 14.610 2.889 24.814 168 HA CYS 24 HA CYS 24 17.355 3.385 25.312 169 1HB CYS 24 HB2 CYS 24 15.343 4.797 23.558 170 2HB CYS 24 HB1 CYS 24 17.052 5.214 23.603 171 HG CYS 24 HG CYS 24 17.809 3.481 21.887 172 H LEU 25 HN LEU 25 14.396 4.912 26.322 173 HA LEU 25 HA LEU 25 15.502 7.399 27.114 174 1HB LEU 25 HB2 LEU 25 12.984 5.966 27.942 175 2HB LEU 25 HB1 LEU 25 13.396 7.581 28.486 176 HG LEU 25 HG LEU 25 12.992 6.791 25.599 177 1HD1 LEU 25 HD11 LEU 25 10.909 6.671 26.858 178 2HD1 LEU 25 HD12 LEU 25 10.904 8.052 25.762 179 3HD1 LEU 25 HD13 LEU 25 11.183 8.295 27.486 180 1HD2 LEU 25 HD21 LEU 25 13.365 9.486 26.904 181 2HD2 LEU 25 HD22 LEU 25 13.012 9.205 25.199 182 3HD2 LEU 25 HD23 LEU 25 14.540 8.653 25.885 183 H LYS 26 HN LYS 26 15.627 4.277 28.554 184 HA LYS 26 HA LYS 26 15.800 5.193 31.272 185 1HB LYS 26 HB2 LYS 26 15.998 2.962 31.882 186 2HB LYS 26 HB1 LYS 26 15.088 2.852 30.384 187 1HG LYS 26 HG2 LYS 26 17.377 2.507 29.264 188 2HG LYS 26 HG1 LYS 26 17.958 2.176 30.896 189 1HD LYS 26 HD2 LYS 26 15.770 0.717 29.422 190 2HD LYS 26 HD1 LYS 26 17.378 0.103 29.804 191 1HE LYS 26 HE2 LYS 26 16.876 0.172 32.169 192 2HE LYS 26 HE1 LYS 26 15.304 0.901 31.840 193 1HZ LYS 26 HZ1 LYS 26 14.722 -1.121 30.585 194 2HZ LYS 26 HZ2 LYS 26 15.031 -1.434 32.226 195 3HZ LYS 26 HZ3 LYS 26 16.194 -1.822 31.058 196 H ILE 27 HN ILE 27 17.959 5.046 28.656 197 HA ILE 27 HA ILE 27 20.233 5.487 30.478 198 HB ILE 27 HB ILE 27 21.708 4.467 28.734 199 1HG1 ILE 27 HG12 ILE 27 19.078 3.496 27.588 200 2HG1 ILE 27 HG11 ILE 27 20.157 4.661 26.830 201 1HG2 ILE 27 HG21 ILE 27 21.076 3.235 30.737 202 2HG2 ILE 27 HG22 ILE 27 21.213 2.153 29.351 203 3HG2 ILE 27 HG23 ILE 27 19.622 2.648 29.930 204 1HD1 ILE 27 HD11 ILE 27 21.876 2.951 26.629 205 2HD1 ILE 27 HD12 ILE 27 20.378 2.450 25.841 206 3HD1 ILE 27 HD13 ILE 27 20.812 1.784 27.415 207 H GLY 28 HN GLY 28 18.274 6.906 28.272 208 1HA GLY 28 HA2 GLY 28 18.430 8.903 27.128 209 2HA GLY 28 HA1 GLY 28 20.037 9.104 27.813 210 H SER 29 HN SER 29 18.681 6.604 25.696 211 HA SER 29 HA SER 29 20.978 6.932 23.918 212 1HB SER 29 HB2 SER 29 20.519 4.662 24.702 213 2HB SER 29 HB1 SER 29 18.873 4.756 24.081 214 HG SER 29 HG SER 29 21.308 4.572 22.664 215 HA PRO 30 HA PRO 30 18.227 9.295 21.236 216 1HB PRO 30 HB2 PRO 30 20.649 9.404 19.559 217 2HB PRO 30 HB1 PRO 30 19.691 10.724 20.236 218 1HG PRO 30 HG2 PRO 30 22.128 10.138 21.183 219 2HG PRO 30 HG1 PRO 30 20.823 10.692 22.251 220 1HD PRO 30 HD2 PRO 30 21.848 7.912 21.790 221 2HD PRO 30 HD1 PRO 30 21.387 8.703 23.313 222 H TRP 31 HN TRP 31 16.844 8.119 20.086 223 HA TRP 31 HA TRP 31 17.750 5.896 18.469 224 1HB TRP 31 HB2 TRP 31 15.313 5.566 18.018 225 2HB TRP 31 HB1 TRP 31 15.731 5.534 19.725 226 HD1 TRP 31 HD1 TRP 31 14.192 7.988 17.140 227 HE1 TRP 31 HE1 TRP 31 12.546 9.524 18.392 228 HE3 TRP 31 HE3 TRP 31 15.000 6.334 21.913 229 HZ2 TRP 31 HZ2 TRP 31 11.697 9.965 21.040 230 HZ3 TRP 31 HZ3 TRP 31 13.724 7.366 23.745 231 HH2 TRP 31 HH2 TRP 31 12.108 9.145 23.315 232 H VAL 32 HN VAL 32 17.252 5.680 16.228 233 HA VAL 32 HA VAL 32 17.421 8.208 14.792 234 HB VAL 32 HB VAL 32 17.547 5.400 13.672 235 1HG1 VAL 32 HG11 VAL 32 18.627 6.484 11.748 236 2HG1 VAL 32 HG12 VAL 32 18.357 8.058 12.497 237 3HG1 VAL 32 HG13 VAL 32 16.983 7.069 12.004 238 1HG2 VAL 32 HG21 VAL 32 19.342 5.748 15.286 239 2HG2 VAL 32 HG22 VAL 32 19.808 7.237 14.463 240 3HG2 VAL 32 HG23 VAL 32 19.978 5.685 13.642 241 H HIS 33 HN HIS 33 15.480 5.226 14.656 242 HA HIS 33 HA HIS 33 13.160 6.847 13.935 243 1HB HIS 33 HB2 HIS 33 14.143 4.436 12.404 244 2HB HIS 33 HB1 HIS 33 12.478 4.998 12.307 245 HD1 HIS 33 HD1 HIS 33 12.287 7.646 11.539 246 HD2 HIS 33 HD2 HIS 33 15.785 5.600 10.583 247 HE1 HIS 33 HE1 HIS 33 13.376 8.975 9.699 248 HE2 HIS 33 HE2 HIS 33 15.596 7.850 9.314 249 H LEU 34 HN LEU 34 11.112 5.433 14.056 250 HA LEU 34 HA LEU 34 11.358 3.590 16.353 251 1HB LEU 34 HB2 LEU 34 9.304 5.771 15.980 252 2HB LEU 34 HB1 LEU 34 9.255 4.558 17.244 253 HG LEU 34 HG LEU 34 11.418 6.635 16.918 254 1HD1 LEU 34 HD11 LEU 34 9.138 6.452 18.878 255 2HD1 LEU 34 HD12 LEU 34 9.296 7.624 17.570 256 3HD1 LEU 34 HD13 LEU 34 10.437 7.645 18.915 257 1HD2 LEU 34 HD21 LEU 34 10.908 4.628 19.110 258 2HD2 LEU 34 HD22 LEU 34 12.147 5.883 19.123 259 3HD2 LEU 34 HD23 LEU 34 12.228 4.576 17.941 260 H ARG 35 HN ARG 35 10.193 1.771 16.230 261 HA ARG 35 HA ARG 35 8.046 1.608 14.225 262 1HB ARG 35 HB2 ARG 35 10.106 -0.543 14.766 263 2HB ARG 35 HB1 ARG 35 8.756 -0.669 13.648 264 1HG ARG 35 HG2 ARG 35 9.735 1.194 12.334 265 2HG ARG 35 HG1 ARG 35 11.130 1.169 13.415 266 1HD ARG 35 HD2 ARG 35 11.495 -1.205 12.804 267 2HD ARG 35 HD1 ARG 35 10.176 -1.073 11.642 268 HE ARG 35 HE ARG 35 12.569 0.631 11.442 269 1HH1 ARG 35 HH11 ARG 35 10.325 -1.661 10.039 270 2HH1 ARG 35 HH12 ARG 35 11.041 -1.581 8.455 271 1HH2 ARG 35 HH21 ARG 35 13.522 0.714 9.362 272 2HH2 ARG 35 HH22 ARG 35 12.838 -0.233 8.075 273 H ILE 36 HN ILE 36 6.220 0.639 14.924 274 HA ILE 36 HA ILE 36 6.280 -0.608 17.601 275 HB ILE 36 HB ILE 36 5.356 1.635 17.794 276 1HG1 ILE 36 HG12 ILE 36 3.193 -0.478 17.937 277 2HG1 ILE 36 HG11 ILE 36 4.368 -0.114 19.197 278 1HG2 ILE 36 HG21 ILE 36 3.323 2.302 16.605 279 2HG2 ILE 36 HG22 ILE 36 3.357 0.788 15.702 280 3HG2 ILE 36 HG23 ILE 36 4.651 1.969 15.493 281 1HD1 ILE 36 HD11 ILE 36 2.240 1.760 18.185 282 2HD1 ILE 36 HD12 ILE 36 3.407 2.107 19.461 283 3HD1 ILE 36 HD13 ILE 36 2.194 0.849 19.695 284 H CYS 37 HN CYS 37 5.124 -2.503 17.818 285 HA CYS 37 HA CYS 37 4.208 -3.856 15.488 286 1HB CYS 37 HB2 CYS 37 3.410 -4.495 18.325 287 2HB CYS 37 HB1 CYS 37 3.355 -5.575 16.944 288 H ARG 38 HN ARG 38 2.139 -4.223 14.740 289 HA ARG 38 HA ARG 38 -0.003 -2.557 15.776 290 1HB ARG 38 HB2 ARG 38 0.111 -4.553 13.504 291 2HB ARG 38 HB1 ARG 38 -1.318 -3.615 13.919 292 1HG ARG 38 HG2 ARG 38 1.333 -2.452 13.088 293 2HG ARG 38 HG1 ARG 38 -0.065 -2.664 12.032 294 1HD ARG 38 HD2 ARG 38 0.064 -0.948 14.510 295 2HD ARG 38 HD1 ARG 38 0.059 -0.375 12.842 296 HE ARG 38 HE ARG 38 -2.213 -1.906 13.920 297 1HH1 ARG 38 HH11 ARG 38 -0.904 1.001 12.450 298 2HH1 ARG 38 HH12 ARG 38 -2.474 1.662 12.101 299 1HH2 ARG 38 HH21 ARG 38 -4.268 -1.008 13.456 300 2HH2 ARG 38 HH22 ARG 38 -4.367 0.542 12.685 301 H THR 39 HN THR 39 1.000 -4.432 17.609 302 HA THR 39 HA THR 39 -1.286 -6.221 17.965 303 HB THR 39 HB THR 39 1.482 -7.276 18.476 304 HG1 THR 39 HG1 THR 39 0.208 -8.014 16.106 305 1HG2 THR 39 HG21 THR 39 -1.169 -8.582 17.849 306 2HG2 THR 39 HG22 THR 39 -0.397 -8.493 19.433 307 3HG2 THR 39 HG23 THR 39 0.347 -9.435 18.140 308 H CYS 40 HN CYS 40 1.872 -5.618 19.556 309 HA CYS 40 HA CYS 40 0.527 -5.769 22.127 310 1HB CYS 40 HB2 CYS 40 2.696 -6.013 23.113 311 2HB CYS 40 HB1 CYS 40 2.652 -7.026 21.677 312 H GLY 41 HN GLY 41 1.752 -3.335 20.029 313 1HA GLY 41 HA2 GLY 41 1.501 -1.045 20.220 314 2HA GLY 41 HA1 GLY 41 0.841 -1.293 21.827 315 H HIS 42 HN HIS 42 3.850 -2.806 21.394 316 HA HIS 42 HA HIS 42 5.117 -0.841 23.109 317 1HB HIS 42 HB2 HIS 42 5.321 -3.393 23.383 318 2HB HIS 42 HB1 HIS 42 6.416 -3.333 22.008 319 HD1 HIS 42 HD1 HIS 42 6.865 -3.918 25.264 320 HD2 HIS 42 HD2 HIS 42 8.256 -0.786 22.910 321 HE1 HIS 42 HE1 HIS 42 8.882 -3.010 26.460 322 HE2 HIS 42 HE2 HIS 42 9.531 -0.955 25.148 323 H VAL 43 HN VAL 43 6.473 0.684 22.428 324 HA VAL 43 HA VAL 43 7.106 0.841 19.593 325 HB VAL 43 HB VAL 43 7.751 2.842 21.772 326 1HG1 VAL 43 HG11 VAL 43 9.058 3.100 19.719 327 2HG1 VAL 43 HG12 VAL 43 7.928 4.437 19.936 328 3HG1 VAL 43 HG13 VAL 43 7.569 3.158 18.776 329 1HG2 VAL 43 HG21 VAL 43 5.339 2.448 21.680 330 2HG2 VAL 43 HG22 VAL 43 5.350 2.760 19.944 331 3HG2 VAL 43 HG23 VAL 43 5.747 4.053 21.075 332 H GLY 44 HN GLY 44 9.065 0.428 18.746 333 1HA GLY 44 HA2 GLY 44 11.356 0.248 20.603 334 2HA GLY 44 HA1 GLY 44 11.078 -0.973 19.368 335 H CYS 45 HN CYS 45 13.364 0.884 19.780 336 HA CYS 45 HA CYS 45 13.244 2.799 17.677 337 1HB CYS 45 HB2 CYS 45 15.636 3.105 18.068 338 2HB CYS 45 HB1 CYS 45 14.755 3.094 19.590 339 HG CYS 45 HG CYS 45 17.360 1.399 18.807 340 H CYS 46 HN CYS 46 14.021 2.701 15.644 341 HA CYS 46 HA CYS 46 13.796 0.280 14.270 342 1HB CYS 46 HB2 CYS 46 13.425 2.554 13.329 343 2HB CYS 46 HB1 CYS 46 15.164 2.813 13.352 344 HG CYS 46 HG CYS 46 15.450 2.028 10.947 345 H ASP 47 HN ASP 47 15.491 -0.616 12.773 346 HA ASP 47 HA ASP 47 17.630 -1.546 14.410 347 1HB ASP 47 HB2 ASP 47 18.187 -3.008 12.560 348 2HB ASP 47 HB1 ASP 47 16.444 -2.999 12.795 349 H ASP 48 HN ASP 48 17.323 1.191 12.545 350 HA ASP 48 HA ASP 48 19.884 1.548 11.469 351 1HB ASP 48 HB2 ASP 48 18.048 3.625 12.694 352 2HB ASP 48 HB1 ASP 48 19.450 3.981 11.695 353 H SER 49 HN SER 49 18.589 2.310 14.671 354 HA SER 49 HA SER 49 21.144 3.138 15.704 355 1HB SER 49 HB2 SER 49 19.897 3.216 17.887 356 2HB SER 49 HB1 SER 49 19.158 4.180 16.609 357 HG SER 49 HG SER 49 18.134 1.740 16.447 358 HA PRO 50 HA PRO 50 22.811 -0.816 16.630 359 1HB PRO 50 HB2 PRO 50 24.198 -0.213 18.936 360 2HB PRO 50 HB1 PRO 50 24.770 0.130 17.301 361 1HG PRO 50 HG2 PRO 50 23.424 1.947 19.258 362 2HG PRO 50 HG1 PRO 50 24.785 2.280 18.171 363 1HD PRO 50 HD2 PRO 50 22.306 3.116 17.597 364 2HD PRO 50 HD1 PRO 50 23.408 2.549 16.325 365 H HIS 51 HN HIS 51 20.852 0.830 18.959 366 HA HIS 51 HA HIS 51 20.724 -1.197 20.930 367 1HB HIS 51 HB2 HIS 51 19.984 1.254 21.122 368 2HB HIS 51 HB1 HIS 51 18.502 0.753 20.315 369 HD1 HIS 51 HD1 HIS 51 20.060 1.002 23.584 370 HD2 HIS 51 HD2 HIS 51 17.034 -1.278 21.871 371 HE1 HIS 51 HE1 HIS 51 18.729 0.081 25.510 372 HE2 HIS 51 HE2 HIS 51 17.121 -1.542 24.443 373 H LYS 52 HN LYS 52 18.964 -0.559 17.971 374 HA LYS 52 HA LYS 52 17.324 -1.669 16.838 375 1HB LYS 52 HB2 LYS 52 19.163 -3.909 17.674 376 2HB LYS 52 HB1 LYS 52 17.930 -4.058 16.430 377 1HG LYS 52 HG2 LYS 52 19.029 -2.249 15.168 378 2HG LYS 52 HG1 LYS 52 20.297 -2.202 16.388 379 1HD LYS 52 HD2 LYS 52 19.592 -4.662 14.806 380 2HD LYS 52 HD1 LYS 52 20.841 -3.514 14.322 381 1HE LYS 52 HE2 LYS 52 21.970 -3.908 16.493 382 2HE LYS 52 HE1 LYS 52 20.764 -5.143 16.856 383 1HZ LYS 52 HZ1 LYS 52 22.868 -6.022 15.932 384 2HZ LYS 52 HZ2 LYS 52 22.540 -5.209 14.482 385 3HZ LYS 52 HZ3 LYS 52 21.505 -6.439 15.011 386 H HIS 53 HN HIS 53 16.104 -1.076 19.072 387 HA HIS 53 HA HIS 53 15.304 -3.328 20.639 388 1HB HIS 53 HB2 HIS 53 15.385 -0.922 21.433 389 2HB HIS 53 HB1 HIS 53 13.918 -0.649 20.503 390 HD1 HIS 53 HD1 HIS 53 12.154 -0.381 22.256 391 HD2 HIS 53 HD2 HIS 53 14.619 -3.648 22.993 392 HE1 HIS 53 HE1 HIS 53 11.165 -1.536 24.254 393 HE2 HIS 53 HE2 HIS 53 12.589 -3.586 24.599 394 H ALA 54 HN ALA 54 14.278 -2.014 17.651 395 HA ALA 54 HA ALA 54 11.607 -3.057 17.723 396 1HB ALA 54 HB1 ALA 54 12.197 -1.173 16.278 397 2HB ALA 54 HB2 ALA 54 11.536 -2.518 15.349 398 3HB ALA 54 HB3 ALA 54 13.275 -2.219 15.354 399 H THR 55 HN THR 55 14.687 -4.148 16.325 400 HA THR 55 HA THR 55 13.485 -6.430 15.075 401 HB THR 55 HB THR 55 15.921 -7.066 14.654 402 HG1 THR 55 HG1 THR 55 17.451 -5.522 15.132 403 1HG2 THR 55 HG21 THR 55 14.927 -4.381 13.693 404 2HG2 THR 55 HG22 THR 55 14.547 -5.947 12.975 405 3HG2 THR 55 HG23 THR 55 16.201 -5.336 12.934 406 H ARG 56 HN ARG 56 15.695 -5.961 17.831 407 HA ARG 56 HA ARG 56 15.910 -8.664 18.548 408 1HB ARG 56 HB2 ARG 56 16.113 -6.179 20.258 409 2HB ARG 56 HB1 ARG 56 16.560 -7.791 20.802 410 1HG ARG 56 HG2 ARG 56 18.254 -7.917 19.047 411 2HG ARG 56 HG1 ARG 56 17.806 -6.302 18.500 412 1HD ARG 56 HD2 ARG 56 18.502 -5.356 20.617 413 2HD ARG 56 HD1 ARG 56 18.851 -6.966 21.250 414 HE ARG 56 HE ARG 56 20.378 -6.762 18.983 415 1HH1 ARG 56 HH11 ARG 56 20.085 -4.889 21.935 416 2HH1 ARG 56 HH12 ARG 56 21.746 -4.390 21.924 417 1HH2 ARG 56 HH21 ARG 56 22.570 -6.082 18.985 418 2HH2 ARG 56 HH22 ARG 56 23.141 -5.048 20.261 419 H HIS 57 HN HIS 57 13.502 -6.243 19.288 420 HA HIS 57 HA HIS 57 12.052 -7.634 21.244 421 1HB HIS 57 HB2 HIS 57 11.635 -5.297 20.877 422 2HB HIS 57 HB1 HIS 57 11.195 -5.581 19.199 423 HD1 HIS 57 HD1 HIS 57 9.806 -5.649 22.665 424 HD2 HIS 57 HD2 HIS 57 8.648 -6.631 18.794 425 HE1 HIS 57 HE1 HIS 57 7.285 -5.951 22.719 426 H PHE 58 HN PHE 58 11.755 -7.615 17.696 427 HA PHE 58 HA PHE 58 9.558 -9.363 17.517 428 1HB PHE 58 HB2 PHE 58 10.137 -8.211 15.539 429 2HB PHE 58 HB1 PHE 58 11.816 -8.737 15.625 430 HD1 PHE 58 HD1 PHE 58 8.447 -10.364 15.531 431 HD2 PHE 58 HD2 PHE 58 12.424 -10.268 14.048 432 HE1 PHE 58 HE1 PHE 58 7.937 -12.261 14.052 433 HE2 PHE 58 HE2 PHE 58 11.929 -12.166 12.566 434 HZ PHE 58 HZ PHE 58 9.679 -13.165 12.567 435 H HIS 59 HN HIS 59 13.031 -9.957 17.583 436 HA HIS 59 HA HIS 59 12.983 -12.716 17.138 437 1HB HIS 59 HB2 HIS 59 15.014 -11.339 16.996 438 2HB HIS 59 HB1 HIS 59 14.967 -11.082 18.735 439 HD1 HIS 59 HD1 HIS 59 15.142 -14.077 16.369 440 HD2 HIS 59 HD2 HIS 59 16.575 -12.790 20.059 441 HE1 HIS 59 HE1 HIS 59 16.703 -15.883 17.162 442 HE2 HIS 59 HE2 HIS 59 17.687 -15.003 19.310 443 H ALA 60 HN ALA 60 12.355 -10.860 20.024 444 HA ALA 60 HA ALA 60 12.421 -13.221 21.716 445 1HB ALA 60 HB1 ALA 60 13.287 -11.137 22.609 446 2HB ALA 60 HB2 ALA 60 11.882 -11.666 23.535 447 3HB ALA 60 HB3 ALA 60 11.724 -10.359 22.361 448 H THR 61 HN THR 61 9.990 -10.793 20.746 449 HA THR 61 HA THR 61 7.910 -12.203 22.146 450 HB THR 61 HB THR 61 6.412 -10.441 21.213 451 HG1 THR 61 HG1 THR 61 8.837 -9.370 20.143 452 1HG2 THR 61 HG21 THR 61 8.936 -9.436 22.534 453 2HG2 THR 61 HG22 THR 61 7.542 -10.131 23.362 454 3HG2 THR 61 HG23 THR 61 7.383 -8.600 22.501 455 H GLY 62 HN GLY 62 8.827 -11.777 18.758 456 1HA GLY 62 HA2 GLY 62 8.216 -13.176 16.982 457 2HA GLY 62 HA1 GLY 62 7.009 -13.927 18.018 458 H HIS 63 HN HIS 63 7.422 -10.474 17.418 459 HA HIS 63 HA HIS 63 4.736 -10.442 16.211 460 1HB HIS 63 HB2 HIS 63 6.261 -8.223 17.598 461 2HB HIS 63 HB1 HIS 63 4.689 -8.027 16.830 462 HD2 HIS 63 HD2 HIS 63 3.610 -10.976 18.156 463 HE1 HIS 63 HE1 HIS 63 3.971 -8.714 21.708 464 HE2 HIS 63 HE2 HIS 63 2.774 -10.647 20.586 465 HA PRO 64 HA PRO 64 7.536 -9.789 12.744 466 1HB PRO 64 HB2 PRO 64 5.902 -10.693 10.804 467 2HB PRO 64 HB1 PRO 64 6.735 -11.779 11.921 468 1HG PRO 64 HG2 PRO 64 3.901 -10.821 11.971 469 2HG PRO 64 HG1 PRO 64 4.539 -12.446 12.280 470 1HD PRO 64 HD2 PRO 64 3.844 -10.693 14.259 471 2HD PRO 64 HD1 PRO 64 5.075 -11.955 14.453 472 H ILE 65 HN ILE 65 4.375 -8.358 13.165 473 HA ILE 65 HA ILE 65 4.890 -6.611 10.867 474 HB ILE 65 HB ILE 65 2.303 -7.105 12.336 475 1HG1 ILE 65 HG12 ILE 65 3.250 -7.759 9.536 476 2HG1 ILE 65 HG11 ILE 65 2.969 -8.912 10.834 477 1HG2 ILE 65 HG21 ILE 65 2.365 -4.786 11.685 478 2HG2 ILE 65 HG22 ILE 65 1.302 -5.650 10.573 479 3HG2 ILE 65 HG23 ILE 65 2.936 -5.210 10.071 480 1HD1 ILE 65 HD11 ILE 65 0.588 -8.352 10.797 481 2HD1 ILE 65 HD12 ILE 65 1.156 -8.946 9.237 482 3HD1 ILE 65 HD13 ILE 65 0.884 -7.220 9.478 483 H ILE 66 HN ILE 66 5.653 -4.722 11.178 484 HA ILE 66 HA ILE 66 5.028 -3.254 13.650 485 HB ILE 66 HB ILE 66 7.331 -2.293 13.546 486 1HG1 ILE 66 HG12 ILE 66 7.765 -4.518 11.538 487 2HG1 ILE 66 HG11 ILE 66 7.805 -2.793 11.190 488 1HG2 ILE 66 HG21 ILE 66 7.152 -5.278 13.910 489 2HG2 ILE 66 HG22 ILE 66 6.789 -4.055 15.126 490 3HG2 ILE 66 HG23 ILE 66 8.439 -4.246 14.535 491 1HD1 ILE 66 HD11 ILE 66 10.037 -3.634 11.321 492 2HD1 ILE 66 HD12 ILE 66 9.725 -4.335 12.909 493 3HD1 ILE 66 HD13 ILE 66 9.740 -2.584 12.707 494 H GLU 67 HN GLU 67 4.529 -1.143 13.377 495 HA GLU 67 HA GLU 67 4.456 -0.154 10.615 496 1HB GLU 67 HB2 GLU 67 2.285 -0.290 11.713 497 2HB GLU 67 HB1 GLU 67 2.878 0.664 13.064 498 1HG GLU 67 HG2 GLU 67 3.044 2.615 11.710 499 2HG GLU 67 HG1 GLU 67 2.721 1.692 10.242 500 H GLY 68 HN GLY 68 5.338 1.815 10.080 501 1HA GLY 68 HA2 GLY 68 7.488 2.800 11.658 502 2HA GLY 68 HA1 GLY 68 6.831 3.564 10.215 503 H TYR 69 HN TYR 69 7.232 3.875 13.505 504 HA TYR 69 HA TYR 69 4.703 5.232 13.975 505 1HB TYR 69 HB2 TYR 69 5.672 3.592 15.619 506 2HB TYR 69 HB1 TYR 69 6.943 4.767 15.945 507 HD1 TYR 69 HD1 TYR 69 3.229 4.932 15.576 508 HD2 TYR 69 HD2 TYR 69 6.632 5.854 17.957 509 HE1 TYR 69 HE1 TYR 69 1.771 6.025 17.221 510 HE2 TYR 69 HE2 TYR 69 5.179 6.951 19.613 511 HH TYR 69 HH TYR 69 1.762 6.649 19.529 512 H ASP 70 HN ASP 70 8.149 5.989 13.800 513 HA ASP 70 HA ASP 70 7.696 8.701 14.648 514 1HB ASP 70 HB2 ASP 70 10.005 9.036 14.609 515 2HB ASP 70 HB1 ASP 70 9.833 7.348 15.063 516 HA PRO 71 HA PRO 71 7.978 9.729 10.064 517 1HB PRO 71 HB2 PRO 71 7.742 7.581 8.281 518 2HB PRO 71 HB1 PRO 71 9.235 8.415 8.709 519 1HG PRO 71 HG2 PRO 71 8.560 5.742 9.306 520 2HG PRO 71 HG1 PRO 71 9.943 6.654 9.933 521 1HD PRO 71 HD2 PRO 71 7.312 6.089 11.198 522 2HD PRO 71 HD1 PRO 71 8.908 6.301 11.948 523 HA PRO 72 HA PRO 72 3.474 9.422 10.021 524 1HB PRO 72 HB2 PRO 72 3.642 11.866 8.411 525 2HB PRO 72 HB1 PRO 72 2.919 11.626 10.003 526 1HG PRO 72 HG2 PRO 72 5.179 13.050 9.664 527 2HG PRO 72 HG1 PRO 72 4.892 12.067 11.113 528 1HD PRO 72 HD2 PRO 72 6.548 11.436 8.694 529 2HD PRO 72 HD1 PRO 72 6.923 11.180 10.413 530 H GLU 73 HN GLU 73 4.712 7.743 8.244 531 HA GLU 73 HA GLU 73 3.713 8.438 5.577 532 1HB GLU 73 HB2 GLU 73 5.373 6.051 6.410 533 2HB GLU 73 HB1 GLU 73 5.058 6.597 4.768 534 1HG GLU 73 HG2 GLU 73 6.311 8.642 5.197 535 2HG GLU 73 HG1 GLU 73 6.610 8.115 6.852 536 H GLY 74 HN GLY 74 3.611 5.737 7.901 537 1HA GLY 74 HA2 GLY 74 1.692 4.552 8.543 538 2HA GLY 74 HA1 GLY 74 0.822 5.277 7.199 539 H TRP 75 HN TRP 75 3.107 2.773 8.113 540 HA TRP 75 HA TRP 75 2.082 1.072 6.025 541 1HB TRP 75 HB2 TRP 75 4.422 0.514 5.206 542 2HB TRP 75 HB1 TRP 75 3.774 2.066 4.692 543 HD1 TRP 75 HD1 TRP 75 5.100 4.196 5.334 544 HE1 TRP 75 HE1 TRP 75 7.326 4.643 6.544 545 HE3 TRP 75 HE3 TRP 75 5.941 -0.486 7.220 546 HZ2 TRP 75 HZ2 TRP 75 9.185 3.195 8.098 547 HZ3 TRP 75 HZ3 TRP 75 7.971 -0.868 8.557 548 HH2 TRP 75 HH2 TRP 75 9.558 0.936 8.986 549 H GLY 76 HN GLY 76 2.671 -1.133 6.294 550 1HA GLY 76 HA2 GLY 76 3.705 -1.711 9.001 551 2HA GLY 76 HA1 GLY 76 2.434 -2.644 8.222 552 H TRP 77 HN TRP 77 5.565 -2.729 9.046 553 HA TRP 77 HA TRP 77 6.474 -4.168 6.663 554 1HB TRP 77 HB2 TRP 77 8.067 -2.579 7.577 555 2HB TRP 77 HB1 TRP 77 7.928 -3.303 9.175 556 HD1 TRP 77 HD1 TRP 77 9.560 -5.233 9.740 557 HE1 TRP 77 HE1 TRP 77 11.365 -6.525 8.434 558 HE3 TRP 77 HE3 TRP 77 8.578 -3.476 5.043 559 HZ2 TRP 77 HZ2 TRP 77 12.254 -6.765 5.768 560 HZ3 TRP 77 HZ3 TRP 77 9.951 -4.286 3.170 561 HH2 TRP 77 HH2 TRP 77 11.751 -5.897 3.527 562 H CYS 78 HN CYS 78 6.588 -6.333 6.597 563 HA CYS 78 HA CYS 78 5.983 -7.770 9.099 564 1HB CYS 78 HB2 CYS 78 4.403 -7.869 7.011 565 2HB CYS 78 HB1 CYS 78 5.609 -8.977 6.380 566 H TYR 79 HN TYR 79 7.878 -8.381 9.920 567 HA TYR 79 HA TYR 79 10.326 -8.534 8.771 568 1HB TYR 79 HB2 TYR 79 9.158 -10.065 11.068 569 2HB TYR 79 HB1 TYR 79 10.824 -10.329 10.574 570 HD1 TYR 79 HD1 TYR 79 12.309 -8.187 10.413 571 HD2 TYR 79 HD2 TYR 79 8.685 -8.411 12.633 572 HE1 TYR 79 HE1 TYR 79 13.049 -6.299 11.803 573 HE2 TYR 79 HE2 TYR 79 9.411 -6.519 14.019 574 HH TYR 79 HH TYR 79 11.534 -5.454 14.707 575 H VAL 80 HN VAL 80 8.437 -11.508 9.390 576 HA VAL 80 HA VAL 80 10.297 -13.138 8.030 577 HB VAL 80 HB VAL 80 8.595 -14.935 8.229 578 1HG1 VAL 80 HG11 VAL 80 9.045 -13.307 10.727 579 2HG1 VAL 80 HG12 VAL 80 10.168 -14.478 10.038 580 3HG1 VAL 80 HG13 VAL 80 8.612 -15.015 10.672 581 1HG2 VAL 80 HG21 VAL 80 6.579 -13.588 7.943 582 2HG2 VAL 80 HG22 VAL 80 6.901 -12.768 9.470 583 3HG2 VAL 80 HG23 VAL 80 6.524 -14.491 9.457 584 H ASP 81 HN ASP 81 7.611 -11.315 6.875 585 HA ASP 81 HA ASP 81 7.350 -12.843 4.417 586 1HB ASP 81 HB2 ASP 81 6.124 -10.181 5.173 587 2HB ASP 81 HB1 ASP 81 5.714 -11.131 3.755 588 H GLU 82 HN GLU 82 8.828 -9.941 5.618 589 HA GLU 82 HA GLU 82 10.360 -8.505 4.791 590 1HB GLU 82 HB2 GLU 82 10.618 -10.532 2.561 591 2HB GLU 82 HB1 GLU 82 11.698 -9.165 2.811 592 1HG GLU 82 HG2 GLU 82 12.319 -10.063 5.002 593 2HG GLU 82 HG1 GLU 82 11.259 -11.446 4.727 594 H VAL 83 HN VAL 83 7.519 -8.429 4.120 595 HA VAL 83 HA VAL 83 7.671 -6.748 1.711 596 HB VAL 83 HB VAL 83 5.310 -7.182 1.306 597 1HG1 VAL 83 HG11 VAL 83 6.933 -8.667 0.270 598 2HG1 VAL 83 HG12 VAL 83 5.446 -9.534 0.655 599 3HG1 VAL 83 HG13 VAL 83 6.872 -9.733 1.674 600 1HG2 VAL 83 HG21 VAL 83 4.074 -8.866 2.594 601 2HG2 VAL 83 HG22 VAL 83 4.563 -7.504 3.603 602 3HG2 VAL 83 HG23 VAL 83 5.446 -9.028 3.692 603 H MET 84 HN MET 84 6.423 -4.824 1.717 604 HA MET 84 HA MET 84 5.615 -3.895 4.394 605 1HB MET 84 HB2 MET 84 7.679 -2.780 3.664 606 2HB MET 84 HB1 MET 84 6.892 -2.283 2.173 607 1HG MET 84 HG2 MET 84 5.297 -0.948 3.483 608 2HG MET 84 HG1 MET 84 6.150 -1.408 4.955 609 1HE MET 84 HE1 MET 84 9.169 -1.382 4.026 610 2HE MET 84 HE2 MET 84 8.633 -0.640 5.534 611 3HE MET 84 HE3 MET 84 9.650 0.269 4.416 612 H PHE 85 HN PHE 85 3.473 -3.718 4.442 613 HA PHE 85 HA PHE 85 2.090 -2.926 1.975 614 1HB PHE 85 HB2 PHE 85 0.030 -3.810 3.101 615 2HB PHE 85 HB1 PHE 85 1.258 -5.025 2.775 616 HD1 PHE 85 HD1 PHE 85 -0.596 -3.235 5.333 617 HD2 PHE 85 HD2 PHE 85 2.551 -6.005 4.609 618 HE1 PHE 85 HE1 PHE 85 -0.670 -3.932 7.688 619 HE2 PHE 85 HE2 PHE 85 2.483 -6.703 6.968 620 HZ PHE 85 HZ PHE 85 0.876 -5.660 8.511 621 H ASP 86 HN ASP 86 0.228 -1.458 2.227 622 HA ASP 86 HA ASP 86 1.124 0.812 3.773 623 1HB ASP 86 HB2 ASP 86 0.327 1.066 1.436 624 2HB ASP 86 HB1 ASP 86 -1.280 0.564 1.951 625 H LEU 87 HN LEU 87 0.225 1.644 5.558 626 HA LEU 87 HA LEU 87 -2.382 0.619 6.450 627 1HB LEU 87 HB2 LEU 87 0.155 0.818 8.058 628 2HB LEU 87 HB1 LEU 87 -1.422 0.793 8.819 629 HG LEU 87 HG LEU 87 -0.267 -1.404 7.101 630 1HD1 LEU 87 HD11 LEU 87 -0.181 -2.662 9.201 631 2HD1 LEU 87 HD12 LEU 87 -0.727 -1.233 10.077 632 3HD1 LEU 87 HD13 LEU 87 0.837 -1.223 9.263 633 1HD2 LEU 87 HD21 LEU 87 -2.854 -1.259 8.649 634 2HD2 LEU 87 HD22 LEU 87 -2.227 -2.687 7.826 635 3HD2 LEU 87 HD23 LEU 87 -2.693 -1.264 6.893 636 H SER 88 HN SER 88 -1.272 3.147 5.183 637 HA SER 88 HA SER 88 -0.987 5.161 7.123 638 1HB SER 88 HB2 SER 88 -1.349 6.730 5.206 639 2HB SER 88 HB1 SER 88 -0.136 5.489 4.892 640 HG SER 88 HG SER 88 -1.656 4.346 3.679 641 H ASP 89 HN ASP 89 -3.818 3.791 5.639 642 HA ASP 89 HA ASP 89 -5.547 5.953 6.468 643 1HB ASP 89 HB2 ASP 89 -6.175 3.259 5.245 644 2HB ASP 89 HB1 ASP 89 -7.369 4.509 5.573 645 H ARG 90 HN ARG 90 -4.126 3.441 8.074 646 HA ARG 90 HA ARG 90 -6.227 3.437 10.131 647 1HB ARG 90 HB2 ARG 90 -4.775 0.926 9.276 648 2HB ARG 90 HB1 ARG 90 -6.090 1.052 10.434 649 1HG ARG 90 HG2 ARG 90 -7.616 1.679 8.630 650 2HG ARG 90 HG1 ARG 90 -6.292 1.546 7.471 651 1HD ARG 90 HD2 ARG 90 -6.022 -0.839 8.205 652 2HD ARG 90 HD1 ARG 90 -7.510 -0.651 9.131 653 HE ARG 90 HE ARG 90 -7.509 -0.127 6.238 654 1HH1 ARG 90 HH11 ARG 90 -8.625 -2.002 8.985 655 2HH1 ARG 90 HH12 ARG 90 -9.832 -2.854 8.061 656 1HH2 ARG 90 HH21 ARG 90 -9.098 -1.221 5.045 657 2HH2 ARG 90 HH22 ARG 90 -10.114 -2.393 5.826 658 H MET 91 HN MET 91 -3.562 4.715 9.788 659 HA MET 91 HA MET 91 -1.536 3.222 11.046 660 1HB MET 91 HB2 MET 91 -0.254 5.283 11.092 661 2HB MET 91 HB1 MET 91 -1.073 5.109 9.547 662 1HG MET 91 HG2 MET 91 -2.749 6.715 10.210 663 2HG MET 91 HG1 MET 91 -2.039 6.828 11.820 664 1HE MET 91 HE1 MET 91 1.063 6.774 11.179 665 2HE MET 91 HE2 MET 91 0.339 7.906 12.321 666 3HE MET 91 HE3 MET 91 1.423 8.496 11.061 667 H THR 92 HN THR 92 -0.520 3.480 13.047 668 HA THR 92 HA THR 92 -2.256 3.770 15.275 669 HB THR 92 HB THR 92 0.772 3.723 15.286 670 HG1 THR 92 HG1 THR 92 0.108 1.894 14.207 671 1HG2 THR 92 HG21 THR 92 -1.249 2.909 17.380 672 2HG2 THR 92 HG22 THR 92 -0.236 4.351 17.429 673 3HG2 THR 92 HG23 THR 92 0.502 2.752 17.520 674 HA PRO 93 HA PRO 93 -2.008 8.218 15.590 675 1HB PRO 93 HB2 PRO 93 -3.214 8.409 18.038 676 2HB PRO 93 HB1 PRO 93 -4.096 8.201 16.522 677 1HG PRO 93 HG2 PRO 93 -3.343 6.158 18.571 678 2HG PRO 93 HG1 PRO 93 -4.862 6.340 17.675 679 1HD PRO 93 HD2 PRO 93 -3.003 4.507 16.993 680 2HD PRO 93 HD1 PRO 93 -4.015 5.322 15.783 681 H HIS 94 HN HIS 94 -0.602 9.632 16.472 682 HA HIS 94 HA HIS 94 1.542 8.649 18.071 683 1HB HIS 94 HB2 HIS 94 0.792 11.422 17.147 684 2HB HIS 94 HB1 HIS 94 2.204 11.111 18.152 685 HD1 HIS 94 HD1 HIS 94 1.462 11.671 14.773 686 HD2 HIS 94 HD2 HIS 94 3.777 8.840 16.760 687 HE1 HIS 94 HE1 HIS 94 3.080 10.789 13.060 688 HE2 HIS 94 HE2 HIS 94 4.538 9.153 14.311 689 H ASN 95 HN ASN 95 1.737 8.537 20.176 690 HA ASN 95 HA ASN 95 -0.476 9.173 21.868 691 1HB ASN 95 HB2 ASN 95 0.985 7.188 22.184 692 2HB ASN 95 HB1 ASN 95 2.312 8.259 22.613 693 1HD2 ASN 95 HD21 ASN 95 2.526 7.356 24.636 694 2HD2 ASN 95 HD22 ASN 95 1.389 7.647 25.910 695 H GLY 96 HN GLY 96 2.547 10.709 21.077 696 1HA GLY 96 HA2 GLY 96 1.727 13.161 22.270 697 2HA GLY 96 HA1 GLY 96 2.975 12.376 23.229 698 HA PRO 97 HA PRO 97 5.031 14.849 19.822 699 1HB PRO 97 HB2 PRO 97 6.371 16.266 21.994 700 2HB PRO 97 HB1 PRO 97 5.420 16.921 20.660 701 1HG PRO 97 HG2 PRO 97 4.560 16.970 23.226 702 2HG PRO 97 HG1 PRO 97 3.455 16.845 21.846 703 1HD PRO 97 HD2 PRO 97 4.444 14.695 23.684 704 2HD PRO 97 HD1 PRO 97 2.813 14.954 23.026 705 H ILE 98 HN ILE 98 6.551 13.508 19.087 706 HA ILE 98 HA ILE 98 8.288 12.099 20.949 707 HB ILE 98 HB ILE 98 8.066 11.817 17.949 708 1HG1 ILE 98 HG12 ILE 98 6.824 10.149 20.148 709 2HG1 ILE 98 HG11 ILE 98 5.957 11.280 19.114 710 1HG2 ILE 98 HG21 ILE 98 9.185 9.653 18.317 711 2HG2 ILE 98 HG22 ILE 98 9.378 10.065 20.021 712 3HG2 ILE 98 HG23 ILE 98 10.191 11.023 18.785 713 1HD1 ILE 98 HD11 ILE 98 5.629 9.008 18.365 714 2HD1 ILE 98 HD12 ILE 98 7.372 8.781 18.221 715 3HD1 ILE 98 HD13 ILE 98 6.540 9.922 17.163 716 HA PRO 99 HA PRO 99 11.690 14.936 20.159 717 1HB PRO 99 HB2 PRO 99 13.280 12.828 21.460 718 2HB PRO 99 HB1 PRO 99 13.059 14.515 21.930 719 1HG PRO 99 HG2 PRO 99 11.954 12.494 23.319 720 2HG PRO 99 HG1 PRO 99 11.155 14.066 23.147 721 1HD PRO 99 HD2 PRO 99 10.612 11.495 21.718 722 2HD PRO 99 HD1 PRO 99 9.469 12.712 22.324 723 H ARG 100 HN ARG 100 12.661 15.011 18.239 724 HA ARG 100 HA ARG 100 13.399 12.476 16.942 725 1HB ARG 100 HB2 ARG 100 11.884 14.475 15.936 726 2HB ARG 100 HB1 ARG 100 13.473 15.014 15.412 727 1HG ARG 100 HG2 ARG 100 12.792 13.763 13.616 728 2HG ARG 100 HG1 ARG 100 13.709 12.570 14.542 729 1HD ARG 100 HD2 ARG 100 11.653 11.714 15.516 730 2HD ARG 100 HD1 ARG 100 10.717 12.943 14.668 731 HE ARG 100 HE ARG 100 11.581 10.452 13.632 732 1HH1 ARG 100 HH11 ARG 100 11.138 13.806 12.662 733 2HH1 ARG 100 HH12 ARG 100 10.805 13.400 11.010 734 1HH2 ARG 100 HH21 ARG 100 11.109 9.930 11.493 735 2HH2 ARG 100 HH22 ARG 100 10.805 11.199 10.333 736 H TYR 101 HN TYR 101 15.474 11.978 17.248 737 HA TYR 101 HA TYR 101 17.394 14.029 17.899 738 1HB TYR 101 HB2 TYR 101 17.723 11.035 17.602 739 2HB TYR 101 HB1 TYR 101 18.958 12.136 18.206 740 HD1 TYR 101 HD1 TYR 101 18.639 13.277 20.383 741 HD2 TYR 101 HD2 TYR 101 15.920 10.311 19.000 742 HE1 TYR 101 HE1 TYR 101 17.749 13.040 22.663 743 HE2 TYR 101 HE2 TYR 101 15.022 10.066 21.275 744 HH TYR 101 HH TYR 101 15.708 12.275 23.778 745 H VAL 102 HN VAL 102 16.276 12.549 15.090 746 HA VAL 102 HA VAL 102 18.570 13.630 13.625 747 HB VAL 102 HB VAL 102 18.094 11.815 11.878 748 1HG1 VAL 102 HG11 VAL 102 20.099 11.850 13.269 749 2HG1 VAL 102 HG12 VAL 102 19.531 10.198 13.026 750 3HG1 VAL 102 HG13 VAL 102 19.230 11.018 14.559 751 1HG2 VAL 102 HG21 VAL 102 16.755 10.537 14.265 752 2HG2 VAL 102 HG22 VAL 102 17.134 9.732 12.742 753 3HG2 VAL 102 HG23 VAL 102 15.957 11.045 12.776 Start of MODEL 13 1 1H MET 1 HT1 MET 1 6.990 0.469 -0.342 2 2H MET 1 HT2 MET 1 6.653 0.172 -1.978 3 3H MET 1 HT3 MET 1 7.600 -0.921 -1.096 4 HA MET 1 HA MET 1 5.779 -1.541 0.268 5 1HB MET 1 HB2 MET 1 3.531 -0.657 -0.114 6 2HB MET 1 HB1 MET 1 4.639 0.633 0.328 7 1HG MET 1 HG2 MET 1 4.790 1.334 -1.985 8 2HG MET 1 HG1 MET 1 3.748 -0.001 -2.476 9 1HE MET 1 HE1 MET 1 2.185 1.730 -3.759 10 2HE MET 1 HE2 MET 1 3.218 3.064 -3.245 11 3HE MET 1 HE3 MET 1 1.474 3.154 -2.999 12 H THR 2 HN THR 2 4.691 -3.373 -0.319 13 HA THR 2 HA THR 2 4.682 -3.953 -3.209 14 HB THR 2 HB THR 2 5.252 -5.959 -1.019 15 HG1 THR 2 HG1 THR 2 7.105 -4.782 -2.847 16 1HG2 THR 2 HG21 THR 2 5.567 -6.125 -4.019 17 2HG2 THR 2 HG22 THR 2 4.306 -6.914 -3.072 18 3HG2 THR 2 HG23 THR 2 5.992 -7.387 -2.862 19 H MET 3 HN MET 3 3.542 -5.823 -0.414 20 HA MET 3 HA MET 3 0.795 -5.634 -1.393 21 1HB MET 3 HB2 MET 3 2.333 -8.214 -1.050 22 2HB MET 3 HB1 MET 3 0.584 -8.135 -1.184 23 1HG MET 3 HG2 MET 3 0.777 -7.191 -3.411 24 2HG MET 3 HG1 MET 3 2.535 -7.202 -3.276 25 1HE MET 3 HE1 MET 3 -0.014 -11.049 -3.298 26 2HE MET 3 HE2 MET 3 -0.703 -9.426 -3.349 27 3HE MET 3 HE3 MET 3 0.129 -9.986 -1.898 28 H GLY 4 HN GLY 4 -0.738 -6.711 0.128 29 1HA GLY 4 HA2 GLY 4 -0.054 -6.132 2.873 30 2HA GLY 4 HA1 GLY 4 -1.590 -6.757 2.284 31 H CYS 5 HN CYS 5 -1.316 -8.104 4.300 32 HA CYS 5 HA CYS 5 -0.369 -10.690 3.520 33 1HB CYS 5 HB2 CYS 5 1.752 -9.714 4.207 34 2HB CYS 5 HB1 CYS 5 1.056 -9.229 5.750 35 H ARG 6 HN ARG 6 -1.226 -12.337 4.738 36 HA ARG 6 HA ARG 6 -3.628 -11.940 6.058 37 1HB ARG 6 HB2 ARG 6 -3.388 -14.299 6.811 38 2HB ARG 6 HB1 ARG 6 -3.088 -14.069 5.094 39 1HG ARG 6 HG2 ARG 6 -0.658 -14.086 5.560 40 2HG ARG 6 HG1 ARG 6 -1.020 -14.441 7.250 41 1HD ARG 6 HD2 ARG 6 -0.450 -16.458 5.952 42 2HD ARG 6 HD1 ARG 6 -2.078 -16.519 6.626 43 HE ARG 6 HE ARG 6 -2.920 -16.001 4.404 44 1HH1 ARG 6 HH11 ARG 6 0.414 -17.042 4.623 45 2HH1 ARG 6 HH12 ARG 6 0.471 -17.620 2.983 46 1HH2 ARG 6 HH21 ARG 6 -2.854 -16.761 2.256 47 2HH2 ARG 6 HH22 ARG 6 -1.380 -17.457 1.642 48 H HIS 7 HN HIS 7 -0.402 -11.917 7.382 49 HA HIS 7 HA HIS 7 -0.948 -12.236 10.092 50 1HB HIS 7 HB2 HIS 7 1.172 -10.663 8.650 51 2HB HIS 7 HB1 HIS 7 1.073 -10.660 10.406 52 HD2 HIS 7 HD2 HIS 7 0.629 -13.793 10.993 53 HE1 HIS 7 HE1 HIS 7 4.132 -14.298 8.673 54 HE2 HIS 7 HE2 HIS 7 2.716 -15.271 10.543 55 H VAL 8 HN VAL 8 -1.720 -9.618 7.986 56 HA VAL 8 HA VAL 8 -1.898 -7.500 9.815 57 HB VAL 8 HB VAL 8 -2.386 -7.835 7.088 58 1HG1 VAL 8 HG11 VAL 8 -4.867 -6.708 8.370 59 2HG1 VAL 8 HG12 VAL 8 -4.761 -8.291 7.597 60 3HG1 VAL 8 HG13 VAL 8 -4.524 -6.825 6.643 61 1HG2 VAL 8 HG21 VAL 8 -1.247 -5.963 8.146 62 2HG2 VAL 8 HG22 VAL 8 -2.782 -5.387 8.797 63 3HG2 VAL 8 HG23 VAL 8 -2.513 -5.403 7.055 64 H ALA 9 HN ALA 9 -4.055 -10.186 9.189 65 HA ALA 9 HA ALA 9 -6.324 -9.101 10.525 66 1HB ALA 9 HB1 ALA 9 -6.496 -10.944 8.922 67 2HB ALA 9 HB2 ALA 9 -7.199 -11.369 10.482 68 3HB ALA 9 HB3 ALA 9 -5.611 -11.989 10.032 69 H GLY 10 HN GLY 10 -3.346 -10.118 11.676 70 1HA GLY 10 HA2 GLY 10 -4.396 -10.963 14.278 71 2HA GLY 10 HA1 GLY 10 -2.733 -11.122 13.733 72 H ILE 11 HN ILE 11 -3.317 -8.147 12.760 73 HA ILE 11 HA ILE 11 -2.361 -6.992 15.283 74 HB ILE 11 HB ILE 11 -1.538 -5.103 13.980 75 1HG1 ILE 11 HG12 ILE 11 -2.492 -6.627 11.547 76 2HG1 ILE 11 HG11 ILE 11 -3.292 -5.207 12.210 77 1HG2 ILE 11 HG21 ILE 11 -0.697 -7.786 12.894 78 2HG2 ILE 11 HG22 ILE 11 -0.058 -6.982 14.328 79 3HG2 ILE 11 HG23 ILE 11 0.223 -6.291 12.730 80 1HD1 ILE 11 HD11 ILE 11 -1.949 -4.628 10.293 81 2HD1 ILE 11 HD12 ILE 11 -0.516 -5.309 11.063 82 3HD1 ILE 11 HD13 ILE 11 -1.290 -3.881 11.749 83 H ARG 12 HN ARG 12 -3.220 -5.066 16.089 84 HA ARG 12 HA ARG 12 -5.771 -4.184 14.929 85 1HB ARG 12 HB2 ARG 12 -6.722 -4.028 17.215 86 2HB ARG 12 HB1 ARG 12 -6.362 -5.680 16.736 87 1HG ARG 12 HG2 ARG 12 -4.277 -5.579 18.039 88 2HG ARG 12 HG1 ARG 12 -4.706 -3.949 18.561 89 1HD ARG 12 HD2 ARG 12 -5.294 -5.585 20.264 90 2HD ARG 12 HD1 ARG 12 -6.740 -4.820 19.605 91 HE ARG 12 HE ARG 12 -6.928 -6.897 18.187 92 1HH1 ARG 12 HH11 ARG 12 -5.417 -6.901 21.349 93 2HH1 ARG 12 HH12 ARG 12 -5.692 -8.601 21.618 94 1HH2 ARG 12 HH21 ARG 12 -7.320 -9.122 18.550 95 2HH2 ARG 12 HH22 ARG 12 -6.798 -9.851 20.043 96 H THR 13 HN THR 13 -6.486 -2.107 16.286 97 HA THR 13 HA THR 13 -4.286 -0.243 16.181 98 HB THR 13 HB THR 13 -7.102 0.248 17.176 99 HG1 THR 13 HG1 THR 13 -7.537 0.902 15.045 100 1HG2 THR 13 HG21 THR 13 -5.498 1.979 17.815 101 2HG2 THR 13 HG22 THR 13 -6.615 2.586 16.592 102 3HG2 THR 13 HG23 THR 13 -4.974 2.127 16.138 103 H VAL 14 HN VAL 14 -2.859 -0.317 17.774 104 HA VAL 14 HA VAL 14 -3.729 -1.209 20.419 105 HB VAL 14 HB VAL 14 -1.277 -1.555 20.823 106 1HG1 VAL 14 HG11 VAL 14 -2.707 -3.403 20.175 107 2HG1 VAL 14 HG12 VAL 14 -1.126 -3.564 19.409 108 3HG1 VAL 14 HG13 VAL 14 -2.507 -2.991 18.472 109 1HG2 VAL 14 HG21 VAL 14 -0.415 0.041 19.188 110 2HG2 VAL 14 HG22 VAL 14 -1.086 -0.926 17.874 111 3HG2 VAL 14 HG23 VAL 14 0.214 -1.577 18.872 112 H THR 15 HN THR 15 -2.380 -0.319 22.262 113 HA THR 15 HA THR 15 -2.293 2.609 22.068 114 HB THR 15 HB THR 15 -2.306 0.875 24.553 115 HG1 THR 15 HG1 THR 15 -4.509 2.449 23.794 116 1HG2 THR 15 HG21 THR 15 -1.316 3.080 24.908 117 2HG2 THR 15 HG22 THR 15 -2.882 2.965 25.710 118 3HG2 THR 15 HG23 THR 15 -2.733 3.844 24.188 119 HA PRO 16 HA PRO 16 2.159 2.239 21.965 120 1HB PRO 16 HB2 PRO 16 2.038 5.081 22.786 121 2HB PRO 16 HB1 PRO 16 2.821 4.347 21.383 122 1HG PRO 16 HG2 PRO 16 0.579 5.770 21.115 123 2HG PRO 16 HG1 PRO 16 0.865 4.315 20.141 124 1HD PRO 16 HD2 PRO 16 -0.862 4.671 22.559 125 2HD PRO 16 HD1 PRO 16 -1.177 3.747 21.075 126 H SER 17 HN SER 17 3.034 1.182 23.607 127 HA SER 17 HA SER 17 2.612 1.537 26.330 128 1HB SER 17 HB2 SER 17 3.633 -0.473 25.399 129 2HB SER 17 HB1 SER 17 5.038 0.450 24.875 130 HG SER 17 HG SER 17 4.204 -0.010 27.557 131 H ALA 18 HN ALA 18 4.987 3.025 24.196 132 HA ALA 18 HA ALA 18 5.600 4.963 26.305 133 1HB ALA 18 HB1 ALA 18 7.967 4.914 25.717 134 2HB ALA 18 HB2 ALA 18 7.660 3.652 24.525 135 3HB ALA 18 HB3 ALA 18 7.428 3.318 26.241 136 H LEU 19 HN LEU 19 6.705 6.926 25.352 137 HA LEU 19 HA LEU 19 5.224 7.803 23.035 138 1HB LEU 19 HB2 LEU 19 7.454 9.237 24.487 139 2HB LEU 19 HB1 LEU 19 6.272 9.953 23.409 140 HG LEU 19 HG LEU 19 5.730 8.794 26.143 141 1HD1 LEU 19 HD11 LEU 19 6.836 10.946 26.226 142 2HD1 LEU 19 HD12 LEU 19 5.148 11.111 26.711 143 3HD1 LEU 19 HD13 LEU 19 5.658 11.621 25.101 144 1HD2 LEU 19 HD21 LEU 19 3.438 9.619 25.817 145 2HD2 LEU 19 HD22 LEU 19 3.857 8.345 24.672 146 3HD2 LEU 19 HD23 LEU 19 3.835 10.029 24.148 147 H GLY 20 HN GLY 20 8.527 7.006 23.856 148 1HA GLY 20 HA2 GLY 20 9.119 6.776 20.981 149 2HA GLY 20 HA1 GLY 20 10.301 7.417 22.119 150 H CYS 21 HN CYS 21 11.793 5.737 21.642 151 HA CYS 21 HA CYS 21 10.999 3.019 22.183 152 1HB CYS 21 HB2 CYS 21 13.472 2.555 21.874 153 2HB CYS 21 HB1 CYS 21 12.637 3.228 20.483 154 HG CYS 21 HG CYS 21 13.835 5.584 20.426 155 H GLU 22 HN GLU 22 10.524 2.591 24.200 156 HA GLU 22 HA GLU 22 11.415 3.855 26.494 157 1HB GLU 22 HB2 GLU 22 10.487 1.995 27.723 158 2HB GLU 22 HB1 GLU 22 9.443 2.368 26.362 159 1HG GLU 22 HG2 GLU 22 11.391 0.079 26.557 160 2HG GLU 22 HG1 GLU 22 9.635 -0.017 26.649 161 H GLU 23 HN GLU 23 12.854 1.209 24.717 162 HA GLU 23 HA GLU 23 14.778 0.341 26.520 163 1HB GLU 23 HB2 GLU 23 14.283 -0.684 24.310 164 2HB GLU 23 HB1 GLU 23 15.094 0.666 23.530 165 1HG GLU 23 HG2 GLU 23 16.516 -1.304 23.647 166 2HG GLU 23 HG1 GLU 23 17.190 0.041 24.566 167 H CYS 24 HN CYS 24 15.189 2.837 23.997 168 HA CYS 24 HA CYS 24 17.736 3.626 24.978 169 1HB CYS 24 HB2 CYS 24 15.819 4.992 23.083 170 2HB CYS 24 HB1 CYS 24 17.465 5.528 23.383 171 HG CYS 24 HG CYS 24 18.454 4.137 21.479 172 H LEU 25 HN LEU 25 14.452 4.637 25.589 173 HA LEU 25 HA LEU 25 15.082 7.111 26.840 174 1HB LEU 25 HB2 LEU 25 12.632 5.374 26.831 175 2HB LEU 25 HB1 LEU 25 12.715 6.853 27.771 176 HG LEU 25 HG LEU 25 13.061 6.696 24.774 177 1HD1 LEU 25 HD11 LEU 25 10.716 7.622 26.429 178 2HD1 LEU 25 HD12 LEU 25 10.778 6.161 25.443 179 3HD1 LEU 25 HD13 LEU 25 10.855 7.747 24.676 180 1HD2 LEU 25 HD21 LEU 25 12.801 9.061 26.632 181 2HD2 LEU 25 HD22 LEU 25 12.906 9.129 24.872 182 3HD2 LEU 25 HD23 LEU 25 14.278 8.547 25.815 183 H LYS 26 HN LYS 26 15.361 3.876 27.949 184 HA LYS 26 HA LYS 26 14.830 4.472 30.712 185 1HB LYS 26 HB2 LYS 26 15.409 2.241 31.190 186 2HB LYS 26 HB1 LYS 26 14.641 2.179 29.611 187 1HG LYS 26 HG2 LYS 26 16.982 2.240 28.633 188 2HG LYS 26 HG1 LYS 26 17.557 1.932 30.273 189 1HD LYS 26 HD2 LYS 26 15.655 0.194 28.705 190 2HD LYS 26 HD1 LYS 26 17.363 -0.139 28.995 191 1HE LYS 26 HE2 LYS 26 16.959 -0.296 31.378 192 2HE LYS 26 HE1 LYS 26 15.268 0.145 31.146 193 1HZ LYS 26 HZ1 LYS 26 16.528 -2.275 29.977 194 2HZ LYS 26 HZ2 LYS 26 14.880 -1.880 29.971 195 3HZ LYS 26 HZ3 LYS 26 15.655 -2.266 31.430 196 H ILE 27 HN ILE 27 17.467 4.901 28.606 197 HA ILE 27 HA ILE 27 19.213 5.476 30.908 198 HB ILE 27 HB ILE 27 21.148 4.979 29.419 199 1HG1 ILE 27 HG12 ILE 27 18.977 3.921 27.596 200 2HG1 ILE 27 HG11 ILE 27 20.099 5.231 27.249 201 1HG2 ILE 27 HG21 ILE 27 20.389 3.358 31.058 202 2HG2 ILE 27 HG22 ILE 27 20.957 2.541 29.602 203 3HG2 ILE 27 HG23 ILE 27 19.227 2.707 29.902 204 1HD1 ILE 27 HD11 ILE 27 20.767 3.232 26.094 205 2HD1 ILE 27 HD12 ILE 27 20.796 2.328 27.607 206 3HD1 ILE 27 HD13 ILE 27 21.956 3.628 27.333 207 H GLY 28 HN GLY 28 17.484 6.812 28.442 208 1HA GLY 28 HA2 GLY 28 17.345 9.052 27.862 209 2HA GLY 28 HA1 GLY 28 18.827 9.345 28.757 210 H SER 29 HN SER 29 18.681 6.864 26.318 211 HA SER 29 HA SER 29 20.653 8.349 24.767 212 1HB SER 29 HB2 SER 29 19.695 5.483 24.614 213 2HB SER 29 HB1 SER 29 20.886 6.179 23.519 214 HG SER 29 HG SER 29 21.452 6.623 26.168 215 HA PRO 30 HA PRO 30 17.740 9.553 21.680 216 1HB PRO 30 HB2 PRO 30 19.384 9.921 19.570 217 2HB PRO 30 HB1 PRO 30 19.378 11.006 20.966 218 1HG PRO 30 HG2 PRO 30 21.252 8.764 20.318 219 2HG PRO 30 HG1 PRO 30 21.619 10.383 20.943 220 1HD PRO 30 HD2 PRO 30 21.503 8.173 22.524 221 2HD PRO 30 HD1 PRO 30 21.101 9.801 23.104 222 H TRP 31 HN TRP 31 17.191 9.064 19.306 223 HA TRP 31 HA TRP 31 17.765 6.309 18.554 224 1HB TRP 31 HB2 TRP 31 15.369 5.834 18.171 225 2HB TRP 31 HB1 TRP 31 15.726 6.118 19.869 226 HD1 TRP 31 HD1 TRP 31 14.204 8.019 16.846 227 HE1 TRP 31 HE1 TRP 31 12.455 9.674 17.751 228 HE3 TRP 31 HE3 TRP 31 14.891 7.274 21.856 229 HZ2 TRP 31 HZ2 TRP 31 11.487 10.540 20.250 230 HZ3 TRP 31 HZ3 TRP 31 13.508 8.553 23.435 231 HH2 TRP 31 HH2 TRP 31 11.841 10.153 22.649 232 H VAL 32 HN VAL 32 16.963 5.829 16.350 233 HA VAL 32 HA VAL 32 17.158 8.209 14.650 234 HB VAL 32 HB VAL 32 17.375 5.310 13.815 235 1HG1 VAL 32 HG11 VAL 32 16.746 6.805 12.006 236 2HG1 VAL 32 HG12 VAL 32 18.401 6.237 11.784 237 3HG1 VAL 32 HG13 VAL 32 18.101 7.867 12.386 238 1HG2 VAL 32 HG21 VAL 32 19.176 5.825 15.354 239 2HG2 VAL 32 HG22 VAL 32 19.570 7.284 14.445 240 3HG2 VAL 32 HG23 VAL 32 19.807 5.698 13.711 241 H HIS 33 HN HIS 33 15.375 5.125 14.786 242 HA HIS 33 HA HIS 33 12.970 6.543 13.909 243 1HB HIS 33 HB2 HIS 33 14.059 4.005 12.680 244 2HB HIS 33 HB1 HIS 33 12.396 4.538 12.470 245 HD1 HIS 33 HD1 HIS 33 15.388 4.524 10.669 246 HD2 HIS 33 HD2 HIS 33 12.562 7.478 11.469 247 HE1 HIS 33 HE1 HIS 33 15.693 6.269 8.879 248 HE2 HIS 33 HE2 HIS 33 14.108 8.130 9.499 249 H LEU 34 HN LEU 34 10.989 5.400 14.385 250 HA LEU 34 HA LEU 34 11.278 3.589 16.707 251 1HB LEU 34 HB2 LEU 34 9.238 5.779 16.302 252 2HB LEU 34 HB1 LEU 34 9.266 4.658 17.649 253 HG LEU 34 HG LEU 34 11.409 6.694 17.040 254 1HD1 LEU 34 HD11 LEU 34 10.566 7.827 19.045 255 2HD1 LEU 34 HD12 LEU 34 9.255 6.652 19.148 256 3HD1 LEU 34 HD13 LEU 34 9.349 7.749 17.771 257 1HD2 LEU 34 HD21 LEU 34 11.045 4.854 19.402 258 2HD2 LEU 34 HD22 LEU 34 12.304 6.076 19.218 259 3HD2 LEU 34 HD23 LEU 34 12.264 4.680 18.140 260 H ARG 35 HN ARG 35 9.952 1.847 16.794 261 HA ARG 35 HA ARG 35 7.899 1.594 14.694 262 1HB ARG 35 HB2 ARG 35 9.761 -0.552 15.730 263 2HB ARG 35 HB1 ARG 35 8.410 -0.842 14.647 264 1HG ARG 35 HG2 ARG 35 9.462 0.524 12.935 265 2HG ARG 35 HG1 ARG 35 10.805 0.875 14.026 266 1HD ARG 35 HD2 ARG 35 11.401 -1.472 14.095 267 2HD ARG 35 HD1 ARG 35 10.008 -1.880 13.096 268 HE ARG 35 HE ARG 35 11.545 -0.034 11.685 269 1HH1 ARG 35 HH11 ARG 35 11.776 -3.339 12.833 270 2HH1 ARG 35 HH12 ARG 35 12.908 -3.808 11.606 271 1HH2 ARG 35 HH21 ARG 35 13.011 -0.669 10.061 272 2HH2 ARG 35 HH22 ARG 35 13.627 -2.296 10.050 273 H ILE 36 HN ILE 36 5.935 1.411 15.545 274 HA ILE 36 HA ILE 36 5.647 0.338 18.269 275 HB ILE 36 HB ILE 36 4.493 2.440 17.905 276 1HG1 ILE 36 HG12 ILE 36 2.535 0.133 18.030 277 2HG1 ILE 36 HG11 ILE 36 3.446 0.779 19.391 278 1HG2 ILE 36 HG21 ILE 36 2.668 2.674 16.298 279 2HG2 ILE 36 HG22 ILE 36 2.996 1.052 15.690 280 3HG2 ILE 36 HG23 ILE 36 4.198 2.327 15.493 281 1HD1 ILE 36 HD11 ILE 36 1.145 1.567 19.389 282 2HD1 ILE 36 HD12 ILE 36 1.382 2.277 17.792 283 3HD1 ILE 36 HD13 ILE 36 2.278 2.901 19.177 284 H CYS 37 HN CYS 37 5.143 -1.634 18.569 285 HA CYS 37 HA CYS 37 4.645 -3.434 16.417 286 1HB CYS 37 HB2 CYS 37 5.959 -3.982 18.422 287 2HB CYS 37 HB1 CYS 37 4.516 -3.804 19.408 288 H ARG 38 HN ARG 38 2.720 -3.746 15.483 289 HA ARG 38 HA ARG 38 0.381 -2.490 16.529 290 1HB ARG 38 HB2 ARG 38 0.845 -4.224 14.109 291 2HB ARG 38 HB1 ARG 38 -0.712 -3.506 14.492 292 1HG ARG 38 HG2 ARG 38 1.826 -1.956 14.033 293 2HG ARG 38 HG1 ARG 38 0.576 -2.235 12.820 294 1HD ARG 38 HD2 ARG 38 0.262 -0.748 15.427 295 2HD ARG 38 HD1 ARG 38 0.299 -0.045 13.810 296 HE ARG 38 HE ARG 38 -1.820 -1.945 14.562 297 1HH1 ARG 38 HH11 ARG 38 -0.813 1.234 13.479 298 2HH1 ARG 38 HH12 ARG 38 -2.436 1.751 13.118 299 1HH2 ARG 38 HH21 ARG 38 -3.953 -1.249 14.070 300 2HH2 ARG 38 HH22 ARG 38 -4.205 0.353 13.458 301 H THR 39 HN THR 39 1.651 -5.311 17.529 302 HA THR 39 HA THR 39 -0.926 -6.698 17.683 303 HB THR 39 HB THR 39 1.673 -7.819 18.696 304 HG1 THR 39 HG1 THR 39 1.238 -8.817 16.306 305 1HG2 THR 39 HG21 THR 39 0.585 -9.952 18.149 306 2HG2 THR 39 HG22 THR 39 -0.836 -9.077 17.578 307 3HG2 THR 39 HG23 THR 39 -0.381 -9.005 19.281 308 H CYS 40 HN CYS 40 1.761 -5.761 19.825 309 HA CYS 40 HA CYS 40 -0.054 -6.130 22.105 310 1HB CYS 40 HB2 CYS 40 1.935 -6.525 23.464 311 2HB CYS 40 HB1 CYS 40 1.943 -7.584 22.060 312 H GLY 41 HN GLY 41 1.343 -3.737 20.249 313 1HA GLY 41 HA2 GLY 41 1.166 -1.452 20.494 314 2HA GLY 41 HA1 GLY 41 0.489 -1.715 22.091 315 H HIS 42 HN HIS 42 3.541 -3.194 21.459 316 HA HIS 42 HA HIS 42 4.721 -1.303 23.351 317 1HB HIS 42 HB2 HIS 42 4.825 -3.908 23.585 318 2HB HIS 42 HB1 HIS 42 6.116 -3.787 22.393 319 HD1 HIS 42 HD1 HIS 42 5.264 -2.868 25.938 320 HD2 HIS 42 HD2 HIS 42 8.538 -2.775 23.365 321 HE1 HIS 42 HE1 HIS 42 7.252 -2.345 27.384 322 HE2 HIS 42 HE2 HIS 42 9.238 -2.469 25.842 323 H VAL 43 HN VAL 43 6.459 -0.052 22.847 324 HA VAL 43 HA VAL 43 6.880 0.344 19.999 325 HB VAL 43 HB VAL 43 8.062 2.011 22.222 326 1HG1 VAL 43 HG11 VAL 43 8.944 2.520 20.048 327 2HG1 VAL 43 HG12 VAL 43 7.856 3.821 20.529 328 3HG1 VAL 43 HG13 VAL 43 7.322 2.612 19.361 329 1HG2 VAL 43 HG21 VAL 43 5.299 2.250 21.037 330 2HG2 VAL 43 HG22 VAL 43 6.066 3.462 22.064 331 3HG2 VAL 43 HG23 VAL 43 5.703 1.861 22.709 332 H GLY 44 HN GLY 44 9.190 0.875 19.329 333 1HA GLY 44 HA2 GLY 44 11.354 -0.097 20.913 334 2HA GLY 44 HA1 GLY 44 10.932 -1.218 19.624 335 H CYS 45 HN CYS 45 13.362 0.413 20.017 336 HA CYS 45 HA CYS 45 13.289 2.419 17.976 337 1HB CYS 45 HB2 CYS 45 15.822 2.335 18.281 338 2HB CYS 45 HB1 CYS 45 14.870 2.806 19.685 339 HG CYS 45 HG CYS 45 16.670 1.286 20.897 340 H CYS 46 HN CYS 46 13.936 2.300 15.910 341 HA CYS 46 HA CYS 46 13.706 -0.149 14.551 342 1HB CYS 46 HB2 CYS 46 13.178 2.036 13.558 343 2HB CYS 46 HB1 CYS 46 14.877 2.483 13.622 344 HG CYS 46 HG CYS 46 15.232 1.797 11.183 345 H ASP 47 HN ASP 47 15.410 -0.952 12.976 346 HA ASP 47 HA ASP 47 17.672 -1.806 14.440 347 1HB ASP 47 HB2 ASP 47 18.411 -2.825 12.282 348 2HB ASP 47 HB1 ASP 47 16.775 -3.261 12.755 349 H ASP 48 HN ASP 48 17.099 1.056 12.768 350 HA ASP 48 HA ASP 48 19.720 1.730 11.939 351 1HB ASP 48 HB2 ASP 48 17.495 3.555 12.887 352 2HB ASP 48 HB1 ASP 48 18.943 4.074 12.036 353 H SER 49 HN SER 49 18.179 1.557 15.009 354 HA SER 49 HA SER 49 20.246 3.142 16.334 355 1HB SER 49 HB2 SER 49 17.871 3.497 16.965 356 2HB SER 49 HB1 SER 49 17.763 1.809 17.456 357 HG SER 49 HG SER 49 19.305 3.879 18.621 358 HA PRO 50 HA PRO 50 22.827 -0.293 17.272 359 1HB PRO 50 HB2 PRO 50 23.465 0.414 19.906 360 2HB PRO 50 HB1 PRO 50 24.326 0.921 18.451 361 1HG PRO 50 HG2 PRO 50 22.259 2.371 20.035 362 2HG PRO 50 HG1 PRO 50 23.688 3.008 19.200 363 1HD PRO 50 HD2 PRO 50 21.236 3.310 18.180 364 2HD PRO 50 HD1 PRO 50 22.631 2.991 17.128 365 H HIS 51 HN HIS 51 20.301 0.556 19.586 366 HA HIS 51 HA HIS 51 20.423 -1.854 21.079 367 1HB HIS 51 HB2 HIS 51 18.442 0.361 20.824 368 2HB HIS 51 HB1 HIS 51 17.929 -1.139 21.584 369 HD1 HIS 51 HD1 HIS 51 18.918 2.003 22.592 370 HD2 HIS 51 HD2 HIS 51 20.243 -1.802 23.627 371 HE1 HIS 51 HE1 HIS 51 19.911 2.230 24.886 372 HE2 HIS 51 HE2 HIS 51 20.667 -0.084 25.522 373 H LYS 52 HN LYS 52 18.469 -0.847 18.302 374 HA LYS 52 HA LYS 52 17.029 -1.953 16.926 375 1HB LYS 52 HB2 LYS 52 18.738 -4.353 17.617 376 2HB LYS 52 HB1 LYS 52 17.686 -4.195 16.220 377 1HG LYS 52 HG2 LYS 52 19.085 -2.353 15.394 378 2HG LYS 52 HG1 LYS 52 20.157 -2.568 16.778 379 1HD LYS 52 HD2 LYS 52 19.570 -4.632 14.655 380 2HD LYS 52 HD1 LYS 52 21.044 -3.670 14.785 381 1HE LYS 52 HE2 LYS 52 21.496 -4.683 16.975 382 2HE LYS 52 HE1 LYS 52 20.036 -5.659 16.818 383 1HZ LYS 52 HZ1 LYS 52 21.979 -6.932 16.196 384 2HZ LYS 52 HZ2 LYS 52 22.415 -5.770 15.043 385 3HZ LYS 52 HZ3 LYS 52 21.001 -6.682 14.833 386 H HIS 53 HN HIS 53 15.963 -1.636 19.445 387 HA HIS 53 HA HIS 53 15.211 -4.082 20.680 388 1HB HIS 53 HB2 HIS 53 15.296 -1.784 21.784 389 2HB HIS 53 HB1 HIS 53 13.747 -1.463 21.011 390 HD1 HIS 53 HD1 HIS 53 12.310 -1.407 23.144 391 HD2 HIS 53 HD2 HIS 53 14.582 -4.882 22.763 392 HE1 HIS 53 HE1 HIS 53 11.498 -2.959 24.944 393 HE2 HIS 53 HE2 HIS 53 12.998 -4.979 24.802 394 H ALA 54 HN ALA 54 13.901 -2.291 18.032 395 HA ALA 54 HA ALA 54 11.237 -3.326 18.222 396 1HB ALA 54 HB1 ALA 54 11.753 -1.207 17.083 397 2HB ALA 54 HB2 ALA 54 10.879 -2.336 16.048 398 3HB ALA 54 HB3 ALA 54 12.615 -2.108 15.835 399 H THR 55 HN THR 55 14.161 -4.271 16.478 400 HA THR 55 HA THR 55 12.799 -6.309 14.970 401 HB THR 55 HB THR 55 15.175 -6.989 14.355 402 HG1 THR 55 HG1 THR 55 16.795 -5.487 14.900 403 1HG2 THR 55 HG21 THR 55 13.818 -5.569 12.908 404 2HG2 THR 55 HG22 THR 55 15.503 -5.048 12.886 405 3HG2 THR 55 HG23 THR 55 14.313 -4.145 13.822 406 H ARG 56 HN ARG 56 15.008 -6.196 17.731 407 HA ARG 56 HA ARG 56 15.224 -8.956 18.177 408 1HB ARG 56 HB2 ARG 56 15.396 -6.627 20.088 409 2HB ARG 56 HB1 ARG 56 15.775 -8.282 20.542 410 1HG ARG 56 HG2 ARG 56 17.563 -8.340 18.893 411 2HG ARG 56 HG1 ARG 56 17.170 -6.692 18.397 412 1HD ARG 56 HD2 ARG 56 19.098 -6.827 19.951 413 2HD ARG 56 HD1 ARG 56 17.771 -5.839 20.561 414 HE ARG 56 HE ARG 56 17.156 -7.729 21.988 415 1HH1 ARG 56 HH11 ARG 56 20.374 -7.701 20.609 416 2HH1 ARG 56 HH12 ARG 56 21.054 -8.712 21.847 417 1HH2 ARG 56 HH21 ARG 56 18.037 -9.076 23.606 418 2HH2 ARG 56 HH22 ARG 56 19.717 -9.516 23.541 419 H HIS 57 HN HIS 57 12.795 -6.623 19.144 420 HA HIS 57 HA HIS 57 11.392 -8.103 21.030 421 1HB HIS 57 HB2 HIS 57 10.892 -5.765 20.654 422 2HB HIS 57 HB1 HIS 57 10.379 -6.099 19.004 423 HD1 HIS 57 HD1 HIS 57 9.258 -6.573 22.585 424 HD2 HIS 57 HD2 HIS 57 7.801 -6.968 18.706 425 HE1 HIS 57 HE1 HIS 57 6.772 -6.998 22.790 426 H PHE 58 HN PHE 58 11.145 -8.116 17.504 427 HA PHE 58 HA PHE 58 8.881 -9.770 17.313 428 1HB PHE 58 HB2 PHE 58 9.472 -8.596 15.357 429 2HB PHE 58 HB1 PHE 58 11.139 -9.160 15.419 430 HD1 PHE 58 HD1 PHE 58 7.721 -10.670 15.265 431 HD2 PHE 58 HD2 PHE 58 11.722 -10.698 13.859 432 HE1 PHE 58 HE1 PHE 58 7.168 -12.520 13.744 433 HE2 PHE 58 HE2 PHE 58 11.181 -12.542 12.327 434 HZ PHE 58 HZ PHE 58 8.900 -13.459 12.272 435 H HIS 59 HN HIS 59 12.322 -10.504 17.511 436 HA HIS 59 HA HIS 59 12.104 -13.250 16.888 437 1HB HIS 59 HB2 HIS 59 14.215 -11.861 16.850 438 2HB HIS 59 HB1 HIS 59 14.237 -11.969 18.606 439 HD1 HIS 59 HD1 HIS 59 15.451 -13.918 19.560 440 HD2 HIS 59 HD2 HIS 59 14.366 -14.519 15.587 441 HE1 HIS 59 HE1 HIS 59 16.500 -16.109 18.886 442 HE2 HIS 59 HE2 HIS 59 15.697 -16.524 16.530 443 H ALA 60 HN ALA 60 11.550 -11.446 19.787 444 HA ALA 60 HA ALA 60 11.666 -13.798 21.490 445 1HB ALA 60 HB1 ALA 60 12.584 -11.660 22.272 446 2HB ALA 60 HB2 ALA 60 11.300 -12.258 23.324 447 3HB ALA 60 HB3 ALA 60 10.972 -10.949 22.188 448 H THR 61 HN THR 61 9.212 -11.475 20.360 449 HA THR 61 HA THR 61 7.165 -12.931 21.850 450 HB THR 61 HB THR 61 5.652 -11.071 21.035 451 HG1 THR 61 HG1 THR 61 8.146 -9.889 20.299 452 1HG2 THR 61 HG21 THR 61 6.494 -9.453 22.651 453 2HG2 THR 61 HG22 THR 61 8.064 -10.262 22.663 454 3HG2 THR 61 HG23 THR 61 6.639 -11.094 23.285 455 H GLY 62 HN GLY 62 8.300 -12.606 18.604 456 1HA GLY 62 HA2 GLY 62 7.604 -13.690 16.688 457 2HA GLY 62 HA1 GLY 62 6.365 -14.494 17.642 458 H HIS 63 HN HIS 63 6.787 -11.017 17.444 459 HA HIS 63 HA HIS 63 4.108 -10.825 16.243 460 1HB HIS 63 HB2 HIS 63 5.708 -8.837 17.873 461 2HB HIS 63 HB1 HIS 63 4.216 -8.421 17.041 462 HD2 HIS 63 HD2 HIS 63 2.932 -11.493 18.107 463 HE1 HIS 63 HE1 HIS 63 2.936 -9.270 21.713 464 HE2 HIS 63 HE2 HIS 63 1.820 -11.160 20.435 465 HA PRO 64 HA PRO 64 6.870 -9.977 12.829 466 1HB PRO 64 HB2 PRO 64 5.309 -10.865 10.864 467 2HB PRO 64 HB1 PRO 64 6.011 -11.970 12.051 468 1HG PRO 64 HG2 PRO 64 3.234 -10.871 11.895 469 2HG PRO 64 HG1 PRO 64 3.769 -12.512 12.302 470 1HD PRO 64 HD2 PRO 64 3.066 -10.566 14.144 471 2HD PRO 64 HD1 PRO 64 4.077 -11.981 14.495 472 H ILE 65 HN ILE 65 4.390 -7.997 13.684 473 HA ILE 65 HA ILE 65 4.801 -6.397 11.257 474 HB ILE 65 HB ILE 65 2.136 -6.753 12.629 475 1HG1 ILE 65 HG12 ILE 65 3.130 -7.462 9.860 476 2HG1 ILE 65 HG11 ILE 65 2.661 -8.587 11.129 477 1HG2 ILE 65 HG21 ILE 65 2.427 -4.433 12.006 478 2HG2 ILE 65 HG22 ILE 65 1.280 -5.200 10.909 479 3HG2 ILE 65 HG23 ILE 65 2.936 -4.901 10.384 480 1HD1 ILE 65 HD11 ILE 65 0.359 -7.807 10.974 481 2HD1 ILE 65 HD12 ILE 65 0.946 -8.404 9.421 482 3HD1 ILE 65 HD13 ILE 65 0.828 -6.668 9.713 483 H ILE 66 HN ILE 66 5.487 -4.463 11.595 484 HA ILE 66 HA ILE 66 4.877 -3.114 14.136 485 HB ILE 66 HB ILE 66 7.108 -1.947 13.863 486 1HG1 ILE 66 HG12 ILE 66 8.755 -3.642 12.629 487 2HG1 ILE 66 HG11 ILE 66 7.307 -3.988 11.695 488 1HG2 ILE 66 HG21 ILE 66 6.740 -3.622 15.564 489 2HG2 ILE 66 HG22 ILE 66 8.367 -3.777 14.902 490 3HG2 ILE 66 HG23 ILE 66 7.104 -4.906 14.411 491 1HD1 ILE 66 HD11 ILE 66 7.139 -1.676 11.032 492 2HD1 ILE 66 HD12 ILE 66 8.737 -2.311 10.637 493 3HD1 ILE 66 HD13 ILE 66 8.526 -1.262 12.039 494 H GLU 67 HN GLU 67 4.728 -0.821 14.003 495 HA GLU 67 HA GLU 67 4.247 0.179 11.275 496 1HB GLU 67 HB2 GLU 67 2.157 0.034 12.444 497 2HB GLU 67 HB1 GLU 67 2.833 0.802 13.870 498 1HG GLU 67 HG2 GLU 67 2.990 2.906 12.735 499 2HG GLU 67 HG1 GLU 67 2.508 2.165 11.209 500 H GLY 68 HN GLY 68 5.109 2.137 10.713 501 1HA GLY 68 HA2 GLY 68 7.352 3.101 12.177 502 2HA GLY 68 HA1 GLY 68 6.624 3.874 10.773 503 H TYR 69 HN TYR 69 7.221 4.194 14.025 504 HA TYR 69 HA TYR 69 4.738 5.620 14.601 505 1HB TYR 69 HB2 TYR 69 5.713 3.850 16.150 506 2HB TYR 69 HB1 TYR 69 6.966 5.023 16.542 507 HD1 TYR 69 HD1 TYR 69 6.642 6.252 18.464 508 HD2 TYR 69 HD2 TYR 69 3.238 4.913 16.294 509 HE1 TYR 69 HE1 TYR 69 5.172 7.250 20.163 510 HE2 TYR 69 HE2 TYR 69 1.760 5.908 17.986 511 HH TYR 69 HH TYR 69 1.942 6.529 20.442 512 H ASP 70 HN ASP 70 8.175 6.207 14.195 513 HA ASP 70 HA ASP 70 7.956 8.908 15.178 514 1HB ASP 70 HB2 ASP 70 10.275 9.159 14.845 515 2HB ASP 70 HB1 ASP 70 10.057 7.510 15.410 516 HA PRO 71 HA PRO 71 7.964 10.007 10.559 517 1HB PRO 71 HB2 PRO 71 7.170 7.807 8.924 518 2HB PRO 71 HB1 PRO 71 8.733 8.621 8.945 519 1HG PRO 71 HG2 PRO 71 8.296 6.009 9.745 520 2HG PRO 71 HG1 PRO 71 9.685 7.001 10.221 521 1HD PRO 71 HD2 PRO 71 7.175 6.400 11.730 522 2HD PRO 71 HD1 PRO 71 8.844 6.541 12.323 523 HA PRO 72 HA PRO 72 3.543 10.293 11.264 524 1HB PRO 72 HB2 PRO 72 3.678 12.655 9.541 525 2HB PRO 72 HB1 PRO 72 3.290 12.548 11.259 526 1HG PRO 72 HG2 PRO 72 5.583 13.649 10.367 527 2HG PRO 72 HG1 PRO 72 5.487 12.769 11.904 528 1HD PRO 72 HD2 PRO 72 6.517 11.838 9.248 529 2HD PRO 72 HD1 PRO 72 7.195 11.587 10.872 530 H GLU 73 HN GLU 73 4.419 8.548 9.166 531 HA GLU 73 HA GLU 73 2.831 9.322 6.824 532 1HB GLU 73 HB2 GLU 73 4.651 6.936 7.172 533 2HB GLU 73 HB1 GLU 73 3.970 7.536 5.667 534 1HG GLU 73 HG2 GLU 73 5.301 9.538 5.814 535 2HG GLU 73 HG1 GLU 73 5.925 9.039 7.387 536 H GLY 74 HN GLY 74 3.311 6.532 8.986 537 1HA GLY 74 HA2 GLY 74 1.630 5.151 9.870 538 2HA GLY 74 HA1 GLY 74 0.482 5.868 8.749 539 H TRP 75 HN TRP 75 3.068 3.526 9.097 540 HA TRP 75 HA TRP 75 1.901 1.957 6.953 541 1HB TRP 75 HB2 TRP 75 4.219 1.546 5.981 542 2HB TRP 75 HB1 TRP 75 3.473 3.095 5.620 543 HD1 TRP 75 HD1 TRP 75 4.750 5.231 6.311 544 HE1 TRP 75 HE1 TRP 75 7.027 5.702 7.408 545 HE3 TRP 75 HE3 TRP 75 5.887 0.483 7.877 546 HZ2 TRP 75 HZ2 TRP 75 9.032 4.250 8.769 547 HZ3 TRP 75 HZ3 TRP 75 8.008 0.120 9.067 548 HH2 TRP 75 HH2 TRP 75 9.546 1.964 9.503 549 H GLY 76 HN GLY 76 2.709 -0.236 6.881 550 1HA GLY 76 HA2 GLY 76 3.819 -1.084 9.482 551 2HA GLY 76 HA1 GLY 76 2.475 -1.919 8.716 552 H TRP 77 HN TRP 77 5.248 -2.741 9.492 553 HA TRP 77 HA TRP 77 6.089 -3.781 6.863 554 1HB TRP 77 HB2 TRP 77 7.752 -2.243 7.733 555 2HB TRP 77 HB1 TRP 77 7.759 -3.071 9.281 556 HD1 TRP 77 HD1 TRP 77 9.125 -5.365 9.446 557 HE1 TRP 77 HE1 TRP 77 10.980 -6.374 7.966 558 HE3 TRP 77 HE3 TRP 77 8.533 -2.432 5.299 559 HZ2 TRP 77 HZ2 TRP 77 12.040 -5.972 5.385 560 HZ3 TRP 77 HZ3 TRP 77 10.012 -2.808 3.370 561 HH2 TRP 77 HH2 TRP 77 11.730 -4.541 3.414 562 H CYS 78 HN CYS 78 6.044 -5.921 6.646 563 HA CYS 78 HA CYS 78 5.506 -7.550 9.028 564 1HB CYS 78 HB2 CYS 78 4.326 -7.529 6.528 565 2HB CYS 78 HB1 CYS 78 5.425 -8.898 6.422 566 H TYR 79 HN TYR 79 7.291 -8.317 9.959 567 HA TYR 79 HA TYR 79 9.844 -8.139 8.941 568 1HB TYR 79 HB2 TYR 79 8.683 -9.765 11.171 569 2HB TYR 79 HB1 TYR 79 10.389 -9.906 10.759 570 HD1 TYR 79 HD1 TYR 79 11.722 -7.682 10.650 571 HD2 TYR 79 HD2 TYR 79 8.004 -8.114 12.672 572 HE1 TYR 79 HE1 TYR 79 12.245 -5.711 12.016 573 HE2 TYR 79 HE2 TYR 79 8.517 -6.137 14.043 574 HH TYR 79 HH TYR 79 10.571 -4.913 14.812 575 H VAL 80 HN VAL 80 8.092 -11.247 9.315 576 HA VAL 80 HA VAL 80 10.133 -12.743 8.066 577 HB VAL 80 HB VAL 80 8.384 -14.556 7.878 578 1HG1 VAL 80 HG11 VAL 80 8.279 -14.927 10.295 579 2HG1 VAL 80 HG12 VAL 80 8.777 -13.258 10.571 580 3HG1 VAL 80 HG13 VAL 80 9.881 -14.389 9.789 581 1HG2 VAL 80 HG21 VAL 80 6.268 -14.217 9.031 582 2HG2 VAL 80 HG22 VAL 80 6.426 -13.093 7.681 583 3HG2 VAL 80 HG23 VAL 80 6.686 -12.531 9.333 584 H ASP 81 HN ASP 81 7.586 -10.875 6.753 585 HA ASP 81 HA ASP 81 7.600 -12.259 4.192 586 1HB ASP 81 HB2 ASP 81 6.160 -9.717 4.982 587 2HB ASP 81 HB1 ASP 81 5.877 -10.672 3.532 588 H GLU 82 HN GLU 82 8.884 -9.452 5.739 589 HA GLU 82 HA GLU 82 10.231 -7.757 5.130 590 1HB GLU 82 HB2 GLU 82 10.966 -9.604 2.851 591 2HB GLU 82 HB1 GLU 82 11.848 -8.148 3.298 592 1HG GLU 82 HG2 GLU 82 12.196 -9.155 5.559 593 2HG GLU 82 HG1 GLU 82 11.500 -10.647 4.932 594 H VAL 83 HN VAL 83 7.482 -7.906 4.168 595 HA VAL 83 HA VAL 83 7.708 -6.145 1.828 596 HB VAL 83 HB VAL 83 5.348 -6.570 1.362 597 1HG1 VAL 83 HG11 VAL 83 5.528 -8.894 0.640 598 2HG1 VAL 83 HG12 VAL 83 6.934 -9.111 1.683 599 3HG1 VAL 83 HG13 VAL 83 7.013 -7.998 0.317 600 1HG2 VAL 83 HG21 VAL 83 4.093 -8.286 2.558 601 2HG2 VAL 83 HG22 VAL 83 4.569 -6.979 3.643 602 3HG2 VAL 83 HG23 VAL 83 5.443 -8.511 3.670 603 H MET 84 HN MET 84 6.746 -4.175 1.827 604 HA MET 84 HA MET 84 5.877 -3.165 4.457 605 1HB MET 84 HB2 MET 84 7.941 -2.156 3.579 606 2HB MET 84 HB1 MET 84 7.101 -1.707 2.103 607 1HG MET 84 HG2 MET 84 5.636 -0.229 3.415 608 2HG MET 84 HG1 MET 84 6.546 -0.652 4.868 609 1HE MET 84 HE1 MET 84 6.848 2.030 5.196 610 2HE MET 84 HE2 MET 84 6.050 2.357 3.658 611 3HE MET 84 HE3 MET 84 7.628 3.066 4.001 612 H PHE 85 HN PHE 85 3.933 -2.187 4.639 613 HA PHE 85 HA PHE 85 2.467 -1.435 2.225 614 1HB PHE 85 HB2 PHE 85 0.387 -2.497 3.160 615 2HB PHE 85 HB1 PHE 85 1.610 -3.648 2.640 616 HD1 PHE 85 HD1 PHE 85 -0.188 -2.245 5.489 617 HD2 PHE 85 HD2 PHE 85 2.819 -4.997 4.261 618 HE1 PHE 85 HE1 PHE 85 -0.275 -3.322 7.697 619 HE2 PHE 85 HE2 PHE 85 2.738 -6.076 6.472 620 HZ PHE 85 HZ PHE 85 1.190 -5.239 8.193 621 H ASP 86 HN ASP 86 0.856 0.194 2.624 622 HA ASP 86 HA ASP 86 1.591 1.822 4.908 623 1HB ASP 86 HB2 ASP 86 0.516 3.616 3.869 624 2HB ASP 86 HB1 ASP 86 1.130 2.681 2.511 625 H LEU 87 HN LEU 87 0.051 2.763 6.342 626 HA LEU 87 HA LEU 87 -2.375 1.139 6.753 627 1HB LEU 87 HB2 LEU 87 -0.411 2.152 8.814 628 2HB LEU 87 HB1 LEU 87 -2.003 1.540 9.218 629 HG LEU 87 HG LEU 87 0.169 -0.070 7.867 630 1HD1 LEU 87 HD11 LEU 87 0.373 -1.220 10.009 631 2HD1 LEU 87 HD12 LEU 87 -0.807 -0.119 10.720 632 3HD1 LEU 87 HD13 LEU 87 0.753 0.495 10.173 633 1HD2 LEU 87 HD21 LEU 87 -2.513 -0.869 8.994 634 2HD2 LEU 87 HD22 LEU 87 -1.290 -1.974 8.367 635 3HD2 LEU 87 HD23 LEU 87 -2.073 -0.821 7.286 636 H SER 88 HN SER 88 -2.501 3.383 5.261 637 HA SER 88 HA SER 88 -2.504 5.876 6.363 638 1HB SER 88 HB2 SER 88 -4.428 6.273 4.611 639 2HB SER 88 HB1 SER 88 -2.797 5.861 4.079 640 HG SER 88 HG SER 88 -3.430 3.875 3.547 641 H ASP 89 HN ASP 89 -5.259 3.602 6.473 642 HA ASP 89 HA ASP 89 -6.670 5.569 8.138 643 1HB ASP 89 HB2 ASP 89 -7.653 3.228 6.530 644 2HB ASP 89 HB1 ASP 89 -8.657 3.996 7.755 645 H ARG 90 HN ARG 90 -4.610 3.177 8.708 646 HA ARG 90 HA ARG 90 -6.077 2.262 11.104 647 1HB ARG 90 HB2 ARG 90 -3.794 0.884 9.676 648 2HB ARG 90 HB1 ARG 90 -4.587 0.302 11.129 649 1HG ARG 90 HG2 ARG 90 -6.700 0.124 9.829 650 2HG ARG 90 HG1 ARG 90 -5.783 0.547 8.380 651 1HD ARG 90 HD2 ARG 90 -4.290 -1.389 8.833 652 2HD ARG 90 HD1 ARG 90 -5.346 -1.840 10.169 653 HE ARG 90 HE ARG 90 -6.461 -1.630 7.460 654 1HH1 ARG 90 HH11 ARG 90 -5.577 -3.574 10.240 655 2HH1 ARG 90 HH12 ARG 90 -6.418 -4.993 9.679 656 1HH2 ARG 90 HH21 ARG 90 -7.560 -3.503 6.709 657 2HH2 ARG 90 HH22 ARG 90 -7.541 -4.946 7.679 658 H MET 91 HN MET 91 -3.693 4.258 10.018 659 HA MET 91 HA MET 91 -1.449 3.700 11.540 660 1HB MET 91 HB2 MET 91 -0.749 6.008 11.070 661 2HB MET 91 HB1 MET 91 -1.369 5.196 9.643 662 1HG MET 91 HG2 MET 91 -3.482 6.369 9.873 663 2HG MET 91 HG1 MET 91 -2.898 7.157 11.336 664 1HE MET 91 HE1 MET 91 0.146 7.795 10.557 665 2HE MET 91 HE2 MET 91 -0.936 8.910 11.392 666 3HE MET 91 HE3 MET 91 -0.043 9.447 9.969 667 H THR 92 HN THR 92 -0.694 4.231 13.468 668 HA THR 92 HA THR 92 -2.583 5.309 15.417 669 HB THR 92 HB THR 92 0.182 4.246 15.995 670 HG1 THR 92 HG1 THR 92 -0.714 2.519 15.020 671 1HG2 THR 92 HG21 THR 92 -2.347 4.362 17.645 672 2HG2 THR 92 HG22 THR 92 -0.955 5.431 17.814 673 3HG2 THR 92 HG23 THR 92 -0.796 3.713 18.177 674 HA PRO 93 HA PRO 93 -0.324 9.219 15.143 675 1HB PRO 93 HB2 PRO 93 -2.266 10.161 17.100 676 2HB PRO 93 HB1 PRO 93 -2.019 10.699 15.438 677 1HG PRO 93 HG2 PRO 93 -4.218 9.317 16.247 678 2HG PRO 93 HG1 PRO 93 -3.572 9.244 14.598 679 1HD PRO 93 HD2 PRO 93 -3.295 7.282 16.835 680 2HD PRO 93 HD1 PRO 93 -3.504 6.991 15.095 681 H HIS 94 HN HIS 94 1.154 10.178 16.557 682 HA HIS 94 HA HIS 94 1.961 8.627 18.764 683 1HB HIS 94 HB2 HIS 94 3.497 10.515 19.331 684 2HB HIS 94 HB1 HIS 94 3.642 9.931 17.683 685 HD1 HIS 94 HD1 HIS 94 3.674 11.668 15.938 686 HD2 HIS 94 HD2 HIS 94 1.938 13.043 19.462 687 HE1 HIS 94 HE1 HIS 94 3.265 14.126 15.583 688 HE2 HIS 94 HE2 HIS 94 2.369 14.966 17.785 689 H ASN 95 HN ASN 95 1.536 8.673 20.857 690 HA ASN 95 HA ASN 95 -0.847 10.150 21.615 691 1HB ASN 95 HB2 ASN 95 -0.894 8.673 23.572 692 2HB ASN 95 HB1 ASN 95 -0.740 7.750 22.083 693 1HD2 ASN 95 HD21 ASN 95 -0.103 6.851 24.696 694 2HD2 ASN 95 HD22 ASN 95 1.591 6.487 24.718 695 H GLY 96 HN GLY 96 2.341 10.802 21.707 696 1HA GLY 96 HA2 GLY 96 1.924 12.938 23.602 697 2HA GLY 96 HA1 GLY 96 3.115 11.747 24.108 698 HA PRO 97 HA PRO 97 5.040 14.944 21.213 699 1HB PRO 97 HB2 PRO 97 6.676 16.158 23.004 700 2HB PRO 97 HB1 PRO 97 5.024 16.703 22.691 701 1HG PRO 97 HG2 PRO 97 6.074 15.031 24.938 702 2HG PRO 97 HG1 PRO 97 4.887 16.347 24.980 703 1HD PRO 97 HD2 PRO 97 4.198 13.714 25.029 704 2HD PRO 97 HD1 PRO 97 3.161 14.976 24.336 705 H ILE 98 HN ILE 98 6.417 13.736 20.068 706 HA ILE 98 HA ILE 98 8.408 12.102 21.456 707 HB ILE 98 HB ILE 98 7.696 12.202 18.521 708 1HG1 ILE 98 HG12 ILE 98 6.961 10.232 20.697 709 2HG1 ILE 98 HG11 ILE 98 5.863 11.321 19.855 710 1HG2 ILE 98 HG21 ILE 98 9.986 11.496 18.824 711 2HG2 ILE 98 HG22 ILE 98 8.996 10.107 18.373 712 3HG2 ILE 98 HG23 ILE 98 9.496 10.327 20.050 713 1HD1 ILE 98 HD11 ILE 98 7.365 9.012 18.650 714 2HD1 ILE 98 HD12 ILE 98 6.323 10.125 17.761 715 3HD1 ILE 98 HD13 ILE 98 5.639 9.080 19.006 716 HA PRO 99 HA PRO 99 11.306 15.485 20.833 717 1HB PRO 99 HB2 PRO 99 13.180 13.447 21.892 718 2HB PRO 99 HB1 PRO 99 12.866 15.089 22.461 719 1HG PRO 99 HG2 PRO 99 11.977 12.969 23.818 720 2HG PRO 99 HG1 PRO 99 11.006 14.449 23.688 721 1HD PRO 99 HD2 PRO 99 10.723 11.857 22.219 722 2HD PRO 99 HD1 PRO 99 9.465 12.926 22.875 723 H ARG 100 HN ARG 100 12.232 15.921 18.951 724 HA ARG 100 HA ARG 100 13.010 13.773 17.174 725 1HB ARG 100 HB2 ARG 100 11.740 15.704 16.311 726 2HB ARG 100 HB1 ARG 100 13.065 16.769 16.756 727 1HG ARG 100 HG2 ARG 100 13.755 14.509 14.991 728 2HG ARG 100 HG1 ARG 100 12.726 15.762 14.296 729 1HD ARG 100 HD2 ARG 100 15.242 16.441 15.776 730 2HD ARG 100 HD1 ARG 100 15.275 16.007 14.067 731 HE ARG 100 HE ARG 100 13.451 17.925 14.020 732 1HH1 ARG 100 HH11 ARG 100 16.519 17.840 15.731 733 2HH1 ARG 100 HH12 ARG 100 16.773 19.554 15.597 734 1HH2 ARG 100 HH21 ARG 100 13.813 20.188 13.846 735 2HH2 ARG 100 HH22 ARG 100 15.257 20.873 14.540 736 H TYR 101 HN TYR 101 14.878 12.848 17.778 737 HA TYR 101 HA TYR 101 17.131 14.475 18.601 738 1HB TYR 101 HB2 TYR 101 16.790 11.490 18.298 739 2HB TYR 101 HB1 TYR 101 18.301 12.249 18.785 740 HD1 TYR 101 HD1 TYR 101 18.372 13.554 20.930 741 HD2 TYR 101 HD2 TYR 101 15.051 11.126 19.852 742 HE1 TYR 101 HE1 TYR 101 17.633 13.537 23.275 743 HE2 TYR 101 HE2 TYR 101 14.301 11.104 22.191 744 HH TYR 101 HH TYR 101 15.313 11.400 24.452 745 H VAL 102 HN VAL 102 15.984 12.883 15.753 746 HA VAL 102 HA VAL 102 18.545 13.030 14.415 747 HB VAL 102 HB VAL 102 17.163 12.250 12.398 748 1HG1 VAL 102 HG11 VAL 102 17.146 9.940 13.203 749 2HG1 VAL 102 HG12 VAL 102 17.298 10.514 14.863 750 3HG1 VAL 102 HG13 VAL 102 18.608 10.783 13.714 751 1HG2 VAL 102 HG21 VAL 102 15.120 11.757 14.570 752 2HG2 VAL 102 HG22 VAL 102 15.021 11.190 12.903 753 3HG2 VAL 102 HG23 VAL 102 14.957 12.918 13.252 Start of MODEL 14 1 1H MET 1 HT1 MET 1 6.185 -0.528 -2.593 2 2H MET 1 HT2 MET 1 7.087 -1.583 -1.619 3 3H MET 1 HT3 MET 1 6.875 0.031 -1.147 4 HA MET 1 HA MET 1 5.471 -1.489 0.114 5 1HB MET 1 HB2 MET 1 4.802 0.879 -0.367 6 2HB MET 1 HB1 MET 1 3.887 0.294 -1.750 7 1HG MET 1 HG2 MET 1 2.491 -1.045 -0.255 8 2HG MET 1 HG1 MET 1 3.404 -0.443 1.127 9 1HE MET 1 HE1 MET 1 0.629 2.114 -1.528 10 2HE MET 1 HE2 MET 1 0.808 0.364 -1.669 11 3HE MET 1 HE3 MET 1 2.139 1.427 -2.126 12 H THR 2 HN THR 2 3.896 -3.086 0.146 13 HA THR 2 HA THR 2 2.958 -4.090 -2.443 14 HB THR 2 HB THR 2 4.963 -5.402 -1.767 15 HG1 THR 2 HG1 THR 2 3.509 -6.522 -3.017 16 1HG2 THR 2 HG21 THR 2 3.253 -6.212 0.584 17 2HG2 THR 2 HG22 THR 2 4.739 -5.264 0.650 18 3HG2 THR 2 HG23 THR 2 4.789 -6.950 0.133 19 H MET 3 HN MET 3 1.554 -6.290 -1.517 20 HA MET 3 HA MET 3 -0.730 -4.927 -0.392 21 1HB MET 3 HB2 MET 3 -0.431 -7.832 -1.171 22 2HB MET 3 HB1 MET 3 -1.939 -6.988 -0.851 23 1HG MET 3 HG2 MET 3 -0.040 -6.480 -3.127 24 2HG MET 3 HG1 MET 3 -1.623 -7.250 -3.221 25 1HE MET 3 HE1 MET 3 -3.308 -5.378 -1.192 26 2HE MET 3 HE2 MET 3 -3.903 -5.983 -2.737 27 3HE MET 3 HE3 MET 3 -4.018 -4.263 -2.360 28 H GLY 4 HN GLY 4 -1.799 -5.437 1.513 29 1HA GLY 4 HA2 GLY 4 -0.196 -6.208 3.715 30 2HA GLY 4 HA1 GLY 4 -1.938 -5.977 3.740 31 H CYS 5 HN CYS 5 -0.166 -8.040 4.961 32 HA CYS 5 HA CYS 5 -1.064 -10.462 3.591 33 1HB CYS 5 HB2 CYS 5 0.511 -11.644 5.049 34 2HB CYS 5 HB1 CYS 5 1.309 -10.330 4.192 35 H ARG 6 HN ARG 6 -1.826 -12.292 5.061 36 HA ARG 6 HA ARG 6 -4.179 -11.453 6.348 37 1HB ARG 6 HB2 ARG 6 -4.446 -13.807 7.020 38 2HB ARG 6 HB1 ARG 6 -4.038 -13.630 5.321 39 1HG ARG 6 HG2 ARG 6 -1.640 -14.098 5.994 40 2HG ARG 6 HG1 ARG 6 -2.285 -14.582 7.564 41 1HD ARG 6 HD2 ARG 6 -1.988 -16.513 6.100 42 2HD ARG 6 HD1 ARG 6 -3.692 -16.256 6.477 43 HE ARG 6 HE ARG 6 -3.344 -14.907 4.140 44 1HH1 ARG 6 HH11 ARG 6 -2.656 -18.200 5.139 45 2HH1 ARG 6 HH12 ARG 6 -2.928 -18.867 3.555 46 1HH2 ARG 6 HH21 ARG 6 -3.665 -15.775 2.063 47 2HH2 ARG 6 HH22 ARG 6 -3.495 -17.488 1.806 48 H HIS 7 HN HIS 7 -0.986 -11.790 7.588 49 HA HIS 7 HA HIS 7 -1.487 -12.055 10.321 50 1HB HIS 7 HB2 HIS 7 0.671 -10.484 8.904 51 2HB HIS 7 HB1 HIS 7 0.637 -10.738 10.644 52 HD2 HIS 7 HD2 HIS 7 -0.068 -13.932 10.639 53 HE1 HIS 7 HE1 HIS 7 3.435 -14.206 8.289 54 HE2 HIS 7 HE2 HIS 7 1.882 -15.457 9.848 55 H VAL 8 HN VAL 8 -2.077 -9.403 8.183 56 HA VAL 8 HA VAL 8 -2.183 -7.269 9.989 57 HB VAL 8 HB VAL 8 -2.816 -7.683 7.258 58 1HG1 VAL 8 HG11 VAL 8 -5.022 -6.228 8.704 59 2HG1 VAL 8 HG12 VAL 8 -5.178 -7.769 7.860 60 3HG1 VAL 8 HG13 VAL 8 -4.803 -6.302 6.956 61 1HG2 VAL 8 HG21 VAL 8 -2.686 -5.180 8.924 62 2HG2 VAL 8 HG22 VAL 8 -2.625 -5.236 7.162 63 3HG2 VAL 8 HG23 VAL 8 -1.338 -5.977 8.114 64 H ALA 9 HN ALA 9 -4.428 -9.879 9.406 65 HA ALA 9 HA ALA 9 -6.659 -8.691 10.712 66 1HB ALA 9 HB1 ALA 9 -7.626 -10.916 10.699 67 2HB ALA 9 HB2 ALA 9 -6.059 -11.618 10.297 68 3HB ALA 9 HB3 ALA 9 -6.879 -10.570 9.140 69 H GLY 10 HN GLY 10 -3.740 -10.034 11.834 70 1HA GLY 10 HA2 GLY 10 -4.811 -10.741 14.454 71 2HA GLY 10 HA1 GLY 10 -3.162 -10.989 13.902 72 H ILE 11 HN ILE 11 -3.506 -7.997 12.940 73 HA ILE 11 HA ILE 11 -2.582 -6.898 15.499 74 HB ILE 11 HB ILE 11 -1.655 -5.023 14.222 75 1HG1 ILE 11 HG12 ILE 11 -2.527 -6.548 11.759 76 2HG1 ILE 11 HG11 ILE 11 -3.320 -5.100 12.367 77 1HG2 ILE 11 HG21 ILE 11 -0.259 -6.947 14.673 78 2HG2 ILE 11 HG22 ILE 11 0.141 -6.261 13.098 79 3HG2 ILE 11 HG23 ILE 11 -0.826 -7.733 13.200 80 1HD1 ILE 11 HD11 ILE 11 -0.475 -5.270 11.399 81 2HD1 ILE 11 HD12 ILE 11 -1.290 -3.818 11.983 82 3HD1 ILE 11 HD13 ILE 11 -1.843 -4.606 10.503 83 H ARG 12 HN ARG 12 -3.312 -4.843 16.197 84 HA ARG 12 HA ARG 12 -5.861 -3.970 15.052 85 1HB ARG 12 HB2 ARG 12 -6.918 -3.811 17.210 86 2HB ARG 12 HB1 ARG 12 -6.331 -5.449 16.999 87 1HG ARG 12 HG2 ARG 12 -4.864 -3.346 18.574 88 2HG ARG 12 HG1 ARG 12 -6.021 -4.472 19.281 89 1HD ARG 12 HD2 ARG 12 -3.414 -5.132 17.927 90 2HD ARG 12 HD1 ARG 12 -3.811 -5.326 19.631 91 HE ARG 12 HE ARG 12 -5.394 -6.826 17.684 92 1HH1 ARG 12 HH11 ARG 12 -2.873 -6.821 20.119 93 2HH1 ARG 12 HH12 ARG 12 -2.908 -8.543 20.340 94 1HH2 ARG 12 HH21 ARG 12 -5.430 -9.082 17.959 95 2HH2 ARG 12 HH22 ARG 12 -4.352 -9.834 19.086 96 H THR 13 HN THR 13 -6.533 -1.821 16.266 97 HA THR 13 HA THR 13 -4.303 -0.007 16.049 98 HB THR 13 HB THR 13 -7.137 0.528 16.982 99 HG1 THR 13 HG1 THR 13 -6.607 -0.233 14.683 100 1HG2 THR 13 HG21 THR 13 -5.543 2.241 17.723 101 2HG2 THR 13 HG22 THR 13 -6.631 2.871 16.486 102 3HG2 THR 13 HG23 THR 13 -4.976 2.432 16.063 103 H VAL 14 HN VAL 14 -2.851 -0.042 17.613 104 HA VAL 14 HA VAL 14 -3.648 -0.726 20.332 105 HB VAL 14 HB VAL 14 -1.195 -0.931 20.738 106 1HG1 VAL 14 HG11 VAL 14 -2.282 -2.509 18.413 107 2HG1 VAL 14 HG12 VAL 14 -2.494 -2.884 20.123 108 3HG1 VAL 14 HG13 VAL 14 -0.889 -2.963 19.395 109 1HG2 VAL 14 HG21 VAL 14 -0.992 -0.387 17.776 110 2HG2 VAL 14 HG22 VAL 14 0.328 -0.912 18.821 111 3HG2 VAL 14 HG23 VAL 14 -0.414 0.669 19.065 112 H THR 15 HN THR 15 -2.212 0.421 22.055 113 HA THR 15 HA THR 15 -2.100 3.307 21.448 114 HB THR 15 HB THR 15 -2.699 2.015 24.124 115 HG1 THR 15 HG1 THR 15 -4.360 2.206 22.242 116 1HG2 THR 15 HG21 THR 15 -3.157 4.300 24.885 117 2HG2 THR 15 HG22 THR 15 -2.659 4.925 23.313 118 3HG2 THR 15 HG23 THR 15 -1.483 4.126 24.356 119 HA PRO 16 HA PRO 16 2.270 2.671 22.078 120 1HB PRO 16 HB2 PRO 16 2.301 5.615 22.369 121 2HB PRO 16 HB1 PRO 16 3.175 4.588 21.228 122 1HG PRO 16 HG2 PRO 16 1.113 6.100 20.441 123 2HG PRO 16 HG1 PRO 16 1.404 4.493 19.748 124 1HD PRO 16 HD2 PRO 16 -0.602 5.342 21.798 125 2HD PRO 16 HD1 PRO 16 -0.774 4.187 20.459 126 H SER 17 HN SER 17 2.994 1.976 23.986 127 HA SER 17 HA SER 17 2.170 3.199 26.455 128 1HB SER 17 HB2 SER 17 2.552 0.740 26.226 129 2HB SER 17 HB1 SER 17 4.274 1.062 26.027 130 HG SER 17 HG SER 17 2.856 2.039 28.274 131 H ALA 18 HN ALA 18 4.792 3.550 24.269 132 HA ALA 18 HA ALA 18 6.100 5.386 26.155 133 1HB ALA 18 HB1 ALA 18 7.471 3.370 25.973 134 2HB ALA 18 HB2 ALA 18 8.282 4.749 25.229 135 3HB ALA 18 HB3 ALA 18 7.497 3.536 24.217 136 H LEU 19 HN LEU 19 6.978 7.256 25.224 137 HA LEU 19 HA LEU 19 5.700 8.089 22.781 138 1HB LEU 19 HB2 LEU 19 7.630 9.498 24.630 139 2HB LEU 19 HB1 LEU 19 6.960 10.236 23.191 140 HG LEU 19 HG LEU 19 4.671 9.915 24.200 141 1HD1 LEU 19 HD11 LEU 19 4.511 9.563 26.596 142 2HD1 LEU 19 HD12 LEU 19 6.255 9.319 26.693 143 3HD1 LEU 19 HD13 LEU 19 5.251 8.166 25.814 144 1HD2 LEU 19 HD21 LEU 19 5.802 12.066 24.227 145 2HD2 LEU 19 HD22 LEU 19 6.637 11.622 25.716 146 3HD2 LEU 19 HD23 LEU 19 4.885 11.822 25.714 147 H GLY 20 HN GLY 20 9.106 8.414 23.766 148 1HA GLY 20 HA2 GLY 20 9.946 7.823 21.042 149 2HA GLY 20 HA1 GLY 20 10.982 8.335 22.368 150 H CYS 21 HN CYS 21 12.482 6.670 21.887 151 HA CYS 21 HA CYS 21 11.599 3.925 22.018 152 1HB CYS 21 HB2 CYS 21 13.418 4.493 20.497 153 2HB CYS 21 HB1 CYS 21 14.384 5.089 21.845 154 HG CYS 21 HG CYS 21 13.330 1.896 22.065 155 H GLU 22 HN GLU 22 11.010 3.206 23.931 156 HA GLU 22 HA GLU 22 11.624 3.980 26.460 157 1HB GLU 22 HB2 GLU 22 9.974 2.265 25.961 158 2HB GLU 22 HB1 GLU 22 11.237 1.159 25.440 159 1HG GLU 22 HG2 GLU 22 12.126 1.534 27.880 160 2HG GLU 22 HG1 GLU 22 10.448 1.990 28.182 161 H GLU 23 HN GLU 23 13.461 1.694 24.488 162 HA GLU 23 HA GLU 23 15.308 0.849 26.388 163 1HB GLU 23 HB2 GLU 23 14.801 0.053 23.937 164 2HB GLU 23 HB1 GLU 23 16.090 1.172 23.516 165 1HG GLU 23 HG2 GLU 23 16.878 -1.131 23.783 166 2HG GLU 23 HG1 GLU 23 17.641 -0.017 24.919 167 H CYS 24 HN CYS 24 15.853 3.272 23.823 168 HA CYS 24 HA CYS 24 18.290 4.205 24.813 169 1HB CYS 24 HB2 CYS 24 16.240 5.692 23.160 170 2HB CYS 24 HB1 CYS 24 17.938 6.126 23.331 171 HG CYS 24 HG CYS 24 18.510 4.919 21.135 172 H LEU 25 HN LEU 25 14.980 5.137 25.585 173 HA LEU 25 HA LEU 25 15.624 7.563 26.903 174 1HB LEU 25 HB2 LEU 25 13.205 5.781 27.089 175 2HB LEU 25 HB1 LEU 25 13.329 7.331 27.896 176 HG LEU 25 HG LEU 25 13.438 6.911 24.908 177 1HD1 LEU 25 HD11 LEU 25 11.236 7.978 24.910 178 2HD1 LEU 25 HD12 LEU 25 11.253 8.005 26.673 179 3HD1 LEU 25 HD13 LEU 25 11.227 6.464 25.815 180 1HD2 LEU 25 HD21 LEU 25 13.279 9.350 24.792 181 2HD2 LEU 25 HD22 LEU 25 14.746 8.840 25.627 182 3HD2 LEU 25 HD23 LEU 25 13.369 9.441 26.550 183 H LYS 26 HN LYS 26 15.852 4.271 27.934 184 HA LYS 26 HA LYS 26 15.438 4.768 30.713 185 1HB LYS 26 HB2 LYS 26 15.977 2.520 31.082 186 2HB LYS 26 HB1 LYS 26 15.271 2.519 29.474 187 1HG LYS 26 HG2 LYS 26 17.711 2.683 28.648 188 2HG LYS 26 HG1 LYS 26 18.129 2.158 30.279 189 1HD LYS 26 HD2 LYS 26 16.333 0.694 28.345 190 2HD LYS 26 HD1 LYS 26 17.992 0.260 28.750 191 1HE LYS 26 HE2 LYS 26 17.355 -0.189 31.037 192 2HE LYS 26 HE1 LYS 26 15.710 0.361 30.717 193 1HZ LYS 26 HZ1 LYS 26 15.804 -2.032 30.677 194 2HZ LYS 26 HZ2 LYS 26 17.033 -2.014 29.511 195 3HZ LYS 26 HZ3 LYS 26 15.480 -1.463 29.114 196 H ILE 27 HN ILE 27 18.088 5.247 28.589 197 HA ILE 27 HA ILE 27 19.827 5.772 30.912 198 HB ILE 27 HB ILE 27 21.768 5.406 29.384 199 1HG1 ILE 27 HG12 ILE 27 19.658 4.259 27.539 200 2HG1 ILE 27 HG11 ILE 27 20.566 5.740 27.253 201 1HG2 ILE 27 HG21 ILE 27 21.660 2.966 29.476 202 2HG2 ILE 27 HG22 ILE 27 19.921 3.051 29.756 203 3HG2 ILE 27 HG23 ILE 27 21.040 3.693 30.959 204 1HD1 ILE 27 HD11 ILE 27 22.630 4.463 27.132 205 2HD1 ILE 27 HD12 ILE 27 21.446 3.874 25.964 206 3HD1 ILE 27 HD13 ILE 27 21.738 2.977 27.454 207 H GLY 28 HN GLY 28 18.103 7.207 28.461 208 1HA GLY 28 HA2 GLY 28 17.986 9.468 27.927 209 2HA GLY 28 HA1 GLY 28 19.457 9.733 28.853 210 H SER 29 HN SER 29 18.826 7.553 26.146 211 HA SER 29 HA SER 29 21.050 8.830 24.702 212 1HB SER 29 HB2 SER 29 21.487 6.497 25.282 213 2HB SER 29 HB1 SER 29 19.964 6.003 24.547 214 HG SER 29 HG SER 29 20.936 7.016 22.560 215 HA PRO 30 HA PRO 30 18.120 9.825 21.472 216 1HB PRO 30 HB2 PRO 30 19.836 10.212 19.425 217 2HB PRO 30 HB1 PRO 30 19.678 11.367 20.754 218 1HG PRO 30 HG2 PRO 30 21.754 9.257 20.315 219 2HG PRO 30 HG1 PRO 30 21.956 10.927 20.874 220 1HD PRO 30 HD2 PRO 30 21.931 8.781 22.553 221 2HD PRO 30 HD1 PRO 30 21.396 10.402 23.037 222 H TRP 31 HN TRP 31 17.661 9.123 19.169 223 HA TRP 31 HA TRP 31 18.590 6.430 18.531 224 1HB TRP 31 HB2 TRP 31 16.274 5.697 18.038 225 2HB TRP 31 HB1 TRP 31 16.509 6.057 19.745 226 HD1 TRP 31 HD1 TRP 31 14.825 7.521 16.598 227 HE1 TRP 31 HE1 TRP 31 12.955 9.123 17.349 228 HE3 TRP 31 HE3 TRP 31 15.689 7.453 21.636 229 HZ2 TRP 31 HZ2 TRP 31 11.976 10.205 19.768 230 HZ3 TRP 31 HZ3 TRP 31 14.240 8.798 23.098 231 HH2 TRP 31 HH2 TRP 31 12.423 10.145 22.181 232 H VAL 32 HN VAL 32 17.431 5.862 16.280 233 HA VAL 32 HA VAL 32 17.864 8.216 14.573 234 HB VAL 32 HB VAL 32 17.798 5.315 13.725 235 1HG1 VAL 32 HG11 VAL 32 18.696 7.806 12.277 236 2HG1 VAL 32 HG12 VAL 32 17.239 6.870 11.939 237 3HG1 VAL 32 HG13 VAL 32 18.829 6.157 11.664 238 1HG2 VAL 32 HG21 VAL 32 20.231 5.454 13.584 239 2HG2 VAL 32 HG22 VAL 32 19.678 5.738 15.234 240 3HG2 VAL 32 HG23 VAL 32 20.182 7.095 14.228 241 H HIS 33 HN HIS 33 15.781 5.322 14.715 242 HA HIS 33 HA HIS 33 13.487 6.996 14.028 243 1HB HIS 33 HB2 HIS 33 14.192 4.444 12.553 244 2HB HIS 33 HB1 HIS 33 12.663 5.297 12.403 245 HD1 HIS 33 HD1 HIS 33 15.693 4.875 10.661 246 HD2 HIS 33 HD2 HIS 33 13.292 8.173 11.519 247 HE1 HIS 33 HE1 HIS 33 16.306 6.633 8.962 248 HE2 HIS 33 HE2 HIS 33 14.814 8.603 9.465 249 H LEU 34 HN LEU 34 11.425 5.813 14.406 250 HA LEU 34 HA LEU 34 11.736 3.878 16.603 251 1HB LEU 34 HB2 LEU 34 9.625 5.994 16.198 252 2HB LEU 34 HB1 LEU 34 9.573 4.771 17.454 253 HG LEU 34 HG LEU 34 11.682 6.912 17.176 254 1HD1 LEU 34 HD11 LEU 34 10.679 7.827 19.208 255 2HD1 LEU 34 HD12 LEU 34 9.425 6.588 19.147 256 3HD1 LEU 34 HD13 LEU 34 9.527 7.803 17.872 257 1HD2 LEU 34 HD21 LEU 34 11.256 4.839 19.323 258 2HD2 LEU 34 HD22 LEU 34 12.463 6.125 19.344 259 3HD2 LEU 34 HD23 LEU 34 12.561 4.843 18.137 260 H ARG 35 HN ARG 35 10.573 2.066 16.587 261 HA ARG 35 HA ARG 35 8.594 1.689 14.431 262 1HB ARG 35 HB2 ARG 35 10.473 -0.364 15.634 263 2HB ARG 35 HB1 ARG 35 9.231 -0.707 14.439 264 1HG ARG 35 HG2 ARG 35 11.479 1.220 13.925 265 2HG ARG 35 HG1 ARG 35 11.607 -0.508 13.595 266 1HD ARG 35 HD2 ARG 35 9.713 -0.372 12.070 267 2HD ARG 35 HD1 ARG 35 9.528 1.343 12.432 268 HE ARG 35 HE ARG 35 11.568 1.768 11.268 269 1HH1 ARG 35 HH11 ARG 35 10.440 -1.534 10.967 270 2HH1 ARG 35 HH12 ARG 35 11.392 -1.864 9.559 271 1HH2 ARG 35 HH21 ARG 35 12.810 1.341 9.396 272 2HH2 ARG 35 HH22 ARG 35 12.751 -0.241 8.672 273 H ILE 36 HN ILE 36 6.607 1.569 15.291 274 HA ILE 36 HA ILE 36 6.322 0.674 18.076 275 HB ILE 36 HB ILE 36 5.258 2.803 17.575 276 1HG1 ILE 36 HG12 ILE 36 3.202 0.614 17.939 277 2HG1 ILE 36 HG11 ILE 36 4.213 1.279 19.217 278 1HG2 ILE 36 HG21 ILE 36 4.864 2.519 15.194 279 2HG2 ILE 36 HG22 ILE 36 3.374 2.975 16.020 280 3HG2 ILE 36 HG23 ILE 36 3.632 1.302 15.528 281 1HD1 ILE 36 HD11 ILE 36 1.978 2.210 19.287 282 2HD1 ILE 36 HD12 ILE 36 2.151 2.787 17.630 283 3HD1 ILE 36 HD13 ILE 36 3.165 3.458 18.908 284 H CYS 37 HN CYS 37 5.477 -1.155 18.602 285 HA CYS 37 HA CYS 37 5.015 -3.126 16.570 286 1HB CYS 37 HB2 CYS 37 6.250 -3.568 18.641 287 2HB CYS 37 HB1 CYS 37 4.802 -3.230 19.576 288 H ARG 38 HN ARG 38 3.105 -3.494 15.626 289 HA ARG 38 HA ARG 38 0.754 -2.110 16.464 290 1HB ARG 38 HB2 ARG 38 1.272 -4.125 14.289 291 2HB ARG 38 HB1 ARG 38 -0.313 -3.424 14.570 292 1HG ARG 38 HG2 ARG 38 2.183 -1.888 13.882 293 2HG ARG 38 HG1 ARG 38 0.879 -2.298 12.766 294 1HD ARG 38 HD2 ARG 38 0.756 -0.483 15.165 295 2HD ARG 38 HD1 ARG 38 0.544 -0.048 13.470 296 HE ARG 38 HE ARG 38 -1.365 -1.726 14.974 297 1HH1 ARG 38 HH11 ARG 38 -0.662 0.707 12.540 298 2HH1 ARG 38 HH12 ARG 38 -2.342 1.058 12.260 299 1HH2 ARG 38 HH21 ARG 38 -3.559 -1.243 14.584 300 2HH2 ARG 38 HH22 ARG 38 -3.974 -0.026 13.410 301 H THR 39 HN THR 39 2.033 -4.874 17.691 302 HA THR 39 HA THR 39 -0.507 -6.269 17.982 303 HB THR 39 HB THR 39 2.079 -7.171 19.211 304 HG1 THR 39 HG1 THR 39 1.445 -8.088 16.643 305 1HG2 THR 39 HG21 THR 39 1.125 -9.392 18.780 306 2HG2 THR 39 HG22 THR 39 -0.290 -8.640 18.042 307 3HG2 THR 39 HG23 THR 39 0.041 -8.405 19.759 308 H CYS 40 HN CYS 40 2.045 -4.915 20.060 309 HA CYS 40 HA CYS 40 0.158 -5.067 22.312 310 1HB CYS 40 HB2 CYS 40 2.062 -5.442 23.791 311 2HB CYS 40 HB1 CYS 40 2.043 -6.645 22.510 312 H GLY 41 HN GLY 41 1.547 -2.931 20.269 313 1HA GLY 41 HA2 GLY 41 1.551 -0.636 20.307 314 2HA GLY 41 HA1 GLY 41 0.810 -0.721 21.894 315 H HIS 42 HN HIS 42 3.848 -2.351 21.479 316 HA HIS 42 HA HIS 42 5.037 -0.315 23.208 317 1HB HIS 42 HB2 HIS 42 5.146 -2.825 23.749 318 2HB HIS 42 HB1 HIS 42 6.340 -2.927 22.458 319 HD1 HIS 42 HD1 HIS 42 8.670 -1.901 22.911 320 HD2 HIS 42 HD2 HIS 42 6.016 -1.515 26.085 321 HE1 HIS 42 HE1 HIS 42 10.053 -1.126 24.854 322 HE2 HIS 42 HE2 HIS 42 8.457 -1.025 26.798 323 H VAL 43 HN VAL 43 6.677 0.960 22.606 324 HA VAL 43 HA VAL 43 7.365 0.958 19.768 325 HB VAL 43 HB VAL 43 7.930 3.063 21.867 326 1HG1 VAL 43 HG11 VAL 43 8.287 4.551 19.961 327 2HG1 VAL 43 HG12 VAL 43 8.017 3.204 18.855 328 3HG1 VAL 43 HG13 VAL 43 9.412 3.193 19.934 329 1HG2 VAL 43 HG21 VAL 43 6.026 4.277 20.927 330 2HG2 VAL 43 HG22 VAL 43 5.530 2.726 21.604 331 3HG2 VAL 43 HG23 VAL 43 5.686 2.918 19.857 332 H GLY 44 HN GLY 44 9.406 0.688 19.014 333 1HA GLY 44 HA2 GLY 44 11.601 0.511 20.970 334 2HA GLY 44 HA1 GLY 44 11.360 -0.782 19.800 335 H CYS 45 HN CYS 45 13.753 0.619 19.914 336 HA CYS 45 HA CYS 45 13.805 2.728 17.991 337 1HB CYS 45 HB2 CYS 45 16.263 2.453 18.100 338 2HB CYS 45 HB1 CYS 45 15.541 2.590 19.700 339 HG CYS 45 HG CYS 45 16.661 -0.271 18.204 340 H CYS 46 HN CYS 46 14.415 2.671 15.879 341 HA CYS 46 HA CYS 46 13.740 0.393 14.365 342 1HB CYS 46 HB2 CYS 46 13.602 2.785 13.629 343 2HB CYS 46 HB1 CYS 46 15.355 2.798 13.496 344 HG CYS 46 HG CYS 46 15.193 2.288 10.990 345 H ASP 47 HN ASP 47 15.288 -0.471 12.625 346 HA ASP 47 HA ASP 47 17.417 -1.823 13.913 347 1HB ASP 47 HB2 ASP 47 17.870 -2.809 11.737 348 2HB ASP 47 HB1 ASP 47 16.132 -2.770 12.015 349 H ASP 48 HN ASP 48 17.198 1.207 12.384 350 HA ASP 48 HA ASP 48 19.875 1.573 11.553 351 1HB ASP 48 HB2 ASP 48 18.035 3.725 12.616 352 2HB ASP 48 HB1 ASP 48 19.388 3.930 11.511 353 H SER 49 HN SER 49 18.229 1.878 14.618 354 HA SER 49 HA SER 49 20.437 3.232 15.891 355 1HB SER 49 HB2 SER 49 17.889 2.136 17.104 356 2HB SER 49 HB1 SER 49 18.992 3.305 17.837 357 HG SER 49 HG SER 49 18.407 4.341 15.548 358 HA PRO 50 HA PRO 50 22.927 -0.221 16.885 359 1HB PRO 50 HB2 PRO 50 23.181 1.196 19.503 360 2HB PRO 50 HB1 PRO 50 24.441 0.541 18.450 361 1HG PRO 50 HG2 PRO 50 23.941 3.153 18.505 362 2HG PRO 50 HG1 PRO 50 24.328 2.330 16.983 363 1HD PRO 50 HD2 PRO 50 21.717 3.351 17.969 364 2HD PRO 50 HD1 PRO 50 22.323 3.206 16.310 365 H HIS 51 HN HIS 51 20.489 0.764 19.263 366 HA HIS 51 HA HIS 51 20.780 -1.519 20.921 367 1HB HIS 51 HB2 HIS 51 18.465 0.401 20.613 368 2HB HIS 51 HB1 HIS 51 18.531 -0.864 21.832 369 HD1 HIS 51 HD1 HIS 51 19.314 -0.051 24.037 370 HD2 HIS 51 HD2 HIS 51 20.903 2.187 20.912 371 HE1 HIS 51 HE1 HIS 51 20.564 1.832 25.121 372 HE2 HIS 51 HE2 HIS 51 21.731 3.016 23.219 373 H LYS 52 HN LYS 52 18.756 -0.802 18.140 374 HA LYS 52 HA LYS 52 17.183 -2.002 16.991 375 1HB LYS 52 HB2 LYS 52 19.359 -4.038 17.441 376 2HB LYS 52 HB1 LYS 52 18.019 -4.282 16.331 377 1HG LYS 52 HG2 LYS 52 18.714 -2.381 15.016 378 2HG LYS 52 HG1 LYS 52 20.007 -2.030 16.163 379 1HD LYS 52 HD2 LYS 52 19.754 -4.564 14.549 380 2HD LYS 52 HD1 LYS 52 20.812 -3.208 14.153 381 1HE LYS 52 HE2 LYS 52 21.963 -3.514 16.312 382 2HE LYS 52 HE1 LYS 52 20.932 -4.906 16.642 383 1HZ LYS 52 HZ1 LYS 52 22.701 -4.717 14.269 384 2HZ LYS 52 HZ2 LYS 52 21.883 -6.088 14.841 385 3HZ LYS 52 HZ3 LYS 52 23.173 -5.439 15.730 386 H HIS 53 HN HIS 53 16.298 -1.875 19.612 387 HA HIS 53 HA HIS 53 15.773 -4.511 20.590 388 1HB HIS 53 HB2 HIS 53 15.916 -2.444 22.051 389 2HB HIS 53 HB1 HIS 53 14.315 -2.012 21.452 390 HD1 HIS 53 HD1 HIS 53 13.165 -2.327 23.757 391 HD2 HIS 53 HD2 HIS 53 15.147 -5.715 22.380 392 HE1 HIS 53 HE1 HIS 53 12.393 -4.216 25.224 393 HE2 HIS 53 HE2 HIS 53 13.766 -6.201 24.508 394 H ALA 54 HN ALA 54 14.312 -2.535 18.218 395 HA ALA 54 HA ALA 54 11.650 -3.465 18.374 396 1HB ALA 54 HB1 ALA 54 12.269 -1.527 17.022 397 2HB ALA 54 HB2 ALA 54 11.438 -2.739 16.047 398 3HB ALA 54 HB3 ALA 54 13.190 -2.568 15.937 399 H THR 55 HN THR 55 14.462 -4.645 16.548 400 HA THR 55 HA THR 55 13.087 -6.857 15.399 401 HB THR 55 HB THR 55 15.452 -7.671 14.920 402 HG1 THR 55 HG1 THR 55 17.132 -6.282 15.423 403 1HG2 THR 55 HG21 THR 55 14.166 -6.365 13.293 404 2HG2 THR 55 HG22 THR 55 15.878 -5.942 13.237 405 3HG2 THR 55 HG23 THR 55 14.731 -4.871 14.042 406 H ARG 56 HN ARG 56 15.257 -6.436 18.154 407 HA ARG 56 HA ARG 56 15.356 -9.102 19.013 408 1HB ARG 56 HB2 ARG 56 15.638 -6.496 20.506 409 2HB ARG 56 HB1 ARG 56 15.885 -8.061 21.270 410 1HG ARG 56 HG2 ARG 56 17.708 -8.557 19.777 411 2HG ARG 56 HG1 ARG 56 17.414 -7.070 18.875 412 1HD ARG 56 HD2 ARG 56 19.323 -6.981 20.507 413 2HD ARG 56 HD1 ARG 56 18.107 -5.721 20.697 414 HE ARG 56 HE ARG 56 17.660 -6.523 22.783 415 1HH1 ARG 56 HH11 ARG 56 19.337 -9.037 20.994 416 2HH1 ARG 56 HH12 ARG 56 19.492 -10.088 22.372 417 1HH2 ARG 56 HH21 ARG 56 17.855 -7.906 24.591 418 2HH2 ARG 56 HH22 ARG 56 18.631 -9.453 24.409 419 H HIS 57 HN HIS 57 12.940 -6.625 19.450 420 HA HIS 57 HA HIS 57 11.485 -7.793 21.552 421 1HB HIS 57 HB2 HIS 57 11.102 -5.487 20.886 422 2HB HIS 57 HB1 HIS 57 10.555 -6.003 19.295 423 HD1 HIS 57 HD1 HIS 57 9.466 -6.079 22.931 424 HD2 HIS 57 HD2 HIS 57 7.925 -6.671 19.110 425 HE1 HIS 57 HE1 HIS 57 6.961 -6.307 23.195 426 H PHE 58 HN PHE 58 11.334 -8.226 18.052 427 HA PHE 58 HA PHE 58 9.059 -9.898 18.025 428 1HB PHE 58 HB2 PHE 58 9.783 -8.872 15.975 429 2HB PHE 58 HB1 PHE 58 11.367 -9.630 16.093 430 HD1 PHE 58 HD1 PHE 58 7.817 -10.806 16.199 431 HD2 PHE 58 HD2 PHE 58 11.709 -11.274 14.568 432 HE1 PHE 58 HE1 PHE 58 7.017 -12.699 14.848 433 HE2 PHE 58 HE2 PHE 58 10.918 -13.165 13.208 434 HZ PHE 58 HZ PHE 58 8.569 -13.882 13.349 435 H HIS 59 HN HIS 59 12.478 -10.507 18.481 436 HA HIS 59 HA HIS 59 12.311 -13.342 18.362 437 1HB HIS 59 HB2 HIS 59 14.425 -12.134 18.024 438 2HB HIS 59 HB1 HIS 59 14.375 -11.566 19.688 439 HD1 HIS 59 HD1 HIS 59 14.690 -14.791 17.729 440 HD2 HIS 59 HD2 HIS 59 15.528 -13.259 21.503 441 HE1 HIS 59 HE1 HIS 59 16.008 -16.579 18.910 442 HE2 HIS 59 HE2 HIS 59 16.309 -15.715 21.254 443 H ALA 60 HN ALA 60 11.716 -10.979 20.825 444 HA ALA 60 HA ALA 60 11.811 -12.897 22.989 445 1HB ALA 60 HB1 ALA 60 12.578 -10.623 23.377 446 2HB ALA 60 HB2 ALA 60 11.200 -11.002 24.410 447 3HB ALA 60 HB3 ALA 60 10.977 -10.002 22.975 448 H THR 61 HN THR 61 9.289 -10.884 21.462 449 HA THR 61 HA THR 61 7.260 -12.288 23.016 450 HB THR 61 HB THR 61 5.685 -10.633 21.900 451 HG1 THR 61 HG1 THR 61 8.190 -9.540 21.073 452 1HG2 THR 61 HG21 THR 61 6.529 -10.339 24.192 453 2HG2 THR 61 HG22 THR 61 6.325 -8.794 23.364 454 3HG2 THR 61 HG23 THR 61 7.937 -9.488 23.556 455 H GLY 62 HN GLY 62 8.225 -11.864 19.645 456 1HA GLY 62 HA2 GLY 62 7.715 -13.349 17.890 457 2HA GLY 62 HA1 GLY 62 6.454 -14.060 18.890 458 H HIS 63 HN HIS 63 6.920 -10.633 18.277 459 HA HIS 63 HA HIS 63 4.247 -10.559 17.048 460 1HB HIS 63 HB2 HIS 63 5.817 -8.369 18.438 461 2HB HIS 63 HB1 HIS 63 4.256 -8.138 17.662 462 HD2 HIS 63 HD2 HIS 63 3.620 -11.314 19.300 463 HE1 HIS 63 HE1 HIS 63 3.081 -8.437 22.364 464 HE2 HIS 63 HE2 HIS 63 2.898 -10.905 21.762 465 HA PRO 64 HA PRO 64 6.982 -10.021 13.570 466 1HB PRO 64 HB2 PRO 64 5.331 -10.884 11.662 467 2HB PRO 64 HB1 PRO 64 5.977 -11.981 12.888 468 1HG PRO 64 HG2 PRO 64 3.281 -10.696 12.728 469 2HG PRO 64 HG1 PRO 64 3.704 -12.355 13.188 470 1HD PRO 64 HD2 PRO 64 3.170 -10.314 14.974 471 2HD PRO 64 HD1 PRO 64 4.114 -11.766 15.354 472 H ILE 65 HN ILE 65 4.417 -7.939 14.240 473 HA ILE 65 HA ILE 65 4.907 -6.505 11.715 474 HB ILE 65 HB ILE 65 2.263 -6.700 13.157 475 1HG1 ILE 65 HG12 ILE 65 3.200 -7.661 10.442 476 2HG1 ILE 65 HG11 ILE 65 2.778 -8.671 11.820 477 1HG2 ILE 65 HG21 ILE 65 1.386 -5.301 11.327 478 2HG2 ILE 65 HG22 ILE 65 3.031 -5.079 10.728 479 3HG2 ILE 65 HG23 ILE 65 2.575 -4.447 12.310 480 1HD1 ILE 65 HD11 ILE 65 1.015 -8.657 10.154 481 2HD1 ILE 65 HD12 ILE 65 0.888 -6.903 10.286 482 3HD1 ILE 65 HD13 ILE 65 0.465 -7.924 11.660 483 H ILE 66 HN ILE 66 5.652 -4.559 11.870 484 HA ILE 66 HA ILE 66 5.133 -2.982 14.303 485 HB ILE 66 HB ILE 66 7.382 -1.942 14.000 486 1HG1 ILE 66 HG12 ILE 66 7.838 -4.266 12.114 487 2HG1 ILE 66 HG11 ILE 66 7.690 -2.581 11.627 488 1HG2 ILE 66 HG21 ILE 66 7.369 -4.910 14.519 489 2HG2 ILE 66 HG22 ILE 66 7.010 -3.646 15.694 490 3HG2 ILE 66 HG23 ILE 66 8.633 -3.785 15.016 491 1HD1 ILE 66 HD11 ILE 66 10.007 -3.285 11.676 492 2HD1 ILE 66 HD12 ILE 66 9.850 -3.732 13.375 493 3HD1 ILE 66 HD13 ILE 66 9.705 -2.042 12.891 494 H GLU 67 HN GLU 67 5.240 -0.661 13.951 495 HA GLU 67 HA GLU 67 4.630 0.104 11.173 496 1HB GLU 67 HB2 GLU 67 2.588 -0.065 12.534 497 2HB GLU 67 HB1 GLU 67 3.275 1.039 13.712 498 1HG GLU 67 HG2 GLU 67 3.156 2.862 12.198 499 2HG GLU 67 HG1 GLU 67 2.758 1.793 10.851 500 H GLY 68 HN GLY 68 5.213 2.244 10.579 501 1HA GLY 68 HA2 GLY 68 7.590 3.219 11.837 502 2HA GLY 68 HA1 GLY 68 6.735 3.977 10.501 503 H TYR 69 HN TYR 69 7.514 4.199 13.763 504 HA TYR 69 HA TYR 69 5.198 5.858 14.415 505 1HB TYR 69 HB2 TYR 69 6.099 4.037 15.967 506 2HB TYR 69 HB1 TYR 69 7.454 5.116 16.274 507 HD1 TYR 69 HD1 TYR 69 3.975 6.257 15.785 508 HD2 TYR 69 HD2 TYR 69 7.055 5.438 18.600 509 HE1 TYR 69 HE1 TYR 69 2.660 7.371 17.538 510 HE2 TYR 69 HE2 TYR 69 5.751 6.554 20.359 511 HH TYR 69 HH TYR 69 3.994 8.053 20.682 512 H ASP 70 HN ASP 70 8.706 6.047 14.087 513 HA ASP 70 HA ASP 70 8.866 8.805 14.796 514 1HB ASP 70 HB2 ASP 70 10.839 7.410 15.004 515 2HB ASP 70 HB1 ASP 70 10.825 7.062 13.286 516 HA PRO 71 HA PRO 71 7.963 9.648 10.292 517 1HB PRO 71 HB2 PRO 71 8.130 7.664 8.413 518 2HB PRO 71 HB1 PRO 71 9.495 8.680 8.880 519 1HG PRO 71 HG2 PRO 71 9.121 5.860 9.345 520 2HG PRO 71 HG1 PRO 71 10.528 6.861 9.731 521 1HD PRO 71 HD2 PRO 71 8.314 5.980 11.475 522 2HD PRO 71 HD1 PRO 71 9.949 6.510 11.903 523 HA PRO 72 HA PRO 72 4.084 7.423 11.385 524 1HB PRO 72 HB2 PRO 72 2.807 9.995 11.638 525 2HB PRO 72 HB1 PRO 72 3.220 8.845 12.909 526 1HG PRO 72 HG2 PRO 72 4.417 11.290 12.616 527 2HG PRO 72 HG1 PRO 72 5.188 9.897 13.395 528 1HD PRO 72 HD2 PRO 72 5.533 10.947 10.611 529 2HD PRO 72 HD1 PRO 72 6.756 10.325 11.742 530 H GLU 73 HN GLU 73 4.772 7.556 8.741 531 HA GLU 73 HA GLU 73 2.754 8.999 7.252 532 1HB GLU 73 HB2 GLU 73 4.836 7.008 6.331 533 2HB GLU 73 HB1 GLU 73 3.860 8.034 5.286 534 1HG GLU 73 HG2 GLU 73 4.923 10.004 6.100 535 2HG GLU 73 HG1 GLU 73 5.749 9.099 7.368 536 H GLY 74 HN GLY 74 2.789 6.184 8.965 537 1HA GLY 74 HA2 GLY 74 1.108 4.618 9.204 538 2HA GLY 74 HA1 GLY 74 0.286 5.346 7.832 539 H TRP 75 HN TRP 75 3.167 3.398 8.571 540 HA TRP 75 HA TRP 75 2.406 1.614 6.398 541 1HB TRP 75 HB2 TRP 75 4.813 1.485 5.657 542 2HB TRP 75 HB1 TRP 75 3.998 2.996 5.276 543 HD1 TRP 75 HD1 TRP 75 4.839 5.198 6.534 544 HE1 TRP 75 HE1 TRP 75 7.020 5.738 7.787 545 HE3 TRP 75 HE3 TRP 75 6.603 0.438 7.180 546 HZ2 TRP 75 HZ2 TRP 75 9.199 4.332 8.899 547 HZ3 TRP 75 HZ3 TRP 75 8.747 0.126 8.349 548 HH2 TRP 75 HH2 TRP 75 10.015 2.035 9.188 549 H GLY 76 HN GLY 76 3.011 -0.511 6.684 550 1HA GLY 76 HA2 GLY 76 4.064 -1.092 9.384 551 2HA GLY 76 HA1 GLY 76 2.772 -2.015 8.635 552 H TRP 77 HN TRP 77 5.598 -2.566 9.636 553 HA TRP 77 HA TRP 77 6.603 -3.927 7.223 554 1HB TRP 77 HB2 TRP 77 8.201 -2.329 8.168 555 2HB TRP 77 HB1 TRP 77 8.063 -3.096 9.746 556 HD1 TRP 77 HD1 TRP 77 9.690 -5.052 10.247 557 HE1 TRP 77 HE1 TRP 77 11.486 -6.308 8.892 558 HE3 TRP 77 HE3 TRP 77 8.679 -3.155 5.609 559 HZ2 TRP 77 HZ2 TRP 77 12.346 -6.476 6.212 560 HZ3 TRP 77 HZ3 TRP 77 10.035 -3.915 3.702 561 HH2 TRP 77 HH2 TRP 77 11.831 -5.541 3.999 562 H CYS 78 HN CYS 78 6.621 -6.095 7.211 563 HA CYS 78 HA CYS 78 5.926 -7.467 9.730 564 1HB CYS 78 HB2 CYS 78 4.383 -7.533 7.616 565 2HB CYS 78 HB1 CYS 78 5.559 -8.687 7.011 566 H TYR 79 HN TYR 79 7.581 -8.523 10.613 567 HA TYR 79 HA TYR 79 10.127 -8.584 9.533 568 1HB TYR 79 HB2 TYR 79 8.900 -10.209 11.748 569 2HB TYR 79 HB1 TYR 79 10.608 -10.308 11.338 570 HD1 TYR 79 HD1 TYR 79 11.910 -8.063 11.320 571 HD2 TYR 79 HD2 TYR 79 8.180 -8.623 13.284 572 HE1 TYR 79 HE1 TYR 79 12.385 -6.128 12.758 573 HE2 TYR 79 HE2 TYR 79 8.642 -6.686 14.727 574 HH TYR 79 HH TYR 79 10.734 -5.478 15.560 575 H VAL 80 HN VAL 80 8.134 -11.516 10.036 576 HA VAL 80 HA VAL 80 9.961 -13.178 8.678 577 HB VAL 80 HB VAL 80 8.112 -14.877 8.678 578 1HG1 VAL 80 HG11 VAL 80 9.690 -14.786 10.496 579 2HG1 VAL 80 HG12 VAL 80 8.080 -15.097 11.146 580 3HG1 VAL 80 HG13 VAL 80 8.784 -13.484 11.266 581 1HG2 VAL 80 HG21 VAL 80 6.225 -13.312 8.531 582 2HG2 VAL 80 HG22 VAL 80 6.601 -12.719 10.149 583 3HG2 VAL 80 HG23 VAL 80 6.081 -14.388 9.920 584 H ASP 81 HN ASP 81 7.503 -11.129 7.483 585 HA ASP 81 HA ASP 81 7.227 -12.552 4.958 586 1HB ASP 81 HB2 ASP 81 6.107 -9.858 5.762 587 2HB ASP 81 HB1 ASP 81 5.653 -10.792 4.346 588 H GLU 82 HN GLU 82 8.767 -9.746 6.326 589 HA GLU 82 HA GLU 82 10.256 -8.228 5.588 590 1HB GLU 82 HB2 GLU 82 10.741 -10.271 3.413 591 2HB GLU 82 HB1 GLU 82 11.714 -8.823 3.645 592 1HG GLU 82 HG2 GLU 82 12.169 -9.637 5.981 593 2HG GLU 82 HG1 GLU 82 11.417 -11.160 5.509 594 H VAL 83 HN VAL 83 7.482 -8.201 4.779 595 HA VAL 83 HA VAL 83 7.672 -6.628 2.306 596 HB VAL 83 HB VAL 83 5.292 -6.953 1.995 597 1HG1 VAL 83 HG11 VAL 83 6.702 -9.554 2.565 598 2HG1 VAL 83 HG12 VAL 83 6.760 -8.638 1.059 599 3HG1 VAL 83 HG13 VAL 83 5.245 -9.371 1.588 600 1HG2 VAL 83 HG21 VAL 83 4.582 -7.001 4.325 601 2HG2 VAL 83 HG22 VAL 83 5.356 -8.571 4.541 602 3HG2 VAL 83 HG23 VAL 83 3.972 -8.411 3.458 603 H MET 84 HN MET 84 6.739 -4.591 2.224 604 HA MET 84 HA MET 84 5.896 -3.462 4.809 605 1HB MET 84 HB2 MET 84 8.096 -2.597 4.018 606 2HB MET 84 HB1 MET 84 7.307 -2.008 2.563 607 1HG MET 84 HG2 MET 84 6.002 -0.451 3.814 608 2HG MET 84 HG1 MET 84 6.554 -1.140 5.340 609 1HE MET 84 HE1 MET 84 9.330 1.143 2.441 610 2HE MET 84 HE2 MET 84 7.628 0.819 2.110 611 3HE MET 84 HE3 MET 84 8.787 -0.511 2.154 612 H PHE 85 HN PHE 85 3.889 -2.711 4.850 613 HA PHE 85 HA PHE 85 2.567 -2.146 2.284 614 1HB PHE 85 HB2 PHE 85 0.475 -3.132 3.349 615 2HB PHE 85 HB1 PHE 85 1.729 -4.275 2.885 616 HD1 PHE 85 HD1 PHE 85 -0.008 -2.688 5.686 617 HD2 PHE 85 HD2 PHE 85 2.975 -5.501 4.546 618 HE1 PHE 85 HE1 PHE 85 -0.003 -3.604 7.968 619 HE2 PHE 85 HE2 PHE 85 2.987 -6.421 6.828 620 HZ PHE 85 HZ PHE 85 1.496 -5.472 8.542 621 H ASP 86 HN ASP 86 0.468 -0.934 2.615 622 HA ASP 86 HA ASP 86 1.112 1.398 4.209 623 1HB ASP 86 HB2 ASP 86 0.337 1.817 1.979 624 2HB ASP 86 HB1 ASP 86 -1.089 0.815 2.226 625 H LEU 87 HN LEU 87 0.124 2.078 5.990 626 HA LEU 87 HA LEU 87 -2.317 0.715 6.893 627 1HB LEU 87 HB2 LEU 87 0.217 1.158 8.455 628 2HB LEU 87 HB1 LEU 87 -1.328 0.946 9.252 629 HG LEU 87 HG LEU 87 -0.007 -1.079 7.442 630 1HD1 LEU 87 HD11 LEU 87 1.163 -0.808 9.570 631 2HD1 LEU 87 HD12 LEU 87 0.329 -2.359 9.493 632 3HD1 LEU 87 HD13 LEU 87 -0.355 -1.037 10.439 633 1HD2 LEU 87 HD21 LEU 87 -1.780 -2.580 8.224 634 2HD2 LEU 87 HD22 LEU 87 -2.440 -1.200 7.347 635 3HD2 LEU 87 HD23 LEU 87 -2.518 -1.244 9.108 636 H SER 88 HN SER 88 -1.557 3.386 5.675 637 HA SER 88 HA SER 88 -1.523 5.407 7.595 638 1HB SER 88 HB2 SER 88 -0.952 5.805 5.254 639 2HB SER 88 HB1 SER 88 -2.620 5.494 4.776 640 HG SER 88 HG SER 88 -2.995 7.510 5.160 641 H ASP 89 HN ASP 89 -4.236 3.634 6.244 642 HA ASP 89 HA ASP 89 -6.137 5.460 7.521 643 1HB ASP 89 HB2 ASP 89 -6.718 3.023 5.824 644 2HB ASP 89 HB1 ASP 89 -7.864 4.268 6.309 645 H ARG 90 HN ARG 90 -4.306 3.103 8.620 646 HA ARG 90 HA ARG 90 -6.319 2.158 10.542 647 1HB ARG 90 HB2 ARG 90 -4.377 0.432 8.993 648 2HB ARG 90 HB1 ARG 90 -5.218 -0.116 10.434 649 1HG ARG 90 HG2 ARG 90 -7.347 0.109 9.332 650 2HG ARG 90 HG1 ARG 90 -6.571 0.807 7.908 651 1HD ARG 90 HD2 ARG 90 -7.144 -1.598 7.654 652 2HD ARG 90 HD1 ARG 90 -5.429 -1.250 7.447 653 HE ARG 90 HE ARG 90 -5.320 -1.970 9.925 654 1HH1 ARG 90 HH11 ARG 90 -7.494 -3.328 7.538 655 2HH1 ARG 90 HH12 ARG 90 -7.515 -4.903 8.273 656 1HH2 ARG 90 HH21 ARG 90 -5.354 -4.021 10.892 657 2HH2 ARG 90 HH22 ARG 90 -6.316 -5.293 10.196 658 H MET 91 HN MET 91 -3.942 4.068 10.435 659 HA MET 91 HA MET 91 -1.751 2.755 11.697 660 1HB MET 91 HB2 MET 91 -0.704 4.955 11.769 661 2HB MET 91 HB1 MET 91 -1.404 4.642 10.188 662 1HG MET 91 HG2 MET 91 -3.284 6.060 10.691 663 2HG MET 91 HG1 MET 91 -2.700 6.300 12.337 664 1HE MET 91 HE1 MET 91 0.585 8.338 11.754 665 2HE MET 91 HE2 MET 91 0.408 6.592 11.929 666 3HE MET 91 HE3 MET 91 -0.524 7.680 12.957 667 H THR 92 HN THR 92 -0.703 3.704 13.644 668 HA THR 92 HA THR 92 -2.596 3.633 15.845 669 HB THR 92 HB THR 92 0.407 3.892 16.016 670 HG1 THR 92 HG1 THR 92 0.057 2.087 14.759 671 1HG2 THR 92 HG21 THR 92 0.099 2.736 18.150 672 2HG2 THR 92 HG22 THR 92 -1.641 2.671 17.869 673 3HG2 THR 92 HG23 THR 92 -0.841 4.227 18.096 674 HA PRO 93 HA PRO 93 -2.409 8.114 16.334 675 1HB PRO 93 HB2 PRO 93 -3.759 8.203 18.697 676 2HB PRO 93 HB1 PRO 93 -4.563 8.037 17.133 677 1HG PRO 93 HG2 PRO 93 -3.914 5.942 19.165 678 2HG PRO 93 HG1 PRO 93 -5.377 6.136 18.183 679 1HD PRO 93 HD2 PRO 93 -3.422 4.347 17.587 680 2HD PRO 93 HD1 PRO 93 -4.434 5.119 16.350 681 H HIS 94 HN HIS 94 -0.594 9.073 17.027 682 HA HIS 94 HA HIS 94 1.186 7.892 18.853 683 1HB HIS 94 HB2 HIS 94 2.473 9.944 18.748 684 2HB HIS 94 HB1 HIS 94 1.895 9.528 17.143 685 HD1 HIS 94 HD1 HIS 94 0.300 11.169 15.994 686 HD2 HIS 94 HD2 HIS 94 1.362 12.289 19.859 687 HE1 HIS 94 HE1 HIS 94 -0.455 13.558 16.243 688 HE2 HIS 94 HE2 HIS 94 0.141 14.196 18.612 689 H ASN 95 HN ASN 95 1.728 8.370 20.986 690 HA ASN 95 HA ASN 95 -0.611 9.134 22.528 691 1HB ASN 95 HB2 ASN 95 0.513 8.157 24.438 692 2HB ASN 95 HB1 ASN 95 0.600 7.052 23.073 693 1HD2 ASN 95 HD21 ASN 95 2.248 7.165 25.434 694 2HD2 ASN 95 HD22 ASN 95 3.872 7.391 24.893 695 H GLY 96 HN GLY 96 2.624 10.331 21.921 696 1HA GLY 96 HA2 GLY 96 1.886 12.870 23.089 697 2HA GLY 96 HA1 GLY 96 3.155 12.015 23.954 698 HA PRO 97 HA PRO 97 5.135 14.520 20.569 699 1HB PRO 97 HB2 PRO 97 6.849 15.881 22.147 700 2HB PRO 97 HB1 PRO 97 5.192 16.428 21.865 701 1HG PRO 97 HG2 PRO 97 6.321 14.937 24.204 702 2HG PRO 97 HG1 PRO 97 5.201 16.312 24.190 703 1HD PRO 97 HD2 PRO 97 4.383 13.744 24.523 704 2HD PRO 97 HD1 PRO 97 3.378 14.983 23.744 705 H ILE 98 HN ILE 98 7.030 13.955 19.604 706 HA ILE 98 HA ILE 98 8.776 12.094 21.077 707 HB ILE 98 HB ILE 98 8.094 12.088 18.129 708 1HG1 ILE 98 HG12 ILE 98 7.485 10.098 20.328 709 2HG1 ILE 98 HG11 ILE 98 6.322 11.179 19.569 710 1HG2 ILE 98 HG21 ILE 98 10.427 11.483 18.475 711 2HG2 ILE 98 HG22 ILE 98 9.486 10.075 17.986 712 3HG2 ILE 98 HG23 ILE 98 9.952 10.280 19.674 713 1HD1 ILE 98 HD11 ILE 98 7.821 8.957 18.205 714 2HD1 ILE 98 HD12 ILE 98 6.658 10.039 17.438 715 3HD1 ILE 98 HD13 ILE 98 6.129 8.927 18.700 716 HA PRO 99 HA PRO 99 11.940 15.191 20.352 717 1HB PRO 99 HB2 PRO 99 13.721 12.891 20.932 718 2HB PRO 99 HB1 PRO 99 13.656 14.483 21.695 719 1HG PRO 99 HG2 PRO 99 12.738 12.320 22.956 720 2HG PRO 99 HG1 PRO 99 11.916 13.886 23.103 721 1HD PRO 99 HD2 PRO 99 11.177 11.500 21.452 722 2HD PRO 99 HD1 PRO 99 10.131 12.602 22.371 723 H ARG 100 HN ARG 100 12.135 15.642 18.260 724 HA ARG 100 HA ARG 100 12.610 13.623 16.268 725 1HB ARG 100 HB2 ARG 100 11.163 15.635 15.930 726 2HB ARG 100 HB1 ARG 100 12.598 16.640 16.008 727 1HG ARG 100 HG2 ARG 100 12.384 14.459 13.973 728 2HG ARG 100 HG1 ARG 100 11.601 16.016 13.713 729 1HD ARG 100 HD2 ARG 100 14.539 15.535 14.191 730 2HD ARG 100 HD1 ARG 100 13.785 15.984 12.662 731 HE ARG 100 HE ARG 100 13.065 17.982 14.388 732 1HH1 ARG 100 HH11 ARG 100 16.082 16.615 13.244 733 2HH1 ARG 100 HH12 ARG 100 17.007 18.055 13.558 734 1HH2 ARG 100 HH21 ARG 100 14.260 19.911 14.724 735 2HH2 ARG 100 HH22 ARG 100 15.962 19.945 14.359 736 H TYR 101 HN TYR 101 14.581 12.760 16.061 737 HA TYR 101 HA TYR 101 16.920 14.473 16.497 738 1HB TYR 101 HB2 TYR 101 16.667 11.468 16.321 739 2HB TYR 101 HB1 TYR 101 18.202 12.316 16.469 740 HD1 TYR 101 HD1 TYR 101 18.419 13.916 18.530 741 HD2 TYR 101 HD2 TYR 101 15.554 10.785 18.235 742 HE1 TYR 101 HE1 TYR 101 18.195 13.897 20.980 743 HE2 TYR 101 HE2 TYR 101 15.321 10.760 20.681 744 HH TYR 101 HH TYR 101 16.622 11.392 22.659 745 H VAL 102 HN VAL 102 15.160 12.865 14.009 746 HA VAL 102 HA VAL 102 17.350 13.180 12.106 747 HB VAL 102 HB VAL 102 15.656 12.102 10.495 748 1HG1 VAL 102 HG11 VAL 102 17.599 10.946 11.413 749 2HG1 VAL 102 HG12 VAL 102 16.212 9.863 11.303 750 3HG1 VAL 102 HG13 VAL 102 16.681 10.539 12.863 751 1HG2 VAL 102 HG21 VAL 102 13.919 10.737 11.561 752 2HG2 VAL 102 HG22 VAL 102 13.648 12.456 11.848 753 3HG2 VAL 102 HG23 VAL 102 14.322 11.444 13.126 Start of MODEL 15 1 1H MET 1 HT1 MET 1 5.252 0.972 0.542 2 2H MET 1 HT2 MET 1 4.294 2.165 1.275 3 3H MET 1 HT3 MET 1 4.537 2.184 -0.406 4 HA MET 1 HA MET 1 3.102 0.102 1.129 5 1HB MET 1 HB2 MET 1 1.106 0.927 -0.123 6 2HB MET 1 HB1 MET 1 1.759 2.096 1.015 7 1HG MET 1 HG2 MET 1 2.864 3.265 -0.824 8 2HG MET 1 HG1 MET 1 2.198 2.094 -1.962 9 1HE MET 1 HE1 MET 1 1.249 4.176 -3.368 10 2HE MET 1 HE2 MET 1 1.884 5.295 -2.162 11 3HE MET 1 HE3 MET 1 0.201 5.413 -2.676 12 H THR 2 HN THR 2 3.665 -1.762 0.261 13 HA THR 2 HA THR 2 3.814 -1.950 -2.672 14 HB THR 2 HB THR 2 4.966 -3.863 -0.632 15 HG1 THR 2 HG1 THR 2 6.159 -1.732 -2.121 16 1HG2 THR 2 HG21 THR 2 4.501 -4.896 -2.797 17 2HG2 THR 2 HG22 THR 2 6.239 -4.731 -2.547 18 3HG2 THR 2 HG23 THR 2 5.391 -3.611 -3.614 19 H MET 3 HN MET 3 3.054 -4.133 0.052 20 HA MET 3 HA MET 3 0.492 -4.801 -1.090 21 1HB MET 3 HB2 MET 3 2.031 -6.209 -2.414 22 2HB MET 3 HB1 MET 3 2.675 -6.893 -0.929 23 1HG MET 3 HG2 MET 3 0.468 -7.824 -0.413 24 2HG MET 3 HG1 MET 3 -0.152 -7.162 -1.924 25 1HE MET 3 HE1 MET 3 -0.047 -11.011 -2.643 26 2HE MET 3 HE2 MET 3 -1.049 -9.560 -2.610 27 3HE MET 3 HE3 MET 3 -0.427 -10.236 -1.105 28 H GLY 4 HN GLY 4 -0.899 -5.527 0.446 29 1HA GLY 4 HA2 GLY 4 0.045 -5.732 3.179 30 2HA GLY 4 HA1 GLY 4 -1.623 -5.867 2.632 31 H CYS 5 HN CYS 5 -1.144 -7.649 4.448 32 HA CYS 5 HA CYS 5 -1.056 -10.134 2.967 33 1HB CYS 5 HB2 CYS 5 0.667 -11.172 4.292 34 2HB CYS 5 HB1 CYS 5 1.316 -9.695 3.592 35 H ARG 6 HN ARG 6 -1.586 -12.021 4.478 36 HA ARG 6 HA ARG 6 -4.036 -11.472 5.704 37 1HB ARG 6 HB2 ARG 6 -4.020 -13.792 6.442 38 2HB ARG 6 HB1 ARG 6 -3.446 -13.667 4.786 39 1HG ARG 6 HG2 ARG 6 -1.099 -13.706 5.773 40 2HG ARG 6 HG1 ARG 6 -1.870 -14.226 7.272 41 1HD ARG 6 HD2 ARG 6 -2.059 -15.615 4.602 42 2HD ARG 6 HD1 ARG 6 -1.078 -16.134 5.970 43 HE ARG 6 HE ARG 6 -3.417 -16.201 7.127 44 1HH1 ARG 6 HH11 ARG 6 -2.637 -17.132 3.834 45 2HH1 ARG 6 HH12 ARG 6 -3.892 -18.329 3.747 46 1HH2 ARG 6 HH21 ARG 6 -5.064 -17.808 6.998 47 2HH2 ARG 6 HH22 ARG 6 -5.271 -18.699 5.516 48 H HIS 7 HN HIS 7 -0.834 -11.422 7.024 49 HA HIS 7 HA HIS 7 -1.433 -11.675 9.759 50 1HB HIS 7 HB2 HIS 7 0.784 -10.123 8.413 51 2HB HIS 7 HB1 HIS 7 0.703 -10.456 10.138 52 HD2 HIS 7 HD2 HIS 7 0.142 -13.592 10.190 53 HE1 HIS 7 HE1 HIS 7 3.472 -13.843 7.590 54 HE2 HIS 7 HE2 HIS 7 1.817 -15.170 8.983 55 H VAL 8 HN VAL 8 -1.944 -9.067 7.541 56 HA VAL 8 HA VAL 8 -1.909 -6.919 9.376 57 HB VAL 8 HB VAL 8 -1.987 -6.958 6.712 58 1HG1 VAL 8 HG11 VAL 8 -4.300 -7.778 6.592 59 2HG1 VAL 8 HG12 VAL 8 -4.105 -6.196 5.837 60 3HG1 VAL 8 HG13 VAL 8 -4.837 -6.324 7.437 61 1HG2 VAL 8 HG21 VAL 8 -1.412 -5.036 8.068 62 2HG2 VAL 8 HG22 VAL 8 -3.117 -4.749 8.416 63 3HG2 VAL 8 HG23 VAL 8 -2.511 -4.567 6.770 64 H ALA 9 HN ALA 9 -4.322 -9.307 8.590 65 HA ALA 9 HA ALA 9 -6.513 -7.926 9.813 66 1HB ALA 9 HB1 ALA 9 -7.723 -9.998 9.566 67 2HB ALA 9 HB2 ALA 9 -6.225 -10.874 9.254 68 3HB ALA 9 HB3 ALA 9 -6.805 -9.678 8.094 69 H GLY 10 HN GLY 10 -3.763 -9.100 11.127 70 1HA GLY 10 HA2 GLY 10 -5.096 -9.943 13.621 71 2HA GLY 10 HA1 GLY 10 -3.500 -10.486 13.123 72 H ILE 11 HN ILE 11 -3.984 -7.214 12.424 73 HA ILE 11 HA ILE 11 -2.448 -6.465 14.810 74 HB ILE 11 HB ILE 11 -1.960 -4.343 13.664 75 1HG1 ILE 11 HG12 ILE 11 -3.441 -5.599 11.343 76 2HG1 ILE 11 HG11 ILE 11 -3.979 -4.209 12.276 77 1HG2 ILE 11 HG21 ILE 11 -1.286 -6.803 12.056 78 2HG2 ILE 11 HG22 ILE 11 -0.412 -6.202 13.466 79 3HG2 ILE 11 HG23 ILE 11 -0.439 -5.258 11.977 80 1HD1 ILE 11 HD11 ILE 11 -1.475 -4.289 10.615 81 2HD1 ILE 11 HD12 ILE 11 -2.163 -2.884 11.433 82 3HD1 ILE 11 HD13 ILE 11 -3.022 -3.632 10.083 83 H ARG 12 HN ARG 12 -3.019 -4.598 16.009 84 HA ARG 12 HA ARG 12 -5.829 -3.794 15.745 85 1HB ARG 12 HB2 ARG 12 -6.009 -3.938 18.244 86 2HB ARG 12 HB1 ARG 12 -5.847 -5.491 17.435 87 1HG ARG 12 HG2 ARG 12 -3.359 -5.311 17.941 88 2HG ARG 12 HG1 ARG 12 -3.796 -3.997 19.034 89 1HD ARG 12 HD2 ARG 12 -3.631 -6.086 20.251 90 2HD ARG 12 HD1 ARG 12 -5.300 -5.517 20.237 91 HE ARG 12 HE ARG 12 -5.648 -7.170 18.390 92 1HH1 ARG 12 HH11 ARG 12 -3.065 -7.619 20.725 93 2HH1 ARG 12 HH12 ARG 12 -3.049 -9.344 20.550 94 1HH2 ARG 12 HH21 ARG 12 -5.627 -9.452 18.185 95 2HH2 ARG 12 HH22 ARG 12 -4.483 -10.383 19.115 96 H THR 13 HN THR 13 -6.328 -1.755 16.788 97 HA THR 13 HA THR 13 -4.181 0.138 16.675 98 HB THR 13 HB THR 13 -6.987 0.513 17.754 99 HG1 THR 13 HG1 THR 13 -7.553 0.525 15.713 100 1HG2 THR 13 HG21 THR 13 -5.423 2.265 18.482 101 2HG2 THR 13 HG22 THR 13 -6.592 2.894 17.322 102 3HG2 THR 13 HG23 THR 13 -4.945 2.534 16.806 103 H VAL 14 HN VAL 14 -2.673 0.117 18.170 104 HA VAL 14 HA VAL 14 -3.324 -0.874 20.841 105 HB VAL 14 HB VAL 14 -0.846 -1.181 21.045 106 1HG1 VAL 14 HG11 VAL 14 -0.737 -3.109 19.549 107 2HG1 VAL 14 HG12 VAL 14 -2.163 -2.522 18.692 108 3HG1 VAL 14 HG13 VAL 14 -2.291 -3.020 20.379 109 1HG2 VAL 14 HG21 VAL 14 -0.869 -0.407 18.127 110 2HG2 VAL 14 HG22 VAL 14 0.515 -1.047 19.014 111 3HG2 VAL 14 HG23 VAL 14 -0.152 0.531 19.437 112 H THR 15 HN THR 15 -1.733 0.052 22.568 113 HA THR 15 HA THR 15 -1.856 2.992 22.383 114 HB THR 15 HB THR 15 -1.722 1.272 24.872 115 HG1 THR 15 HG1 THR 15 -3.781 1.784 23.265 116 1HG2 THR 15 HG21 THR 15 -2.261 4.226 24.524 117 2HG2 THR 15 HG22 THR 15 -0.787 3.515 25.181 118 3HG2 THR 15 HG23 THR 15 -2.312 3.342 26.049 119 HA PRO 16 HA PRO 16 2.610 2.854 22.213 120 1HB PRO 16 HB2 PRO 16 2.391 5.694 22.990 121 2HB PRO 16 HB1 PRO 16 3.128 4.975 21.555 122 1HG PRO 16 HG2 PRO 16 0.816 6.317 21.409 123 2HG PRO 16 HG1 PRO 16 1.125 4.887 20.406 124 1HD PRO 16 HD2 PRO 16 -0.508 5.137 22.902 125 2HD PRO 16 HD1 PRO 16 -0.846 4.218 21.419 126 H SER 17 HN SER 17 3.812 2.074 23.806 127 HA SER 17 HA SER 17 3.272 2.355 26.548 128 1HB SER 17 HB2 SER 17 5.967 1.668 25.368 129 2HB SER 17 HB1 SER 17 5.284 1.126 26.901 130 HG SER 17 HG SER 17 3.564 0.176 25.430 131 H ALA 18 HN ALA 18 5.159 4.245 24.336 132 HA ALA 18 HA ALA 18 5.487 6.369 26.227 133 1HB ALA 18 HB1 ALA 18 7.376 5.012 26.913 134 2HB ALA 18 HB2 ALA 18 7.956 6.451 26.073 135 3HB ALA 18 HB3 ALA 18 7.933 4.894 25.244 136 H LEU 19 HN LEU 19 6.820 8.184 25.114 137 HA LEU 19 HA LEU 19 5.683 8.713 22.578 138 1HB LEU 19 HB2 LEU 19 7.897 10.048 24.127 139 2HB LEU 19 HB1 LEU 19 7.392 10.618 22.551 140 HG LEU 19 HG LEU 19 5.083 10.943 23.502 141 1HD1 LEU 19 HD11 LEU 19 5.251 9.451 25.419 142 2HD1 LEU 19 HD12 LEU 19 4.861 11.095 25.928 143 3HD1 LEU 19 HD13 LEU 19 6.502 10.478 26.120 144 1HD2 LEU 19 HD21 LEU 19 5.662 13.023 24.646 145 2HD2 LEU 19 HD22 LEU 19 6.626 12.795 23.187 146 3HD2 LEU 19 HD23 LEU 19 7.338 12.488 24.771 147 H GLY 20 HN GLY 20 9.059 8.141 23.517 148 1HA GLY 20 HA2 GLY 20 9.586 7.199 20.783 149 2HA GLY 20 HA1 GLY 20 10.813 7.748 21.918 150 H CYS 21 HN CYS 21 12.053 5.908 21.902 151 HA CYS 21 HA CYS 21 10.914 3.309 22.257 152 1HB CYS 21 HB2 CYS 21 13.017 3.593 21.042 153 2HB CYS 21 HB1 CYS 21 13.782 4.248 22.486 154 HG CYS 21 HG CYS 21 14.860 1.805 22.455 155 H GLU 22 HN GLU 22 10.253 2.454 24.083 156 HA GLU 22 HA GLU 22 10.312 3.664 26.575 157 1HB GLU 22 HB2 GLU 22 8.723 1.925 26.040 158 2HB GLU 22 HB1 GLU 22 10.009 0.752 25.821 159 1HG GLU 22 HG2 GLU 22 9.701 2.058 28.478 160 2HG GLU 22 HG1 GLU 22 8.556 0.806 28.004 161 H GLU 23 HN GLU 23 12.478 1.201 25.243 162 HA GLU 23 HA GLU 23 14.021 0.797 27.540 163 1HB GLU 23 HB2 GLU 23 14.079 -0.708 25.613 164 2HB GLU 23 HB1 GLU 23 14.846 0.547 24.650 165 1HG GLU 23 HG2 GLU 23 16.799 0.490 26.079 166 2HG GLU 23 HG1 GLU 23 16.026 -0.708 27.118 167 H CYS 24 HN CYS 24 14.440 3.058 24.846 168 HA CYS 24 HA CYS 24 16.905 4.091 25.720 169 1HB CYS 24 HB2 CYS 24 14.760 5.317 23.980 170 2HB CYS 24 HB1 CYS 24 16.356 6.020 24.219 171 HG CYS 24 HG CYS 24 17.253 4.873 22.113 172 H LEU 25 HN LEU 25 13.576 4.976 26.446 173 HA LEU 25 HA LEU 25 14.233 7.457 27.675 174 1HB LEU 25 HB2 LEU 25 11.747 5.767 27.723 175 2HB LEU 25 HB1 LEU 25 11.866 7.318 28.534 176 HG LEU 25 HG LEU 25 12.234 6.895 25.569 177 1HD1 LEU 25 HD11 LEU 25 9.906 8.038 27.105 178 2HD1 LEU 25 HD12 LEU 25 9.928 6.496 26.249 179 3HD1 LEU 25 HD13 LEU 25 10.069 8.007 25.350 180 1HD2 LEU 25 HD21 LEU 25 13.501 8.786 26.437 181 2HD2 LEU 25 HD22 LEU 25 12.049 9.411 27.220 182 3HD2 LEU 25 HD23 LEU 25 12.139 9.336 25.461 183 H LYS 26 HN LYS 26 14.417 4.228 28.817 184 HA LYS 26 HA LYS 26 13.932 4.967 31.586 185 1HB LYS 26 HB2 LYS 26 14.149 2.665 32.105 186 2HB LYS 26 HB1 LYS 26 13.273 2.741 30.584 187 1HG LYS 26 HG2 LYS 26 15.702 2.483 29.581 188 2HG LYS 26 HG1 LYS 26 16.008 1.745 31.154 189 1HD LYS 26 HD2 LYS 26 13.810 0.947 29.259 190 2HD LYS 26 HD1 LYS 26 15.349 0.102 29.432 191 1HE LYS 26 HE2 LYS 26 14.825 -0.589 31.626 192 2HE LYS 26 HE1 LYS 26 13.494 0.560 31.756 193 1HZ LYS 26 HZ1 LYS 26 12.289 -0.702 30.078 194 2HZ LYS 26 HZ2 LYS 26 12.674 -1.674 31.415 195 3HZ LYS 26 HZ3 LYS 26 13.563 -1.822 29.977 196 H ILE 27 HN ILE 27 16.551 5.016 29.455 197 HA ILE 27 HA ILE 27 18.424 5.114 31.726 198 HB ILE 27 HB ILE 27 20.193 4.255 30.175 199 1HG1 ILE 27 HG12 ILE 27 17.808 3.533 28.454 200 2HG1 ILE 27 HG11 ILE 27 19.035 4.731 28.056 201 1HG2 ILE 27 HG21 ILE 27 19.499 1.896 30.382 202 2HG2 ILE 27 HG22 ILE 27 17.869 2.435 30.792 203 3HG2 ILE 27 HG23 ILE 27 19.221 2.821 31.857 204 1HD1 ILE 27 HD11 ILE 27 20.726 2.981 27.978 205 2HD1 ILE 27 HD12 ILE 27 19.399 2.646 26.865 206 3HD1 ILE 27 HD13 ILE 27 19.505 1.780 28.397 207 H GLY 28 HN GLY 28 17.088 6.799 29.148 208 1HA GLY 28 HA2 GLY 28 17.556 8.983 28.478 209 2HA GLY 28 HA1 GLY 28 19.033 8.929 29.434 210 H SER 29 HN SER 29 17.808 6.924 26.802 211 HA SER 29 HA SER 29 20.364 7.289 25.392 212 1HB SER 29 HB2 SER 29 19.808 4.978 26.142 213 2HB SER 29 HB1 SER 29 18.338 5.041 25.177 214 HG SER 29 HG SER 29 20.992 5.283 24.162 215 HA PRO 30 HA PRO 30 17.971 9.218 22.153 216 1HB PRO 30 HB2 PRO 30 19.788 9.213 20.179 217 2HB PRO 30 HB1 PRO 30 19.974 10.234 21.610 218 1HG PRO 30 HG2 PRO 30 21.283 7.627 20.959 219 2HG PRO 30 HG1 PRO 30 21.981 9.078 21.702 220 1HD PRO 30 HD2 PRO 30 21.161 6.857 23.106 221 2HD PRO 30 HD1 PRO 30 21.273 8.489 23.791 222 H TRP 31 HN TRP 31 17.712 8.818 19.631 223 HA TRP 31 HA TRP 31 17.754 6.071 18.813 224 1HB TRP 31 HB2 TRP 31 15.276 5.964 18.412 225 2HB TRP 31 HB1 TRP 31 15.738 5.922 20.109 226 HD1 TRP 31 HD1 TRP 31 14.513 8.591 17.540 227 HE1 TRP 31 HE1 TRP 31 13.010 10.254 18.804 228 HE3 TRP 31 HE3 TRP 31 14.955 6.664 22.255 229 HZ2 TRP 31 HZ2 TRP 31 12.118 10.681 21.444 230 HZ3 TRP 31 HZ3 TRP 31 13.739 7.757 24.092 231 HH2 TRP 31 HH2 TRP 31 12.350 9.724 23.693 232 H VAL 32 HN VAL 32 16.969 5.808 16.604 233 HA VAL 32 HA VAL 32 17.229 8.289 15.051 234 HB VAL 32 HB VAL 32 17.328 5.431 14.058 235 1HG1 VAL 32 HG11 VAL 32 16.639 7.020 12.352 236 2HG1 VAL 32 HG12 VAL 32 18.263 6.419 12.021 237 3HG1 VAL 32 HG13 VAL 32 18.041 8.030 12.705 238 1HG2 VAL 32 HG21 VAL 32 19.606 7.333 14.597 239 2HG2 VAL 32 HG22 VAL 32 19.743 5.727 13.884 240 3HG2 VAL 32 HG23 VAL 32 19.206 5.908 15.554 241 H HIS 33 HN HIS 33 15.430 5.233 14.747 242 HA HIS 33 HA HIS 33 13.037 6.798 14.054 243 1HB HIS 33 HB2 HIS 33 13.970 4.178 12.861 244 2HB HIS 33 HB1 HIS 33 12.357 4.839 12.620 245 HD1 HIS 33 HD1 HIS 33 15.232 4.477 10.766 246 HD2 HIS 33 HD2 HIS 33 12.898 7.809 11.673 247 HE1 HIS 33 HE1 HIS 33 15.724 6.169 8.969 248 HE2 HIS 33 HE2 HIS 33 14.423 8.228 9.624 249 H LEU 34 HN LEU 34 11.000 5.708 14.555 250 HA LEU 34 HA LEU 34 11.291 3.918 16.887 251 1HB LEU 34 HB2 LEU 34 9.340 6.181 16.470 252 2HB LEU 34 HB1 LEU 34 9.131 4.957 17.704 253 HG LEU 34 HG LEU 34 10.052 6.777 18.833 254 1HD1 LEU 34 HD11 LEU 34 12.372 4.994 18.128 255 2HD1 LEU 34 HD12 LEU 34 11.172 4.693 19.385 256 3HD1 LEU 34 HD13 LEU 34 12.274 6.064 19.526 257 1HD2 LEU 34 HD21 LEU 34 10.688 8.117 16.916 258 2HD2 LEU 34 HD22 LEU 34 12.060 7.054 16.605 259 3HD2 LEU 34 HD23 LEU 34 12.014 8.028 18.076 260 H ARG 35 HN ARG 35 10.168 2.097 16.864 261 HA ARG 35 HA ARG 35 8.096 1.769 14.793 262 1HB ARG 35 HB2 ARG 35 9.990 -0.297 15.936 263 2HB ARG 35 HB1 ARG 35 8.667 -0.654 14.835 264 1HG ARG 35 HG2 ARG 35 9.729 0.748 13.122 265 2HG ARG 35 HG1 ARG 35 11.070 1.060 14.229 266 1HD ARG 35 HD2 ARG 35 11.617 -1.298 14.280 267 2HD ARG 35 HD1 ARG 35 10.220 -1.672 13.273 268 HE ARG 35 HE ARG 35 11.913 0.178 11.965 269 1HH1 ARG 35 HH11 ARG 35 11.712 -3.219 12.827 270 2HH1 ARG 35 HH12 ARG 35 12.718 -3.728 11.508 271 1HH2 ARG 35 HH21 ARG 35 13.230 -0.522 10.224 272 2HH2 ARG 35 HH22 ARG 35 13.575 -2.216 10.048 273 H ILE 36 HN ILE 36 6.134 1.698 15.669 274 HA ILE 36 HA ILE 36 5.831 0.615 18.381 275 HB ILE 36 HB ILE 36 4.736 2.759 18.015 276 1HG1 ILE 36 HG12 ILE 36 2.687 0.543 18.204 277 2HG1 ILE 36 HG11 ILE 36 3.727 1.058 19.527 278 1HG2 ILE 36 HG21 ILE 36 4.353 2.626 15.617 279 2HG2 ILE 36 HG22 ILE 36 2.858 3.007 16.471 280 3HG2 ILE 36 HG23 ILE 36 3.137 1.373 15.868 281 1HD1 ILE 36 HD11 ILE 36 1.664 2.749 18.137 282 2HD1 ILE 36 HD12 ILE 36 2.709 3.274 19.456 283 3HD1 ILE 36 HD13 ILE 36 1.510 2.010 19.730 284 H CYS 37 HN CYS 37 5.324 -1.343 18.651 285 HA CYS 37 HA CYS 37 4.756 -3.103 16.488 286 1HB CYS 37 HB2 CYS 37 6.123 -3.701 18.434 287 2HB CYS 37 HB1 CYS 37 4.724 -3.510 19.479 288 H ARG 38 HN ARG 38 2.813 -3.215 15.558 289 HA ARG 38 HA ARG 38 0.485 -2.082 16.724 290 1HB ARG 38 HB2 ARG 38 0.920 -3.699 14.221 291 2HB ARG 38 HB1 ARG 38 -0.656 -3.075 14.685 292 1HG ARG 38 HG2 ARG 38 1.801 -1.425 14.140 293 2HG ARG 38 HG1 ARG 38 0.432 -1.644 13.050 294 1HD ARG 38 HD2 ARG 38 0.425 -0.291 15.744 295 2HD ARG 38 HD1 ARG 38 0.196 0.466 14.169 296 HE ARG 38 HE ARG 38 -1.729 -1.376 15.441 297 1HH1 ARG 38 HH11 ARG 38 -0.997 1.234 13.207 298 2HH1 ARG 38 HH12 ARG 38 -2.671 1.639 12.966 299 1HH2 ARG 38 HH21 ARG 38 -3.923 -0.833 15.082 300 2HH2 ARG 38 HH22 ARG 38 -4.317 0.483 14.023 301 H THR 39 HN THR 39 1.808 -4.865 17.630 302 HA THR 39 HA THR 39 -0.714 -6.335 17.772 303 HB THR 39 HB THR 39 1.926 -7.402 18.733 304 HG1 THR 39 HG1 THR 39 1.051 -7.861 16.091 305 1HG2 THR 39 HG21 THR 39 0.925 -9.549 18.083 306 2HG2 THR 39 HG22 THR 39 -0.524 -8.706 17.535 307 3HG2 THR 39 HG23 THR 39 -0.087 -8.690 19.244 308 H CYS 40 HN CYS 40 1.917 -5.194 19.878 309 HA CYS 40 HA CYS 40 0.138 -5.673 22.171 310 1HB CYS 40 HB2 CYS 40 2.096 -6.213 23.513 311 2HB CYS 40 HB1 CYS 40 2.053 -7.232 22.080 312 H GLY 41 HN GLY 41 1.588 -3.286 20.372 313 1HA GLY 41 HA2 GLY 41 1.347 -1.011 20.701 314 2HA GLY 41 HA1 GLY 41 0.804 -1.335 22.335 315 H HIS 42 HN HIS 42 3.794 -2.832 21.692 316 HA HIS 42 HA HIS 42 4.999 -0.895 23.496 317 1HB HIS 42 HB2 HIS 42 5.189 -3.505 23.650 318 2HB HIS 42 HB1 HIS 42 6.471 -3.292 22.461 319 HD1 HIS 42 HD1 HIS 42 8.702 -2.386 23.300 320 HD2 HIS 42 HD2 HIS 42 5.717 -2.328 26.189 321 HE1 HIS 42 HE1 HIS 42 9.861 -1.814 25.454 322 HE2 HIS 42 HE2 HIS 42 8.061 -1.937 27.216 323 H VAL 43 HN VAL 43 6.211 0.706 22.820 324 HA VAL 43 HA VAL 43 7.013 0.831 20.030 325 HB VAL 43 HB VAL 43 7.410 2.927 22.174 326 1HG1 VAL 43 HG11 VAL 43 8.811 3.243 20.216 327 2HG1 VAL 43 HG12 VAL 43 7.550 4.474 20.274 328 3HG1 VAL 43 HG13 VAL 43 7.403 3.112 19.164 329 1HG2 VAL 43 HG21 VAL 43 5.117 2.604 20.243 330 2HG2 VAL 43 HG22 VAL 43 5.382 3.992 21.297 331 3HG2 VAL 43 HG23 VAL 43 5.045 2.407 21.994 332 H GLY 44 HN GLY 44 9.022 0.533 19.309 333 1HA GLY 44 HA2 GLY 44 11.239 0.597 21.249 334 2HA GLY 44 HA1 GLY 44 11.051 -0.781 20.170 335 H CYS 45 HN CYS 45 13.325 0.947 20.289 336 HA CYS 45 HA CYS 45 13.198 2.808 18.132 337 1HB CYS 45 HB2 CYS 45 15.740 2.749 18.386 338 2HB CYS 45 HB1 CYS 45 14.808 3.297 19.775 339 HG CYS 45 HG CYS 45 16.759 1.834 20.920 340 H CYS 46 HN CYS 46 13.979 2.649 16.095 341 HA CYS 46 HA CYS 46 13.674 0.164 14.787 342 1HB CYS 46 HB2 CYS 46 13.187 2.426 13.836 343 2HB CYS 46 HB1 CYS 46 14.918 2.713 13.739 344 HG CYS 46 HG CYS 46 15.072 1.875 11.334 345 H ASP 47 HN ASP 47 15.413 -0.545 13.112 346 HA ASP 47 HA ASP 47 17.682 -1.364 14.673 347 1HB ASP 47 HB2 ASP 47 18.247 -2.795 12.820 348 2HB ASP 47 HB1 ASP 47 16.511 -2.889 13.086 349 H ASP 48 HN ASP 48 17.060 1.381 12.980 350 HA ASP 48 HA ASP 48 19.627 1.955 11.883 351 1HB ASP 48 HB2 ASP 48 17.518 3.858 12.938 352 2HB ASP 48 HB1 ASP 48 18.906 4.315 11.961 353 H SER 49 HN SER 49 18.321 1.828 15.036 354 HA SER 49 HA SER 49 20.459 3.474 16.179 355 1HB SER 49 HB2 SER 49 18.050 2.275 17.568 356 2HB SER 49 HB1 SER 49 19.108 3.552 18.174 357 HG SER 49 HG SER 49 18.236 4.354 15.833 358 HA PRO 50 HA PRO 50 22.989 0.072 17.338 359 1HB PRO 50 HB2 PRO 50 23.577 0.860 19.958 360 2HB PRO 50 HB1 PRO 50 24.468 1.319 18.506 361 1HG PRO 50 HG2 PRO 50 22.374 2.821 20.000 362 2HG PRO 50 HG1 PRO 50 23.826 3.426 19.181 363 1HD PRO 50 HD2 PRO 50 21.408 3.715 18.087 364 2HD PRO 50 HD1 PRO 50 22.826 3.341 17.083 365 H HIS 51 HN HIS 51 20.411 1.008 19.542 366 HA HIS 51 HA HIS 51 20.427 -1.280 21.178 367 1HB HIS 51 HB2 HIS 51 18.295 0.706 20.451 368 2HB HIS 51 HB1 HIS 51 17.920 -0.689 21.450 369 HD1 HIS 51 HD1 HIS 51 17.943 -0.175 23.824 370 HD2 HIS 51 HD2 HIS 51 20.651 2.195 21.736 371 HE1 HIS 51 HE1 HIS 51 18.903 1.409 25.530 372 HE2 HIS 51 HE2 HIS 51 20.360 2.981 24.183 373 H LYS 52 HN LYS 52 18.599 -0.545 18.220 374 HA LYS 52 HA LYS 52 17.304 -1.806 16.839 375 1HB LYS 52 HB2 LYS 52 19.384 -3.891 17.524 376 2HB LYS 52 HB1 LYS 52 18.266 -3.983 16.169 377 1HG LYS 52 HG2 LYS 52 19.270 -1.823 15.347 378 2HG LYS 52 HG1 LYS 52 20.512 -2.032 16.580 379 1HD LYS 52 HD2 LYS 52 19.877 -3.985 14.373 380 2HD LYS 52 HD1 LYS 52 21.237 -2.863 14.392 381 1HE LYS 52 HE2 LYS 52 22.092 -3.965 16.416 382 2HE LYS 52 HE1 LYS 52 20.747 -5.104 16.351 383 1HZ LYS 52 HZ1 LYS 52 22.863 -4.771 14.292 384 2HZ LYS 52 HZ2 LYS 52 21.544 -5.831 14.173 385 3HZ LYS 52 HZ3 LYS 52 22.716 -6.070 15.375 386 H HIS 53 HN HIS 53 16.270 -1.698 19.424 387 HA HIS 53 HA HIS 53 15.719 -4.284 20.469 388 1HB HIS 53 HB2 HIS 53 15.613 -1.942 21.636 389 2HB HIS 53 HB1 HIS 53 13.957 -1.925 21.039 390 HD1 HIS 53 HD1 HIS 53 15.956 -3.017 23.829 391 HD2 HIS 53 HD2 HIS 53 12.441 -4.303 22.010 392 HE1 HIS 53 HE1 HIS 53 14.836 -4.523 25.501 393 HE2 HIS 53 HE2 HIS 53 12.799 -5.417 24.321 394 H ALA 54 HN ALA 54 14.382 -2.448 17.919 395 HA ALA 54 HA ALA 54 11.747 -3.434 17.887 396 1HB ALA 54 HB1 ALA 54 11.675 -2.691 15.584 397 2HB ALA 54 HB2 ALA 54 13.433 -2.563 15.548 398 3HB ALA 54 HB3 ALA 54 12.492 -1.493 16.587 399 H THR 55 HN THR 55 14.744 -4.674 16.450 400 HA THR 55 HA THR 55 13.391 -6.874 15.174 401 HB THR 55 HB THR 55 15.737 -7.680 14.712 402 HG1 THR 55 HG1 THR 55 17.406 -6.616 15.522 403 1HG2 THR 55 HG21 THR 55 16.240 -5.905 13.091 404 2HG2 THR 55 HG22 THR 55 15.087 -4.843 13.899 405 3HG2 THR 55 HG23 THR 55 14.523 -6.307 13.094 406 H ARG 56 HN ARG 56 15.414 -6.380 18.028 407 HA ARG 56 HA ARG 56 15.612 -9.003 18.938 408 1HB ARG 56 HB2 ARG 56 15.299 -6.485 20.585 409 2HB ARG 56 HB1 ARG 56 15.849 -8.034 21.201 410 1HG ARG 56 HG2 ARG 56 17.808 -7.909 19.724 411 2HG ARG 56 HG1 ARG 56 17.260 -6.326 19.163 412 1HD ARG 56 HD2 ARG 56 17.363 -5.495 21.477 413 2HD ARG 56 HD1 ARG 56 17.968 -7.064 22.000 414 HE ARG 56 HE ARG 56 19.595 -5.945 19.942 415 1HH1 ARG 56 HH11 ARG 56 18.883 -5.759 23.373 416 2HH1 ARG 56 HH12 ARG 56 20.452 -5.131 23.796 417 1HH2 ARG 56 HH21 ARG 56 21.665 -5.122 20.499 418 2HH2 ARG 56 HH22 ARG 56 22.035 -4.797 22.162 419 H HIS 57 HN HIS 57 13.000 -6.680 19.233 420 HA HIS 57 HA HIS 57 11.434 -8.012 21.132 421 1HB HIS 57 HB2 HIS 57 11.053 -5.674 20.481 422 2HB HIS 57 HB1 HIS 57 10.539 -6.199 18.881 423 HD1 HIS 57 HD1 HIS 57 9.454 -6.451 22.509 424 HD2 HIS 57 HD2 HIS 57 7.913 -6.858 18.664 425 HE1 HIS 57 HE1 HIS 57 6.960 -6.779 22.767 426 H PHE 58 HN PHE 58 11.429 -8.208 17.593 427 HA PHE 58 HA PHE 58 9.208 -9.934 17.391 428 1HB PHE 58 HB2 PHE 58 9.919 -8.724 15.444 429 2HB PHE 58 HB1 PHE 58 11.527 -9.435 15.519 430 HD1 PHE 58 HD1 PHE 58 8.021 -10.740 15.495 431 HD2 PHE 58 HD2 PHE 58 11.933 -10.932 13.861 432 HE1 PHE 58 HE1 PHE 58 7.299 -12.549 13.993 433 HE2 PHE 58 HE2 PHE 58 11.223 -12.737 12.350 434 HZ PHE 58 HZ PHE 58 8.902 -13.551 12.418 435 H HIS 59 HN HIS 59 12.657 -10.508 17.756 436 HA HIS 59 HA HIS 59 12.646 -13.288 17.345 437 1HB HIS 59 HB2 HIS 59 14.656 -11.727 17.474 438 2HB HIS 59 HB1 HIS 59 14.488 -11.801 19.223 439 HD1 HIS 59 HD1 HIS 59 16.255 -13.341 16.541 440 HD2 HIS 59 HD2 HIS 59 14.640 -14.678 20.133 441 HE1 HIS 59 HE1 HIS 59 17.409 -15.522 17.037 442 HE2 HIS 59 HE2 HIS 59 16.258 -16.408 19.099 443 H ALA 60 HN ALA 60 11.808 -11.320 20.104 444 HA ALA 60 HA ALA 60 11.833 -13.579 21.925 445 1HB ALA 60 HB1 ALA 60 12.632 -11.356 22.639 446 2HB ALA 60 HB2 ALA 60 11.333 -11.984 23.654 447 3HB ALA 60 HB3 ALA 60 10.990 -10.737 22.454 448 H THR 61 HN THR 61 9.377 -11.200 20.873 449 HA THR 61 HA THR 61 7.300 -12.752 22.163 450 HB THR 61 HB THR 61 5.782 -10.938 21.280 451 HG1 THR 61 HG1 THR 61 8.279 -9.778 20.518 452 1HG2 THR 61 HG21 THR 61 6.720 -10.876 23.552 453 2HG2 THR 61 HG22 THR 61 6.543 -9.258 22.872 454 3HG2 THR 61 HG23 THR 61 8.135 -10.019 22.938 455 H GLY 62 HN GLY 62 8.489 -12.247 18.924 456 1HA GLY 62 HA2 GLY 62 7.919 -13.364 16.977 457 2HA GLY 62 HA1 GLY 62 6.704 -14.253 17.886 458 H HIS 63 HN HIS 63 7.077 -10.756 17.539 459 HA HIS 63 HA HIS 63 4.383 -10.670 16.352 460 1HB HIS 63 HB2 HIS 63 5.903 -8.577 17.927 461 2HB HIS 63 HB1 HIS 63 4.386 -8.258 17.096 462 HD2 HIS 63 HD2 HIS 63 3.545 -11.502 18.390 463 HE1 HIS 63 HE1 HIS 63 3.021 -8.944 21.728 464 HE2 HIS 63 HE2 HIS 63 2.755 -11.324 20.856 465 HA PRO 64 HA PRO 64 7.127 -9.859 12.928 466 1HB PRO 64 HB2 PRO 64 5.516 -10.681 10.963 467 2HB PRO 64 HB1 PRO 64 6.229 -11.816 12.115 468 1HG PRO 64 HG2 PRO 64 3.463 -10.684 12.035 469 2HG PRO 64 HG1 PRO 64 3.987 -12.338 12.397 470 1HD PRO 64 HD2 PRO 64 3.334 -10.445 14.299 471 2HD PRO 64 HD1 PRO 64 4.369 -11.855 14.593 472 H ILE 65 HN ILE 65 4.523 -7.941 13.752 473 HA ILE 65 HA ILE 65 4.947 -6.288 11.355 474 HB ILE 65 HB ILE 65 2.315 -6.689 12.782 475 1HG1 ILE 65 HG12 ILE 65 3.261 -7.385 9.992 476 2HG1 ILE 65 HG11 ILE 65 2.852 -8.520 11.274 477 1HG2 ILE 65 HG21 ILE 65 1.379 -5.149 11.112 478 2HG2 ILE 65 HG22 ILE 65 3.002 -4.844 10.493 479 3HG2 ILE 65 HG23 ILE 65 2.579 -4.357 12.134 480 1HD1 ILE 65 HD11 ILE 65 1.086 -8.398 9.627 481 2HD1 ILE 65 HD12 ILE 65 0.946 -6.658 9.877 482 3HD1 ILE 65 HD13 ILE 65 0.527 -7.772 11.178 483 H ILE 66 HN ILE 66 5.644 -4.354 11.700 484 HA ILE 66 HA ILE 66 5.043 -3.023 14.253 485 HB ILE 66 HB ILE 66 7.252 -1.871 14.058 486 1HG1 ILE 66 HG12 ILE 66 8.905 -3.433 12.643 487 2HG1 ILE 66 HG11 ILE 66 7.447 -3.668 11.692 488 1HG2 ILE 66 HG21 ILE 66 7.303 -4.868 14.337 489 2HG2 ILE 66 HG22 ILE 66 6.981 -3.690 15.610 490 3HG2 ILE 66 HG23 ILE 66 8.582 -3.780 14.876 491 1HD1 ILE 66 HD11 ILE 66 8.881 -1.868 10.831 492 2HD1 ILE 66 HD12 ILE 66 8.651 -0.990 12.342 493 3HD1 ILE 66 HD13 ILE 66 7.274 -1.304 11.286 494 H GLU 67 HN GLU 67 4.921 -0.708 14.119 495 HA GLU 67 HA GLU 67 4.309 0.249 11.404 496 1HB GLU 67 HB2 GLU 67 2.314 0.055 12.794 497 2HB GLU 67 HB1 GLU 67 3.071 1.015 14.053 498 1HG GLU 67 HG2 GLU 67 3.026 2.971 12.666 499 2HG GLU 67 HG1 GLU 67 2.439 2.030 11.293 500 H GLY 68 HN GLY 68 5.160 2.178 10.762 501 1HA GLY 68 HA2 GLY 68 7.417 3.222 12.154 502 2HA GLY 68 HA1 GLY 68 6.652 3.934 10.736 503 H TYR 69 HN TYR 69 7.201 4.268 14.033 504 HA TYR 69 HA TYR 69 4.729 5.729 14.537 505 1HB TYR 69 HB2 TYR 69 5.662 4.010 16.145 506 2HB TYR 69 HB1 TYR 69 6.951 5.157 16.498 507 HD1 TYR 69 HD1 TYR 69 6.616 6.012 18.624 508 HD2 TYR 69 HD2 TYR 69 3.276 5.584 16.024 509 HE1 TYR 69 HE1 TYR 69 5.178 7.099 20.298 510 HE2 TYR 69 HE2 TYR 69 1.831 6.669 17.688 511 HH TYR 69 HH TYR 69 1.773 7.080 20.071 512 H ASP 70 HN ASP 70 8.189 6.286 14.250 513 HA ASP 70 HA ASP 70 8.036 8.980 15.183 514 1HB ASP 70 HB2 ASP 70 10.351 9.191 14.703 515 2HB ASP 70 HB1 ASP 70 10.113 7.553 15.284 516 HA PRO 71 HA PRO 71 7.585 10.201 10.678 517 1HB PRO 71 HB2 PRO 71 7.155 8.196 8.804 518 2HB PRO 71 HB1 PRO 71 8.707 8.964 9.135 519 1HG PRO 71 HG2 PRO 71 7.971 6.263 9.634 520 2HG PRO 71 HG1 PRO 71 9.489 7.066 10.066 521 1HD PRO 71 HD2 PRO 71 7.104 6.504 11.736 522 2HD PRO 71 HD1 PRO 71 8.805 6.687 12.214 523 HA PRO 72 HA PRO 72 3.173 9.717 11.458 524 1HB PRO 72 HB2 PRO 72 2.946 12.309 10.114 525 2HB PRO 72 HB1 PRO 72 2.575 11.879 11.785 526 1HG PRO 72 HG2 PRO 72 4.681 13.430 11.143 527 2HG PRO 72 HG1 PRO 72 4.720 12.303 12.512 528 1HD PRO 72 HD2 PRO 72 5.866 11.980 9.760 529 2HD PRO 72 HD1 PRO 72 6.586 11.573 11.333 530 H GLU 73 HN GLU 73 4.574 8.850 8.897 531 HA GLU 73 HA GLU 73 2.762 9.505 6.772 532 1HB GLU 73 HB2 GLU 73 4.925 7.406 6.995 533 2HB GLU 73 HB1 GLU 73 4.034 7.764 5.522 534 1HG GLU 73 HG2 GLU 73 5.769 9.713 7.020 535 2HG GLU 73 HG1 GLU 73 6.243 8.820 5.575 536 H GLY 74 HN GLY 74 3.208 6.876 9.050 537 1HA GLY 74 HA2 GLY 74 1.681 5.276 9.731 538 2HA GLY 74 HA1 GLY 74 0.529 5.934 8.578 539 H TRP 75 HN TRP 75 3.276 3.781 8.968 540 HA TRP 75 HA TRP 75 2.212 2.156 6.804 541 1HB TRP 75 HB2 TRP 75 4.531 1.797 5.888 542 2HB TRP 75 HB1 TRP 75 3.851 3.389 5.586 543 HD1 TRP 75 HD1 TRP 75 5.114 5.461 6.565 544 HE1 TRP 75 HE1 TRP 75 7.388 5.768 7.729 545 HE3 TRP 75 HE3 TRP 75 6.168 0.557 7.599 546 HZ2 TRP 75 HZ2 TRP 75 9.360 4.147 8.935 547 HZ3 TRP 75 HZ3 TRP 75 8.269 0.026 8.760 548 HH2 TRP 75 HH2 TRP 75 9.832 1.784 9.414 549 H GLY 76 HN GLY 76 2.929 -0.031 6.852 550 1HA GLY 76 HA2 GLY 76 3.982 -0.812 9.499 551 2HA GLY 76 HA1 GLY 76 2.655 -1.661 8.718 552 H TRP 77 HN TRP 77 5.555 -2.265 9.565 553 HA TRP 77 HA TRP 77 6.420 -3.449 7.009 554 1HB TRP 77 HB2 TRP 77 8.091 -1.944 7.894 555 2HB TRP 77 HB1 TRP 77 8.001 -2.705 9.475 556 HD1 TRP 77 HD1 TRP 77 9.539 -4.762 9.907 557 HE1 TRP 77 HE1 TRP 77 11.309 -6.001 8.508 558 HE3 TRP 77 HE3 TRP 77 8.593 -2.653 5.348 559 HZ2 TRP 77 HZ2 TRP 77 12.187 -6.075 5.828 560 HZ3 TRP 77 HZ3 TRP 77 9.944 -3.362 3.421 561 HH2 TRP 77 HH2 TRP 77 11.703 -5.037 3.656 562 H CYS 78 HN CYS 78 6.368 -5.589 6.824 563 HA CYS 78 HA CYS 78 5.842 -7.156 9.260 564 1HB CYS 78 HB2 CYS 78 4.231 -7.107 7.202 565 2HB CYS 78 HB1 CYS 78 5.412 -8.182 6.469 566 H TYR 79 HN TYR 79 7.596 -8.127 10.028 567 HA TYR 79 HA TYR 79 10.084 -8.067 8.825 568 1HB TYR 79 HB2 TYR 79 9.023 -9.780 11.057 569 2HB TYR 79 HB1 TYR 79 10.709 -9.833 10.554 570 HD1 TYR 79 HD1 TYR 79 11.918 -7.508 10.462 571 HD2 TYR 79 HD2 TYR 79 8.401 -8.290 12.724 572 HE1 TYR 79 HE1 TYR 79 12.431 -5.591 11.910 573 HE2 TYR 79 HE2 TYR 79 8.899 -6.367 14.174 574 HH TYR 79 HH TYR 79 10.964 -5.072 14.864 575 H VAL 80 HN VAL 80 8.114 -11.031 9.231 576 HA VAL 80 HA VAL 80 9.959 -12.633 7.808 577 HB VAL 80 HB VAL 80 8.141 -14.354 7.777 578 1HG1 VAL 80 HG11 VAL 80 8.748 -13.024 10.416 579 2HG1 VAL 80 HG12 VAL 80 9.722 -14.252 9.607 580 3HG1 VAL 80 HG13 VAL 80 8.120 -14.660 10.224 581 1HG2 VAL 80 HG21 VAL 80 6.109 -13.906 9.084 582 2HG2 VAL 80 HG22 VAL 80 6.208 -12.878 7.655 583 3HG2 VAL 80 HG23 VAL 80 6.592 -12.218 9.245 584 H ASP 81 HN ASP 81 7.449 -10.573 6.746 585 HA ASP 81 HA ASP 81 7.146 -11.872 4.164 586 1HB ASP 81 HB2 ASP 81 6.034 -9.229 5.136 587 2HB ASP 81 HB1 ASP 81 5.578 -10.061 3.657 588 H GLU 82 HN GLU 82 8.612 -9.042 5.601 589 HA GLU 82 HA GLU 82 10.069 -7.482 4.898 590 1HB GLU 82 HB2 GLU 82 10.630 -9.584 2.824 591 2HB GLU 82 HB1 GLU 82 11.454 -8.030 2.810 592 1HG GLU 82 HG2 GLU 82 12.249 -8.458 5.097 593 2HG GLU 82 HG1 GLU 82 11.478 -10.043 5.045 594 H VAL 83 HN VAL 83 7.288 -7.529 4.038 595 HA VAL 83 HA VAL 83 7.555 -5.697 1.756 596 HB VAL 83 HB VAL 83 5.187 -6.079 1.243 597 1HG1 VAL 83 HG11 VAL 83 5.370 -8.415 0.440 598 2HG1 VAL 83 HG12 VAL 83 6.845 -8.589 1.393 599 3HG1 VAL 83 HG13 VAL 83 6.784 -7.430 0.065 600 1HG2 VAL 83 HG21 VAL 83 5.272 -8.152 3.432 601 2HG2 VAL 83 HG22 VAL 83 3.935 -7.892 2.311 602 3HG2 VAL 83 HG23 VAL 83 4.372 -6.637 3.471 603 H MET 84 HN MET 84 6.901 -3.646 2.002 604 HA MET 84 HA MET 84 5.854 -2.879 4.633 605 1HB MET 84 HB2 MET 84 7.910 -1.755 3.847 606 2HB MET 84 HB1 MET 84 7.040 -1.165 2.438 607 1HG MET 84 HG2 MET 84 5.560 0.126 3.885 608 2HG MET 84 HG1 MET 84 6.421 -0.472 5.301 609 1HE MET 84 HE1 MET 84 9.430 -0.473 4.236 610 2HE MET 84 HE2 MET 84 8.973 0.115 5.835 611 3HE MET 84 HE3 MET 84 9.980 1.110 4.784 612 H PHE 85 HN PHE 85 3.796 -2.345 4.853 613 HA PHE 85 HA PHE 85 2.297 -1.567 2.441 614 1HB PHE 85 HB2 PHE 85 0.274 -2.518 3.625 615 2HB PHE 85 HB1 PHE 85 1.462 -3.700 3.093 616 HD1 PHE 85 HD1 PHE 85 -0.058 -2.052 5.986 617 HD2 PHE 85 HD2 PHE 85 2.744 -4.976 4.677 618 HE1 PHE 85 HE1 PHE 85 0.025 -2.983 8.258 619 HE2 PHE 85 HE2 PHE 85 2.836 -5.910 6.952 620 HZ PHE 85 HZ PHE 85 1.476 -4.912 8.746 621 H ASP 86 HN ASP 86 0.183 -0.345 3.164 622 HA ASP 86 HA ASP 86 1.220 1.872 4.767 623 1HB ASP 86 HB2 ASP 86 -0.108 3.302 3.551 624 2HB ASP 86 HB1 ASP 86 0.127 2.033 2.356 625 H LEU 87 HN LEU 87 0.113 2.742 6.491 626 HA LEU 87 HA LEU 87 -2.315 1.367 7.396 627 1HB LEU 87 HB2 LEU 87 0.193 1.819 9.007 628 2HB LEU 87 HB1 LEU 87 -1.365 1.531 9.756 629 HG LEU 87 HG LEU 87 0.045 -0.392 7.901 630 1HD1 LEU 87 HD11 LEU 87 0.397 -1.730 9.924 631 2HD1 LEU 87 HD12 LEU 87 -0.289 -0.429 10.899 632 3HD1 LEU 87 HD13 LEU 87 1.218 -0.172 10.020 633 1HD2 LEU 87 HD21 LEU 87 -2.395 -0.575 7.815 634 2HD2 LEU 87 HD22 LEU 87 -2.448 -0.715 9.573 635 3HD2 LEU 87 HD23 LEU 87 -1.673 -1.974 8.611 636 H SER 88 HN SER 88 -1.545 4.008 6.186 637 HA SER 88 HA SER 88 -1.350 6.053 8.045 638 1HB SER 88 HB2 SER 88 -0.908 6.338 5.652 639 2HB SER 88 HB1 SER 88 -2.623 6.135 5.301 640 HG SER 88 HG SER 88 -1.422 8.230 6.818 641 H ASP 89 HN ASP 89 -4.258 4.480 6.782 642 HA ASP 89 HA ASP 89 -6.037 6.456 7.889 643 1HB ASP 89 HB2 ASP 89 -6.685 3.673 6.895 644 2HB ASP 89 HB1 ASP 89 -7.838 4.967 7.188 645 H ARG 90 HN ARG 90 -4.434 3.703 9.126 646 HA ARG 90 HA ARG 90 -6.371 3.498 11.347 647 1HB ARG 90 HB2 ARG 90 -4.803 1.150 10.300 648 2HB ARG 90 HB1 ARG 90 -6.240 1.142 11.314 649 1HG ARG 90 HG2 ARG 90 -7.618 1.813 9.479 650 2HG ARG 90 HG1 ARG 90 -6.207 2.062 8.451 651 1HD ARG 90 HD2 ARG 90 -5.721 -0.433 8.920 652 2HD ARG 90 HD1 ARG 90 -7.412 -0.502 9.421 653 HE ARG 90 HE ARG 90 -7.514 0.714 6.995 654 1HH1 ARG 90 HH11 ARG 90 -6.215 -2.333 8.151 655 2HH1 ARG 90 HH12 ARG 90 -6.267 -3.078 6.583 656 1HH2 ARG 90 HH21 ARG 90 -7.601 -0.285 4.956 657 2HH2 ARG 90 HH22 ARG 90 -7.053 -1.927 4.780 658 H MET 91 HN MET 91 -3.627 4.794 10.844 659 HA MET 91 HA MET 91 -1.705 3.265 12.268 660 1HB MET 91 HB2 MET 91 -0.251 5.186 12.072 661 2HB MET 91 HB1 MET 91 -1.091 4.933 10.549 662 1HG MET 91 HG2 MET 91 -2.592 6.748 11.013 663 2HG MET 91 HG1 MET 91 -1.913 6.944 12.627 664 1HE MET 91 HE1 MET 91 1.699 8.233 11.847 665 2HE MET 91 HE2 MET 91 1.222 6.546 12.038 666 3HE MET 91 HE3 MET 91 0.548 7.780 13.103 667 H THR 92 HN THR 92 -0.558 4.005 14.184 668 HA THR 92 HA THR 92 -2.429 4.697 16.280 669 HB THR 92 HB THR 92 0.533 4.339 16.661 670 HG1 THR 92 HG1 THR 92 -0.062 2.556 15.436 671 1HG2 THR 92 HG21 THR 92 -1.876 3.642 18.348 672 2HG2 THR 92 HG22 THR 92 -0.805 5.022 18.592 673 3HG2 THR 92 HG23 THR 92 -0.192 3.382 18.804 674 HA PRO 93 HA PRO 93 -1.380 9.072 15.858 675 1HB PRO 93 HB2 PRO 93 -2.999 9.216 18.332 676 2HB PRO 93 HB1 PRO 93 -3.193 10.091 16.811 677 1HG PRO 93 HG2 PRO 93 -4.874 8.132 17.497 678 2HG PRO 93 HG1 PRO 93 -4.368 8.364 15.812 679 1HD PRO 93 HD2 PRO 93 -3.426 6.349 17.816 680 2HD PRO 93 HD1 PRO 93 -3.759 6.145 16.082 681 H HIS 94 HN HIS 94 0.233 10.244 16.790 682 HA HIS 94 HA HIS 94 1.901 8.990 18.680 683 1HB HIS 94 HB2 HIS 94 3.256 11.003 18.638 684 2HB HIS 94 HB1 HIS 94 2.749 10.599 17.006 685 HD1 HIS 94 HD1 HIS 94 1.241 12.281 15.780 686 HD2 HIS 94 HD2 HIS 94 2.176 13.382 19.683 687 HE1 HIS 94 HE1 HIS 94 0.531 14.686 16.004 688 HE2 HIS 94 HE2 HIS 94 0.914 15.254 18.430 689 H ASN 95 HN ASN 95 2.156 9.196 20.826 690 HA ASN 95 HA ASN 95 -0.076 10.338 22.287 691 1HB ASN 95 HB2 ASN 95 0.834 9.183 24.215 692 2HB ASN 95 HB1 ASN 95 0.826 8.086 22.839 693 1HD2 ASN 95 HD21 ASN 95 2.402 7.915 25.229 694 2HD2 ASN 95 HD22 ASN 95 4.060 7.973 24.739 695 H GLY 96 HN GLY 96 2.887 11.407 21.233 696 1HA GLY 96 HA2 GLY 96 2.628 13.913 22.498 697 2HA GLY 96 HA1 GLY 96 3.870 12.971 23.315 698 HA PRO 97 HA PRO 97 5.592 15.125 19.453 699 1HB PRO 97 HB2 PRO 97 7.288 16.540 21.398 700 2HB PRO 97 HB1 PRO 97 6.346 17.188 20.052 701 1HG PRO 97 HG2 PRO 97 5.619 17.590 22.606 702 2HG PRO 97 HG1 PRO 97 4.423 17.378 21.313 703 1HD PRO 97 HD2 PRO 97 5.379 15.405 23.355 704 2HD PRO 97 HD1 PRO 97 3.731 15.702 22.760 705 H ILE 98 HN ILE 98 6.918 13.650 18.603 706 HA ILE 98 HA ILE 98 8.858 12.286 20.298 707 HB ILE 98 HB ILE 98 8.186 11.821 17.387 708 1HG1 ILE 98 HG12 ILE 98 7.316 10.358 19.892 709 2HG1 ILE 98 HG11 ILE 98 6.288 11.346 18.859 710 1HG2 ILE 98 HG21 ILE 98 9.388 9.707 17.662 711 2HG2 ILE 98 HG22 ILE 98 9.805 10.156 19.316 712 3HG2 ILE 98 HG23 ILE 98 10.445 11.087 17.962 713 1HD1 ILE 98 HD11 ILE 98 7.636 8.771 18.090 714 2HD1 ILE 98 HD12 ILE 98 6.643 9.766 17.023 715 3HD1 ILE 98 HD13 ILE 98 5.922 8.997 18.438 716 HA PRO 99 HA PRO 99 11.880 15.245 18.884 717 1HB PRO 99 HB2 PRO 99 13.846 14.512 20.576 718 2HB PRO 99 HB1 PRO 99 12.443 15.449 21.101 719 1HG PRO 99 HG2 PRO 99 12.998 12.531 21.409 720 2HG PRO 99 HG1 PRO 99 12.260 13.661 22.558 721 1HD PRO 99 HD2 PRO 99 10.845 11.905 20.991 722 2HD PRO 99 HD1 PRO 99 10.183 13.418 21.639 723 H ARG 100 HN ARG 100 12.781 14.896 16.966 724 HA ARG 100 HA ARG 100 14.259 12.500 16.345 725 1HB ARG 100 HB2 ARG 100 12.979 13.801 14.637 726 2HB ARG 100 HB1 ARG 100 14.105 15.130 14.843 727 1HG ARG 100 HG2 ARG 100 15.098 12.425 14.034 728 2HG ARG 100 HG1 ARG 100 14.380 13.508 12.843 729 1HD ARG 100 HD2 ARG 100 16.818 13.993 14.547 730 2HD ARG 100 HD1 ARG 100 16.750 13.816 12.795 731 HE ARG 100 HE ARG 100 15.128 15.981 13.531 732 1HH1 ARG 100 HH11 ARG 100 18.524 15.094 13.316 733 2HH1 ARG 100 HH12 ARG 100 19.066 16.753 13.284 734 1HH2 ARG 100 HH21 ARG 100 15.867 18.146 13.484 735 2HH2 ARG 100 HH22 ARG 100 17.575 18.464 13.373 736 H TYR 101 HN TYR 101 16.222 12.164 17.169 737 HA TYR 101 HA TYR 101 17.740 14.409 18.205 738 1HB TYR 101 HB2 TYR 101 18.184 11.428 18.375 739 2HB TYR 101 HB1 TYR 101 19.268 12.620 19.081 740 HD1 TYR 101 HD1 TYR 101 17.751 14.500 20.471 741 HD2 TYR 101 HD2 TYR 101 16.869 10.375 19.923 742 HE1 TYR 101 HE1 TYR 101 16.417 14.517 22.536 743 HE2 TYR 101 HE2 TYR 101 15.526 10.382 21.981 744 HH TYR 101 HH TYR 101 15.445 11.724 24.110 745 H VAL 102 HN VAL 102 18.166 11.813 15.825 746 HA VAL 102 HA VAL 102 20.582 13.204 14.908 747 HB VAL 102 HB VAL 102 21.244 10.939 13.940 748 1HG1 VAL 102 HG11 VAL 102 22.182 10.186 16.066 749 2HG1 VAL 102 HG12 VAL 102 21.052 11.221 16.939 750 3HG1 VAL 102 HG13 VAL 102 22.295 11.940 15.916 751 1HG2 VAL 102 HG21 VAL 102 19.081 9.824 14.114 752 2HG2 VAL 102 HG22 VAL 102 19.115 10.005 15.868 753 3HG2 VAL 102 HG23 VAL 102 20.297 8.971 15.066 Start of MODEL 16 1 1H MET 1 HT1 MET 1 3.272 1.651 -1.686 2 2H MET 1 HT2 MET 1 4.581 1.544 -0.616 3 3H MET 1 HT3 MET 1 3.079 2.115 -0.065 4 HA MET 1 HA MET 1 3.512 -0.147 0.649 5 1HB MET 1 HB2 MET 1 1.387 -1.115 -0.072 6 2HB MET 1 HB1 MET 1 1.198 0.587 0.317 7 1HG MET 1 HG2 MET 1 1.204 1.153 -2.039 8 2HG MET 1 HG1 MET 1 1.465 -0.539 -2.461 9 1HE MET 1 HE1 MET 1 -0.842 1.164 -3.746 10 2HE MET 1 HE2 MET 1 -2.205 0.048 -3.647 11 3HE MET 1 HE3 MET 1 -0.605 -0.549 -4.093 12 H THR 2 HN THR 2 4.267 -2.127 0.238 13 HA THR 2 HA THR 2 5.334 -2.630 -2.436 14 HB THR 2 HB THR 2 5.809 -4.324 0.012 15 HG1 THR 2 HG1 THR 2 7.757 -2.459 -0.516 16 1HG2 THR 2 HG21 THR 2 7.937 -4.800 -1.100 17 2HG2 THR 2 HG22 THR 2 7.492 -3.721 -2.422 18 3HG2 THR 2 HG23 THR 2 6.572 -5.199 -2.144 19 H MET 3 HN MET 3 3.671 -4.439 0.143 20 HA MET 3 HA MET 3 1.740 -5.606 -1.562 21 1HB MET 3 HB2 MET 3 3.706 -6.880 -2.359 22 2HB MET 3 HB1 MET 3 4.018 -7.416 -0.715 23 1HG MET 3 HG2 MET 3 2.927 -9.139 -2.051 24 2HG MET 3 HG1 MET 3 1.932 -8.641 -0.684 25 1HE MET 3 HE1 MET 3 2.515 -8.257 -4.556 26 2HE MET 3 HE2 MET 3 2.436 -6.580 -4.013 27 3HE MET 3 HE3 MET 3 1.148 -7.243 -5.020 28 H GLY 4 HN GLY 4 0.163 -6.689 -0.372 29 1HA GLY 4 HA2 GLY 4 0.201 -6.212 2.466 30 2HA GLY 4 HA1 GLY 4 -1.103 -6.953 1.548 31 H CYS 5 HN CYS 5 -0.899 -8.186 3.774 32 HA CYS 5 HA CYS 5 0.176 -10.760 3.096 33 1HB CYS 5 HB2 CYS 5 2.216 -9.736 3.911 34 2HB CYS 5 HB1 CYS 5 1.401 -9.194 5.374 35 H ARG 6 HN ARG 6 -0.642 -12.428 4.395 36 HA ARG 6 HA ARG 6 -3.183 -12.050 5.465 37 1HB ARG 6 HB2 ARG 6 -2.877 -14.338 6.454 38 2HB ARG 6 HB1 ARG 6 -2.560 -14.219 4.730 39 1HG ARG 6 HG2 ARG 6 -0.202 -14.304 5.082 40 2HG ARG 6 HG1 ARG 6 -0.404 -14.154 6.829 41 1HD ARG 6 HD2 ARG 6 -1.504 -16.448 5.214 42 2HD ARG 6 HD1 ARG 6 0.078 -16.478 5.995 43 HE ARG 6 HE ARG 6 -0.984 -16.463 8.108 44 1HH1 ARG 6 HH11 ARG 6 -3.254 -16.659 5.437 45 2HH1 ARG 6 HH12 ARG 6 -4.575 -17.178 6.442 46 1HH2 ARG 6 HH21 ARG 6 -2.698 -17.182 9.406 47 2HH2 ARG 6 HH22 ARG 6 -4.256 -17.502 8.697 48 H HIS 7 HN HIS 7 -0.089 -11.742 7.023 49 HA HIS 7 HA HIS 7 -0.901 -11.996 9.700 50 1HB HIS 7 HB2 HIS 7 1.373 -10.469 8.436 51 2HB HIS 7 HB1 HIS 7 1.121 -10.509 10.175 52 HD2 HIS 7 HD2 HIS 7 0.582 -13.671 10.597 53 HE1 HIS 7 HE1 HIS 7 4.315 -14.111 8.653 54 HE2 HIS 7 HE2 HIS 7 2.504 -15.302 9.973 55 H VAL 8 HN VAL 8 -1.359 -9.429 7.408 56 HA VAL 8 HA VAL 8 -1.632 -7.269 9.241 57 HB VAL 8 HB VAL 8 -2.964 -7.458 6.543 58 1HG1 VAL 8 HG11 VAL 8 -2.701 -5.023 6.536 59 2HG1 VAL 8 HG12 VAL 8 -2.004 -5.103 8.154 60 3HG1 VAL 8 HG13 VAL 8 -3.682 -5.579 7.891 61 1HG2 VAL 8 HG21 VAL 8 -0.654 -8.042 6.256 62 2HG2 VAL 8 HG22 VAL 8 -0.153 -6.626 7.180 63 3HG2 VAL 8 HG23 VAL 8 -0.950 -6.425 5.620 64 H ALA 9 HN ALA 9 -3.764 -9.749 8.084 65 HA ALA 9 HA ALA 9 -6.173 -8.386 8.675 66 1HB ALA 9 HB1 ALA 9 -6.082 -10.153 7.012 67 2HB ALA 9 HB2 ALA 9 -7.250 -10.548 8.273 68 3HB ALA 9 HB3 ALA 9 -5.668 -11.326 8.262 69 H GLY 10 HN GLY 10 -3.868 -9.651 10.701 70 1HA GLY 10 HA2 GLY 10 -5.862 -10.310 12.774 71 2HA GLY 10 HA1 GLY 10 -4.260 -11.023 12.694 72 H ILE 11 HN ILE 11 -3.902 -7.826 11.898 73 HA ILE 11 HA ILE 11 -2.885 -7.286 14.581 74 HB ILE 11 HB ILE 11 -1.735 -5.361 13.619 75 1HG1 ILE 11 HG12 ILE 11 -2.932 -6.243 10.982 76 2HG1 ILE 11 HG11 ILE 11 -3.410 -4.808 11.881 77 1HG2 ILE 11 HG21 ILE 11 -0.646 -7.540 13.620 78 2HG2 ILE 11 HG22 ILE 11 -0.153 -6.586 12.222 79 3HG2 ILE 11 HG23 ILE 11 -1.324 -7.890 12.030 80 1HD1 ILE 11 HD11 ILE 11 -1.935 -4.258 10.034 81 2HD1 ILE 11 HD12 ILE 11 -0.693 -5.320 10.698 82 3HD1 ILE 11 HD13 ILE 11 -1.182 -3.875 11.583 83 H ARG 12 HN ARG 12 -3.285 -5.301 15.662 84 HA ARG 12 HA ARG 12 -5.967 -4.237 15.061 85 1HB ARG 12 HB2 ARG 12 -6.210 -3.813 17.447 86 2HB ARG 12 HB1 ARG 12 -5.820 -5.507 17.176 87 1HG ARG 12 HG2 ARG 12 -3.673 -5.283 18.019 88 2HG ARG 12 HG1 ARG 12 -3.658 -3.534 17.782 89 1HD ARG 12 HD2 ARG 12 -3.854 -3.966 20.123 90 2HD ARG 12 HD1 ARG 12 -5.397 -3.343 19.547 91 HE ARG 12 HE ARG 12 -5.087 -6.244 19.747 92 1HH1 ARG 12 HH11 ARG 12 -6.471 -3.264 20.967 93 2HH1 ARG 12 HH12 ARG 12 -7.563 -4.064 22.057 94 1HH2 ARG 12 HH21 ARG 12 -6.543 -7.303 21.185 95 2HH2 ARG 12 HH22 ARG 12 -7.587 -6.346 22.196 96 H THR 13 HN THR 13 -6.264 -1.994 16.135 97 HA THR 13 HA THR 13 -3.945 -0.308 15.545 98 HB THR 13 HB THR 13 -6.755 0.538 16.298 99 HG1 THR 13 HG1 THR 13 -7.037 -0.357 14.344 100 1HG2 THR 13 HG21 THR 13 -5.069 2.264 16.699 101 2HG2 THR 13 HG22 THR 13 -6.087 2.699 15.326 102 3HG2 THR 13 HG23 THR 13 -4.463 2.069 15.055 103 H VAL 14 HN VAL 14 -2.697 0.479 17.152 104 HA VAL 14 HA VAL 14 -3.551 -0.215 19.881 105 HB VAL 14 HB VAL 14 -1.132 -0.378 20.418 106 1HG1 VAL 14 HG11 VAL 14 -0.744 -2.504 19.236 107 2HG1 VAL 14 HG12 VAL 14 -2.101 -2.138 18.170 108 3HG1 VAL 14 HG13 VAL 14 -2.376 -2.388 19.894 109 1HG2 VAL 14 HG21 VAL 14 -0.781 -0.050 17.439 110 2HG2 VAL 14 HG22 VAL 14 0.485 -0.515 18.576 111 3HG2 VAL 14 HG23 VAL 14 -0.251 1.084 18.682 112 H THR 15 HN THR 15 -2.545 1.039 21.618 113 HA THR 15 HA THR 15 -2.287 3.882 20.928 114 HB THR 15 HB THR 15 -2.600 2.639 23.670 115 HG1 THR 15 HG1 THR 15 -4.400 2.792 21.729 116 1HG2 THR 15 HG21 THR 15 -3.288 4.898 24.333 117 2HG2 THR 15 HG22 THR 15 -2.999 5.470 22.690 118 3HG2 THR 15 HG23 THR 15 -1.652 4.897 23.673 119 HA PRO 16 HA PRO 16 2.127 3.373 21.295 120 1HB PRO 16 HB2 PRO 16 2.057 6.297 21.775 121 2HB PRO 16 HB1 PRO 16 2.948 5.371 20.560 122 1HG PRO 16 HG2 PRO 16 0.807 6.817 19.887 123 2HG PRO 16 HG1 PRO 16 1.133 5.247 19.130 124 1HD PRO 16 HD2 PRO 16 -0.838 5.950 21.263 125 2HD PRO 16 HD1 PRO 16 -1.006 4.831 19.894 126 H SER 17 HN SER 17 2.853 2.496 23.112 127 HA SER 17 HA SER 17 2.176 3.142 25.722 128 1HB SER 17 HB2 SER 17 3.289 1.039 25.036 129 2HB SER 17 HB1 SER 17 4.778 1.934 24.745 130 HG SER 17 HG SER 17 5.121 2.112 26.856 131 H ALA 18 HN ALA 18 4.673 4.508 23.661 132 HA ALA 18 HA ALA 18 5.197 6.531 25.707 133 1HB ALA 18 HB1 ALA 18 7.605 6.379 25.363 134 2HB ALA 18 HB2 ALA 18 7.370 5.031 24.250 135 3HB ALA 18 HB3 ALA 18 6.956 4.849 25.955 136 H LEU 19 HN LEU 19 6.745 8.243 24.692 137 HA LEU 19 HA LEU 19 5.486 9.110 22.218 138 1HB LEU 19 HB2 LEU 19 7.413 10.440 24.122 139 2HB LEU 19 HB1 LEU 19 6.916 11.175 22.613 140 HG LEU 19 HG LEU 19 4.547 11.106 23.434 141 1HD1 LEU 19 HD11 LEU 19 4.770 9.335 25.095 142 2HD1 LEU 19 HD12 LEU 19 4.152 10.818 25.822 143 3HD1 LEU 19 HD13 LEU 19 5.840 10.359 26.052 144 1HD2 LEU 19 HD21 LEU 19 4.804 13.010 24.924 145 2HD2 LEU 19 HD22 LEU 19 5.913 13.122 23.556 146 3HD2 LEU 19 HD23 LEU 19 6.511 12.622 25.138 147 H GLY 20 HN GLY 20 8.722 8.396 23.444 148 1HA GLY 20 HA2 GLY 20 9.573 7.981 20.647 149 2HA GLY 20 HA1 GLY 20 10.652 8.599 21.894 150 H CYS 21 HN CYS 21 12.127 6.876 21.615 151 HA CYS 21 HA CYS 21 11.324 4.168 21.998 152 1HB CYS 21 HB2 CYS 21 14.036 5.493 22.153 153 2HB CYS 21 HB1 CYS 21 13.789 3.762 22.346 154 HG CYS 21 HG CYS 21 14.296 5.403 19.616 155 H GLU 22 HN GLU 22 10.116 4.086 23.846 156 HA GLU 22 HA GLU 22 10.547 5.080 26.356 157 1HB GLU 22 HB2 GLU 22 8.609 3.703 25.550 158 2HB GLU 22 HB1 GLU 22 9.611 2.273 25.731 159 1HG GLU 22 HG2 GLU 22 9.812 2.771 28.141 160 2HG GLU 22 HG1 GLU 22 8.703 4.126 27.918 161 H GLU 23 HN GLU 23 11.992 2.293 24.853 162 HA GLU 23 HA GLU 23 13.427 1.219 26.992 163 1HB GLU 23 HB2 GLU 23 13.050 0.022 24.939 164 2HB GLU 23 HB1 GLU 23 13.915 1.239 24.017 165 1HG GLU 23 HG2 GLU 23 15.969 0.605 25.305 166 2HG GLU 23 HG1 GLU 23 15.045 -0.755 25.951 167 H CYS 24 HN CYS 24 14.774 3.154 24.307 168 HA CYS 24 HA CYS 24 17.264 3.544 25.520 169 1HB CYS 24 HB2 CYS 24 15.959 5.233 23.380 170 2HB CYS 24 HB1 CYS 24 17.683 5.132 23.727 171 HG CYS 24 HG CYS 24 18.015 3.414 21.844 172 H LEU 25 HN LEU 25 14.289 5.373 25.770 173 HA LEU 25 HA LEU 25 15.385 7.806 26.682 174 1HB LEU 25 HB2 LEU 25 12.671 6.557 26.979 175 2HB LEU 25 HB1 LEU 25 13.054 8.104 27.711 176 HG LEU 25 HG LEU 25 13.265 7.529 24.755 177 1HD1 LEU 25 HD11 LEU 25 11.223 8.848 24.534 178 2HD1 LEU 25 HD12 LEU 25 11.106 8.972 26.289 179 3HD1 LEU 25 HD13 LEU 25 10.944 7.402 25.504 180 1HD2 LEU 25 HD21 LEU 25 13.403 10.096 26.334 181 2HD2 LEU 25 HD22 LEU 25 13.408 9.973 24.574 182 3HD2 LEU 25 HD23 LEU 25 14.745 9.302 25.509 183 H LYS 26 HN LYS 26 14.773 4.797 28.331 184 HA LYS 26 HA LYS 26 14.642 5.894 30.955 185 1HB LYS 26 HB2 LYS 26 14.697 3.672 31.761 186 2HB LYS 26 HB1 LYS 26 13.812 3.604 30.245 187 1HG LYS 26 HG2 LYS 26 15.963 2.888 29.150 188 2HG LYS 26 HG1 LYS 26 16.636 2.726 30.772 189 1HD LYS 26 HD2 LYS 26 14.175 1.295 29.778 190 2HD LYS 26 HD1 LYS 26 15.791 0.592 29.836 191 1HE LYS 26 HE2 LYS 26 15.836 0.895 32.263 192 2HE LYS 26 HE1 LYS 26 14.225 1.611 32.207 193 1HZ LYS 26 HZ1 LYS 26 13.311 -0.447 31.461 194 2HZ LYS 26 HZ2 LYS 26 14.255 -0.773 32.834 195 3HZ LYS 26 HZ3 LYS 26 14.848 -1.144 31.291 196 H ILE 27 HN ILE 27 17.241 5.188 28.809 197 HA ILE 27 HA ILE 27 19.161 5.584 31.012 198 HB ILE 27 HB ILE 27 20.840 4.425 29.595 199 1HG1 ILE 27 HG12 ILE 27 18.432 3.768 27.876 200 2HG1 ILE 27 HG11 ILE 27 19.807 4.760 27.407 201 1HG2 ILE 27 HG21 ILE 27 19.721 3.243 31.383 202 2HG2 ILE 27 HG22 ILE 27 19.969 2.159 30.014 203 3HG2 ILE 27 HG23 ILE 27 18.375 2.849 30.314 204 1HD1 ILE 27 HD11 ILE 27 21.271 2.820 27.584 205 2HD1 ILE 27 HD12 ILE 27 19.950 2.536 26.450 206 3HD1 ILE 27 HD13 ILE 27 19.895 1.828 28.064 207 H GLY 28 HN GLY 28 17.715 7.340 28.813 208 1HA GLY 28 HA2 GLY 28 18.209 9.380 27.880 209 2HA GLY 28 HA1 GLY 28 19.727 9.334 28.763 210 H SER 29 HN SER 29 18.640 6.999 26.362 211 HA SER 29 HA SER 29 20.949 7.750 24.708 212 1HB SER 29 HB2 SER 29 19.362 5.170 24.803 213 2HB SER 29 HB1 SER 29 20.712 5.483 23.715 214 HG SER 29 HG SER 29 21.285 6.009 26.339 215 HA PRO 30 HA PRO 30 18.084 9.173 21.633 216 1HB PRO 30 HB2 PRO 30 19.781 9.454 19.568 217 2HB PRO 30 HB1 PRO 30 19.834 10.527 20.971 218 1HG PRO 30 HG2 PRO 30 21.585 8.205 20.292 219 2HG PRO 30 HG1 PRO 30 22.021 9.771 20.999 220 1HD PRO 30 HD2 PRO 30 21.693 7.447 22.440 221 2HD PRO 30 HD1 PRO 30 21.533 9.078 23.118 222 H TRP 31 HN TRP 31 18.007 8.677 19.018 223 HA TRP 31 HA TRP 31 18.341 5.888 18.411 224 1HB TRP 31 HB2 TRP 31 15.934 5.504 17.913 225 2HB TRP 31 HB1 TRP 31 16.247 5.737 19.629 226 HD1 TRP 31 HD1 TRP 31 14.725 7.582 16.605 227 HE1 TRP 31 HE1 TRP 31 13.099 9.371 17.487 228 HE3 TRP 31 HE3 TRP 31 15.656 7.129 21.611 229 HZ2 TRP 31 HZ2 TRP 31 12.311 10.445 19.975 230 HZ3 TRP 31 HZ3 TRP 31 14.422 8.572 23.174 231 HH2 TRP 31 HH2 TRP 31 12.785 10.196 22.371 232 H VAL 32 HN VAL 32 17.500 5.430 16.162 233 HA VAL 32 HA VAL 32 18.094 7.759 14.492 234 HB VAL 32 HB VAL 32 17.831 4.872 13.629 235 1HG1 VAL 32 HG11 VAL 32 17.578 6.475 11.815 236 2HG1 VAL 32 HG12 VAL 32 19.118 5.626 11.671 237 3HG1 VAL 32 HG13 VAL 32 19.075 7.277 12.290 238 1HG2 VAL 32 HG21 VAL 32 20.280 4.801 13.666 239 2HG2 VAL 32 HG22 VAL 32 19.614 5.084 15.275 240 3HG2 VAL 32 HG23 VAL 32 20.315 6.421 14.362 241 H HIS 33 HN HIS 33 15.792 5.020 14.467 242 HA HIS 33 HA HIS 33 13.712 6.924 13.640 243 1HB HIS 33 HB2 HIS 33 14.144 4.172 12.457 244 2HB HIS 33 HB1 HIS 33 12.726 5.171 12.168 245 HD1 HIS 33 HD1 HIS 33 13.069 7.320 10.681 246 HD2 HIS 33 HD2 HIS 33 16.373 4.799 10.952 247 HE1 HIS 33 HE1 HIS 33 14.638 8.046 8.854 248 HE2 HIS 33 HE2 HIS 33 16.663 6.565 9.081 249 H LEU 34 HN LEU 34 11.487 5.602 13.752 250 HA LEU 34 HA LEU 34 11.425 4.268 16.372 251 1HB LEU 34 HB2 LEU 34 9.684 6.527 15.394 252 2HB LEU 34 HB1 LEU 34 9.274 5.532 16.777 253 HG LEU 34 HG LEU 34 11.795 7.179 16.594 254 1HD1 LEU 34 HD11 LEU 34 10.682 8.756 18.077 255 2HD1 LEU 34 HD12 LEU 34 9.198 7.806 17.995 256 3HD1 LEU 34 HD13 LEU 34 9.808 8.615 16.551 257 1HD2 LEU 34 HD21 LEU 34 10.422 5.810 18.904 258 2HD2 LEU 34 HD22 LEU 34 11.887 6.789 19.000 259 3HD2 LEU 34 HD23 LEU 34 11.901 5.265 18.112 260 H ARG 35 HN ARG 35 10.061 2.580 16.550 261 HA ARG 35 HA ARG 35 8.015 2.153 14.492 262 1HB ARG 35 HB2 ARG 35 10.180 0.205 15.280 263 2HB ARG 35 HB1 ARG 35 8.682 -0.310 14.519 264 1HG ARG 35 HG2 ARG 35 9.180 0.871 12.530 265 2HG ARG 35 HG1 ARG 35 10.526 1.721 13.294 266 1HD ARG 35 HD2 ARG 35 11.750 -0.352 13.518 267 2HD ARG 35 HD1 ARG 35 10.392 -1.257 12.863 268 HE ARG 35 HE ARG 35 10.980 0.539 10.905 269 1HH1 ARG 35 HH11 ARG 35 12.777 -1.900 12.630 270 2HH1 ARG 35 HH12 ARG 35 13.962 -2.120 11.376 271 1HH2 ARG 35 HH21 ARG 35 12.478 0.225 9.206 272 2HH2 ARG 35 HH22 ARG 35 13.773 -0.929 9.406 273 H ILE 36 HN ILE 36 6.235 1.000 15.196 274 HA ILE 36 HA ILE 36 6.230 0.075 17.984 275 HB ILE 36 HB ILE 36 5.239 2.306 18.019 276 1HG1 ILE 36 HG12 ILE 36 3.153 0.129 18.268 277 2HG1 ILE 36 HG11 ILE 36 4.280 0.636 19.522 278 1HG2 ILE 36 HG21 ILE 36 4.566 2.429 15.671 279 2HG2 ILE 36 HG22 ILE 36 3.245 2.869 16.754 280 3HG2 ILE 36 HG23 ILE 36 3.264 1.281 15.987 281 1HD1 ILE 36 HD11 ILE 36 2.069 1.545 19.910 282 2HD1 ILE 36 HD12 ILE 36 2.095 2.320 18.326 283 3HD1 ILE 36 HD13 ILE 36 3.226 2.835 19.578 284 H CYS 37 HN CYS 37 5.138 -1.845 18.268 285 HA CYS 37 HA CYS 37 4.453 -3.388 15.998 286 1HB CYS 37 HB2 CYS 37 3.665 -3.770 18.880 287 2HB CYS 37 HB1 CYS 37 3.345 -4.935 17.609 288 H ARG 38 HN ARG 38 2.497 -3.951 15.110 289 HA ARG 38 HA ARG 38 0.173 -2.343 15.778 290 1HB ARG 38 HB2 ARG 38 0.599 -4.567 13.770 291 2HB ARG 38 HB1 ARG 38 -0.899 -3.663 13.944 292 1HG ARG 38 HG2 ARG 38 1.773 -2.519 13.154 293 2HG ARG 38 HG1 ARG 38 0.415 -2.843 12.074 294 1HD ARG 38 HD2 ARG 38 0.569 -0.828 14.303 295 2HD ARG 38 HD1 ARG 38 0.374 -0.522 12.577 296 HE ARG 38 HE ARG 38 -1.711 -2.016 13.993 297 1HH1 ARG 38 HH11 ARG 38 -0.686 0.911 12.335 298 2HH1 ARG 38 HH12 ARG 38 -2.306 1.529 12.216 299 1HH2 ARG 38 HH21 ARG 38 -3.811 -1.185 13.827 300 2HH2 ARG 38 HH22 ARG 38 -4.069 0.360 13.071 301 H THR 39 HN THR 39 1.216 -4.076 17.818 302 HA THR 39 HA THR 39 -1.010 -5.927 18.200 303 HB THR 39 HB THR 39 1.751 -6.889 18.850 304 HG1 THR 39 HG1 THR 39 0.563 -7.508 16.361 305 1HG2 THR 39 HG21 THR 39 -0.159 -8.146 19.681 306 2HG2 THR 39 HG22 THR 39 0.697 -9.077 18.451 307 3HG2 THR 39 HG23 THR 39 -0.815 -8.262 18.048 308 H CYS 40 HN CYS 40 2.101 -5.401 19.895 309 HA CYS 40 HA CYS 40 0.660 -5.401 22.399 310 1HB CYS 40 HB2 CYS 40 2.776 -5.611 23.493 311 2HB CYS 40 HB1 CYS 40 2.799 -6.666 22.090 312 H GLY 41 HN GLY 41 1.523 -3.021 20.240 313 1HA GLY 41 HA2 GLY 41 1.251 -0.746 20.351 314 2HA GLY 41 HA1 GLY 41 0.580 -0.981 21.953 315 H HIS 42 HN HIS 42 3.728 -2.250 21.665 316 HA HIS 42 HA HIS 42 4.714 -0.012 23.254 317 1HB HIS 42 HB2 HIS 42 5.000 -2.452 23.962 318 2HB HIS 42 HB1 HIS 42 6.201 -2.573 22.679 319 HD1 HIS 42 HD1 HIS 42 8.540 -2.012 23.363 320 HD2 HIS 42 HD2 HIS 42 5.706 -0.340 25.909 321 HE1 HIS 42 HE1 HIS 42 9.847 -0.877 25.186 322 HE2 HIS 42 HE2 HIS 42 8.111 0.046 26.771 323 H VAL 43 HN VAL 43 6.245 1.366 22.602 324 HA VAL 43 HA VAL 43 7.129 1.248 19.828 325 HB VAL 43 HB VAL 43 7.684 3.414 21.867 326 1HG1 VAL 43 HG11 VAL 43 9.134 3.507 19.932 327 2HG1 VAL 43 HG12 VAL 43 7.978 4.838 19.881 328 3HG1 VAL 43 HG13 VAL 43 7.742 3.426 18.852 329 1HG2 VAL 43 HG21 VAL 43 5.288 3.142 21.699 330 2HG2 VAL 43 HG22 VAL 43 5.378 3.193 19.939 331 3HG2 VAL 43 HG23 VAL 43 5.779 4.627 20.884 332 H GLY 44 HN GLY 44 9.272 0.996 19.216 333 1HA GLY 44 HA2 GLY 44 11.261 0.700 21.356 334 2HA GLY 44 HA1 GLY 44 10.981 -0.664 20.283 335 H CYS 45 HN CYS 45 13.466 0.402 20.496 336 HA CYS 45 HA CYS 45 13.980 2.292 18.396 337 1HB CYS 45 HB2 CYS 45 16.372 1.746 18.897 338 2HB CYS 45 HB1 CYS 45 15.455 2.267 20.308 339 HG CYS 45 HG CYS 45 15.357 -0.108 21.572 340 H CYS 46 HN CYS 46 14.835 1.866 16.372 341 HA CYS 46 HA CYS 46 13.988 -0.680 15.321 342 1HB CYS 46 HB2 CYS 46 15.292 1.605 13.846 343 2HB CYS 46 HB1 CYS 46 14.288 0.325 13.170 344 HG CYS 46 HG CYS 46 13.294 2.968 15.089 345 H ASP 47 HN ASP 47 15.508 -1.512 13.416 346 HA ASP 47 HA ASP 47 17.913 -2.416 14.706 347 1HB ASP 47 HB2 ASP 47 18.250 -3.766 12.682 348 2HB ASP 47 HB1 ASP 47 16.619 -3.958 13.312 349 H ASP 48 HN ASP 48 17.060 0.198 12.760 350 HA ASP 48 HA ASP 48 19.673 0.734 11.708 351 1HB ASP 48 HB2 ASP 48 18.711 3.070 11.379 352 2HB ASP 48 HB1 ASP 48 17.892 1.766 10.531 353 H SER 49 HN SER 49 18.081 1.126 14.701 354 HA SER 49 HA SER 49 19.946 3.129 15.673 355 1HB SER 49 HB2 SER 49 17.681 1.737 17.128 356 2HB SER 49 HB1 SER 49 18.535 3.192 17.645 357 HG SER 49 HG SER 49 17.359 3.249 15.110 358 HA PRO 50 HA PRO 50 23.091 0.593 17.252 359 1HB PRO 50 HB2 PRO 50 22.528 1.853 19.902 360 2HB PRO 50 HB1 PRO 50 24.068 1.638 19.062 361 1HG PRO 50 HG2 PRO 50 22.850 3.999 19.058 362 2HG PRO 50 HG1 PRO 50 23.672 3.399 17.606 363 1HD PRO 50 HD2 PRO 50 20.763 3.604 18.186 364 2HD PRO 50 HD1 PRO 50 21.620 3.718 16.638 365 H HIS 51 HN HIS 51 20.289 0.738 19.453 366 HA HIS 51 HA HIS 51 20.974 -1.626 20.868 367 1HB HIS 51 HB2 HIS 51 18.539 0.081 20.669 368 2HB HIS 51 HB1 HIS 51 18.378 -1.522 21.369 369 HD1 HIS 51 HD1 HIS 51 17.789 -0.526 23.647 370 HD2 HIS 51 HD2 HIS 51 21.572 0.534 22.278 371 HE1 HIS 51 HE1 HIS 51 18.936 0.548 25.606 372 HE2 HIS 51 HE2 HIS 51 21.323 0.858 24.840 373 H LYS 52 HN LYS 52 19.051 -1.018 17.993 374 HA LYS 52 HA LYS 52 17.774 -2.326 16.635 375 1HB LYS 52 HB2 LYS 52 19.852 -4.431 17.255 376 2HB LYS 52 HB1 LYS 52 18.816 -4.360 15.840 377 1HG LYS 52 HG2 LYS 52 19.928 -2.172 15.282 378 2HG LYS 52 HG1 LYS 52 21.098 -2.545 16.547 379 1HD LYS 52 HD2 LYS 52 20.516 -4.288 14.152 380 2HD LYS 52 HD1 LYS 52 21.869 -3.169 14.276 381 1HE LYS 52 HE2 LYS 52 22.759 -5.280 14.789 382 2HE LYS 52 HE1 LYS 52 22.566 -4.471 16.341 383 1HZ LYS 52 HZ1 LYS 52 21.823 -6.868 16.199 384 2HZ LYS 52 HZ2 LYS 52 20.509 -6.316 15.272 385 3HZ LYS 52 HZ3 LYS 52 20.716 -5.774 16.866 386 H HIS 53 HN HIS 53 16.653 -2.256 19.113 387 HA HIS 53 HA HIS 53 16.300 -4.912 20.155 388 1HB HIS 53 HB2 HIS 53 16.365 -2.930 21.622 389 2HB HIS 53 HB1 HIS 53 14.875 -2.353 20.889 390 HD1 HIS 53 HD1 HIS 53 13.412 -2.466 22.917 391 HD2 HIS 53 HD2 HIS 53 15.368 -6.054 22.173 392 HE1 HIS 53 HE1 HIS 53 12.358 -4.143 24.469 393 HE2 HIS 53 HE2 HIS 53 13.734 -6.232 24.175 394 H ALA 54 HN ALA 54 14.596 -2.838 17.940 395 HA ALA 54 HA ALA 54 12.024 -3.903 18.114 396 1HB ALA 54 HB1 ALA 54 11.640 -3.015 15.904 397 2HB ALA 54 HB2 ALA 54 13.376 -2.901 15.615 398 3HB ALA 54 HB3 ALA 54 12.618 -1.880 16.836 399 H THR 55 HN THR 55 14.825 -5.072 16.311 400 HA THR 55 HA THR 55 13.390 -7.089 14.885 401 HB THR 55 HB THR 55 15.728 -7.965 14.414 402 HG1 THR 55 HG1 THR 55 17.432 -6.530 15.044 403 1HG2 THR 55 HG21 THR 55 15.176 -5.054 13.826 404 2HG2 THR 55 HG22 THR 55 14.603 -6.430 12.880 405 3HG2 THR 55 HG23 THR 55 16.330 -6.074 12.967 406 H ARG 56 HN ARG 56 15.583 -7.095 17.657 407 HA ARG 56 HA ARG 56 15.441 -9.840 18.237 408 1HB ARG 56 HB2 ARG 56 16.011 -7.479 20.034 409 2HB ARG 56 HB1 ARG 56 16.289 -9.160 20.476 410 1HG ARG 56 HG2 ARG 56 17.984 -9.405 18.841 411 2HG ARG 56 HG1 ARG 56 17.564 -7.870 18.079 412 1HD ARG 56 HD2 ARG 56 19.608 -7.752 19.468 413 2HD ARG 56 HD1 ARG 56 18.339 -6.646 19.992 414 HE ARG 56 HE ARG 56 18.472 -9.225 21.336 415 1HH1 ARG 56 HH11 ARG 56 19.251 -5.818 21.366 416 2HH1 ARG 56 HH12 ARG 56 19.462 -5.740 23.088 417 1HH2 ARG 56 HH21 ARG 56 18.772 -9.153 23.600 418 2HH2 ARG 56 HH22 ARG 56 19.235 -7.654 24.357 419 H HIS 57 HN HIS 57 13.463 -7.111 19.232 420 HA HIS 57 HA HIS 57 11.908 -8.404 21.176 421 1HB HIS 57 HB2 HIS 57 11.868 -6.012 21.022 422 2HB HIS 57 HB1 HIS 57 11.318 -6.068 19.353 423 HD1 HIS 57 HD1 HIS 57 9.967 -7.261 22.738 424 HD2 HIS 57 HD2 HIS 57 8.726 -5.602 19.134 425 HE1 HIS 57 HE1 HIS 57 7.465 -6.886 22.941 426 H PHE 58 HN PHE 58 11.592 -8.209 17.665 427 HA PHE 58 HA PHE 58 9.126 -9.542 17.433 428 1HB PHE 58 HB2 PHE 58 9.929 -8.471 15.482 429 2HB PHE 58 HB1 PHE 58 11.490 -9.278 15.580 430 HD1 PHE 58 HD1 PHE 58 7.935 -10.444 15.538 431 HD2 PHE 58 HD2 PHE 58 11.818 -10.703 13.833 432 HE1 PHE 58 HE1 PHE 58 7.141 -12.195 14.004 433 HE2 PHE 58 HE2 PHE 58 11.035 -12.452 12.295 434 HZ PHE 58 HZ PHE 58 8.692 -13.203 12.381 435 H HIS 59 HN HIS 59 12.450 -10.740 17.576 436 HA HIS 59 HA HIS 59 11.830 -13.473 17.269 437 1HB HIS 59 HB2 HIS 59 14.091 -12.686 16.954 438 2HB HIS 59 HB1 HIS 59 14.167 -12.098 18.611 439 HD1 HIS 59 HD1 HIS 59 13.704 -15.441 16.825 440 HD2 HIS 59 HD2 HIS 59 15.361 -13.845 20.294 441 HE1 HIS 59 HE1 HIS 59 14.847 -17.362 17.983 442 HE2 HIS 59 HE2 HIS 59 15.732 -16.402 20.141 443 H ALA 60 HN ALA 60 11.852 -11.349 20.053 444 HA ALA 60 HA ALA 60 11.702 -13.464 21.979 445 1HB ALA 60 HB1 ALA 60 12.728 -11.301 22.498 446 2HB ALA 60 HB2 ALA 60 11.426 -11.703 23.618 447 3HB ALA 60 HB3 ALA 60 11.152 -10.524 22.336 448 H THR 61 HN THR 61 9.332 -11.093 20.741 449 HA THR 61 HA THR 61 7.269 -12.447 22.323 450 HB THR 61 HB THR 61 5.861 -10.449 21.727 451 HG1 THR 61 HG1 THR 61 8.368 -9.519 20.712 452 1HG2 THR 61 HG21 THR 61 6.977 -8.958 23.313 453 2HG2 THR 61 HG22 THR 61 8.462 -9.898 23.161 454 3HG2 THR 61 HG23 THR 61 7.026 -10.629 23.878 455 H GLY 62 HN GLY 62 8.218 -11.920 19.022 456 1HA GLY 62 HA2 GLY 62 7.414 -13.017 17.139 457 2HA GLY 62 HA1 GLY 62 6.125 -13.698 18.120 458 H HIS 63 HN HIS 63 7.048 -10.322 17.485 459 HA HIS 63 HA HIS 63 4.317 -9.876 16.475 460 1HB HIS 63 HB2 HIS 63 6.207 -7.931 17.830 461 2HB HIS 63 HB1 HIS 63 4.661 -7.479 17.115 462 HD2 HIS 63 HD2 HIS 63 3.198 -10.275 18.366 463 HE1 HIS 63 HE1 HIS 63 3.967 -8.281 22.006 464 HE2 HIS 63 HE2 HIS 63 2.833 -10.272 20.922 465 HA PRO 64 HA PRO 64 6.991 -9.567 12.875 466 1HB PRO 64 HB2 PRO 64 5.284 -10.558 11.084 467 2HB PRO 64 HB1 PRO 64 6.004 -11.586 12.331 468 1HG PRO 64 HG2 PRO 64 3.279 -10.354 12.234 469 2HG PRO 64 HG1 PRO 64 3.750 -11.988 12.733 470 1HD PRO 64 HD2 PRO 64 3.254 -9.898 14.465 471 2HD PRO 64 HD1 PRO 64 4.248 -11.315 14.854 472 H ILE 65 HN ILE 65 4.218 -7.677 13.514 473 HA ILE 65 HA ILE 65 4.734 -6.160 11.048 474 HB ILE 65 HB ILE 65 2.051 -6.600 12.353 475 1HG1 ILE 65 HG12 ILE 65 3.200 -7.267 9.636 476 2HG1 ILE 65 HG11 ILE 65 2.720 -8.406 10.889 477 1HG2 ILE 65 HG21 ILE 65 2.265 -4.255 11.700 478 2HG2 ILE 65 HG22 ILE 65 1.137 -5.101 10.641 479 3HG2 ILE 65 HG23 ILE 65 2.770 -4.743 10.082 480 1HD1 ILE 65 HD11 ILE 65 0.399 -7.768 10.599 481 2HD1 ILE 65 HD12 ILE 65 1.100 -8.293 9.067 482 3HD1 ILE 65 HD13 ILE 65 0.865 -6.575 9.388 483 H ILE 66 HN ILE 66 5.236 -4.144 11.233 484 HA ILE 66 HA ILE 66 4.890 -2.798 13.827 485 HB ILE 66 HB ILE 66 7.080 -1.598 13.122 486 1HG1 ILE 66 HG12 ILE 66 7.318 -4.176 11.554 487 2HG1 ILE 66 HG11 ILE 66 7.102 -2.581 10.846 488 1HG2 ILE 66 HG21 ILE 66 7.109 -4.464 14.061 489 2HG2 ILE 66 HG22 ILE 66 6.885 -3.038 15.075 490 3HG2 ILE 66 HG23 ILE 66 8.424 -3.306 14.256 491 1HD1 ILE 66 HD11 ILE 66 9.452 -3.361 12.545 492 2HD1 ILE 66 HD12 ILE 66 9.246 -1.886 11.597 493 3HD1 ILE 66 HD13 ILE 66 9.423 -3.438 10.784 494 H GLU 67 HN GLU 67 4.188 -0.764 13.794 495 HA GLU 67 HA GLU 67 3.427 0.486 11.276 496 1HB GLU 67 HB2 GLU 67 1.765 0.525 13.014 497 2HB GLU 67 HB1 GLU 67 2.919 1.124 14.189 498 1HG GLU 67 HG2 GLU 67 1.536 2.938 13.659 499 2HG GLU 67 HG1 GLU 67 3.048 3.231 12.807 500 H GLY 68 HN GLY 68 4.178 2.546 10.654 501 1HA GLY 68 HA2 GLY 68 6.884 3.130 11.479 502 2HA GLY 68 HA1 GLY 68 5.954 3.988 10.260 503 H TYR 69 HN TYR 69 7.067 3.990 13.464 504 HA TYR 69 HA TYR 69 5.128 5.927 14.405 505 1HB TYR 69 HB2 TYR 69 6.228 4.051 15.798 506 2HB TYR 69 HB1 TYR 69 7.637 5.106 15.855 507 HD1 TYR 69 HD1 TYR 69 7.370 7.411 16.876 508 HD2 TYR 69 HD2 TYR 69 4.415 4.378 17.247 509 HE1 TYR 69 HE1 TYR 69 6.391 8.603 18.785 510 HE2 TYR 69 HE2 TYR 69 3.427 5.566 19.157 511 HH TYR 69 HH TYR 69 4.405 7.285 20.957 512 H ASP 70 HN ASP 70 8.451 5.808 13.312 513 HA ASP 70 HA ASP 70 9.089 8.511 13.908 514 1HB ASP 70 HB2 ASP 70 10.992 7.263 13.614 515 2HB ASP 70 HB1 ASP 70 10.329 6.348 12.269 516 HA PRO 71 HA PRO 71 7.090 9.572 9.830 517 1HB PRO 71 HB2 PRO 71 6.881 7.770 7.813 518 2HB PRO 71 HB1 PRO 71 8.370 8.663 8.135 519 1HG PRO 71 HG2 PRO 71 7.838 5.826 8.476 520 2HG PRO 71 HG1 PRO 71 9.381 6.687 8.590 521 1HD PRO 71 HD2 PRO 71 7.547 5.843 10.735 522 2HD PRO 71 HD1 PRO 71 9.265 6.288 10.829 523 HA PRO 72 HA PRO 72 3.414 7.184 11.393 524 1HB PRO 72 HB2 PRO 72 2.293 9.751 12.168 525 2HB PRO 72 HB1 PRO 72 2.729 8.378 13.188 526 1HG PRO 72 HG2 PRO 72 4.078 10.743 13.209 527 2HG PRO 72 HG1 PRO 72 4.830 9.186 13.601 528 1HD PRO 72 HD2 PRO 72 4.940 10.759 11.055 529 2HD PRO 72 HD1 PRO 72 6.230 9.856 11.880 530 H GLU 73 HN GLU 73 3.291 7.049 8.965 531 HA GLU 73 HA GLU 73 1.270 8.886 7.877 532 1HB GLU 73 HB2 GLU 73 3.126 7.006 6.409 533 2HB GLU 73 HB1 GLU 73 2.049 8.187 5.676 534 1HG GLU 73 HG2 GLU 73 3.320 9.987 6.783 535 2HG GLU 73 HG1 GLU 73 4.430 8.774 7.422 536 H GLY 74 HN GLY 74 1.652 5.820 9.150 537 1HA GLY 74 HA2 GLY 74 -0.031 4.224 9.432 538 2HA GLY 74 HA1 GLY 74 -0.952 5.001 8.150 539 H TRP 75 HN TRP 75 1.763 2.889 8.848 540 HA TRP 75 HA TRP 75 1.201 1.325 6.502 541 1HB TRP 75 HB2 TRP 75 3.489 1.522 5.542 542 2HB TRP 75 HB1 TRP 75 2.565 3.014 5.433 543 HD1 TRP 75 HD1 TRP 75 3.349 5.059 6.998 544 HE1 TRP 75 HE1 TRP 75 5.618 5.590 8.087 545 HE3 TRP 75 HE3 TRP 75 5.514 0.443 6.619 546 HZ2 TRP 75 HZ2 TRP 75 8.018 4.217 8.698 547 HZ3 TRP 75 HZ3 TRP 75 7.797 0.135 7.481 548 HH2 TRP 75 HH2 TRP 75 9.022 1.985 8.499 549 H GLY 76 HN GLY 76 2.344 -0.686 6.501 550 1HA GLY 76 HA2 GLY 76 3.516 -1.287 9.142 551 2HA GLY 76 HA1 GLY 76 2.316 -2.333 8.400 552 H TRP 77 HN TRP 77 5.341 -2.371 9.156 553 HA TRP 77 HA TRP 77 6.274 -3.619 6.668 554 1HB TRP 77 HB2 TRP 77 7.813 -2.008 7.707 555 2HB TRP 77 HB1 TRP 77 7.776 -2.924 9.208 556 HD1 TRP 77 HD1 TRP 77 9.365 -5.016 9.399 557 HE1 TRP 77 HE1 TRP 77 11.236 -5.967 7.898 558 HE3 TRP 77 HE3 TRP 77 8.464 -2.302 5.159 559 HZ2 TRP 77 HZ2 TRP 77 12.193 -5.608 5.274 560 HZ3 TRP 77 HZ3 TRP 77 9.907 -2.666 3.200 561 HH2 TRP 77 HH2 TRP 77 11.732 -4.285 3.258 562 H CYS 78 HN CYS 78 6.284 -5.768 6.481 563 HA CYS 78 HA CYS 78 5.651 -7.359 8.872 564 1HB CYS 78 HB2 CYS 78 4.550 -7.385 6.333 565 2HB CYS 78 HB1 CYS 78 5.653 -8.755 6.291 566 H TYR 79 HN TYR 79 7.429 -8.054 9.873 567 HA TYR 79 HA TYR 79 10.005 -7.871 8.998 568 1HB TYR 79 HB2 TYR 79 8.732 -9.566 11.100 569 2HB TYR 79 HB1 TYR 79 10.442 -9.775 10.744 570 HD1 TYR 79 HD1 TYR 79 11.817 -7.507 10.676 571 HD2 TYR 79 HD2 TYR 79 8.142 -8.058 12.750 572 HE1 TYR 79 HE1 TYR 79 12.380 -5.630 12.160 573 HE2 TYR 79 HE2 TYR 79 8.693 -6.177 14.235 574 HH TYR 79 HH TYR 79 10.784 -5.031 15.038 575 H VAL 80 HN VAL 80 8.507 -11.102 9.344 576 HA VAL 80 HA VAL 80 10.625 -12.403 8.049 577 HB VAL 80 HB VAL 80 9.065 -14.364 7.866 578 1HG1 VAL 80 HG11 VAL 80 9.271 -13.003 10.548 579 2HG1 VAL 80 HG12 VAL 80 10.484 -14.049 9.809 580 3HG1 VAL 80 HG13 VAL 80 8.923 -14.713 10.291 581 1HG2 VAL 80 HG21 VAL 80 6.895 -14.225 8.975 582 2HG2 VAL 80 HG22 VAL 80 6.973 -13.121 7.601 583 3HG2 VAL 80 HG23 VAL 80 7.134 -12.498 9.243 584 H ASP 81 HN ASP 81 7.852 -10.830 6.746 585 HA ASP 81 HA ASP 81 7.965 -12.196 4.202 586 1HB ASP 81 HB2 ASP 81 6.432 -9.697 4.943 587 2HB ASP 81 HB1 ASP 81 6.158 -10.722 3.539 588 H GLU 82 HN GLU 82 9.122 -9.281 5.668 589 HA GLU 82 HA GLU 82 10.463 -7.592 5.028 590 1HB GLU 82 HB2 GLU 82 11.183 -9.528 2.833 591 2HB GLU 82 HB1 GLU 82 11.987 -7.980 3.064 592 1HG GLU 82 HG2 GLU 82 12.600 -8.694 5.351 593 2HG GLU 82 HG1 GLU 82 11.900 -10.276 5.005 594 H VAL 83 HN VAL 83 7.702 -7.769 4.085 595 HA VAL 83 HA VAL 83 7.936 -5.943 1.791 596 HB VAL 83 HB VAL 83 5.624 -6.527 1.174 597 1HG1 VAL 83 HG11 VAL 83 7.475 -8.898 1.355 598 2HG1 VAL 83 HG12 VAL 83 7.468 -7.671 0.087 599 3HG1 VAL 83 HG13 VAL 83 6.089 -8.754 0.274 600 1HG2 VAL 83 HG21 VAL 83 4.530 -8.480 2.163 601 2HG2 VAL 83 HG22 VAL 83 4.799 -7.216 3.363 602 3HG2 VAL 83 HG23 VAL 83 5.849 -8.632 3.324 603 H MET 84 HN MET 84 6.746 -4.069 1.800 604 HA MET 84 HA MET 84 5.658 -3.266 4.410 605 1HB MET 84 HB2 MET 84 7.574 -1.952 3.508 606 2HB MET 84 HB1 MET 84 6.603 -1.548 2.101 607 1HG MET 84 HG2 MET 84 5.003 -0.392 3.562 608 2HG MET 84 HG1 MET 84 6.029 -0.761 4.948 609 1HE MET 84 HE1 MET 84 8.505 0.191 5.241 610 2HE MET 84 HE2 MET 84 9.284 1.264 4.078 611 3HE MET 84 HE3 MET 84 8.946 -0.411 3.643 612 H PHE 85 HN PHE 85 3.648 -2.180 4.473 613 HA PHE 85 HA PHE 85 2.132 -1.933 1.999 614 1HB PHE 85 HB2 PHE 85 0.148 -3.067 3.128 615 2HB PHE 85 HB1 PHE 85 1.449 -4.130 2.605 616 HD1 PHE 85 HD1 PHE 85 -0.191 -2.591 5.507 617 HD2 PHE 85 HD2 PHE 85 2.757 -5.354 4.175 618 HE1 PHE 85 HE1 PHE 85 -0.027 -3.507 7.783 619 HE2 PHE 85 HE2 PHE 85 2.929 -6.272 6.447 620 HZ PHE 85 HZ PHE 85 1.544 -5.343 8.257 621 H ASP 86 HN ASP 86 -0.060 -0.832 2.531 622 HA ASP 86 HA ASP 86 0.614 1.350 4.357 623 1HB ASP 86 HB2 ASP 86 -0.828 2.733 3.161 624 2HB ASP 86 HB1 ASP 86 -0.188 1.682 1.904 625 H LEU 87 HN LEU 87 -0.734 2.050 5.974 626 HA LEU 87 HA LEU 87 -3.035 0.357 6.661 627 1HB LEU 87 HB2 LEU 87 -0.764 1.176 8.472 628 2HB LEU 87 HB1 LEU 87 -2.315 0.636 9.084 629 HG LEU 87 HG LEU 87 -0.455 -1.014 7.371 630 1HD1 LEU 87 HD11 LEU 87 0.451 -0.630 9.598 631 2HD1 LEU 87 HD12 LEU 87 -0.082 -2.302 9.419 632 3HD1 LEU 87 HD13 LEU 87 -1.071 -1.153 10.320 633 1HD2 LEU 87 HD21 LEU 87 -1.965 -2.857 7.912 634 2HD2 LEU 87 HD22 LEU 87 -2.813 -1.578 7.043 635 3HD2 LEU 87 HD23 LEU 87 -3.019 -1.745 8.787 636 H SER 88 HN SER 88 -2.986 2.866 5.363 637 HA SER 88 HA SER 88 -3.082 5.121 6.983 638 1HB SER 88 HB2 SER 88 -3.002 5.158 4.507 639 2HB SER 88 HB1 SER 88 -4.678 4.615 4.460 640 HG SER 88 HG SER 88 -3.799 7.005 5.736 641 H ASP 89 HN ASP 89 -5.636 2.789 6.231 642 HA ASP 89 HA ASP 89 -7.747 4.309 7.389 643 1HB ASP 89 HB2 ASP 89 -7.467 1.426 6.593 644 2HB ASP 89 HB1 ASP 89 -8.900 1.993 7.442 645 H ARG 90 HN ARG 90 -5.266 2.398 8.763 646 HA ARG 90 HA ARG 90 -6.700 2.343 11.344 647 1HB ARG 90 HB2 ARG 90 -4.856 0.203 10.253 648 2HB ARG 90 HB1 ARG 90 -5.605 0.192 11.841 649 1HG ARG 90 HG2 ARG 90 -7.802 -0.011 10.832 650 2HG ARG 90 HG1 ARG 90 -7.088 0.086 9.220 651 1HD ARG 90 HD2 ARG 90 -5.791 -1.958 9.708 652 2HD ARG 90 HD1 ARG 90 -6.591 -2.068 11.274 653 HE ARG 90 HE ARG 90 -8.707 -2.091 9.706 654 1HH1 ARG 90 HH11 ARG 90 -5.647 -3.749 9.267 655 2HH1 ARG 90 HH12 ARG 90 -6.336 -5.068 8.369 656 1HH2 ARG 90 HH21 ARG 90 -9.619 -3.852 8.536 657 2HH2 ARG 90 HH22 ARG 90 -8.580 -5.125 7.970 658 H MET 91 HN MET 91 -4.713 4.240 10.203 659 HA MET 91 HA MET 91 -2.094 3.624 10.977 660 1HB MET 91 HB2 MET 91 -1.590 5.981 10.650 661 2HB MET 91 HB1 MET 91 -2.614 5.374 9.358 662 1HG MET 91 HG2 MET 91 -4.548 6.427 10.348 663 2HG MET 91 HG1 MET 91 -3.581 6.965 11.721 664 1HE MET 91 HE1 MET 91 -0.854 7.813 10.279 665 2HE MET 91 HE2 MET 91 -1.638 8.750 11.552 666 3HE MET 91 HE3 MET 91 -1.151 9.537 10.051 667 H THR 92 HN THR 92 -0.852 4.040 12.730 668 HA THR 92 HA THR 92 -2.262 4.864 15.171 669 HB THR 92 HB THR 92 0.446 3.531 14.896 670 HG1 THR 92 HG1 THR 92 -1.570 2.319 14.289 671 1HG2 THR 92 HG21 THR 92 0.201 4.812 16.970 672 2HG2 THR 92 HG22 THR 92 0.209 3.079 17.295 673 3HG2 THR 92 HG23 THR 92 -1.311 3.972 17.316 674 HA PRO 93 HA PRO 93 -0.001 8.719 14.557 675 1HB PRO 93 HB2 PRO 93 -1.415 10.176 16.325 676 2HB PRO 93 HB1 PRO 93 -2.061 9.745 14.737 677 1HG PRO 93 HG2 PRO 93 -2.601 8.503 17.404 678 2HG PRO 93 HG1 PRO 93 -3.733 8.873 16.091 679 1HD PRO 93 HD2 PRO 93 -2.697 6.380 16.559 680 2HD PRO 93 HD1 PRO 93 -3.245 6.939 14.966 681 H HIS 94 HN HIS 94 1.348 10.093 15.897 682 HA HIS 94 HA HIS 94 2.776 8.617 17.857 683 1HB HIS 94 HB2 HIS 94 4.147 10.611 18.164 684 2HB HIS 94 HB1 HIS 94 3.881 10.318 16.454 685 HD1 HIS 94 HD1 HIS 94 3.461 12.410 15.197 686 HD2 HIS 94 HD2 HIS 94 2.121 12.681 19.129 687 HE1 HIS 94 HE1 HIS 94 2.564 14.744 15.454 688 HE2 HIS 94 HE2 HIS 94 1.924 14.937 17.885 689 H ASN 95 HN ASN 95 3.037 9.062 20.102 690 HA ASN 95 HA ASN 95 0.559 9.552 21.416 691 1HB ASN 95 HB2 ASN 95 2.276 7.969 22.257 692 2HB ASN 95 HB1 ASN 95 3.335 9.328 22.609 693 1HD2 ASN 95 HD21 ASN 95 2.007 7.210 24.281 694 2HD2 ASN 95 HD22 ASN 95 1.237 8.093 25.552 695 H GLY 96 HN GLY 96 3.644 11.348 21.425 696 1HA GLY 96 HA2 GLY 96 2.199 13.845 21.628 697 2HA GLY 96 HA1 GLY 96 3.130 13.425 23.059 698 HA PRO 97 HA PRO 97 5.965 15.852 20.318 699 1HB PRO 97 HB2 PRO 97 7.033 16.682 22.936 700 2HB PRO 97 HB1 PRO 97 6.506 17.673 21.573 701 1HG PRO 97 HG2 PRO 97 5.075 17.518 23.837 702 2HG PRO 97 HG1 PRO 97 4.299 17.667 22.248 703 1HD PRO 97 HD2 PRO 97 4.657 15.239 23.965 704 2HD PRO 97 HD1 PRO 97 3.249 15.743 23.004 705 H ILE 98 HN ILE 98 7.435 14.519 19.523 706 HA ILE 98 HA ILE 98 8.952 12.752 21.289 707 HB ILE 98 HB ILE 98 8.973 12.881 18.270 708 1HG1 ILE 98 HG12 ILE 98 7.350 11.095 20.096 709 2HG1 ILE 98 HG11 ILE 98 6.707 12.426 19.138 710 1HG2 ILE 98 HG21 ILE 98 10.910 11.769 19.235 711 2HG2 ILE 98 HG22 ILE 98 9.860 10.601 18.433 712 3HG2 ILE 98 HG23 ILE 98 9.855 10.729 20.192 713 1HD1 ILE 98 HD11 ILE 98 7.969 9.909 18.084 714 2HD1 ILE 98 HD12 ILE 98 7.388 11.252 17.095 715 3HD1 ILE 98 HD13 ILE 98 6.253 10.316 18.070 716 HA PRO 99 HA PRO 99 12.511 15.496 21.116 717 1HB PRO 99 HB2 PRO 99 13.930 13.068 22.031 718 2HB PRO 99 HB1 PRO 99 13.843 14.666 22.778 719 1HG PRO 99 HG2 PRO 99 12.537 12.576 23.819 720 2HG PRO 99 HG1 PRO 99 11.840 14.207 23.841 721 1HD PRO 99 HD2 PRO 99 11.219 11.902 22.031 722 2HD PRO 99 HD1 PRO 99 10.116 13.076 22.782 723 H ARG 100 HN ARG 100 12.985 15.788 18.978 724 HA ARG 100 HA ARG 100 13.771 13.555 17.326 725 1HB ARG 100 HB2 ARG 100 12.379 15.481 16.496 726 2HB ARG 100 HB1 ARG 100 13.816 16.490 16.616 727 1HG ARG 100 HG2 ARG 100 13.612 15.797 14.353 728 2HG ARG 100 HG1 ARG 100 14.960 14.900 15.061 729 1HD ARG 100 HD2 ARG 100 13.217 13.078 15.547 730 2HD ARG 100 HD1 ARG 100 12.199 13.938 14.393 731 HE ARG 100 HE ARG 100 14.809 13.385 13.347 732 1HH1 ARG 100 HH11 ARG 100 11.587 12.115 13.833 733 2HH1 ARG 100 HH12 ARG 100 11.766 10.830 12.670 734 1HH2 ARG 100 HH21 ARG 100 15.067 11.689 11.824 735 2HH2 ARG 100 HH22 ARG 100 13.731 10.614 11.516 736 H TYR 101 HN TYR 101 15.779 12.903 16.946 737 HA TYR 101 HA TYR 101 17.987 14.640 17.802 738 1HB TYR 101 HB2 TYR 101 17.951 11.641 17.390 739 2HB TYR 101 HB1 TYR 101 19.340 12.582 17.928 740 HD1 TYR 101 HD1 TYR 101 19.093 13.893 20.127 741 HD2 TYR 101 HD2 TYR 101 16.422 10.801 18.945 742 HE1 TYR 101 HE1 TYR 101 18.354 13.647 22.460 743 HE2 TYR 101 HE2 TYR 101 15.675 10.550 21.272 744 HH TYR 101 HH TYR 101 16.361 12.818 23.683 745 H VAL 102 HN VAL 102 17.282 12.183 15.306 746 HA VAL 102 HA VAL 102 18.851 13.813 13.428 747 HB VAL 102 HB VAL 102 19.130 11.619 12.135 748 1HG1 VAL 102 HG11 VAL 102 20.965 12.692 13.311 749 2HG1 VAL 102 HG12 VAL 102 21.059 10.941 13.507 750 3HG1 VAL 102 HG13 VAL 102 20.458 11.945 14.825 751 1HG2 VAL 102 HG21 VAL 102 19.046 9.567 13.491 752 2HG2 VAL 102 HG22 VAL 102 17.452 10.298 13.310 753 3HG2 VAL 102 HG23 VAL 102 18.341 10.484 14.822 Start of MODEL 17 1 1H MET 1 HT1 MET 1 6.589 0.782 -1.162 2 2H MET 1 HT2 MET 1 5.411 0.437 -2.332 3 3H MET 1 HT3 MET 1 6.592 -0.716 -1.950 4 HA MET 1 HA MET 1 5.732 -1.021 0.224 5 1HB MET 1 HB2 MET 1 3.807 0.154 1.051 6 2HB MET 1 HB1 MET 1 4.975 1.351 0.508 7 1HG MET 1 HG2 MET 1 3.722 1.685 -1.536 8 2HG MET 1 HG1 MET 1 2.579 0.430 -1.062 9 1HE MET 1 HE1 MET 1 1.559 3.255 -1.947 10 2HE MET 1 HE2 MET 1 0.372 3.608 -0.692 11 3HE MET 1 HE3 MET 1 0.491 1.979 -1.358 12 H THR 2 HN THR 2 3.926 -2.410 0.681 13 HA THR 2 HA THR 2 2.459 -3.269 -1.729 14 HB THR 2 HB THR 2 4.218 -4.905 -1.040 15 HG1 THR 2 HG1 THR 2 2.717 -6.076 -2.000 16 1HG2 THR 2 HG21 THR 2 4.255 -4.553 1.343 17 2HG2 THR 2 HG22 THR 2 3.820 -6.233 1.021 18 3HG2 THR 2 HG23 THR 2 2.576 -5.073 1.484 19 H MET 3 HN MET 3 0.703 -5.030 -0.534 20 HA MET 3 HA MET 3 -0.827 -3.240 1.227 21 1HB MET 3 HB2 MET 3 -1.756 -5.422 -0.641 22 2HB MET 3 HB1 MET 3 -2.811 -4.612 0.511 23 1HG MET 3 HG2 MET 3 -1.312 -3.309 -1.750 24 2HG MET 3 HG1 MET 3 -3.043 -3.643 -1.695 25 1HE MET 3 HE1 MET 3 -2.653 0.308 -1.395 26 2HE MET 3 HE2 MET 3 -3.309 -1.000 -2.378 27 3HE MET 3 HE3 MET 3 -1.564 -0.775 -2.261 28 H GLY 4 HN GLY 4 -2.407 -4.528 2.664 29 1HA GLY 4 HA2 GLY 4 -0.935 -5.737 4.664 30 2HA GLY 4 HA1 GLY 4 -2.677 -5.864 4.501 31 H CYS 5 HN CYS 5 -0.630 -7.782 5.407 32 HA CYS 5 HA CYS 5 -1.070 -9.940 3.456 33 1HB CYS 5 HB2 CYS 5 0.807 -11.093 4.488 34 2HB CYS 5 HB1 CYS 5 1.303 -9.463 4.040 35 H ARG 6 HN ARG 6 -1.253 -12.152 4.620 36 HA ARG 6 HA ARG 6 -3.610 -12.329 5.981 37 1HB ARG 6 HB2 ARG 6 -3.081 -14.617 6.470 38 2HB ARG 6 HB1 ARG 6 -2.433 -14.217 4.891 39 1HG ARG 6 HG2 ARG 6 -0.798 -14.323 7.420 40 2HG ARG 6 HG1 ARG 6 -0.959 -15.653 6.277 41 1HD ARG 6 HD2 ARG 6 0.264 -12.946 5.760 42 2HD ARG 6 HD1 ARG 6 1.109 -14.487 5.868 43 HE ARG 6 HE ARG 6 -0.770 -14.739 3.834 44 1HH1 ARG 6 HH11 ARG 6 2.151 -12.910 4.503 45 2HH1 ARG 6 HH12 ARG 6 2.506 -12.612 2.832 46 1HH2 ARG 6 HH21 ARG 6 -0.267 -14.403 1.630 47 2HH2 ARG 6 HH22 ARG 6 1.141 -13.485 1.193 48 H HIS 7 HN HIS 7 -0.469 -11.737 7.380 49 HA HIS 7 HA HIS 7 -1.104 -12.316 10.066 50 1HB HIS 7 HB2 HIS 7 0.993 -10.495 8.881 51 2HB HIS 7 HB1 HIS 7 0.877 -10.864 10.599 52 HD2 HIS 7 HD2 HIS 7 1.043 -13.795 11.055 53 HE1 HIS 7 HE1 HIS 7 3.651 -14.171 7.747 54 HE2 HIS 7 HE2 HIS 7 2.862 -15.247 9.901 55 H VAL 8 HN VAL 8 -1.883 -9.634 8.045 56 HA VAL 8 HA VAL 8 -2.134 -7.607 9.983 57 HB VAL 8 HB VAL 8 -2.609 -7.848 7.196 58 1HG1 VAL 8 HG11 VAL 8 -4.951 -6.601 8.629 59 2HG1 VAL 8 HG12 VAL 8 -4.993 -8.072 7.655 60 3HG1 VAL 8 HG13 VAL 8 -4.639 -6.521 6.894 61 1HG2 VAL 8 HG21 VAL 8 -2.503 -5.405 7.274 62 2HG2 VAL 8 HG22 VAL 8 -1.255 -6.152 8.272 63 3HG2 VAL 8 HG23 VAL 8 -2.691 -5.460 9.026 64 H ALA 9 HN ALA 9 -4.217 -10.256 9.080 65 HA ALA 9 HA ALA 9 -6.569 -9.274 10.337 66 1HB ALA 9 HB1 ALA 9 -5.784 -12.123 9.729 67 2HB ALA 9 HB2 ALA 9 -6.627 -11.031 8.631 68 3HB ALA 9 HB3 ALA 9 -7.405 -11.554 10.125 69 H GLY 10 HN GLY 10 -3.664 -10.653 11.515 70 1HA GLY 10 HA2 GLY 10 -4.838 -11.589 14.005 71 2HA GLY 10 HA1 GLY 10 -3.149 -11.705 13.538 72 H ILE 11 HN ILE 11 -2.978 -8.852 12.841 73 HA ILE 11 HA ILE 11 -2.272 -7.932 15.464 74 HB ILE 11 HB ILE 11 -1.501 -5.877 14.364 75 1HG1 ILE 11 HG12 ILE 11 -2.456 -7.146 11.787 76 2HG1 ILE 11 HG11 ILE 11 -3.290 -5.835 12.612 77 1HG2 ILE 11 HG21 ILE 11 -0.650 -8.434 13.020 78 2HG2 ILE 11 HG22 ILE 11 0.007 -7.749 14.507 79 3HG2 ILE 11 HG23 ILE 11 0.248 -6.917 12.971 80 1HD1 ILE 11 HD11 ILE 11 -1.953 -5.031 10.744 81 2HD1 ILE 11 HD12 ILE 11 -0.502 -5.704 11.489 82 3HD1 ILE 11 HD13 ILE 11 -1.368 -4.386 12.279 83 H ARG 12 HN ARG 12 -3.008 -6.046 16.496 84 HA ARG 12 HA ARG 12 -5.711 -5.165 15.704 85 1HB ARG 12 HB2 ARG 12 -6.221 -4.856 18.080 86 2HB ARG 12 HB1 ARG 12 -5.762 -6.525 17.769 87 1HG ARG 12 HG2 ARG 12 -3.687 -6.276 18.808 88 2HG ARG 12 HG1 ARG 12 -3.752 -4.516 18.722 89 1HD ARG 12 HD2 ARG 12 -4.134 -5.198 20.989 90 2HD ARG 12 HD1 ARG 12 -5.636 -4.555 20.329 91 HE ARG 12 HE ARG 12 -5.069 -7.435 20.656 92 1HH1 ARG 12 HH11 ARG 12 -7.289 -4.721 20.596 93 2HH1 ARG 12 HH12 ARG 12 -8.636 -5.654 21.170 94 1HH2 ARG 12 HH21 ARG 12 -6.853 -8.658 21.393 95 2HH2 ARG 12 HH22 ARG 12 -8.402 -7.891 21.591 96 H THR 13 HN THR 13 -6.197 -2.918 16.740 97 HA THR 13 HA THR 13 -3.955 -1.156 16.351 98 HB THR 13 HB THR 13 -5.663 0.537 17.424 99 HG1 THR 13 HG1 THR 13 -7.769 -0.088 17.296 100 1HG2 THR 13 HG21 THR 13 -4.894 0.565 15.108 101 2HG2 THR 13 HG22 THR 13 -6.617 0.932 15.217 102 3HG2 THR 13 HG23 THR 13 -6.086 -0.667 14.693 103 H VAL 14 HN VAL 14 -2.513 -0.654 17.815 104 HA VAL 14 HA VAL 14 -3.023 -1.560 20.565 105 HB VAL 14 HB VAL 14 -0.525 -1.712 20.752 106 1HG1 VAL 14 HG11 VAL 14 -1.820 -3.409 18.622 107 2HG1 VAL 14 HG12 VAL 14 -1.912 -3.681 20.362 108 3HG1 VAL 14 HG13 VAL 14 -0.364 -3.820 19.529 109 1HG2 VAL 14 HG21 VAL 14 0.771 -1.815 18.663 110 2HG2 VAL 14 HG22 VAL 14 0.088 -0.211 18.937 111 3HG2 VAL 14 HG23 VAL 14 -0.655 -1.299 17.764 112 H THR 15 HN THR 15 -2.051 -0.400 22.294 113 HA THR 15 HA THR 15 -2.084 2.486 21.811 114 HB THR 15 HB THR 15 -2.123 0.973 24.436 115 HG1 THR 15 HG1 THR 15 -4.134 1.755 22.634 116 1HG2 THR 15 HG21 THR 15 -2.927 3.098 25.371 117 2HG2 THR 15 HG22 THR 15 -2.736 3.862 23.793 118 3HG2 THR 15 HG23 THR 15 -1.321 3.270 24.664 119 HA PRO 16 HA PRO 16 2.379 2.524 22.058 120 1HB PRO 16 HB2 PRO 16 2.637 5.233 22.370 121 2HB PRO 16 HB1 PRO 16 2.377 4.442 20.812 122 1HG PRO 16 HG2 PRO 16 0.404 5.800 22.601 123 2HG PRO 16 HG1 PRO 16 0.543 5.861 20.835 124 1HD PRO 16 HD2 PRO 16 -1.291 4.326 22.076 125 2HD PRO 16 HD1 PRO 16 -0.521 3.831 20.555 126 H SER 17 HN SER 17 3.453 1.952 23.821 127 HA SER 17 HA SER 17 2.570 2.498 26.445 128 1HB SER 17 HB2 SER 17 3.867 0.489 25.840 129 2HB SER 17 HB1 SER 17 5.273 1.500 25.511 130 HG SER 17 HG SER 17 4.038 0.899 27.978 131 H ALA 18 HN ALA 18 4.883 4.072 24.339 132 HA ALA 18 HA ALA 18 5.046 6.302 26.193 133 1HB ALA 18 HB1 ALA 18 6.912 4.851 26.867 134 2HB ALA 18 HB2 ALA 18 7.476 6.380 26.194 135 3HB ALA 18 HB3 ALA 18 7.542 4.911 25.221 136 H LEU 19 HN LEU 19 6.686 7.984 25.084 137 HA LEU 19 HA LEU 19 5.584 8.640 22.541 138 1HB LEU 19 HB2 LEU 19 7.892 9.780 24.112 139 2HB LEU 19 HB1 LEU 19 7.384 10.426 22.564 140 HG LEU 19 HG LEU 19 5.633 10.291 25.020 141 1HD1 LEU 19 HD11 LEU 19 5.958 12.710 25.138 142 2HD1 LEU 19 HD12 LEU 19 7.096 12.626 23.793 143 3HD1 LEU 19 HD13 LEU 19 7.486 11.850 25.327 144 1HD2 LEU 19 HD21 LEU 19 4.161 11.761 23.736 145 2HD2 LEU 19 HD22 LEU 19 4.390 10.212 22.924 146 3HD2 LEU 19 HD23 LEU 19 5.248 11.643 22.352 147 H GLY 20 HN GLY 20 8.943 7.954 23.493 148 1HA GLY 20 HA2 GLY 20 9.439 7.069 20.732 149 2HA GLY 20 HA1 GLY 20 10.664 7.730 21.805 150 H CYS 21 HN CYS 21 11.992 5.920 21.466 151 HA CYS 21 HA CYS 21 11.148 3.261 21.912 152 1HB CYS 21 HB2 CYS 21 13.929 4.439 22.041 153 2HB CYS 21 HB1 CYS 21 13.552 2.722 21.959 154 HG CYS 21 HG CYS 21 11.996 3.917 19.449 155 H GLU 22 HN GLU 22 10.444 2.518 23.760 156 HA GLU 22 HA GLU 22 10.691 3.581 26.289 157 1HB GLU 22 HB2 GLU 22 10.471 0.654 25.572 158 2HB GLU 22 HB1 GLU 22 10.021 1.380 27.108 159 1HG GLU 22 HG2 GLU 22 8.171 2.470 26.179 160 2HG GLU 22 HG1 GLU 22 8.747 2.220 24.530 161 H GLU 23 HN GLU 23 12.679 1.101 24.755 162 HA GLU 23 HA GLU 23 14.354 0.518 26.910 163 1HB GLU 23 HB2 GLU 23 14.223 -0.914 24.963 164 2HB GLU 23 HB1 GLU 23 14.865 0.362 23.939 165 1HG GLU 23 HG2 GLU 23 16.978 0.270 25.200 166 2HG GLU 23 HG1 GLU 23 16.327 -1.073 26.141 167 H CYS 24 HN CYS 24 14.766 2.875 24.277 168 HA CYS 24 HA CYS 24 17.348 3.686 25.059 169 1HB CYS 24 HB2 CYS 24 15.251 5.145 23.445 170 2HB CYS 24 HB1 CYS 24 16.928 5.655 23.600 171 HG CYS 24 HG CYS 24 17.312 4.539 21.290 172 H LEU 25 HN LEU 25 14.160 4.617 26.111 173 HA LEU 25 HA LEU 25 14.851 7.108 27.267 174 1HB LEU 25 HB2 LEU 25 12.554 5.230 27.782 175 2HB LEU 25 HB1 LEU 25 12.700 6.802 28.544 176 HG LEU 25 HG LEU 25 12.502 6.335 25.566 177 1HD1 LEU 25 HD11 LEU 25 10.453 7.338 27.538 178 2HD1 LEU 25 HD12 LEU 25 10.418 5.789 26.696 179 3HD1 LEU 25 HD13 LEU 25 10.259 7.291 25.786 180 1HD2 LEU 25 HD21 LEU 25 12.467 8.879 27.188 181 2HD2 LEU 25 HD22 LEU 25 12.200 8.760 25.449 182 3HD2 LEU 25 HD23 LEU 25 13.771 8.340 26.130 183 H LYS 26 HN LYS 26 15.317 3.858 28.356 184 HA LYS 26 HA LYS 26 15.262 4.440 31.156 185 1HB LYS 26 HB2 LYS 26 15.960 2.206 31.510 186 2HB LYS 26 HB1 LYS 26 14.912 2.158 30.100 187 1HG LYS 26 HG2 LYS 26 16.930 2.159 28.661 188 2HG LYS 26 HG1 LYS 26 17.918 2.069 30.117 189 1HD LYS 26 HD2 LYS 26 15.856 0.039 29.273 190 2HD LYS 26 HD1 LYS 26 17.601 -0.131 29.074 191 1HE LYS 26 HE2 LYS 26 17.826 0.103 31.551 192 2HE LYS 26 HE1 LYS 26 16.068 0.060 31.661 193 1HZ LYS 26 HZ1 LYS 26 16.144 -2.139 30.574 194 2HZ LYS 26 HZ2 LYS 26 16.933 -2.112 32.071 195 3HZ LYS 26 HZ3 LYS 26 17.838 -2.093 30.635 196 H ILE 27 HN ILE 27 17.614 4.872 28.690 197 HA ILE 27 HA ILE 27 19.644 5.426 30.758 198 HB ILE 27 HB ILE 27 21.376 4.846 29.015 199 1HG1 ILE 27 HG12 ILE 27 19.005 3.516 27.680 200 2HG1 ILE 27 HG11 ILE 27 19.879 4.911 27.056 201 1HG2 ILE 27 HG21 ILE 27 19.589 2.644 30.029 202 2HG2 ILE 27 HG22 ILE 27 20.929 3.392 30.895 203 3HG2 ILE 27 HG23 ILE 27 21.239 2.432 29.449 204 1HD1 ILE 27 HD11 ILE 27 20.549 2.878 25.922 205 2HD1 ILE 27 HD12 ILE 27 21.008 2.152 27.462 206 3HD1 ILE 27 HD13 ILE 27 21.894 3.547 26.845 207 H GLY 28 HN GLY 28 17.730 6.765 28.420 208 1HA GLY 28 HA2 GLY 28 17.708 8.914 27.561 209 2HA GLY 28 HA1 GLY 28 19.234 9.215 28.382 210 H SER 29 HN SER 29 18.311 6.816 25.952 211 HA SER 29 HA SER 29 20.613 7.648 24.337 212 1HB SER 29 HB2 SER 29 20.534 5.275 24.973 213 2HB SER 29 HB1 SER 29 18.940 5.120 24.239 214 HG SER 29 HG SER 29 20.087 5.867 22.244 215 HA PRO 30 HA PRO 30 17.823 9.354 21.303 216 1HB PRO 30 HB2 PRO 30 19.524 9.470 19.204 217 2HB PRO 30 HB1 PRO 30 19.625 10.588 20.569 218 1HG PRO 30 HG2 PRO 30 21.235 8.125 20.017 219 2HG PRO 30 HG1 PRO 30 21.780 9.711 20.597 220 1HD PRO 30 HD2 PRO 30 21.402 7.593 22.250 221 2HD PRO 30 HD1 PRO 30 21.152 9.272 22.768 222 H TRP 31 HN TRP 31 17.124 8.855 19.015 223 HA TRP 31 HA TRP 31 17.557 6.133 18.134 224 1HB TRP 31 HB2 TRP 31 15.079 5.707 17.976 225 2HB TRP 31 HB1 TRP 31 15.718 5.729 19.615 226 HD1 TRP 31 HD1 TRP 31 13.744 8.038 17.205 227 HE1 TRP 31 HE1 TRP 31 12.233 9.562 18.627 228 HE3 TRP 31 HE3 TRP 31 15.294 6.608 21.863 229 HZ2 TRP 31 HZ2 TRP 31 11.755 10.080 21.354 230 HZ3 TRP 31 HZ3 TRP 31 14.255 7.665 23.825 231 HH2 TRP 31 HH2 TRP 31 12.522 9.367 23.574 232 H VAL 32 HN VAL 32 16.673 5.749 15.993 233 HA VAL 32 HA VAL 32 16.761 8.188 14.404 234 HB VAL 32 HB VAL 32 16.719 5.323 13.435 235 1HG1 VAL 32 HG11 VAL 32 16.034 6.903 11.736 236 2HG1 VAL 32 HG12 VAL 32 17.649 6.295 11.369 237 3HG1 VAL 32 HG13 VAL 32 17.449 7.905 12.059 238 1HG2 VAL 32 HG21 VAL 32 19.141 5.548 13.151 239 2HG2 VAL 32 HG22 VAL 32 18.670 5.700 14.844 240 3HG2 VAL 32 HG23 VAL 32 19.081 7.138 13.911 241 H HIS 33 HN HIS 33 14.857 5.174 14.121 242 HA HIS 33 HA HIS 33 12.479 6.855 13.720 243 1HB HIS 33 HB2 HIS 33 13.195 4.340 12.196 244 2HB HIS 33 HB1 HIS 33 11.640 5.157 12.100 245 HD1 HIS 33 HD1 HIS 33 14.579 4.842 10.230 246 HD2 HIS 33 HD2 HIS 33 12.235 8.096 11.350 247 HE1 HIS 33 HE1 HIS 33 15.141 6.682 8.605 248 HE2 HIS 33 HE2 HIS 33 13.826 8.685 9.398 249 H LEU 34 HN LEU 34 10.571 6.082 14.547 250 HA LEU 34 HA LEU 34 10.855 3.986 16.558 251 1HB LEU 34 HB2 LEU 34 8.615 5.946 16.068 252 2HB LEU 34 HB1 LEU 34 8.703 4.812 17.403 253 HG LEU 34 HG LEU 34 10.591 7.111 16.916 254 1HD1 LEU 34 HD11 LEU 34 8.437 6.686 18.975 255 2HD1 LEU 34 HD12 LEU 34 8.384 7.824 17.628 256 3HD1 LEU 34 HD13 LEU 34 9.561 8.044 18.923 257 1HD2 LEU 34 HD21 LEU 34 11.704 5.202 17.960 258 2HD2 LEU 34 HD22 LEU 34 10.441 5.137 19.191 259 3HD2 LEU 34 HD23 LEU 34 11.513 6.535 19.099 260 H ARG 35 HN ARG 35 9.916 2.059 16.377 261 HA ARG 35 HA ARG 35 7.708 1.788 14.464 262 1HB ARG 35 HB2 ARG 35 9.894 -0.243 14.970 263 2HB ARG 35 HB1 ARG 35 8.468 -0.520 13.979 264 1HG ARG 35 HG2 ARG 35 9.218 1.371 12.517 265 2HG ARG 35 HG1 ARG 35 10.720 1.407 13.444 266 1HD ARG 35 HD2 ARG 35 10.995 -1.031 12.871 267 2HD ARG 35 HD1 ARG 35 9.641 -0.845 11.762 268 HE ARG 35 HE ARG 35 11.243 1.059 10.865 269 1HH1 ARG 35 HH11 ARG 35 11.957 -2.231 11.807 270 2HH1 ARG 35 HH12 ARG 35 13.345 -2.379 10.763 271 1HH2 ARG 35 HH21 ARG 35 13.085 0.881 9.483 272 2HH2 ARG 35 HH22 ARG 35 14.003 -0.604 9.478 273 H ILE 36 HN ILE 36 5.915 1.245 15.441 274 HA ILE 36 HA ILE 36 6.059 0.229 18.191 275 HB ILE 36 HB ILE 36 4.747 2.249 17.958 276 1HG1 ILE 36 HG12 ILE 36 2.942 -0.145 18.364 277 2HG1 ILE 36 HG11 ILE 36 4.017 0.534 19.581 278 1HG2 ILE 36 HG21 ILE 36 4.133 2.110 15.624 279 2HG2 ILE 36 HG22 ILE 36 2.688 2.314 16.614 280 3HG2 ILE 36 HG23 ILE 36 3.087 0.728 15.955 281 1HD1 ILE 36 HD11 ILE 36 1.722 1.236 19.929 282 2HD1 ILE 36 HD12 ILE 36 1.680 1.939 18.312 283 3HD1 ILE 36 HD13 ILE 36 2.752 2.613 19.539 284 H CYS 37 HN CYS 37 5.580 -1.717 18.663 285 HA CYS 37 HA CYS 37 5.119 -3.619 16.594 286 1HB CYS 37 HB2 CYS 37 6.576 -3.967 18.549 287 2HB CYS 37 HB1 CYS 37 5.165 -3.923 19.590 288 H ARG 38 HN ARG 38 3.194 -4.088 15.763 289 HA ARG 38 HA ARG 38 0.806 -3.003 16.891 290 1HB ARG 38 HB2 ARG 38 1.356 -4.698 14.467 291 2HB ARG 38 HB1 ARG 38 -0.265 -4.181 14.907 292 1HG ARG 38 HG2 ARG 38 2.017 -2.285 14.420 293 2HG ARG 38 HG1 ARG 38 0.857 -2.775 13.183 294 1HD ARG 38 HD2 ARG 38 0.249 -1.324 15.759 295 2HD ARG 38 HD1 ARG 38 0.194 -0.651 14.129 296 HE ARG 38 HE ARG 38 -1.600 -2.827 14.994 297 1HH1 ARG 38 HH11 ARG 38 -1.076 0.310 13.514 298 2HH1 ARG 38 HH12 ARG 38 -2.728 0.461 12.979 299 1HH2 ARG 38 HH21 ARG 38 -3.750 -2.629 14.283 300 2HH2 ARG 38 HH22 ARG 38 -4.242 -1.220 13.404 301 H THR 39 HN THR 39 2.322 -5.610 17.974 302 HA THR 39 HA THR 39 -0.130 -7.194 18.285 303 HB THR 39 HB THR 39 2.653 -8.124 18.973 304 HG1 THR 39 HG1 THR 39 1.519 -9.026 16.603 305 1HG2 THR 39 HG21 THR 39 0.094 -9.592 18.324 306 2HG2 THR 39 HG22 THR 39 0.822 -9.424 19.922 307 3HG2 THR 39 HG23 THR 39 1.649 -10.348 18.667 308 H CYS 40 HN CYS 40 2.407 -5.540 20.097 309 HA CYS 40 HA CYS 40 0.899 -6.125 22.551 310 1HB CYS 40 HB2 CYS 40 2.980 -6.368 23.807 311 2HB CYS 40 HB1 CYS 40 2.920 -7.521 22.484 312 H GLY 41 HN GLY 41 1.912 -3.746 20.508 313 1HA GLY 41 HA2 GLY 41 1.477 -1.492 20.701 314 2HA GLY 41 HA1 GLY 41 0.965 -1.778 22.354 315 H HIS 42 HN HIS 42 4.094 -2.960 21.741 316 HA HIS 42 HA HIS 42 5.139 -0.723 23.300 317 1HB HIS 42 HB2 HIS 42 6.112 -3.521 22.827 318 2HB HIS 42 HB1 HIS 42 7.207 -2.280 23.430 319 HD1 HIS 42 HD1 HIS 42 6.823 -1.410 25.834 320 HD2 HIS 42 HD2 HIS 42 4.163 -4.387 24.652 321 HE1 HIS 42 HE1 HIS 42 5.676 -2.177 27.937 322 HE2 HIS 42 HE2 HIS 42 3.965 -3.865 27.183 323 H VAL 43 HN VAL 43 6.887 0.486 22.708 324 HA VAL 43 HA VAL 43 7.247 0.651 19.803 325 HB VAL 43 HB VAL 43 8.093 2.638 21.921 326 1HG1 VAL 43 HG11 VAL 43 8.228 4.209 20.032 327 2HG1 VAL 43 HG12 VAL 43 7.850 2.889 18.924 328 3HG1 VAL 43 HG13 VAL 43 9.347 2.857 19.857 329 1HG2 VAL 43 HG21 VAL 43 5.681 2.392 21.955 330 2HG2 VAL 43 HG22 VAL 43 5.611 2.598 20.205 331 3HG2 VAL 43 HG23 VAL 43 6.119 3.940 21.231 332 H GLY 44 HN GLY 44 9.061 0.009 18.860 333 1HA GLY 44 HA2 GLY 44 11.400 -0.474 20.598 334 2HA GLY 44 HA1 GLY 44 10.960 -1.518 19.254 335 H CYS 45 HN CYS 45 13.435 -0.055 19.802 336 HA CYS 45 HA CYS 45 13.669 2.006 17.851 337 1HB CYS 45 HB2 CYS 45 16.175 1.503 18.199 338 2HB CYS 45 HB1 CYS 45 15.258 2.097 19.580 339 HG CYS 45 HG CYS 45 16.118 0.231 21.112 340 H CYS 46 HN CYS 46 13.976 1.836 15.750 341 HA CYS 46 HA CYS 46 13.571 -0.652 14.468 342 1HB CYS 46 HB2 CYS 46 13.820 0.667 12.394 343 2HB CYS 46 HB1 CYS 46 12.718 1.421 13.543 344 HG CYS 46 HG CYS 46 14.867 2.984 11.975 345 H ASP 47 HN ASP 47 14.983 -1.110 12.427 346 HA ASP 47 HA ASP 47 17.557 -1.887 13.364 347 1HB ASP 47 HB2 ASP 47 17.796 -2.582 10.851 348 2HB ASP 47 HB1 ASP 47 16.717 -3.471 11.919 349 H ASP 48 HN ASP 48 16.442 0.994 12.064 350 HA ASP 48 HA ASP 48 18.842 1.821 10.738 351 1HB ASP 48 HB2 ASP 48 16.805 3.628 12.063 352 2HB ASP 48 HB1 ASP 48 17.953 4.068 10.810 353 H SER 49 HN SER 49 17.817 1.472 13.973 354 HA SER 49 HA SER 49 19.782 3.321 15.070 355 1HB SER 49 HB2 SER 49 17.548 3.270 16.078 356 2HB SER 49 HB1 SER 49 17.712 1.545 16.399 357 HG SER 49 HG SER 49 19.021 3.718 17.626 358 HA PRO 50 HA PRO 50 22.878 0.189 15.777 359 1HB PRO 50 HB2 PRO 50 23.986 1.174 18.082 360 2HB PRO 50 HB1 PRO 50 24.337 1.806 16.470 361 1HG PRO 50 HG2 PRO 50 22.438 2.841 18.540 362 2HG PRO 50 HG1 PRO 50 23.561 3.739 17.499 363 1HD PRO 50 HD2 PRO 50 20.937 3.595 16.947 364 2HD PRO 50 HD1 PRO 50 22.160 3.604 15.659 365 H HIS 51 HN HIS 51 20.291 0.806 17.906 366 HA HIS 51 HA HIS 51 20.933 -1.259 19.816 367 1HB HIS 51 HB2 HIS 51 18.626 0.580 19.363 368 2HB HIS 51 HB1 HIS 51 18.363 -0.868 20.323 369 HD1 HIS 51 HD1 HIS 51 18.323 -0.188 22.674 370 HD2 HIS 51 HD2 HIS 51 21.322 1.774 20.556 371 HE1 HIS 51 HE1 HIS 51 19.517 1.250 24.358 372 HE2 HIS 51 HE2 HIS 51 21.494 2.187 23.107 373 H LYS 52 HN LYS 52 18.396 -0.864 17.342 374 HA LYS 52 HA LYS 52 17.094 -2.328 16.202 375 1HB LYS 52 HB2 LYS 52 19.448 -4.186 16.576 376 2HB LYS 52 HB1 LYS 52 18.113 -4.454 15.467 377 1HG LYS 52 HG2 LYS 52 18.850 -2.104 14.542 378 2HG LYS 52 HG1 LYS 52 20.385 -2.553 15.286 379 1HD LYS 52 HD2 LYS 52 18.856 -4.110 13.202 380 2HD LYS 52 HD1 LYS 52 20.387 -3.263 12.980 381 1HE LYS 52 HE2 LYS 52 21.495 -4.791 14.491 382 2HE LYS 52 HE1 LYS 52 19.964 -5.586 14.857 383 1HZ LYS 52 HZ1 LYS 52 19.818 -6.289 12.549 384 2HZ LYS 52 HZ2 LYS 52 21.254 -6.850 13.256 385 3HZ LYS 52 HZ3 LYS 52 21.289 -5.523 12.196 386 H HIS 53 HN HIS 53 16.510 -2.191 18.940 387 HA HIS 53 HA HIS 53 16.298 -4.825 20.032 388 1HB HIS 53 HB2 HIS 53 16.374 -2.769 21.438 389 2HB HIS 53 HB1 HIS 53 14.770 -2.346 20.850 390 HD1 HIS 53 HD1 HIS 53 12.967 -2.995 22.417 391 HD2 HIS 53 HD2 HIS 53 16.255 -5.531 22.704 392 HE1 HIS 53 HE1 HIS 53 12.398 -4.646 24.221 393 HE2 HIS 53 HE2 HIS 53 14.491 -6.007 24.536 394 H ALA 54 HN ALA 54 14.390 -2.927 17.870 395 HA ALA 54 HA ALA 54 11.882 -4.162 18.301 396 1HB ALA 54 HB1 ALA 54 12.943 -2.842 15.806 397 2HB ALA 54 HB2 ALA 54 12.093 -2.036 17.125 398 3HB ALA 54 HB3 ALA 54 11.254 -3.227 16.131 399 H THR 55 HN THR 55 14.539 -4.867 16.052 400 HA THR 55 HA THR 55 13.193 -6.946 14.676 401 HB THR 55 HB THR 55 15.563 -7.580 13.964 402 HG1 THR 55 HG1 THR 55 17.169 -6.613 14.943 403 1HG2 THR 55 HG21 THR 55 14.588 -4.752 13.549 404 2HG2 THR 55 HG22 THR 55 14.189 -6.161 12.565 405 3HG2 THR 55 HG23 THR 55 15.837 -5.537 12.583 406 H ARG 56 HN ARG 56 15.560 -6.928 17.311 407 HA ARG 56 HA ARG 56 15.704 -9.736 17.614 408 1HB ARG 56 HB2 ARG 56 16.224 -7.626 19.719 409 2HB ARG 56 HB1 ARG 56 16.836 -9.276 19.709 410 1HG ARG 56 HG2 ARG 56 18.126 -8.772 17.681 411 2HG ARG 56 HG1 ARG 56 17.536 -7.111 17.735 412 1HD ARG 56 HD2 ARG 56 19.702 -7.105 18.702 413 2HD ARG 56 HD1 ARG 56 18.549 -6.930 20.025 414 HE ARG 56 HE ARG 56 19.182 -9.656 19.645 415 1HH1 ARG 56 HH11 ARG 56 20.518 -6.681 20.930 416 2HH1 ARG 56 HH12 ARG 56 21.609 -7.501 22.011 417 1HH2 ARG 56 HH21 ARG 56 20.640 -10.728 21.039 418 2HH2 ARG 56 HH22 ARG 56 21.706 -9.791 22.047 419 H HIS 57 HN HIS 57 13.454 -7.351 18.698 420 HA HIS 57 HA HIS 57 12.241 -8.749 20.819 421 1HB HIS 57 HB2 HIS 57 11.818 -6.400 20.550 422 2HB HIS 57 HB1 HIS 57 11.183 -6.641 18.928 423 HD1 HIS 57 HD1 HIS 57 10.245 -7.244 22.561 424 HD2 HIS 57 HD2 HIS 57 8.524 -7.171 18.771 425 HE1 HIS 57 HE1 HIS 57 7.736 -7.378 22.905 426 H PHE 58 HN PHE 58 11.797 -8.885 17.333 427 HA PHE 58 HA PHE 58 9.398 -10.368 17.325 428 1HB PHE 58 HB2 PHE 58 10.064 -9.320 15.285 429 2HB PHE 58 HB1 PHE 58 11.621 -10.142 15.295 430 HD1 PHE 58 HD1 PHE 58 8.049 -11.219 15.562 431 HD2 PHE 58 HD2 PHE 58 11.807 -11.708 13.649 432 HE1 PHE 58 HE1 PHE 58 7.110 -13.033 14.193 433 HE2 PHE 58 HE2 PHE 58 10.878 -13.521 12.273 434 HZ PHE 58 HZ PHE 58 8.526 -14.188 12.546 435 H HIS 59 HN HIS 59 12.796 -11.373 17.283 436 HA HIS 59 HA HIS 59 12.278 -14.132 17.016 437 1HB HIS 59 HB2 HIS 59 14.495 -12.990 16.625 438 2HB HIS 59 HB1 HIS 59 14.680 -12.894 18.374 439 HD1 HIS 59 HD1 HIS 59 15.382 -15.015 19.608 440 HD2 HIS 59 HD2 HIS 59 14.677 -15.614 15.551 441 HE1 HIS 59 HE1 HIS 59 16.254 -17.321 19.098 442 HE2 HIS 59 HE2 HIS 59 15.942 -17.606 16.612 443 H ALA 60 HN ALA 60 12.188 -11.978 19.722 444 HA ALA 60 HA ALA 60 12.294 -14.071 21.702 445 1HB ALA 60 HB1 ALA 60 11.622 -11.152 22.023 446 2HB ALA 60 HB2 ALA 60 13.231 -11.860 22.169 447 3HB ALA 60 HB3 ALA 60 11.969 -12.292 23.322 448 H THR 61 HN THR 61 9.783 -11.741 20.660 449 HA THR 61 HA THR 61 7.838 -13.183 22.286 450 HB THR 61 HB THR 61 6.295 -11.297 21.582 451 HG1 THR 61 HG1 THR 61 8.761 -10.228 20.611 452 1HG2 THR 61 HG21 THR 61 8.827 -10.532 23.040 453 2HG2 THR 61 HG22 THR 61 7.437 -11.346 23.758 454 3HG2 THR 61 HG23 THR 61 7.272 -9.700 23.141 455 H GLY 62 HN GLY 62 8.740 -12.938 18.974 456 1HA GLY 62 HA2 GLY 62 7.875 -14.011 17.123 457 2HA GLY 62 HA1 GLY 62 6.684 -14.765 18.174 458 H HIS 63 HN HIS 63 7.293 -11.325 17.647 459 HA HIS 63 HA HIS 63 4.504 -11.045 16.732 460 1HB HIS 63 HB2 HIS 63 6.327 -9.043 18.093 461 2HB HIS 63 HB1 HIS 63 4.734 -8.655 17.461 462 HD2 HIS 63 HD2 HIS 63 4.130 -11.928 19.007 463 HE1 HIS 63 HE1 HIS 63 3.768 -9.130 22.170 464 HE2 HIS 63 HE2 HIS 63 3.221 -11.495 21.408 465 HA PRO 64 HA PRO 64 6.957 -10.477 13.046 466 1HB PRO 64 HB2 PRO 64 5.081 -11.087 11.241 467 2HB PRO 64 HB1 PRO 64 5.780 -12.309 12.311 468 1HG PRO 64 HG2 PRO 64 3.155 -10.888 12.513 469 2HG PRO 64 HG1 PRO 64 3.531 -12.594 12.812 470 1HD PRO 64 HD2 PRO 64 3.271 -10.683 14.783 471 2HD PRO 64 HD1 PRO 64 4.190 -12.191 14.959 472 H ILE 65 HN ILE 65 4.329 -8.416 13.906 473 HA ILE 65 HA ILE 65 4.933 -6.744 11.557 474 HB ILE 65 HB ILE 65 2.240 -7.110 12.867 475 1HG1 ILE 65 HG12 ILE 65 3.268 -7.666 10.074 476 2HG1 ILE 65 HG11 ILE 65 2.826 -8.868 11.282 477 1HG2 ILE 65 HG21 ILE 65 2.581 -4.750 12.347 478 2HG2 ILE 65 HG22 ILE 65 1.397 -5.465 11.253 479 3HG2 ILE 65 HG23 ILE 65 3.044 -5.168 10.697 480 1HD1 ILE 65 HD11 ILE 65 0.508 -8.136 11.168 481 2HD1 ILE 65 HD12 ILE 65 1.106 -8.623 9.582 482 3HD1 ILE 65 HD13 ILE 65 0.949 -6.912 9.977 483 H ILE 66 HN ILE 66 5.695 -4.842 11.938 484 HA ILE 66 HA ILE 66 4.949 -3.443 14.418 485 HB ILE 66 HB ILE 66 7.182 -2.346 14.389 486 1HG1 ILE 66 HG12 ILE 66 7.870 -4.491 12.368 487 2HG1 ILE 66 HG11 ILE 66 7.698 -2.777 12.005 488 1HG2 ILE 66 HG21 ILE 66 7.226 -5.345 14.649 489 2HG2 ILE 66 HG22 ILE 66 6.730 -4.200 15.894 490 3HG2 ILE 66 HG23 ILE 66 8.406 -4.234 15.344 491 1HD1 ILE 66 HD11 ILE 66 9.749 -4.014 13.822 492 2HD1 ILE 66 HD12 ILE 66 9.564 -2.287 13.507 493 3HD1 ILE 66 HD13 ILE 66 10.026 -3.379 12.199 494 H GLU 67 HN GLU 67 4.558 -1.251 14.208 495 HA GLU 67 HA GLU 67 4.054 -0.390 11.448 496 1HB GLU 67 HB2 GLU 67 2.158 -0.481 13.027 497 2HB GLU 67 HB1 GLU 67 2.985 0.661 14.073 498 1HG GLU 67 HG2 GLU 67 2.945 2.262 12.113 499 2HG GLU 67 HG1 GLU 67 1.816 1.136 11.356 500 H GLY 68 HN GLY 68 4.802 1.588 10.673 501 1HA GLY 68 HA2 GLY 68 7.095 2.741 11.968 502 2HA GLY 68 HA1 GLY 68 6.313 3.336 10.507 503 H TYR 69 HN TYR 69 6.710 3.743 13.855 504 HA TYR 69 HA TYR 69 4.240 5.180 14.289 505 1HB TYR 69 HB2 TYR 69 5.383 3.671 15.986 506 2HB TYR 69 HB1 TYR 69 6.587 4.939 16.176 507 HD1 TYR 69 HD1 TYR 69 6.214 5.520 18.435 508 HD2 TYR 69 HD2 TYR 69 2.943 5.447 15.716 509 HE1 TYR 69 HE1 TYR 69 4.791 6.594 20.128 510 HE2 TYR 69 HE2 TYR 69 1.512 6.523 17.400 511 HH TYR 69 HH TYR 69 1.359 6.899 19.714 512 H ASP 70 HN ASP 70 7.677 5.911 13.994 513 HA ASP 70 HA ASP 70 7.297 8.718 14.438 514 1HB ASP 70 HB2 ASP 70 9.435 7.878 15.046 515 2HB ASP 70 HB1 ASP 70 9.674 7.143 13.466 516 HA PRO 71 HA PRO 71 8.022 8.971 9.609 517 1HB PRO 71 HB2 PRO 71 6.968 6.321 8.793 518 2HB PRO 71 HB1 PRO 71 8.333 7.238 8.145 519 1HG PRO 71 HG2 PRO 71 8.736 5.084 9.659 520 2HG PRO 71 HG1 PRO 71 9.779 6.512 9.806 521 1HD PRO 71 HD2 PRO 71 7.536 5.610 11.573 522 2HD PRO 71 HD1 PRO 71 9.110 6.303 12.012 523 HA PRO 72 HA PRO 72 3.647 9.981 9.916 524 1HB PRO 72 HB2 PRO 72 4.327 11.812 7.706 525 2HB PRO 72 HB1 PRO 72 3.646 12.172 9.295 526 1HG PRO 72 HG2 PRO 72 6.173 12.810 8.688 527 2HG PRO 72 HG1 PRO 72 5.722 12.257 10.312 528 1HD PRO 72 HD2 PRO 72 7.027 10.733 8.086 529 2HD PRO 72 HD1 PRO 72 7.399 10.725 9.824 530 H GLU 73 HN GLU 73 5.321 8.456 7.467 531 HA GLU 73 HA GLU 73 3.522 8.460 5.313 532 1HB GLU 73 HB2 GLU 73 5.315 6.201 6.214 533 2HB GLU 73 HB1 GLU 73 4.622 6.403 4.613 534 1HG GLU 73 HG2 GLU 73 5.957 8.384 4.251 535 2HG GLU 73 HG1 GLU 73 6.602 8.272 5.890 536 H GLY 74 HN GLY 74 3.759 6.413 8.187 537 1HA GLY 74 HA2 GLY 74 2.158 5.099 9.209 538 2HA GLY 74 HA1 GLY 74 0.989 5.679 8.030 539 H TRP 75 HN TRP 75 3.633 3.389 8.521 540 HA TRP 75 HA TRP 75 2.263 1.564 6.697 541 1HB TRP 75 HB2 TRP 75 4.549 0.847 5.820 542 2HB TRP 75 HB1 TRP 75 3.920 2.379 5.233 543 HD1 TRP 75 HD1 TRP 75 5.400 4.457 5.546 544 HE1 TRP 75 HE1 TRP 75 7.682 4.926 6.633 545 HE3 TRP 75 HE3 TRP 75 6.063 0.000 7.971 546 HZ2 TRP 75 HZ2 TRP 75 9.519 3.579 8.311 547 HZ3 TRP 75 HZ3 TRP 75 8.110 -0.327 9.294 548 HH2 TRP 75 HH2 TRP 75 9.801 1.425 9.460 549 H GLY 76 HN GLY 76 3.103 -0.678 6.878 550 1HA GLY 76 HA2 GLY 76 4.086 -1.215 9.611 551 2HA GLY 76 HA1 GLY 76 2.792 -2.155 8.876 552 H TRP 77 HN TRP 77 5.669 -2.660 9.828 553 HA TRP 77 HA TRP 77 6.712 -3.880 7.364 554 1HB TRP 77 HB2 TRP 77 8.296 -2.395 8.436 555 2HB TRP 77 HB1 TRP 77 8.053 -3.187 9.988 556 HD1 TRP 77 HD1 TRP 77 9.640 -5.144 10.557 557 HE1 TRP 77 HE1 TRP 77 11.469 -6.431 9.283 558 HE3 TRP 77 HE3 TRP 77 8.871 -3.228 5.881 559 HZ2 TRP 77 HZ2 TRP 77 12.454 -6.610 6.641 560 HZ3 TRP 77 HZ3 TRP 77 10.298 -4.008 4.037 561 HH2 TRP 77 HH2 TRP 77 12.053 -5.663 4.410 562 H CYS 78 HN CYS 78 6.781 -6.034 7.169 563 HA CYS 78 HA CYS 78 6.107 -7.633 9.556 564 1HB CYS 78 HB2 CYS 78 4.524 -7.533 7.469 565 2HB CYS 78 HB1 CYS 78 5.697 -8.627 6.761 566 H TYR 79 HN TYR 79 7.730 -8.826 10.282 567 HA TYR 79 HA TYR 79 10.267 -8.750 9.133 568 1HB TYR 79 HB2 TYR 79 9.131 -10.571 11.246 569 2HB TYR 79 HB1 TYR 79 10.838 -10.529 10.817 570 HD1 TYR 79 HD1 TYR 79 12.069 -8.315 11.062 571 HD2 TYR 79 HD2 TYR 79 8.253 -9.044 12.794 572 HE1 TYR 79 HE1 TYR 79 12.430 -6.459 12.628 573 HE2 TYR 79 HE2 TYR 79 8.607 -7.186 14.365 574 HH TYR 79 HH TYR 79 10.710 -6.013 15.371 575 H VAL 80 HN VAL 80 8.350 -11.745 9.547 576 HA VAL 80 HA VAL 80 10.094 -13.288 7.980 577 HB VAL 80 HB VAL 80 8.211 -14.968 7.913 578 1HG1 VAL 80 HG11 VAL 80 9.000 -13.842 10.598 579 2HG1 VAL 80 HG12 VAL 80 9.925 -14.999 9.641 580 3HG1 VAL 80 HG13 VAL 80 8.359 -15.459 10.309 581 1HG2 VAL 80 HG21 VAL 80 6.833 -12.882 9.606 582 2HG2 VAL 80 HG22 VAL 80 6.282 -14.541 9.375 583 3HG2 VAL 80 HG23 VAL 80 6.327 -13.429 8.008 584 H ASP 81 HN ASP 81 7.536 -11.198 7.041 585 HA ASP 81 HA ASP 81 7.194 -12.408 4.426 586 1HB ASP 81 HB2 ASP 81 6.161 -9.756 5.456 587 2HB ASP 81 HB1 ASP 81 5.672 -10.545 3.967 588 H GLU 82 HN GLU 82 8.853 -9.743 5.936 589 HA GLU 82 HA GLU 82 10.375 -8.228 5.252 590 1HB GLU 82 HB2 GLU 82 10.714 -10.259 3.067 591 2HB GLU 82 HB1 GLU 82 11.585 -8.732 3.023 592 1HG GLU 82 HG2 GLU 82 12.436 -9.304 5.333 593 2HG GLU 82 HG1 GLU 82 11.783 -10.921 5.066 594 H VAL 83 HN VAL 83 7.557 -8.061 4.502 595 HA VAL 83 HA VAL 83 7.822 -6.263 2.195 596 HB VAL 83 HB VAL 83 5.457 -6.562 1.736 597 1HG1 VAL 83 HG11 VAL 83 5.485 -8.889 0.984 598 2HG1 VAL 83 HG12 VAL 83 6.882 -9.202 2.014 599 3HG1 VAL 83 HG13 VAL 83 7.018 -8.080 0.660 600 1HG2 VAL 83 HG21 VAL 83 4.108 -8.236 2.920 601 2HG2 VAL 83 HG22 VAL 83 4.637 -6.944 3.998 602 3HG2 VAL 83 HG23 VAL 83 5.443 -8.511 4.040 603 H MET 84 HN MET 84 7.088 -4.209 2.345 604 HA MET 84 HA MET 84 6.120 -3.331 4.985 605 1HB MET 84 HB2 MET 84 8.241 -2.307 4.264 606 2HB MET 84 HB1 MET 84 7.472 -1.745 2.787 607 1HG MET 84 HG2 MET 84 5.991 -0.316 4.088 608 2HG MET 84 HG1 MET 84 6.731 -0.896 5.579 609 1HE MET 84 HE1 MET 84 9.809 -1.084 4.725 610 2HE MET 84 HE2 MET 84 9.248 -0.424 6.262 611 3HE MET 84 HE3 MET 84 10.380 0.494 5.269 612 H PHE 85 HN PHE 85 4.003 -3.009 5.049 613 HA PHE 85 HA PHE 85 2.640 -2.271 2.546 614 1HB PHE 85 HB2 PHE 85 0.595 -3.283 3.632 615 2HB PHE 85 HB1 PHE 85 1.868 -4.417 3.205 616 HD1 PHE 85 HD1 PHE 85 0.036 -2.834 5.934 617 HD2 PHE 85 HD2 PHE 85 3.163 -5.538 4.922 618 HE1 PHE 85 HE1 PHE 85 0.023 -3.704 8.234 619 HE2 PHE 85 HE2 PHE 85 3.159 -6.407 7.222 620 HZ PHE 85 HZ PHE 85 1.588 -5.492 8.881 621 H ASP 86 HN ASP 86 0.864 -0.801 2.668 622 HA ASP 86 HA ASP 86 1.439 1.384 4.424 623 1HB ASP 86 HB2 ASP 86 0.681 1.751 2.104 624 2HB ASP 86 HB1 ASP 86 -0.876 1.032 2.505 625 H LEU 87 HN LEU 87 0.456 2.027 6.215 626 HA LEU 87 HA LEU 87 -2.041 0.703 7.043 627 1HB LEU 87 HB2 LEU 87 0.477 1.108 8.634 628 2HB LEU 87 HB1 LEU 87 -1.079 0.974 9.427 629 HG LEU 87 HG LEU 87 0.183 -1.139 7.679 630 1HD1 LEU 87 HD11 LEU 87 -0.203 -0.993 10.666 631 2HD1 LEU 87 HD12 LEU 87 1.333 -0.888 9.807 632 3HD1 LEU 87 HD13 LEU 87 0.406 -2.388 9.776 633 1HD2 LEU 87 HD21 LEU 87 -2.259 -1.158 7.551 634 2HD2 LEU 87 HD22 LEU 87 -2.354 -1.188 9.313 635 3HD2 LEU 87 HD23 LEU 87 -1.656 -2.554 8.444 636 H SER 88 HN SER 88 -1.321 3.362 5.821 637 HA SER 88 HA SER 88 -1.154 5.369 7.769 638 1HB SER 88 HB2 SER 88 -1.836 6.911 5.933 639 2HB SER 88 HB1 SER 88 -0.542 5.805 5.471 640 HG SER 88 HG SER 88 -1.993 4.580 4.315 641 H ASP 89 HN ASP 89 -3.943 3.797 6.353 642 HA ASP 89 HA ASP 89 -5.843 5.642 7.478 643 1HB ASP 89 HB2 ASP 89 -6.291 4.387 5.388 644 2HB ASP 89 HB1 ASP 89 -6.277 2.884 6.303 645 H ARG 90 HN ARG 90 -4.090 2.974 8.638 646 HA ARG 90 HA ARG 90 -6.039 2.493 10.805 647 1HB ARG 90 HB2 ARG 90 -4.159 0.449 9.620 648 2HB ARG 90 HB1 ARG 90 -5.433 0.163 10.791 649 1HG ARG 90 HG2 ARG 90 -7.124 0.595 9.133 650 2HG ARG 90 HG1 ARG 90 -5.893 1.053 7.952 651 1HD ARG 90 HD2 ARG 90 -4.952 -1.196 8.054 652 2HD ARG 90 HD1 ARG 90 -6.165 -1.657 9.244 653 HE ARG 90 HE ARG 90 -6.995 -0.774 6.559 654 1HH1 ARG 90 HH11 ARG 90 -6.800 -3.211 9.061 655 2HH1 ARG 90 HH12 ARG 90 -7.861 -4.329 8.253 656 1HH2 ARG 90 HH21 ARG 90 -8.376 -2.254 5.461 657 2HH2 ARG 90 HH22 ARG 90 -8.754 -3.783 6.196 658 H MET 91 HN MET 91 -3.607 4.274 10.677 659 HA MET 91 HA MET 91 -1.547 2.762 12.036 660 1HB MET 91 HB2 MET 91 -0.158 4.746 11.813 661 2HB MET 91 HB1 MET 91 -0.892 4.319 10.277 662 1HG MET 91 HG2 MET 91 -2.556 6.081 10.585 663 2HG MET 91 HG1 MET 91 -1.805 6.512 12.122 664 1HE MET 91 HE1 MET 91 1.291 6.142 11.456 665 2HE MET 91 HE2 MET 91 0.635 7.514 12.349 666 3HE MET 91 HE3 MET 91 1.715 7.788 10.982 667 H THR 92 HN THR 92 -0.368 3.869 13.851 668 HA THR 92 HA THR 92 -2.319 4.113 15.986 669 HB THR 92 HB THR 92 0.699 3.973 16.139 670 HG1 THR 92 HG1 THR 92 -0.142 2.108 15.130 671 1HG2 THR 92 HG21 THR 92 -0.357 4.816 18.183 672 2HG2 THR 92 HG22 THR 92 0.304 3.201 18.433 673 3HG2 THR 92 HG23 THR 92 -1.432 3.417 18.210 674 HA PRO 93 HA PRO 93 -1.906 8.568 16.206 675 1HB PRO 93 HB2 PRO 93 -3.205 8.232 18.826 676 2HB PRO 93 HB1 PRO 93 -3.758 9.127 17.407 677 1HG PRO 93 HG2 PRO 93 -4.925 6.833 18.189 678 2HG PRO 93 HG1 PRO 93 -4.783 7.284 16.480 679 1HD PRO 93 HD2 PRO 93 -3.150 5.346 18.072 680 2HD PRO 93 HD1 PRO 93 -3.747 5.216 16.403 681 H HIS 94 HN HIS 94 -0.329 9.805 17.035 682 HA HIS 94 HA HIS 94 1.454 8.680 18.998 683 1HB HIS 94 HB2 HIS 94 2.754 10.787 18.711 684 2HB HIS 94 HB1 HIS 94 2.476 9.923 17.208 685 HD1 HIS 94 HD1 HIS 94 0.752 11.011 15.529 686 HD2 HIS 94 HD2 HIS 94 1.780 13.363 18.805 687 HE1 HIS 94 HE1 HIS 94 0.037 13.350 14.939 688 HE2 HIS 94 HE2 HIS 94 0.862 14.783 16.844 689 H ASN 95 HN ASN 95 1.551 9.110 21.116 690 HA ASN 95 HA ASN 95 -0.786 10.377 22.238 691 1HB ASN 95 HB2 ASN 95 -0.004 9.511 24.385 692 2HB ASN 95 HB1 ASN 95 0.028 8.251 23.158 693 1HD2 ASN 95 HD21 ASN 95 2.019 7.483 22.412 694 2HD2 ASN 95 HD22 ASN 95 3.487 7.767 23.275 695 H GLY 96 HN GLY 96 1.878 11.707 21.105 696 1HA GLY 96 HA2 GLY 96 1.505 14.207 22.191 697 2HA GLY 96 HA1 GLY 96 2.716 13.432 23.206 698 HA PRO 97 HA PRO 97 4.738 15.314 19.326 699 1HB PRO 97 HB2 PRO 97 6.159 16.876 21.401 700 2HB PRO 97 HB1 PRO 97 5.495 17.407 19.852 701 1HG PRO 97 HG2 PRO 97 4.317 18.065 22.160 702 2HG PRO 97 HG1 PRO 97 3.367 17.691 20.710 703 1HD PRO 97 HD2 PRO 97 3.915 15.986 23.108 704 2HD PRO 97 HD1 PRO 97 2.416 16.168 22.174 705 H ILE 98 HN ILE 98 6.021 13.650 18.829 706 HA ILE 98 HA ILE 98 7.651 12.353 20.823 707 HB ILE 98 HB ILE 98 7.343 11.861 17.860 708 1HG1 ILE 98 HG12 ILE 98 6.292 10.391 20.289 709 2HG1 ILE 98 HG11 ILE 98 5.340 11.385 19.191 710 1HG2 ILE 98 HG21 ILE 98 8.808 10.205 19.910 711 2HG2 ILE 98 HG22 ILE 98 9.554 11.154 18.625 712 3HG2 ILE 98 HG23 ILE 98 8.539 9.769 18.222 713 1HD1 ILE 98 HD11 ILE 98 6.743 8.815 18.503 714 2HD1 ILE 98 HD12 ILE 98 5.823 9.815 17.377 715 3HD1 ILE 98 HD13 ILE 98 5.009 9.037 18.735 716 HA PRO 99 HA PRO 99 11.344 14.740 19.994 717 1HB PRO 99 HB2 PRO 99 12.732 12.581 21.416 718 2HB PRO 99 HB1 PRO 99 12.583 14.287 21.846 719 1HG PRO 99 HG2 PRO 99 11.316 12.342 23.218 720 2HG PRO 99 HG1 PRO 99 10.619 13.959 23.003 721 1HD PRO 99 HD2 PRO 99 9.987 11.414 21.558 722 2HD PRO 99 HD1 PRO 99 8.887 12.683 22.139 723 H ARG 100 HN ARG 100 11.894 14.547 17.888 724 HA ARG 100 HA ARG 100 13.010 11.988 16.966 725 1HB ARG 100 HB2 ARG 100 11.104 13.036 15.694 726 2HB ARG 100 HB1 ARG 100 12.180 14.367 15.298 727 1HG ARG 100 HG2 ARG 100 13.260 11.726 14.656 728 2HG ARG 100 HG1 ARG 100 11.793 12.153 13.772 729 1HD ARG 100 HD2 ARG 100 14.246 13.886 13.972 730 2HD ARG 100 HD1 ARG 100 13.884 12.819 12.615 731 HE ARG 100 HE ARG 100 11.732 14.608 13.144 732 1HH1 ARG 100 HH11 ARG 100 14.872 14.377 11.599 733 2HH1 ARG 100 HH12 ARG 100 14.571 15.721 10.527 734 1HH2 ARG 100 HH21 ARG 100 11.331 16.343 11.715 735 2HH2 ARG 100 HH22 ARG 100 12.562 16.811 10.580 736 H TYR 101 HN TYR 101 15.135 11.847 17.092 737 HA TYR 101 HA TYR 101 16.693 14.226 17.607 738 1HB TYR 101 HB2 TYR 101 17.468 11.304 17.568 739 2HB TYR 101 HB1 TYR 101 18.535 12.616 18.050 740 HD1 TYR 101 HD1 TYR 101 18.205 13.775 20.172 741 HD2 TYR 101 HD2 TYR 101 15.673 10.560 19.012 742 HE1 TYR 101 HE1 TYR 101 17.389 13.592 22.483 743 HE2 TYR 101 HE2 TYR 101 14.848 10.371 21.319 744 HH TYR 101 HH TYR 101 15.565 10.930 23.580 745 H VAL 102 HN VAL 102 16.154 12.091 14.941 746 HA VAL 102 HA VAL 102 18.637 12.870 13.650 747 HB VAL 102 HB VAL 102 17.805 11.325 11.797 748 1HG1 VAL 102 HG11 VAL 102 19.501 10.674 13.424 749 2HG1 VAL 102 HG12 VAL 102 18.444 9.315 13.041 750 3HG1 VAL 102 HG13 VAL 102 18.240 10.191 14.559 751 1HG2 VAL 102 HG21 VAL 102 15.813 10.565 13.938 752 2HG2 VAL 102 HG22 VAL 102 16.090 9.695 12.429 753 3HG2 VAL 102 HG23 VAL 102 15.430 11.330 12.396 Start of MODEL 18 1 1H MET 1 HT1 MET 1 4.873 1.438 -3.161 2 2H MET 1 HT2 MET 1 5.470 1.249 -1.584 3 3H MET 1 HT3 MET 1 4.604 2.643 -1.999 4 HA MET 1 HA MET 1 3.266 1.138 -0.693 5 1HB MET 1 HB2 MET 1 1.331 1.009 -2.193 6 2HB MET 1 HB1 MET 1 2.133 2.569 -2.303 7 1HG MET 1 HG2 MET 1 3.216 1.872 -4.376 8 2HG MET 1 HG1 MET 1 2.425 0.301 -4.261 9 1HE MET 1 HE1 MET 1 -0.491 1.090 -3.210 10 2HE MET 1 HE2 MET 1 -0.163 -0.078 -4.490 11 3HE MET 1 HE3 MET 1 -1.339 1.210 -4.753 12 H THR 2 HN THR 2 2.306 -0.860 -0.398 13 HA THR 2 HA THR 2 2.919 -3.022 -2.248 14 HB THR 2 HB THR 2 3.737 -3.266 0.658 15 HG1 THR 2 HG1 THR 2 5.410 -2.121 0.011 16 1HG2 THR 2 HG21 THR 2 4.277 -5.018 -1.744 17 2HG2 THR 2 HG22 THR 2 3.149 -5.374 -0.435 18 3HG2 THR 2 HG23 THR 2 4.880 -5.296 -0.110 19 H MET 3 HN MET 3 1.454 -4.714 -2.091 20 HA MET 3 HA MET 3 -1.024 -4.262 -0.818 21 1HB MET 3 HB2 MET 3 -0.831 -5.650 -2.818 22 2HB MET 3 HB1 MET 3 0.163 -6.807 -1.946 23 1HG MET 3 HG2 MET 3 -1.730 -7.326 -0.488 24 2HG MET 3 HG1 MET 3 -2.725 -6.176 -1.379 25 1HE MET 3 HE1 MET 3 -3.445 -6.484 -3.907 26 2HE MET 3 HE2 MET 3 -2.927 -7.832 -4.918 27 3HE MET 3 HE3 MET 3 -1.750 -6.637 -4.373 28 H GLY 4 HN GLY 4 -1.694 -4.689 1.191 29 1HA GLY 4 HA2 GLY 4 0.011 -5.619 3.224 30 2HA GLY 4 HA1 GLY 4 -1.741 -5.508 3.338 31 H CYS 5 HN CYS 5 0.691 -7.586 3.710 32 HA CYS 5 HA CYS 5 -0.173 -9.845 2.206 33 1HB CYS 5 HB2 CYS 5 1.473 -11.094 3.468 34 2HB CYS 5 HB1 CYS 5 2.158 -9.542 3.001 35 H ARG 6 HN ARG 6 -0.732 -11.978 3.414 36 HA ARG 6 HA ARG 6 -3.243 -11.646 4.587 37 1HB ARG 6 HB2 ARG 6 -3.127 -14.050 5.153 38 2HB ARG 6 HB1 ARG 6 -2.659 -13.715 3.493 39 1HG ARG 6 HG2 ARG 6 -0.291 -13.870 4.165 40 2HG ARG 6 HG1 ARG 6 -0.812 -14.302 5.795 41 1HD ARG 6 HD2 ARG 6 -1.553 -15.841 3.313 42 2HD ARG 6 HD1 ARG 6 -0.193 -16.245 4.358 43 HE ARG 6 HE ARG 6 -2.020 -16.393 6.160 44 1HH1 ARG 6 HH11 ARG 6 -2.577 -17.130 2.782 45 2HH1 ARG 6 HH12 ARG 6 -3.705 -18.409 3.120 46 1HH2 ARG 6 HH21 ARG 6 -3.494 -18.078 6.609 47 2HH2 ARG 6 HH22 ARG 6 -4.233 -18.944 5.296 48 H HIS 7 HN HIS 7 -0.101 -11.705 6.070 49 HA HIS 7 HA HIS 7 -0.852 -12.185 8.737 50 1HB HIS 7 HB2 HIS 7 1.414 -10.499 7.664 51 2HB HIS 7 HB1 HIS 7 1.232 -10.969 9.347 52 HD2 HIS 7 HD2 HIS 7 0.671 -14.127 9.009 53 HE1 HIS 7 HE1 HIS 7 4.283 -14.077 6.808 54 HE2 HIS 7 HE2 HIS 7 2.546 -15.555 7.924 55 H VAL 8 HN VAL 8 -1.245 -9.398 6.719 56 HA VAL 8 HA VAL 8 -1.356 -7.429 8.752 57 HB VAL 8 HB VAL 8 -1.246 -7.266 6.062 58 1HG1 VAL 8 HG11 VAL 8 -3.270 -6.263 5.184 59 2HG1 VAL 8 HG12 VAL 8 -4.084 -6.517 6.728 60 3HG1 VAL 8 HG13 VAL 8 -3.591 -7.903 5.752 61 1HG2 VAL 8 HG21 VAL 8 -2.319 -5.132 7.896 62 2HG2 VAL 8 HG22 VAL 8 -1.572 -4.867 6.319 63 3HG2 VAL 8 HG23 VAL 8 -0.619 -5.531 7.646 64 H ALA 9 HN ALA 9 -3.661 -9.718 7.514 65 HA ALA 9 HA ALA 9 -5.942 -8.471 8.733 66 1HB ALA 9 HB1 ALA 9 -7.123 -10.515 8.149 67 2HB ALA 9 HB2 ALA 9 -5.596 -11.299 7.747 68 3HB ALA 9 HB3 ALA 9 -6.168 -9.937 6.783 69 H GLY 10 HN GLY 10 -3.299 -9.965 10.022 70 1HA GLY 10 HA2 GLY 10 -4.795 -11.186 12.243 71 2HA GLY 10 HA1 GLY 10 -3.128 -11.544 11.826 72 H ILE 11 HN ILE 11 -3.290 -8.308 11.513 73 HA ILE 11 HA ILE 11 -2.175 -7.897 14.170 74 HB ILE 11 HB ILE 11 -1.632 -5.610 13.398 75 1HG1 ILE 11 HG12 ILE 11 -2.820 -6.560 10.782 76 2HG1 ILE 11 HG11 ILE 11 -3.466 -5.292 11.815 77 1HG2 ILE 11 HG21 ILE 11 -0.022 -7.413 13.139 78 2HG2 ILE 11 HG22 ILE 11 0.108 -6.258 11.813 79 3HG2 ILE 11 HG23 ILE 11 -0.698 -7.806 11.558 80 1HD1 ILE 11 HD11 ILE 11 -1.579 -3.884 11.343 81 2HD1 ILE 11 HD12 ILE 11 -2.281 -4.453 9.824 82 3HD1 ILE 11 HD13 ILE 11 -0.795 -5.180 10.438 83 H ARG 12 HN ARG 12 -2.910 -6.288 15.605 84 HA ARG 12 HA ARG 12 -5.730 -5.553 15.199 85 1HB ARG 12 HB2 ARG 12 -5.977 -5.644 17.666 86 2HB ARG 12 HB1 ARG 12 -5.574 -7.202 16.961 87 1HG ARG 12 HG2 ARG 12 -3.272 -6.964 17.667 88 2HG ARG 12 HG1 ARG 12 -3.610 -5.350 18.295 89 1HD ARG 12 HD2 ARG 12 -5.171 -6.293 19.911 90 2HD ARG 12 HD1 ARG 12 -4.877 -7.908 19.268 91 HE ARG 12 HE ARG 12 -2.464 -7.442 19.981 92 1HH1 ARG 12 HH11 ARG 12 -5.285 -6.203 21.655 93 2HH1 ARG 12 HH12 ARG 12 -4.492 -6.122 23.198 94 1HH2 ARG 12 HH21 ARG 12 -1.428 -7.352 22.013 95 2HH2 ARG 12 HH22 ARG 12 -2.298 -6.778 23.403 96 H THR 13 HN THR 13 -6.387 -3.612 16.503 97 HA THR 13 HA THR 13 -4.478 -1.499 16.103 98 HB THR 13 HB THR 13 -7.238 -1.366 17.339 99 HG1 THR 13 HG1 THR 13 -7.977 -1.087 15.302 100 1HG2 THR 13 HG21 THR 13 -5.836 0.580 17.868 101 2HG2 THR 13 HG22 THR 13 -7.127 1.015 16.748 102 3HG2 THR 13 HG23 THR 13 -5.481 0.793 16.154 103 H VAL 14 HN VAL 14 -2.851 -1.544 17.488 104 HA VAL 14 HA VAL 14 -3.320 -2.142 20.306 105 HB VAL 14 HB VAL 14 -0.847 -2.305 20.441 106 1HG1 VAL 14 HG11 VAL 14 -0.619 -4.349 19.138 107 2HG1 VAL 14 HG12 VAL 14 -2.070 -3.937 18.226 108 3HG1 VAL 14 HG13 VAL 14 -2.183 -4.287 19.951 109 1HG2 VAL 14 HG21 VAL 14 -0.278 -0.705 18.684 110 2HG2 VAL 14 HG22 VAL 14 -0.953 -1.793 17.470 111 3HG2 VAL 14 HG23 VAL 14 0.478 -2.269 18.384 112 H THR 15 HN THR 15 -2.026 -0.841 21.899 113 HA THR 15 HA THR 15 -2.041 2.004 21.126 114 HB THR 15 HB THR 15 -2.424 0.844 23.897 115 HG1 THR 15 HG1 THR 15 -4.167 0.471 22.299 116 1HG2 THR 15 HG21 THR 15 -1.492 3.114 23.890 117 2HG2 THR 15 HG22 THR 15 -3.152 3.108 24.488 118 3HG2 THR 15 HG23 THR 15 -2.807 3.653 22.846 119 HA PRO 16 HA PRO 16 2.371 1.906 21.534 120 1HB PRO 16 HB2 PRO 16 2.020 4.759 22.289 121 2HB PRO 16 HB1 PRO 16 3.023 4.043 21.023 122 1HG PRO 16 HG2 PRO 16 0.762 5.322 20.422 123 2HG PRO 16 HG1 PRO 16 1.255 3.864 19.539 124 1HD PRO 16 HD2 PRO 16 -0.829 4.192 21.651 125 2HD PRO 16 HD1 PRO 16 -0.835 3.157 20.209 126 H SER 17 HN SER 17 3.595 1.287 23.180 127 HA SER 17 HA SER 17 2.858 1.405 25.878 128 1HB SER 17 HB2 SER 17 5.733 1.235 25.032 129 2HB SER 17 HB1 SER 17 4.894 0.351 26.308 130 HG SER 17 HG SER 17 3.790 -0.819 24.678 131 H ALA 18 HN ALA 18 4.940 3.456 23.926 132 HA ALA 18 HA ALA 18 4.723 5.630 25.807 133 1HB ALA 18 HB1 ALA 18 7.144 5.938 26.059 134 2HB ALA 18 HB2 ALA 18 7.429 4.440 25.173 135 3HB ALA 18 HB3 ALA 18 6.620 4.398 26.740 136 H LEU 19 HN LEU 19 6.357 7.451 24.848 137 HA LEU 19 HA LEU 19 5.371 7.882 22.172 138 1HB LEU 19 HB2 LEU 19 7.187 9.540 23.928 139 2HB LEU 19 HB1 LEU 19 6.651 10.035 22.337 140 HG LEU 19 HG LEU 19 4.271 9.871 23.242 141 1HD1 LEU 19 HD11 LEU 19 4.742 8.547 25.230 142 2HD1 LEU 19 HD12 LEU 19 4.017 10.096 25.662 143 3HD1 LEU 19 HD13 LEU 19 5.751 9.844 25.868 144 1HD2 LEU 19 HD21 LEU 19 6.151 11.915 24.414 145 2HD2 LEU 19 HD22 LEU 19 4.401 12.084 24.267 146 3HD2 LEU 19 HD23 LEU 19 5.403 11.983 22.819 147 H GLY 20 HN GLY 20 8.527 7.506 23.716 148 1HA GLY 20 HA2 GLY 20 9.686 6.957 21.060 149 2HA GLY 20 HA1 GLY 20 10.594 7.589 22.428 150 H CYS 21 HN CYS 21 12.018 5.734 21.857 151 HA CYS 21 HA CYS 21 11.051 3.102 22.506 152 1HB CYS 21 HB2 CYS 21 12.861 3.499 20.825 153 2HB CYS 21 HB1 CYS 21 13.909 4.026 22.136 154 HG CYS 21 HG CYS 21 13.936 1.543 23.419 155 H GLU 22 HN GLU 22 10.497 2.779 24.541 156 HA GLU 22 HA GLU 22 11.237 4.159 26.786 157 1HB GLU 22 HB2 GLU 22 9.335 2.579 26.559 158 2HB GLU 22 HB1 GLU 22 10.465 1.239 26.642 159 1HG GLU 22 HG2 GLU 22 10.375 3.224 28.862 160 2HG GLU 22 HG1 GLU 22 9.129 1.984 28.743 161 H GLU 23 HN GLU 23 12.752 1.222 25.499 162 HA GLU 23 HA GLU 23 14.554 0.656 27.498 163 1HB GLU 23 HB2 GLU 23 14.216 -0.786 25.556 164 2HB GLU 23 HB1 GLU 23 14.979 0.409 24.516 165 1HG GLU 23 HG2 GLU 23 17.083 0.117 25.718 166 2HG GLU 23 HG1 GLU 23 16.318 -1.077 26.764 167 H CYS 24 HN CYS 24 15.218 2.759 24.658 168 HA CYS 24 HA CYS 24 17.840 3.351 25.597 169 1HB CYS 24 HB2 CYS 24 17.944 4.951 23.734 170 2HB CYS 24 HB1 CYS 24 17.368 3.374 23.215 171 HG CYS 24 HG CYS 24 15.973 6.319 22.867 172 H LEU 25 HN LEU 25 14.722 4.805 26.014 173 HA LEU 25 HA LEU 25 15.445 7.387 26.788 174 1HB LEU 25 HB2 LEU 25 13.119 5.623 27.474 175 2HB LEU 25 HB1 LEU 25 13.279 7.220 28.180 176 HG LEU 25 HG LEU 25 13.203 6.710 25.206 177 1HD1 LEU 25 HD11 LEU 25 10.902 7.530 25.298 178 2HD1 LEU 25 HD12 LEU 25 10.993 7.595 27.058 179 3HD1 LEU 25 HD13 LEU 25 11.088 6.043 26.226 180 1HD2 LEU 25 HD21 LEU 25 12.938 9.222 26.854 181 2HD2 LEU 25 HD22 LEU 25 12.770 9.120 25.101 182 3HD2 LEU 25 HD23 LEU 25 14.324 8.772 25.860 183 H LYS 26 HN LYS 26 15.703 4.378 28.550 184 HA LYS 26 HA LYS 26 15.656 5.522 31.155 185 1HB LYS 26 HB2 LYS 26 16.259 3.390 31.976 186 2HB LYS 26 HB1 LYS 26 15.255 3.083 30.567 187 1HG LYS 26 HG2 LYS 26 17.300 2.712 29.235 188 2HG LYS 26 HG1 LYS 26 18.256 2.925 30.702 189 1HD LYS 26 HD2 LYS 26 16.175 0.797 30.221 190 2HD LYS 26 HD1 LYS 26 17.923 0.562 30.221 191 1HE LYS 26 HE2 LYS 26 17.986 1.277 32.582 192 2HE LYS 26 HE1 LYS 26 16.230 1.422 32.564 193 1HZ LYS 26 HZ1 LYS 26 16.651 -0.668 33.468 194 2HZ LYS 26 HZ2 LYS 26 17.873 -1.025 32.346 195 3HZ LYS 26 HZ3 LYS 26 16.251 -1.002 31.852 196 H ILE 27 HN ILE 27 18.110 5.247 28.744 197 HA ILE 27 HA ILE 27 20.109 6.192 30.696 198 HB ILE 27 HB ILE 27 21.835 5.296 29.103 199 1HG1 ILE 27 HG12 ILE 27 19.434 3.886 27.913 200 2HG1 ILE 27 HG11 ILE 27 20.396 5.129 27.120 201 1HG2 ILE 27 HG21 ILE 27 21.649 3.002 29.899 202 2HG2 ILE 27 HG22 ILE 27 19.965 3.283 30.334 203 3HG2 ILE 27 HG23 ILE 27 21.248 4.152 31.174 204 1HD1 ILE 27 HD11 ILE 27 22.335 3.659 27.155 205 2HD1 ILE 27 HD12 ILE 27 20.972 2.911 26.322 206 3HD1 ILE 27 HD13 ILE 27 21.382 2.414 27.964 207 H GLY 28 HN GLY 28 18.146 7.274 28.375 208 1HA GLY 28 HA2 GLY 28 18.107 9.205 27.127 209 2HA GLY 28 HA1 GLY 28 19.610 9.661 27.915 210 H SER 29 HN SER 29 18.827 6.913 25.819 211 HA SER 29 HA SER 29 21.109 7.608 24.127 212 1HB SER 29 HB2 SER 29 21.009 5.300 24.929 213 2HB SER 29 HB1 SER 29 19.396 5.109 24.250 214 HG SER 29 HG SER 29 21.818 5.539 22.813 215 HA PRO 30 HA PRO 30 18.243 9.483 21.290 216 1HB PRO 30 HB2 PRO 30 20.485 9.569 19.410 217 2HB PRO 30 HB1 PRO 30 19.622 10.901 20.180 218 1HG PRO 30 HG2 PRO 30 22.163 10.255 20.826 219 2HG PRO 30 HG1 PRO 30 21.021 10.930 22.002 220 1HD PRO 30 HD2 PRO 30 21.888 8.090 21.614 221 2HD PRO 30 HD1 PRO 30 21.610 8.990 23.121 222 H TRP 31 HN TRP 31 16.855 8.529 19.967 223 HA TRP 31 HA TRP 31 17.659 6.117 18.541 224 1HB TRP 31 HB2 TRP 31 15.225 5.844 18.104 225 2HB TRP 31 HB1 TRP 31 15.611 5.921 19.817 226 HD1 TRP 31 HD1 TRP 31 14.153 8.176 17.025 227 HE1 TRP 31 HE1 TRP 31 12.561 9.874 18.127 228 HE3 TRP 31 HE3 TRP 31 14.957 6.981 21.927 229 HZ2 TRP 31 HZ2 TRP 31 11.746 10.600 20.725 230 HZ3 TRP 31 HZ3 TRP 31 13.731 8.221 23.658 231 HH2 TRP 31 HH2 TRP 31 12.158 9.994 23.070 232 H VAL 32 HN VAL 32 16.981 5.841 16.294 233 HA VAL 32 HA VAL 32 17.138 8.376 14.816 234 HB VAL 32 HB VAL 32 17.563 5.582 13.740 235 1HG1 VAL 32 HG11 VAL 32 16.897 7.218 12.060 236 2HG1 VAL 32 HG12 VAL 32 18.580 6.738 11.838 237 3HG1 VAL 32 HG13 VAL 32 18.197 8.294 12.576 238 1HG2 VAL 32 HG21 VAL 32 19.275 6.065 15.389 239 2HG2 VAL 32 HG22 VAL 32 19.602 7.623 14.632 240 3HG2 VAL 32 HG23 VAL 32 19.969 6.129 13.769 241 H HIS 33 HN HIS 33 15.494 5.222 14.750 242 HA HIS 33 HA HIS 33 13.081 6.580 13.822 243 1HB HIS 33 HB2 HIS 33 14.348 4.189 12.486 244 2HB HIS 33 HB1 HIS 33 12.656 4.616 12.263 245 HD1 HIS 33 HD1 HIS 33 12.415 7.333 11.455 246 HD2 HIS 33 HD2 HIS 33 15.904 5.232 10.556 247 HE1 HIS 33 HE1 HIS 33 13.503 8.580 9.558 248 HE2 HIS 33 HE2 HIS 33 15.534 7.220 8.943 249 H LEU 34 HN LEU 34 11.137 5.459 14.274 250 HA LEU 34 HA LEU 34 11.412 3.444 16.415 251 1HB LEU 34 HB2 LEU 34 9.480 5.767 16.353 252 2HB LEU 34 HB1 LEU 34 9.542 4.521 17.584 253 HG LEU 34 HG LEU 34 11.716 6.539 17.029 254 1HD1 LEU 34 HD11 LEU 34 9.730 6.334 19.287 255 2HD1 LEU 34 HD12 LEU 34 9.741 7.558 18.016 256 3HD1 LEU 34 HD13 LEU 34 11.060 7.488 19.185 257 1HD2 LEU 34 HD21 LEU 34 12.723 5.679 19.080 258 2HD2 LEU 34 HD22 LEU 34 12.598 4.423 17.848 259 3HD2 LEU 34 HD23 LEU 34 11.457 4.455 19.192 260 H ARG 35 HN ARG 35 10.072 1.739 16.267 261 HA ARG 35 HA ARG 35 7.773 1.970 14.449 262 1HB ARG 35 HB2 ARG 35 9.805 -0.233 14.610 263 2HB ARG 35 HB1 ARG 35 8.167 -0.576 14.077 264 1HG ARG 35 HG2 ARG 35 9.294 -0.239 12.091 265 2HG ARG 35 HG1 ARG 35 8.559 1.335 12.386 266 1HD ARG 35 HD2 ARG 35 11.098 1.279 13.663 267 2HD ARG 35 HD1 ARG 35 11.298 0.696 12.012 268 HE ARG 35 HE ARG 35 10.204 3.327 12.776 269 1HH1 ARG 35 HH11 ARG 35 11.633 1.187 10.388 270 2HH1 ARG 35 HH12 ARG 35 11.957 2.471 9.264 271 1HH2 ARG 35 HH21 ARG 35 10.638 5.007 11.308 272 2HH2 ARG 35 HH22 ARG 35 11.375 4.639 9.764 273 H ILE 36 HN ILE 36 5.898 1.086 15.119 274 HA ILE 36 HA ILE 36 5.861 0.051 17.877 275 HB ILE 36 HB ILE 36 4.476 2.014 17.619 276 1HG1 ILE 36 HG12 ILE 36 2.768 -0.480 17.749 277 2HG1 ILE 36 HG11 ILE 36 3.674 0.207 19.093 278 1HG2 ILE 36 HG21 ILE 36 3.051 0.532 15.415 279 2HG2 ILE 36 HG22 ILE 36 4.095 1.940 15.222 280 3HG2 ILE 36 HG23 ILE 36 2.565 2.088 16.088 281 1HD1 ILE 36 HD11 ILE 36 2.299 2.209 19.001 282 2HD1 ILE 36 HD12 ILE 36 1.314 0.763 19.219 283 3HD1 ILE 36 HD13 ILE 36 1.405 1.538 17.637 284 H CYS 37 HN CYS 37 5.455 -1.949 18.224 285 HA CYS 37 HA CYS 37 5.089 -3.791 16.072 286 1HB CYS 37 HB2 CYS 37 6.467 -4.212 18.082 287 2HB CYS 37 HB1 CYS 37 5.009 -4.187 19.063 288 H ARG 38 HN ARG 38 3.158 -4.094 15.132 289 HA ARG 38 HA ARG 38 0.752 -3.096 16.260 290 1HB ARG 38 HB2 ARG 38 1.343 -4.700 13.786 291 2HB ARG 38 HB1 ARG 38 -0.293 -4.234 14.227 292 1HG ARG 38 HG2 ARG 38 1.988 -2.334 13.718 293 2HG ARG 38 HG1 ARG 38 0.694 -2.721 12.582 294 1HD ARG 38 HD2 ARG 38 0.425 -1.356 15.257 295 2HD ARG 38 HD1 ARG 38 0.187 -0.634 13.667 296 HE ARG 38 HE ARG 38 -1.565 -2.757 14.742 297 1HH1 ARG 38 HH11 ARG 38 -1.085 0.224 12.956 298 2HH1 ARG 38 HH12 ARG 38 -2.789 0.513 12.754 299 1HH2 ARG 38 HH21 ARG 38 -3.796 -2.384 14.452 300 2HH2 ARG 38 HH22 ARG 38 -4.325 -0.975 13.587 301 H THR 39 HN THR 39 2.271 -5.859 17.117 302 HA THR 39 HA THR 39 -0.156 -7.472 17.273 303 HB THR 39 HB THR 39 2.565 -8.287 18.279 304 HG1 THR 39 HG1 THR 39 1.545 -8.745 15.646 305 1HG2 THR 39 HG21 THR 39 0.676 -9.699 18.932 306 2HG2 THR 39 HG22 THR 39 1.731 -10.546 17.799 307 3HG2 THR 39 HG23 THR 39 0.204 -9.862 17.240 308 H CYS 40 HN CYS 40 2.390 -6.303 19.471 309 HA CYS 40 HA CYS 40 0.565 -6.832 21.707 310 1HB CYS 40 HB2 CYS 40 2.585 -6.908 23.121 311 2HB CYS 40 HB1 CYS 40 2.672 -8.060 21.796 312 H GLY 41 HN GLY 41 2.059 -4.322 19.932 313 1HA GLY 41 HA2 GLY 41 1.409 -2.078 20.091 314 2HA GLY 41 HA1 GLY 41 0.838 -2.380 21.722 315 H HIS 42 HN HIS 42 4.007 -3.547 21.087 316 HA HIS 42 HA HIS 42 4.985 -1.502 22.916 317 1HB HIS 42 HB2 HIS 42 5.424 -4.074 23.112 318 2HB HIS 42 HB1 HIS 42 6.692 -3.761 21.929 319 HD1 HIS 42 HD1 HIS 42 8.890 -3.080 22.889 320 HD2 HIS 42 HD2 HIS 42 5.745 -2.385 25.519 321 HE1 HIS 42 HE1 HIS 42 9.946 -2.198 24.993 322 HE2 HIS 42 HE2 HIS 42 8.038 -1.857 26.601 323 H VAL 43 HN VAL 43 6.349 0.063 22.398 324 HA VAL 43 HA VAL 43 7.032 0.404 19.586 325 HB VAL 43 HB VAL 43 7.421 2.330 21.888 326 1HG1 VAL 43 HG11 VAL 43 7.613 4.035 20.151 327 2HG1 VAL 43 HG12 VAL 43 7.451 2.795 18.908 328 3HG1 VAL 43 HG13 VAL 43 8.858 2.799 19.971 329 1HG2 VAL 43 HG21 VAL 43 5.060 1.798 21.601 330 2HG2 VAL 43 HG22 VAL 43 5.174 2.176 19.881 331 3HG2 VAL 43 HG23 VAL 43 5.400 3.448 21.081 332 H GLY 44 HN GLY 44 9.094 0.466 18.791 333 1HA GLY 44 HA2 GLY 44 11.345 0.465 20.648 334 2HA GLY 44 HA1 GLY 44 11.152 -0.969 19.650 335 H CYS 45 HN CYS 45 13.320 1.017 19.701 336 HA CYS 45 HA CYS 45 13.143 2.521 17.284 337 1HB CYS 45 HB2 CYS 45 15.632 2.782 17.615 338 2HB CYS 45 HB1 CYS 45 14.637 3.327 18.960 339 HG CYS 45 HG CYS 45 15.676 1.827 20.764 340 H CYS 46 HN CYS 46 14.248 2.129 15.323 341 HA CYS 46 HA CYS 46 14.006 -0.598 14.507 342 1HB CYS 46 HB2 CYS 46 13.495 1.520 13.144 343 2HB CYS 46 HB1 CYS 46 15.230 1.610 12.862 344 HG CYS 46 HG CYS 46 15.229 0.046 10.832 345 H ASP 47 HN ASP 47 15.858 -1.411 12.928 346 HA ASP 47 HA ASP 47 18.039 -2.043 14.649 347 1HB ASP 47 HB2 ASP 47 18.824 -3.453 12.868 348 2HB ASP 47 HB1 ASP 47 17.070 -3.592 12.930 349 H ASP 48 HN ASP 48 17.494 0.377 12.272 350 HA ASP 48 HA ASP 48 20.172 1.049 11.670 351 1HB ASP 48 HB2 ASP 48 18.256 1.853 10.344 352 2HB ASP 48 HB1 ASP 48 17.714 2.818 11.712 353 H SER 49 HN SER 49 18.149 1.604 14.405 354 HA SER 49 HA SER 49 19.919 3.594 15.562 355 1HB SER 49 HB2 SER 49 17.528 2.175 16.773 356 2HB SER 49 HB1 SER 49 18.347 3.592 17.434 357 HG SER 49 HG SER 49 17.622 3.993 14.859 358 HA PRO 50 HA PRO 50 22.748 0.855 17.340 359 1HB PRO 50 HB2 PRO 50 23.338 2.015 19.734 360 2HB PRO 50 HB1 PRO 50 23.877 2.654 18.177 361 1HG PRO 50 HG2 PRO 50 21.533 3.482 19.852 362 2HG PRO 50 HG1 PRO 50 22.731 4.499 19.028 363 1HD PRO 50 HD2 PRO 50 20.302 4.077 17.978 364 2HD PRO 50 HD1 PRO 50 21.747 4.193 16.951 365 H HIS 51 HN HIS 51 19.703 0.874 18.604 366 HA HIS 51 HA HIS 51 20.419 -1.063 20.692 367 1HB HIS 51 HB2 HIS 51 18.098 0.812 20.438 368 2HB HIS 51 HB1 HIS 51 17.955 -0.646 21.416 369 HD1 HIS 51 HD1 HIS 51 18.505 -0.299 23.780 370 HD2 HIS 51 HD2 HIS 51 20.567 2.348 21.320 371 HE1 HIS 51 HE1 HIS 51 19.832 1.182 25.329 372 HE2 HIS 51 HE2 HIS 51 21.248 2.608 23.803 373 H LYS 52 HN LYS 52 18.676 -0.619 17.723 374 HA LYS 52 HA LYS 52 17.367 -1.989 16.437 375 1HB LYS 52 HB2 LYS 52 19.073 -4.168 17.655 376 2HB LYS 52 HB1 LYS 52 18.226 -4.229 16.120 377 1HG LYS 52 HG2 LYS 52 19.680 -2.492 15.229 378 2HG LYS 52 HG1 LYS 52 20.520 -2.394 16.779 379 1HD LYS 52 HD2 LYS 52 20.375 -4.831 15.002 380 2HD LYS 52 HD1 LYS 52 21.765 -3.755 15.162 381 1HE LYS 52 HE2 LYS 52 21.973 -4.335 17.512 382 2HE LYS 52 HE1 LYS 52 20.537 -5.351 17.408 383 1HZ LYS 52 HZ1 LYS 52 22.572 -6.650 17.302 384 2HZ LYS 52 HZ2 LYS 52 23.071 -5.798 15.921 385 3HZ LYS 52 HZ3 LYS 52 21.696 -6.784 15.857 386 H HIS 53 HN HIS 53 16.061 -1.356 18.763 387 HA HIS 53 HA HIS 53 15.427 -3.605 20.381 388 1HB HIS 53 HB2 HIS 53 15.359 -1.152 21.063 389 2HB HIS 53 HB1 HIS 53 13.822 -1.056 20.211 390 HD1 HIS 53 HD1 HIS 53 12.220 -0.804 22.127 391 HD2 HIS 53 HD2 HIS 53 14.871 -3.955 22.678 392 HE1 HIS 53 HE1 HIS 53 11.448 -1.979 24.207 393 HE2 HIS 53 HE2 HIS 53 12.976 -3.969 24.436 394 H ALA 54 HN ALA 54 14.136 -2.370 17.438 395 HA ALA 54 HA ALA 54 11.570 -3.624 17.649 396 1HB ALA 54 HB1 ALA 54 13.001 -2.659 15.176 397 2HB ALA 54 HB2 ALA 54 11.989 -1.658 16.216 398 3HB ALA 54 HB3 ALA 54 11.279 -3.008 15.331 399 H THR 55 HN THR 55 14.615 -4.438 16.005 400 HA THR 55 HA THR 55 13.594 -6.806 14.795 401 HB THR 55 HB THR 55 16.062 -7.283 14.389 402 HG1 THR 55 HG1 THR 55 17.514 -5.952 15.213 403 1HG2 THR 55 HG21 THR 55 16.285 -5.495 12.728 404 2HG2 THR 55 HG22 THR 55 14.970 -4.611 13.501 405 3HG2 THR 55 HG23 THR 55 14.653 -6.165 12.729 406 H ARG 56 HN ARG 56 15.694 -6.174 17.583 407 HA ARG 56 HA ARG 56 16.145 -8.763 18.464 408 1HB ARG 56 HB2 ARG 56 15.810 -6.160 19.933 409 2HB ARG 56 HB1 ARG 56 16.142 -7.655 20.794 410 1HG ARG 56 HG2 ARG 56 18.252 -7.895 19.750 411 2HG ARG 56 HG1 ARG 56 17.895 -6.616 18.586 412 1HD ARG 56 HD2 ARG 56 19.410 -6.049 20.583 413 2HD ARG 56 HD1 ARG 56 18.103 -4.934 20.187 414 HE ARG 56 HE ARG 56 17.629 -6.982 22.233 415 1HH1 ARG 56 HH11 ARG 56 18.237 -3.622 21.434 416 2HH1 ARG 56 HH12 ARG 56 17.586 -3.012 22.932 417 1HH2 ARG 56 HH21 ARG 56 16.751 -6.177 24.198 418 2HH2 ARG 56 HH22 ARG 56 16.743 -4.455 24.494 419 H HIS 57 HN HIS 57 13.361 -6.680 18.958 420 HA HIS 57 HA HIS 57 12.032 -8.268 20.856 421 1HB HIS 57 HB2 HIS 57 11.408 -5.958 20.549 422 2HB HIS 57 HB1 HIS 57 10.973 -6.254 18.869 423 HD1 HIS 57 HD1 HIS 57 9.792 -7.117 22.378 424 HD2 HIS 57 HD2 HIS 57 8.439 -7.079 18.443 425 HE1 HIS 57 HE1 HIS 57 7.317 -7.643 22.463 426 H PHE 58 HN PHE 58 11.848 -8.179 17.312 427 HA PHE 58 HA PHE 58 9.743 -10.006 17.008 428 1HB PHE 58 HB2 PHE 58 10.394 -8.754 15.097 429 2HB PHE 58 HB1 PHE 58 12.061 -9.307 15.212 430 HD1 PHE 58 HD1 PHE 58 8.696 -10.937 15.024 431 HD2 PHE 58 HD2 PHE 58 12.670 -10.732 13.558 432 HE1 PHE 58 HE1 PHE 58 8.208 -12.774 13.463 433 HE2 PHE 58 HE2 PHE 58 12.197 -12.561 11.986 434 HZ PHE 58 HZ PHE 58 9.961 -13.590 11.940 435 H HIS 59 HN HIS 59 13.226 -10.494 17.306 436 HA HIS 59 HA HIS 59 13.214 -13.270 16.806 437 1HB HIS 59 HB2 HIS 59 15.231 -11.797 16.739 438 2HB HIS 59 HB1 HIS 59 15.178 -11.706 18.496 439 HD1 HIS 59 HD1 HIS 59 15.853 -14.123 15.689 440 HD2 HIS 59 HD2 HIS 59 16.261 -13.881 19.823 441 HE1 HIS 59 HE1 HIS 59 17.243 -16.113 16.354 442 HE2 HIS 59 HE2 HIS 59 17.549 -15.903 18.848 443 H ALA 60 HN ALA 60 12.455 -11.402 19.631 444 HA ALA 60 HA ALA 60 12.723 -13.663 21.428 445 1HB ALA 60 HB1 ALA 60 11.708 -10.881 21.985 446 2HB ALA 60 HB2 ALA 60 13.381 -11.413 22.153 447 3HB ALA 60 HB3 ALA 60 12.128 -12.104 23.184 448 H THR 61 HN THR 61 10.084 -11.694 20.081 449 HA THR 61 HA THR 61 8.154 -13.342 21.545 450 HB THR 61 HB THR 61 6.486 -11.633 20.640 451 HG1 THR 61 HG1 THR 61 8.923 -10.248 20.077 452 1HG2 THR 61 HG21 THR 61 8.670 -10.623 22.466 453 2HG2 THR 61 HG22 THR 61 7.319 -11.642 22.961 454 3HG2 THR 61 HG23 THR 61 7.018 -10.008 22.368 455 H GLY 62 HN GLY 62 9.210 -12.664 18.283 456 1HA GLY 62 HA2 GLY 62 8.693 -13.837 16.343 457 2HA GLY 62 HA1 GLY 62 7.499 -14.758 17.250 458 H HIS 63 HN HIS 63 7.712 -11.254 17.081 459 HA HIS 63 HA HIS 63 5.029 -11.218 15.869 460 1HB HIS 63 HB2 HIS 63 6.485 -9.118 17.496 461 2HB HIS 63 HB1 HIS 63 4.940 -8.845 16.704 462 HD2 HIS 63 HD2 HIS 63 4.399 -12.205 17.981 463 HE1 HIS 63 HE1 HIS 63 3.607 -9.686 21.297 464 HE2 HIS 63 HE2 HIS 63 3.157 -11.965 20.251 465 HA PRO 64 HA PRO 64 7.779 -10.179 12.502 466 1HB PRO 64 HB2 PRO 64 6.279 -11.093 10.496 467 2HB PRO 64 HB1 PRO 64 7.017 -12.189 11.671 468 1HG PRO 64 HG2 PRO 64 4.195 -11.217 11.498 469 2HG PRO 64 HG1 PRO 64 4.801 -12.837 11.885 470 1HD PRO 64 HD2 PRO 64 3.985 -10.958 13.752 471 2HD PRO 64 HD1 PRO 64 5.055 -12.331 14.092 472 H ILE 65 HN ILE 65 5.154 -8.352 13.334 473 HA ILE 65 HA ILE 65 5.496 -6.688 10.934 474 HB ILE 65 HB ILE 65 2.860 -7.212 12.311 475 1HG1 ILE 65 HG12 ILE 65 3.849 -7.824 9.511 476 2HG1 ILE 65 HG11 ILE 65 3.544 -9.003 10.782 477 1HG2 ILE 65 HG21 ILE 65 3.021 -4.872 11.687 478 2HG2 ILE 65 HG22 ILE 65 1.907 -5.704 10.602 479 3HG2 ILE 65 HG23 ILE 65 3.540 -5.314 10.061 480 1HD1 ILE 65 HD11 ILE 65 1.752 -8.974 9.150 481 2HD1 ILE 65 HD12 ILE 65 1.485 -7.258 9.454 482 3HD1 ILE 65 HD13 ILE 65 1.171 -8.438 10.727 483 H ILE 66 HN ILE 66 6.165 -4.750 11.335 484 HA ILE 66 HA ILE 66 5.385 -3.436 13.851 485 HB ILE 66 HB ILE 66 7.539 -2.195 13.785 486 1HG1 ILE 66 HG12 ILE 66 8.366 -4.264 11.738 487 2HG1 ILE 66 HG11 ILE 66 7.975 -2.592 11.350 488 1HG2 ILE 66 HG21 ILE 66 7.252 -4.105 15.263 489 2HG2 ILE 66 HG22 ILE 66 8.911 -4.010 14.675 490 3HG2 ILE 66 HG23 ILE 66 7.798 -5.191 13.984 491 1HD1 ILE 66 HD11 ILE 66 9.816 -1.849 12.784 492 2HD1 ILE 66 HD12 ILE 66 10.363 -2.893 11.470 493 3HD1 ILE 66 HD13 ILE 66 10.224 -3.534 13.108 494 H GLU 67 HN GLU 67 4.760 -1.317 13.683 495 HA GLU 67 HA GLU 67 4.338 -0.344 10.944 496 1HB GLU 67 HB2 GLU 67 2.334 -0.645 12.321 497 2HB GLU 67 HB1 GLU 67 3.004 0.417 13.549 498 1HG GLU 67 HG2 GLU 67 2.939 2.279 11.963 499 2HG GLU 67 HG1 GLU 67 2.240 1.207 10.748 500 H GLY 68 HN GLY 68 5.000 1.706 10.330 501 1HA GLY 68 HA2 GLY 68 7.236 2.827 11.683 502 2HA GLY 68 HA1 GLY 68 6.378 3.551 10.329 503 H TYR 69 HN TYR 69 6.986 3.711 13.660 504 HA TYR 69 HA TYR 69 4.553 5.214 14.230 505 1HB TYR 69 HB2 TYR 69 5.383 3.444 15.804 506 2HB TYR 69 HB1 TYR 69 6.775 4.468 16.139 507 HD1 TYR 69 HD1 TYR 69 6.489 5.040 18.394 508 HD2 TYR 69 HD2 TYR 69 3.221 5.482 15.706 509 HE1 TYR 69 HE1 TYR 69 5.211 6.201 20.146 510 HE2 TYR 69 HE2 TYR 69 1.935 6.642 17.449 511 HH TYR 69 HH TYR 69 3.387 7.575 20.494 512 H ASP 70 HN ASP 70 8.009 5.696 13.857 513 HA ASP 70 HA ASP 70 7.875 8.412 14.788 514 1HB ASP 70 HB2 ASP 70 10.195 8.586 14.410 515 2HB ASP 70 HB1 ASP 70 9.939 6.938 14.954 516 HA PRO 71 HA PRO 71 7.476 9.535 10.268 517 1HB PRO 71 HB2 PRO 71 7.338 7.587 8.353 518 2HB PRO 71 HB1 PRO 71 8.850 8.298 8.921 519 1HG PRO 71 HG2 PRO 71 7.888 5.607 9.286 520 2HG PRO 71 HG1 PRO 71 9.441 6.296 9.780 521 1HD PRO 71 HD2 PRO 71 6.987 5.863 11.364 522 2HD PRO 71 HD1 PRO 71 8.670 6.032 11.908 523 HA PRO 72 HA PRO 72 3.016 8.640 10.693 524 1HB PRO 72 HB2 PRO 72 2.758 11.419 9.784 525 2HB PRO 72 HB1 PRO 72 2.205 10.676 11.287 526 1HG PRO 72 HG2 PRO 72 4.250 12.415 11.245 527 2HG PRO 72 HG1 PRO 72 4.214 11.038 12.364 528 1HD PRO 72 HD2 PRO 72 5.692 11.329 9.767 529 2HD PRO 72 HD1 PRO 72 6.261 10.672 11.319 530 H GLU 73 HN GLU 73 4.615 8.073 8.273 531 HA GLU 73 HA GLU 73 3.131 9.093 6.025 532 1HB GLU 73 HB2 GLU 73 5.038 6.747 6.140 533 2HB GLU 73 HB1 GLU 73 4.527 7.617 4.700 534 1HG GLU 73 HG2 GLU 73 5.707 9.582 5.394 535 2HG GLU 73 HG1 GLU 73 6.088 8.854 6.953 536 H GLY 74 HN GLY 74 3.055 6.340 8.131 537 1HA GLY 74 HA2 GLY 74 1.270 4.892 8.486 538 2HA GLY 74 HA1 GLY 74 0.491 5.540 7.049 539 H TRP 75 HN TRP 75 3.152 3.448 8.107 540 HA TRP 75 HA TRP 75 2.393 1.555 6.068 541 1HB TRP 75 HB2 TRP 75 4.742 1.323 5.213 542 2HB TRP 75 HB1 TRP 75 3.933 2.812 4.747 543 HD1 TRP 75 HD1 TRP 75 5.040 5.059 5.453 544 HE1 TRP 75 HE1 TRP 75 7.257 5.678 6.613 545 HE3 TRP 75 HE3 TRP 75 6.379 0.420 7.140 546 HZ2 TRP 75 HZ2 TRP 75 9.288 4.360 8.063 547 HZ3 TRP 75 HZ3 TRP 75 8.475 0.188 8.407 548 HH2 TRP 75 HH2 TRP 75 9.896 2.118 8.857 549 H GLY 76 HN GLY 76 3.464 -0.513 6.309 550 1HA GLY 76 HA2 GLY 76 4.559 -0.919 9.016 551 2HA GLY 76 HA1 GLY 76 3.253 -1.928 8.412 552 H TRP 77 HN TRP 77 6.020 -2.560 9.257 553 HA TRP 77 HA TRP 77 7.068 -3.655 6.731 554 1HB TRP 77 HB2 TRP 77 8.650 -2.172 7.846 555 2HB TRP 77 HB1 TRP 77 8.480 -3.073 9.347 556 HD1 TRP 77 HD1 TRP 77 9.960 -5.218 9.647 557 HE1 TRP 77 HE1 TRP 77 11.810 -6.322 8.234 558 HE3 TRP 77 HE3 TRP 77 9.358 -2.576 5.312 559 HZ2 TRP 77 HZ2 TRP 77 12.873 -6.096 5.633 560 HZ3 TRP 77 HZ3 TRP 77 10.835 -3.080 3.409 561 HH2 TRP 77 HH2 TRP 77 12.556 -4.804 3.568 562 H CYS 78 HN CYS 78 7.148 -5.797 6.479 563 HA CYS 78 HA CYS 78 6.494 -7.468 8.819 564 1HB CYS 78 HB2 CYS 78 4.963 -7.364 6.697 565 2HB CYS 78 HB1 CYS 78 6.188 -8.392 5.982 566 H TYR 79 HN TYR 79 8.257 -8.411 9.600 567 HA TYR 79 HA TYR 79 10.770 -8.316 8.465 568 1HB TYR 79 HB2 TYR 79 9.664 -10.181 10.559 569 2HB TYR 79 HB1 TYR 79 11.371 -10.115 10.135 570 HD1 TYR 79 HD1 TYR 79 12.524 -7.810 10.335 571 HD2 TYR 79 HD2 TYR 79 8.823 -8.760 12.206 572 HE1 TYR 79 HE1 TYR 79 12.868 -5.978 11.936 573 HE2 TYR 79 HE2 TYR 79 9.155 -6.927 13.806 574 HH TYR 79 HH TYR 79 11.111 -5.661 14.761 575 H VAL 80 HN VAL 80 8.762 -11.262 8.696 576 HA VAL 80 HA VAL 80 10.609 -12.840 7.255 577 HB VAL 80 HB VAL 80 8.769 -14.531 7.141 578 1HG1 VAL 80 HG11 VAL 80 10.312 -14.474 9.019 579 2HG1 VAL 80 HG12 VAL 80 8.695 -14.918 9.565 580 3HG1 VAL 80 HG13 VAL 80 9.300 -13.284 9.837 581 1HG2 VAL 80 HG21 VAL 80 6.849 -13.070 7.000 582 2HG2 VAL 80 HG22 VAL 80 7.216 -12.382 8.582 583 3HG2 VAL 80 HG23 VAL 80 6.719 -14.069 8.448 584 H ASP 81 HN ASP 81 8.167 -10.686 6.188 585 HA ASP 81 HA ASP 81 7.921 -11.931 3.562 586 1HB ASP 81 HB2 ASP 81 6.722 -9.348 4.580 587 2HB ASP 81 HB1 ASP 81 6.332 -10.136 3.061 588 H GLU 82 HN GLU 82 9.432 -9.233 5.151 589 HA GLU 82 HA GLU 82 11.072 -7.792 4.547 590 1HB GLU 82 HB2 GLU 82 11.280 -9.526 2.081 591 2HB GLU 82 HB1 GLU 82 12.416 -8.255 2.514 592 1HG GLU 82 HG2 GLU 82 13.073 -9.434 4.493 593 2HG GLU 82 HG1 GLU 82 11.820 -10.647 4.235 594 H VAL 83 HN VAL 83 8.200 -7.597 3.671 595 HA VAL 83 HA VAL 83 8.570 -5.596 1.550 596 HB VAL 83 HB VAL 83 6.217 -5.877 0.958 597 1HG1 VAL 83 HG11 VAL 83 7.727 -8.485 1.027 598 2HG1 VAL 83 HG12 VAL 83 7.862 -7.229 -0.204 599 3HG1 VAL 83 HG13 VAL 83 6.352 -8.123 -0.016 600 1HG2 VAL 83 HG21 VAL 83 4.882 -7.706 1.902 601 2HG2 VAL 83 HG22 VAL 83 5.322 -6.516 3.129 602 3HG2 VAL 83 HG23 VAL 83 6.178 -8.056 3.045 603 H MET 84 HN MET 84 7.669 -3.596 1.760 604 HA MET 84 HA MET 84 6.627 -2.906 4.430 605 1HB MET 84 HB2 MET 84 8.726 -1.778 3.845 606 2HB MET 84 HB1 MET 84 8.004 -1.177 2.361 607 1HG MET 84 HG2 MET 84 6.465 0.192 3.619 608 2HG MET 84 HG1 MET 84 7.075 -0.470 5.135 609 1HE MET 84 HE1 MET 84 9.318 0.369 2.023 610 2HE MET 84 HE2 MET 84 9.699 2.068 2.302 611 3HE MET 84 HE3 MET 84 8.047 1.588 1.914 612 H PHE 85 HN PHE 85 4.484 -2.801 4.394 613 HA PHE 85 HA PHE 85 3.144 -2.013 1.892 614 1HB PHE 85 HB2 PHE 85 1.123 -3.104 2.965 615 2HB PHE 85 HB1 PHE 85 2.444 -4.190 2.554 616 HD1 PHE 85 HD1 PHE 85 0.763 -2.446 5.342 617 HD2 PHE 85 HD2 PHE 85 3.553 -5.454 4.211 618 HE1 PHE 85 HE1 PHE 85 0.791 -3.287 7.652 619 HE2 PHE 85 HE2 PHE 85 3.582 -6.295 6.520 620 HZ PHE 85 HZ PHE 85 2.203 -5.214 8.244 621 H ASP 86 HN ASP 86 0.965 -0.935 2.267 622 HA ASP 86 HA ASP 86 1.542 1.451 3.808 623 1HB ASP 86 HB2 ASP 86 -0.755 0.849 1.937 624 2HB ASP 86 HB1 ASP 86 -0.382 2.422 2.636 625 H LEU 87 HN LEU 87 0.604 2.043 5.626 626 HA LEU 87 HA LEU 87 -1.830 0.638 6.502 627 1HB LEU 87 HB2 LEU 87 0.631 1.324 8.092 628 2HB LEU 87 HB1 LEU 87 -0.917 1.048 8.867 629 HG LEU 87 HG LEU 87 0.597 -0.959 7.192 630 1HD1 LEU 87 HD11 LEU 87 0.088 -0.838 10.161 631 2HD1 LEU 87 HD12 LEU 87 1.633 -0.538 9.364 632 3HD1 LEU 87 HD13 LEU 87 0.904 -2.144 9.301 633 1HD2 LEU 87 HD21 LEU 87 -1.819 -1.233 6.983 634 2HD2 LEU 87 HD22 LEU 87 -1.979 -1.234 8.739 635 3HD2 LEU 87 HD23 LEU 87 -1.114 -2.542 7.932 636 H SER 88 HN SER 88 -1.428 3.177 5.089 637 HA SER 88 HA SER 88 -1.572 5.356 6.875 638 1HB SER 88 HB2 SER 88 -2.602 5.228 4.034 639 2HB SER 88 HB1 SER 88 -2.158 6.679 4.934 640 HG SER 88 HG SER 88 -0.016 5.998 4.924 641 H ASP 89 HN ASP 89 -3.902 3.013 6.028 642 HA ASP 89 HA ASP 89 -6.105 4.794 6.813 643 1HB ASP 89 HB2 ASP 89 -6.147 2.080 5.485 644 2HB ASP 89 HB1 ASP 89 -7.588 2.958 5.986 645 H ARG 90 HN ARG 90 -4.016 2.635 8.210 646 HA ARG 90 HA ARG 90 -5.990 1.938 10.283 647 1HB ARG 90 HB2 ARG 90 -3.862 0.063 9.239 648 2HB ARG 90 HB1 ARG 90 -5.027 -0.286 10.507 649 1HG ARG 90 HG2 ARG 90 -6.839 0.001 8.820 650 2HG ARG 90 HG1 ARG 90 -5.586 0.138 7.582 651 1HD ARG 90 HD2 ARG 90 -4.730 -2.082 8.277 652 2HD ARG 90 HD1 ARG 90 -6.082 -2.216 9.400 653 HE ARG 90 HE ARG 90 -6.337 -2.107 6.457 654 1HH1 ARG 90 HH11 ARG 90 -7.593 -2.992 9.606 655 2HH1 ARG 90 HH12 ARG 90 -8.832 -4.026 8.966 656 1HH2 ARG 90 HH21 ARG 90 -7.958 -3.461 5.616 657 2HH2 ARG 90 HH22 ARG 90 -9.049 -4.283 6.688 658 H MET 91 HN MET 91 -3.461 3.761 9.790 659 HA MET 91 HA MET 91 -1.390 2.828 11.418 660 1HB MET 91 HB2 MET 91 -0.540 5.137 11.388 661 2HB MET 91 HB1 MET 91 -1.007 4.571 9.793 662 1HG MET 91 HG2 MET 91 -3.099 5.820 9.962 663 2HG MET 91 HG1 MET 91 -2.624 6.392 11.560 664 1HE MET 91 HE1 MET 91 0.524 6.880 11.132 665 2HE MET 91 HE2 MET 91 -0.554 7.965 12.009 666 3HE MET 91 HE3 MET 91 0.500 8.602 10.747 667 H THR 92 HN THR 92 -0.713 3.293 13.463 668 HA THR 92 HA THR 92 -2.789 3.364 15.412 669 HB THR 92 HB THR 92 0.166 3.656 15.957 670 HG1 THR 92 HG1 THR 92 0.018 1.899 14.598 671 1HG2 THR 92 HG21 THR 92 -1.319 3.880 17.886 672 2HG2 THR 92 HG22 THR 92 -0.382 2.389 17.983 673 3HG2 THR 92 HG23 THR 92 -2.075 2.336 17.492 674 HA PRO 93 HA PRO 93 -2.883 7.801 16.108 675 1HB PRO 93 HB2 PRO 93 -4.152 7.076 18.664 676 2HB PRO 93 HB1 PRO 93 -4.791 8.042 17.331 677 1HG PRO 93 HG2 PRO 93 -5.712 5.573 17.859 678 2HG PRO 93 HG1 PRO 93 -5.594 6.197 16.203 679 1HD PRO 93 HD2 PRO 93 -3.779 4.305 17.650 680 2HD PRO 93 HD1 PRO 93 -4.343 4.261 15.965 681 H HIS 94 HN HIS 94 -1.056 8.772 16.726 682 HA HIS 94 HA HIS 94 0.757 7.712 18.593 683 1HB HIS 94 HB2 HIS 94 2.046 9.701 18.319 684 2HB HIS 94 HB1 HIS 94 1.322 9.345 16.759 685 HD1 HIS 94 HD1 HIS 94 2.035 12.101 18.821 686 HD2 HIS 94 HD2 HIS 94 -1.268 11.006 16.545 687 HE1 HIS 94 HE1 HIS 94 0.766 14.229 18.402 688 HE2 HIS 94 HE2 HIS 94 -1.156 13.567 16.915 689 H ASN 95 HN ASN 95 1.237 8.201 20.705 690 HA ASN 95 HA ASN 95 -1.056 9.161 22.225 691 1HB ASN 95 HB2 ASN 95 -0.022 8.127 24.141 692 2HB ASN 95 HB1 ASN 95 0.050 7.001 22.792 693 1HD2 ASN 95 HD21 ASN 95 1.659 7.097 25.191 694 2HD2 ASN 95 HD22 ASN 95 3.299 7.253 24.673 695 H GLY 96 HN GLY 96 1.607 10.583 20.946 696 1HA GLY 96 HA2 GLY 96 1.241 13.025 22.205 697 2HA GLY 96 HA1 GLY 96 2.514 12.198 23.092 698 HA PRO 97 HA PRO 97 4.389 14.288 19.342 699 1HB PRO 97 HB2 PRO 97 5.727 16.140 21.115 700 2HB PRO 97 HB1 PRO 97 4.579 16.493 19.822 701 1HG PRO 97 HG2 PRO 97 4.036 16.860 22.478 702 2HG PRO 97 HG1 PRO 97 2.795 16.548 21.251 703 1HD PRO 97 HD2 PRO 97 4.047 14.657 23.206 704 2HD PRO 97 HD1 PRO 97 2.352 14.785 22.688 705 H ILE 98 HN ILE 98 5.996 12.967 18.781 706 HA ILE 98 HA ILE 98 7.841 11.923 20.744 707 HB ILE 98 HB ILE 98 7.744 11.476 17.755 708 1HG1 ILE 98 HG12 ILE 98 6.653 9.814 20.040 709 2HG1 ILE 98 HG11 ILE 98 5.697 10.719 18.871 710 1HG2 ILE 98 HG21 ILE 98 9.942 11.004 18.675 711 2HG2 ILE 98 HG22 ILE 98 9.131 9.504 18.223 712 3HG2 ILE 98 HG23 ILE 98 9.222 9.981 19.918 713 1HD1 ILE 98 HD11 ILE 98 6.575 9.276 17.082 714 2HD1 ILE 98 HD12 ILE 98 5.693 8.378 18.318 715 3HD1 ILE 98 HD13 ILE 98 7.456 8.348 18.298 716 HA PRO 99 HA PRO 99 10.939 15.104 20.110 717 1HB PRO 99 HB2 PRO 99 12.718 12.997 21.203 718 2HB PRO 99 HB1 PRO 99 12.471 14.658 21.753 719 1HG PRO 99 HG2 PRO 99 11.473 12.593 23.120 720 2HG PRO 99 HG1 PRO 99 10.575 14.115 22.966 721 1HD PRO 99 HD2 PRO 99 10.172 11.521 21.534 722 2HD PRO 99 HD1 PRO 99 8.965 12.671 22.146 723 H ARG 100 HN ARG 100 11.579 15.395 18.074 724 HA ARG 100 HA ARG 100 12.549 13.123 16.520 725 1HB ARG 100 HB2 ARG 100 10.831 14.729 15.616 726 2HB ARG 100 HB1 ARG 100 12.084 15.962 15.597 727 1HG ARG 100 HG2 ARG 100 11.860 15.050 13.397 728 2HG ARG 100 HG1 ARG 100 13.407 14.529 14.071 729 1HD ARG 100 HD2 ARG 100 12.390 12.377 14.687 730 2HD ARG 100 HD1 ARG 100 10.871 12.899 13.962 731 HE ARG 100 HE ARG 100 13.282 12.812 12.289 732 1HH1 ARG 100 HH11 ARG 100 10.085 11.590 13.080 733 2HH1 ARG 100 HH12 ARG 100 9.991 10.572 11.679 734 1HH2 ARG 100 HH21 ARG 100 13.129 11.498 10.425 735 2HH2 ARG 100 HH22 ARG 100 11.702 10.544 10.157 736 H TYR 101 HN TYR 101 14.638 12.693 16.879 737 HA TYR 101 HA TYR 101 16.556 14.813 17.300 738 1HB TYR 101 HB2 TYR 101 16.960 11.825 17.027 739 2HB TYR 101 HB1 TYR 101 18.206 12.979 17.485 740 HD1 TYR 101 HD1 TYR 101 17.602 14.470 19.582 741 HD2 TYR 101 HD2 TYR 101 15.821 10.711 18.698 742 HE1 TYR 101 HE1 TYR 101 16.974 14.219 21.945 743 HE2 TYR 101 HE2 TYR 101 15.187 10.450 21.058 744 HH TYR 101 HH TYR 101 15.236 12.980 23.267 745 H VAL 102 HN VAL 102 15.462 12.773 14.718 746 HA VAL 102 HA VAL 102 17.567 13.834 12.969 747 HB VAL 102 HB VAL 102 16.878 11.921 11.421 748 1HG1 VAL 102 HG11 VAL 102 18.113 11.258 14.094 749 2HG1 VAL 102 HG12 VAL 102 18.958 11.922 12.695 750 3HG1 VAL 102 HG13 VAL 102 18.269 10.300 12.621 751 1HG2 VAL 102 HG21 VAL 102 14.753 11.361 12.481 752 2HG2 VAL 102 HG22 VAL 102 15.596 10.928 13.968 753 3HG2 VAL 102 HG23 VAL 102 15.844 9.975 12.505 Start of MODEL 19 1 1H MET 1 HT1 MET 1 6.230 -0.428 -2.445 2 2H MET 1 HT2 MET 1 6.342 1.050 -1.617 3 3H MET 1 HT3 MET 1 5.129 0.819 -2.775 4 HA MET 1 HA MET 1 5.384 -0.638 -0.214 5 1HB MET 1 HB2 MET 1 3.498 0.603 0.561 6 2HB MET 1 HB1 MET 1 4.648 1.770 -0.070 7 1HG MET 1 HG2 MET 1 2.193 0.768 -1.497 8 2HG MET 1 HG1 MET 1 2.355 2.323 -0.685 9 1HE MET 1 HE1 MET 1 1.519 3.545 -2.901 10 2HE MET 1 HE2 MET 1 1.368 1.985 -3.710 11 3HE MET 1 HE3 MET 1 2.251 3.300 -4.486 12 H THR 2 HN THR 2 3.554 -1.997 0.252 13 HA THR 2 HA THR 2 2.291 -3.069 -2.185 14 HB THR 2 HB THR 2 2.104 -5.217 -0.838 15 HG1 THR 2 HG1 THR 2 3.954 -3.800 0.812 16 1HG2 THR 2 HG21 THR 2 4.419 -5.896 -1.280 17 2HG2 THR 2 HG22 THR 2 4.880 -4.204 -1.467 18 3HG2 THR 2 HG23 THR 2 3.764 -4.945 -2.614 19 H MET 3 HN MET 3 0.317 -4.588 -1.252 20 HA MET 3 HA MET 3 -1.528 -2.661 -0.107 21 1HB MET 3 HB2 MET 3 -2.201 -4.092 -2.007 22 2HB MET 3 HB1 MET 3 -1.979 -5.517 -1.003 23 1HG MET 3 HG2 MET 3 -4.308 -5.018 -1.119 24 2HG MET 3 HG1 MET 3 -3.741 -4.669 0.512 25 1HE MET 3 HE1 MET 3 -4.902 -3.165 -2.920 26 2HE MET 3 HE2 MET 3 -3.257 -2.546 -2.768 27 3HE MET 3 HE3 MET 3 -4.628 -1.441 -2.667 28 H GLY 4 HN GLY 4 -0.005 -5.710 0.756 29 1HA GLY 4 HA2 GLY 4 0.344 -5.510 3.369 30 2HA GLY 4 HA1 GLY 4 -1.393 -5.782 3.319 31 H CYS 5 HN CYS 5 -1.299 -7.764 4.351 32 HA CYS 5 HA CYS 5 -0.876 -10.012 2.663 33 1HB CYS 5 HB2 CYS 5 0.886 -11.124 3.915 34 2HB CYS 5 HB1 CYS 5 1.475 -9.563 3.354 35 H ARG 6 HN ARG 6 -1.157 -12.106 4.094 36 HA ARG 6 HA ARG 6 -3.689 -11.962 5.233 37 1HB ARG 6 HB2 ARG 6 -3.304 -14.263 6.005 38 2HB ARG 6 HB1 ARG 6 -2.769 -14.031 4.347 39 1HG ARG 6 HG2 ARG 6 -0.443 -13.766 5.216 40 2HG ARG 6 HG1 ARG 6 -1.051 -14.222 6.809 41 1HD ARG 6 HD2 ARG 6 -1.845 -16.352 5.876 42 2HD ARG 6 HD1 ARG 6 -1.194 -15.895 4.303 43 HE ARG 6 HE ARG 6 0.450 -16.374 6.709 44 1HH1 ARG 6 HH11 ARG 6 0.007 -16.415 3.233 45 2HH1 ARG 6 HH12 ARG 6 1.547 -17.173 2.926 46 1HH2 ARG 6 HH21 ARG 6 2.459 -17.374 6.303 47 2HH2 ARG 6 HH22 ARG 6 2.925 -17.727 4.662 48 H HIS 7 HN HIS 7 -0.575 -11.565 6.740 49 HA HIS 7 HA HIS 7 -1.339 -11.895 9.429 50 1HB HIS 7 HB2 HIS 7 0.880 -10.237 8.223 51 2HB HIS 7 HB1 HIS 7 0.695 -10.535 9.947 52 HD2 HIS 7 HD2 HIS 7 0.619 -13.503 10.432 53 HE1 HIS 7 HE1 HIS 7 3.507 -13.996 7.383 54 HE2 HIS 7 HE2 HIS 7 2.541 -14.985 9.512 55 H VAL 8 HN VAL 8 -1.889 -9.326 7.197 56 HA VAL 8 HA VAL 8 -2.037 -7.154 8.984 57 HB VAL 8 HB VAL 8 -2.191 -7.410 6.259 58 1HG1 VAL 8 HG11 VAL 8 -4.890 -6.442 7.169 59 2HG1 VAL 8 HG12 VAL 8 -4.574 -7.964 6.335 60 3HG1 VAL 8 HG13 VAL 8 -4.279 -6.430 5.515 61 1HG2 VAL 8 HG21 VAL 8 -1.297 -5.514 7.478 62 2HG2 VAL 8 HG22 VAL 8 -2.929 -5.009 7.915 63 3HG2 VAL 8 HG23 VAL 8 -2.420 -4.979 6.227 64 H ALA 9 HN ALA 9 -4.274 -9.707 8.210 65 HA ALA 9 HA ALA 9 -6.616 -8.434 9.228 66 1HB ALA 9 HB1 ALA 9 -6.035 -11.364 8.815 67 2HB ALA 9 HB2 ALA 9 -6.751 -10.269 7.633 68 3HB ALA 9 HB3 ALA 9 -7.623 -10.659 9.115 69 H GLY 10 HN GLY 10 -3.904 -9.279 10.850 70 1HA GLY 10 HA2 GLY 10 -5.418 -10.012 13.279 71 2HA GLY 10 HA1 GLY 10 -3.793 -10.585 12.945 72 H ILE 11 HN ILE 11 -4.082 -7.378 11.966 73 HA ILE 11 HA ILE 11 -2.791 -6.511 14.458 74 HB ILE 11 HB ILE 11 -1.991 -4.546 13.206 75 1HG1 ILE 11 HG12 ILE 11 -3.193 -5.944 10.804 76 2HG1 ILE 11 HG11 ILE 11 -3.784 -4.448 11.518 77 1HG2 ILE 11 HG21 ILE 11 -0.574 -6.491 13.427 78 2HG2 ILE 11 HG22 ILE 11 -0.335 -5.750 11.845 79 3HG2 ILE 11 HG23 ILE 11 -1.302 -7.217 11.994 80 1HD1 ILE 11 HD11 ILE 11 -1.073 -4.818 10.270 81 2HD1 ILE 11 HD12 ILE 11 -1.745 -3.312 10.898 82 3HD1 ILE 11 HD13 ILE 11 -2.471 -4.083 9.486 83 H ARG 12 HN ARG 12 -3.439 -4.679 15.552 84 HA ARG 12 HA ARG 12 -5.985 -3.471 14.716 85 1HB ARG 12 HB2 ARG 12 -6.786 -3.540 17.031 86 2HB ARG 12 HB1 ARG 12 -6.475 -5.161 16.428 87 1HG ARG 12 HG2 ARG 12 -4.253 -5.065 17.583 88 2HG ARG 12 HG1 ARG 12 -4.783 -3.555 18.326 89 1HD ARG 12 HD2 ARG 12 -6.155 -6.227 18.580 90 2HD ARG 12 HD1 ARG 12 -5.135 -5.475 19.804 91 HE ARG 12 HE ARG 12 -6.928 -3.594 19.616 92 1HH1 ARG 12 HH11 ARG 12 -7.520 -7.027 19.309 93 2HH1 ARG 12 HH12 ARG 12 -9.089 -6.953 20.050 94 1HH2 ARG 12 HH21 ARG 12 -9.001 -3.490 20.602 95 2HH2 ARG 12 HH22 ARG 12 -9.924 -4.952 20.794 96 H THR 13 HN THR 13 -6.413 -1.438 16.127 97 HA THR 13 HA THR 13 -4.022 0.185 16.071 98 HB THR 13 HB THR 13 -6.782 0.952 17.053 99 HG1 THR 13 HG1 THR 13 -6.829 1.893 14.830 100 1HG2 THR 13 HG21 THR 13 -5.005 2.494 17.737 101 2HG2 THR 13 HG22 THR 13 -6.047 3.236 16.524 102 3HG2 THR 13 HG23 THR 13 -4.460 2.619 16.064 103 H VAL 14 HN VAL 14 -2.627 -0.224 17.653 104 HA VAL 14 HA VAL 14 -3.592 -1.081 20.257 105 HB VAL 14 HB VAL 14 -1.123 -1.526 20.665 106 1HG1 VAL 14 HG11 VAL 14 -1.142 -3.570 19.288 107 2HG1 VAL 14 HG12 VAL 14 -2.518 -2.932 18.388 108 3HG1 VAL 14 HG13 VAL 14 -2.681 -3.299 20.105 109 1HG2 VAL 14 HG21 VAL 14 -0.989 -1.002 17.693 110 2HG2 VAL 14 HG22 VAL 14 0.307 -1.668 18.687 111 3HG2 VAL 14 HG23 VAL 14 -0.244 -0.013 18.950 112 H THR 15 HN THR 15 -2.691 -0.267 22.213 113 HA THR 15 HA THR 15 -2.487 2.611 22.228 114 HB THR 15 HB THR 15 -2.224 0.752 24.595 115 HG1 THR 15 HG1 THR 15 -4.410 1.282 22.988 116 1HG2 THR 15 HG21 THR 15 -3.245 3.585 24.340 117 2HG2 THR 15 HG22 THR 15 -1.675 3.110 24.988 118 3HG2 THR 15 HG23 THR 15 -3.153 2.649 25.833 119 HA PRO 16 HA PRO 16 1.994 2.521 22.021 120 1HB PRO 16 HB2 PRO 16 1.715 5.305 22.985 121 2HB PRO 16 HB1 PRO 16 2.507 4.693 21.529 122 1HG PRO 16 HG2 PRO 16 0.176 5.996 21.395 123 2HG PRO 16 HG1 PRO 16 0.535 4.630 20.321 124 1HD PRO 16 HD2 PRO 16 -1.174 4.717 22.776 125 2HD PRO 16 HD1 PRO 16 -1.446 3.865 21.241 126 H SER 17 HN SER 17 3.094 1.551 23.592 127 HA SER 17 HA SER 17 2.530 1.964 26.365 128 1HB SER 17 HB2 SER 17 3.252 -0.225 25.480 129 2HB SER 17 HB1 SER 17 4.817 0.469 25.058 130 HG SER 17 HG SER 17 3.770 0.476 27.699 131 H ALA 18 HN ALA 18 4.828 3.237 24.090 132 HA ALA 18 HA ALA 18 5.799 5.078 26.136 133 1HB ALA 18 HB1 ALA 18 7.450 3.256 26.074 134 2HB ALA 18 HB2 ALA 18 8.129 4.769 25.472 135 3HB ALA 18 HB3 ALA 18 7.650 3.506 24.339 136 H LEU 19 HN LEU 19 6.918 6.960 25.156 137 HA LEU 19 HA LEU 19 5.533 7.891 22.827 138 1HB LEU 19 HB2 LEU 19 7.928 9.076 24.243 139 2HB LEU 19 HB1 LEU 19 6.918 9.902 23.071 140 HG LEU 19 HG LEU 19 6.015 8.944 25.790 141 1HD1 LEU 19 HD11 LEU 19 6.588 11.721 24.766 142 2HD1 LEU 19 HD12 LEU 19 7.559 10.821 25.932 143 3HD1 LEU 19 HD13 LEU 19 5.919 11.320 26.348 144 1HD2 LEU 19 HD21 LEU 19 3.977 10.206 25.311 145 2HD2 LEU 19 HD22 LEU 19 4.215 8.904 24.144 146 3HD2 LEU 19 HD23 LEU 19 4.580 10.570 23.694 147 H GLY 20 HN GLY 20 8.720 6.670 23.546 148 1HA GLY 20 HA2 GLY 20 9.144 6.133 20.719 149 2HA GLY 20 HA1 GLY 20 10.351 7.124 21.531 150 H CYS 21 HN CYS 21 12.101 5.887 21.872 151 HA CYS 21 HA CYS 21 11.747 3.103 22.619 152 1HB CYS 21 HB2 CYS 21 13.562 3.900 21.015 153 2HB CYS 21 HB1 CYS 21 14.372 4.581 22.424 154 HG CYS 21 HG CYS 21 13.497 1.378 22.804 155 H GLU 22 HN GLU 22 11.202 2.760 24.628 156 HA GLU 22 HA GLU 22 11.370 4.654 26.672 157 1HB GLU 22 HB2 GLU 22 10.404 2.996 28.091 158 2HB GLU 22 HB1 GLU 22 9.700 2.807 26.494 159 1HG GLU 22 HG2 GLU 22 11.863 1.081 27.689 160 2HG GLU 22 HG1 GLU 22 10.158 0.665 27.550 161 H GLU 23 HN GLU 23 13.437 1.887 25.938 162 HA GLU 23 HA GLU 23 14.977 2.016 28.308 163 1HB GLU 23 HB2 GLU 23 14.893 0.024 26.884 164 2HB GLU 23 HB1 GLU 23 15.713 0.899 25.599 165 1HG GLU 23 HG2 GLU 23 17.697 1.108 26.965 166 2HG GLU 23 HG1 GLU 23 16.876 0.322 28.313 167 H CYS 24 HN CYS 24 15.527 3.362 25.056 168 HA CYS 24 HA CYS 24 18.033 4.486 25.563 169 1HB CYS 24 HB2 CYS 24 15.843 5.416 23.698 170 2HB CYS 24 HB1 CYS 24 17.490 6.037 23.680 171 HG CYS 24 HG CYS 24 18.304 4.318 21.966 172 H LEU 25 HN LEU 25 14.815 5.614 26.342 173 HA LEU 25 HA LEU 25 15.537 8.292 26.938 174 1HB LEU 25 HB2 LEU 25 13.148 6.626 27.693 175 2HB LEU 25 HB1 LEU 25 13.314 8.314 28.137 176 HG LEU 25 HG LEU 25 13.292 7.286 25.297 177 1HD1 LEU 25 HD11 LEU 25 11.059 8.252 25.164 178 2HD1 LEU 25 HD12 LEU 25 11.129 8.671 26.876 179 3HD1 LEU 25 HD13 LEU 25 11.125 6.978 26.382 180 1HD2 LEU 25 HD21 LEU 25 14.553 9.347 25.554 181 2HD2 LEU 25 HD22 LEU 25 13.209 10.081 26.429 182 3HD2 LEU 25 HD23 LEU 25 13.027 9.660 24.726 183 H LYS 26 HN LYS 26 16.037 5.391 28.687 184 HA LYS 26 HA LYS 26 15.869 6.584 31.300 185 1HB LYS 26 HB2 LYS 26 16.451 4.495 32.173 186 2HB LYS 26 HB1 LYS 26 15.566 4.095 30.710 187 1HG LYS 26 HG2 LYS 26 17.818 3.898 29.567 188 2HG LYS 26 HG1 LYS 26 18.530 3.976 31.178 189 1HD LYS 26 HD2 LYS 26 16.507 1.935 30.259 190 2HD LYS 26 HD1 LYS 26 18.244 1.662 30.386 191 1HE LYS 26 HE2 LYS 26 18.129 2.109 32.792 192 2HE LYS 26 HE1 LYS 26 16.388 2.364 32.657 193 1HZ LYS 26 HZ1 LYS 26 17.806 -0.167 32.016 194 2HZ LYS 26 HZ2 LYS 26 16.132 0.080 31.932 195 3HZ LYS 26 HZ3 LYS 26 16.924 0.130 33.432 196 H ILE 27 HN ILE 27 18.259 6.368 28.836 197 HA ILE 27 HA ILE 27 20.268 7.425 30.720 198 HB ILE 27 HB ILE 27 22.015 6.449 29.222 199 1HG1 ILE 27 HG12 ILE 27 19.674 4.914 28.066 200 2HG1 ILE 27 HG11 ILE 27 20.578 6.169 27.225 201 1HG2 ILE 27 HG21 ILE 27 20.135 4.480 30.512 202 2HG2 ILE 27 HG22 ILE 27 21.394 5.401 31.333 203 3HG2 ILE 27 HG23 ILE 27 21.831 4.194 30.124 204 1HD1 ILE 27 HD11 ILE 27 21.260 3.938 26.530 205 2HD1 ILE 27 HD12 ILE 27 21.706 3.551 28.192 206 3HD1 ILE 27 HD13 ILE 27 22.584 4.802 27.311 207 H GLY 28 HN GLY 28 18.300 8.294 28.286 208 1HA GLY 28 HA2 GLY 28 18.245 10.200 26.984 209 2HA GLY 28 HA1 GLY 28 19.791 10.659 27.680 210 H SER 29 HN SER 29 19.047 7.698 25.932 211 HA SER 29 HA SER 29 21.271 8.224 24.138 212 1HB SER 29 HB2 SER 29 21.050 5.999 25.185 213 2HB SER 29 HB1 SER 29 19.483 5.789 24.405 214 HG SER 29 HG SER 29 22.056 5.905 23.227 215 HA PRO 30 HA PRO 30 18.469 9.592 20.944 216 1HB PRO 30 HB2 PRO 30 20.309 9.947 19.003 217 2HB PRO 30 HB1 PRO 30 20.141 11.065 20.361 218 1HG PRO 30 HG2 PRO 30 22.142 8.889 19.932 219 2HG PRO 30 HG1 PRO 30 22.374 10.510 20.612 220 1HD PRO 30 HD2 PRO 30 22.138 8.228 22.121 221 2HD PRO 30 HD1 PRO 30 21.729 9.853 22.704 222 H TRP 31 HN TRP 31 17.328 8.554 19.422 223 HA TRP 31 HA TRP 31 18.357 5.989 18.427 224 1HB TRP 31 HB2 TRP 31 15.934 5.492 17.943 225 2HB TRP 31 HB1 TRP 31 16.317 5.672 19.652 226 HD1 TRP 31 HD1 TRP 31 14.732 7.731 16.772 227 HE1 TRP 31 HE1 TRP 31 13.036 9.367 17.808 228 HE3 TRP 31 HE3 TRP 31 15.561 6.737 21.719 229 HZ2 TRP 31 HZ2 TRP 31 12.159 10.119 20.374 230 HZ3 TRP 31 HZ3 TRP 31 14.246 7.959 23.401 231 HH2 TRP 31 HH2 TRP 31 12.580 9.617 22.740 232 H VAL 32 HN VAL 32 17.306 5.434 16.203 233 HA VAL 32 HA VAL 32 17.678 7.785 14.476 234 HB VAL 32 HB VAL 32 17.759 4.868 13.682 235 1HG1 VAL 32 HG11 VAL 32 17.151 6.408 11.870 236 2HG1 VAL 32 HG12 VAL 32 18.732 5.671 11.606 237 3HG1 VAL 32 HG13 VAL 32 18.619 7.336 12.176 238 1HG2 VAL 32 HG21 VAL 32 20.050 6.770 14.170 239 2HG2 VAL 32 HG22 VAL 32 20.182 5.114 13.576 240 3HG2 VAL 32 HG23 VAL 32 19.591 5.421 15.209 241 H HIS 33 HN HIS 33 15.734 4.772 14.519 242 HA HIS 33 HA HIS 33 13.397 6.400 13.789 243 1HB HIS 33 HB2 HIS 33 14.110 3.737 12.543 244 2HB HIS 33 HB1 HIS 33 12.613 4.618 12.272 245 HD1 HIS 33 HD1 HIS 33 15.756 4.025 10.768 246 HD2 HIS 33 HD2 HIS 33 13.295 7.365 11.138 247 HE1 HIS 33 HE1 HIS 33 16.471 5.609 8.939 248 HE2 HIS 33 HE2 HIS 33 14.958 7.615 9.163 249 H LEU 34 HN LEU 34 11.350 5.386 14.300 250 HA LEU 34 HA LEU 34 11.534 3.412 16.470 251 1HB LEU 34 HB2 LEU 34 9.816 5.891 16.389 252 2HB LEU 34 HB1 LEU 34 9.709 4.637 17.610 253 HG LEU 34 HG LEU 34 12.163 6.320 17.119 254 1HD1 LEU 34 HD11 LEU 34 11.517 7.459 19.204 255 2HD1 LEU 34 HD12 LEU 34 9.993 6.571 19.189 256 3HD1 LEU 34 HD13 LEU 34 10.358 7.716 17.900 257 1HD2 LEU 34 HD21 LEU 34 12.624 4.131 18.109 258 2HD2 LEU 34 HD22 LEU 34 11.426 4.443 19.365 259 3HD2 LEU 34 HD23 LEU 34 12.887 5.427 19.276 260 H ARG 35 HN ARG 35 9.822 2.002 16.675 261 HA ARG 35 HA ARG 35 7.717 2.135 14.641 262 1HB ARG 35 HB2 ARG 35 8.048 -0.484 14.564 263 2HB ARG 35 HB1 ARG 35 8.991 0.581 13.535 264 1HG ARG 35 HG2 ARG 35 10.511 -0.985 14.400 265 2HG ARG 35 HG1 ARG 35 10.791 0.499 15.308 266 1HD ARG 35 HD2 ARG 35 10.772 -1.013 17.017 267 2HD ARG 35 HD1 ARG 35 9.063 -0.590 16.969 268 HE ARG 35 HE ARG 35 9.394 -2.762 15.281 269 1HH1 ARG 35 HH11 ARG 35 9.717 -2.032 18.683 270 2HH1 ARG 35 HH12 ARG 35 9.562 -3.679 19.191 271 1HH2 ARG 35 HH21 ARG 35 9.196 -4.942 15.925 272 2HH2 ARG 35 HH22 ARG 35 9.253 -5.345 17.610 273 H ILE 36 HN ILE 36 5.745 1.651 15.354 274 HA ILE 36 HA ILE 36 5.484 0.626 18.095 275 HB ILE 36 HB ILE 36 4.243 2.674 17.669 276 1HG1 ILE 36 HG12 ILE 36 2.364 0.309 17.851 277 2HG1 ILE 36 HG11 ILE 36 3.293 0.966 19.194 278 1HG2 ILE 36 HG21 ILE 36 3.944 2.471 15.263 279 2HG2 ILE 36 HG22 ILE 36 2.404 2.777 16.066 280 3HG2 ILE 36 HG23 ILE 36 2.799 1.151 15.505 281 1HD1 ILE 36 HD11 ILE 36 2.086 3.075 18.997 282 2HD1 ILE 36 HD12 ILE 36 0.988 1.719 19.258 283 3HD1 ILE 36 HD13 ILE 36 1.159 2.419 17.648 284 H CYS 37 HN CYS 37 5.013 -1.363 18.431 285 HA CYS 37 HA CYS 37 4.610 -3.194 16.261 286 1HB CYS 37 HB2 CYS 37 6.005 -3.684 18.217 287 2HB CYS 37 HB1 CYS 37 4.596 -3.557 19.255 288 H ARG 38 HN ARG 38 2.668 -3.445 15.341 289 HA ARG 38 HA ARG 38 0.315 -2.323 16.477 290 1HB ARG 38 HB2 ARG 38 0.725 -4.020 14.016 291 2HB ARG 38 HB1 ARG 38 -0.798 -3.256 14.439 292 1HG ARG 38 HG2 ARG 38 1.773 -1.776 13.934 293 2HG ARG 38 HG1 ARG 38 0.501 -2.026 12.738 294 1HD ARG 38 HD2 ARG 38 0.274 -0.508 15.335 295 2HD ARG 38 HD1 ARG 38 0.287 0.172 13.708 296 HE ARG 38 HE ARG 38 -1.868 -1.615 14.638 297 1HH1 ARG 38 HH11 ARG 38 -0.787 1.358 13.122 298 2HH1 ARG 38 HH12 ARG 38 -2.397 1.871 12.717 299 1HH2 ARG 38 HH21 ARG 38 -3.981 -0.908 14.107 300 2HH2 ARG 38 HH22 ARG 38 -4.196 0.605 13.288 301 H THR 39 HN THR 39 1.670 -5.092 17.437 302 HA THR 39 HA THR 39 -0.838 -6.608 17.534 303 HB THR 39 HB THR 39 1.889 -7.582 18.387 304 HG1 THR 39 HG1 THR 39 0.670 -8.206 15.903 305 1HG2 THR 39 HG21 THR 39 -0.008 -8.872 19.239 306 2HG2 THR 39 HG22 THR 39 0.888 -9.796 18.033 307 3HG2 THR 39 HG23 THR 39 -0.642 -9.033 17.601 308 H CYS 40 HN CYS 40 1.499 -4.980 19.591 309 HA CYS 40 HA CYS 40 -0.151 -5.695 21.911 310 1HB CYS 40 HB2 CYS 40 1.844 -6.039 23.281 311 2HB CYS 40 HB1 CYS 40 1.847 -7.129 21.900 312 H GLY 41 HN GLY 41 1.569 -3.272 20.184 313 1HA GLY 41 HA2 GLY 41 1.144 -0.977 20.483 314 2HA GLY 41 HA1 GLY 41 0.628 -1.308 22.127 315 H HIS 42 HN HIS 42 3.569 -2.830 21.416 316 HA HIS 42 HA HIS 42 4.893 -0.927 23.165 317 1HB HIS 42 HB2 HIS 42 5.041 -3.502 23.381 318 2HB HIS 42 HB1 HIS 42 6.184 -3.407 22.045 319 HD1 HIS 42 HD1 HIS 42 5.900 -2.955 25.684 320 HD2 HIS 42 HD2 HIS 42 8.577 -1.914 22.679 321 HE1 HIS 42 HE1 HIS 42 8.017 -2.290 26.860 322 HE2 HIS 42 HE2 HIS 42 9.474 -1.343 25.034 323 H VAL 43 HN VAL 43 6.272 0.555 22.527 324 HA VAL 43 HA VAL 43 6.919 0.736 19.676 325 HB VAL 43 HB VAL 43 7.352 2.798 21.855 326 1HG1 VAL 43 HG11 VAL 43 7.520 4.383 19.995 327 2HG1 VAL 43 HG12 VAL 43 7.330 3.058 18.846 328 3HG1 VAL 43 HG13 VAL 43 8.753 3.127 19.886 329 1HG2 VAL 43 HG21 VAL 43 4.976 2.286 21.652 330 2HG2 VAL 43 HG22 VAL 43 5.055 2.546 19.909 331 3HG2 VAL 43 HG23 VAL 43 5.325 3.893 21.015 332 H GLY 44 HN GLY 44 9.001 0.612 18.917 333 1HA GLY 44 HA2 GLY 44 11.173 0.593 20.886 334 2HA GLY 44 HA1 GLY 44 10.985 -0.810 19.843 335 H CYS 45 HN CYS 45 13.291 0.784 19.922 336 HA CYS 45 HA CYS 45 13.326 2.480 17.616 337 1HB CYS 45 HB2 CYS 45 15.764 2.479 17.943 338 2HB CYS 45 HB1 CYS 45 14.923 2.790 19.459 339 HG CYS 45 HG CYS 45 16.722 0.074 18.528 340 H CYS 46 HN CYS 46 14.164 2.001 15.570 341 HA CYS 46 HA CYS 46 13.691 -0.678 14.708 342 1HB CYS 46 HB2 CYS 46 14.815 1.703 13.222 343 2HB CYS 46 HB1 CYS 46 14.334 0.183 12.475 344 HG CYS 46 HG CYS 46 12.344 2.019 11.917 345 H ASP 47 HN ASP 47 15.432 -1.450 12.932 346 HA ASP 47 HA ASP 47 17.567 -2.533 14.412 347 1HB ASP 47 HB2 ASP 47 16.676 -3.712 12.510 348 2HB ASP 47 HB1 ASP 47 17.060 -2.374 11.434 349 H ASP 48 HN ASP 48 17.325 0.248 12.313 350 HA ASP 48 HA ASP 48 20.004 0.896 11.959 351 1HB ASP 48 HB2 ASP 48 19.111 3.309 11.882 352 2HB ASP 48 HB1 ASP 48 18.475 2.159 10.711 353 H SER 49 HN SER 49 17.956 1.337 14.752 354 HA SER 49 HA SER 49 19.897 3.017 16.094 355 1HB SER 49 HB2 SER 49 17.358 1.784 17.184 356 2HB SER 49 HB1 SER 49 18.272 3.123 17.882 357 HG SER 49 HG SER 49 17.289 3.304 15.240 358 HA PRO 50 HA PRO 50 22.455 -0.164 17.550 359 1HB PRO 50 HB2 PRO 50 23.153 0.875 20.023 360 2HB PRO 50 HB1 PRO 50 23.900 1.305 18.482 361 1HG PRO 50 HG2 PRO 50 21.765 2.726 20.018 362 2HG PRO 50 HG1 PRO 50 23.142 3.398 19.124 363 1HD PRO 50 HD2 PRO 50 20.675 3.447 18.101 364 2HD PRO 50 HD1 PRO 50 22.088 3.142 17.068 365 H HIS 51 HN HIS 51 19.797 0.788 19.631 366 HA HIS 51 HA HIS 51 20.193 -1.420 21.445 367 1HB HIS 51 HB2 HIS 51 18.006 0.641 21.188 368 2HB HIS 51 HB1 HIS 51 17.934 -0.671 22.357 369 HD1 HIS 51 HD1 HIS 51 18.708 0.023 24.607 370 HD2 HIS 51 HD2 HIS 51 20.665 2.116 21.582 371 HE1 HIS 51 HE1 HIS 51 20.212 1.667 25.773 372 HE2 HIS 51 HE2 HIS 51 21.545 2.761 23.931 373 H LYS 52 HN LYS 52 18.726 -1.008 18.428 374 HA LYS 52 HA LYS 52 17.262 -2.238 17.157 375 1HB LYS 52 HB2 LYS 52 19.002 -4.389 18.354 376 2HB LYS 52 HB1 LYS 52 18.036 -4.560 16.896 377 1HG LYS 52 HG2 LYS 52 19.347 -2.744 15.857 378 2HG LYS 52 HG1 LYS 52 20.360 -2.690 17.303 379 1HD LYS 52 HD2 LYS 52 20.949 -5.058 16.940 380 2HD LYS 52 HD1 LYS 52 19.987 -5.047 15.459 381 1HE LYS 52 HE2 LYS 52 22.368 -3.279 16.001 382 2HE LYS 52 HE1 LYS 52 22.399 -4.753 15.034 383 1HZ LYS 52 HZ1 LYS 52 22.216 -2.823 13.622 384 2HZ LYS 52 HZ2 LYS 52 20.832 -2.301 14.440 385 3HZ LYS 52 HZ3 LYS 52 20.781 -3.726 13.528 386 H HIS 53 HN HIS 53 15.639 -1.672 19.162 387 HA HIS 53 HA HIS 53 14.700 -4.009 20.530 388 1HB HIS 53 HB2 HIS 53 13.758 -1.174 20.355 389 2HB HIS 53 HB1 HIS 53 12.692 -2.409 21.020 390 HD1 HIS 53 HD1 HIS 53 15.059 -0.019 22.107 391 HD2 HIS 53 HD2 HIS 53 14.229 -3.955 23.139 392 HE1 HIS 53 HE1 HIS 53 16.084 -0.353 24.374 393 HE2 HIS 53 HE2 HIS 53 15.750 -2.800 24.875 394 H ALA 54 HN ALA 54 14.189 -2.700 17.446 395 HA ALA 54 HA ALA 54 11.563 -3.656 16.988 396 1HB ALA 54 HB1 ALA 54 12.562 -1.942 15.594 397 2HB ALA 54 HB2 ALA 54 12.076 -3.331 14.619 398 3HB ALA 54 HB3 ALA 54 13.776 -3.090 15.023 399 H THR 55 HN THR 55 14.768 -5.038 16.339 400 HA THR 55 HA THR 55 13.688 -7.363 15.070 401 HB THR 55 HB THR 55 16.116 -8.161 15.288 402 HG1 THR 55 HG1 THR 55 17.597 -6.620 15.932 403 1HG2 THR 55 HG21 THR 55 15.198 -7.184 13.235 404 2HG2 THR 55 HG22 THR 55 16.869 -6.679 13.490 405 3HG2 THR 55 HG23 THR 55 15.547 -5.567 13.847 406 H ARG 56 HN ARG 56 15.286 -6.741 18.189 407 HA ARG 56 HA ARG 56 15.269 -9.405 19.067 408 1HB ARG 56 HB2 ARG 56 15.295 -6.879 20.723 409 2HB ARG 56 HB1 ARG 56 15.701 -8.487 21.308 410 1HG ARG 56 HG2 ARG 56 17.524 -8.536 19.573 411 2HG ARG 56 HG1 ARG 56 17.196 -6.824 19.301 412 1HD ARG 56 HD2 ARG 56 19.025 -7.023 20.842 413 2HD ARG 56 HD1 ARG 56 17.616 -6.416 21.712 414 HE ARG 56 HE ARG 56 17.627 -9.196 21.959 415 1HH1 ARG 56 HH11 ARG 56 19.612 -6.468 22.948 416 2HH1 ARG 56 HH12 ARG 56 20.203 -7.270 24.376 417 1HH2 ARG 56 HH21 ARG 56 18.408 -10.230 23.851 418 2HH2 ARG 56 HH22 ARG 56 19.526 -9.389 24.882 419 H HIS 57 HN HIS 57 12.868 -6.835 19.427 420 HA HIS 57 HA HIS 57 11.218 -8.165 21.283 421 1HB HIS 57 HB2 HIS 57 10.942 -5.784 20.833 422 2HB HIS 57 HB1 HIS 57 10.470 -6.128 19.173 423 HD1 HIS 57 HD1 HIS 57 9.149 -6.190 22.698 424 HD2 HIS 57 HD2 HIS 57 7.857 -7.010 18.821 425 HE1 HIS 57 HE1 HIS 57 6.633 -6.455 22.815 426 H PHE 58 HN PHE 58 11.388 -8.302 17.762 427 HA PHE 58 HA PHE 58 9.000 -9.738 17.342 428 1HB PHE 58 HB2 PHE 58 10.103 -8.662 15.478 429 2HB PHE 58 HB1 PHE 58 11.545 -9.641 15.712 430 HD1 PHE 58 HD1 PHE 58 7.945 -10.616 15.626 431 HD2 PHE 58 HD2 PHE 58 11.774 -10.929 13.833 432 HE1 PHE 58 HE1 PHE 58 7.073 -12.308 14.070 433 HE2 PHE 58 HE2 PHE 58 10.919 -12.621 12.267 434 HZ PHE 58 HZ PHE 58 8.560 -13.314 12.387 435 H HIS 59 HN HIS 59 12.336 -10.798 17.874 436 HA HIS 59 HA HIS 59 11.748 -13.570 17.600 437 1HB HIS 59 HB2 HIS 59 14.020 -12.441 17.360 438 2HB HIS 59 HB1 HIS 59 14.076 -12.395 19.119 439 HD1 HIS 59 HD1 HIS 59 14.191 -14.758 16.218 440 HD2 HIS 59 HD2 HIS 59 14.662 -14.834 20.349 441 HE1 HIS 59 HE1 HIS 59 15.140 -17.024 16.750 442 HE2 HIS 59 HE2 HIS 59 15.651 -16.941 19.214 443 H ALA 60 HN ALA 60 11.565 -11.300 20.207 444 HA ALA 60 HA ALA 60 11.559 -13.265 22.300 445 1HB ALA 60 HB1 ALA 60 10.773 -10.359 22.401 446 2HB ALA 60 HB2 ALA 60 12.399 -10.991 22.657 447 3HB ALA 60 HB3 ALA 60 11.106 -11.404 23.782 448 H THR 61 HN THR 61 9.065 -11.340 20.647 449 HA THR 61 HA THR 61 7.033 -12.694 22.281 450 HB THR 61 HB THR 61 5.475 -10.944 21.304 451 HG1 THR 61 HG1 THR 61 7.963 -9.748 20.565 452 1HG2 THR 61 HG21 THR 61 6.389 -10.811 23.584 453 2HG2 THR 61 HG22 THR 61 6.199 -9.215 22.857 454 3HG2 THR 61 HG23 THR 61 7.799 -9.953 22.959 455 H GLY 62 HN GLY 62 8.009 -12.167 18.942 456 1HA GLY 62 HA2 GLY 62 7.427 -13.498 17.103 457 2HA GLY 62 HA1 GLY 62 6.175 -14.259 18.078 458 H HIS 63 HN HIS 63 6.817 -10.845 17.393 459 HA HIS 63 HA HIS 63 4.081 -10.644 16.308 460 1HB HIS 63 HB2 HIS 63 5.673 -8.581 17.855 461 2HB HIS 63 HB1 HIS 63 4.139 -8.252 17.062 462 HD2 HIS 63 HD2 HIS 63 3.245 -11.456 18.395 463 HE1 HIS 63 HE1 HIS 63 2.924 -8.890 21.749 464 HE2 HIS 63 HE2 HIS 63 2.121 -11.059 20.708 465 HA PRO 64 HA PRO 64 6.891 -9.906 12.916 466 1HB PRO 64 HB2 PRO 64 5.316 -10.770 10.941 467 2HB PRO 64 HB1 PRO 64 6.003 -11.882 12.132 468 1HG PRO 64 HG2 PRO 64 3.240 -10.755 11.960 469 2HG PRO 64 HG1 PRO 64 3.758 -12.394 12.392 470 1HD PRO 64 HD2 PRO 64 3.065 -10.412 14.202 471 2HD PRO 64 HD1 PRO 64 4.053 -11.836 14.580 472 H ILE 65 HN ILE 65 4.226 -7.977 13.618 473 HA ILE 65 HA ILE 65 4.752 -6.376 11.204 474 HB ILE 65 HB ILE 65 2.059 -6.754 12.514 475 1HG1 ILE 65 HG12 ILE 65 3.148 -7.491 9.787 476 2HG1 ILE 65 HG11 ILE 65 2.667 -8.604 11.063 477 1HG2 ILE 65 HG21 ILE 65 1.200 -5.235 10.793 478 2HG2 ILE 65 HG22 ILE 65 2.844 -4.953 10.220 479 3HG2 ILE 65 HG23 ILE 65 2.371 -4.429 11.837 480 1HD1 ILE 65 HD11 ILE 65 0.836 -6.751 9.559 481 2HD1 ILE 65 HD12 ILE 65 0.355 -7.879 10.827 482 3HD1 ILE 65 HD13 ILE 65 1.000 -8.489 9.304 483 H ILE 66 HN ILE 66 5.306 -4.372 11.482 484 HA ILE 66 HA ILE 66 4.665 -3.004 14.008 485 HB ILE 66 HB ILE 66 6.871 -1.878 13.911 486 1HG1 ILE 66 HG12 ILE 66 7.564 -3.967 11.831 487 2HG1 ILE 66 HG11 ILE 66 7.213 -2.285 11.452 488 1HG2 ILE 66 HG21 ILE 66 7.036 -4.884 14.057 489 2HG2 ILE 66 HG22 ILE 66 6.491 -3.821 15.355 490 3HG2 ILE 66 HG23 ILE 66 8.160 -3.739 14.791 491 1HD1 ILE 66 HD11 ILE 66 9.600 -2.709 11.498 492 2HD1 ILE 66 HD12 ILE 66 9.480 -3.271 13.166 493 3HD1 ILE 66 HD13 ILE 66 9.134 -1.586 12.775 494 H GLU 67 HN GLU 67 4.533 -0.705 13.820 495 HA GLU 67 HA GLU 67 4.168 0.245 11.057 496 1HB GLU 67 HB2 GLU 67 2.046 0.147 12.219 497 2HB GLU 67 HB1 GLU 67 2.712 1.017 13.592 498 1HG GLU 67 HG2 GLU 67 2.915 3.023 12.287 499 2HG GLU 67 HG1 GLU 67 2.415 2.168 10.828 500 H GLY 68 HN GLY 68 5.061 2.205 10.501 501 1HA GLY 68 HA2 GLY 68 7.308 3.109 11.994 502 2HA GLY 68 HA1 GLY 68 6.621 3.896 10.578 503 H TYR 69 HN TYR 69 6.969 3.988 13.953 504 HA TYR 69 HA TYR 69 4.676 5.716 14.405 505 1HB TYR 69 HB2 TYR 69 5.597 3.873 15.993 506 2HB TYR 69 HB1 TYR 69 6.794 5.084 16.444 507 HD1 TYR 69 HD1 TYR 69 6.265 5.874 18.565 508 HD2 TYR 69 HD2 TYR 69 3.142 5.324 15.731 509 HE1 TYR 69 HE1 TYR 69 4.658 6.850 20.153 510 HE2 TYR 69 HE2 TYR 69 1.528 6.294 17.307 511 HH TYR 69 HH TYR 69 1.271 6.680 19.671 512 H ASP 70 HN ASP 70 8.134 5.893 14.100 513 HA ASP 70 HA ASP 70 8.307 8.658 14.865 514 1HB ASP 70 HB2 ASP 70 10.300 7.580 15.312 515 2HB ASP 70 HB1 ASP 70 10.223 6.612 13.846 516 HA PRO 71 HA PRO 71 8.808 9.370 10.122 517 1HB PRO 71 HB2 PRO 71 8.007 7.379 8.446 518 2HB PRO 71 HB1 PRO 71 9.675 7.570 8.996 519 1HG PRO 71 HG2 PRO 71 7.547 5.725 10.000 520 2HG PRO 71 HG1 PRO 71 9.268 5.403 9.716 521 1HD PRO 71 HD2 PRO 71 8.263 5.875 12.182 522 2HD PRO 71 HD1 PRO 71 9.905 6.359 11.712 523 HA PRO 72 HA PRO 72 4.411 10.246 10.450 524 1HB PRO 72 HB2 PRO 72 4.474 12.565 9.058 525 2HB PRO 72 HB1 PRO 72 5.039 12.439 10.728 526 1HG PRO 72 HG2 PRO 72 6.621 12.447 8.187 527 2HG PRO 72 HG1 PRO 72 6.950 13.286 9.714 528 1HD PRO 72 HD2 PRO 72 8.179 10.971 9.005 529 2HD PRO 72 HD1 PRO 72 7.853 11.413 10.693 530 H GLU 73 HN GLU 73 5.381 8.405 8.413 531 HA GLU 73 HA GLU 73 3.914 9.234 6.012 532 1HB GLU 73 HB2 GLU 73 5.685 6.834 6.508 533 2HB GLU 73 HB1 GLU 73 4.927 7.237 4.975 534 1HG GLU 73 HG2 GLU 73 6.269 9.155 4.706 535 2HG GLU 73 HG1 GLU 73 6.838 9.077 6.374 536 H GLY 74 HN GLY 74 3.969 6.810 8.562 537 1HA GLY 74 HA2 GLY 74 2.257 5.483 9.360 538 2HA GLY 74 HA1 GLY 74 1.182 6.236 8.191 539 H TRP 75 HN TRP 75 3.797 3.862 8.476 540 HA TRP 75 HA TRP 75 2.366 2.191 6.562 541 1HB TRP 75 HB2 TRP 75 4.590 1.550 5.516 542 2HB TRP 75 HB1 TRP 75 3.972 3.144 5.106 543 HD1 TRP 75 HD1 TRP 75 5.474 5.178 5.627 544 HE1 TRP 75 HE1 TRP 75 7.827 5.486 6.623 545 HE3 TRP 75 HE3 TRP 75 6.220 0.438 7.392 546 HZ2 TRP 75 HZ2 TRP 75 9.742 3.917 7.984 547 HZ3 TRP 75 HZ3 TRP 75 8.340 -0.075 8.527 548 HH2 TRP 75 HH2 TRP 75 10.064 1.629 8.816 549 H GLY 76 HN GLY 76 3.068 -0.055 6.603 550 1HA GLY 76 HA2 GLY 76 4.092 -0.789 9.272 551 2HA GLY 76 HA1 GLY 76 2.766 -1.634 8.486 552 H TRP 77 HN TRP 77 5.508 -2.401 9.441 553 HA TRP 77 HA TRP 77 6.507 -3.589 6.936 554 1HB TRP 77 HB2 TRP 77 8.165 -2.140 7.988 555 2HB TRP 77 HB1 TRP 77 7.964 -2.976 9.522 556 HD1 TRP 77 HD1 TRP 77 9.337 -5.190 9.888 557 HE1 TRP 77 HE1 TRP 77 11.165 -6.396 8.521 558 HE3 TRP 77 HE3 TRP 77 8.882 -2.632 5.484 559 HZ2 TRP 77 HZ2 TRP 77 12.259 -6.271 5.932 560 HZ3 TRP 77 HZ3 TRP 77 10.359 -3.239 3.614 561 HH2 TRP 77 HH2 TRP 77 12.012 -5.021 3.834 562 H CYS 78 HN CYS 78 6.559 -5.762 6.776 563 HA CYS 78 HA CYS 78 5.819 -7.296 9.184 564 1HB CYS 78 HB2 CYS 78 4.290 -7.273 7.087 565 2HB CYS 78 HB1 CYS 78 5.515 -8.306 6.366 566 H TYR 79 HN TYR 79 7.496 -8.330 10.040 567 HA TYR 79 HA TYR 79 10.053 -8.198 9.014 568 1HB TYR 79 HB2 TYR 79 8.898 -10.019 11.115 569 2HB TYR 79 HB1 TYR 79 10.621 -9.945 10.755 570 HD1 TYR 79 HD1 TYR 79 11.779 -7.679 10.967 571 HD2 TYR 79 HD2 TYR 79 7.929 -8.474 12.593 572 HE1 TYR 79 HE1 TYR 79 12.022 -5.750 12.472 573 HE2 TYR 79 HE2 TYR 79 8.161 -6.546 14.099 574 HH TYR 79 HH TYR 79 10.735 -4.260 13.754 575 H VAL 80 HN VAL 80 8.191 -11.253 9.251 576 HA VAL 80 HA VAL 80 10.171 -12.712 7.850 577 HB VAL 80 HB VAL 80 8.449 -14.530 7.722 578 1HG1 VAL 80 HG11 VAL 80 9.995 -14.353 9.595 579 2HG1 VAL 80 HG12 VAL 80 8.421 -14.940 10.133 580 3HG1 VAL 80 HG13 VAL 80 8.883 -13.263 10.424 581 1HG2 VAL 80 HG21 VAL 80 6.450 -13.133 7.594 582 2HG2 VAL 80 HG22 VAL 80 6.752 -12.539 9.227 583 3HG2 VAL 80 HG23 VAL 80 6.363 -14.240 8.965 584 H ASP 81 HN ASP 81 7.544 -10.795 6.765 585 HA ASP 81 HA ASP 81 7.382 -12.030 4.147 586 1HB ASP 81 HB2 ASP 81 6.172 -9.437 5.134 587 2HB ASP 81 HB1 ASP 81 5.786 -10.244 3.623 588 H GLU 82 HN GLU 82 8.741 -9.203 5.673 589 HA GLU 82 HA GLU 82 10.228 -7.630 5.062 590 1HB GLU 82 HB2 GLU 82 10.824 -9.495 2.761 591 2HB GLU 82 HB1 GLU 82 11.782 -8.081 3.187 592 1HG GLU 82 HG2 GLU 82 12.156 -9.104 5.427 593 2HG GLU 82 HG1 GLU 82 11.356 -10.558 4.836 594 H VAL 83 HN VAL 83 7.440 -7.802 4.016 595 HA VAL 83 HA VAL 83 7.709 -5.971 1.741 596 HB VAL 83 HB VAL 83 5.344 -6.351 1.270 597 1HG1 VAL 83 HG11 VAL 83 5.468 -8.726 0.607 598 2HG1 VAL 83 HG12 VAL 83 6.924 -8.898 1.588 599 3HG1 VAL 83 HG13 VAL 83 6.922 -7.818 0.193 600 1HG2 VAL 83 HG21 VAL 83 5.397 -8.273 3.596 601 2HG2 VAL 83 HG22 VAL 83 4.058 -8.059 2.468 602 3HG2 VAL 83 HG23 VAL 83 4.533 -6.737 3.536 603 H MET 84 HN MET 84 7.027 -3.924 1.870 604 HA MET 84 HA MET 84 6.000 -3.013 4.470 605 1HB MET 84 HB2 MET 84 8.166 -2.049 3.730 606 2HB MET 84 HB1 MET 84 7.371 -1.415 2.296 607 1HG MET 84 HG2 MET 84 5.906 -0.063 3.747 608 2HG MET 84 HG1 MET 84 6.796 -0.651 5.149 609 1HE MET 84 HE1 MET 84 9.753 -0.770 4.031 610 2HE MET 84 HE2 MET 84 9.380 -0.078 5.610 611 3HE MET 84 HE3 MET 84 10.378 0.820 4.466 612 H PHE 85 HN PHE 85 4.021 -2.181 4.588 613 HA PHE 85 HA PHE 85 2.684 -1.349 2.102 614 1HB PHE 85 HB2 PHE 85 0.557 -2.319 3.080 615 2HB PHE 85 HB1 PHE 85 1.748 -3.500 2.551 616 HD1 PHE 85 HD1 PHE 85 0.011 -2.051 5.414 617 HD2 PHE 85 HD2 PHE 85 2.962 -4.853 4.167 618 HE1 PHE 85 HE1 PHE 85 -0.065 -3.115 7.632 619 HE2 PHE 85 HE2 PHE 85 2.893 -5.918 6.383 620 HZ PHE 85 HZ PHE 85 1.379 -5.049 8.118 621 H ASP 86 HN ASP 86 1.052 0.293 2.401 622 HA ASP 86 HA ASP 86 1.808 2.057 4.561 623 1HB ASP 86 HB2 ASP 86 0.372 3.714 3.474 624 2HB ASP 86 HB1 ASP 86 1.486 2.989 2.322 625 H LEU 87 HN LEU 87 0.508 2.822 6.177 626 HA LEU 87 HA LEU 87 -1.995 1.335 6.631 627 1HB LEU 87 HB2 LEU 87 0.293 1.857 8.508 628 2HB LEU 87 HB1 LEU 87 -1.322 1.554 9.115 629 HG LEU 87 HG LEU 87 0.226 -0.363 7.370 630 1HD1 LEU 87 HD11 LEU 87 -0.248 -0.394 10.349 631 2HD1 LEU 87 HD12 LEU 87 1.294 -0.088 9.549 632 3HD1 LEU 87 HD13 LEU 87 0.528 -1.670 9.411 633 1HD2 LEU 87 HD21 LEU 87 -1.501 -1.955 8.027 634 2HD2 LEU 87 HD22 LEU 87 -2.207 -0.571 7.192 635 3HD2 LEU 87 HD23 LEU 87 -2.323 -0.695 8.948 636 H SER 88 HN SER 88 -1.402 4.062 5.587 637 HA SER 88 HA SER 88 -1.672 6.080 7.458 638 1HB SER 88 HB2 SER 88 -2.901 6.131 4.699 639 2HB SER 88 HB1 SER 88 -2.301 7.499 5.637 640 HG SER 88 HG SER 88 -0.972 6.061 3.894 641 H ASP 89 HN ASP 89 -4.134 3.976 6.127 642 HA ASP 89 HA ASP 89 -6.329 5.594 7.070 643 1HB ASP 89 HB2 ASP 89 -7.754 3.826 6.220 644 2HB ASP 89 HB1 ASP 89 -6.527 4.234 5.031 645 H ARG 90 HN ARG 90 -4.357 3.119 8.367 646 HA ARG 90 HA ARG 90 -6.224 2.784 10.637 647 1HB ARG 90 HB2 ARG 90 -4.099 0.849 9.696 648 2HB ARG 90 HB1 ARG 90 -5.179 0.608 11.057 649 1HG ARG 90 HG2 ARG 90 -7.090 0.594 9.497 650 2HG ARG 90 HG1 ARG 90 -5.953 0.738 8.151 651 1HD ARG 90 HD2 ARG 90 -4.850 -1.344 8.932 652 2HD ARG 90 HD1 ARG 90 -6.100 -1.505 10.162 653 HE ARG 90 HE ARG 90 -6.767 -1.471 7.287 654 1HH1 ARG 90 HH11 ARG 90 -6.899 -2.977 10.446 655 2HH1 ARG 90 HH12 ARG 90 -7.961 -4.256 9.947 656 1HH2 ARG 90 HH21 ARG 90 -8.141 -3.175 6.603 657 2HH2 ARG 90 HH22 ARG 90 -8.654 -4.380 7.752 658 H MET 91 HN MET 91 -3.840 4.672 10.002 659 HA MET 91 HA MET 91 -1.611 3.759 11.459 660 1HB MET 91 HB2 MET 91 -0.660 5.953 11.119 661 2HB MET 91 HB1 MET 91 -1.449 5.412 9.646 662 1HG MET 91 HG2 MET 91 -3.379 6.828 10.177 663 2HG MET 91 HG1 MET 91 -2.554 7.386 11.631 664 1HE MET 91 HE1 MET 91 0.482 7.506 10.484 665 2HE MET 91 HE2 MET 91 -0.219 8.716 11.560 666 3HE MET 91 HE3 MET 91 0.572 9.217 10.066 667 H THR 92 HN THR 92 -0.808 4.206 13.431 668 HA THR 92 HA THR 92 -2.706 5.040 15.450 669 HB THR 92 HB THR 92 0.195 4.369 15.924 670 HG1 THR 92 HG1 THR 92 -0.519 2.613 14.794 671 1HG2 THR 92 HG21 THR 92 -2.295 4.015 17.600 672 2HG2 THR 92 HG22 THR 92 -1.068 5.262 17.822 673 3HG2 THR 92 HG23 THR 92 -0.658 3.566 18.081 674 HA PRO 93 HA PRO 93 -1.215 9.294 15.304 675 1HB PRO 93 HB2 PRO 93 -2.657 10.100 17.497 676 2HB PRO 93 HB1 PRO 93 -3.318 10.015 15.861 677 1HG PRO 93 HG2 PRO 93 -3.572 8.063 18.112 678 2HG PRO 93 HG1 PRO 93 -4.799 8.598 16.948 679 1HD PRO 93 HD2 PRO 93 -3.539 6.230 16.702 680 2HD PRO 93 HD1 PRO 93 -4.017 7.191 15.287 681 H HIS 94 HN HIS 94 0.558 10.153 16.265 682 HA HIS 94 HA HIS 94 1.805 8.677 18.374 683 1HB HIS 94 HB2 HIS 94 3.604 10.406 18.265 684 2HB HIS 94 HB1 HIS 94 3.277 9.612 16.735 685 HD1 HIS 94 HD1 HIS 94 3.581 12.902 18.278 686 HD2 HIS 94 HD2 HIS 94 1.802 11.303 14.873 687 HE1 HIS 94 HE1 HIS 94 3.168 14.852 16.744 688 HE2 HIS 94 HE2 HIS 94 1.972 13.881 14.750 689 H ASN 95 HN ASN 95 1.737 8.967 20.465 690 HA ASN 95 HA ASN 95 -0.210 10.882 21.455 691 1HB ASN 95 HB2 ASN 95 -0.135 9.591 23.519 692 2HB ASN 95 HB1 ASN 95 -0.322 8.515 22.139 693 1HD2 ASN 95 HD21 ASN 95 0.663 7.931 24.796 694 2HD2 ASN 95 HD22 ASN 95 2.269 7.313 24.597 695 H GLY 96 HN GLY 96 2.775 11.408 20.728 696 1HA GLY 96 HA2 GLY 96 3.085 13.484 22.674 697 2HA GLY 96 HA1 GLY 96 4.265 12.195 22.876 698 HA PRO 97 HA PRO 97 5.717 15.070 19.463 699 1HB PRO 97 HB2 PRO 97 7.442 16.499 21.271 700 2HB PRO 97 HB1 PRO 97 6.105 17.133 20.310 701 1HG PRO 97 HG2 PRO 97 6.101 16.969 23.056 702 2HG PRO 97 HG1 PRO 97 4.641 17.022 22.053 703 1HD PRO 97 HD2 PRO 97 5.986 14.671 23.328 704 2HD PRO 97 HD1 PRO 97 4.253 15.018 23.141 705 H ILE 98 HN ILE 98 6.776 13.207 18.773 706 HA ILE 98 HA ILE 98 8.926 12.054 20.274 707 HB ILE 98 HB ILE 98 8.086 11.499 17.425 708 1HG1 ILE 98 HG12 ILE 98 7.331 10.144 20.027 709 2HG1 ILE 98 HG11 ILE 98 6.260 11.095 19.003 710 1HG2 ILE 98 HG21 ILE 98 9.285 9.392 17.701 711 2HG2 ILE 98 HG22 ILE 98 9.770 9.870 19.328 712 3HG2 ILE 98 HG23 ILE 98 10.368 10.765 17.930 713 1HD1 ILE 98 HD11 ILE 98 5.871 8.722 18.717 714 2HD1 ILE 98 HD12 ILE 98 7.559 8.485 18.265 715 3HD1 ILE 98 HD13 ILE 98 6.493 9.435 17.227 716 HA PRO 99 HA PRO 99 11.973 14.891 18.642 717 1HB PRO 99 HB2 PRO 99 13.877 13.245 20.135 718 2HB PRO 99 HB1 PRO 99 13.452 14.943 20.358 719 1HG PRO 99 HG2 PRO 99 12.736 13.026 22.120 720 2HG PRO 99 HG1 PRO 99 11.743 14.463 21.815 721 1HD PRO 99 HD2 PRO 99 11.402 11.671 20.799 722 2HD PRO 99 HD1 PRO 99 10.175 12.825 21.357 723 H ARG 100 HN ARG 100 12.163 14.357 16.495 724 HA ARG 100 HA ARG 100 13.592 11.996 15.664 725 1HB ARG 100 HB2 ARG 100 11.963 12.781 14.120 726 2HB ARG 100 HB1 ARG 100 12.562 14.432 14.211 727 1HG ARG 100 HG2 ARG 100 13.167 13.399 12.103 728 2HG ARG 100 HG1 ARG 100 14.603 13.766 13.058 729 1HD ARG 100 HD2 ARG 100 15.058 11.639 12.285 730 2HD ARG 100 HD1 ARG 100 14.379 11.321 13.880 731 HE ARG 100 HE ARG 100 12.513 10.370 12.891 732 1HH1 ARG 100 HH11 ARG 100 14.583 11.867 10.483 733 2HH1 ARG 100 HH12 ARG 100 13.807 11.082 9.139 734 1HH2 ARG 100 HH21 ARG 100 11.543 9.281 11.144 735 2HH2 ARG 100 HH22 ARG 100 12.073 9.604 9.511 736 H TYR 101 HN TYR 101 15.725 11.808 15.774 737 HA TYR 101 HA TYR 101 17.327 14.195 16.228 738 1HB TYR 101 HB2 TYR 101 18.074 11.270 16.405 739 2HB TYR 101 HB1 TYR 101 19.113 12.617 16.857 740 HD1 TYR 101 HD1 TYR 101 18.205 14.207 18.694 741 HD2 TYR 101 HD2 TYR 101 16.683 10.297 17.997 742 HE1 TYR 101 HE1 TYR 101 17.264 14.177 20.965 743 HE2 TYR 101 HE2 TYR 101 15.736 10.255 20.265 744 HH TYR 101 HH TYR 101 16.104 11.346 22.437 745 H VAL 102 HN VAL 102 16.834 11.749 13.785 746 HA VAL 102 HA VAL 102 19.159 12.709 12.304 747 HB VAL 102 HB VAL 102 18.601 10.811 10.708 748 1HG1 VAL 102 HG11 VAL 102 19.595 9.116 12.191 749 2HG1 VAL 102 HG12 VAL 102 19.288 10.166 13.573 750 3HG1 VAL 102 HG13 VAL 102 20.413 10.674 12.313 751 1HG2 VAL 102 HG21 VAL 102 17.232 8.983 11.605 752 2HG2 VAL 102 HG22 VAL 102 16.278 10.448 11.367 753 3HG2 VAL 102 HG23 VAL 102 16.799 9.989 12.988 Start of MODEL 20 1 1H MET 1 HT1 MET 1 6.241 0.887 -1.706 2 2H MET 1 HT2 MET 1 5.008 0.528 -2.815 3 3H MET 1 HT3 MET 1 6.277 -0.568 -2.576 4 HA MET 1 HA MET 1 5.586 -1.011 -0.353 5 1HB MET 1 HB2 MET 1 3.623 0.000 0.611 6 2HB MET 1 HB1 MET 1 4.690 1.286 0.066 7 1HG MET 1 HG2 MET 1 3.324 1.618 -1.909 8 2HG MET 1 HG1 MET 1 2.283 0.277 -1.436 9 1HE MET 1 HE1 MET 1 0.079 1.687 -1.570 10 2HE MET 1 HE2 MET 1 1.044 3.031 -2.183 11 3HE MET 1 HE3 MET 1 -0.098 3.294 -0.864 12 H THR 2 HN THR 2 3.387 -2.145 0.217 13 HA THR 2 HA THR 2 2.051 -3.115 -2.207 14 HB THR 2 HB THR 2 3.745 -4.799 -1.584 15 HG1 THR 2 HG1 THR 2 2.382 -6.431 -1.912 16 1HG2 THR 2 HG21 THR 2 3.904 -4.364 0.805 17 2HG2 THR 2 HG22 THR 2 3.521 -6.061 0.514 18 3HG2 THR 2 HG23 THR 2 2.256 -4.949 1.038 19 H MET 3 HN MET 3 0.148 -4.689 -1.253 20 HA MET 3 HA MET 3 -1.479 -2.876 0.322 21 1HB MET 3 HB2 MET 3 -2.101 -5.529 -0.983 22 2HB MET 3 HB1 MET 3 -3.275 -4.592 -0.069 23 1HG MET 3 HG2 MET 3 -2.999 -2.736 -1.649 24 2HG MET 3 HG1 MET 3 -1.862 -3.712 -2.577 25 1HE MET 3 HE1 MET 3 -6.330 -4.767 -2.069 26 2HE MET 3 HE2 MET 3 -5.583 -3.326 -1.378 27 3HE MET 3 HE3 MET 3 -5.145 -4.923 -0.772 28 H GLY 4 HN GLY 4 0.395 -5.718 0.801 29 1HA GLY 4 HA2 GLY 4 0.963 -5.794 3.292 30 2HA GLY 4 HA1 GLY 4 -0.766 -6.045 3.485 31 H CYS 5 HN CYS 5 -0.310 -8.013 4.518 32 HA CYS 5 HA CYS 5 -0.145 -10.211 2.637 33 1HB CYS 5 HB2 CYS 5 1.528 -11.437 3.956 34 2HB CYS 5 HB1 CYS 5 2.196 -9.930 3.341 35 H ARG 6 HN ARG 6 -0.678 -12.332 3.893 36 HA ARG 6 HA ARG 6 -3.177 -11.930 5.103 37 1HB ARG 6 HB2 ARG 6 -3.186 -14.320 5.546 38 2HB ARG 6 HB1 ARG 6 -2.572 -13.993 3.933 39 1HG ARG 6 HG2 ARG 6 -0.277 -14.276 4.780 40 2HG ARG 6 HG1 ARG 6 -0.940 -14.688 6.363 41 1HD ARG 6 HD2 ARG 6 -1.407 -16.174 3.784 42 2HD ARG 6 HD1 ARG 6 -0.387 -16.699 5.124 43 HE ARG 6 HE ARG 6 -2.904 -16.286 6.194 44 1HH1 ARG 6 HH11 ARG 6 -1.480 -18.323 3.724 45 2HH1 ARG 6 HH12 ARG 6 -2.615 -19.624 3.965 46 1HH2 ARG 6 HH21 ARG 6 -4.396 -17.975 6.508 47 2HH2 ARG 6 HH22 ARG 6 -4.280 -19.423 5.558 48 H HIS 7 HN HIS 7 -0.007 -12.045 6.495 49 HA HIS 7 HA HIS 7 -0.595 -12.552 9.177 50 1HB HIS 7 HB2 HIS 7 1.489 -10.733 7.956 51 2HB HIS 7 HB1 HIS 7 1.410 -11.093 9.674 52 HD2 HIS 7 HD2 HIS 7 1.038 -14.315 9.524 53 HE1 HIS 7 HE1 HIS 7 4.625 -14.144 7.290 54 HE2 HIS 7 HE2 HIS 7 3.215 -15.557 8.846 55 H VAL 8 HN VAL 8 -1.322 -9.810 7.214 56 HA VAL 8 HA VAL 8 -1.432 -7.789 9.160 57 HB VAL 8 HB VAL 8 -1.695 -7.807 6.465 58 1HG1 VAL 8 HG11 VAL 8 -3.999 -8.609 6.524 59 2HG1 VAL 8 HG12 VAL 8 -3.894 -6.984 5.846 60 3HG1 VAL 8 HG13 VAL 8 -4.457 -7.213 7.502 61 1HG2 VAL 8 HG21 VAL 8 -2.654 -5.621 8.301 62 2HG2 VAL 8 HG22 VAL 8 -2.150 -5.422 6.623 63 3HG2 VAL 8 HG23 VAL 8 -0.980 -5.930 7.841 64 H ALA 9 HN ALA 9 -3.647 -10.354 8.386 65 HA ALA 9 HA ALA 9 -5.957 -9.205 9.590 66 1HB ALA 9 HB1 ALA 9 -5.327 -12.108 9.074 67 2HB ALA 9 HB2 ALA 9 -6.095 -11.002 7.935 68 3HB ALA 9 HB3 ALA 9 -6.916 -11.433 9.435 69 H GLY 10 HN GLY 10 -3.106 -10.225 10.964 70 1HA GLY 10 HA2 GLY 10 -4.405 -11.164 13.431 71 2HA GLY 10 HA1 GLY 10 -2.721 -11.425 13.003 72 H ILE 11 HN ILE 11 -3.321 -8.321 12.167 73 HA ILE 11 HA ILE 11 -2.296 -7.336 14.736 74 HB ILE 11 HB ILE 11 -1.559 -5.342 13.549 75 1HG1 ILE 11 HG12 ILE 11 -2.654 -6.696 11.075 76 2HG1 ILE 11 HG11 ILE 11 -3.345 -5.277 11.848 77 1HG2 ILE 11 HG21 ILE 11 -0.068 -7.265 13.693 78 2HG2 ILE 11 HG22 ILE 11 0.194 -6.369 12.197 79 3HG2 ILE 11 HG23 ILE 11 -0.708 -7.885 12.171 80 1HD1 ILE 11 HD11 ILE 11 -1.376 -3.988 11.301 81 2HD1 ILE 11 HD12 ILE 11 -2.050 -4.732 9.848 82 3HD1 ILE 11 HD13 ILE 11 -0.610 -5.416 10.605 83 H ARG 12 HN ARG 12 -3.145 -5.368 15.627 84 HA ARG 12 HA ARG 12 -5.855 -4.723 14.714 85 1HB ARG 12 HB2 ARG 12 -6.635 -4.716 17.070 86 2HB ARG 12 HB1 ARG 12 -6.173 -6.305 16.487 87 1HG ARG 12 HG2 ARG 12 -5.126 -6.425 18.466 88 2HG ARG 12 HG1 ARG 12 -3.857 -5.540 17.620 89 1HD ARG 12 HD2 ARG 12 -4.390 -4.560 19.815 90 2HD ARG 12 HD1 ARG 12 -4.695 -3.442 18.486 91 HE ARG 12 HE ARG 12 -7.111 -4.573 18.847 92 1HH1 ARG 12 HH11 ARG 12 -4.853 -3.177 21.128 93 2HH1 ARG 12 HH12 ARG 12 -6.094 -2.575 22.184 94 1HH2 ARG 12 HH21 ARG 12 -8.745 -3.763 20.225 95 2HH2 ARG 12 HH22 ARG 12 -8.296 -2.915 21.675 96 H THR 13 HN THR 13 -6.643 -2.823 16.391 97 HA THR 13 HA THR 13 -4.849 -0.636 15.781 98 HB THR 13 HB THR 13 -7.441 -0.500 17.334 99 HG1 THR 13 HG1 THR 13 -7.932 0.206 14.874 100 1HG2 THR 13 HG21 THR 13 -5.979 1.524 15.630 101 2HG2 THR 13 HG22 THR 13 -6.058 1.522 17.392 102 3HG2 THR 13 HG23 THR 13 -7.522 1.786 16.444 103 H VAL 14 HN VAL 14 -3.116 -0.462 17.085 104 HA VAL 14 HA VAL 14 -3.370 -1.269 19.878 105 HB VAL 14 HB VAL 14 -0.884 -1.235 19.887 106 1HG1 VAL 14 HG11 VAL 14 -2.084 -3.295 19.455 107 2HG1 VAL 14 HG12 VAL 14 -0.624 -3.226 18.467 108 3HG1 VAL 14 HG13 VAL 14 -2.197 -2.895 17.741 109 1HG2 VAL 14 HG21 VAL 14 -1.237 -0.633 16.951 110 2HG2 VAL 14 HG22 VAL 14 0.277 -1.127 17.708 111 3HG2 VAL 14 HG23 VAL 14 -0.472 0.407 18.153 112 H THR 15 HN THR 15 -2.092 -0.103 21.491 113 HA THR 15 HA THR 15 -2.150 2.811 21.053 114 HB THR 15 HB THR 15 -2.736 1.334 23.634 115 HG1 THR 15 HG1 THR 15 -4.356 2.259 21.545 116 1HG2 THR 15 HG21 THR 15 -2.993 4.264 22.936 117 2HG2 THR 15 HG22 THR 15 -1.754 3.559 23.974 118 3HG2 THR 15 HG23 THR 15 -3.446 3.522 24.471 119 HA PRO 16 HA PRO 16 2.174 2.365 22.062 120 1HB PRO 16 HB2 PRO 16 2.809 4.994 22.084 121 2HB PRO 16 HB1 PRO 16 2.531 4.091 20.592 122 1HG PRO 16 HG2 PRO 16 0.693 5.934 22.062 123 2HG PRO 16 HG1 PRO 16 0.969 5.783 20.317 124 1HD PRO 16 HD2 PRO 16 -1.168 4.682 21.599 125 2HD PRO 16 HD1 PRO 16 -0.461 4.000 20.121 126 H SER 17 HN SER 17 3.372 2.362 23.898 127 HA SER 17 HA SER 17 2.179 3.634 26.266 128 1HB SER 17 HB2 SER 17 2.256 1.155 26.310 129 2HB SER 17 HB1 SER 17 4.009 1.223 26.138 130 HG SER 17 HG SER 17 3.770 2.663 28.142 131 H ALA 18 HN ALA 18 4.420 4.376 24.138 132 HA ALA 18 HA ALA 18 6.086 5.736 26.090 133 1HB ALA 18 HB1 ALA 18 7.297 3.908 24.013 134 2HB ALA 18 HB2 ALA 18 7.263 3.612 25.751 135 3HB ALA 18 HB3 ALA 18 8.187 4.969 25.105 136 H LEU 19 HN LEU 19 7.048 7.600 25.288 137 HA LEU 19 HA LEU 19 5.757 8.784 23.041 138 1HB LEU 19 HB2 LEU 19 8.196 9.716 24.560 139 2HB LEU 19 HB1 LEU 19 7.266 10.687 23.436 140 HG LEU 19 HG LEU 19 6.291 9.607 26.080 141 1HD1 LEU 19 HD11 LEU 19 7.858 11.458 26.300 142 2HD1 LEU 19 HD12 LEU 19 6.223 11.961 26.730 143 3HD1 LEU 19 HD13 LEU 19 6.903 12.414 25.167 144 1HD2 LEU 19 HD21 LEU 19 4.490 9.652 24.440 145 2HD2 LEU 19 HD22 LEU 19 4.881 11.325 24.040 146 3HD2 LEU 19 HD23 LEU 19 4.271 10.921 25.645 147 H GLY 20 HN GLY 20 9.079 7.717 23.627 148 1HA GLY 20 HA2 GLY 20 9.419 7.446 20.716 149 2HA GLY 20 HA1 GLY 20 10.674 8.181 21.707 150 H CYS 21 HN CYS 21 12.272 6.669 21.406 151 HA CYS 21 HA CYS 21 11.744 3.872 21.653 152 1HB CYS 21 HB2 CYS 21 13.591 4.665 20.257 153 2HB CYS 21 HB1 CYS 21 14.381 5.353 21.673 154 HG CYS 21 HG CYS 21 15.902 3.211 21.439 155 H GLU 22 HN GLU 22 11.050 3.170 23.518 156 HA GLU 22 HA GLU 22 11.349 4.089 26.055 157 1HB GLU 22 HB2 GLU 22 9.857 2.279 25.493 158 2HB GLU 22 HB1 GLU 22 11.210 1.234 25.086 159 1HG GLU 22 HG2 GLU 22 11.930 1.404 27.481 160 2HG GLU 22 HG1 GLU 22 10.397 2.220 27.802 161 H GLU 23 HN GLU 23 13.552 1.875 24.378 162 HA GLU 23 HA GLU 23 15.252 1.325 26.537 163 1HB GLU 23 HB2 GLU 23 15.173 0.090 24.350 164 2HB GLU 23 HB1 GLU 23 16.026 1.442 23.617 165 1HG GLU 23 HG2 GLU 23 17.687 -0.121 24.058 166 2HG GLU 23 HG1 GLU 23 17.824 1.041 25.376 167 H CYS 24 HN CYS 24 15.556 3.720 23.930 168 HA CYS 24 HA CYS 24 17.988 4.803 24.859 169 1HB CYS 24 HB2 CYS 24 15.882 6.080 23.106 170 2HB CYS 24 HB1 CYS 24 17.557 6.601 23.260 171 HG CYS 24 HG CYS 24 18.509 5.083 21.427 172 H LEU 25 HN LEU 25 14.632 5.518 25.560 173 HA LEU 25 HA LEU 25 15.011 8.058 26.731 174 1HB LEU 25 HB2 LEU 25 12.843 5.994 27.004 175 2HB LEU 25 HB1 LEU 25 12.784 7.528 27.851 176 HG LEU 25 HG LEU 25 12.945 7.258 24.848 177 1HD1 LEU 25 HD11 LEU 25 10.581 7.901 24.860 178 2HD1 LEU 25 HD12 LEU 25 10.569 7.810 26.621 179 3HD1 LEU 25 HD13 LEU 25 10.842 6.353 25.665 180 1HD2 LEU 25 HD21 LEU 25 12.328 9.626 24.871 181 2HD2 LEU 25 HD22 LEU 25 13.854 9.351 25.709 182 3HD2 LEU 25 HD23 LEU 25 12.377 9.623 26.634 183 H LYS 26 HN LYS 26 15.674 4.891 27.948 184 HA LYS 26 HA LYS 26 15.247 5.512 30.704 185 1HB LYS 26 HB2 LYS 26 16.060 3.363 31.197 186 2HB LYS 26 HB1 LYS 26 15.256 3.190 29.644 187 1HG LYS 26 HG2 LYS 26 17.552 3.472 28.595 188 2HG LYS 26 HG1 LYS 26 18.197 3.248 30.222 189 1HD LYS 26 HD2 LYS 26 16.429 1.303 28.745 190 2HD LYS 26 HD1 LYS 26 18.173 1.151 28.959 191 1HE LYS 26 HE2 LYS 26 17.906 0.960 31.350 192 2HE LYS 26 HE1 LYS 26 16.175 1.269 31.218 193 1HZ LYS 26 HZ1 LYS 26 17.584 -1.073 30.049 194 2HZ LYS 26 HZ2 LYS 26 15.913 -0.784 30.004 195 3HZ LYS 26 HZ3 LYS 26 16.682 -1.094 31.485 196 H ILE 27 HN ILE 27 17.857 6.041 28.503 197 HA ILE 27 HA ILE 27 19.556 6.878 30.768 198 HB ILE 27 HB ILE 27 21.532 6.381 29.303 199 1HG1 ILE 27 HG12 ILE 27 19.481 4.860 27.676 200 2HG1 ILE 27 HG11 ILE 27 20.299 6.330 27.158 201 1HG2 ILE 27 HG21 ILE 27 20.851 4.913 31.135 202 2HG2 ILE 27 HG22 ILE 27 21.544 4.002 29.794 203 3HG2 ILE 27 HG23 ILE 27 19.797 4.028 30.032 204 1HD1 ILE 27 HD11 ILE 27 21.619 3.690 27.746 205 2HD1 ILE 27 HD12 ILE 27 22.439 5.162 27.225 206 3HD1 ILE 27 HD13 ILE 27 21.294 4.362 26.148 207 H GLY 28 HN GLY 28 17.907 7.887 28.035 208 1HA GLY 28 HA2 GLY 28 17.816 10.022 27.107 209 2HA GLY 28 HA1 GLY 28 19.241 10.459 28.045 210 H SER 29 HN SER 29 18.546 7.965 25.632 211 HA SER 29 HA SER 29 21.017 8.718 24.233 212 1HB SER 29 HB2 SER 29 20.799 6.375 25.113 213 2HB SER 29 HB1 SER 29 19.426 6.144 24.036 214 HG SER 29 HG SER 29 22.093 6.767 23.255 215 HA PRO 30 HA PRO 30 18.502 10.180 20.865 216 1HB PRO 30 HB2 PRO 30 20.343 10.141 18.883 217 2HB PRO 30 HB1 PRO 30 20.370 11.340 20.182 218 1HG PRO 30 HG2 PRO 30 21.976 8.833 19.886 219 2HG PRO 30 HG1 PRO 30 22.500 10.441 20.417 220 1HD PRO 30 HD2 PRO 30 21.967 8.413 22.145 221 2HD PRO 30 HD1 PRO 30 21.728 10.122 22.558 222 H TRP 31 HN TRP 31 17.659 9.522 18.797 223 HA TRP 31 HA TRP 31 18.239 6.816 17.907 224 1HB TRP 31 HB2 TRP 31 15.812 6.249 17.809 225 2HB TRP 31 HB1 TRP 31 16.416 6.422 19.451 226 HD1 TRP 31 HD1 TRP 31 14.428 8.521 16.852 227 HE1 TRP 31 HE1 TRP 31 12.786 10.023 18.144 228 HE3 TRP 31 HE3 TRP 31 15.800 7.311 21.626 229 HZ2 TRP 31 HZ2 TRP 31 12.146 10.603 20.824 230 HZ3 TRP 31 HZ3 TRP 31 14.616 8.381 23.497 231 HH2 TRP 31 HH2 TRP 31 12.827 9.994 23.103 232 H VAL 32 HN VAL 32 17.196 6.369 15.786 233 HA VAL 32 HA VAL 32 17.248 8.772 14.153 234 HB VAL 32 HB VAL 32 16.990 5.882 13.294 235 1HG1 VAL 32 HG11 VAL 32 17.657 8.356 11.704 236 2HG1 VAL 32 HG12 VAL 32 16.152 7.440 11.617 237 3HG1 VAL 32 HG13 VAL 32 17.666 6.702 11.090 238 1HG2 VAL 32 HG21 VAL 32 19.091 6.277 14.453 239 2HG2 VAL 32 HG22 VAL 32 19.415 7.670 13.422 240 3HG2 VAL 32 HG23 VAL 32 19.370 6.050 12.726 241 H HIS 33 HN HIS 33 15.117 5.899 14.089 242 HA HIS 33 HA HIS 33 12.799 7.674 14.226 243 1HB HIS 33 HB2 HIS 33 13.160 5.561 12.084 244 2HB HIS 33 HB1 HIS 33 11.650 6.402 12.412 245 HD1 HIS 33 HD1 HIS 33 11.720 9.087 11.966 246 HD2 HIS 33 HD2 HIS 33 14.828 6.835 10.346 247 HE1 HIS 33 HE1 HIS 33 12.828 10.568 10.268 248 HE2 HIS 33 HE2 HIS 33 14.755 9.226 9.356 249 H LEU 34 HN LEU 34 10.745 6.301 14.515 250 HA LEU 34 HA LEU 34 11.429 4.208 16.463 251 1HB LEU 34 HB2 LEU 34 9.085 6.109 16.439 252 2HB LEU 34 HB1 LEU 34 9.264 4.780 17.565 253 HG LEU 34 HG LEU 34 9.941 6.640 18.784 254 1HD1 LEU 34 HD11 LEU 34 11.539 4.831 18.986 255 2HD1 LEU 34 HD12 LEU 34 12.347 6.393 19.126 256 3HD1 LEU 34 HD13 LEU 34 12.463 5.472 17.626 257 1HD2 LEU 34 HD21 LEU 34 11.532 7.554 16.394 258 2HD2 LEU 34 HD22 LEU 34 11.470 8.363 17.960 259 3HD2 LEU 34 HD23 LEU 34 10.016 8.248 16.969 260 H ARG 35 HN ARG 35 10.225 2.371 16.602 261 HA ARG 35 HA ARG 35 8.271 1.860 14.451 262 1HB ARG 35 HB2 ARG 35 10.365 -0.023 15.564 263 2HB ARG 35 HB1 ARG 35 9.078 -0.502 14.469 264 1HG ARG 35 HG2 ARG 35 9.980 0.861 12.717 265 2HG ARG 35 HG1 ARG 35 11.189 1.538 13.813 266 1HD ARG 35 HD2 ARG 35 12.223 -0.626 14.073 267 2HD ARG 35 HD1 ARG 35 10.965 -1.382 13.102 268 HE ARG 35 HE ARG 35 12.191 0.627 11.578 269 1HH1 ARG 35 HH11 ARG 35 12.849 -2.555 12.894 270 2HH1 ARG 35 HH12 ARG 35 14.100 -2.905 11.735 271 1HH2 ARG 35 HH21 ARG 35 13.795 0.135 10.023 272 2HH2 ARG 35 HH22 ARG 35 14.625 -1.396 10.111 273 H ILE 36 HN ILE 36 6.386 0.966 15.113 274 HA ILE 36 HA ILE 36 6.241 -0.076 17.872 275 HB ILE 36 HB ILE 36 5.158 2.127 17.764 276 1HG1 ILE 36 HG12 ILE 36 3.157 -0.135 17.970 277 2HG1 ILE 36 HG11 ILE 36 4.225 0.409 19.261 278 1HG2 ILE 36 HG21 ILE 36 3.392 0.905 15.646 279 2HG2 ILE 36 HG22 ILE 36 4.595 2.170 15.398 280 3HG2 ILE 36 HG23 ILE 36 3.168 2.492 16.383 281 1HD1 ILE 36 HD11 ILE 36 2.023 2.011 17.981 282 2HD1 ILE 36 HD12 ILE 36 3.106 2.586 19.249 283 3HD1 ILE 36 HD13 ILE 36 1.986 1.263 19.578 284 H CYS 37 HN CYS 37 5.172 -2.029 18.097 285 HA CYS 37 HA CYS 37 4.602 -3.597 15.804 286 1HB CYS 37 HB2 CYS 37 3.577 -3.962 18.619 287 2HB CYS 37 HB1 CYS 37 3.443 -5.147 17.335 288 H ARG 38 HN ARG 38 2.667 -4.079 14.791 289 HA ARG 38 HA ARG 38 0.337 -2.499 15.517 290 1HB ARG 38 HB2 ARG 38 0.867 -4.493 13.315 291 2HB ARG 38 HB1 ARG 38 -0.713 -3.769 13.587 292 1HG ARG 38 HG2 ARG 38 1.830 -2.317 12.892 293 2HG ARG 38 HG1 ARG 38 0.438 -2.586 11.838 294 1HD ARG 38 HD2 ARG 38 0.577 -0.891 14.322 295 2HD ARG 38 HD1 ARG 38 0.280 -0.359 12.667 296 HE ARG 38 HE ARG 38 -1.642 -2.180 13.922 297 1HH1 ARG 38 HH11 ARG 38 -0.844 1.016 12.730 298 2HH1 ARG 38 HH12 ARG 38 -2.504 1.553 12.741 299 1HH2 ARG 38 HH21 ARG 38 -3.810 -1.451 13.967 300 2HH2 ARG 38 HH22 ARG 38 -4.172 0.169 13.455 301 H THR 39 HN THR 39 1.717 -5.008 16.847 302 HA THR 39 HA THR 39 -0.670 -6.630 17.273 303 HB THR 39 HB THR 39 1.982 -7.336 18.448 304 HG1 THR 39 HG1 THR 39 1.709 -8.368 15.942 305 1HG2 THR 39 HG21 THR 39 0.063 -8.757 18.892 306 2HG2 THR 39 HG22 THR 39 1.224 -9.609 17.874 307 3HG2 THR 39 HG23 THR 39 -0.239 -8.927 17.162 308 H CYS 40 HN CYS 40 2.053 -5.547 19.342 309 HA CYS 40 HA CYS 40 0.213 -5.617 21.601 310 1HB CYS 40 HB2 CYS 40 2.099 -5.845 23.034 311 2HB CYS 40 HB1 CYS 40 2.380 -6.901 21.662 312 H GLY 41 HN GLY 41 2.295 -3.346 19.880 313 1HA GLY 41 HA2 GLY 41 1.841 -1.026 19.815 314 2HA GLY 41 HA1 GLY 41 0.955 -1.186 21.322 315 H HIS 42 HN HIS 42 3.934 -2.777 21.462 316 HA HIS 42 HA HIS 42 4.996 -0.764 23.241 317 1HB HIS 42 HB2 HIS 42 5.148 -3.367 23.474 318 2HB HIS 42 HB1 HIS 42 6.508 -3.214 22.369 319 HD1 HIS 42 HD1 HIS 42 5.612 -3.017 25.891 320 HD2 HIS 42 HD2 HIS 42 8.661 -1.541 23.468 321 HE1 HIS 42 HE1 HIS 42 7.458 -2.335 27.457 322 HE2 HIS 42 HE2 HIS 42 9.274 -1.392 25.986 323 H VAL 43 HN VAL 43 6.562 0.678 22.761 324 HA VAL 43 HA VAL 43 7.225 0.955 19.943 325 HB VAL 43 HB VAL 43 7.813 2.888 22.189 326 1HG1 VAL 43 HG11 VAL 43 9.106 3.262 20.155 327 2HG1 VAL 43 HG12 VAL 43 7.931 4.553 20.408 328 3HG1 VAL 43 HG13 VAL 43 7.617 3.299 19.208 329 1HG2 VAL 43 HG21 VAL 43 5.399 2.793 20.378 330 2HG2 VAL 43 HG22 VAL 43 5.771 4.072 21.536 331 3HG2 VAL 43 HG23 VAL 43 5.414 2.442 22.106 332 H GLY 44 HN GLY 44 9.273 1.054 19.107 333 1HA GLY 44 HA2 GLY 44 11.583 0.969 20.893 334 2HA GLY 44 HA1 GLY 44 11.374 -0.400 19.807 335 H CYS 45 HN CYS 45 13.664 1.006 19.511 336 HA CYS 45 HA CYS 45 13.265 2.983 17.417 337 1HB CYS 45 HB2 CYS 45 15.674 3.310 17.517 338 2HB CYS 45 HB1 CYS 45 15.009 3.339 19.147 339 HG CYS 45 HG CYS 45 17.051 1.061 17.704 340 H CYS 46 HN CYS 46 14.217 2.773 15.323 341 HA CYS 46 HA CYS 46 13.900 0.319 14.033 342 1HB CYS 46 HB2 CYS 46 15.607 2.676 13.202 343 2HB CYS 46 HB1 CYS 46 15.077 1.375 12.142 344 HG CYS 46 HG CYS 46 13.530 3.557 11.498 345 H ASP 47 HN ASP 47 15.573 -0.991 12.945 346 HA ASP 47 HA ASP 47 17.638 -1.694 14.809 347 1HB ASP 47 HB2 ASP 47 18.184 -3.507 13.275 348 2HB ASP 47 HB1 ASP 47 16.446 -3.432 13.535 349 H ASP 48 HN ASP 48 17.436 0.606 12.421 350 HA ASP 48 HA ASP 48 20.076 0.639 11.431 351 1HB ASP 48 HB2 ASP 48 18.282 2.008 10.443 352 2HB ASP 48 HB1 ASP 48 18.203 2.968 11.917 353 H SER 49 HN SER 49 18.554 2.156 14.235 354 HA SER 49 HA SER 49 20.949 3.308 15.250 355 1HB SER 49 HB2 SER 49 18.379 2.648 16.716 356 2HB SER 49 HB1 SER 49 19.625 3.782 17.241 357 HG SER 49 HG SER 49 19.086 4.680 14.946 358 HA PRO 50 HA PRO 50 23.201 -0.196 16.598 359 1HB PRO 50 HB2 PRO 50 23.631 1.523 19.009 360 2HB PRO 50 HB1 PRO 50 24.804 0.595 18.066 361 1HG PRO 50 HG2 PRO 50 24.573 3.222 17.725 362 2HG PRO 50 HG1 PRO 50 24.847 2.145 16.344 363 1HD PRO 50 HD2 PRO 50 22.387 3.593 17.151 364 2HD PRO 50 HD1 PRO 50 22.925 3.084 15.539 365 H HIS 51 HN HIS 51 21.106 1.308 19.061 366 HA HIS 51 HA HIS 51 21.042 -0.782 20.901 367 1HB HIS 51 HB2 HIS 51 19.404 1.569 20.313 368 2HB HIS 51 HB1 HIS 51 18.484 0.247 21.020 369 HD1 HIS 51 HD1 HIS 51 19.789 3.166 22.182 370 HD2 HIS 51 HD2 HIS 51 20.486 -0.778 23.314 371 HE1 HIS 51 HE1 HIS 51 20.525 3.267 24.591 372 HE2 HIS 51 HE2 HIS 51 20.938 0.870 25.260 373 H LYS 52 HN LYS 52 19.097 -0.272 18.013 374 HA LYS 52 HA LYS 52 17.507 -1.505 16.951 375 1HB LYS 52 HB2 LYS 52 19.222 -3.841 17.799 376 2HB LYS 52 HB1 LYS 52 18.187 -3.739 16.381 377 1HG LYS 52 HG2 LYS 52 19.683 -1.802 15.652 378 2HG LYS 52 HG1 LYS 52 20.799 -2.367 16.895 379 1HD LYS 52 HD2 LYS 52 19.792 -3.914 14.514 380 2HD LYS 52 HD1 LYS 52 21.429 -3.315 14.775 381 1HE LYS 52 HE2 LYS 52 21.641 -4.798 16.723 382 2HE LYS 52 HE1 LYS 52 20.015 -5.411 16.420 383 1HZ LYS 52 HZ1 LYS 52 21.416 -6.958 15.422 384 2HZ LYS 52 HZ2 LYS 52 22.453 -5.776 14.792 385 3HZ LYS 52 HZ3 LYS 52 20.912 -5.993 14.119 386 H HIS 53 HN HIS 53 16.368 -0.861 19.215 387 HA HIS 53 HA HIS 53 15.834 -3.001 21.006 388 1HB HIS 53 HB2 HIS 53 15.685 -0.524 21.537 389 2HB HIS 53 HB1 HIS 53 14.149 -0.517 20.678 390 HD1 HIS 53 HD1 HIS 53 12.274 -0.582 22.312 391 HD2 HIS 53 HD2 HIS 53 15.518 -2.845 23.583 392 HE1 HIS 53 HE1 HIS 53 11.597 -1.547 24.529 393 HE2 HIS 53 HE2 HIS 53 13.644 -2.764 25.360 394 H ALA 54 HN ALA 54 14.324 -1.916 18.060 395 HA ALA 54 HA ALA 54 11.802 -3.155 18.478 396 1HB ALA 54 HB1 ALA 54 12.141 -1.350 16.850 397 2HB ALA 54 HB2 ALA 54 11.411 -2.779 16.118 398 3HB ALA 54 HB3 ALA 54 13.122 -2.436 15.866 399 H THR 55 HN THR 55 14.791 -4.217 16.887 400 HA THR 55 HA THR 55 13.666 -6.654 15.933 401 HB THR 55 HB THR 55 16.175 -7.275 15.702 402 HG1 THR 55 HG1 THR 55 17.515 -5.840 16.461 403 1HG2 THR 55 HG21 THR 55 15.017 -4.905 14.228 404 2HG2 THR 55 HG22 THR 55 14.757 -6.603 13.828 405 3HG2 THR 55 HG23 THR 55 16.367 -5.898 13.679 406 H ARG 56 HN ARG 56 15.649 -5.775 18.749 407 HA ARG 56 HA ARG 56 15.964 -8.333 19.833 408 1HB ARG 56 HB2 ARG 56 15.602 -5.706 21.292 409 2HB ARG 56 HB1 ARG 56 16.153 -7.197 22.038 410 1HG ARG 56 HG2 ARG 56 18.107 -7.168 20.489 411 2HG ARG 56 HG1 ARG 56 17.578 -5.573 19.942 412 1HD ARG 56 HD2 ARG 56 17.694 -4.785 22.288 413 2HD ARG 56 HD1 ARG 56 18.338 -6.356 22.754 414 HE ARG 56 HE ARG 56 19.722 -4.484 20.935 415 1HH1 ARG 56 HH11 ARG 56 19.753 -6.934 23.440 416 2HH1 ARG 56 HH12 ARG 56 21.471 -6.832 23.702 417 1HH2 ARG 56 HH21 ARG 56 21.992 -4.324 21.304 418 2HH2 ARG 56 HH22 ARG 56 22.739 -5.361 22.490 419 H HIS 57 HN HIS 57 13.394 -5.948 20.320 420 HA HIS 57 HA HIS 57 11.808 -7.515 22.036 421 1HB HIS 57 HB2 HIS 57 11.437 -5.159 21.976 422 2HB HIS 57 HB1 HIS 57 11.163 -5.177 20.238 423 HD1 HIS 57 HD1 HIS 57 9.424 -5.749 23.507 424 HD2 HIS 57 HD2 HIS 57 8.658 -6.069 19.428 425 HE1 HIS 57 HE1 HIS 57 6.915 -6.053 23.262 426 H PHE 58 HN PHE 58 11.923 -7.236 18.514 427 HA PHE 58 HA PHE 58 9.645 -8.727 17.885 428 1HB PHE 58 HB2 PHE 58 10.710 -7.591 16.102 429 2HB PHE 58 HB1 PHE 58 12.266 -8.334 16.447 430 HD1 PHE 58 HD1 PHE 58 8.892 -9.880 15.998 431 HD2 PHE 58 HD2 PHE 58 12.866 -9.483 14.554 432 HE1 PHE 58 HE1 PHE 58 8.454 -11.621 14.317 433 HE2 PHE 58 HE2 PHE 58 12.441 -11.222 12.872 434 HZ PHE 58 HZ PHE 58 10.230 -12.296 12.751 435 H HIS 59 HN HIS 59 12.977 -9.806 18.486 436 HA HIS 59 HA HIS 59 12.383 -12.563 18.097 437 1HB HIS 59 HB2 HIS 59 14.686 -11.106 19.369 438 2HB HIS 59 HB1 HIS 59 14.582 -12.863 19.412 439 HD1 HIS 59 HD1 HIS 59 15.044 -14.133 17.247 440 HD2 HIS 59 HD2 HIS 59 15.188 -10.000 16.814 441 HE1 HIS 59 HE1 HIS 59 16.065 -13.723 14.980 442 HE2 HIS 59 HE2 HIS 59 16.256 -11.212 14.790 443 H ALA 60 HN ALA 60 12.090 -10.400 20.780 444 HA ALA 60 HA ALA 60 12.002 -12.410 22.808 445 1HB ALA 60 HB1 ALA 60 11.099 -9.536 22.889 446 2HB ALA 60 HB2 ALA 60 12.707 -10.133 23.303 447 3HB ALA 60 HB3 ALA 60 11.315 -10.592 24.284 448 H THR 61 HN THR 61 9.511 -10.510 21.107 449 HA THR 61 HA THR 61 7.467 -12.068 22.548 450 HB THR 61 HB THR 61 5.912 -10.197 21.808 451 HG1 THR 61 HG1 THR 61 8.439 -9.031 21.184 452 1HG2 THR 61 HG21 THR 61 6.736 -10.391 24.103 453 2HG2 THR 61 HG22 THR 61 6.622 -8.701 23.613 454 3HG2 THR 61 HG23 THR 61 8.194 -9.501 23.661 455 H GLY 62 HN GLY 62 8.906 -11.884 19.543 456 1HA GLY 62 HA2 GLY 62 8.371 -12.778 17.500 457 2HA GLY 62 HA1 GLY 62 7.095 -13.662 18.324 458 H HIS 63 HN HIS 63 7.696 -10.222 17.591 459 HA HIS 63 HA HIS 63 5.000 -10.133 16.403 460 1HB HIS 63 HB2 HIS 63 6.435 -7.966 17.957 461 2HB HIS 63 HB1 HIS 63 4.945 -7.710 17.055 462 HD2 HIS 63 HD2 HIS 63 3.709 -10.688 18.182 463 HE1 HIS 63 HE1 HIS 63 3.750 -8.547 21.822 464 HE2 HIS 63 HE2 HIS 63 3.044 -10.696 20.687 465 HA PRO 64 HA PRO 64 7.989 -9.332 13.099 466 1HB PRO 64 HB2 PRO 64 6.568 -10.427 11.099 467 2HB PRO 64 HB1 PRO 64 7.401 -11.417 12.305 468 1HG PRO 64 HG2 PRO 64 4.507 -10.668 12.140 469 2HG PRO 64 HG1 PRO 64 5.235 -12.238 12.525 470 1HD PRO 64 HD2 PRO 64 4.289 -10.497 14.410 471 2HD PRO 64 HD1 PRO 64 5.580 -11.674 14.717 472 H ILE 65 HN ILE 65 4.757 -8.143 13.430 473 HA ILE 65 HA ILE 65 5.140 -6.435 11.075 474 HB ILE 65 HB ILE 65 2.582 -7.099 12.530 475 1HG1 ILE 65 HG12 ILE 65 3.596 -7.781 9.760 476 2HG1 ILE 65 HG11 ILE 65 3.452 -8.902 11.109 477 1HG2 ILE 65 HG21 ILE 65 2.509 -4.800 11.755 478 2HG2 ILE 65 HG22 ILE 65 1.475 -5.804 10.738 479 3HG2 ILE 65 HG23 ILE 65 3.059 -5.295 10.154 480 1HD1 ILE 65 HD11 ILE 65 1.637 -9.180 9.528 481 2HD1 ILE 65 HD12 ILE 65 1.180 -7.489 9.732 482 3HD1 ILE 65 HD13 ILE 65 1.031 -8.613 11.083 483 H ILE 66 HN ILE 66 5.741 -4.496 11.350 484 HA ILE 66 HA ILE 66 5.054 -3.055 13.827 485 HB ILE 66 HB ILE 66 7.158 -1.738 13.415 486 1HG1 ILE 66 HG12 ILE 66 7.788 -4.024 11.534 487 2HG1 ILE 66 HG11 ILE 66 7.357 -2.399 11.017 488 1HG2 ILE 66 HG21 ILE 66 8.653 -3.440 14.361 489 2HG2 ILE 66 HG22 ILE 66 7.483 -4.691 13.941 490 3HG2 ILE 66 HG23 ILE 66 7.066 -3.458 15.131 491 1HD1 ILE 66 HD11 ILE 66 9.348 -1.520 12.082 492 2HD1 ILE 66 HD12 ILE 66 9.752 -2.780 10.916 493 3HD1 ILE 66 HD13 ILE 66 9.773 -3.137 12.644 494 H GLU 67 HN GLU 67 5.106 -0.660 13.494 495 HA GLU 67 HA GLU 67 4.490 0.169 10.750 496 1HB GLU 67 HB2 GLU 67 2.357 -0.156 11.919 497 2HB GLU 67 HB1 GLU 67 2.902 0.880 13.228 498 1HG GLU 67 HG2 GLU 67 2.885 2.800 11.801 499 2HG GLU 67 HG1 GLU 67 2.551 1.802 10.387 500 H GLY 68 HN GLY 68 4.982 2.370 10.319 501 1HA GLY 68 HA2 GLY 68 7.243 3.384 11.706 502 2HA GLY 68 HA1 GLY 68 6.333 4.228 10.463 503 H TYR 69 HN TYR 69 6.986 3.952 13.782 504 HA TYR 69 HA TYR 69 4.600 5.263 14.716 505 1HB TYR 69 HB2 TYR 69 5.830 3.573 16.059 506 2HB TYR 69 HB1 TYR 69 7.189 4.685 16.172 507 HD1 TYR 69 HD1 TYR 69 7.367 5.889 18.124 508 HD2 TYR 69 HD2 TYR 69 3.504 4.708 16.795 509 HE1 TYR 69 HE1 TYR 69 6.375 6.888 20.139 510 HE2 TYR 69 HE2 TYR 69 2.504 5.701 18.805 511 HH TYR 69 HH TYR 69 4.467 7.488 21.145 512 H ASP 70 HN ASP 70 7.853 6.156 13.871 513 HA ASP 70 HA ASP 70 7.666 8.793 14.995 514 1HB ASP 70 HB2 ASP 70 9.840 7.773 14.931 515 2HB ASP 70 HB1 ASP 70 9.737 7.526 13.195 516 HA PRO 71 HA PRO 71 7.013 10.148 10.455 517 1HB PRO 71 HB2 PRO 71 6.494 7.841 8.788 518 2HB PRO 71 HB1 PRO 71 7.781 9.039 8.640 519 1HG PRO 71 HG2 PRO 71 8.222 6.436 9.321 520 2HG PRO 71 HG1 PRO 71 9.272 7.773 9.824 521 1HD PRO 71 HD2 PRO 71 7.117 6.371 11.364 522 2HD PRO 71 HD1 PRO 71 8.727 6.893 11.900 523 HA PRO 72 HA PRO 72 2.646 9.551 11.387 524 1HB PRO 72 HB2 PRO 72 2.242 12.149 10.141 525 2HB PRO 72 HB1 PRO 72 2.072 11.692 11.837 526 1HG PRO 72 HG2 PRO 72 4.047 13.322 10.938 527 2HG PRO 72 HG1 PRO 72 4.238 12.254 12.340 528 1HD PRO 72 HD2 PRO 72 5.177 11.865 9.521 529 2HD PRO 72 HD1 PRO 72 6.019 11.524 11.049 530 H GLU 73 HN GLU 73 3.749 8.455 8.928 531 HA GLU 73 HA GLU 73 1.921 9.300 6.820 532 1HB GLU 73 HB2 GLU 73 4.029 7.133 6.809 533 2HB GLU 73 HB1 GLU 73 3.160 7.739 5.407 534 1HG GLU 73 HG2 GLU 73 4.199 9.923 5.701 535 2HG GLU 73 HG1 GLU 73 5.063 9.323 7.117 536 H GLY 74 HN GLY 74 2.731 6.360 8.631 537 1HA GLY 74 HA2 GLY 74 1.151 4.772 9.389 538 2HA GLY 74 HA1 GLY 74 0.000 5.396 8.215 539 H TRP 75 HN TRP 75 3.151 3.754 8.350 540 HA TRP 75 HA TRP 75 2.142 1.919 6.311 541 1HB TRP 75 HB2 TRP 75 4.481 1.839 5.333 542 2HB TRP 75 HB1 TRP 75 3.559 3.298 5.005 543 HD1 TRP 75 HD1 TRP 75 4.519 5.568 5.873 544 HE1 TRP 75 HE1 TRP 75 6.753 6.261 6.943 545 HE3 TRP 75 HE3 TRP 75 6.339 0.926 7.012 546 HZ2 TRP 75 HZ2 TRP 75 8.988 5.000 8.125 547 HZ3 TRP 75 HZ3 TRP 75 8.532 0.759 8.111 548 HH2 TRP 75 HH2 TRP 75 9.829 2.753 8.656 549 H GLY 76 HN GLY 76 2.934 -0.184 6.432 550 1HA GLY 76 HA2 GLY 76 4.110 -0.789 9.071 551 2HA GLY 76 HA1 GLY 76 2.889 -1.783 8.291 552 H TRP 77 HN TRP 77 5.483 -2.533 9.275 553 HA TRP 77 HA TRP 77 6.655 -3.543 6.768 554 1HB TRP 77 HB2 TRP 77 8.151 -1.867 7.758 555 2HB TRP 77 HB1 TRP 77 8.121 -2.725 9.293 556 HD1 TRP 77 HD1 TRP 77 9.664 -4.881 9.526 557 HE1 TRP 77 HE1 TRP 77 11.607 -5.802 8.098 558 HE3 TRP 77 HE3 TRP 77 8.958 -2.086 5.304 559 HZ2 TRP 77 HZ2 TRP 77 12.687 -5.386 5.532 560 HZ3 TRP 77 HZ3 TRP 77 10.493 -2.407 3.409 561 HH2 TRP 77 HH2 TRP 77 12.319 -4.024 3.522 562 H CYS 78 HN CYS 78 6.927 -5.696 6.682 563 HA CYS 78 HA CYS 78 6.312 -7.228 9.127 564 1HB CYS 78 HB2 CYS 78 4.812 -7.456 7.060 565 2HB CYS 78 HB1 CYS 78 6.166 -8.259 6.291 566 H TYR 79 HN TYR 79 8.218 -7.726 10.060 567 HA TYR 79 HA TYR 79 10.720 -7.651 8.946 568 1HB TYR 79 HB2 TYR 79 9.649 -9.173 11.296 569 2HB TYR 79 HB1 TYR 79 11.336 -9.337 10.826 570 HD1 TYR 79 HD1 TYR 79 12.479 -6.918 10.357 571 HD2 TYR 79 HD2 TYR 79 9.220 -7.669 12.988 572 HE1 TYR 79 HE1 TYR 79 13.061 -4.905 11.642 573 HE2 TYR 79 HE2 TYR 79 9.788 -5.652 14.273 574 HH TYR 79 HH TYR 79 11.712 -4.230 14.697 575 H VAL 80 HN VAL 80 8.805 -10.621 9.399 576 HA VAL 80 HA VAL 80 10.779 -12.305 8.279 577 HB VAL 80 HB VAL 80 8.970 -14.029 8.209 578 1HG1 VAL 80 HG11 VAL 80 10.359 -13.716 10.192 579 2HG1 VAL 80 HG12 VAL 80 8.714 -14.164 10.641 580 3HG1 VAL 80 HG13 VAL 80 9.244 -12.488 10.790 581 1HG2 VAL 80 HG21 VAL 80 7.276 -11.809 9.356 582 2HG2 VAL 80 HG22 VAL 80 6.806 -13.502 9.204 583 3HG2 VAL 80 HG23 VAL 80 7.082 -12.531 7.758 584 H ASP 81 HN ASP 81 8.404 -10.311 6.809 585 HA ASP 81 HA ASP 81 8.440 -11.857 4.317 586 1HB ASP 81 HB2 ASP 81 6.818 -9.435 5.118 587 2HB ASP 81 HB1 ASP 81 6.739 -10.196 3.539 588 H GLU 82 HN GLU 82 9.516 -8.876 5.732 589 HA GLU 82 HA GLU 82 10.991 -7.284 5.093 590 1HB GLU 82 HB2 GLU 82 11.540 -9.132 2.769 591 2HB GLU 82 HB1 GLU 82 12.450 -7.668 3.113 592 1HG GLU 82 HG2 GLU 82 13.105 -8.617 5.287 593 2HG GLU 82 HG1 GLU 82 12.248 -10.102 4.870 594 H VAL 83 HN VAL 83 8.164 -7.470 4.150 595 HA VAL 83 HA VAL 83 8.370 -5.654 1.851 596 HB VAL 83 HB VAL 83 6.042 -6.190 1.314 597 1HG1 VAL 83 HG11 VAL 83 7.810 -7.490 0.270 598 2HG1 VAL 83 HG12 VAL 83 6.379 -8.486 0.540 599 3HG1 VAL 83 HG13 VAL 83 7.775 -8.638 1.608 600 1HG2 VAL 83 HG21 VAL 83 4.870 -8.021 2.436 601 2HG2 VAL 83 HG22 VAL 83 5.227 -6.706 3.557 602 3HG2 VAL 83 HG23 VAL 83 6.203 -8.175 3.581 603 H MET 84 HN MET 84 7.315 -3.721 1.860 604 HA MET 84 HA MET 84 6.246 -2.835 4.460 605 1HB MET 84 HB2 MET 84 8.215 -1.584 3.633 606 2HB MET 84 HB1 MET 84 7.328 -1.175 2.171 607 1HG MET 84 HG2 MET 84 5.668 0.018 3.560 608 2HG MET 84 HG1 MET 84 6.658 -0.322 4.978 609 1HE MET 84 HE1 MET 84 9.595 -0.032 3.724 610 2HE MET 84 HE2 MET 84 9.149 0.633 5.296 611 3HE MET 84 HE3 MET 84 9.952 1.653 4.103 612 H PHE 85 HN PHE 85 4.161 -2.203 4.593 613 HA PHE 85 HA PHE 85 2.680 -1.916 2.076 614 1HB PHE 85 HB2 PHE 85 0.778 -3.169 3.190 615 2HB PHE 85 HB1 PHE 85 2.165 -4.129 2.697 616 HD1 PHE 85 HD1 PHE 85 0.238 -2.853 5.519 617 HD2 PHE 85 HD2 PHE 85 3.639 -5.122 4.341 618 HE1 PHE 85 HE1 PHE 85 0.402 -3.782 7.788 619 HE2 PHE 85 HE2 PHE 85 3.810 -6.052 6.610 620 HZ PHE 85 HZ PHE 85 2.191 -5.383 8.339 621 H ASP 86 HN ASP 86 0.550 -0.907 2.347 622 HA ASP 86 HA ASP 86 0.869 1.456 3.962 623 1HB ASP 86 HB2 ASP 86 0.061 1.803 1.747 624 2HB ASP 86 HB1 ASP 86 -1.212 0.602 1.952 625 H LEU 87 HN LEU 87 -0.007 1.859 5.856 626 HA LEU 87 HA LEU 87 -2.348 0.298 6.725 627 1HB LEU 87 HB2 LEU 87 0.138 0.998 8.270 628 2HB LEU 87 HB1 LEU 87 -1.364 0.588 9.071 629 HG LEU 87 HG LEU 87 0.178 -1.229 7.217 630 1HD1 LEU 87 HD11 LEU 87 0.650 -2.497 9.265 631 2HD1 LEU 87 HD12 LEU 87 -0.149 -1.246 10.216 632 3HD1 LEU 87 HD13 LEU 87 1.329 -0.871 9.330 633 1HD2 LEU 87 HD21 LEU 87 -2.223 -1.637 7.127 634 2HD2 LEU 87 HD22 LEU 87 -2.287 -1.720 8.888 635 3HD2 LEU 87 HD23 LEU 87 -1.401 -2.944 7.979 636 H SER 88 HN SER 88 -1.872 3.065 5.553 637 HA SER 88 HA SER 88 -1.929 4.996 7.585 638 1HB SER 88 HB2 SER 88 -1.377 5.290 5.098 639 2HB SER 88 HB1 SER 88 -3.118 5.413 4.847 640 HG SER 88 HG SER 88 -1.499 7.078 6.495 641 H ASP 89 HN ASP 89 -4.484 3.047 6.259 642 HA ASP 89 HA ASP 89 -6.616 4.758 7.190 643 1HB ASP 89 HB2 ASP 89 -6.635 1.893 6.225 644 2HB ASP 89 HB1 ASP 89 -8.080 2.797 6.659 645 H ARG 90 HN ARG 90 -4.490 2.657 8.674 646 HA ARG 90 HA ARG 90 -6.321 2.228 10.951 647 1HB ARG 90 HB2 ARG 90 -4.205 0.337 9.899 648 2HB ARG 90 HB1 ARG 90 -5.162 0.082 11.349 649 1HG ARG 90 HG2 ARG 90 -7.137 -0.248 10.109 650 2HG ARG 90 HG1 ARG 90 -6.397 0.372 8.630 651 1HD ARG 90 HD2 ARG 90 -4.955 -1.523 8.470 652 2HD ARG 90 HD1 ARG 90 -5.431 -2.088 10.069 653 HE ARG 90 HE ARG 90 -7.741 -2.313 8.980 654 1HH1 ARG 90 HH11 ARG 90 -4.727 -2.708 7.232 655 2HH1 ARG 90 HH12 ARG 90 -5.343 -3.937 6.172 656 1HH2 ARG 90 HH21 ARG 90 -8.571 -3.911 7.570 657 2HH2 ARG 90 HH22 ARG 90 -7.534 -4.617 6.361 658 H MET 91 HN MET 91 -3.886 4.029 10.046 659 HA MET 91 HA MET 91 -1.563 3.236 11.297 660 1HB MET 91 HB2 MET 91 -0.768 5.514 11.029 661 2HB MET 91 HB1 MET 91 -1.654 4.996 9.602 662 1HG MET 91 HG2 MET 91 -3.563 6.289 10.243 663 2HG MET 91 HG1 MET 91 -2.827 6.687 11.794 664 1HE MET 91 HE1 MET 91 0.195 7.222 10.944 665 2HE MET 91 HE2 MET 91 -0.707 8.236 12.070 666 3HE MET 91 HE3 MET 91 0.159 8.972 10.722 667 H THR 92 HN THR 92 -0.581 3.530 13.189 668 HA THR 92 HA THR 92 -2.178 4.637 15.391 669 HB THR 92 HB THR 92 0.345 2.967 15.529 670 HG1 THR 92 HG1 THR 92 -1.341 1.736 14.676 671 1HG2 THR 92 HG21 THR 92 -0.042 4.341 17.519 672 2HG2 THR 92 HG22 THR 92 -0.288 2.631 17.872 673 3HG2 THR 92 HG23 THR 92 -1.678 3.695 17.654 674 HA PRO 93 HA PRO 93 0.706 8.111 14.757 675 1HB PRO 93 HB2 PRO 93 -1.234 9.526 16.446 676 2HB PRO 93 HB1 PRO 93 -0.707 9.895 14.802 677 1HG PRO 93 HG2 PRO 93 -3.178 8.973 15.330 678 2HG PRO 93 HG1 PRO 93 -2.312 8.548 13.842 679 1HD PRO 93 HD2 PRO 93 -2.670 6.944 16.351 680 2HD PRO 93 HD1 PRO 93 -2.778 6.421 14.655 681 H HIS 94 HN HIS 94 2.015 9.329 16.254 682 HA HIS 94 HA HIS 94 2.510 7.842 18.654 683 1HB HIS 94 HB2 HIS 94 4.228 9.773 19.053 684 2HB HIS 94 HB1 HIS 94 4.531 8.546 17.835 685 HD1 HIS 94 HD1 HIS 94 4.859 9.314 15.479 686 HD2 HIS 94 HD2 HIS 94 3.478 12.339 17.979 687 HE1 HIS 94 HE1 HIS 94 5.071 11.440 14.150 688 HE2 HIS 94 HE2 HIS 94 4.388 13.270 15.739 689 H ASN 95 HN ASN 95 2.185 8.373 20.717 690 HA ASN 95 HA ASN 95 -0.181 9.907 21.146 691 1HB ASN 95 HB2 ASN 95 -0.032 9.113 23.450 692 2HB ASN 95 HB1 ASN 95 0.234 7.795 22.317 693 1HD2 ASN 95 HD21 ASN 95 0.980 7.799 25.033 694 2HD2 ASN 95 HD22 ASN 95 2.705 7.683 25.103 695 H GLY 96 HN GLY 96 3.133 10.674 21.289 696 1HA GLY 96 HA2 GLY 96 2.420 13.302 22.345 697 2HA GLY 96 HA1 GLY 96 3.691 12.413 23.173 698 HA PRO 97 HA PRO 97 5.354 14.861 19.432 699 1HB PRO 97 HB2 PRO 97 6.668 16.779 20.884 700 2HB PRO 97 HB1 PRO 97 5.055 16.998 20.197 701 1HG PRO 97 HG2 PRO 97 5.850 16.298 22.991 702 2HG PRO 97 HG1 PRO 97 4.572 17.391 22.428 703 1HD PRO 97 HD2 PRO 97 4.054 14.890 23.308 704 2HD PRO 97 HD1 PRO 97 3.096 15.665 22.031 705 H ILE 98 HN ILE 98 6.965 13.571 18.835 706 HA ILE 98 HA ILE 98 8.783 12.433 20.763 707 HB ILE 98 HB ILE 98 8.742 12.153 17.752 708 1HG1 ILE 98 HG12 ILE 98 7.624 10.391 19.943 709 2HG1 ILE 98 HG11 ILE 98 6.696 11.300 18.757 710 1HG2 ILE 98 HG21 ILE 98 10.223 10.572 19.851 711 2HG2 ILE 98 HG22 ILE 98 10.935 11.648 18.648 712 3HG2 ILE 98 HG23 ILE 98 10.137 10.161 18.138 713 1HD1 ILE 98 HD11 ILE 98 7.646 9.909 16.976 714 2HD1 ILE 98 HD12 ILE 98 6.764 8.961 18.173 715 3HD1 ILE 98 HD13 ILE 98 8.528 8.981 18.192 716 HA PRO 99 HA PRO 99 11.959 15.586 20.471 717 1HB PRO 99 HB2 PRO 99 13.640 13.237 21.207 718 2HB PRO 99 HB1 PRO 99 13.572 14.845 21.937 719 1HG PRO 99 HG2 PRO 99 12.446 12.757 23.146 720 2HG PRO 99 HG1 PRO 99 11.668 14.351 23.168 721 1HD PRO 99 HD2 PRO 99 10.993 11.931 21.556 722 2HD PRO 99 HD1 PRO 99 9.917 13.148 22.272 723 H ARG 100 HN ARG 100 12.890 16.204 18.656 724 HA ARG 100 HA ARG 100 13.412 14.238 16.564 725 1HB ARG 100 HB2 ARG 100 12.097 16.361 16.162 726 2HB ARG 100 HB1 ARG 100 13.588 17.253 16.415 727 1HG ARG 100 HG2 ARG 100 13.399 17.104 14.104 728 2HG ARG 100 HG1 ARG 100 14.545 15.826 14.517 729 1HD ARG 100 HD2 ARG 100 11.698 15.055 14.478 730 2HD ARG 100 HD1 ARG 100 12.404 15.471 12.919 731 HE ARG 100 HE ARG 100 14.176 13.758 13.540 732 1HH1 ARG 100 HH11 ARG 100 10.860 13.559 14.673 733 2HH1 ARG 100 HH12 ARG 100 10.842 11.818 14.718 734 1HH2 ARG 100 HH21 ARG 100 14.147 11.474 13.612 735 2HH2 ARG 100 HH22 ARG 100 12.709 10.647 14.120 736 H TYR 101 HN TYR 101 15.349 13.283 17.077 737 HA TYR 101 HA TYR 101 17.630 14.888 17.814 738 1HB TYR 101 HB2 TYR 101 17.341 11.939 17.219 739 2HB TYR 101 HB1 TYR 101 18.866 12.696 17.666 740 HD1 TYR 101 HD1 TYR 101 19.065 13.784 19.925 741 HD2 TYR 101 HD2 TYR 101 15.760 11.327 18.865 742 HE1 TYR 101 HE1 TYR 101 18.527 13.491 22.307 743 HE2 TYR 101 HE2 TYR 101 15.211 11.031 21.242 744 HH TYR 101 HH TYR 101 16.404 11.136 23.431 745 H VAL 102 HN VAL 102 16.625 12.955 15.031 746 HA VAL 102 HA VAL 102 18.617 14.391 13.424 747 HB VAL 102 HB VAL 102 18.655 12.406 11.903 748 1HG1 VAL 102 HG11 VAL 102 20.116 11.047 13.335 749 2HG1 VAL 102 HG12 VAL 102 19.526 11.919 14.750 750 3HG1 VAL 102 HG13 VAL 102 20.442 12.771 13.508 751 1HG2 VAL 102 HG21 VAL 102 17.172 11.066 14.166 752 2HG2 VAL 102 HG22 VAL 102 17.873 10.247 12.770 753 3HG2 VAL 102 HG23 VAL 102 16.541 11.381 12.549
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