NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
480642 | 2l1p | 17092 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 15.046 -11.345 10.794 2 H2 MET 1 2H MET 1 15.926 -12.788 10.757 3 H3 MET 1 3H MET 1 16.416 -11.469 9.816 4 HA MET 1 HA MET 1 16.934 -10.187 11.751 5 HB2 MET 1 2HB MET 1 16.037 -12.651 13.268 6 HB3 MET 1 1HB MET 1 16.863 -11.279 13.994 7 HG2 MET 1 2HG MET 1 15.010 -9.817 13.346 8 HG3 MET 1 1HG MET 1 14.179 -11.198 12.630 9 HE1 MET 1 3HE MET 1 12.873 -9.244 14.820 10 HE2 MET 1 1HE MET 1 12.059 -10.416 15.856 11 HE3 MET 1 2HE MET 1 12.013 -10.607 14.104 12 H GLY 2 H GLY 2 18.802 -10.930 13.476 13 HA2 GLY 2 2HA GLY 2 20.860 -11.983 13.768 14 HA3 GLY 2 1HA GLY 2 20.515 -13.002 12.379 15 H HIS 3 H HIS 3 21.456 -12.514 10.458 16 HA HIS 3 HA HIS 3 23.379 -10.395 10.319 17 HB2 HIS 3 2HB HIS 3 22.366 -12.398 8.302 18 HB3 HIS 3 1HB HIS 3 23.507 -11.133 7.857 19 HD1 HIS 3 HD1 HIS 3 23.557 -13.266 11.015 20 HD2 HIS 3 HD2 HIS 3 25.819 -12.549 7.600 21 HE1 HIS 3 HE1 HIS 3 25.684 -14.553 11.335 22 HE2 HIS 3 HE2 HIS 3 26.933 -14.276 9.170 23 H HIS 4 H HIS 4 22.853 -8.346 10.071 24 HA HIS 4 HA HIS 4 20.282 -7.427 9.349 25 HB2 HIS 4 2HB HIS 4 21.845 -6.254 10.877 26 HB3 HIS 4 1HB HIS 4 22.884 -5.881 9.511 27 HD1 HIS 4 HD1 HIS 4 22.616 -3.530 8.827 28 HD2 HIS 4 HD2 HIS 4 19.047 -5.124 10.236 29 HE1 HIS 4 HE1 HIS 4 20.956 -1.655 8.716 30 HE2 HIS 4 HE2 HIS 4 18.775 -2.676 9.447 31 H HIS 5 H HIS 5 19.788 -8.242 7.275 32 HA HIS 5 HA HIS 5 21.421 -7.507 4.982 33 HB2 HIS 5 2HB HIS 5 18.730 -8.896 5.082 34 HB3 HIS 5 1HB HIS 5 19.757 -8.745 3.661 35 HD1 HIS 5 HD1 HIS 5 18.889 -11.091 6.158 36 HD2 HIS 5 HD2 HIS 5 22.444 -10.061 4.271 37 HE1 HIS 5 HE1 HIS 5 20.404 -13.058 6.471 38 HE2 HIS 5 HE2 HIS 5 22.455 -12.503 5.126 39 H HIS 6 H HIS 6 20.979 -5.969 3.479 40 HA HIS 6 HA HIS 6 18.549 -4.322 3.841 41 HB2 HIS 6 2HB HIS 6 20.610 -3.085 4.373 42 HB3 HIS 6 1HB HIS 6 21.263 -3.472 2.786 43 HD1 HIS 6 HD1 HIS 6 20.631 -1.940 0.879 44 HD2 HIS 6 HD2 HIS 6 18.385 -1.251 4.306 45 HE1 HIS 6 HE1 HIS 6 19.345 0.165 0.427 46 HE2 HIS 6 HE2 HIS 6 17.885 0.480 2.451 47 H HIS 7 H HIS 7 17.282 -3.910 2.068 48 HA HIS 7 HA HIS 7 17.734 -5.523 -0.292 49 HB2 HIS 7 2HB HIS 7 15.487 -3.627 0.438 50 HB3 HIS 7 1HB HIS 7 15.522 -4.617 -1.019 51 HD1 HIS 7 HD1 HIS 7 14.331 -4.648 2.374 52 HD2 HIS 7 HD2 HIS 7 15.668 -7.512 -0.323 53 HE1 HIS 7 HE1 HIS 7 13.463 -6.838 3.234 54 HE2 HIS 7 HE2 HIS 7 14.062 -8.500 1.443 55 H HIS 8 H HIS 8 18.603 -4.872 -2.152 56 HA HIS 8 HA HIS 8 19.524 -2.174 -2.506 57 HB2 HIS 8 2HB HIS 8 20.678 -4.306 -3.325 58 HB3 HIS 8 1HB HIS 8 19.477 -4.345 -4.611 59 HD1 HIS 8 HD1 HIS 8 19.875 -2.847 -6.604 60 HD2 HIS 8 HD2 HIS 8 22.472 -2.060 -3.461 61 HE1 HIS 8 HE1 HIS 8 21.598 -1.283 -7.533 62 HE2 HIS 8 HE2 HIS 8 23.252 -0.971 -5.671 63 H SER 9 H SER 9 16.684 -3.927 -3.340 64 HA SER 9 HA SER 9 15.760 -2.316 -5.503 65 HB2 SER 9 2HB SER 9 14.173 -3.999 -3.540 66 HB3 SER 9 1HB SER 9 13.562 -3.352 -5.064 67 HG SER 9 HG SER 9 14.481 -5.641 -4.911 68 H HIS 10 H HIS 10 13.701 -0.963 -5.329 69 HA HIS 10 HA HIS 10 13.873 0.744 -2.913 70 HB2 HIS 10 2HB HIS 10 13.498 1.810 -5.716 71 HB3 HIS 10 1HB HIS 10 13.869 2.716 -4.253 72 HD1 HIS 10 HD1 HIS 10 15.431 1.118 -7.114 73 HD2 HIS 10 HD2 HIS 10 16.587 2.154 -3.261 74 HE1 HIS 10 HE1 HIS 10 17.938 1.076 -7.134 75 HE2 HIS 10 HE2 HIS 10 18.612 1.857 -4.841 76 H MET 11 H MET 11 11.960 0.846 -1.901 77 HA MET 11 HA MET 11 9.489 0.214 -3.298 78 HB2 MET 11 2HB MET 11 9.930 0.917 -0.384 79 HB3 MET 11 1HB MET 11 8.448 0.270 -1.079 80 HG2 MET 11 2HG MET 11 9.613 -1.497 0.025 81 HG3 MET 11 1HG MET 11 9.693 -1.776 -1.713 82 HE1 MET 11 3HE MET 11 13.138 -3.217 -0.623 83 HE2 MET 11 1HE MET 11 11.615 -3.511 -1.459 84 HE3 MET 11 2HE MET 11 11.639 -3.338 0.296 85 H LEU 12 H LEU 12 11.189 3.007 -3.010 86 HA LEU 12 HA LEU 12 9.002 4.813 -2.444 87 HB2 LEU 12 2HB LEU 12 11.827 5.373 -3.375 88 HB3 LEU 12 1HB LEU 12 10.644 6.613 -3.002 89 HG LEU 12 HG LEU 12 10.541 5.664 -0.652 90 HD11 LEU 12 1HD1 LEU 12 13.017 4.187 -1.554 91 HD12 LEU 12 2HD1 LEU 12 11.478 3.459 -1.088 92 HD13 LEU 12 3HD1 LEU 12 12.442 4.324 0.108 93 HD21 LEU 12 3HD2 LEU 12 11.765 7.711 -1.203 94 HD22 LEU 12 1HD2 LEU 12 13.199 6.756 -1.581 95 HD23 LEU 12 2HD2 LEU 12 12.573 6.794 0.068 96 HA PRO 13 HA PRO 13 8.931 5.347 -7.156 97 HB2 PRO 13 2HB PRO 13 10.723 4.236 -8.779 98 HB3 PRO 13 1HB PRO 13 11.130 5.691 -7.857 99 HG2 PRO 13 2HG PRO 13 11.882 2.843 -7.334 100 HG3 PRO 13 1HG PRO 13 12.855 4.311 -7.139 101 HD2 PRO 13 2HD PRO 13 11.482 2.976 -5.094 102 HD3 PRO 13 1HD PRO 13 12.098 4.638 -5.011 103 HA PRO 14 HA PRO 14 6.651 1.482 -7.673 104 HB2 PRO 14 2HB PRO 14 5.794 2.676 -10.256 105 HB3 PRO 14 1HB PRO 14 4.819 2.098 -8.899 106 HG2 PRO 14 2HG PRO 14 5.088 4.714 -9.372 107 HG3 PRO 14 1HG PRO 14 5.048 4.082 -7.714 108 HD2 PRO 14 2HD PRO 14 7.416 4.943 -9.356 109 HD3 PRO 14 1HD PRO 14 7.057 5.263 -7.644 110 H GLU 15 H GLU 15 8.884 0.491 -8.041 111 HA GLU 15 HA GLU 15 9.723 0.006 -10.746 112 HB2 GLU 15 2HB GLU 15 10.477 -1.551 -8.251 113 HB3 GLU 15 1HB GLU 15 11.357 -1.513 -9.775 114 HG2 GLU 15 2HG GLU 15 11.743 0.927 -9.414 115 HG3 GLU 15 1HG GLU 15 11.004 0.761 -7.825 116 H GLN 16 H GLN 16 8.281 -2.100 -8.251 117 HA GLN 16 HA GLN 16 6.331 -3.108 -10.070 118 HB2 GLN 16 2HB GLN 16 8.128 -4.537 -10.844 119 HB3 GLN 16 1HB GLN 16 8.520 -5.010 -9.194 120 HG2 GLN 16 2HG GLN 16 6.487 -6.231 -8.971 121 HG3 GLN 16 1HG GLN 16 5.855 -5.576 -10.478 122 HE21 GLN 16 1HE2 GLN 16 5.507 -7.642 -11.287 123 HE22 GLN 16 2HE2 GLN 16 6.805 -8.641 -11.835 124 H TRP 17 H TRP 17 4.543 -3.378 -8.905 125 HA TRP 17 HA TRP 17 4.769 -3.655 -6.002 126 HB2 TRP 17 2HB TRP 17 2.456 -2.928 -7.805 127 HB3 TRP 17 1HB TRP 17 2.273 -3.187 -6.072 128 HD1 TRP 17 HD TRP 17 3.712 -0.701 -8.592 129 HE1 TRP 17 HE1 TRP 17 4.292 1.480 -7.357 130 HE3 TRP 17 HE3 TRP 17 2.987 -2.260 -3.776 131 HZ2 TRP 17 HZ2 TRP 17 4.428 2.420 -4.712 132 HZ3 TRP 17 HZ3 TRP 17 3.373 -0.654 -1.949 133 HH2 TRP 17 HH TRP 17 4.078 1.635 -2.408 134 H SER 18 H SER 18 5.466 -5.880 -6.105 135 HA SER 18 HA SER 18 3.549 -7.905 -6.862 136 HB2 SER 18 2HB SER 18 6.134 -8.124 -5.287 137 HB3 SER 18 1HB SER 18 5.171 -9.492 -5.844 138 HG SER 18 HG SER 18 7.031 -8.756 -7.192 139 H HIS 19 H HIS 19 2.934 -9.618 -5.185 140 HA HIS 19 HA HIS 19 1.201 -8.646 -3.310 141 HB2 HIS 19 2HB HIS 19 1.090 -10.950 -3.934 142 HB3 HIS 19 1HB HIS 19 2.712 -11.262 -3.326 143 HD1 HIS 19 HD1 HIS 19 2.892 -12.078 -0.975 144 HD2 HIS 19 HD2 HIS 19 -0.844 -10.438 -1.780 145 HE1 HIS 19 HE1 HIS 19 1.517 -12.505 1.075 146 HE2 HIS 19 HE2 HIS 19 -0.727 -11.485 0.589 147 H THR 20 H THR 20 4.550 -9.697 -2.610 148 HA THR 20 HA THR 20 4.606 -9.066 0.115 149 HB THR 20 HB THR 20 6.931 -8.878 -1.826 150 HG1 THR 20 HG1 THR 20 7.235 -11.102 -0.786 151 HG21 THR 20 3HG2 THR 20 7.436 -7.851 0.341 152 HG22 THR 20 1HG2 THR 20 8.317 -9.368 0.153 153 HG23 THR 20 2HG2 THR 20 6.877 -9.304 1.170 154 H THR 21 H THR 21 5.604 -7.036 -2.652 155 HA THR 21 HA THR 21 6.491 -4.799 -1.255 156 HB THR 21 HB THR 21 5.074 -4.738 -3.939 157 HG1 THR 21 HG1 THR 21 7.419 -4.850 -4.632 158 HG21 THR 21 3HG2 THR 21 7.172 -2.908 -2.745 159 HG22 THR 21 1HG2 THR 21 5.469 -2.515 -2.986 160 HG23 THR 21 2HG2 THR 21 6.514 -2.794 -4.378 161 H VAL 22 H VAL 22 3.219 -5.411 -2.550 162 HA VAL 22 HA VAL 22 2.079 -2.985 -1.611 163 HB VAL 22 HB VAL 22 0.664 -5.583 -2.271 164 HG11 VAL 22 1HG1 VAL 22 -1.290 -4.156 -2.708 165 HG12 VAL 22 2HG1 VAL 22 -0.379 -2.746 -2.166 166 HG13 VAL 22 3HG1 VAL 22 -0.762 -4.039 -1.029 167 HG21 VAL 22 3HG2 VAL 22 0.351 -4.642 -4.511 168 HG22 VAL 22 1HG2 VAL 22 2.065 -4.817 -4.128 169 HG23 VAL 22 2HG2 VAL 22 1.303 -3.228 -4.058 170 H ARG 23 H ARG 23 2.137 -6.273 -0.251 171 HA ARG 23 HA ARG 23 0.359 -5.813 1.887 172 HB2 ARG 23 2HB ARG 23 1.249 -8.037 0.936 173 HB3 ARG 23 1HB ARG 23 2.647 -7.788 1.969 174 HG2 ARG 23 2HG ARG 23 -0.127 -7.760 3.120 175 HG3 ARG 23 1HG ARG 23 0.694 -9.282 2.786 176 HD2 ARG 23 2HD ARG 23 2.516 -8.657 4.274 177 HD3 ARG 23 1HD ARG 23 1.774 -7.082 4.556 178 HE ARG 23 HE ARG 23 0.078 -8.133 5.819 179 HH11 ARG 23 1HH1 ARG 23 2.510 -10.347 4.776 180 HH12 ARG 23 2HH1 ARG 23 2.066 -11.545 5.937 181 HH21 ARG 23 1HH2 ARG 23 -0.479 -9.711 7.308 182 HH22 ARG 23 2HH2 ARG 23 0.401 -11.195 7.331 183 H ASN 24 H ASN 24 3.907 -5.585 1.722 184 HA ASN 24 HA ASN 24 4.318 -4.867 4.432 185 HB2 ASN 24 2HB ASN 24 6.012 -4.441 1.965 186 HB3 ASN 24 1HB ASN 24 6.555 -4.043 3.593 187 HD21 ASN 24 1HD2 ASN 24 8.225 -5.538 3.463 188 HD22 ASN 24 2HD2 ASN 24 7.948 -7.235 3.572 189 H ALA 25 H ALA 25 3.321 -2.993 1.676 190 HA ALA 25 HA ALA 25 3.869 -0.428 2.892 191 HB1 ALA 25 3HB ALA 25 3.848 -0.632 0.469 192 HB2 ALA 25 1HB ALA 25 2.593 0.491 0.994 193 HB3 ALA 25 2HB ALA 25 2.161 -1.148 0.503 194 H LEU 26 H LEU 26 0.953 -2.380 2.292 195 HA LEU 26 HA LEU 26 -0.965 -0.650 3.324 196 HB2 LEU 26 2HB LEU 26 -0.944 -3.669 3.304 197 HB3 LEU 26 1HB LEU 26 -2.360 -2.694 3.654 198 HG LEU 26 HG LEU 26 -0.854 -2.729 1.029 199 HD11 LEU 26 1HD1 LEU 26 -2.861 -3.831 0.152 200 HD12 LEU 26 2HD1 LEU 26 -3.545 -3.878 1.778 201 HD13 LEU 26 3HD1 LEU 26 -2.084 -4.793 1.407 202 HD21 LEU 26 3HD2 LEU 26 -3.393 -1.286 1.811 203 HD22 LEU 26 1HD2 LEU 26 -2.708 -1.363 0.187 204 HD23 LEU 26 2HD2 LEU 26 -1.831 -0.538 1.475 205 H LYS 27 H LYS 27 1.056 -3.001 5.065 206 HA LYS 27 HA LYS 27 -0.471 -2.995 7.438 207 HB2 LYS 27 2HB LYS 27 1.502 -4.034 8.518 208 HB3 LYS 27 1HB LYS 27 1.018 -4.822 7.029 209 HG2 LYS 27 2HG LYS 27 3.324 -4.809 6.894 210 HG3 LYS 27 1HG LYS 27 2.870 -3.408 5.924 211 HD2 LYS 27 2HD LYS 27 3.466 -1.902 7.681 212 HD3 LYS 27 1HD LYS 27 3.651 -3.222 8.838 213 HE2 LYS 27 2HE LYS 27 5.359 -2.806 6.379 214 HE3 LYS 27 1HE LYS 27 5.819 -2.356 8.020 215 HZ1 LYS 27 3HZ LYS 27 5.235 -5.108 7.076 216 HZ2 LYS 27 1HZ LYS 27 5.664 -4.686 8.657 217 HZ3 LYS 27 2HZ LYS 27 6.769 -4.481 7.392 218 H ASP 28 H ASP 28 1.819 -0.650 6.277 219 HA ASP 28 HA ASP 28 2.087 0.576 8.907 220 HB2 ASP 28 2HB ASP 28 3.240 1.167 6.206 221 HB3 ASP 28 1HB ASP 28 3.242 2.426 7.440 222 H LEU 29 H LEU 29 0.274 1.146 5.936 223 HA LEU 29 HA LEU 29 -0.824 3.650 6.733 224 HB2 LEU 29 2HB LEU 29 -2.012 1.588 4.863 225 HB3 LEU 29 1HB LEU 29 -2.474 3.277 4.966 226 HG LEU 29 HG LEU 29 0.208 2.230 4.033 227 HD11 LEU 29 1HD1 LEU 29 -1.550 1.812 2.414 228 HD12 LEU 29 2HD1 LEU 29 -0.477 3.088 1.840 229 HD13 LEU 29 3HD1 LEU 29 -2.061 3.498 2.499 230 HD21 LEU 29 3HD2 LEU 29 0.677 4.567 3.424 231 HD22 LEU 29 1HD2 LEU 29 0.472 4.363 5.163 232 HD23 LEU 29 2HD2 LEU 29 -0.829 5.064 4.199 233 H LEU 30 H LEU 30 -1.931 0.313 7.029 234 HA LEU 30 HA LEU 30 -4.485 0.862 8.094 235 HB2 LEU 30 2HB LEU 30 -3.845 -1.253 6.996 236 HB3 LEU 30 1HB LEU 30 -2.795 -1.630 8.350 237 HG LEU 30 HG LEU 30 -4.765 -1.723 9.842 238 HD11 LEU 30 1HD1 LEU 30 -7.013 -1.723 8.895 239 HD12 LEU 30 2HD1 LEU 30 -6.356 -1.327 7.307 240 HD13 LEU 30 3HD1 LEU 30 -6.214 -0.174 8.636 241 HD21 LEU 30 3HD2 LEU 30 -5.002 -3.503 7.410 242 HD22 LEU 30 1HD2 LEU 30 -5.676 -3.827 9.008 243 HD23 LEU 30 2HD2 LEU 30 -3.927 -3.773 8.782 244 H LYS 31 H LYS 31 -1.349 0.341 9.703 245 HA LYS 31 HA LYS 31 -2.455 -0.187 12.253 246 HB2 LYS 31 2HB LYS 31 -0.157 0.251 13.141 247 HB3 LYS 31 1HB LYS 31 -0.250 -0.950 11.868 248 HG2 LYS 31 2HG LYS 31 1.643 0.242 11.302 249 HG3 LYS 31 1HG LYS 31 0.411 0.989 10.288 250 HD2 LYS 31 2HD LYS 31 0.236 2.868 11.787 251 HD3 LYS 31 1HD LYS 31 1.295 2.086 12.961 252 HE2 LYS 31 2HE LYS 31 2.110 2.937 10.177 253 HE3 LYS 31 1HE LYS 31 2.456 3.828 11.657 254 HZ1 LYS 31 3HZ LYS 31 3.755 1.963 12.448 255 HZ2 LYS 31 1HZ LYS 31 4.337 2.482 10.951 256 HZ3 LYS 31 2HZ LYS 31 3.406 1.079 11.050 257 H ASP 32 H ASP 32 -2.088 2.806 10.602 258 HA ASP 32 HA ASP 32 -2.859 4.198 13.093 259 HB2 ASP 32 2HB ASP 32 -1.093 5.107 10.850 260 HB3 ASP 32 1HB ASP 32 -2.007 6.301 11.768 261 H MET 33 H MET 33 -3.806 3.460 9.861 262 HA MET 33 HA MET 33 -6.115 5.281 10.143 263 HB2 MET 33 2HB MET 33 -4.728 5.734 8.150 264 HB3 MET 33 1HB MET 33 -4.976 4.079 7.606 265 HG2 MET 33 2HG MET 33 -6.422 5.680 6.437 266 HG3 MET 33 1HG MET 33 -7.348 4.484 7.343 267 HE1 MET 33 3HE MET 33 -6.740 8.857 8.705 268 HE2 MET 33 1HE MET 33 -6.090 8.191 7.206 269 HE3 MET 33 2HE MET 33 -5.444 7.662 8.760 270 H ASN 34 H ASN 34 -8.021 4.357 10.538 271 HA ASN 34 HA ASN 34 -8.343 1.623 11.004 272 HB2 ASN 34 2HB ASN 34 -10.542 3.613 10.394 273 HB3 ASN 34 1HB ASN 34 -10.705 2.106 11.292 274 HD21 ASN 34 1HD2 ASN 34 -9.815 1.978 13.390 275 HD22 ASN 34 2HD2 ASN 34 -9.430 3.402 14.287 276 H GLN 35 H GLN 35 -9.559 -0.002 9.925 277 HA GLN 35 HA GLN 35 -8.842 -0.482 7.321 278 HB2 GLN 35 2HB GLN 35 -11.286 -1.568 8.746 279 HB3 GLN 35 1HB GLN 35 -10.581 -2.248 7.287 280 HG2 GLN 35 2HG GLN 35 -8.504 -2.710 8.513 281 HG3 GLN 35 1HG GLN 35 -9.231 -2.059 9.980 282 HE21 GLN 35 1HE2 GLN 35 -9.175 -4.702 7.746 283 HE22 GLN 35 2HE2 GLN 35 -10.093 -5.803 8.705 284 H SER 36 H SER 36 -12.110 0.581 8.335 285 HA SER 36 HA SER 36 -13.111 0.853 5.704 286 HB2 SER 36 2HB SER 36 -14.079 2.156 8.266 287 HB3 SER 36 1HB SER 36 -14.976 2.115 6.748 288 HG SER 36 HG SER 36 -15.454 0.073 7.059 289 H SER 37 H SER 37 -11.745 3.269 7.941 290 HA SER 37 HA SER 37 -12.150 5.528 6.298 291 HB2 SER 37 2HB SER 37 -11.560 5.661 8.706 292 HB3 SER 37 1HB SER 37 -9.931 5.103 8.325 293 HG SER 37 HG SER 37 -9.452 7.085 7.841 294 H LEU 38 H LEU 38 -9.637 3.083 6.269 295 HA LEU 38 HA LEU 38 -7.891 4.478 4.461 296 HB2 LEU 38 2HB LEU 38 -7.218 2.652 6.079 297 HB3 LEU 38 1HB LEU 38 -8.018 1.505 5.028 298 HG LEU 38 HG LEU 38 -5.499 1.634 4.830 299 HD11 LEU 38 1HD1 LEU 38 -7.076 2.148 2.306 300 HD12 LEU 38 2HD1 LEU 38 -6.834 0.586 3.087 301 HD13 LEU 38 3HD1 LEU 38 -5.460 1.444 2.393 302 HD21 LEU 38 3HD2 LEU 38 -6.089 4.251 3.443 303 HD22 LEU 38 1HD2 LEU 38 -4.519 3.453 3.559 304 HD23 LEU 38 2HD2 LEU 38 -5.301 4.074 5.011 305 H ALA 39 H ALA 39 -10.111 1.696 4.090 306 HA ALA 39 HA ALA 39 -9.907 1.482 1.285 307 HB1 ALA 39 3HB ALA 39 -11.888 0.078 1.412 308 HB2 ALA 39 1HB ALA 39 -12.214 0.648 3.047 309 HB3 ALA 39 2HB ALA 39 -10.772 -0.315 2.719 310 H LYS 40 H LYS 40 -11.530 3.788 3.204 311 HA LYS 40 HA LYS 40 -13.604 4.575 1.451 312 HB2 LYS 40 2HB LYS 40 -13.513 5.240 3.819 313 HB3 LYS 40 1HB LYS 40 -12.084 6.212 3.496 314 HG2 LYS 40 2HG LYS 40 -13.390 7.664 2.028 315 HG3 LYS 40 1HG LYS 40 -14.826 6.683 2.326 316 HD2 LYS 40 2HD LYS 40 -13.278 8.229 4.418 317 HD3 LYS 40 1HD LYS 40 -14.813 8.721 3.701 318 HE2 LYS 40 2HE LYS 40 -15.895 6.741 4.634 319 HE3 LYS 40 1HE LYS 40 -14.362 6.210 5.322 320 HZ1 LYS 40 3HZ LYS 40 -15.734 7.298 6.974 321 HZ2 LYS 40 1HZ LYS 40 -15.808 8.704 6.034 322 HZ3 LYS 40 2HZ LYS 40 -14.334 8.202 6.692 323 H GLU 41 H GLU 41 -10.318 5.959 1.916 324 HA GLU 41 HA GLU 41 -10.676 7.594 -0.473 325 HB2 GLU 41 2HB GLU 41 -8.626 8.692 0.110 326 HB3 GLU 41 1HB GLU 41 -9.611 8.549 1.558 327 HG2 GLU 41 2HG GLU 41 -8.254 6.671 2.318 328 HG3 GLU 41 1HG GLU 41 -7.285 6.761 0.846 329 H CYS 42 H CYS 42 -9.363 4.560 0.328 330 HA CYS 42 HA CYS 42 -7.599 4.431 -1.989 331 HB2 CYS 42 2HB CYS 42 -6.931 3.302 0.101 332 HB3 CYS 42 1HB CYS 42 -8.365 2.287 0.013 333 HG CYS 42 HG CYS 42 -5.446 1.630 -1.130 334 HA PRO 43 HA PRO 43 -10.866 2.876 -4.590 335 HB2 PRO 43 2HB PRO 43 -9.451 2.183 -6.755 336 HB3 PRO 43 1HB PRO 43 -9.588 3.874 -6.253 337 HG2 PRO 43 2HG PRO 43 -7.339 1.937 -5.786 338 HG3 PRO 43 1HG PRO 43 -7.261 3.628 -6.316 339 HD2 PRO 43 2HD PRO 43 -6.861 2.831 -3.723 340 HD3 PRO 43 1HD PRO 43 -7.465 4.437 -4.174 341 H LEU 44 H LEU 44 -9.065 0.887 -2.806 342 HA LEU 44 HA LEU 44 -9.553 -1.576 -4.316 343 HB2 LEU 44 2HB LEU 44 -8.130 -1.159 -1.680 344 HB3 LEU 44 1HB LEU 44 -8.237 -2.678 -2.552 345 HG LEU 44 HG LEU 44 -6.801 -0.187 -3.489 346 HD11 LEU 44 1HD1 LEU 44 -4.774 -1.526 -3.208 347 HD12 LEU 44 2HD1 LEU 44 -5.735 -2.861 -2.573 348 HD13 LEU 44 3HD1 LEU 44 -5.638 -1.343 -1.680 349 HD21 LEU 44 3HD2 LEU 44 -7.023 -2.898 -4.804 350 HD22 LEU 44 1HD2 LEU 44 -6.021 -1.556 -5.361 351 HD23 LEU 44 2HD2 LEU 44 -7.776 -1.406 -5.368 352 H SER 45 H SER 45 -10.413 -3.477 -3.061 353 HA SER 45 HA SER 45 -12.935 -2.721 -1.846 354 HB2 SER 45 2HB SER 45 -11.817 -5.475 -2.433 355 HB3 SER 45 1HB SER 45 -13.485 -5.105 -1.996 356 HG SER 45 HG SER 45 -13.845 -4.692 -4.013 357 H GLN 46 H GLN 46 -13.436 -2.780 0.259 358 HA GLN 46 HA GLN 46 -11.487 -2.604 2.201 359 HB2 GLN 46 2HB GLN 46 -13.766 -1.700 2.410 360 HB3 GLN 46 1HB GLN 46 -14.396 -3.331 2.598 361 HG2 GLN 46 2HG GLN 46 -13.068 -3.579 4.665 362 HG3 GLN 46 1HG GLN 46 -12.520 -1.912 4.489 363 HE21 GLN 46 1HE2 GLN 46 -15.207 -3.979 5.248 364 HE22 GLN 46 2HE2 GLN 46 -16.226 -2.745 5.900 365 H SER 47 H SER 47 -13.747 -5.373 1.852 366 HA SER 47 HA SER 47 -12.553 -6.880 3.920 367 HB2 SER 47 2HB SER 47 -14.273 -7.847 1.624 368 HB3 SER 47 1HB SER 47 -13.896 -8.773 3.077 369 HG SER 47 HG SER 47 -15.950 -7.356 2.864 370 H MET 48 H MET 48 -11.918 -6.781 0.437 371 HA MET 48 HA MET 48 -10.167 -8.981 0.292 372 HB2 MET 48 2HB MET 48 -10.151 -6.404 -1.296 373 HB3 MET 48 1HB MET 48 -9.159 -7.805 -1.680 374 HG2 MET 48 2HG MET 48 -11.215 -9.141 -1.971 375 HG3 MET 48 1HG MET 48 -12.168 -7.688 -1.673 376 HE1 MET 48 3HE MET 48 -9.448 -8.353 -5.346 377 HE2 MET 48 1HE MET 48 -9.728 -9.546 -4.076 378 HE3 MET 48 2HE MET 48 -8.787 -8.094 -3.731 379 H ILE 49 H ILE 49 -9.438 -5.533 0.925 380 HA ILE 49 HA ILE 49 -6.683 -5.773 1.369 381 HB ILE 49 HB ILE 49 -8.616 -3.912 2.779 382 HG12 ILE 49 2HG1 ILE 49 -6.950 -3.449 0.287 383 HG13 ILE 49 1HG1 ILE 49 -8.685 -3.741 0.306 384 HG21 ILE 49 1HG2 ILE 49 -6.500 -4.024 3.964 385 HG22 ILE 49 2HG2 ILE 49 -6.646 -2.470 3.145 386 HG23 ILE 49 3HG2 ILE 49 -5.614 -3.730 2.468 387 HD11 ILE 49 3HD1 ILE 49 -7.280 -1.383 1.544 388 HD12 ILE 49 1HD1 ILE 49 -9.018 -1.678 1.577 389 HD13 ILE 49 2HD1 ILE 49 -8.203 -1.382 0.041 390 H SER 50 H SER 50 -9.366 -5.982 3.686 391 HA SER 50 HA SER 50 -7.932 -6.569 6.009 392 HB2 SER 50 2HB SER 50 -10.330 -6.014 6.001 393 HB3 SER 50 1HB SER 50 -10.691 -7.550 5.212 394 HG SER 50 HG SER 50 -10.920 -8.184 7.216 395 H SER 51 H SER 51 -9.081 -8.742 3.462 396 HA SER 51 HA SER 51 -8.369 -11.172 4.768 397 HB2 SER 51 2HB SER 51 -8.833 -10.573 1.835 398 HB3 SER 51 1HB SER 51 -8.613 -12.195 2.492 399 HG SER 51 HG SER 51 -10.732 -10.373 2.946 400 H ILE 52 H ILE 52 -6.641 -9.040 2.526 401 HA ILE 52 HA ILE 52 -4.448 -10.763 2.021 402 HB ILE 52 HB ILE 52 -4.560 -7.736 1.943 403 HG12 ILE 52 2HG1 ILE 52 -4.777 -9.767 -0.303 404 HG13 ILE 52 1HG1 ILE 52 -6.145 -8.926 0.417 405 HG21 ILE 52 1HG2 ILE 52 -2.559 -7.859 0.530 406 HG22 ILE 52 2HG2 ILE 52 -2.498 -9.606 0.752 407 HG23 ILE 52 3HG2 ILE 52 -2.245 -8.532 2.129 408 HD11 ILE 52 3HD1 ILE 52 -5.241 -6.797 -0.347 409 HD12 ILE 52 1HD1 ILE 52 -5.490 -7.919 -1.683 410 HD13 ILE 52 2HD1 ILE 52 -3.864 -7.637 -1.061 411 H VAL 53 H VAL 53 -4.877 -8.158 4.417 412 HA VAL 53 HA VAL 53 -2.302 -8.277 5.547 413 HB VAL 53 HB VAL 53 -4.873 -7.496 6.951 414 HG11 VAL 53 1HG1 VAL 53 -1.996 -6.780 7.560 415 HG12 VAL 53 2HG1 VAL 53 -3.032 -7.848 8.508 416 HG13 VAL 53 3HG1 VAL 53 -3.414 -6.132 8.386 417 HG21 VAL 53 3HG2 VAL 53 -4.585 -6.233 4.876 418 HG22 VAL 53 1HG2 VAL 53 -2.950 -5.781 5.359 419 HG23 VAL 53 2HG2 VAL 53 -4.337 -5.195 6.279 420 H ASN 54 H ASN 54 -5.256 -10.069 6.325 421 HA ASN 54 HA ASN 54 -3.780 -11.644 8.338 422 HB2 ASN 54 2HB ASN 54 -6.764 -11.390 7.889 423 HB3 ASN 54 1HB ASN 54 -6.000 -12.334 9.163 424 HD21 ASN 54 1HD2 ASN 54 -4.908 -11.229 10.835 425 HD22 ASN 54 2HD2 ASN 54 -5.263 -9.579 11.194 426 H SER 55 H SER 55 -3.631 -12.010 5.386 427 HA SER 55 HA SER 55 -5.144 -14.230 4.546 428 HB2 SER 55 2HB SER 55 -4.053 -12.868 2.894 429 HB3 SER 55 1HB SER 55 -2.465 -13.218 3.572 430 HG SER 55 HG SER 55 -2.502 -15.192 2.711 431 H THR 56 H THR 56 -5.141 -15.830 6.112 432 HA THR 56 HA THR 56 -2.664 -17.219 6.783 433 HB THR 56 HB THR 56 -4.119 -18.734 8.111 434 HG1 THR 56 HG1 THR 56 -6.318 -18.457 8.141 435 HG21 THR 56 3HG2 THR 56 -4.818 -17.113 9.795 436 HG22 THR 56 1HG2 THR 56 -4.698 -15.810 8.614 437 HG23 THR 56 2HG2 THR 56 -3.245 -16.665 9.133 438 H TYR 57 H TYR 57 -5.811 -18.337 5.511 439 HA TYR 57 HA TYR 57 -4.390 -20.327 3.862 440 HB2 TYR 57 2HB TYR 57 -6.453 -21.581 3.785 441 HB3 TYR 57 1HB TYR 57 -6.107 -21.176 5.460 442 HD1 TYR 57 HD2 TYR 57 -7.466 -19.438 6.623 443 HD2 TYR 57 HD1 TYR 57 -8.411 -20.743 2.676 444 HE1 TYR 57 HE2 TYR 57 -9.705 -18.444 6.832 445 HE2 TYR 57 HE1 TYR 57 -10.647 -19.752 2.882 446 HH TYR 57 HH TYR 57 -11.501 -17.631 5.434 447 H TYR 58 H TYR 58 -5.883 -17.342 3.637 448 HA TYR 58 HA TYR 58 -7.361 -17.390 1.289 449 HB2 TYR 58 2HB TYR 58 -7.253 -15.464 2.800 450 HB3 TYR 58 1HB TYR 58 -5.580 -15.177 2.344 451 HD1 TYR 58 HD1 TYR 58 -9.026 -15.324 0.918 452 HD2 TYR 58 HD2 TYR 58 -5.098 -13.716 0.571 453 HE1 TYR 58 HE1 TYR 58 -9.797 -13.837 -0.879 454 HE2 TYR 58 HE2 TYR 58 -5.864 -12.221 -1.223 455 HH TYR 58 HH TYR 58 -9.187 -11.773 -1.944 456 H ALA 59 H ALA 59 -4.113 -15.935 1.315 457 HA ALA 59 HA ALA 59 -2.323 -16.061 -0.066 458 HB1 ALA 59 3HB ALA 59 -3.438 -18.715 -0.966 459 HB2 ALA 59 1HB ALA 59 -2.444 -18.469 0.470 460 HB3 ALA 59 2HB ALA 59 -1.773 -18.151 -1.129 461 H ASN 60 H ASN 60 -4.832 -17.617 -2.073 462 HA ASN 60 HA ASN 60 -4.056 -16.590 -4.520 463 HB2 ASN 60 2HB ASN 60 -6.857 -17.326 -3.627 464 HB3 ASN 60 1HB ASN 60 -6.323 -17.176 -5.299 465 HD21 ASN 60 1HD2 ASN 60 -6.174 -19.093 -2.407 466 HD22 ASN 60 2HD2 ASN 60 -5.467 -20.489 -3.144 467 H VAL 61 H VAL 61 -3.570 -14.392 -4.454 468 HA VAL 61 HA VAL 61 -5.878 -12.562 -4.236 469 HB VAL 61 HB VAL 61 -4.204 -12.151 -2.481 470 HG11 VAL 61 1HG1 VAL 61 -1.971 -11.283 -3.066 471 HG12 VAL 61 2HG1 VAL 61 -2.291 -11.634 -4.764 472 HG13 VAL 61 3HG1 VAL 61 -2.204 -12.950 -3.593 473 HG21 VAL 61 3HG2 VAL 61 -5.517 -10.276 -3.331 474 HG22 VAL 61 1HG2 VAL 61 -4.301 -9.964 -4.570 475 HG23 VAL 61 2HG2 VAL 61 -3.901 -9.746 -2.865 476 H SER 62 H SER 62 -6.205 -11.053 -5.825 477 HA SER 62 HA SER 62 -5.224 -11.609 -8.442 478 HB2 SER 62 2HB SER 62 -7.471 -10.741 -8.129 479 HB3 SER 62 1HB SER 62 -6.840 -9.273 -7.387 480 HG SER 62 HG SER 62 -7.003 -9.995 -10.055 481 H ALA 63 H ALA 63 -3.945 -10.349 -9.824 482 HA ALA 63 HA ALA 63 -1.882 -8.780 -8.501 483 HB1 ALA 63 3HB ALA 63 -0.683 -8.904 -10.589 484 HB2 ALA 63 1HB ALA 63 -2.108 -9.534 -11.414 485 HB3 ALA 63 2HB ALA 63 -1.304 -10.504 -10.180 486 H ALA 64 H ALA 64 -4.637 -8.248 -10.589 487 HA ALA 64 HA ALA 64 -4.023 -5.773 -11.707 488 HB1 ALA 64 3HB ALA 64 -5.967 -7.124 -12.345 489 HB2 ALA 64 1HB ALA 64 -6.419 -5.458 -11.983 490 HB3 ALA 64 2HB ALA 64 -6.741 -6.734 -10.809 491 H LYS 65 H LYS 65 -5.829 -6.354 -8.661 492 HA LYS 65 HA LYS 65 -6.042 -3.655 -7.923 493 HB2 LYS 65 2HB LYS 65 -6.434 -4.567 -5.587 494 HB3 LYS 65 1HB LYS 65 -7.499 -5.161 -6.847 495 HG2 LYS 65 2HG LYS 65 -6.947 -7.007 -5.468 496 HG3 LYS 65 1HG LYS 65 -6.082 -7.217 -6.986 497 HD2 LYS 65 2HD LYS 65 -4.601 -7.820 -5.212 498 HD3 LYS 65 1HD LYS 65 -4.042 -6.285 -5.863 499 HE2 LYS 65 2HE LYS 65 -5.765 -6.540 -3.399 500 HE3 LYS 65 1HE LYS 65 -4.007 -6.465 -3.359 501 HZ1 LYS 65 3HZ LYS 65 -4.159 -4.288 -4.474 502 HZ2 LYS 65 1HZ LYS 65 -4.906 -4.302 -2.955 503 HZ3 LYS 65 2HZ LYS 65 -5.844 -4.362 -4.357 504 H CYS 66 H CYS 66 -3.221 -5.448 -8.097 505 HA CYS 66 HA CYS 66 -1.847 -3.908 -6.015 506 HB2 CYS 66 2HB CYS 66 -0.800 -6.080 -7.850 507 HB3 CYS 66 1HB CYS 66 0.109 -5.316 -6.549 508 HG CYS 66 HG CYS 66 -1.610 -8.004 -6.377 509 H GLN 67 H GLN 67 -1.684 -4.439 -9.542 510 HA GLN 67 HA GLN 67 0.322 -2.511 -10.062 511 HB2 GLN 67 2HB GLN 67 -1.873 -3.544 -11.874 512 HB3 GLN 67 1HB GLN 67 -0.475 -2.617 -12.407 513 HG2 GLN 67 2HG GLN 67 0.994 -4.424 -11.564 514 HG3 GLN 67 1HG GLN 67 -0.444 -5.358 -11.153 515 HE21 GLN 67 1HE2 GLN 67 0.127 -7.015 -12.551 516 HE22 GLN 67 2HE2 GLN 67 0.027 -6.854 -14.268 517 H GLU 68 H GLU 68 -3.242 -2.286 -10.184 518 HA GLU 68 HA GLU 68 -3.352 0.464 -10.831 519 HB2 GLU 68 2HB GLU 68 -5.293 -1.487 -9.660 520 HB3 GLU 68 1HB GLU 68 -5.683 0.226 -9.604 521 HG2 GLU 68 2HG GLU 68 -6.658 -0.920 -11.554 522 HG3 GLU 68 1HG GLU 68 -5.578 0.395 -12.002 523 H PHE 69 H PHE 69 -2.867 -1.183 -7.779 524 HA PHE 69 HA PHE 69 -3.253 1.051 -6.074 525 HB2 PHE 69 2HB PHE 69 -3.140 -1.252 -5.208 526 HB3 PHE 69 1HB PHE 69 -1.454 -1.363 -5.697 527 HD1 PHE 69 HD2 PHE 69 -3.779 0.417 -3.423 528 HD2 PHE 69 HD1 PHE 69 0.270 -0.593 -4.285 529 HE1 PHE 69 HE2 PHE 69 -3.094 1.301 -1.234 530 HE2 PHE 69 HE1 PHE 69 0.958 0.290 -2.093 531 HZ PHE 69 HZ PHE 69 -0.725 1.237 -0.565 532 H GLY 70 H GLY 70 -0.392 -0.217 -7.764 533 HA2 GLY 70 2HA GLY 70 1.461 1.733 -6.879 534 HA3 GLY 70 1HA GLY 70 1.600 0.773 -8.343 535 H ARG 71 H ARG 71 -0.949 1.796 -9.422 536 HA ARG 71 HA ARG 71 -0.036 4.229 -10.639 537 HB2 ARG 71 2HB ARG 71 -1.521 2.489 -11.721 538 HB3 ARG 71 1HB ARG 71 -2.832 3.062 -10.702 539 HG2 ARG 71 2HG ARG 71 -2.964 4.007 -12.946 540 HG3 ARG 71 1HG ARG 71 -2.698 5.268 -11.739 541 HD2 ARG 71 2HD ARG 71 -1.326 5.480 -13.848 542 HD3 ARG 71 1HD ARG 71 -0.407 5.487 -12.343 543 HE ARG 71 HE ARG 71 0.089 3.100 -12.819 544 HH11 ARG 71 1HH1 ARG 71 -0.771 5.183 -15.421 545 HH12 ARG 71 2HH1 ARG 71 0.064 4.229 -16.592 546 HH21 ARG 71 1HH2 ARG 71 1.157 1.911 -14.313 547 HH22 ARG 71 2HH2 ARG 71 1.133 2.390 -15.976 548 H TRP 72 H TRP 72 -2.603 3.415 -8.325 549 HA TRP 72 HA TRP 72 -3.529 5.987 -7.743 550 HB2 TRP 72 2HB TRP 72 -4.678 3.944 -7.031 551 HB3 TRP 72 1HB TRP 72 -3.347 3.548 -5.952 552 HD1 TRP 72 HD TRP 72 -6.076 6.273 -6.356 553 HE1 TRP 72 HE1 TRP 72 -6.694 7.135 -4.011 554 HE3 TRP 72 HE3 TRP 72 -2.640 3.668 -3.605 555 HZ2 TRP 72 HZ2 TRP 72 -5.838 6.754 -1.345 556 HZ3 TRP 72 HZ3 TRP 72 -2.609 3.968 -1.162 557 HH2 TRP 72 HH TRP 72 -4.177 5.483 -0.056 558 H TYR 73 H TYR 73 -0.827 4.158 -6.407 559 HA TYR 73 HA TYR 73 0.020 5.700 -4.295 560 HB2 TYR 73 2HB TYR 73 1.013 3.544 -5.051 561 HB3 TYR 73 1HB TYR 73 1.778 4.386 -6.390 562 HD1 TYR 73 HD2 TYR 73 1.787 3.908 -2.737 563 HD2 TYR 73 HD1 TYR 73 3.789 5.680 -6.052 564 HE1 TYR 73 HE2 TYR 73 3.753 4.321 -1.319 565 HE2 TYR 73 HE1 TYR 73 5.761 6.094 -4.642 566 HH TYR 73 HH TYR 73 6.298 4.623 -1.744 567 H LYS 74 H LYS 74 0.723 6.195 -7.739 568 HA LYS 74 HA LYS 74 2.395 8.449 -7.493 569 HB2 LYS 74 2HB LYS 74 2.264 7.159 -9.558 570 HB3 LYS 74 1HB LYS 74 0.576 7.607 -9.763 571 HG2 LYS 74 2HG LYS 74 1.280 9.981 -9.989 572 HG3 LYS 74 1HG LYS 74 2.962 9.452 -9.910 573 HD2 LYS 74 2HD LYS 74 0.941 8.583 -11.990 574 HD3 LYS 74 1HD LYS 74 2.196 9.802 -12.231 575 HE2 LYS 74 2HE LYS 74 2.744 6.921 -11.491 576 HE3 LYS 74 1HE LYS 74 2.762 7.542 -13.141 577 HZ1 LYS 74 3HZ LYS 74 4.499 8.538 -10.948 578 HZ2 LYS 74 1HZ LYS 74 4.556 9.008 -12.571 579 HZ3 LYS 74 2HZ LYS 74 4.978 7.433 -12.135 580 H HIS 75 H HIS 75 -1.125 8.231 -8.066 581 HA HIS 75 HA HIS 75 -1.533 11.053 -8.163 582 HB2 HIS 75 2HB HIS 75 -3.067 9.443 -9.225 583 HB3 HIS 75 1HB HIS 75 -3.528 8.835 -7.639 584 HD1 HIS 75 HD1 HIS 75 -5.508 9.926 -6.591 585 HD2 HIS 75 HD2 HIS 75 -3.841 12.271 -9.590 586 HE1 HIS 75 HE1 HIS 75 -7.062 11.871 -6.862 587 HE2 HIS 75 HE2 HIS 75 -5.929 13.369 -8.535 588 H PHE 76 H PHE 76 -1.387 8.755 -5.567 589 HA PHE 76 HA PHE 76 -2.772 10.333 -3.617 590 HB2 PHE 76 2HB PHE 76 -2.664 7.884 -3.467 591 HB3 PHE 76 1HB PHE 76 -0.916 7.959 -3.285 592 HD1 PHE 76 HD2 PHE 76 -4.083 9.088 -1.676 593 HD2 PHE 76 HD1 PHE 76 0.022 8.065 -1.154 594 HE1 PHE 76 HE2 PHE 76 -4.358 9.235 0.764 595 HE2 PHE 76 HE1 PHE 76 -0.254 8.206 1.285 596 HZ PHE 76 HZ PHE 76 -2.442 8.793 2.246 597 H LYS 77 H LYS 77 0.686 9.565 -4.135 598 HA LYS 77 HA LYS 77 1.441 11.533 -2.103 599 HB2 LYS 77 2HB LYS 77 3.073 9.524 -3.665 600 HB3 LYS 77 1HB LYS 77 3.753 10.645 -2.493 601 HG2 LYS 77 2HG LYS 77 2.427 9.634 -0.717 602 HG3 LYS 77 1HG LYS 77 1.679 8.540 -1.883 603 HD2 LYS 77 2HD LYS 77 3.484 7.433 -0.630 604 HD3 LYS 77 1HD LYS 77 3.845 7.522 -2.353 605 HE2 LYS 77 2HE LYS 77 5.305 9.446 -1.955 606 HE3 LYS 77 1HE LYS 77 4.931 9.387 -0.234 607 HZ1 LYS 77 3HZ LYS 77 6.260 7.215 -1.768 608 HZ2 LYS 77 1HZ LYS 77 5.950 7.220 -0.104 609 HZ3 LYS 77 2HZ LYS 77 7.047 8.323 -0.763 610 H LYS 78 H LYS 78 1.465 11.219 -5.579 611 HA LYS 78 HA LYS 78 2.170 12.558 -7.283 612 HB2 LYS 78 2HB LYS 78 0.870 14.175 -5.497 613 HB3 LYS 78 1HB LYS 78 2.420 14.990 -5.600 614 HG2 LYS 78 2HG LYS 78 0.663 14.326 -7.963 615 HG3 LYS 78 1HG LYS 78 0.719 15.888 -7.148 616 HD2 LYS 78 2HD LYS 78 3.127 16.059 -7.719 617 HD3 LYS 78 1HD LYS 78 2.998 14.540 -8.610 618 HE2 LYS 78 2HE LYS 78 2.859 16.462 -10.115 619 HE3 LYS 78 1HE LYS 78 1.348 15.553 -10.107 620 HZ1 LYS 78 3HZ LYS 78 0.408 17.192 -8.604 621 HZ2 LYS 78 1HZ LYS 78 0.959 17.935 -10.017 622 HZ3 LYS 78 2HZ LYS 78 1.859 18.057 -8.594 623 H THR 79 H THR 79 4.179 11.127 -6.526 624 HA THR 79 HA THR 79 6.385 12.530 -5.305 625 HB THR 79 HB THR 79 7.623 10.411 -5.631 626 HG1 THR 79 HG1 THR 79 6.834 8.823 -6.863 627 HG21 THR 79 3HG2 THR 79 6.219 9.000 -4.203 628 HG22 THR 79 1HG2 THR 79 4.825 10.021 -4.555 629 HG23 THR 79 2HG2 THR 79 6.193 10.677 -3.656 630 H LYS 80 H LYS 80 5.611 13.708 -7.861 631 HA LYS 80 HA LYS 80 6.495 14.473 -9.817 632 HB2 LYS 80 2HB LYS 80 8.512 14.882 -8.450 633 HB3 LYS 80 1HB LYS 80 9.074 13.251 -8.778 634 HG2 LYS 80 2HG LYS 80 9.428 13.765 -11.090 635 HG3 LYS 80 1HG LYS 80 8.645 15.339 -10.911 636 HD2 LYS 80 2HD LYS 80 10.424 16.088 -9.429 637 HD3 LYS 80 1HD LYS 80 11.181 14.495 -9.490 638 HE2 LYS 80 2HE LYS 80 10.769 16.267 -11.902 639 HE3 LYS 80 1HE LYS 80 12.254 16.221 -10.953 640 HZ1 LYS 80 3HZ LYS 80 11.060 13.904 -12.374 641 HZ2 LYS 80 1HZ LYS 80 12.503 13.894 -11.493 642 HZ3 LYS 80 2HZ LYS 80 12.385 14.807 -12.913 643 H ASP 81 H ASP 81 7.432 13.684 -11.966 644 HA ASP 81 HA ASP 81 7.210 12.261 -13.730 645 HB2 ASP 81 2HB ASP 81 8.705 10.718 -12.513 646 HB3 ASP 81 1HB ASP 81 7.325 10.055 -11.647 647 H MET 82 H MET 82 5.201 12.785 -14.477 648 HA MET 82 HA MET 82 2.913 11.247 -13.477 649 HB2 MET 82 2HB MET 82 1.551 13.381 -13.418 650 HB3 MET 82 1HB MET 82 2.751 13.212 -12.147 651 HG2 MET 82 2HG MET 82 4.256 14.709 -13.312 652 HG3 MET 82 1HG MET 82 3.127 14.825 -14.661 653 HE1 MET 82 3HE MET 82 4.400 17.337 -13.010 654 HE2 MET 82 1HE MET 82 2.983 18.384 -12.967 655 HE3 MET 82 2HE MET 82 3.374 17.490 -14.437 656 H MET 83 H MET 83 2.703 10.137 -15.387 657 HA MET 83 HA MET 83 1.833 9.668 -17.429 658 HB2 MET 83 2HB MET 83 0.493 12.364 -17.129 659 HB3 MET 83 1HB MET 83 -0.005 11.077 -18.220 660 HG2 MET 83 2HG MET 83 -0.547 9.649 -16.347 661 HG3 MET 83 1HG MET 83 0.049 10.863 -15.216 662 HE1 MET 83 3HE MET 83 -3.797 10.954 -14.553 663 HE2 MET 83 1HE MET 83 -2.196 10.755 -13.842 664 HE3 MET 83 2HE MET 83 -2.831 9.531 -14.941 Start of MODEL 2 1 H1 MET 1 1H MET 1 13.889 -12.913 8.576 2 H2 MET 1 2H MET 1 12.652 -13.231 9.680 3 H3 MET 1 3H MET 1 13.389 -11.710 9.652 4 HA MET 1 HA MET 1 11.737 -12.893 7.496 5 HB2 MET 1 2HB MET 1 11.176 -10.571 9.357 6 HB3 MET 1 1HB MET 1 10.132 -11.098 8.047 7 HG2 MET 1 2HG MET 1 9.838 -13.262 9.182 8 HG3 MET 1 1HG MET 1 10.829 -12.672 10.518 9 HE1 MET 1 3HE MET 1 7.208 -12.700 12.039 10 HE2 MET 1 1HE MET 1 8.877 -13.221 12.267 11 HE3 MET 1 2HE MET 1 7.926 -13.867 10.930 12 H GLY 2 H GLY 2 12.387 -12.214 5.538 13 HA2 GLY 2 2HA GLY 2 13.051 -10.809 3.842 14 HA3 GLY 2 1HA GLY 2 12.761 -9.462 4.927 15 H HIS 3 H HIS 3 14.707 -8.774 3.532 16 HA HIS 3 HA HIS 3 17.176 -9.395 5.031 17 HB2 HIS 3 2HB HIS 3 16.967 -9.097 2.018 18 HB3 HIS 3 1HB HIS 3 18.464 -9.319 2.922 19 HD1 HIS 3 HD1 HIS 3 15.366 -11.144 1.857 20 HD2 HIS 3 HD2 HIS 3 19.008 -11.951 3.683 21 HE1 HIS 3 HE1 HIS 3 15.510 -13.644 1.979 22 HE2 HIS 3 HE2 HIS 3 17.807 -14.102 2.883 23 H HIS 4 H HIS 4 18.876 -7.699 4.747 24 HA HIS 4 HA HIS 4 19.629 -5.565 4.866 25 HB2 HIS 4 2HB HIS 4 17.112 -4.880 3.331 26 HB3 HIS 4 1HB HIS 4 18.339 -3.699 3.769 27 HD1 HIS 4 HD1 HIS 4 17.460 -6.104 1.189 28 HD2 HIS 4 HD2 HIS 4 20.936 -4.268 2.533 29 HE1 HIS 4 HE1 HIS 4 19.131 -6.400 -0.656 30 HE2 HIS 4 HE2 HIS 4 21.264 -5.415 0.235 31 H HIS 5 H HIS 5 16.202 -5.927 5.728 32 HA HIS 5 HA HIS 5 15.075 -5.476 7.642 33 HB2 HIS 5 2HB HIS 5 17.261 -6.357 8.661 34 HB3 HIS 5 1HB HIS 5 17.682 -4.674 8.946 35 HD1 HIS 5 HD1 HIS 5 15.366 -7.376 10.088 36 HD2 HIS 5 HD2 HIS 5 16.304 -3.446 11.063 37 HE1 HIS 5 HE1 HIS 5 14.250 -6.945 12.290 38 HE2 HIS 5 HE2 HIS 5 14.970 -4.628 12.938 39 H HIS 6 H HIS 6 16.030 -3.300 5.653 40 HA HIS 6 HA HIS 6 14.929 -1.053 7.199 41 HB2 HIS 6 2HB HIS 6 17.379 -0.844 5.423 42 HB3 HIS 6 1HB HIS 6 16.566 0.505 6.208 43 HD1 HIS 6 HD1 HIS 6 18.988 -2.220 6.804 44 HD2 HIS 6 HD2 HIS 6 16.971 0.640 9.037 45 HE1 HIS 6 HE1 HIS 6 20.153 -2.155 9.019 46 HE2 HIS 6 HE2 HIS 6 18.807 -0.554 10.409 47 H HIS 7 H HIS 7 14.136 0.735 5.788 48 HA HIS 7 HA HIS 7 12.855 -0.397 3.408 49 HB2 HIS 7 2HB HIS 7 12.371 2.228 4.849 50 HB3 HIS 7 1HB HIS 7 11.437 1.639 3.479 51 HD1 HIS 7 HD1 HIS 7 9.260 0.778 4.260 52 HD2 HIS 7 HD2 HIS 7 12.283 -0.036 6.991 53 HE1 HIS 7 HE1 HIS 7 8.159 -0.494 6.118 54 HE2 HIS 7 HE2 HIS 7 9.972 -0.843 7.826 55 H HIS 8 H HIS 8 14.444 2.717 4.192 56 HA HIS 8 HA HIS 8 15.702 4.161 2.984 57 HB2 HIS 8 2HB HIS 8 16.457 1.632 1.502 58 HB3 HIS 8 1HB HIS 8 17.274 3.179 1.297 59 HD1 HIS 8 HD1 HIS 8 18.454 0.409 2.500 60 HD2 HIS 8 HD2 HIS 8 17.434 3.852 4.599 61 HE1 HIS 8 HE1 HIS 8 19.804 0.335 4.617 62 HE2 HIS 8 HE2 HIS 8 19.208 2.438 5.848 63 H SER 9 H SER 9 16.358 4.540 0.368 64 HA SER 9 HA SER 9 13.848 5.466 -0.693 65 HB2 SER 9 2HB SER 9 16.647 5.642 -1.843 66 HB3 SER 9 1HB SER 9 15.229 6.460 -2.502 67 HG SER 9 HG SER 9 16.405 6.846 0.061 68 H HIS 10 H HIS 10 13.327 2.941 -0.723 69 HA HIS 10 HA HIS 10 13.426 2.199 -3.573 70 HB2 HIS 10 2HB HIS 10 13.750 0.332 -1.208 71 HB3 HIS 10 1HB HIS 10 13.439 -0.218 -2.852 72 HD1 HIS 10 HD1 HIS 10 15.395 -0.213 -4.491 73 HD2 HIS 10 HD2 HIS 10 16.345 1.434 -0.793 74 HE1 HIS 10 HE1 HIS 10 17.894 0.022 -4.478 75 HE2 HIS 10 HE2 HIS 10 18.435 1.133 -2.287 76 H MET 11 H MET 11 11.688 1.963 -0.488 77 HA MET 11 HA MET 11 9.231 1.168 -1.858 78 HB2 MET 11 2HB MET 11 9.772 1.655 1.082 79 HB3 MET 11 1HB MET 11 8.260 1.050 0.414 80 HG2 MET 11 2HG MET 11 10.939 -0.326 0.260 81 HG3 MET 11 1HG MET 11 9.604 -0.759 1.331 82 HE1 MET 11 3HE MET 11 11.119 -2.776 -0.722 83 HE2 MET 11 1HE MET 11 9.736 -3.694 -1.313 84 HE3 MET 11 2HE MET 11 9.854 -3.280 0.397 85 H LEU 12 H LEU 12 10.778 4.040 -0.869 86 HA LEU 12 HA LEU 12 8.394 5.640 -0.595 87 HB2 LEU 12 2HB LEU 12 11.318 6.369 -0.807 88 HB3 LEU 12 1HB LEU 12 10.050 7.575 -0.723 89 HG LEU 12 HG LEU 12 9.388 6.733 1.497 90 HD11 LEU 12 1HD1 LEU 12 11.753 4.879 1.226 91 HD12 LEU 12 2HD1 LEU 12 10.056 4.405 1.283 92 HD13 LEU 12 3HD1 LEU 12 10.812 5.140 2.695 93 HD21 LEU 12 3HD2 LEU 12 11.383 7.502 2.728 94 HD22 LEU 12 1HD2 LEU 12 10.966 8.563 1.383 95 HD23 LEU 12 2HD2 LEU 12 12.312 7.433 1.230 96 HA PRO 13 HA PRO 13 9.108 6.569 -5.171 97 HB2 PRO 13 2HB PRO 13 11.444 5.908 -6.412 98 HB3 PRO 13 1HB PRO 13 11.220 7.419 -5.528 99 HG2 PRO 13 2HG PRO 13 12.859 5.104 -4.831 100 HG3 PRO 13 1HG PRO 13 12.869 6.730 -4.135 101 HD2 PRO 13 2HD PRO 13 11.593 4.308 -3.123 102 HD3 PRO 13 1HD PRO 13 11.832 5.867 -2.311 103 HA PRO 14 HA PRO 14 7.287 2.595 -6.089 104 HB2 PRO 14 2HB PRO 14 7.442 3.709 -8.875 105 HB3 PRO 14 1HB PRO 14 6.100 2.886 -8.068 106 HG2 PRO 14 2HG PRO 14 6.100 5.536 -8.275 107 HG3 PRO 14 1HG PRO 14 5.556 4.752 -6.781 108 HD2 PRO 14 2HD PRO 14 8.084 6.226 -7.331 109 HD3 PRO 14 1HD PRO 14 7.173 6.065 -5.815 110 H GLU 15 H GLU 15 8.681 0.914 -5.885 111 HA GLU 15 HA GLU 15 10.187 0.108 -8.265 112 HB2 GLU 15 2HB GLU 15 11.867 1.166 -6.866 113 HB3 GLU 15 1HB GLU 15 11.349 0.231 -5.468 114 HG2 GLU 15 2HG GLU 15 12.027 -1.840 -6.676 115 HG3 GLU 15 1HG GLU 15 12.672 -0.826 -7.965 116 H GLN 16 H GLN 16 9.474 -1.851 -8.805 117 HA GLN 16 HA GLN 16 8.795 -4.021 -8.726 118 HB2 GLN 16 2HB GLN 16 11.116 -4.117 -7.753 119 HB3 GLN 16 1HB GLN 16 10.386 -4.123 -6.155 120 HG2 GLN 16 2HG GLN 16 9.252 -6.226 -6.671 121 HG3 GLN 16 1HG GLN 16 9.959 -6.216 -8.286 122 HE21 GLN 16 1HE2 GLN 16 12.160 -6.682 -8.521 123 HE22 GLN 16 2HE2 GLN 16 13.089 -7.391 -7.253 124 H TRP 17 H TRP 17 6.834 -2.334 -7.763 125 HA TRP 17 HA TRP 17 5.750 -3.323 -5.297 126 HB2 TRP 17 2HB TRP 17 4.668 -1.527 -7.463 127 HB3 TRP 17 1HB TRP 17 3.646 -2.082 -6.139 128 HD1 TRP 17 HD TRP 17 6.904 -0.052 -6.684 129 HE1 TRP 17 HE1 TRP 17 7.158 1.581 -4.709 130 HE3 TRP 17 HE3 TRP 17 2.914 -1.549 -3.859 131 HZ2 TRP 17 HZ2 TRP 17 5.848 2.169 -2.294 132 HZ3 TRP 17 HZ3 TRP 17 2.481 -0.398 -1.728 133 HH2 TRP 17 HH TRP 17 3.921 1.424 -0.961 134 H SER 18 H SER 18 5.391 -5.457 -5.311 135 HA SER 18 HA SER 18 3.394 -6.510 -7.223 136 HB2 SER 18 2HB SER 18 5.540 -7.634 -7.553 137 HB3 SER 18 1HB SER 18 5.655 -7.984 -5.831 138 HG SER 18 HG SER 18 4.902 -9.807 -6.895 139 H HIS 19 H HIS 19 2.527 -8.742 -6.054 140 HA HIS 19 HA HIS 19 0.615 -8.041 -4.231 141 HB2 HIS 19 2HB HIS 19 2.015 -10.718 -4.454 142 HB3 HIS 19 1HB HIS 19 0.508 -10.459 -3.588 143 HD1 HIS 19 HD1 HIS 19 1.879 -11.089 -6.942 144 HD2 HIS 19 HD2 HIS 19 -1.721 -9.818 -5.305 145 HE1 HIS 19 HE1 HIS 19 0.176 -11.385 -8.754 146 HE2 HIS 19 HE2 HIS 19 -2.017 -10.812 -7.672 147 H THR 20 H THR 20 3.750 -9.528 -3.350 148 HA THR 20 HA THR 20 3.400 -9.437 -0.566 149 HB THR 20 HB THR 20 5.988 -9.382 -2.143 150 HG1 THR 20 HG1 THR 20 5.556 -11.724 -0.999 151 HG21 THR 20 3HG2 THR 20 6.389 -8.649 0.150 152 HG22 THR 20 1HG2 THR 20 7.019 -10.280 -0.082 153 HG23 THR 20 2HG2 THR 20 5.493 -10.038 0.769 154 H THR 21 H THR 21 5.026 -7.100 -2.723 155 HA THR 21 HA THR 21 5.941 -5.311 -0.782 156 HB THR 21 HB THR 21 4.962 -4.555 -3.550 157 HG1 THR 21 HG1 THR 21 7.268 -4.773 -4.051 158 HG21 THR 21 3HG2 THR 21 5.297 -2.613 -2.109 159 HG22 THR 21 1HG2 THR 21 6.558 -2.687 -3.342 160 HG23 THR 21 2HG2 THR 21 6.912 -3.185 -1.687 161 H VAL 22 H VAL 22 2.869 -5.217 -2.596 162 HA VAL 22 HA VAL 22 1.780 -2.915 -1.474 163 HB VAL 22 HB VAL 22 0.358 -5.401 -2.453 164 HG11 VAL 22 1HG1 VAL 22 -0.776 -2.653 -1.896 165 HG12 VAL 22 2HG1 VAL 22 -1.147 -4.134 -1.014 166 HG13 VAL 22 3HG1 VAL 22 -1.636 -3.967 -2.701 167 HG21 VAL 22 3HG2 VAL 22 1.741 -4.323 -4.148 168 HG22 VAL 22 1HG2 VAL 22 0.964 -2.774 -3.821 169 HG23 VAL 22 2HG2 VAL 22 0.030 -4.102 -4.512 170 H ARG 23 H ARG 23 1.293 -6.297 -0.397 171 HA ARG 23 HA ARG 23 -0.383 -5.720 1.767 172 HB2 ARG 23 2HB ARG 23 -0.063 -7.984 0.839 173 HB3 ARG 23 1HB ARG 23 1.563 -8.028 1.501 174 HG2 ARG 23 2HG ARG 23 -0.770 -7.579 3.328 175 HG3 ARG 23 1HG ARG 23 -0.406 -9.205 2.756 176 HD2 ARG 23 2HD ARG 23 1.548 -9.338 3.952 177 HD3 ARG 23 1HD ARG 23 1.832 -7.599 3.899 178 HE ARG 23 HE ARG 23 -0.432 -8.341 5.497 179 HH11 ARG 23 1HH1 ARG 23 2.991 -7.951 5.484 180 HH12 ARG 23 2HH1 ARG 23 3.076 -7.655 7.186 181 HH21 ARG 23 1HH2 ARG 23 -0.309 -7.901 7.688 182 HH22 ARG 23 2HH2 ARG 23 1.234 -7.608 8.410 183 H ASN 24 H ASN 24 3.167 -5.847 1.635 184 HA ASN 24 HA ASN 24 3.384 -5.323 4.492 185 HB2 ASN 24 2HB ASN 24 5.518 -5.563 2.359 186 HB3 ASN 24 1HB ASN 24 5.830 -5.403 4.085 187 HD21 ASN 24 1HD2 ASN 24 6.581 -7.558 2.316 188 HD22 ASN 24 2HD2 ASN 24 5.853 -8.990 2.945 189 H ALA 25 H ALA 25 2.537 -3.355 2.098 190 HA ALA 25 HA ALA 25 4.187 -1.078 2.978 191 HB1 ALA 25 3HB ALA 25 2.385 -1.299 0.565 192 HB2 ALA 25 1HB ALA 25 4.135 -1.507 0.564 193 HB3 ALA 25 2HB ALA 25 3.434 0.062 0.961 194 H LEU 26 H LEU 26 0.747 -1.610 2.051 195 HA LEU 26 HA LEU 26 -0.142 0.855 3.025 196 HB2 LEU 26 2HB LEU 26 -2.327 0.167 2.596 197 HB3 LEU 26 1HB LEU 26 -1.355 -0.733 1.449 198 HG LEU 26 HG LEU 26 -2.519 -1.850 4.016 199 HD11 LEU 26 1HD1 LEU 26 -3.999 -3.122 2.528 200 HD12 LEU 26 2HD1 LEU 26 -3.337 -2.259 1.138 201 HD13 LEU 26 3HD1 LEU 26 -4.243 -1.382 2.373 202 HD21 LEU 26 3HD2 LEU 26 -1.806 -4.029 3.171 203 HD22 LEU 26 1HD2 LEU 26 -0.424 -2.960 3.406 204 HD23 LEU 26 2HD2 LEU 26 -1.045 -3.253 1.781 205 H LYS 27 H LYS 27 0.404 -2.115 4.758 206 HA LYS 27 HA LYS 27 -1.223 -1.554 7.005 207 HB2 LYS 27 2HB LYS 27 0.332 -3.268 8.154 208 HB3 LYS 27 1HB LYS 27 -0.673 -3.796 6.816 209 HG2 LYS 27 2HG LYS 27 1.449 -4.794 6.519 210 HG3 LYS 27 1HG LYS 27 1.318 -3.518 5.314 211 HD2 LYS 27 2HD LYS 27 3.534 -3.501 6.277 212 HD3 LYS 27 1HD LYS 27 2.669 -2.045 6.771 213 HE2 LYS 27 2HE LYS 27 2.184 -3.071 8.945 214 HE3 LYS 27 1HE LYS 27 3.024 -4.539 8.442 215 HZ1 LYS 27 3HZ LYS 27 4.484 -3.226 9.767 216 HZ2 LYS 27 1HZ LYS 27 4.220 -1.852 8.819 217 HZ3 LYS 27 2HZ LYS 27 5.042 -3.176 8.175 218 H ASP 28 H ASP 28 1.896 -0.324 6.111 219 HA ASP 28 HA ASP 28 2.519 0.626 8.776 220 HB2 ASP 28 2HB ASP 28 3.777 1.131 6.078 221 HB3 ASP 28 1HB ASP 28 4.299 1.982 7.531 222 H LEU 29 H LEU 29 0.892 1.861 5.937 223 HA LEU 29 HA LEU 29 0.691 4.557 6.944 224 HB2 LEU 29 2HB LEU 29 -0.761 3.135 4.701 225 HB3 LEU 29 1HB LEU 29 -1.021 4.819 5.106 226 HG LEU 29 HG LEU 29 0.436 4.741 3.215 227 HD11 LEU 29 1HD1 LEU 29 0.962 6.456 4.858 228 HD12 LEU 29 2HD1 LEU 29 2.421 5.898 4.042 229 HD13 LEU 29 3HD1 LEU 29 2.064 5.353 5.682 230 HD21 LEU 29 3HD2 LEU 29 2.235 2.910 4.809 231 HD22 LEU 29 1HD2 LEU 29 2.582 3.568 3.209 232 HD23 LEU 29 2HD2 LEU 29 1.239 2.448 3.429 233 H LEU 30 H LEU 30 -1.283 1.654 6.973 234 HA LEU 30 HA LEU 30 -3.629 2.906 8.056 235 HB2 LEU 30 2HB LEU 30 -3.584 0.848 6.607 236 HB3 LEU 30 1HB LEU 30 -2.937 -0.034 7.977 237 HG LEU 30 HG LEU 30 -5.013 0.469 9.251 238 HD11 LEU 30 1HD1 LEU 30 -5.652 2.535 8.146 239 HD12 LEU 30 2HD1 LEU 30 -6.961 1.358 8.055 240 HD13 LEU 30 3HD1 LEU 30 -5.950 1.662 6.642 241 HD21 LEU 30 3HD2 LEU 30 -4.784 -1.635 8.017 242 HD22 LEU 30 1HD2 LEU 30 -5.482 -0.873 6.586 243 HD23 LEU 30 2HD2 LEU 30 -6.458 -1.078 8.042 244 H LYS 31 H LYS 31 -1.008 3.056 9.609 245 HA LYS 31 HA LYS 31 -1.599 1.650 12.074 246 HB2 LYS 31 2HB LYS 31 0.527 3.673 11.345 247 HB3 LYS 31 1HB LYS 31 0.387 2.945 12.940 248 HG2 LYS 31 2HG LYS 31 0.870 0.769 12.073 249 HG3 LYS 31 1HG LYS 31 0.772 1.354 10.410 250 HD2 LYS 31 2HD LYS 31 3.100 1.079 11.109 251 HD3 LYS 31 1HD LYS 31 2.733 2.773 10.785 252 HE2 LYS 31 2HE LYS 31 2.408 3.100 13.240 253 HE3 LYS 31 1HE LYS 31 2.950 1.441 13.487 254 HZ1 LYS 31 3HZ LYS 31 5.064 2.039 12.441 255 HZ2 LYS 31 1HZ LYS 31 4.756 2.983 13.813 256 HZ3 LYS 31 2HZ LYS 31 4.535 3.637 12.273 257 H ASP 32 H ASP 32 -1.886 4.936 10.819 258 HA ASP 32 HA ASP 32 -2.668 6.051 13.376 259 HB2 ASP 32 2HB ASP 32 -2.725 7.290 10.612 260 HB3 ASP 32 1HB ASP 32 -2.910 8.152 12.137 261 H MET 33 H MET 33 -4.315 5.822 10.205 262 HA MET 33 HA MET 33 -6.895 6.312 11.428 263 HB2 MET 33 2HB MET 33 -7.778 6.158 9.125 264 HB3 MET 33 1HB MET 33 -6.457 7.307 9.260 265 HG2 MET 33 2HG MET 33 -6.197 4.498 8.207 266 HG3 MET 33 1HG MET 33 -6.349 5.945 7.213 267 HE1 MET 33 3HE MET 33 -4.599 8.059 8.805 268 HE2 MET 33 1HE MET 33 -4.474 7.845 7.057 269 HE3 MET 33 2HE MET 33 -3.018 7.848 8.054 270 H ASN 34 H ASN 34 -8.783 4.851 10.713 271 HA ASN 34 HA ASN 34 -8.088 2.121 11.492 272 HB2 ASN 34 2HB ASN 34 -10.788 3.462 11.192 273 HB3 ASN 34 1HB ASN 34 -10.536 1.817 11.768 274 HD21 ASN 34 1HD2 ASN 34 -10.361 5.163 12.543 275 HD22 ASN 34 2HD2 ASN 34 -9.979 4.972 14.213 276 H GLN 35 H GLN 35 -9.425 0.334 10.419 277 HA GLN 35 HA GLN 35 -8.437 0.030 7.830 278 HB2 GLN 35 2HB GLN 35 -10.681 -1.482 9.189 279 HB3 GLN 35 1HB GLN 35 -9.844 -2.013 7.734 280 HG2 GLN 35 2HG GLN 35 -7.759 -2.194 8.958 281 HG3 GLN 35 1HG GLN 35 -8.527 -1.555 10.410 282 HE21 GLN 35 1HE2 GLN 35 -10.094 -3.836 8.262 283 HE22 GLN 35 2HE2 GLN 35 -10.078 -5.164 9.360 284 H SER 36 H SER 36 -11.779 0.803 8.837 285 HA SER 36 HA SER 36 -12.930 0.845 6.273 286 HB2 SER 36 2HB SER 36 -14.278 0.849 8.331 287 HB3 SER 36 1HB SER 36 -13.721 2.479 8.705 288 HG SER 36 HG SER 36 -14.645 2.857 6.410 289 H SER 37 H SER 37 -10.826 3.148 7.789 290 HA SER 37 HA SER 37 -11.596 5.399 6.149 291 HB2 SER 37 2HB SER 37 -10.693 5.782 8.388 292 HB3 SER 37 1HB SER 37 -9.182 5.000 7.934 293 HG SER 37 HG SER 37 -9.354 6.791 6.153 294 H LEU 38 H LEU 38 -9.461 2.719 5.781 295 HA LEU 38 HA LEU 38 -7.616 3.908 3.950 296 HB2 LEU 38 2HB LEU 38 -7.227 1.824 5.307 297 HB3 LEU 38 1HB LEU 38 -8.333 0.981 4.246 298 HG LEU 38 HG LEU 38 -5.849 2.315 3.163 299 HD11 LEU 38 1HD1 LEU 38 -5.157 0.786 4.961 300 HD12 LEU 38 2HD1 LEU 38 -4.673 0.196 3.372 301 HD13 LEU 38 3HD1 LEU 38 -6.060 -0.520 4.193 302 HD21 LEU 38 3HD2 LEU 38 -6.081 0.629 1.394 303 HD22 LEU 38 1HD2 LEU 38 -7.522 1.637 1.519 304 HD23 LEU 38 2HD2 LEU 38 -7.531 0.002 2.179 305 H ALA 39 H ALA 39 -10.503 1.862 3.518 306 HA ALA 39 HA ALA 39 -10.411 1.760 0.696 307 HB1 ALA 39 3HB ALA 39 -12.791 1.403 2.518 308 HB2 ALA 39 1HB ALA 39 -11.645 0.144 2.057 309 HB3 ALA 39 2HB ALA 39 -12.681 0.883 0.836 310 H LYS 40 H LYS 40 -11.084 4.401 2.652 311 HA LYS 40 HA LYS 40 -13.148 5.731 1.304 312 HB2 LYS 40 2HB LYS 40 -10.759 6.764 2.834 313 HB3 LYS 40 1HB LYS 40 -11.970 7.843 2.156 314 HG2 LYS 40 2HG LYS 40 -12.599 5.625 4.096 315 HG3 LYS 40 1HG LYS 40 -12.276 7.292 4.576 316 HD2 LYS 40 2HD LYS 40 -14.441 6.566 2.602 317 HD3 LYS 40 1HD LYS 40 -14.725 6.597 4.341 318 HE2 LYS 40 2HE LYS 40 -15.436 8.693 3.379 319 HE3 LYS 40 1HE LYS 40 -14.014 8.973 4.376 320 HZ1 LYS 40 3HZ LYS 40 -12.662 9.152 2.443 321 HZ2 LYS 40 1HZ LYS 40 -14.009 10.147 2.211 322 HZ3 LYS 40 2HZ LYS 40 -13.921 8.653 1.430 323 H GLU 41 H GLU 41 -9.625 6.190 0.863 324 HA GLU 41 HA GLU 41 -10.187 7.538 -1.690 325 HB2 GLU 41 2HB GLU 41 -7.609 7.455 -0.105 326 HB3 GLU 41 1HB GLU 41 -7.922 8.439 -1.530 327 HG2 GLU 41 2HG GLU 41 -9.212 8.697 1.182 328 HG3 GLU 41 1HG GLU 41 -8.078 9.816 0.430 329 H CYS 42 H CYS 42 -8.647 4.692 -0.379 330 HA CYS 42 HA CYS 42 -7.192 4.068 -2.790 331 HB2 CYS 42 2HB CYS 42 -6.311 3.332 -0.647 332 HB3 CYS 42 1HB CYS 42 -7.770 2.398 -0.333 333 HG CYS 42 HG CYS 42 -5.501 0.768 -1.027 334 HA PRO 43 HA PRO 43 -10.543 2.068 -4.940 335 HB2 PRO 43 2HB PRO 43 -9.106 0.642 -6.757 336 HB3 PRO 43 1HB PRO 43 -9.313 2.394 -6.863 337 HG2 PRO 43 2HG PRO 43 -6.997 0.828 -5.770 338 HG3 PRO 43 1HG PRO 43 -6.981 2.237 -6.848 339 HD2 PRO 43 2HD PRO 43 -6.523 2.458 -4.193 340 HD3 PRO 43 1HD PRO 43 -7.356 3.729 -5.114 341 H LEU 44 H LEU 44 -8.172 0.387 -3.120 342 HA LEU 44 HA LEU 44 -9.216 -2.267 -3.611 343 HB2 LEU 44 2HB LEU 44 -7.304 -1.334 -1.467 344 HB3 LEU 44 1HB LEU 44 -7.634 -3.000 -1.906 345 HG LEU 44 HG LEU 44 -6.208 -0.926 -3.579 346 HD11 LEU 44 1HD1 LEU 44 -4.316 -2.478 -3.390 347 HD12 LEU 44 2HD1 LEU 44 -5.279 -3.518 -2.341 348 HD13 LEU 44 3HD1 LEU 44 -4.848 -1.891 -1.814 349 HD21 LEU 44 3HD2 LEU 44 -7.624 -2.298 -5.028 350 HD22 LEU 44 1HD2 LEU 44 -6.939 -3.763 -4.325 351 HD23 LEU 44 2HD2 LEU 44 -5.917 -2.675 -5.266 352 H SER 45 H SER 45 -11.049 -2.977 -2.720 353 HA SER 45 HA SER 45 -12.411 -1.716 -0.589 354 HB2 SER 45 2HB SER 45 -13.620 -3.089 -2.204 355 HB3 SER 45 1HB SER 45 -12.725 -4.522 -1.700 356 HG SER 45 HG SER 45 -14.963 -4.021 -0.779 357 H GLN 46 H GLN 46 -12.406 -2.036 1.581 358 HA GLN 46 HA GLN 46 -10.132 -2.938 2.873 359 HB2 GLN 46 2HB GLN 46 -11.948 -1.400 3.753 360 HB3 GLN 46 1HB GLN 46 -12.882 -2.837 4.134 361 HG2 GLN 46 2HG GLN 46 -10.110 -2.495 5.228 362 HG3 GLN 46 1HG GLN 46 -11.474 -1.674 5.975 363 HE21 GLN 46 1HE2 GLN 46 -9.940 -4.742 5.420 364 HE22 GLN 46 2HE2 GLN 46 -10.909 -5.640 6.534 365 H SER 47 H SER 47 -13.205 -4.683 2.430 366 HA SER 47 HA SER 47 -12.477 -7.023 3.820 367 HB2 SER 47 2HB SER 47 -14.320 -8.112 2.647 368 HB3 SER 47 1HB SER 47 -14.803 -6.492 3.145 369 HG SER 47 HG SER 47 -15.280 -7.248 0.900 370 H MET 48 H MET 48 -12.049 -6.108 0.428 371 HA MET 48 HA MET 48 -10.945 -8.622 -0.397 372 HB2 MET 48 2HB MET 48 -10.806 -5.915 -1.748 373 HB3 MET 48 1HB MET 48 -10.443 -7.463 -2.501 374 HG2 MET 48 2HG MET 48 -12.753 -8.168 -2.214 375 HG3 MET 48 1HG MET 48 -13.128 -6.651 -1.397 376 HE1 MET 48 3HE MET 48 -12.335 -8.430 -4.767 377 HE2 MET 48 1HE MET 48 -10.926 -7.376 -4.632 378 HE3 MET 48 2HE MET 48 -12.133 -7.080 -5.882 379 H ILE 49 H ILE 49 -9.687 -6.216 1.510 380 HA ILE 49 HA ILE 49 -6.899 -6.920 0.876 381 HB ILE 49 HB ILE 49 -7.978 -4.903 2.867 382 HG12 ILE 49 2HG1 ILE 49 -6.695 -4.434 0.157 383 HG13 ILE 49 1HG1 ILE 49 -8.415 -4.292 0.500 384 HG21 ILE 49 1HG2 ILE 49 -5.798 -5.771 3.535 385 HG22 ILE 49 2HG2 ILE 49 -5.661 -4.094 3.005 386 HG23 ILE 49 3HG2 ILE 49 -5.141 -5.403 1.940 387 HD11 ILE 49 3HD1 ILE 49 -7.359 -2.115 0.441 388 HD12 ILE 49 1HD1 ILE 49 -6.229 -2.608 1.702 389 HD13 ILE 49 2HD1 ILE 49 -7.949 -2.471 2.065 390 H SER 50 H SER 50 -9.369 -7.147 3.374 391 HA SER 50 HA SER 50 -7.885 -8.012 5.559 392 HB2 SER 50 2HB SER 50 -10.249 -7.360 5.713 393 HB3 SER 50 1HB SER 50 -10.717 -8.808 4.822 394 HG SER 50 HG SER 50 -10.567 -8.629 7.369 395 H SER 51 H SER 51 -9.601 -10.087 3.204 396 HA SER 51 HA SER 51 -8.795 -12.550 4.248 397 HB2 SER 51 2HB SER 51 -9.486 -11.817 1.392 398 HB3 SER 51 1HB SER 51 -9.320 -13.471 1.984 399 HG SER 51 HG SER 51 -10.997 -12.954 3.518 400 H ILE 52 H ILE 52 -6.942 -10.271 2.431 401 HA ILE 52 HA ILE 52 -4.935 -12.171 1.567 402 HB ILE 52 HB ILE 52 -4.863 -9.140 1.576 403 HG12 ILE 52 2HG1 ILE 52 -5.458 -11.097 -0.669 404 HG13 ILE 52 1HG1 ILE 52 -6.641 -10.073 0.138 405 HG21 ILE 52 1HG2 ILE 52 -3.042 -11.116 0.190 406 HG22 ILE 52 2HG2 ILE 52 -2.617 -10.109 1.575 407 HG23 ILE 52 3HG2 ILE 52 -2.983 -9.360 0.021 408 HD11 ILE 52 3HD1 ILE 52 -4.329 -9.139 -1.558 409 HD12 ILE 52 1HD1 ILE 52 -5.464 -8.087 -0.709 410 HD13 ILE 52 2HD1 ILE 52 -6.037 -9.142 -2.001 411 H VAL 53 H VAL 53 -4.957 -9.436 3.890 412 HA VAL 53 HA VAL 53 -2.412 -10.028 4.999 413 HB VAL 53 HB VAL 53 -2.986 -8.467 6.796 414 HG11 VAL 53 1HG1 VAL 53 -3.914 -7.521 4.082 415 HG12 VAL 53 2HG1 VAL 53 -2.252 -7.535 4.672 416 HG13 VAL 53 3HG1 VAL 53 -3.446 -6.478 5.424 417 HG21 VAL 53 3HG2 VAL 53 -5.307 -9.139 7.187 418 HG22 VAL 53 1HG2 VAL 53 -5.775 -8.465 5.627 419 HG23 VAL 53 2HG2 VAL 53 -5.195 -7.402 6.908 420 H ASN 54 H ASN 54 -5.585 -11.268 5.626 421 HA ASN 54 HA ASN 54 -5.436 -12.369 8.140 422 HB2 ASN 54 2HB ASN 54 -7.458 -12.540 6.898 423 HB3 ASN 54 1HB ASN 54 -6.667 -13.405 5.585 424 HD21 ASN 54 1HD2 ASN 54 -7.930 -13.644 8.809 425 HD22 ASN 54 2HD2 ASN 54 -7.973 -15.369 8.867 426 H SER 55 H SER 55 -4.155 -13.766 5.129 427 HA SER 55 HA SER 55 -2.313 -15.022 4.722 428 HB2 SER 55 2HB SER 55 -1.698 -14.653 7.663 429 HB3 SER 55 1HB SER 55 -0.575 -15.267 6.447 430 HG SER 55 HG SER 55 -1.482 -12.673 6.903 431 H THR 56 H THR 56 -4.866 -16.228 6.406 432 HA THR 56 HA THR 56 -3.625 -18.849 6.892 433 HB THR 56 HB THR 56 -5.632 -19.577 7.931 434 HG1 THR 56 HG1 THR 56 -7.208 -17.371 7.675 435 HG21 THR 56 3HG2 THR 56 -6.017 -17.889 9.665 436 HG22 THR 56 1HG2 THR 56 -5.221 -16.674 8.666 437 HG23 THR 56 2HG2 THR 56 -4.298 -18.040 9.293 438 H TYR 57 H TYR 57 -6.021 -17.365 4.752 439 HA TYR 57 HA TYR 57 -5.750 -19.701 2.966 440 HB2 TYR 57 2HB TYR 57 -8.126 -19.572 2.400 441 HB3 TYR 57 1HB TYR 57 -7.913 -19.845 4.123 442 HD1 TYR 57 HD2 TYR 57 -8.295 -17.940 5.720 443 HD2 TYR 57 HD1 TYR 57 -9.285 -17.649 1.591 444 HE1 TYR 57 HE2 TYR 57 -9.753 -16.024 6.213 445 HE2 TYR 57 HE1 TYR 57 -10.751 -15.736 2.072 446 HH TYR 57 HH TYR 57 -12.021 -14.837 4.015 447 H TYR 58 H TYR 58 -4.535 -16.930 2.993 448 HA TYR 58 HA TYR 58 -5.755 -15.272 1.094 449 HB2 TYR 58 2HB TYR 58 -3.701 -14.037 1.008 450 HB3 TYR 58 1HB TYR 58 -3.925 -14.584 2.662 451 HD1 TYR 58 HD1 TYR 58 -2.654 -16.792 3.318 452 HD2 TYR 58 HD2 TYR 58 -1.653 -14.385 -0.052 453 HE1 TYR 58 HE1 TYR 58 -0.398 -17.772 3.288 454 HE2 TYR 58 HE2 TYR 58 0.603 -15.359 -0.085 455 HH TYR 58 HH TYR 58 1.437 -18.129 1.695 456 H ALA 59 H ALA 59 -6.130 -15.602 -0.991 457 HA ALA 59 HA ALA 59 -4.643 -17.636 -2.465 458 HB1 ALA 59 3HB ALA 59 -7.038 -16.016 -3.345 459 HB2 ALA 59 1HB ALA 59 -7.113 -17.596 -2.565 460 HB3 ALA 59 2HB ALA 59 -6.367 -17.433 -4.155 461 H ASN 60 H ASN 60 -3.623 -17.233 -4.504 462 HA ASN 60 HA ASN 60 -2.327 -14.659 -4.657 463 HB2 ASN 60 2HB ASN 60 -1.212 -16.879 -5.184 464 HB3 ASN 60 1HB ASN 60 -2.151 -16.912 -6.672 465 HD21 ASN 60 1HD2 ASN 60 0.444 -15.377 -4.964 466 HD22 ASN 60 2HD2 ASN 60 1.087 -14.512 -6.313 467 H VAL 61 H VAL 61 -4.456 -13.558 -4.912 468 HA VAL 61 HA VAL 61 -6.052 -13.795 -7.214 469 HB VAL 61 HB VAL 61 -6.917 -11.529 -6.603 470 HG11 VAL 61 1HG1 VAL 61 -6.668 -13.498 -4.320 471 HG12 VAL 61 2HG1 VAL 61 -7.875 -13.546 -5.606 472 HG13 VAL 61 3HG1 VAL 61 -7.873 -12.215 -4.449 473 HG21 VAL 61 3HG2 VAL 61 -6.105 -10.476 -4.537 474 HG22 VAL 61 1HG2 VAL 61 -4.836 -10.553 -5.759 475 HG23 VAL 61 2HG2 VAL 61 -4.834 -11.694 -4.412 476 H SER 62 H SER 62 -6.414 -12.054 -8.835 477 HA SER 62 HA SER 62 -4.296 -11.868 -10.581 478 HB2 SER 62 2HB SER 62 -6.705 -10.035 -10.406 479 HB3 SER 62 1HB SER 62 -5.633 -10.164 -11.801 480 HG SER 62 HG SER 62 -7.001 -11.663 -12.373 481 H ALA 63 H ALA 63 -2.871 -10.272 -11.253 482 HA ALA 63 HA ALA 63 -1.598 -8.734 -9.304 483 HB1 ALA 63 3HB ALA 63 -0.319 -7.744 -11.132 484 HB2 ALA 63 1HB ALA 63 -1.490 -8.363 -12.298 485 HB3 ALA 63 2HB ALA 63 -0.505 -9.483 -11.359 486 H ALA 64 H ALA 64 -4.359 -7.951 -11.248 487 HA ALA 64 HA ALA 64 -4.350 -5.196 -11.341 488 HB1 ALA 64 3HB ALA 64 -6.079 -6.581 -12.376 489 HB2 ALA 64 1HB ALA 64 -6.785 -5.299 -11.395 490 HB3 ALA 64 2HB ALA 64 -6.741 -6.954 -10.784 491 H LYS 65 H LYS 65 -5.188 -7.254 -8.580 492 HA LYS 65 HA LYS 65 -6.190 -5.304 -6.826 493 HB2 LYS 65 2HB LYS 65 -4.567 -7.769 -6.131 494 HB3 LYS 65 1HB LYS 65 -5.602 -6.876 -5.024 495 HG2 LYS 65 2HG LYS 65 -6.667 -8.157 -7.530 496 HG3 LYS 65 1HG LYS 65 -6.511 -9.043 -6.014 497 HD2 LYS 65 2HD LYS 65 -8.001 -6.430 -6.115 498 HD3 LYS 65 1HD LYS 65 -8.783 -7.932 -6.608 499 HE2 LYS 65 2HE LYS 65 -9.359 -7.667 -4.346 500 HE3 LYS 65 1HE LYS 65 -8.068 -8.863 -4.338 501 HZ1 LYS 65 3HZ LYS 65 -6.519 -7.066 -3.751 502 HZ2 LYS 65 1HZ LYS 65 -7.736 -7.270 -2.592 503 HZ3 LYS 65 2HZ LYS 65 -7.814 -5.979 -3.684 504 H CYS 66 H CYS 66 -2.942 -5.990 -7.821 505 HA CYS 66 HA CYS 66 -1.753 -4.307 -5.738 506 HB2 CYS 66 2HB CYS 66 -0.550 -6.333 -6.154 507 HB3 CYS 66 1HB CYS 66 -0.561 -6.059 -7.892 508 HG CYS 66 HG CYS 66 0.921 -3.466 -6.710 509 H GLN 67 H GLN 67 -2.131 -4.422 -9.255 510 HA GLN 67 HA GLN 67 -0.574 -2.176 -9.907 511 HB2 GLN 67 2HB GLN 67 -2.953 -3.327 -11.387 512 HB3 GLN 67 1HB GLN 67 -1.769 -2.214 -12.065 513 HG2 GLN 67 2HG GLN 67 -0.014 -3.868 -11.787 514 HG3 GLN 67 1HG GLN 67 -1.151 -4.979 -11.026 515 HE21 GLN 67 1HE2 GLN 67 0.447 -5.381 -13.401 516 HE22 GLN 67 2HE2 GLN 67 -0.661 -5.706 -14.685 517 H GLU 68 H GLU 68 -4.062 -2.438 -9.225 518 HA GLU 68 HA GLU 68 -4.748 0.248 -9.655 519 HB2 GLU 68 2HB GLU 68 -5.927 -1.782 -7.744 520 HB3 GLU 68 1HB GLU 68 -6.660 -0.223 -8.089 521 HG2 GLU 68 2HG GLU 68 -6.118 -2.348 -10.158 522 HG3 GLU 68 1HG GLU 68 -7.662 -2.119 -9.339 523 H PHE 69 H PHE 69 -3.467 -1.363 -6.765 524 HA PHE 69 HA PHE 69 -3.615 0.883 -5.041 525 HB2 PHE 69 2HB PHE 69 -3.293 -1.457 -4.252 526 HB3 PHE 69 1HB PHE 69 -1.664 -1.438 -4.919 527 HD1 PHE 69 HD2 PHE 69 -3.869 0.180 -2.411 528 HD2 PHE 69 HD1 PHE 69 0.136 -0.545 -3.679 529 HE1 PHE 69 HE2 PHE 69 -3.035 1.141 -0.308 530 HE2 PHE 69 HE1 PHE 69 0.973 0.416 -1.572 531 HZ PHE 69 HZ PHE 69 -0.610 1.261 0.113 532 H GLY 70 H GLY 70 -1.015 -0.348 -7.149 533 HA2 GLY 70 2HA GLY 70 0.952 1.567 -6.539 534 HA3 GLY 70 1HA GLY 70 0.815 0.714 -8.069 535 H ARG 71 H ARG 71 -1.661 1.663 -8.934 536 HA ARG 71 HA ARG 71 -1.124 4.162 -10.081 537 HB2 ARG 71 2HB ARG 71 -2.755 2.654 -11.051 538 HB3 ARG 71 1HB ARG 71 -3.754 2.735 -9.605 539 HG2 ARG 71 2HG ARG 71 -4.206 5.104 -10.054 540 HG3 ARG 71 1HG ARG 71 -3.205 5.014 -11.507 541 HD2 ARG 71 2HD ARG 71 -4.719 3.398 -12.493 542 HD3 ARG 71 1HD ARG 71 -5.681 3.355 -11.016 543 HE ARG 71 HE ARG 71 -6.451 5.549 -11.488 544 HH11 ARG 71 1HH1 ARG 71 -4.590 4.166 -14.042 545 HH12 ARG 71 2HH1 ARG 71 -5.177 5.292 -15.211 546 HH21 ARG 71 1HH2 ARG 71 -7.197 6.965 -12.984 547 HH22 ARG 71 2HH2 ARG 71 -6.642 6.870 -14.619 548 H TRP 72 H TRP 72 -3.168 3.333 -7.275 549 HA TRP 72 HA TRP 72 -3.934 5.965 -6.617 550 HB2 TRP 72 2HB TRP 72 -5.099 4.013 -5.723 551 HB3 TRP 72 1HB TRP 72 -3.660 3.539 -4.827 552 HD1 TRP 72 HD TRP 72 -6.218 6.452 -4.921 553 HE1 TRP 72 HE1 TRP 72 -6.428 7.400 -2.546 554 HE3 TRP 72 HE3 TRP 72 -2.632 3.638 -2.598 555 HZ2 TRP 72 HZ2 TRP 72 -5.239 7.020 -0.025 556 HZ3 TRP 72 HZ3 TRP 72 -2.228 3.998 -0.198 557 HH2 TRP 72 HH TRP 72 -3.506 5.656 1.062 558 H TYR 73 H TYR 73 -1.213 3.984 -5.495 559 HA TYR 73 HA TYR 73 -0.152 5.561 -3.504 560 HB2 TYR 73 2HB TYR 73 0.679 3.316 -4.117 561 HB3 TYR 73 1HB TYR 73 1.390 3.982 -5.583 562 HD1 TYR 73 HD1 TYR 73 1.598 3.975 -1.885 563 HD2 TYR 73 HD2 TYR 73 3.520 5.074 -5.526 564 HE1 TYR 73 HE1 TYR 73 3.666 4.442 -0.644 565 HE2 TYR 73 HE2 TYR 73 5.592 5.545 -4.290 566 HH TYR 73 HH TYR 73 6.226 4.495 -1.266 567 H LYS 74 H LYS 74 0.457 5.833 -7.010 568 HA LYS 74 HA LYS 74 2.134 8.139 -6.715 569 HB2 LYS 74 2HB LYS 74 2.441 6.703 -8.641 570 HB3 LYS 74 1HB LYS 74 0.785 6.989 -9.166 571 HG2 LYS 74 2HG LYS 74 1.246 9.240 -9.738 572 HG3 LYS 74 1HG LYS 74 2.794 9.217 -8.897 573 HD2 LYS 74 2HD LYS 74 2.129 7.608 -11.367 574 HD3 LYS 74 1HD LYS 74 3.038 9.120 -11.351 575 HE2 LYS 74 2HE LYS 74 4.671 7.981 -9.789 576 HE3 LYS 74 1HE LYS 74 3.827 6.472 -10.139 577 HZ1 LYS 74 3HZ LYS 74 5.714 6.675 -11.567 578 HZ2 LYS 74 1HZ LYS 74 5.234 8.212 -12.087 579 HZ3 LYS 74 2HZ LYS 74 4.322 6.850 -12.506 580 H HIS 75 H HIS 75 -1.309 7.669 -7.494 581 HA HIS 75 HA HIS 75 -1.839 10.429 -7.989 582 HB2 HIS 75 2HB HIS 75 -3.585 8.053 -7.395 583 HB3 HIS 75 1HB HIS 75 -4.276 9.673 -7.430 584 HD1 HIS 75 HD1 HIS 75 -5.227 10.247 -9.620 585 HD2 HIS 75 HD2 HIS 75 -2.034 7.618 -9.998 586 HE1 HIS 75 HE1 HIS 75 -5.018 9.799 -12.078 587 HE2 HIS 75 HE2 HIS 75 -2.937 8.403 -12.295 588 H PHE 76 H PHE 76 -1.286 8.696 -5.100 589 HA PHE 76 HA PHE 76 -2.624 10.578 -3.357 590 HB2 PHE 76 2HB PHE 76 -2.352 8.197 -2.723 591 HB3 PHE 76 1HB PHE 76 -0.604 8.407 -2.707 592 HD1 PHE 76 HD1 PHE 76 -3.739 9.567 -1.093 593 HD2 PHE 76 HD2 PHE 76 0.489 9.158 -0.772 594 HE1 PHE 76 HE1 PHE 76 -3.860 10.236 1.271 595 HE2 PHE 76 HE2 PHE 76 0.375 9.826 1.593 596 HZ PHE 76 HZ PHE 76 -1.800 10.367 2.619 597 H LYS 77 H LYS 77 0.820 9.737 -3.957 598 HA LYS 77 HA LYS 77 1.646 12.225 -2.661 599 HB2 LYS 77 2HB LYS 77 3.289 9.926 -3.735 600 HB3 LYS 77 1HB LYS 77 3.952 11.335 -2.921 601 HG2 LYS 77 2HG LYS 77 2.530 10.701 -0.929 602 HG3 LYS 77 1HG LYS 77 2.208 9.174 -1.757 603 HD2 LYS 77 2HD LYS 77 4.935 10.246 -0.989 604 HD3 LYS 77 1HD LYS 77 4.067 8.952 -0.167 605 HE2 LYS 77 2HE LYS 77 4.214 7.548 -2.139 606 HE3 LYS 77 1HE LYS 77 4.956 8.858 -3.054 607 HZ1 LYS 77 3HZ LYS 77 6.184 7.729 -0.606 608 HZ2 LYS 77 1HZ LYS 77 6.907 8.724 -1.763 609 HZ3 LYS 77 2HZ LYS 77 6.513 7.122 -2.148 610 H LYS 78 H LYS 78 2.077 10.639 -5.830 611 HA LYS 78 HA LYS 78 2.980 11.327 -7.794 612 HB2 LYS 78 2HB LYS 78 0.950 12.718 -7.817 613 HB3 LYS 78 1HB LYS 78 1.806 13.994 -6.963 614 HG2 LYS 78 2HG LYS 78 3.256 14.371 -8.844 615 HG3 LYS 78 1HG LYS 78 2.602 12.965 -9.684 616 HD2 LYS 78 2HD LYS 78 1.653 15.007 -10.604 617 HD3 LYS 78 1HD LYS 78 0.399 14.068 -9.796 618 HE2 LYS 78 2HE LYS 78 0.127 16.405 -9.250 619 HE3 LYS 78 1HE LYS 78 0.632 15.524 -7.811 620 HZ1 LYS 78 3HZ LYS 78 2.869 16.328 -8.121 621 HZ2 LYS 78 1HZ LYS 78 1.799 17.635 -8.072 622 HZ3 LYS 78 2HZ LYS 78 2.436 17.117 -9.549 623 H THR 79 H THR 79 5.157 11.065 -7.498 624 HA THR 79 HA THR 79 6.660 13.065 -5.984 625 HB THR 79 HB THR 79 7.648 10.451 -7.172 626 HG1 THR 79 HG1 THR 79 6.716 11.083 -4.539 627 HG21 THR 79 3HG2 THR 79 9.439 12.086 -6.702 628 HG22 THR 79 1HG2 THR 79 9.519 10.705 -5.608 629 HG23 THR 79 2HG2 THR 79 8.857 12.241 -5.044 630 H LYS 80 H LYS 80 6.497 14.767 -7.539 631 HA LYS 80 HA LYS 80 7.416 16.141 -9.097 632 HB2 LYS 80 2HB LYS 80 9.569 15.288 -8.245 633 HB3 LYS 80 1HB LYS 80 9.501 13.961 -9.394 634 HG2 LYS 80 2HG LYS 80 9.696 15.501 -11.245 635 HG3 LYS 80 1HG LYS 80 9.636 16.878 -10.142 636 HD2 LYS 80 2HD LYS 80 11.726 16.139 -9.101 637 HD3 LYS 80 1HD LYS 80 11.776 14.743 -10.181 638 HE2 LYS 80 2HE LYS 80 13.253 16.541 -10.950 639 HE3 LYS 80 1HE LYS 80 11.964 16.214 -12.108 640 HZ1 LYS 80 3HZ LYS 80 10.780 18.138 -11.320 641 HZ2 LYS 80 1HZ LYS 80 12.349 18.589 -11.759 642 HZ3 LYS 80 2HZ LYS 80 11.942 18.427 -10.130 643 H ASP 81 H ASP 81 6.034 13.232 -9.823 644 HA ASP 81 HA ASP 81 6.507 12.769 -12.526 645 HB2 ASP 81 2HB ASP 81 3.976 12.315 -10.926 646 HB3 ASP 81 1HB ASP 81 4.287 11.630 -12.518 647 H MET 82 H MET 82 6.112 13.937 -14.289 648 HA MET 82 HA MET 82 3.755 15.726 -14.338 649 HB2 MET 82 2HB MET 82 6.335 15.996 -15.912 650 HB3 MET 82 1HB MET 82 4.945 17.064 -16.039 651 HG2 MET 82 2HG MET 82 5.237 17.707 -13.688 652 HG3 MET 82 1HG MET 82 6.656 16.666 -13.594 653 HE1 MET 82 3HE MET 82 5.523 18.963 -16.617 654 HE2 MET 82 1HE MET 82 6.403 20.446 -16.246 655 HE3 MET 82 2HE MET 82 5.102 19.905 -15.187 656 H MET 83 H MET 83 2.213 14.462 -15.250 657 HA MET 83 HA MET 83 2.814 12.569 -17.324 658 HB2 MET 83 2HB MET 83 0.338 12.145 -17.315 659 HB3 MET 83 1HB MET 83 1.139 11.918 -15.771 660 HG2 MET 83 2HG MET 83 -0.461 14.349 -16.553 661 HG3 MET 83 1HG MET 83 -1.055 13.013 -15.573 662 HE1 MET 83 3HE MET 83 -0.742 15.909 -12.951 663 HE2 MET 83 1HE MET 83 -1.786 14.634 -13.583 664 HE3 MET 83 2HE MET 83 -1.311 15.980 -14.618 Start of MODEL 3 1 H1 MET 1 1H MET 1 23.964 -12.600 10.861 2 H2 MET 1 2H MET 1 24.663 -13.546 9.645 3 H3 MET 1 3H MET 1 23.080 -13.854 10.153 4 HA MET 1 HA MET 1 22.342 -11.730 9.309 5 HB2 MET 1 2HB MET 1 25.188 -11.466 8.295 6 HB3 MET 1 1HB MET 1 23.873 -10.342 7.974 7 HG2 MET 1 2HG MET 1 25.351 -9.479 9.692 8 HG3 MET 1 1HG MET 1 23.746 -9.800 10.354 9 HE1 MET 1 3HE MET 1 24.668 -9.691 12.834 10 HE2 MET 1 1HE MET 1 26.280 -9.330 12.219 11 HE3 MET 1 2HE MET 1 26.059 -10.616 13.405 12 H GLY 2 H GLY 2 20.996 -12.570 7.784 13 HA2 GLY 2 2HA GLY 2 22.213 -13.889 5.432 14 HA3 GLY 2 1HA GLY 2 20.983 -14.733 6.353 15 H HIS 3 H HIS 3 20.368 -11.382 6.189 16 HA HIS 3 HA HIS 3 18.016 -11.700 4.689 17 HB2 HIS 3 2HB HIS 3 17.977 -9.199 4.574 18 HB3 HIS 3 1HB HIS 3 18.200 -9.840 6.196 19 HD1 HIS 3 HD1 HIS 3 19.843 -7.729 3.613 20 HD2 HIS 3 HD2 HIS 3 20.780 -9.385 7.306 21 HE1 HIS 3 HE1 HIS 3 21.906 -6.533 4.383 22 HE2 HIS 3 HE2 HIS 3 22.550 -7.670 6.528 23 H HIS 4 H HIS 4 18.279 -12.656 2.700 24 HA HIS 4 HA HIS 4 19.887 -11.184 0.693 25 HB2 HIS 4 2HB HIS 4 19.036 -14.091 0.608 26 HB3 HIS 4 1HB HIS 4 20.071 -13.271 -0.555 27 HD1 HIS 4 HD1 HIS 4 20.357 -15.574 2.048 28 HD2 HIS 4 HD2 HIS 4 22.471 -12.132 1.065 29 HE1 HIS 4 HE1 HIS 4 22.579 -15.799 3.190 30 HE2 HIS 4 HE2 HIS 4 23.894 -13.790 2.450 31 H HIS 5 H HIS 5 18.576 -9.908 -0.510 32 HA HIS 5 HA HIS 5 16.173 -11.129 -1.699 33 HB2 HIS 5 2HB HIS 5 16.316 -8.416 -0.377 34 HB3 HIS 5 1HB HIS 5 15.042 -8.859 -1.509 35 HD1 HIS 5 HD1 HIS 5 13.493 -10.897 -0.760 36 HD2 HIS 5 HD2 HIS 5 15.906 -9.272 2.207 37 HE1 HIS 5 HE1 HIS 5 12.514 -11.688 1.406 38 HE2 HIS 5 HE2 HIS 5 13.841 -10.494 3.176 39 H HIS 6 H HIS 6 18.821 -8.876 -1.969 40 HA HIS 6 HA HIS 6 19.776 -7.773 -3.696 41 HB2 HIS 6 2HB HIS 6 18.203 -9.740 -5.379 42 HB3 HIS 6 1HB HIS 6 19.493 -8.706 -5.982 43 HD1 HIS 6 HD1 HIS 6 21.928 -9.191 -4.940 44 HD2 HIS 6 HD2 HIS 6 19.047 -12.115 -4.289 45 HE1 HIS 6 HE1 HIS 6 23.201 -11.255 -4.293 46 HE2 HIS 6 HE2 HIS 6 21.437 -12.975 -3.789 47 H HIS 7 H HIS 7 19.023 -6.813 -6.099 48 HA HIS 7 HA HIS 7 17.893 -5.149 -7.143 49 HB2 HIS 7 2HB HIS 7 15.521 -5.865 -5.397 50 HB3 HIS 7 1HB HIS 7 15.488 -4.950 -6.902 51 HD1 HIS 7 HD1 HIS 7 16.287 -6.393 -9.088 52 HD2 HIS 7 HD2 HIS 7 15.164 -8.552 -5.718 53 HE1 HIS 7 HE1 HIS 7 15.844 -8.726 -9.899 54 HE2 HIS 7 HE2 HIS 7 14.984 -9.955 -7.885 55 H HIS 8 H HIS 8 17.623 -2.906 -6.883 56 HA HIS 8 HA HIS 8 17.962 -1.942 -4.108 57 HB2 HIS 8 2HB HIS 8 19.541 -1.025 -6.521 58 HB3 HIS 8 1HB HIS 8 19.693 -0.388 -4.886 59 HD1 HIS 8 HD1 HIS 8 20.558 -3.367 -6.986 60 HD2 HIS 8 HD2 HIS 8 21.164 -1.979 -3.117 61 HE1 HIS 8 HE1 HIS 8 22.287 -4.889 -5.986 62 HE2 HIS 8 HE2 HIS 8 22.723 -3.960 -3.693 63 H SER 9 H SER 9 16.668 -0.345 -3.527 64 HA SER 9 HA SER 9 15.796 1.713 -3.388 65 HB2 SER 9 2HB SER 9 16.470 3.481 -4.951 66 HB3 SER 9 1HB SER 9 17.839 2.521 -4.399 67 HG SER 9 HG SER 9 18.062 2.767 -6.576 68 H HIS 10 H HIS 10 15.308 0.747 -6.831 69 HA HIS 10 HA HIS 10 13.021 2.422 -7.069 70 HB2 HIS 10 2HB HIS 10 12.723 1.363 -9.297 71 HB3 HIS 10 1HB HIS 10 14.339 1.996 -9.017 72 HD1 HIS 10 HD1 HIS 10 16.240 0.422 -9.342 73 HD2 HIS 10 HD2 HIS 10 12.592 -1.548 -9.140 74 HE1 HIS 10 HE1 HIS 10 16.727 -1.960 -9.953 75 HE2 HIS 10 HE2 HIS 10 14.469 -3.052 -10.074 76 H MET 11 H MET 11 12.553 0.605 -4.900 77 HA MET 11 HA MET 11 10.149 -0.785 -5.858 78 HB2 MET 11 2HB MET 11 11.524 -0.790 -3.162 79 HB3 MET 11 1HB MET 11 10.008 -1.621 -3.491 80 HG2 MET 11 2HG MET 11 11.082 -3.074 -5.069 81 HG3 MET 11 1HG MET 11 12.594 -2.171 -4.939 82 HE1 MET 11 3HE MET 11 13.816 -4.549 -4.523 83 HE2 MET 11 1HE MET 11 12.260 -5.373 -4.593 84 HE3 MET 11 2HE MET 11 13.348 -5.661 -3.236 85 H LEU 12 H LEU 12 11.240 1.916 -3.899 86 HA LEU 12 HA LEU 12 8.578 2.670 -3.068 87 HB2 LEU 12 2HB LEU 12 10.543 3.130 -1.654 88 HB3 LEU 12 1HB LEU 12 11.183 4.203 -2.879 89 HG LEU 12 HG LEU 12 8.486 4.787 -1.681 90 HD11 LEU 12 1HD1 LEU 12 11.141 5.491 -0.423 91 HD12 LEU 12 2HD1 LEU 12 9.922 4.406 0.246 92 HD13 LEU 12 3HD1 LEU 12 9.570 6.123 0.071 93 HD21 LEU 12 3HD2 LEU 12 9.152 7.111 -2.121 94 HD22 LEU 12 1HD2 LEU 12 9.222 6.132 -3.586 95 HD23 LEU 12 2HD2 LEU 12 10.707 6.548 -2.734 96 HA PRO 13 HA PRO 13 9.155 5.852 -6.757 97 HB2 PRO 13 2HB PRO 13 11.260 4.475 -8.332 98 HB3 PRO 13 1HB PRO 13 11.052 6.198 -8.000 99 HG2 PRO 13 2HG PRO 13 13.001 4.793 -6.826 100 HG3 PRO 13 1HG PRO 13 12.134 6.073 -5.954 101 HD2 PRO 13 2HD PRO 13 11.774 3.094 -5.794 102 HD3 PRO 13 1HD PRO 13 11.811 4.295 -4.486 103 HA PRO 14 HA PRO 14 6.384 2.882 -8.548 104 HB2 PRO 14 2HB PRO 14 5.797 4.966 -10.574 105 HB3 PRO 14 1HB PRO 14 4.715 4.176 -9.421 106 HG2 PRO 14 2HG PRO 14 5.475 6.717 -9.073 107 HG3 PRO 14 1HG PRO 14 5.295 5.619 -7.689 108 HD2 PRO 14 2HD PRO 14 7.799 6.493 -9.103 109 HD3 PRO 14 1HD PRO 14 7.487 6.335 -7.359 110 H GLU 15 H GLU 15 7.785 1.332 -9.443 111 HA GLU 15 HA GLU 15 7.941 1.492 -12.372 112 HB2 GLU 15 2HB GLU 15 10.186 2.054 -11.611 113 HB3 GLU 15 1HB GLU 15 10.240 0.608 -10.610 114 HG2 GLU 15 2HG GLU 15 10.201 -0.809 -12.554 115 HG3 GLU 15 1HG GLU 15 9.962 0.579 -13.611 116 H GLN 16 H GLN 16 8.637 -0.764 -9.667 117 HA GLN 16 HA GLN 16 6.773 -2.682 -10.858 118 HB2 GLN 16 2HB GLN 16 8.973 -3.259 -11.801 119 HB3 GLN 16 1HB GLN 16 9.640 -3.389 -10.177 120 HG2 GLN 16 2HG GLN 16 8.163 -5.269 -9.701 121 HG3 GLN 16 1HG GLN 16 7.443 -5.124 -11.305 122 HE21 GLN 16 1HE2 GLN 16 8.051 -7.212 -11.890 123 HE22 GLN 16 2HE2 GLN 16 9.696 -7.626 -12.237 124 H TRP 17 H TRP 17 5.363 -2.644 -9.171 125 HA TRP 17 HA TRP 17 6.328 -2.977 -6.437 126 HB2 TRP 17 2HB TRP 17 3.554 -2.492 -7.552 127 HB3 TRP 17 1HB TRP 17 3.894 -2.712 -5.839 128 HD1 TRP 17 HD TRP 17 4.462 -0.194 -8.697 129 HE1 TRP 17 HE1 TRP 17 5.015 2.092 -7.654 130 HE3 TRP 17 HE3 TRP 17 4.838 -1.593 -3.790 131 HZ2 TRP 17 HZ2 TRP 17 5.540 3.166 -5.098 132 HZ3 TRP 17 HZ3 TRP 17 5.369 0.123 -2.109 133 HH2 TRP 17 HH TRP 17 5.714 2.456 -2.752 134 H SER 18 H SER 18 6.945 -5.064 -6.094 135 HA SER 18 HA SER 18 5.595 -7.353 -7.091 136 HB2 SER 18 2HB SER 18 7.424 -7.102 -4.680 137 HB3 SER 18 1HB SER 18 6.941 -8.618 -5.438 138 HG SER 18 HG SER 18 7.889 -7.568 -7.428 139 H HIS 19 H HIS 19 4.052 -8.692 -6.173 140 HA HIS 19 HA HIS 19 1.958 -7.626 -4.791 141 HB2 HIS 19 2HB HIS 19 1.263 -9.969 -4.254 142 HB3 HIS 19 1HB HIS 19 1.710 -9.721 -5.936 143 HD1 HIS 19 HD1 HIS 19 3.280 -11.084 -2.740 144 HD2 HIS 19 HD2 HIS 19 3.500 -11.543 -6.864 145 HE1 HIS 19 HE1 HIS 19 4.875 -12.980 -3.121 146 HE2 HIS 19 HE2 HIS 19 4.865 -13.343 -5.607 147 H THR 20 H THR 20 4.773 -9.198 -3.330 148 HA THR 20 HA THR 20 3.820 -9.248 -0.662 149 HB THR 20 HB THR 20 6.704 -9.071 -1.587 150 HG1 THR 20 HG1 THR 20 6.616 -11.341 -1.599 151 HG21 THR 20 3HG2 THR 20 6.452 -8.659 0.817 152 HG22 THR 20 1HG2 THR 20 7.192 -10.236 0.539 153 HG23 THR 20 2HG2 THR 20 5.489 -10.127 0.982 154 H THR 21 H THR 21 5.759 -6.866 -2.455 155 HA THR 21 HA THR 21 6.234 -5.066 -0.344 156 HB THR 21 HB THR 21 5.972 -4.389 -3.290 157 HG1 THR 21 HG1 THR 21 8.496 -4.726 -2.226 158 HG21 THR 21 3HG2 THR 21 7.497 -3.012 -1.065 159 HG22 THR 21 1HG2 THR 21 6.023 -2.412 -1.831 160 HG23 THR 21 2HG2 THR 21 7.512 -2.549 -2.766 161 H VAL 22 H VAL 22 3.590 -5.275 -2.698 162 HA VAL 22 HA VAL 22 2.186 -2.955 -2.035 163 HB VAL 22 HB VAL 22 1.046 -5.631 -2.888 164 HG11 VAL 22 1HG1 VAL 22 -0.890 -4.337 -3.700 165 HG12 VAL 22 2HG1 VAL 22 -0.205 -2.877 -2.985 166 HG13 VAL 22 3HG1 VAL 22 -0.702 -4.217 -1.951 167 HG21 VAL 22 3HG2 VAL 22 1.056 -4.649 -5.157 168 HG22 VAL 22 1HG2 VAL 22 2.679 -4.811 -4.482 169 HG23 VAL 22 2HG2 VAL 22 1.894 -3.233 -4.521 170 H ARG 23 H ARG 23 1.769 -6.250 -0.683 171 HA ARG 23 HA ARG 23 -0.162 -5.617 1.255 172 HB2 ARG 23 2HB ARG 23 0.418 -7.923 0.614 173 HB3 ARG 23 1HB ARG 23 2.003 -7.739 1.358 174 HG2 ARG 23 2HG ARG 23 0.876 -7.399 3.551 175 HG3 ARG 23 1HG ARG 23 -0.670 -7.726 2.761 176 HD2 ARG 23 2HD ARG 23 0.122 -9.961 2.138 177 HD3 ARG 23 1HD ARG 23 1.676 -9.632 2.906 178 HE ARG 23 HE ARG 23 -0.787 -9.543 4.498 179 HH11 ARG 23 1HH1 ARG 23 2.247 -11.001 3.796 180 HH12 ARG 23 2HH1 ARG 23 2.274 -11.914 5.265 181 HH21 ARG 23 1HH2 ARG 23 -0.760 -10.768 6.370 182 HH22 ARG 23 2HH2 ARG 23 0.575 -11.816 6.683 183 H ASN 24 H ASN 24 3.379 -5.601 1.446 184 HA ASN 24 HA ASN 24 3.645 -5.008 4.179 185 HB2 ASN 24 2HB ASN 24 5.422 -5.724 2.406 186 HB3 ASN 24 1HB ASN 24 5.582 -4.003 2.092 187 HD21 ASN 24 1HD2 ASN 24 5.119 -3.343 4.962 188 HD22 ASN 24 2HD2 ASN 24 6.594 -3.753 5.748 189 H ALA 25 H ALA 25 3.262 -2.889 1.365 190 HA ALA 25 HA ALA 25 3.631 -0.427 2.742 191 HB1 ALA 25 3HB ALA 25 2.682 0.612 0.738 192 HB2 ALA 25 1HB ALA 25 2.159 -0.971 0.157 193 HB3 ALA 25 2HB ALA 25 3.879 -0.613 0.316 194 H LEU 26 H LEU 26 0.660 -2.118 1.685 195 HA LEU 26 HA LEU 26 -1.249 -0.343 2.610 196 HB2 LEU 26 2HB LEU 26 -1.347 -3.359 2.540 197 HB3 LEU 26 1HB LEU 26 -2.749 -2.343 2.818 198 HG LEU 26 HG LEU 26 -1.074 -2.343 0.297 199 HD11 LEU 26 1HD1 LEU 26 -2.972 -3.435 -0.756 200 HD12 LEU 26 2HD1 LEU 26 -3.833 -3.466 0.784 201 HD13 LEU 26 3HD1 LEU 26 -2.361 -4.415 0.578 202 HD21 LEU 26 3HD2 LEU 26 -3.656 -0.912 0.951 203 HD22 LEU 26 1HD2 LEU 26 -2.865 -0.941 -0.625 204 HD23 LEU 26 2HD2 LEU 26 -2.075 -0.158 0.743 205 H LYS 27 H LYS 27 0.498 -2.807 4.438 206 HA LYS 27 HA LYS 27 -0.987 -2.767 6.807 207 HB2 LYS 27 2HB LYS 27 1.104 -4.209 5.964 208 HB3 LYS 27 1HB LYS 27 1.986 -3.070 6.969 209 HG2 LYS 27 2HG LYS 27 -0.273 -4.849 7.897 210 HG3 LYS 27 1HG LYS 27 1.445 -5.144 8.156 211 HD2 LYS 27 2HD LYS 27 1.593 -3.077 9.482 212 HD3 LYS 27 1HD LYS 27 -0.129 -2.789 9.217 213 HE2 LYS 27 2HE LYS 27 -0.627 -4.925 10.365 214 HE3 LYS 27 1HE LYS 27 1.095 -5.127 10.688 215 HZ1 LYS 27 3HZ LYS 27 -0.545 -2.844 11.634 216 HZ2 LYS 27 1HZ LYS 27 1.076 -3.137 12.011 217 HZ3 LYS 27 2HZ LYS 27 -0.128 -4.182 12.574 218 H ASP 28 H ASP 28 1.533 -0.577 5.659 219 HA ASP 28 HA ASP 28 2.010 0.721 8.144 220 HB2 ASP 28 2HB ASP 28 3.548 0.708 6.132 221 HB3 ASP 28 1HB ASP 28 2.475 1.894 5.393 222 H LEU 29 H LEU 29 -0.045 1.552 5.354 223 HA LEU 29 HA LEU 29 -1.112 3.944 6.445 224 HB2 LEU 29 2HB LEU 29 -2.177 2.036 4.355 225 HB3 LEU 29 1HB LEU 29 -3.013 3.510 4.799 226 HG LEU 29 HG LEU 29 -1.785 3.877 2.757 227 HD11 LEU 29 1HD1 LEU 29 -0.444 5.254 5.082 228 HD12 LEU 29 2HD1 LEU 29 -1.923 5.763 4.267 229 HD13 LEU 29 3HD1 LEU 29 -0.388 5.785 3.400 230 HD21 LEU 29 3HD2 LEU 29 0.696 3.054 4.270 231 HD22 LEU 29 1HD2 LEU 29 0.643 3.676 2.619 232 HD23 LEU 29 2HD2 LEU 29 -0.102 2.125 3.000 233 H LEU 30 H LEU 30 -2.195 0.577 6.537 234 HA LEU 30 HA LEU 30 -4.635 0.866 7.848 235 HB2 LEU 30 2HB LEU 30 -3.789 -1.220 6.831 236 HB3 LEU 30 1HB LEU 30 -2.616 -1.367 8.124 237 HG LEU 30 HG LEU 30 -4.470 -1.611 9.754 238 HD11 LEU 30 1HD1 LEU 30 -6.185 -0.374 8.549 239 HD12 LEU 30 2HD1 LEU 30 -6.741 -1.998 8.946 240 HD13 LEU 30 3HD1 LEU 30 -6.227 -1.623 7.302 241 HD21 LEU 30 3HD2 LEU 30 -3.405 -3.594 8.808 242 HD22 LEU 30 1HD2 LEU 30 -4.542 -3.576 7.458 243 HD23 LEU 30 2HD2 LEU 30 -5.120 -3.877 9.097 244 H LYS 31 H LYS 31 -1.386 1.005 9.112 245 HA LYS 31 HA LYS 31 -1.986 0.752 11.869 246 HB2 LYS 31 2HB LYS 31 0.253 0.372 11.121 247 HB3 LYS 31 1HB LYS 31 0.348 1.954 10.371 248 HG2 LYS 31 2HG LYS 31 -0.103 1.880 13.307 249 HG3 LYS 31 1HG LYS 31 1.484 1.384 12.723 250 HD2 LYS 31 2HD LYS 31 0.125 4.019 12.102 251 HD3 LYS 31 1HD LYS 31 1.412 3.784 13.288 252 HE2 LYS 31 2HE LYS 31 2.946 3.100 11.519 253 HE3 LYS 31 1HE LYS 31 1.660 3.237 10.322 254 HZ1 LYS 31 3HZ LYS 31 2.690 5.499 11.946 255 HZ2 LYS 31 1HZ LYS 31 1.563 5.591 10.686 256 HZ3 LYS 31 2HZ LYS 31 3.166 5.161 10.358 257 H ASP 32 H ASP 32 -2.000 3.528 9.687 258 HA ASP 32 HA ASP 32 -2.332 5.399 11.898 259 HB2 ASP 32 2HB ASP 32 -2.187 5.849 8.911 260 HB3 ASP 32 1HB ASP 32 -2.359 7.136 10.103 261 H MET 33 H MET 33 -4.244 4.677 8.925 262 HA MET 33 HA MET 33 -6.612 5.709 10.359 263 HB2 MET 33 2HB MET 33 -7.673 5.786 8.059 264 HB3 MET 33 1HB MET 33 -6.357 6.914 8.344 265 HG2 MET 33 2HG MET 33 -6.016 4.280 6.927 266 HG3 MET 33 1HG MET 33 -6.354 5.803 6.106 267 HE1 MET 33 3HE MET 33 -4.639 7.785 8.063 268 HE2 MET 33 1HE MET 33 -4.716 7.949 6.309 269 HE3 MET 33 2HE MET 33 -3.151 7.898 7.121 270 H ASN 34 H ASN 34 -8.505 4.548 10.526 271 HA ASN 34 HA ASN 34 -8.210 1.762 10.845 272 HB2 ASN 34 2HB ASN 34 -10.628 3.569 10.921 273 HB3 ASN 34 1HB ASN 34 -10.753 1.834 11.192 274 HD21 ASN 34 1HD2 ASN 34 -9.617 4.850 12.476 275 HD22 ASN 34 2HD2 ASN 34 -9.260 4.269 14.058 276 H GLN 35 H GLN 35 -9.495 0.059 9.907 277 HA GLN 35 HA GLN 35 -8.984 -0.380 7.264 278 HB2 GLN 35 2HB GLN 35 -11.239 -1.571 8.899 279 HB3 GLN 35 1HB GLN 35 -10.604 -2.250 7.406 280 HG2 GLN 35 2HG GLN 35 -8.472 -2.664 8.432 281 HG3 GLN 35 1HG GLN 35 -8.961 -1.817 9.895 282 HE21 GLN 35 1HE2 GLN 35 -11.087 -4.018 8.185 283 HE22 GLN 35 2HE2 GLN 35 -11.069 -5.250 9.393 284 H SER 36 H SER 36 -12.245 0.441 8.507 285 HA SER 36 HA SER 36 -13.518 0.597 6.020 286 HB2 SER 36 2HB SER 36 -14.789 0.473 8.099 287 HB3 SER 36 1HB SER 36 -14.201 2.064 8.584 288 HG SER 36 HG SER 36 -16.382 1.785 7.459 289 H SER 37 H SER 37 -11.781 3.089 7.823 290 HA SER 37 HA SER 37 -12.602 5.295 6.228 291 HB2 SER 37 2HB SER 37 -11.692 5.602 8.492 292 HB3 SER 37 1HB SER 37 -10.126 5.000 7.954 293 HG SER 37 HG SER 37 -10.969 7.032 6.368 294 H LEU 38 H LEU 38 -9.646 3.312 6.184 295 HA LEU 38 HA LEU 38 -8.339 4.670 4.091 296 HB2 LEU 38 2HB LEU 38 -7.223 3.107 5.622 297 HB3 LEU 38 1HB LEU 38 -8.124 1.771 4.929 298 HG LEU 38 HG LEU 38 -6.982 2.141 2.762 299 HD11 LEU 38 1HD1 LEU 38 -5.374 4.205 4.274 300 HD12 LEU 38 2HD1 LEU 38 -6.525 4.531 2.979 301 HD13 LEU 38 3HD1 LEU 38 -5.049 3.631 2.636 302 HD21 LEU 38 3HD2 LEU 38 -5.117 1.771 5.113 303 HD22 LEU 38 1HD2 LEU 38 -4.783 1.296 3.445 304 HD23 LEU 38 2HD2 LEU 38 -6.083 0.512 4.341 305 H ALA 39 H ALA 39 -10.629 1.978 4.058 306 HA ALA 39 HA ALA 39 -10.380 1.157 1.404 307 HB1 ALA 39 3HB ALA 39 -12.548 0.100 1.679 308 HB2 ALA 39 1HB ALA 39 -12.867 1.087 3.108 309 HB3 ALA 39 2HB ALA 39 -11.572 -0.108 3.133 310 H LYS 40 H LYS 40 -11.754 4.087 2.569 311 HA LYS 40 HA LYS 40 -13.362 4.484 0.155 312 HB2 LYS 40 2HB LYS 40 -13.023 6.186 2.634 313 HB3 LYS 40 1HB LYS 40 -14.024 6.637 1.260 314 HG2 LYS 40 2HG LYS 40 -15.360 4.566 1.615 315 HG3 LYS 40 1HG LYS 40 -14.408 4.255 3.069 316 HD2 LYS 40 2HD LYS 40 -15.196 6.301 4.084 317 HD3 LYS 40 1HD LYS 40 -16.025 6.765 2.595 318 HE2 LYS 40 2HE LYS 40 -17.458 4.741 2.826 319 HE3 LYS 40 1HE LYS 40 -16.691 4.420 4.383 320 HZ1 LYS 40 3HZ LYS 40 -17.568 6.433 5.258 321 HZ2 LYS 40 1HZ LYS 40 -18.850 5.621 4.516 322 HZ3 LYS 40 2HZ LYS 40 -18.127 6.940 3.745 323 H GLU 41 H GLU 41 -10.283 5.434 1.454 324 HA GLU 41 HA GLU 41 -9.928 7.667 -0.364 325 HB2 GLU 41 2HB GLU 41 -7.909 6.255 1.404 326 HB3 GLU 41 1HB GLU 41 -7.664 7.791 0.582 327 HG2 GLU 41 2HG GLU 41 -9.645 7.239 2.788 328 HG3 GLU 41 1HG GLU 41 -8.141 8.146 2.928 329 H CYS 42 H CYS 42 -8.889 4.312 -0.127 330 HA CYS 42 HA CYS 42 -7.546 4.447 -2.738 331 HB2 CYS 42 2HB CYS 42 -6.735 2.190 -2.234 332 HB3 CYS 42 1HB CYS 42 -6.365 3.282 -0.904 333 HG CYS 42 HG CYS 42 -9.273 1.706 -0.492 334 HA PRO 43 HA PRO 43 -11.162 2.640 -4.734 335 HB2 PRO 43 2HB PRO 43 -10.003 1.732 -7.016 336 HB3 PRO 43 1HB PRO 43 -10.279 3.452 -6.715 337 HG2 PRO 43 2HG PRO 43 -7.761 1.849 -6.364 338 HG3 PRO 43 1HG PRO 43 -7.975 3.445 -7.110 339 HD2 PRO 43 2HD PRO 43 -7.080 3.138 -4.568 340 HD3 PRO 43 1HD PRO 43 -8.063 4.528 -5.068 341 H LEU 44 H LEU 44 -9.713 1.014 -2.748 342 HA LEU 44 HA LEU 44 -9.913 -1.681 -3.922 343 HB2 LEU 44 2HB LEU 44 -7.952 -0.781 -1.800 344 HB3 LEU 44 1HB LEU 44 -8.022 -2.361 -2.561 345 HG LEU 44 HG LEU 44 -7.383 0.194 -4.050 346 HD11 LEU 44 1HD1 LEU 44 -5.049 -0.535 -4.011 347 HD12 LEU 44 2HD1 LEU 44 -5.485 -1.880 -2.957 348 HD13 LEU 44 3HD1 LEU 44 -5.662 -0.221 -2.388 349 HD21 LEU 44 3HD2 LEU 44 -7.093 -2.709 -4.838 350 HD22 LEU 44 1HD2 LEU 44 -6.575 -1.322 -5.798 351 HD23 LEU 44 2HD2 LEU 44 -8.288 -1.570 -5.462 352 H SER 45 H SER 45 -11.586 -2.715 -3.003 353 HA SER 45 HA SER 45 -13.016 -1.921 -0.761 354 HB2 SER 45 2HB SER 45 -12.775 -4.707 -1.933 355 HB3 SER 45 1HB SER 45 -14.020 -4.198 -0.790 356 HG SER 45 HG SER 45 -13.723 -3.615 -3.497 357 H GLN 46 H GLN 46 -12.982 -2.365 1.395 358 HA GLN 46 HA GLN 46 -10.576 -2.761 2.698 359 HB2 GLN 46 2HB GLN 46 -12.472 -1.707 3.785 360 HB3 GLN 46 1HB GLN 46 -13.389 -3.203 3.727 361 HG2 GLN 46 2HG GLN 46 -10.890 -3.627 5.102 362 HG3 GLN 46 1HG GLN 46 -11.751 -2.261 5.804 363 HE21 GLN 46 1HE2 GLN 46 -13.443 -4.930 4.293 364 HE22 GLN 46 2HE2 GLN 46 -14.081 -5.593 5.752 365 H SER 47 H SER 47 -13.024 -5.189 1.894 366 HA SER 47 HA SER 47 -11.999 -7.363 3.333 367 HB2 SER 47 2HB SER 47 -13.403 -7.443 0.644 368 HB3 SER 47 1HB SER 47 -13.255 -8.784 1.777 369 HG SER 47 HG SER 47 -15.249 -7.877 2.102 370 H MET 48 H MET 48 -11.009 -5.997 0.247 371 HA MET 48 HA MET 48 -9.245 -8.112 -0.522 372 HB2 MET 48 2HB MET 48 -9.276 -5.200 -1.346 373 HB3 MET 48 1HB MET 48 -8.319 -6.455 -2.120 374 HG2 MET 48 2HG MET 48 -10.367 -7.606 -2.791 375 HG3 MET 48 1HG MET 48 -11.329 -6.346 -2.011 376 HE1 MET 48 3HE MET 48 -11.736 -7.195 -5.050 377 HE2 MET 48 1HE MET 48 -11.883 -5.616 -5.826 378 HE3 MET 48 2HE MET 48 -12.667 -5.913 -4.275 379 H ILE 49 H ILE 49 -9.040 -5.805 1.918 380 HA ILE 49 HA ILE 49 -6.099 -5.886 2.003 381 HB ILE 49 HB ILE 49 -8.018 -4.281 3.714 382 HG12 ILE 49 2HG1 ILE 49 -6.268 -3.394 1.397 383 HG13 ILE 49 1HG1 ILE 49 -8.020 -3.574 1.340 384 HG21 ILE 49 1HG2 ILE 49 -5.930 -4.740 4.885 385 HG22 ILE 49 2HG2 ILE 49 -6.011 -3.040 4.424 386 HG23 ILE 49 3HG2 ILE 49 -5.003 -4.155 3.502 387 HD11 ILE 49 3HD1 ILE 49 -6.475 -1.604 3.014 388 HD12 ILE 49 1HD1 ILE 49 -8.227 -1.812 3.044 389 HD13 ILE 49 2HD1 ILE 49 -7.430 -1.255 1.573 390 H SER 50 H SER 50 -8.861 -6.307 4.220 391 HA SER 50 HA SER 50 -7.533 -7.438 6.378 392 HB2 SER 50 2HB SER 50 -9.742 -8.343 7.041 393 HB3 SER 50 1HB SER 50 -9.865 -6.673 6.484 394 HG SER 50 HG SER 50 -11.491 -8.040 5.585 395 H SER 51 H SER 51 -9.116 -9.128 3.667 396 HA SER 51 HA SER 51 -8.689 -11.753 4.514 397 HB2 SER 51 2HB SER 51 -8.807 -10.731 1.661 398 HB3 SER 51 1HB SER 51 -9.010 -12.412 2.155 399 HG SER 51 HG SER 51 -10.676 -10.218 2.878 400 H ILE 52 H ILE 52 -6.589 -9.726 2.468 401 HA ILE 52 HA ILE 52 -4.688 -11.774 1.940 402 HB ILE 52 HB ILE 52 -4.415 -8.768 1.735 403 HG12 ILE 52 2HG1 ILE 52 -5.019 -10.899 -0.337 404 HG13 ILE 52 1HG1 ILE 52 -6.140 -9.683 0.265 405 HG21 ILE 52 1HG2 ILE 52 -2.461 -9.170 0.323 406 HG22 ILE 52 2HG2 ILE 52 -2.601 -10.907 0.598 407 HG23 ILE 52 3HG2 ILE 52 -2.212 -9.829 1.940 408 HD11 ILE 52 3HD1 ILE 52 -5.309 -9.100 -1.935 409 HD12 ILE 52 1HD1 ILE 52 -3.648 -9.148 -1.344 410 HD13 ILE 52 2HD1 ILE 52 -4.768 -7.926 -0.736 411 H VAL 53 H VAL 53 -4.897 -9.277 4.439 412 HA VAL 53 HA VAL 53 -2.265 -9.753 5.481 413 HB VAL 53 HB VAL 53 -4.617 -8.341 6.764 414 HG11 VAL 53 1HG1 VAL 53 -1.686 -8.303 7.515 415 HG12 VAL 53 2HG1 VAL 53 -2.986 -9.049 8.444 416 HG13 VAL 53 3HG1 VAL 53 -2.945 -7.299 8.238 417 HG21 VAL 53 3HG2 VAL 53 -3.492 -6.280 6.042 418 HG22 VAL 53 1HG2 VAL 53 -3.928 -7.298 4.668 419 HG23 VAL 53 2HG2 VAL 53 -2.256 -7.240 5.228 420 H ASN 54 H ASN 54 -5.498 -10.943 6.266 421 HA ASN 54 HA ASN 54 -4.419 -12.436 8.575 422 HB2 ASN 54 2HB ASN 54 -7.267 -11.655 7.905 423 HB3 ASN 54 1HB ASN 54 -6.784 -12.589 9.319 424 HD21 ASN 54 1HD2 ASN 54 -6.737 -9.471 7.799 425 HD22 ASN 54 2HD2 ASN 54 -6.270 -8.577 9.202 426 H SER 55 H SER 55 -4.505 -13.212 5.572 427 HA SER 55 HA SER 55 -6.270 -15.418 5.320 428 HB2 SER 55 2HB SER 55 -5.247 -14.336 3.359 429 HB3 SER 55 1HB SER 55 -3.659 -14.911 3.866 430 HG SER 55 HG SER 55 -5.864 -16.611 3.282 431 H THR 56 H THR 56 -5.950 -17.640 5.575 432 HA THR 56 HA THR 56 -4.366 -18.429 7.784 433 HB THR 56 HB THR 56 -5.056 -20.743 7.266 434 HG1 THR 56 HG1 THR 56 -6.328 -21.128 5.403 435 HG21 THR 56 3HG2 THR 56 -6.608 -19.276 8.474 436 HG22 THR 56 1HG2 THR 56 -7.479 -20.415 7.446 437 HG23 THR 56 2HG2 THR 56 -7.294 -18.736 6.940 438 H TYR 57 H TYR 57 -4.132 -19.887 4.528 439 HA TYR 57 HA TYR 57 -1.225 -20.183 4.935 440 HB2 TYR 57 2HB TYR 57 -1.259 -21.993 3.405 441 HB3 TYR 57 1HB TYR 57 -2.685 -22.210 4.407 442 HD1 TYR 57 HD2 TYR 57 -4.922 -21.179 3.396 443 HD2 TYR 57 HD1 TYR 57 -1.470 -22.176 1.106 444 HE1 TYR 57 HE2 TYR 57 -6.307 -21.310 1.365 445 HE2 TYR 57 HE1 TYR 57 -2.847 -22.314 -0.920 446 HH TYR 57 HH TYR 57 -5.999 -21.123 -1.101 447 H TYR 58 H TYR 58 -2.988 -17.855 3.842 448 HA TYR 58 HA TYR 58 -2.770 -16.126 2.421 449 HB2 TYR 58 2HB TYR 58 -0.066 -17.367 1.907 450 HB3 TYR 58 1HB TYR 58 -0.577 -15.835 1.203 451 HD1 TYR 58 HD1 TYR 58 -1.505 -14.079 2.931 452 HD2 TYR 58 HD2 TYR 58 1.073 -17.310 3.956 453 HE1 TYR 58 HE1 TYR 58 -0.821 -12.881 4.961 454 HE2 TYR 58 HE2 TYR 58 1.768 -16.113 5.988 455 HH TYR 58 HH TYR 58 1.863 -13.817 6.835 456 H ALA 59 H ALA 59 -4.385 -16.415 1.033 457 HA ALA 59 HA ALA 59 -4.317 -18.336 -1.111 458 HB1 ALA 59 3HB ALA 59 -6.394 -17.755 0.052 459 HB2 ALA 59 1HB ALA 59 -6.515 -17.443 -1.680 460 HB3 ALA 59 2HB ALA 59 -6.276 -16.104 -0.557 461 H ASN 60 H ASN 60 -2.185 -16.330 -1.189 462 HA ASN 60 HA ASN 60 -0.994 -15.167 -2.723 463 HB2 ASN 60 2HB ASN 60 -1.759 -16.777 -4.393 464 HB3 ASN 60 1HB ASN 60 -3.258 -15.879 -4.607 465 HD21 ASN 60 1HD2 ASN 60 -2.923 -15.499 -6.767 466 HD22 ASN 60 2HD2 ASN 60 -1.711 -14.422 -7.355 467 H VAL 61 H VAL 61 -0.711 -13.014 -2.948 468 HA VAL 61 HA VAL 61 -2.764 -11.154 -2.307 469 HB VAL 61 HB VAL 61 -0.111 -10.604 -3.668 470 HG11 VAL 61 1HG1 VAL 61 -1.653 -8.731 -3.869 471 HG12 VAL 61 2HG1 VAL 61 -0.359 -8.335 -2.740 472 HG13 VAL 61 3HG1 VAL 61 -1.958 -8.766 -2.132 473 HG21 VAL 61 3HG2 VAL 61 -0.802 -10.630 -0.725 474 HG22 VAL 61 1HG2 VAL 61 0.736 -10.101 -1.410 475 HG23 VAL 61 2HG2 VAL 61 0.233 -11.785 -1.565 476 H SER 62 H SER 62 -4.479 -11.036 -3.622 477 HA SER 62 HA SER 62 -4.732 -11.725 -6.255 478 HB2 SER 62 2HB SER 62 -6.634 -11.283 -4.751 479 HB3 SER 62 1HB SER 62 -6.295 -9.556 -4.828 480 HG SER 62 HG SER 62 -7.926 -10.080 -6.290 481 H ALA 63 H ALA 63 -3.677 -11.015 -7.995 482 HA ALA 63 HA ALA 63 -2.270 -8.623 -8.251 483 HB1 ALA 63 3HB ALA 63 -1.880 -10.596 -9.643 484 HB2 ALA 63 1HB ALA 63 -2.115 -9.148 -10.625 485 HB3 ALA 63 2HB ALA 63 -3.419 -10.325 -10.460 486 H ALA 64 H ALA 64 -5.667 -9.163 -8.612 487 HA ALA 64 HA ALA 64 -6.468 -7.145 -10.345 488 HB1 ALA 64 3HB ALA 64 -7.975 -8.844 -9.409 489 HB2 ALA 64 1HB ALA 64 -8.623 -7.216 -9.210 490 HB3 ALA 64 2HB ALA 64 -7.890 -8.051 -7.839 491 H LYS 65 H LYS 65 -5.085 -6.831 -7.207 492 HA LYS 65 HA LYS 65 -6.061 -4.130 -6.765 493 HB2 LYS 65 2HB LYS 65 -5.870 -5.526 -4.826 494 HB3 LYS 65 1HB LYS 65 -4.206 -5.941 -5.212 495 HG2 LYS 65 2HG LYS 65 -3.455 -3.732 -4.680 496 HG3 LYS 65 1HG LYS 65 -5.112 -3.154 -4.505 497 HD2 LYS 65 2HD LYS 65 -3.870 -5.295 -2.768 498 HD3 LYS 65 1HD LYS 65 -3.934 -3.585 -2.340 499 HE2 LYS 65 2HE LYS 65 -6.394 -3.662 -2.489 500 HE3 LYS 65 1HE LYS 65 -6.306 -5.386 -2.854 501 HZ1 LYS 65 3HZ LYS 65 -5.212 -4.188 -0.371 502 HZ2 LYS 65 1HZ LYS 65 -5.430 -5.831 -0.714 503 HZ3 LYS 65 2HZ LYS 65 -6.771 -4.827 -0.488 504 H CYS 66 H CYS 66 -3.270 -5.632 -8.168 505 HA CYS 66 HA CYS 66 -1.248 -3.816 -7.529 506 HB2 CYS 66 2HB CYS 66 -0.812 -6.010 -8.538 507 HB3 CYS 66 1HB CYS 66 -1.512 -5.459 -10.057 508 HG CYS 66 HG CYS 66 1.480 -4.686 -8.672 509 H GLN 67 H GLN 67 -3.413 -3.766 -10.369 510 HA GLN 67 HA GLN 67 -2.122 -1.652 -11.703 511 HB2 GLN 67 2HB GLN 67 -5.001 -2.561 -11.875 512 HB3 GLN 67 1HB GLN 67 -4.236 -1.452 -13.005 513 HG2 GLN 67 2HG GLN 67 -3.334 -4.289 -12.510 514 HG3 GLN 67 1HG GLN 67 -4.381 -3.780 -13.832 515 HE21 GLN 67 1HE2 GLN 67 -2.883 -4.520 -15.352 516 HE22 GLN 67 2HE2 GLN 67 -1.423 -3.664 -15.687 517 H GLU 68 H GLU 68 -5.116 -1.508 -9.726 518 HA GLU 68 HA GLU 68 -5.347 1.301 -9.789 519 HB2 GLU 68 2HB GLU 68 -6.404 -0.788 -7.893 520 HB3 GLU 68 1HB GLU 68 -6.720 0.922 -7.642 521 HG2 GLU 68 2HG GLU 68 -8.580 -0.156 -8.770 522 HG3 GLU 68 1HG GLU 68 -7.831 1.061 -9.800 523 H PHE 69 H PHE 69 -3.572 -0.834 -7.612 524 HA PHE 69 HA PHE 69 -2.897 1.073 -5.648 525 HB2 PHE 69 2HB PHE 69 -2.640 -1.380 -5.368 526 HB3 PHE 69 1HB PHE 69 -1.310 -1.357 -6.519 527 HD1 PHE 69 HD2 PHE 69 -2.397 -0.171 -3.187 528 HD2 PHE 69 HD1 PHE 69 0.885 -0.793 -5.830 529 HE1 PHE 69 HE2 PHE 69 -0.832 0.263 -1.341 530 HE2 PHE 69 HE1 PHE 69 2.453 -0.359 -3.984 531 HZ PHE 69 HZ PHE 69 1.596 0.167 -1.737 532 H GLY 70 H GLY 70 -0.939 -0.119 -8.410 533 HA2 GLY 70 2HA GLY 70 1.198 1.692 -8.079 534 HA3 GLY 70 1HA GLY 70 0.809 0.841 -9.563 535 H ARG 71 H ARG 71 -1.875 2.081 -9.714 536 HA ARG 71 HA ARG 71 -1.151 4.472 -11.138 537 HB2 ARG 71 2HB ARG 71 -2.982 2.810 -11.748 538 HB3 ARG 71 1HB ARG 71 -3.941 3.496 -10.449 539 HG2 ARG 71 2HG ARG 71 -2.882 5.168 -12.715 540 HG3 ARG 71 1HG ARG 71 -4.407 4.294 -12.823 541 HD2 ARG 71 2HD ARG 71 -3.685 6.501 -10.898 542 HD3 ARG 71 1HD ARG 71 -4.884 6.552 -12.187 543 HE ARG 71 HE ARG 71 -5.253 5.561 -9.548 544 HH11 ARG 71 1HH1 ARG 71 -6.284 5.095 -12.812 545 HH12 ARG 71 2HH1 ARG 71 -7.813 4.445 -12.335 546 HH21 ARG 71 1HH2 ARG 71 -7.228 4.740 -8.976 547 HH22 ARG 71 2HH2 ARG 71 -8.338 4.246 -10.207 548 H TRP 72 H TRP 72 -3.126 3.820 -8.256 549 HA TRP 72 HA TRP 72 -3.622 6.574 -7.667 550 HB2 TRP 72 2HB TRP 72 -5.275 4.997 -7.003 551 HB3 TRP 72 1HB TRP 72 -4.096 3.997 -6.166 552 HD1 TRP 72 HD TRP 72 -5.697 7.521 -5.783 553 HE1 TRP 72 HE1 TRP 72 -5.888 8.026 -3.267 554 HE3 TRP 72 HE3 TRP 72 -3.397 3.346 -3.940 555 HZ2 TRP 72 HZ2 TRP 72 -5.169 6.813 -0.825 556 HZ3 TRP 72 HZ3 TRP 72 -3.193 3.094 -1.500 557 HH2 TRP 72 HH TRP 72 -4.060 4.794 0.023 558 H TYR 73 H TYR 73 -1.738 4.087 -5.904 559 HA TYR 73 HA TYR 73 -0.831 5.755 -3.859 560 HB2 TYR 73 2HB TYR 73 -0.763 3.158 -4.119 561 HB3 TYR 73 1HB TYR 73 0.818 3.433 -4.838 562 HD1 TYR 73 HD1 TYR 73 -0.944 4.946 -1.896 563 HD2 TYR 73 HD2 TYR 73 2.470 2.817 -3.307 564 HE1 TYR 73 HE1 TYR 73 0.011 4.989 0.367 565 HE2 TYR 73 HE2 TYR 73 3.434 2.861 -1.043 566 HH TYR 73 HH TYR 73 3.262 4.099 1.025 567 H LYS 74 H LYS 74 0.383 5.343 -7.095 568 HA LYS 74 HA LYS 74 2.959 6.404 -6.894 569 HB2 LYS 74 2HB LYS 74 2.272 5.383 -8.934 570 HB3 LYS 74 1HB LYS 74 0.913 6.480 -9.115 571 HG2 LYS 74 2HG LYS 74 2.362 8.305 -9.658 572 HG3 LYS 74 1HG LYS 74 3.793 7.364 -9.240 573 HD2 LYS 74 2HD LYS 74 3.482 7.523 -11.672 574 HD3 LYS 74 1HD LYS 74 3.383 5.856 -11.109 575 HE2 LYS 74 2HE LYS 74 0.954 5.925 -11.244 576 HE3 LYS 74 1HE LYS 74 1.007 7.629 -11.694 577 HZ1 LYS 74 3HZ LYS 74 2.191 5.422 -13.293 578 HZ2 LYS 74 1HZ LYS 74 2.114 7.053 -13.734 579 HZ3 LYS 74 2HZ LYS 74 0.693 6.142 -13.607 580 H HIS 75 H HIS 75 -0.141 8.110 -7.309 581 HA HIS 75 HA HIS 75 1.236 10.702 -7.232 582 HB2 HIS 75 2HB HIS 75 -1.653 9.982 -7.785 583 HB3 HIS 75 1HB HIS 75 -1.038 11.632 -7.741 584 HD1 HIS 75 HD1 HIS 75 0.259 12.463 -9.769 585 HD2 HIS 75 HD2 HIS 75 -0.802 8.454 -10.022 586 HE1 HIS 75 HE1 HIS 75 0.722 11.798 -12.144 587 HE2 HIS 75 HE2 HIS 75 -0.111 9.434 -12.320 588 H PHE 76 H PHE 76 -0.931 8.726 -5.298 589 HA PHE 76 HA PHE 76 -1.879 10.620 -3.490 590 HB2 PHE 76 2HB PHE 76 -2.714 8.307 -3.620 591 HB3 PHE 76 1HB PHE 76 -1.202 7.718 -2.937 592 HD1 PHE 76 HD2 PHE 76 -4.125 9.901 -2.210 593 HD2 PHE 76 HD1 PHE 76 -0.934 7.570 -0.612 594 HE1 PHE 76 HE2 PHE 76 -5.056 10.179 0.051 595 HE2 PHE 76 HE1 PHE 76 -1.862 7.847 1.649 596 HZ PHE 76 HZ PHE 76 -3.925 9.153 1.982 597 H LYS 77 H LYS 77 1.120 8.676 -3.270 598 HA LYS 77 HA LYS 77 1.966 10.230 -0.930 599 HB2 LYS 77 2HB LYS 77 3.737 8.639 -0.673 600 HB3 LYS 77 1HB LYS 77 2.260 7.746 -0.998 601 HG2 LYS 77 2HG LYS 77 3.022 7.672 -3.429 602 HG3 LYS 77 1HG LYS 77 4.589 8.227 -2.837 603 HD2 LYS 77 2HD LYS 77 4.627 6.270 -1.288 604 HD3 LYS 77 1HD LYS 77 3.139 5.698 -2.039 605 HE2 LYS 77 2HE LYS 77 4.851 4.495 -3.103 606 HE3 LYS 77 1HE LYS 77 4.421 5.766 -4.248 607 HZ1 LYS 77 3HZ LYS 77 6.320 7.044 -3.473 608 HZ2 LYS 77 1HZ LYS 77 6.811 5.528 -4.046 609 HZ3 LYS 77 2HZ LYS 77 6.725 5.815 -2.381 610 H LYS 78 H LYS 78 2.019 10.710 -4.131 611 HA LYS 78 HA LYS 78 3.200 11.941 -5.622 612 HB2 LYS 78 2HB LYS 78 2.734 13.491 -3.514 613 HB3 LYS 78 1HB LYS 78 4.485 13.476 -3.395 614 HG2 LYS 78 2HG LYS 78 2.900 14.366 -5.808 615 HG3 LYS 78 1HG LYS 78 3.636 15.431 -4.615 616 HD2 LYS 78 2HD LYS 78 5.860 14.561 -5.228 617 HD3 LYS 78 1HD LYS 78 5.109 13.519 -6.437 618 HE2 LYS 78 2HE LYS 78 6.008 15.496 -7.506 619 HE3 LYS 78 1HE LYS 78 4.248 15.514 -7.598 620 HZ1 LYS 78 3HZ LYS 78 4.178 17.094 -5.796 621 HZ2 LYS 78 1HZ LYS 78 5.190 17.682 -7.013 622 HZ3 LYS 78 2HZ LYS 78 5.857 17.026 -5.605 623 H THR 79 H THR 79 4.555 10.200 -6.305 624 HA THR 79 HA THR 79 7.397 10.717 -5.683 625 HB THR 79 HB THR 79 6.351 7.906 -6.130 626 HG1 THR 79 HG1 THR 79 6.455 9.468 -3.806 627 HG21 THR 79 3HG2 THR 79 8.518 7.270 -5.107 628 HG22 THR 79 1HG2 THR 79 8.959 8.976 -5.018 629 HG23 THR 79 2HG2 THR 79 8.737 8.204 -6.589 630 H LYS 80 H LYS 80 5.484 11.427 -7.863 631 HA LYS 80 HA LYS 80 7.227 11.062 -10.082 632 HB2 LYS 80 2HB LYS 80 6.179 8.829 -10.080 633 HB3 LYS 80 1HB LYS 80 4.589 9.572 -10.149 634 HG2 LYS 80 2HG LYS 80 5.310 8.702 -12.322 635 HG3 LYS 80 1HG LYS 80 5.043 10.446 -12.359 636 HD2 LYS 80 2HD LYS 80 7.420 10.864 -12.256 637 HD3 LYS 80 1HD LYS 80 7.756 9.145 -12.033 638 HE2 LYS 80 2HE LYS 80 7.035 8.641 -14.257 639 HE3 LYS 80 1HE LYS 80 6.380 10.265 -14.474 640 HZ1 LYS 80 3HZ LYS 80 9.256 9.590 -14.158 641 HZ2 LYS 80 1HZ LYS 80 8.623 11.147 -14.355 642 HZ3 LYS 80 2HZ LYS 80 8.490 10.020 -15.602 643 H ASP 81 H ASP 81 7.120 13.200 -10.602 644 HA ASP 81 HA ASP 81 4.502 14.524 -10.672 645 HB2 ASP 81 2HB ASP 81 6.482 15.520 -9.440 646 HB3 ASP 81 1HB ASP 81 7.214 15.817 -11.013 647 H MET 82 H MET 82 7.375 15.080 -12.725 648 HA MET 82 HA MET 82 5.758 15.355 -15.092 649 HB2 MET 82 2HB MET 82 7.843 16.646 -14.762 650 HB3 MET 82 1HB MET 82 8.771 15.155 -14.804 651 HG2 MET 82 2HG MET 82 8.078 14.779 -17.117 652 HG3 MET 82 1HG MET 82 7.126 16.261 -17.073 653 HE1 MET 82 3HE MET 82 9.864 19.025 -16.783 654 HE2 MET 82 1HE MET 82 9.021 18.258 -15.436 655 HE3 MET 82 2HE MET 82 8.140 18.676 -16.906 656 H MET 83 H MET 83 5.555 13.899 -16.818 657 HA MET 83 HA MET 83 5.717 11.134 -16.023 658 HB2 MET 83 2HB MET 83 4.640 10.808 -18.361 659 HB3 MET 83 1HB MET 83 3.720 11.604 -17.095 660 HG2 MET 83 2HG MET 83 3.453 12.719 -19.244 661 HG3 MET 83 1HG MET 83 4.215 13.774 -18.059 662 HE1 MET 83 3HE MET 83 4.172 14.332 -21.226 663 HE2 MET 83 1HE MET 83 5.826 14.898 -21.469 664 HE3 MET 83 2HE MET 83 4.915 15.419 -20.052 Start of MODEL 4 1 H1 MET 1 1H MET 1 10.138 -4.246 16.853 2 H2 MET 1 2H MET 1 10.560 -4.523 15.238 3 H3 MET 1 3H MET 1 11.417 -3.391 16.153 4 HA MET 1 HA MET 1 12.304 -5.073 17.573 5 HB2 MET 1 2HB MET 1 10.681 -6.963 15.847 6 HB3 MET 1 1HB MET 1 11.888 -7.474 17.018 7 HG2 MET 1 2HG MET 1 10.568 -6.472 18.818 8 HG3 MET 1 1HG MET 1 9.351 -5.971 17.643 9 HE1 MET 1 3HE MET 1 8.643 -7.674 20.244 10 HE2 MET 1 1HE MET 1 7.526 -8.855 19.556 11 HE3 MET 1 2HE MET 1 7.453 -7.171 19.042 12 H GLY 2 H GLY 2 14.094 -6.613 16.927 13 HA2 GLY 2 2HA GLY 2 15.647 -7.483 15.424 14 HA3 GLY 2 1HA GLY 2 14.794 -6.695 14.110 15 H HIS 3 H HIS 3 17.245 -6.481 13.656 16 HA HIS 3 HA HIS 3 18.486 -4.187 14.981 17 HB2 HIS 3 2HB HIS 3 19.547 -5.874 12.700 18 HB3 HIS 3 1HB HIS 3 20.462 -4.740 13.682 19 HD1 HIS 3 HD1 HIS 3 21.218 -7.744 13.380 20 HD2 HIS 3 HD2 HIS 3 19.058 -6.131 16.538 21 HE1 HIS 3 HE1 HIS 3 21.534 -9.335 15.292 22 HE2 HIS 3 HE2 HIS 3 20.072 -8.436 17.129 23 H HIS 4 H HIS 4 16.086 -3.716 13.416 24 HA HIS 4 HA HIS 4 16.632 -2.929 10.762 25 HB2 HIS 4 2HB HIS 4 14.371 -3.497 11.665 26 HB3 HIS 4 1HB HIS 4 14.370 -1.965 12.529 27 HD1 HIS 4 HD1 HIS 4 13.635 -3.461 9.250 28 HD2 HIS 4 HD2 HIS 4 14.237 0.347 10.798 29 HE1 HIS 4 HE1 HIS 4 12.769 -1.886 7.509 30 HE2 HIS 4 HE2 HIS 4 12.935 0.384 8.566 31 H HIS 5 H HIS 5 18.528 -1.610 10.900 32 HA HIS 5 HA HIS 5 18.031 1.166 11.785 33 HB2 HIS 5 2HB HIS 5 20.628 -0.221 11.061 34 HB3 HIS 5 1HB HIS 5 20.488 1.469 11.537 35 HD1 HIS 5 HD1 HIS 5 20.405 -2.002 12.915 36 HD2 HIS 5 HD2 HIS 5 20.085 1.905 14.285 37 HE1 HIS 5 HE1 HIS 5 20.551 -2.151 15.414 38 HE2 HIS 5 HE2 HIS 5 20.622 0.234 16.186 39 H HIS 6 H HIS 6 17.252 2.439 10.214 40 HA HIS 6 HA HIS 6 16.647 3.224 8.162 41 HB2 HIS 6 2HB HIS 6 19.445 2.296 7.451 42 HB3 HIS 6 1HB HIS 6 18.427 3.261 6.386 43 HD1 HIS 6 HD1 HIS 6 17.774 5.693 7.354 44 HD2 HIS 6 HD2 HIS 6 20.945 3.757 9.216 45 HE1 HIS 6 HE1 HIS 6 19.004 7.476 8.611 46 HE2 HIS 6 HE2 HIS 6 21.017 6.321 9.570 47 H HIS 7 H HIS 7 16.876 2.457 5.601 48 HA HIS 7 HA HIS 7 17.018 -0.308 5.089 49 HB2 HIS 7 2HB HIS 7 14.805 -0.191 6.331 50 HB3 HIS 7 1HB HIS 7 14.180 0.744 4.977 51 HD1 HIS 7 HD1 HIS 7 15.133 -2.710 5.997 52 HD2 HIS 7 HD2 HIS 7 13.756 -0.757 2.596 53 HE1 HIS 7 HE1 HIS 7 14.432 -4.524 4.420 54 HE2 HIS 7 HE2 HIS 7 13.764 -3.331 2.314 55 H HIS 8 H HIS 8 18.322 0.474 3.408 56 HA HIS 8 HA HIS 8 17.276 2.284 1.432 57 HB2 HIS 8 2HB HIS 8 19.844 0.778 1.757 58 HB3 HIS 8 1HB HIS 8 19.442 1.441 0.176 59 HD1 HIS 8 HD1 HIS 8 20.365 2.474 3.658 60 HD2 HIS 8 HD2 HIS 8 19.558 4.235 -0.018 61 HE1 HIS 8 HE1 HIS 8 21.070 4.869 3.889 62 HE2 HIS 8 HE2 HIS 8 20.424 5.944 1.718 63 H SER 9 H SER 9 15.797 1.722 0.023 64 HA SER 9 HA SER 9 16.129 -0.361 -1.862 65 HB2 SER 9 2HB SER 9 15.413 -1.697 0.191 66 HB3 SER 9 1HB SER 9 13.854 -0.883 0.077 67 HG SER 9 HG SER 9 15.066 -2.575 -1.861 68 H HIS 10 H HIS 10 15.157 0.391 -3.655 69 HA HIS 10 HA HIS 10 13.540 2.763 -3.463 70 HB2 HIS 10 2HB HIS 10 13.637 2.692 -5.984 71 HB3 HIS 10 1HB HIS 10 15.194 2.745 -5.169 72 HD1 HIS 10 HD1 HIS 10 12.894 0.179 -6.773 73 HD2 HIS 10 HD2 HIS 10 16.923 0.800 -5.974 74 HE1 HIS 10 HE1 HIS 10 14.104 -1.701 -7.917 75 HE2 HIS 10 HE2 HIS 10 16.530 -1.348 -7.358 76 H MET 11 H MET 11 11.905 1.071 -2.288 77 HA MET 11 HA MET 11 9.826 0.437 -4.283 78 HB2 MET 11 2HB MET 11 10.256 -0.506 -1.448 79 HB3 MET 11 1HB MET 11 8.728 -0.741 -2.287 80 HG2 MET 11 2HG MET 11 10.188 -2.720 -2.376 81 HG3 MET 11 1HG MET 11 9.790 -2.084 -3.972 82 HE1 MET 11 3HE MET 11 12.155 -4.174 -3.406 83 HE2 MET 11 1HE MET 11 13.424 -3.508 -4.435 84 HE3 MET 11 2HE MET 11 11.759 -3.563 -5.014 85 H LEU 12 H LEU 12 10.711 2.820 -2.088 86 HA LEU 12 HA LEU 12 8.052 3.684 -1.357 87 HB2 LEU 12 2HB LEU 12 10.765 4.953 -0.996 88 HB3 LEU 12 1HB LEU 12 9.278 5.746 -0.516 89 HG LEU 12 HG LEU 12 8.808 3.848 1.036 90 HD11 LEU 12 1HD1 LEU 12 10.634 2.313 1.624 91 HD12 LEU 12 2HD1 LEU 12 11.591 2.953 0.287 92 HD13 LEU 12 3HD1 LEU 12 10.088 2.090 -0.038 93 HD21 LEU 12 3HD2 LEU 12 10.480 4.484 2.722 94 HD22 LEU 12 1HD2 LEU 12 9.819 5.887 1.883 95 HD23 LEU 12 2HD2 LEU 12 11.428 5.287 1.471 96 HA PRO 13 HA PRO 13 8.806 6.909 -4.888 97 HB2 PRO 13 2HB PRO 13 10.797 6.451 -6.653 98 HB3 PRO 13 1HB PRO 13 11.067 7.359 -5.160 99 HG2 PRO 13 2HG PRO 13 11.657 4.478 -5.755 100 HG3 PRO 13 1HG PRO 13 12.675 5.682 -4.941 101 HD2 PRO 13 2HD PRO 13 11.205 3.837 -3.584 102 HD3 PRO 13 1HD PRO 13 11.564 5.449 -2.932 103 HA PRO 14 HA PRO 14 6.570 4.326 -7.752 104 HB2 PRO 14 2HB PRO 14 6.460 5.855 -10.003 105 HB3 PRO 14 1HB PRO 14 5.534 6.228 -8.543 106 HG2 PRO 14 2HG PRO 14 8.135 7.389 -9.485 107 HG3 PRO 14 1HG PRO 14 6.721 8.221 -8.811 108 HD2 PRO 14 2HD PRO 14 8.921 7.666 -7.330 109 HD3 PRO 14 1HD PRO 14 7.288 7.686 -6.632 110 H GLU 15 H GLU 15 8.623 2.940 -7.648 111 HA GLU 15 HA GLU 15 10.081 2.890 -10.211 112 HB2 GLU 15 2HB GLU 15 11.466 3.125 -8.199 113 HB3 GLU 15 1HB GLU 15 10.770 1.658 -7.529 114 HG2 GLU 15 2HG GLU 15 12.971 1.209 -8.400 115 HG3 GLU 15 1HG GLU 15 11.759 0.356 -9.353 116 H GLN 16 H GLN 16 9.243 0.356 -7.814 117 HA GLN 16 HA GLN 16 7.730 -1.130 -9.791 118 HB2 GLN 16 2HB GLN 16 9.122 -3.147 -9.699 119 HB3 GLN 16 1HB GLN 16 10.030 -1.787 -10.345 120 HG2 GLN 16 2HG GLN 16 11.061 -1.473 -8.104 121 HG3 GLN 16 1HG GLN 16 10.231 -2.932 -7.561 122 HE21 GLN 16 1HE2 GLN 16 10.903 -4.944 -8.388 123 HE22 GLN 16 2HE2 GLN 16 12.425 -5.144 -9.177 124 H TRP 17 H TRP 17 6.288 -2.558 -8.892 125 HA TRP 17 HA TRP 17 6.348 -2.839 -5.955 126 HB2 TRP 17 2HB TRP 17 4.097 -2.210 -7.825 127 HB3 TRP 17 1HB TRP 17 3.743 -3.144 -6.376 128 HD1 TRP 17 HD TRP 17 5.419 0.253 -7.275 129 HE1 TRP 17 HE1 TRP 17 4.906 1.898 -5.364 130 HE3 TRP 17 HE3 TRP 17 2.898 -2.901 -4.132 131 HZ2 TRP 17 HZ2 TRP 17 3.610 1.864 -2.860 132 HZ3 TRP 17 HZ3 TRP 17 2.057 -2.014 -1.995 133 HH2 TRP 17 HH TRP 17 2.408 0.325 -1.374 134 H SER 18 H SER 18 4.824 -4.686 -5.244 135 HA SER 18 HA SER 18 4.800 -6.991 -7.020 136 HB2 SER 18 2HB SER 18 6.404 -6.923 -4.454 137 HB3 SER 18 1HB SER 18 5.894 -8.426 -5.218 138 HG SER 18 HG SER 18 7.190 -6.559 -6.834 139 H HIS 19 H HIS 19 3.794 -8.933 -5.810 140 HA HIS 19 HA HIS 19 1.187 -8.074 -5.095 141 HB2 HIS 19 2HB HIS 19 2.386 -10.839 -4.785 142 HB3 HIS 19 1HB HIS 19 0.672 -10.441 -4.847 143 HD1 HIS 19 HD1 HIS 19 -0.295 -9.745 -7.187 144 HD2 HIS 19 HD2 HIS 19 3.656 -11.037 -7.251 145 HE1 HIS 19 HE1 HIS 19 0.245 -10.150 -9.603 146 HE2 HIS 19 HE2 HIS 19 2.575 -11.079 -9.598 147 H THR 20 H THR 20 3.702 -9.719 -3.162 148 HA THR 20 HA THR 20 2.265 -9.608 -0.709 149 HB THR 20 HB THR 20 5.253 -9.909 -1.137 150 HG1 THR 20 HG1 THR 20 4.723 -11.840 -1.799 151 HG21 THR 20 3HG2 THR 20 4.706 -9.284 1.182 152 HG22 THR 20 1HG2 THR 20 5.268 -10.954 1.083 153 HG23 THR 20 2HG2 THR 20 3.548 -10.612 1.262 154 H THR 21 H THR 21 4.355 -7.346 -2.350 155 HA THR 21 HA THR 21 5.111 -5.671 -0.242 156 HB THR 21 HB THR 21 4.456 -4.785 -3.068 157 HG1 THR 21 HG1 THR 21 7.091 -5.265 -2.324 158 HG21 THR 21 3HG2 THR 21 4.751 -2.905 -1.534 159 HG22 THR 21 1HG2 THR 21 6.132 -3.025 -2.625 160 HG23 THR 21 2HG2 THR 21 6.273 -3.588 -0.961 161 H VAL 22 H VAL 22 2.121 -5.726 -2.147 162 HA VAL 22 HA VAL 22 0.906 -3.403 -1.162 163 HB VAL 22 HB VAL 22 -0.474 -6.000 -1.911 164 HG11 VAL 22 1HG1 VAL 22 -2.424 -4.594 -2.391 165 HG12 VAL 22 2HG1 VAL 22 -1.544 -3.173 -1.829 166 HG13 VAL 22 3HG1 VAL 22 -1.946 -4.465 -0.698 167 HG21 VAL 22 3HG2 VAL 22 -0.704 -5.021 -4.151 168 HG22 VAL 22 1HG2 VAL 22 0.991 -5.213 -3.704 169 HG23 VAL 22 2HG2 VAL 22 0.239 -3.620 -3.638 170 H ARG 23 H ARG 23 0.822 -6.725 0.128 171 HA ARG 23 HA ARG 23 -0.831 -6.276 2.351 172 HB2 ARG 23 2HB ARG 23 -0.156 -8.527 1.596 173 HB3 ARG 23 1HB ARG 23 1.500 -8.200 2.097 174 HG2 ARG 23 2HG ARG 23 0.398 -7.775 4.440 175 HG3 ARG 23 1HG ARG 23 -0.921 -8.739 3.772 176 HD2 ARG 23 2HD ARG 23 0.637 -10.141 5.011 177 HD3 ARG 23 1HD ARG 23 0.657 -10.555 3.296 178 HE ARG 23 HE ARG 23 2.707 -8.988 3.275 179 HH11 ARG 23 1HH1 ARG 23 1.843 -10.968 5.950 180 HH12 ARG 23 2HH1 ARG 23 3.488 -11.221 6.427 181 HH21 ARG 23 1HH2 ARG 23 4.794 -9.262 3.933 182 HH22 ARG 23 2HH2 ARG 23 5.136 -10.252 5.312 183 H ASN 24 H ASN 24 2.735 -6.176 2.123 184 HA ASN 24 HA ASN 24 3.313 -5.397 4.740 185 HB2 ASN 24 2HB ASN 24 4.760 -4.734 2.160 186 HB3 ASN 24 1HB ASN 24 5.422 -4.435 3.764 187 HD21 ASN 24 1HD2 ASN 24 7.157 -5.811 3.375 188 HD22 ASN 24 2HD2 ASN 24 6.982 -7.526 3.354 189 H ALA 25 H ALA 25 2.436 -3.419 1.931 190 HA ALA 25 HA ALA 25 2.748 -0.882 3.103 191 HB1 ALA 25 3HB ALA 25 0.763 -1.716 0.985 192 HB2 ALA 25 1HB ALA 25 2.430 -1.218 0.694 193 HB3 ALA 25 2HB ALA 25 1.267 -0.064 1.346 194 H LEU 26 H LEU 26 0.014 -3.138 3.135 195 HA LEU 26 HA LEU 26 -1.817 -1.407 4.441 196 HB2 LEU 26 2HB LEU 26 -1.733 -4.426 4.391 197 HB3 LEU 26 1HB LEU 26 -3.104 -3.460 4.905 198 HG LEU 26 HG LEU 26 -1.953 -3.554 2.107 199 HD11 LEU 26 1HD1 LEU 26 -4.555 -4.625 3.206 200 HD12 LEU 26 2HD1 LEU 26 -3.159 -5.587 2.712 201 HD13 LEU 26 3HD1 LEU 26 -4.051 -4.650 1.514 202 HD21 LEU 26 3HD2 LEU 26 -3.884 -2.177 1.483 203 HD22 LEU 26 1HD2 LEU 26 -2.824 -1.339 2.616 204 HD23 LEU 26 2HD2 LEU 26 -4.339 -2.044 3.183 205 H LYS 27 H LYS 27 0.899 -3.153 5.633 206 HA LYS 27 HA LYS 27 -0.076 -3.004 8.395 207 HB2 LYS 27 2HB LYS 27 2.292 -4.384 7.142 208 HB3 LYS 27 1HB LYS 27 2.135 -4.212 8.886 209 HG2 LYS 27 2HG LYS 27 0.161 -5.600 7.069 210 HG3 LYS 27 1HG LYS 27 1.340 -6.394 8.115 211 HD2 LYS 27 2HD LYS 27 0.251 -5.345 10.082 212 HD3 LYS 27 1HD LYS 27 -0.954 -4.634 9.009 213 HE2 LYS 27 2HE LYS 27 -1.663 -6.887 8.325 214 HE3 LYS 27 1HE LYS 27 -0.462 -7.589 9.407 215 HZ1 LYS 27 3HZ LYS 27 -1.604 -6.590 11.281 216 HZ2 LYS 27 1HZ LYS 27 -2.667 -7.563 10.401 217 HZ3 LYS 27 2HZ LYS 27 -2.746 -5.884 10.251 218 H ASP 28 H ASP 28 1.895 -1.163 6.270 219 HA ASP 28 HA ASP 28 3.098 0.238 8.579 220 HB2 ASP 28 2HB ASP 28 4.704 -0.636 6.911 221 HB3 ASP 28 1HB ASP 28 3.954 0.378 5.677 222 H LEU 29 H LEU 29 1.443 0.897 5.473 223 HA LEU 29 HA LEU 29 1.073 3.683 6.071 224 HB2 LEU 29 2HB LEU 29 -0.150 1.877 3.980 225 HB3 LEU 29 1HB LEU 29 -0.577 3.570 4.133 226 HG LEU 29 HG LEU 29 1.023 3.333 2.357 227 HD11 LEU 29 1HD1 LEU 29 1.224 5.348 3.678 228 HD12 LEU 29 2HD1 LEU 29 2.813 4.825 3.126 229 HD13 LEU 29 3HD1 LEU 29 2.324 4.540 4.797 230 HD21 LEU 29 3HD2 LEU 29 2.044 1.219 3.022 231 HD22 LEU 29 1HD2 LEU 29 2.862 2.022 4.363 232 HD23 LEU 29 2HD2 LEU 29 3.274 2.441 2.700 233 H LEU 30 H LEU 30 -1.098 0.862 6.051 234 HA LEU 30 HA LEU 30 -3.247 2.302 7.380 235 HB2 LEU 30 2HB LEU 30 -3.583 0.539 5.624 236 HB3 LEU 30 1HB LEU 30 -2.966 -0.646 6.753 237 HG LEU 30 HG LEU 30 -4.885 -0.091 8.278 238 HD11 LEU 30 1HD1 LEU 30 -5.415 2.125 7.455 239 HD12 LEU 30 2HD1 LEU 30 -6.819 1.069 7.305 240 HD13 LEU 30 3HD1 LEU 30 -5.855 1.463 5.881 241 HD21 LEU 30 3HD2 LEU 30 -4.921 -2.062 6.852 242 HD22 LEU 30 1HD2 LEU 30 -5.569 -1.105 5.517 243 HD23 LEU 30 2HD2 LEU 30 -6.531 -1.355 6.975 244 H LYS 31 H LYS 31 -0.636 1.990 8.715 245 HA LYS 31 HA LYS 31 -0.667 -0.086 10.651 246 HB2 LYS 31 2HB LYS 31 1.376 0.891 9.787 247 HB3 LYS 31 1HB LYS 31 0.938 2.463 10.429 248 HG2 LYS 31 2HG LYS 31 1.284 1.731 12.671 249 HG3 LYS 31 1HG LYS 31 1.446 0.048 12.157 250 HD2 LYS 31 2HD LYS 31 3.633 1.111 12.639 251 HD3 LYS 31 1HD LYS 31 3.498 0.563 10.968 252 HE2 LYS 31 2HE LYS 31 2.820 2.935 10.383 253 HE3 LYS 31 1HE LYS 31 3.300 3.383 12.017 254 HZ1 LYS 31 3HZ LYS 31 5.529 2.507 11.511 255 HZ2 LYS 31 1HZ LYS 31 5.091 3.798 10.509 256 HZ3 LYS 31 2HZ LYS 31 5.042 2.216 9.917 257 H ASP 32 H ASP 32 -1.470 3.384 10.850 258 HA ASP 32 HA ASP 32 -2.133 3.111 13.684 259 HB2 ASP 32 2HB ASP 32 -1.973 5.512 11.857 260 HB3 ASP 32 1HB ASP 32 -2.466 5.601 13.547 261 H MET 33 H MET 33 -3.749 4.081 10.665 262 HA MET 33 HA MET 33 -6.283 4.479 11.986 263 HB2 MET 33 2HB MET 33 -7.136 4.957 9.705 264 HB3 MET 33 1HB MET 33 -5.739 5.929 10.140 265 HG2 MET 33 2HG MET 33 -5.653 3.462 8.413 266 HG3 MET 33 1HG MET 33 -5.668 5.119 7.816 267 HE1 MET 33 3HE MET 33 -3.668 6.827 8.100 268 HE2 MET 33 1HE MET 33 -2.228 6.493 9.060 269 HE3 MET 33 2HE MET 33 -3.798 6.650 9.850 270 H ASN 34 H ASN 34 -8.286 3.456 10.918 271 HA ASN 34 HA ASN 34 -7.951 0.586 11.257 272 HB2 ASN 34 2HB ASN 34 -10.442 2.292 11.062 273 HB3 ASN 34 1HB ASN 34 -10.425 0.564 11.409 274 HD21 ASN 34 1HD2 ASN 34 -11.313 2.899 13.007 275 HD22 ASN 34 2HD2 ASN 34 -10.462 2.760 14.502 276 H GLN 35 H GLN 35 -9.072 -0.953 9.895 277 HA GLN 35 HA GLN 35 -8.081 -0.873 7.304 278 HB2 GLN 35 2HB GLN 35 -10.330 -2.603 8.347 279 HB3 GLN 35 1HB GLN 35 -9.330 -2.946 6.941 280 HG2 GLN 35 2HG GLN 35 -7.386 -3.245 8.307 281 HG3 GLN 35 1HG GLN 35 -8.241 -2.671 9.738 282 HE21 GLN 35 1HE2 GLN 35 -7.766 -5.329 7.568 283 HE22 GLN 35 2HE2 GLN 35 -8.597 -6.513 8.517 284 H SER 36 H SER 36 -11.524 -0.599 8.248 285 HA SER 36 HA SER 36 -12.569 -0.421 5.659 286 HB2 SER 36 2HB SER 36 -13.975 -0.886 7.602 287 HB3 SER 36 1HB SER 36 -13.690 0.738 8.225 288 HG SER 36 HG SER 36 -15.480 1.119 7.156 289 H SER 37 H SER 37 -11.170 2.096 7.665 290 HA SER 37 HA SER 37 -12.182 4.364 6.355 291 HB2 SER 37 2HB SER 37 -11.004 4.521 8.495 292 HB3 SER 37 1HB SER 37 -9.497 4.033 7.724 293 HG SER 37 HG SER 37 -9.241 5.992 6.970 294 H LEU 38 H LEU 38 -9.694 2.144 5.385 295 HA LEU 38 HA LEU 38 -8.366 3.893 3.537 296 HB2 LEU 38 2HB LEU 38 -7.294 1.949 4.668 297 HB3 LEU 38 1HB LEU 38 -8.291 0.875 3.706 298 HG LEU 38 HG LEU 38 -7.203 1.772 1.648 299 HD11 LEU 38 1HD1 LEU 38 -5.396 3.200 3.603 300 HD12 LEU 38 2HD1 LEU 38 -6.542 3.960 2.498 301 HD13 LEU 38 3HD1 LEU 38 -5.151 3.087 1.859 302 HD21 LEU 38 3HD2 LEU 38 -5.297 0.634 3.699 303 HD22 LEU 38 1HD2 LEU 38 -5.091 0.589 1.946 304 HD23 LEU 38 2HD2 LEU 38 -6.416 -0.297 2.702 305 H ALA 39 H ALA 39 -11.294 2.172 3.387 306 HA ALA 39 HA ALA 39 -11.391 1.291 0.724 307 HB1 ALA 39 3HB ALA 39 -13.829 1.307 0.986 308 HB2 ALA 39 1HB ALA 39 -13.662 2.264 2.459 309 HB3 ALA 39 2HB ALA 39 -13.026 0.620 2.399 310 H LYS 40 H LYS 40 -11.613 4.515 1.997 311 HA LYS 40 HA LYS 40 -12.773 5.654 -0.400 312 HB2 LYS 40 2HB LYS 40 -11.533 6.916 2.049 313 HB3 LYS 40 1HB LYS 40 -12.172 7.850 0.703 314 HG2 LYS 40 2HG LYS 40 -13.756 5.939 2.420 315 HG3 LYS 40 1HG LYS 40 -13.757 7.699 2.564 316 HD2 LYS 40 2HD LYS 40 -14.614 7.847 0.235 317 HD3 LYS 40 1HD LYS 40 -14.700 6.085 0.184 318 HE2 LYS 40 2HE LYS 40 -16.279 6.119 2.068 319 HE3 LYS 40 1HE LYS 40 -16.208 7.881 2.091 320 HZ1 LYS 40 3HZ LYS 40 -17.201 6.204 -0.151 321 HZ2 LYS 40 1HZ LYS 40 -17.105 7.892 -0.167 322 HZ3 LYS 40 2HZ LYS 40 -18.155 7.115 0.909 323 H GLU 41 H GLU 41 -9.544 5.482 1.054 324 HA GLU 41 HA GLU 41 -8.248 7.223 -0.760 325 HB2 GLU 41 2HB GLU 41 -6.962 4.941 0.756 326 HB3 GLU 41 1HB GLU 41 -6.178 6.401 0.170 327 HG2 GLU 41 2HG GLU 41 -8.179 6.173 2.410 328 HG3 GLU 41 1HG GLU 41 -6.465 6.564 2.538 329 H CYS 42 H CYS 42 -7.942 3.672 -0.534 330 HA CYS 42 HA CYS 42 -6.897 3.527 -3.234 331 HB2 CYS 42 2HB CYS 42 -6.606 1.145 -2.792 332 HB3 CYS 42 1HB CYS 42 -5.968 2.090 -1.450 333 HG CYS 42 HG CYS 42 -8.844 1.636 -0.359 334 HA PRO 43 HA PRO 43 -10.892 2.696 -5.110 335 HB2 PRO 43 2HB PRO 43 -9.420 1.511 -7.367 336 HB3 PRO 43 1HB PRO 43 -10.412 2.971 -7.324 337 HG2 PRO 43 2HG PRO 43 -7.730 3.072 -7.586 338 HG3 PRO 43 1HG PRO 43 -8.637 4.313 -6.700 339 HD2 PRO 43 2HD PRO 43 -7.079 1.981 -5.622 340 HD3 PRO 43 1HD PRO 43 -7.110 3.668 -5.058 341 H LEU 44 H LEU 44 -9.536 0.566 -3.393 342 HA LEU 44 HA LEU 44 -10.364 -1.892 -4.774 343 HB2 LEU 44 2HB LEU 44 -8.739 -1.555 -2.243 344 HB3 LEU 44 1HB LEU 44 -9.057 -3.069 -3.072 345 HG LEU 44 HG LEU 44 -7.437 -0.773 -4.198 346 HD11 LEU 44 1HD1 LEU 44 -5.510 -2.258 -3.896 347 HD12 LEU 44 2HD1 LEU 44 -6.547 -3.437 -3.093 348 HD13 LEU 44 3HD1 LEU 44 -6.276 -1.855 -2.361 349 HD21 LEU 44 3HD2 LEU 44 -8.543 -2.016 -5.965 350 HD22 LEU 44 1HD2 LEU 44 -7.960 -3.540 -5.292 351 HD23 LEU 44 2HD2 LEU 44 -6.817 -2.375 -5.960 352 H SER 45 H SER 45 -11.115 -3.618 -3.008 353 HA SER 45 HA SER 45 -13.466 -2.450 -1.709 354 HB2 SER 45 2HB SER 45 -14.311 -4.745 -1.573 355 HB3 SER 45 1HB SER 45 -13.800 -4.377 -3.219 356 HG SER 45 HG SER 45 -13.038 -6.411 -2.588 357 H GLN 46 H GLN 46 -13.970 -2.722 0.460 358 HA GLN 46 HA GLN 46 -11.880 -2.850 2.334 359 HB2 GLN 46 2HB GLN 46 -13.969 -1.723 2.851 360 HB3 GLN 46 1HB GLN 46 -14.865 -3.225 2.707 361 HG2 GLN 46 2HG GLN 46 -12.716 -3.358 4.694 362 HG3 GLN 46 1HG GLN 46 -13.918 -2.119 5.046 363 HE21 GLN 46 1HE2 GLN 46 -13.389 -5.543 4.609 364 HE22 GLN 46 2HE2 GLN 46 -14.863 -6.058 5.342 365 H SER 47 H SER 47 -13.818 -5.345 0.880 366 HA SER 47 HA SER 47 -13.446 -7.505 2.572 367 HB2 SER 47 2HB SER 47 -14.793 -7.616 0.515 368 HB3 SER 47 1HB SER 47 -13.329 -7.515 -0.462 369 HG SER 47 HG SER 47 -14.197 -9.620 1.222 370 H MET 48 H MET 48 -11.254 -6.499 -0.074 371 HA MET 48 HA MET 48 -9.191 -8.346 0.449 372 HB2 MET 48 2HB MET 48 -8.899 -5.558 -0.711 373 HB3 MET 48 1HB MET 48 -7.757 -6.882 -0.888 374 HG2 MET 48 2HG MET 48 -9.431 -8.143 -2.166 375 HG3 MET 48 1HG MET 48 -10.551 -6.787 -2.013 376 HE1 MET 48 3HE MET 48 -9.958 -7.920 -4.838 377 HE2 MET 48 1HE MET 48 -9.600 -6.464 -5.768 378 HE3 MET 48 2HE MET 48 -10.912 -6.458 -4.589 379 H ILE 49 H ILE 49 -9.701 -5.033 1.588 380 HA ILE 49 HA ILE 49 -7.219 -4.756 2.943 381 HB ILE 49 HB ILE 49 -9.785 -3.215 3.426 382 HG12 ILE 49 2HG1 ILE 49 -7.525 -2.607 1.496 383 HG13 ILE 49 1HG1 ILE 49 -9.100 -3.240 1.032 384 HG21 ILE 49 1HG2 ILE 49 -8.106 -2.863 5.168 385 HG22 ILE 49 2HG2 ILE 49 -8.296 -1.413 4.183 386 HG23 ILE 49 3HG2 ILE 49 -6.900 -2.465 3.944 387 HD11 ILE 49 3HD1 ILE 49 -10.160 -1.203 1.858 388 HD12 ILE 49 1HD1 ILE 49 -8.946 -0.851 0.629 389 HD13 ILE 49 2HD1 ILE 49 -8.583 -0.572 2.333 390 H SER 50 H SER 50 -10.251 -6.184 3.886 391 HA SER 50 HA SER 50 -9.766 -5.933 6.729 392 HB2 SER 50 2HB SER 50 -12.069 -5.857 5.919 393 HB3 SER 50 1HB SER 50 -11.906 -7.480 5.245 394 HG SER 50 HG SER 50 -12.397 -6.692 7.827 395 H SER 51 H SER 51 -9.785 -8.634 4.386 396 HA SER 51 HA SER 51 -9.010 -10.477 6.530 397 HB2 SER 51 2HB SER 51 -10.844 -11.159 5.062 398 HB3 SER 51 1HB SER 51 -9.783 -11.042 3.657 399 HG SER 51 HG SER 51 -9.547 -13.110 4.127 400 H ILE 52 H ILE 52 -7.874 -9.825 3.189 401 HA ILE 52 HA ILE 52 -5.736 -11.596 3.204 402 HB ILE 52 HB ILE 52 -5.913 -8.994 1.663 403 HG12 ILE 52 2HG1 ILE 52 -6.799 -11.800 0.916 404 HG13 ILE 52 1HG1 ILE 52 -7.866 -10.457 1.312 405 HG21 ILE 52 1HG2 ILE 52 -4.382 -10.049 0.066 406 HG22 ILE 52 2HG2 ILE 52 -4.262 -11.470 1.105 407 HG23 ILE 52 3HG2 ILE 52 -3.640 -9.915 1.659 408 HD11 ILE 52 3HD1 ILE 52 -6.019 -10.633 -1.060 409 HD12 ILE 52 1HD1 ILE 52 -7.025 -9.241 -0.650 410 HD13 ILE 52 2HD1 ILE 52 -7.777 -10.780 -1.069 411 H VAL 53 H VAL 53 -5.846 -8.329 4.477 412 HA VAL 53 HA VAL 53 -3.153 -7.677 4.610 413 HB VAL 53 HB VAL 53 -4.960 -6.105 5.115 414 HG11 VAL 53 1HG1 VAL 53 -6.425 -7.583 6.391 415 HG12 VAL 53 2HG1 VAL 53 -6.075 -6.113 7.301 416 HG13 VAL 53 3HG1 VAL 53 -5.259 -7.621 7.715 417 HG21 VAL 53 3HG2 VAL 53 -3.900 -4.935 6.993 418 HG22 VAL 53 1HG2 VAL 53 -2.696 -5.574 5.873 419 HG23 VAL 53 2HG2 VAL 53 -3.002 -6.397 7.403 420 H ASN 54 H ASN 54 -4.962 -9.867 6.687 421 HA ASN 54 HA ASN 54 -2.699 -10.027 8.563 422 HB2 ASN 54 2HB ASN 54 -5.552 -11.000 8.802 423 HB3 ASN 54 1HB ASN 54 -4.311 -11.256 10.026 424 HD21 ASN 54 1HD2 ASN 54 -6.828 -9.763 10.151 425 HD22 ASN 54 2HD2 ASN 54 -6.391 -8.165 10.637 426 H SER 55 H SER 55 -3.434 -11.521 5.792 427 HA SER 55 HA SER 55 -2.895 -14.251 6.714 428 HB2 SER 55 2HB SER 55 -4.609 -13.960 4.967 429 HB3 SER 55 1HB SER 55 -3.401 -13.241 3.899 430 HG SER 55 HG SER 55 -3.980 -15.749 4.039 431 H THR 56 H THR 56 -0.790 -14.340 7.343 432 HA THR 56 HA THR 56 1.335 -13.074 5.854 433 HB THR 56 HB THR 56 2.838 -14.089 7.528 434 HG1 THR 56 HG1 THR 56 2.195 -15.800 8.581 435 HG21 THR 56 3HG2 THR 56 1.946 -12.966 9.520 436 HG22 THR 56 1HG2 THR 56 0.355 -12.868 8.760 437 HG23 THR 56 2HG2 THR 56 1.716 -11.973 8.080 438 H TYR 57 H TYR 57 -0.315 -15.479 4.743 439 HA TYR 57 HA TYR 57 1.957 -16.725 3.439 440 HB2 TYR 57 2HB TYR 57 1.319 -19.023 3.996 441 HB3 TYR 57 1HB TYR 57 1.686 -18.113 5.455 442 HD1 TYR 57 HD2 TYR 57 -0.215 -17.314 6.911 443 HD2 TYR 57 HD1 TYR 57 -0.823 -20.020 3.676 444 HE1 TYR 57 HE2 TYR 57 -2.389 -17.956 7.859 445 HE2 TYR 57 HE1 TYR 57 -2.995 -20.673 4.625 446 HH TYR 57 HH TYR 57 -4.147 -20.679 6.743 447 H TYR 58 H TYR 58 -0.545 -15.109 2.777 448 HA TYR 58 HA TYR 58 -2.393 -16.821 1.486 449 HB2 TYR 58 2HB TYR 58 -2.842 -14.435 2.197 450 HB3 TYR 58 1HB TYR 58 -1.932 -13.914 0.782 451 HD1 TYR 58 HD2 TYR 58 -4.637 -16.390 1.534 452 HD2 TYR 58 HD1 TYR 58 -3.254 -13.284 -1.032 453 HE1 TYR 58 HE2 TYR 58 -6.663 -16.627 0.168 454 HE2 TYR 58 HE1 TYR 58 -5.280 -13.518 -2.408 455 HH TYR 58 HH TYR 58 -6.972 -15.218 -2.911 456 H ALA 59 H ALA 59 -0.036 -14.602 -0.055 457 HA ALA 59 HA ALA 59 1.290 -14.810 -1.885 458 HB1 ALA 59 3HB ALA 59 1.859 -17.000 -2.761 459 HB2 ALA 59 1HB ALA 59 0.515 -17.725 -1.875 460 HB3 ALA 59 2HB ALA 59 1.870 -17.016 -0.998 461 H ASN 60 H ASN 60 -1.969 -16.091 -2.165 462 HA ASN 60 HA ASN 60 -2.111 -16.151 -5.002 463 HB2 ASN 60 2HB ASN 60 -3.604 -17.469 -3.585 464 HB3 ASN 60 1HB ASN 60 -4.296 -16.002 -2.910 465 HD21 ASN 60 1HD2 ASN 60 -3.535 -16.671 -6.301 466 HD22 ASN 60 2HD2 ASN 60 -5.168 -16.559 -6.853 467 H VAL 61 H VAL 61 -1.733 -13.482 -3.098 468 HA VAL 61 HA VAL 61 -3.537 -11.573 -3.989 469 HB VAL 61 HB VAL 61 -0.569 -11.126 -3.562 470 HG11 VAL 61 1HG1 VAL 61 -1.624 -9.241 -4.672 471 HG12 VAL 61 2HG1 VAL 61 -1.229 -8.814 -3.008 472 HG13 VAL 61 3HG1 VAL 61 -2.894 -9.195 -3.449 473 HG21 VAL 61 3HG2 VAL 61 -2.837 -11.018 -1.565 474 HG22 VAL 61 1HG2 VAL 61 -1.171 -10.531 -1.250 475 HG23 VAL 61 2HG2 VAL 61 -1.542 -12.217 -1.618 476 H SER 62 H SER 62 -4.129 -11.231 -6.057 477 HA SER 62 HA SER 62 -2.371 -11.983 -8.228 478 HB2 SER 62 2HB SER 62 -5.220 -10.961 -8.252 479 HB3 SER 62 1HB SER 62 -4.345 -11.562 -9.662 480 HG SER 62 HG SER 62 -4.589 -13.142 -7.330 481 H ALA 63 H ALA 63 -3.036 -10.335 -10.311 482 HA ALA 63 HA ALA 63 -1.183 -8.176 -9.735 483 HB1 ALA 63 3HB ALA 63 -1.007 -7.930 -12.131 484 HB2 ALA 63 1HB ALA 63 -2.396 -8.991 -12.370 485 HB3 ALA 63 2HB ALA 63 -0.901 -9.637 -11.698 486 H ALA 64 H ALA 64 -4.475 -8.381 -11.142 487 HA ALA 64 HA ALA 64 -4.843 -5.757 -11.889 488 HB1 ALA 64 3HB ALA 64 -6.417 -7.576 -12.392 489 HB2 ALA 64 1HB ALA 64 -7.234 -6.152 -11.747 490 HB3 ALA 64 2HB ALA 64 -6.963 -7.556 -10.714 491 H LYS 65 H LYS 65 -5.907 -7.114 -8.755 492 HA LYS 65 HA LYS 65 -6.710 -4.618 -7.696 493 HB2 LYS 65 2HB LYS 65 -6.911 -5.804 -5.548 494 HB3 LYS 65 1HB LYS 65 -7.661 -6.676 -6.868 495 HG2 LYS 65 2HG LYS 65 -6.606 -8.346 -5.649 496 HG3 LYS 65 1HG LYS 65 -5.484 -8.036 -6.969 497 HD2 LYS 65 2HD LYS 65 -4.224 -8.269 -4.936 498 HD3 LYS 65 1HD LYS 65 -4.161 -6.579 -5.424 499 HE2 LYS 65 2HE LYS 65 -6.023 -7.709 -3.325 500 HE3 LYS 65 1HE LYS 65 -4.503 -6.890 -2.980 501 HZ1 LYS 65 3HZ LYS 65 -6.223 -5.312 -2.720 502 HZ2 LYS 65 1HZ LYS 65 -6.949 -5.728 -4.188 503 HZ3 LYS 65 2HZ LYS 65 -5.460 -4.924 -4.180 504 H CYS 66 H CYS 66 -3.630 -5.584 -8.334 505 HA CYS 66 HA CYS 66 -2.435 -3.972 -6.176 506 HB2 CYS 66 2HB CYS 66 -1.359 -6.120 -6.526 507 HB3 CYS 66 1HB CYS 66 -1.173 -5.794 -8.244 508 HG CYS 66 HG CYS 66 0.891 -4.131 -8.083 509 H GLN 67 H GLN 67 -2.986 -4.047 -9.644 510 HA GLN 67 HA GLN 67 -1.235 -1.874 -10.274 511 HB2 GLN 67 2HB GLN 67 -3.505 -3.120 -11.830 512 HB3 GLN 67 1HB GLN 67 -2.464 -1.854 -12.464 513 HG2 GLN 67 2HG GLN 67 -0.510 -3.388 -12.041 514 HG3 GLN 67 1HG GLN 67 -1.683 -4.653 -11.680 515 HE21 GLN 67 1HE2 GLN 67 -0.952 -5.902 -13.432 516 HE22 GLN 67 2HE2 GLN 67 -1.344 -5.488 -15.061 517 H GLU 68 H GLU 68 -4.802 -2.080 -9.896 518 HA GLU 68 HA GLU 68 -5.333 0.655 -10.228 519 HB2 GLU 68 2HB GLU 68 -6.764 -1.523 -8.720 520 HB3 GLU 68 1HB GLU 68 -7.343 0.135 -8.657 521 HG2 GLU 68 2HG GLU 68 -8.590 -0.992 -10.331 522 HG3 GLU 68 1HG GLU 68 -7.489 0.113 -11.146 523 H PHE 69 H PHE 69 -4.279 -1.123 -7.366 524 HA PHE 69 HA PHE 69 -4.484 1.018 -5.519 525 HB2 PHE 69 2HB PHE 69 -4.231 -1.326 -4.812 526 HB3 PHE 69 1HB PHE 69 -2.610 -1.367 -5.495 527 HD1 PHE 69 HD1 PHE 69 -4.697 0.217 -2.872 528 HD2 PHE 69 HD2 PHE 69 -0.750 -0.631 -4.237 529 HE1 PHE 69 HE1 PHE 69 -3.785 0.993 -0.721 530 HE2 PHE 69 HE2 PHE 69 0.160 0.150 -2.091 531 HZ PHE 69 HZ PHE 69 -1.354 0.962 -0.330 532 H GLY 70 H GLY 70 -1.701 -0.222 -7.370 533 HA2 GLY 70 2HA GLY 70 0.181 1.711 -6.610 534 HA3 GLY 70 1HA GLY 70 0.223 0.785 -8.102 535 H ARG 71 H ARG 71 -2.281 1.797 -9.138 536 HA ARG 71 HA ARG 71 -1.517 4.022 -10.608 537 HB2 ARG 71 2HB ARG 71 -3.615 2.376 -10.720 538 HB3 ARG 71 1HB ARG 71 -4.409 3.684 -9.867 539 HG2 ARG 71 2HG ARG 71 -3.046 3.941 -12.548 540 HG3 ARG 71 1HG ARG 71 -4.774 3.714 -12.310 541 HD2 ARG 71 2HD ARG 71 -4.675 5.991 -12.581 542 HD3 ARG 71 1HD ARG 71 -4.543 5.871 -10.828 543 HE ARG 71 HE ARG 71 -1.969 5.876 -11.579 544 HH11 ARG 71 1HH1 ARG 71 -4.606 7.907 -12.453 545 HH12 ARG 71 2HH1 ARG 71 -3.599 9.283 -12.724 546 HH21 ARG 71 1HH2 ARG 71 -0.678 7.642 -11.960 547 HH22 ARG 71 2HH2 ARG 71 -1.400 9.133 -12.464 548 H TRP 72 H TRP 72 -3.630 3.960 -7.747 549 HA TRP 72 HA TRP 72 -3.820 6.721 -7.304 550 HB2 TRP 72 2HB TRP 72 -5.356 5.298 -6.183 551 HB3 TRP 72 1HB TRP 72 -4.071 4.305 -5.510 552 HD1 TRP 72 HD TRP 72 -5.533 7.881 -5.073 553 HE1 TRP 72 HE1 TRP 72 -5.183 8.574 -2.615 554 HE3 TRP 72 HE3 TRP 72 -2.871 3.819 -3.449 555 HZ2 TRP 72 HZ2 TRP 72 -3.953 7.532 -0.299 556 HZ3 TRP 72 HZ3 TRP 72 -2.150 3.746 -1.095 557 HH2 TRP 72 HH TRP 72 -2.680 5.567 0.445 558 H TYR 73 H TYR 73 -1.609 4.344 -5.834 559 HA TYR 73 HA TYR 73 -0.279 5.999 -4.057 560 HB2 TYR 73 2HB TYR 73 -0.096 3.554 -4.058 561 HB3 TYR 73 1HB TYR 73 0.812 3.607 -5.564 562 HD1 TYR 73 HD2 TYR 73 0.934 4.336 -1.949 563 HD2 TYR 73 HD1 TYR 73 3.164 4.160 -5.577 564 HE1 TYR 73 HE2 TYR 73 3.025 4.489 -0.664 565 HE2 TYR 73 HE1 TYR 73 5.258 4.319 -4.300 566 HH TYR 73 HH TYR 73 5.399 3.910 -0.929 567 H LYS 74 H LYS 74 0.637 5.304 -7.434 568 HA LYS 74 HA LYS 74 3.117 6.616 -7.398 569 HB2 LYS 74 2HB LYS 74 1.241 6.000 -9.685 570 HB3 LYS 74 1HB LYS 74 2.860 6.650 -9.913 571 HG2 LYS 74 2HG LYS 74 3.839 4.686 -8.881 572 HG3 LYS 74 1HG LYS 74 2.238 4.045 -8.519 573 HD2 LYS 74 2HD LYS 74 3.300 4.562 -11.306 574 HD3 LYS 74 1HD LYS 74 3.294 2.990 -10.503 575 HE2 LYS 74 2HE LYS 74 0.817 3.162 -10.309 576 HE3 LYS 74 1HE LYS 74 0.885 4.656 -11.245 577 HZ1 LYS 74 3HZ LYS 74 1.749 1.970 -12.182 578 HZ2 LYS 74 1HZ LYS 74 1.855 3.402 -13.080 579 HZ3 LYS 74 2HZ LYS 74 0.341 2.786 -12.649 580 H HIS 75 H HIS 75 -0.107 7.929 -7.804 581 HA HIS 75 HA HIS 75 1.009 10.559 -8.515 582 HB2 HIS 75 2HB HIS 75 -0.841 9.835 -9.914 583 HB3 HIS 75 1HB HIS 75 -1.849 9.557 -8.498 584 HD1 HIS 75 HD1 HIS 75 -3.139 11.510 -7.591 585 HD2 HIS 75 HD2 HIS 75 -0.356 12.634 -10.463 586 HE1 HIS 75 HE1 HIS 75 -3.596 13.930 -8.052 587 HE2 HIS 75 HE2 HIS 75 -1.791 14.633 -9.660 588 H PHE 76 H PHE 76 -0.456 8.850 -5.882 589 HA PHE 76 HA PHE 76 -1.683 10.848 -4.415 590 HB2 PHE 76 2HB PHE 76 -1.929 8.522 -3.827 591 HB3 PHE 76 1HB PHE 76 -0.213 8.382 -3.458 592 HD1 PHE 76 HD1 PHE 76 -3.191 10.406 -2.436 593 HD2 PHE 76 HD2 PHE 76 0.415 8.473 -1.242 594 HE1 PHE 76 HE1 PHE 76 -3.663 10.976 -0.091 595 HE2 PHE 76 HE2 PHE 76 -0.056 9.040 1.103 596 HZ PHE 76 HZ PHE 76 -2.097 10.292 1.680 597 H LYS 77 H LYS 77 1.750 9.886 -4.290 598 HA LYS 77 HA LYS 77 2.406 11.728 -2.193 599 HB2 LYS 77 2HB LYS 77 4.121 10.136 -4.104 600 HB3 LYS 77 1HB LYS 77 4.792 11.170 -2.852 601 HG2 LYS 77 2HG LYS 77 3.654 9.826 -1.137 602 HG3 LYS 77 1HG LYS 77 3.019 8.770 -2.404 603 HD2 LYS 77 2HD LYS 77 5.240 8.074 -3.023 604 HD3 LYS 77 1HD LYS 77 5.965 9.265 -1.941 605 HE2 LYS 77 2HE LYS 77 5.018 8.086 -0.013 606 HE3 LYS 77 1HE LYS 77 4.281 6.904 -1.095 607 HZ1 LYS 77 3HZ LYS 77 6.408 6.188 -0.068 608 HZ2 LYS 77 1HZ LYS 77 7.201 7.396 -0.944 609 HZ3 LYS 77 2HZ LYS 77 6.414 6.134 -1.759 610 H LYS 78 H LYS 78 1.599 12.406 -5.333 611 HA LYS 78 HA LYS 78 2.109 13.989 -6.900 612 HB2 LYS 78 2HB LYS 78 1.338 15.373 -4.919 613 HB3 LYS 78 1HB LYS 78 3.033 15.642 -4.537 614 HG2 LYS 78 2HG LYS 78 3.340 16.704 -6.745 615 HG3 LYS 78 1HG LYS 78 1.623 16.472 -7.074 616 HD2 LYS 78 2HD LYS 78 2.015 18.747 -6.332 617 HD3 LYS 78 1HD LYS 78 1.083 17.877 -5.112 618 HE2 LYS 78 2HE LYS 78 3.119 17.533 -3.794 619 HE3 LYS 78 1HE LYS 78 4.063 18.367 -5.028 620 HZ1 LYS 78 3HZ LYS 78 3.561 19.837 -3.198 621 HZ2 LYS 78 1HZ LYS 78 1.902 19.567 -3.387 622 HZ3 LYS 78 2HZ LYS 78 2.770 20.370 -4.594 623 H THR 79 H THR 79 4.135 12.071 -6.349 624 HA THR 79 HA THR 79 6.706 13.424 -6.272 625 HB THR 79 HB THR 79 6.434 11.348 -5.024 626 HG1 THR 79 HG1 THR 79 8.198 11.051 -7.255 627 HG21 THR 79 3HG2 THR 79 4.753 10.265 -6.449 628 HG22 THR 79 1HG2 THR 79 6.121 9.194 -6.137 629 HG23 THR 79 2HG2 THR 79 5.976 10.007 -7.694 630 H LYS 80 H LYS 80 5.196 14.129 -8.543 631 HA LYS 80 HA LYS 80 6.829 12.968 -10.713 632 HB2 LYS 80 2HB LYS 80 4.516 12.157 -10.912 633 HB3 LYS 80 1HB LYS 80 3.919 13.813 -10.880 634 HG2 LYS 80 2HG LYS 80 5.082 14.270 -12.992 635 HG3 LYS 80 1HG LYS 80 5.679 12.609 -13.019 636 HD2 LYS 80 2HD LYS 80 3.370 11.782 -13.119 637 HD3 LYS 80 1HD LYS 80 2.772 13.443 -13.090 638 HE2 LYS 80 2HE LYS 80 3.902 13.902 -15.201 639 HE3 LYS 80 1HE LYS 80 4.556 12.264 -15.225 640 HZ1 LYS 80 3HZ LYS 80 2.293 11.416 -15.321 641 HZ2 LYS 80 1HZ LYS 80 2.621 12.435 -16.630 642 HZ3 LYS 80 2HZ LYS 80 1.684 12.990 -15.338 643 H ASP 81 H ASP 81 7.742 14.404 -12.135 644 HA ASP 81 HA ASP 81 7.972 17.131 -11.353 645 HB2 ASP 81 2HB ASP 81 8.795 15.890 -13.993 646 HB3 ASP 81 1HB ASP 81 9.414 17.381 -13.287 647 H MET 82 H MET 82 6.933 15.926 -14.555 648 HA MET 82 HA MET 82 5.255 16.492 -15.970 649 HB2 MET 82 2HB MET 82 3.751 16.108 -14.096 650 HB3 MET 82 1HB MET 82 4.022 17.740 -13.503 651 HG2 MET 82 2HG MET 82 2.955 18.649 -15.502 652 HG3 MET 82 1HG MET 82 2.699 17.014 -16.112 653 HE1 MET 82 3HE MET 82 0.410 19.255 -15.744 654 HE2 MET 82 1HE MET 82 -0.901 18.253 -15.122 655 HE3 MET 82 2HE MET 82 0.121 17.655 -16.428 656 H MET 83 H MET 83 4.989 18.056 -17.494 657 HA MET 83 HA MET 83 6.459 20.521 -17.166 658 HB2 MET 83 2HB MET 83 5.781 20.901 -19.579 659 HB3 MET 83 1HB MET 83 6.737 19.463 -19.263 660 HG2 MET 83 2HG MET 83 4.722 18.088 -19.362 661 HG3 MET 83 1HG MET 83 3.747 19.526 -19.655 662 HE1 MET 83 3HE MET 83 5.056 20.676 -23.172 663 HE2 MET 83 1HE MET 83 5.692 21.192 -21.611 664 HE3 MET 83 2HE MET 83 3.951 21.025 -21.843 Start of MODEL 5 1 H1 MET 1 1H MET 1 -2.874 -7.741 14.960 2 H2 MET 1 2H MET 1 -2.380 -6.892 16.333 3 H3 MET 1 3H MET 1 -1.635 -8.356 15.936 4 HA MET 1 HA MET 1 -0.717 -7.400 13.930 5 HB2 MET 1 2HB MET 1 -2.503 -5.802 13.467 6 HB3 MET 1 1HB MET 1 -2.091 -4.882 14.906 7 HG2 MET 1 2HG MET 1 0.076 -4.310 13.921 8 HG3 MET 1 1HG MET 1 -0.339 -5.234 12.477 9 HE1 MET 1 3HE MET 1 -0.497 -1.475 11.308 10 HE2 MET 1 1HE MET 1 0.237 -3.053 11.019 11 HE3 MET 1 2HE MET 1 0.604 -2.166 12.499 12 H GLY 2 H GLY 2 1.430 -6.707 14.046 13 HA2 GLY 2 2HA GLY 2 2.492 -4.960 15.966 14 HA3 GLY 2 1HA GLY 2 2.631 -6.586 16.611 15 H HIS 3 H HIS 3 4.749 -7.011 16.504 16 HA HIS 3 HA HIS 3 6.793 -7.539 15.672 17 HB2 HIS 3 2HB HIS 3 5.574 -7.155 12.923 18 HB3 HIS 3 1HB HIS 3 7.103 -7.954 13.283 19 HD1 HIS 3 HD1 HIS 3 3.475 -8.552 13.095 20 HD2 HIS 3 HD2 HIS 3 6.811 -10.474 14.644 21 HE1 HIS 3 HE1 HIS 3 2.735 -10.902 13.563 22 HE2 HIS 3 HE2 HIS 3 4.794 -12.073 14.401 23 H HIS 4 H HIS 4 5.585 -5.028 13.411 24 HA HIS 4 HA HIS 4 6.030 -2.807 13.258 25 HB2 HIS 4 2HB HIS 4 5.892 -2.761 15.690 26 HB3 HIS 4 1HB HIS 4 7.578 -3.237 15.819 27 HD1 HIS 4 HD1 HIS 4 9.203 -1.390 16.044 28 HD2 HIS 4 HD2 HIS 4 5.602 -0.084 14.442 29 HE1 HIS 4 HE1 HIS 4 9.407 1.097 15.890 30 HE2 HIS 4 HE2 HIS 4 7.148 1.875 15.124 31 H HIS 5 H HIS 5 8.805 -4.931 13.647 32 HA HIS 5 HA HIS 5 10.771 -2.969 12.965 33 HB2 HIS 5 2HB HIS 5 10.920 -5.984 13.161 34 HB3 HIS 5 1HB HIS 5 12.313 -4.958 12.826 35 HD1 HIS 5 HD1 HIS 5 9.917 -5.886 15.554 36 HD2 HIS 5 HD2 HIS 5 13.332 -3.578 15.039 37 HE1 HIS 5 HE1 HIS 5 10.662 -5.272 17.864 38 HE2 HIS 5 HE2 HIS 5 12.788 -3.969 17.536 39 H HIS 6 H HIS 6 11.828 -2.575 11.119 40 HA HIS 6 HA HIS 6 11.542 -4.275 8.769 41 HB2 HIS 6 2HB HIS 6 10.642 -1.388 8.856 42 HB3 HIS 6 1HB HIS 6 11.114 -2.170 7.352 43 HD1 HIS 6 HD1 HIS 6 9.654 -4.431 6.815 44 HD2 HIS 6 HD2 HIS 6 8.014 -1.670 9.442 45 HE1 HIS 6 HE1 HIS 6 7.200 -4.910 6.833 46 HE2 HIS 6 HE2 HIS 6 6.222 -3.021 8.170 47 H HIS 7 H HIS 7 12.779 -2.757 6.896 48 HA HIS 7 HA HIS 7 15.136 -1.474 8.098 49 HB2 HIS 7 2HB HIS 7 16.623 -2.562 6.459 50 HB3 HIS 7 1HB HIS 7 15.857 -3.741 7.515 51 HD1 HIS 7 HD1 HIS 7 15.840 -2.523 3.948 52 HD2 HIS 7 HD2 HIS 7 14.247 -5.605 6.243 53 HE1 HIS 7 HE1 HIS 7 14.851 -4.145 2.312 54 HE2 HIS 7 HE2 HIS 7 14.067 -6.077 3.710 55 H HIS 8 H HIS 8 16.405 -0.283 6.239 56 HA HIS 8 HA HIS 8 14.593 1.565 5.095 57 HB2 HIS 8 2HB HIS 8 16.483 2.685 4.190 58 HB3 HIS 8 1HB HIS 8 17.007 2.016 5.727 59 HD1 HIS 8 HD1 HIS 8 18.657 -0.072 5.593 60 HD2 HIS 8 HD2 HIS 8 17.875 1.823 1.975 61 HE1 HIS 8 HE1 HIS 8 20.452 -0.851 4.018 62 HE2 HIS 8 HE2 HIS 8 20.035 0.408 1.882 63 H SER 9 H SER 9 13.788 1.809 3.019 64 HA SER 9 HA SER 9 14.329 -0.395 1.130 65 HB2 SER 9 2HB SER 9 11.909 -0.558 0.642 66 HB3 SER 9 1HB SER 9 12.262 -0.933 2.329 67 HG SER 9 HG SER 9 10.548 0.442 2.374 68 H HIS 10 H HIS 10 14.549 0.169 -0.957 69 HA HIS 10 HA HIS 10 13.963 2.953 -1.741 70 HB2 HIS 10 2HB HIS 10 15.614 0.858 -3.185 71 HB3 HIS 10 1HB HIS 10 15.451 2.548 -3.649 72 HD1 HIS 10 HD1 HIS 10 17.514 0.302 -1.701 73 HD2 HIS 10 HD2 HIS 10 16.622 4.359 -1.629 74 HE1 HIS 10 HE1 HIS 10 19.326 1.363 -0.334 75 HE2 HIS 10 HE2 HIS 10 18.671 3.786 -0.155 76 H MET 11 H MET 11 12.028 0.645 -1.491 77 HA MET 11 HA MET 11 11.242 -0.045 -4.173 78 HB2 MET 11 2HB MET 11 9.800 -0.473 -1.544 79 HB3 MET 11 1HB MET 11 9.372 -1.221 -3.078 80 HG2 MET 11 2HG MET 11 11.513 -2.393 -3.113 81 HG3 MET 11 1HG MET 11 11.963 -1.627 -1.590 82 HE1 MET 11 3HE MET 11 11.367 -5.347 -0.532 83 HE2 MET 11 1HE MET 11 12.495 -3.991 -0.520 84 HE3 MET 11 2HE MET 11 12.069 -4.773 -2.044 85 H LEU 12 H LEU 12 10.613 2.616 -2.120 86 HA LEU 12 HA LEU 12 7.950 3.225 -2.656 87 HB2 LEU 12 2HB LEU 12 10.231 5.150 -2.189 88 HB3 LEU 12 1HB LEU 12 8.528 5.559 -2.088 89 HG LEU 12 HG LEU 12 9.966 3.586 -0.298 90 HD11 LEU 12 1HD1 LEU 12 8.942 6.367 0.270 91 HD12 LEU 12 2HD1 LEU 12 10.633 5.875 0.172 92 HD13 LEU 12 3HD1 LEU 12 9.607 5.253 1.465 93 HD21 LEU 12 3HD2 LEU 12 7.634 2.952 -0.642 94 HD22 LEU 12 1HD2 LEU 12 7.113 4.586 -0.218 95 HD23 LEU 12 2HD2 LEU 12 7.878 3.560 0.995 96 HA PRO 13 HA PRO 13 9.270 5.381 -6.792 97 HB2 PRO 13 2HB PRO 13 11.980 4.362 -7.319 98 HB3 PRO 13 1HB PRO 13 11.374 6.017 -7.415 99 HG2 PRO 13 2HG PRO 13 13.085 5.227 -5.485 100 HG3 PRO 13 1HG PRO 13 11.836 6.454 -5.193 101 HD2 PRO 13 2HD PRO 13 11.827 3.535 -4.476 102 HD3 PRO 13 1HD PRO 13 11.313 4.933 -3.506 103 HA PRO 14 HA PRO 14 7.928 1.503 -8.548 104 HB2 PRO 14 2HB PRO 14 8.275 2.865 -11.180 105 HB3 PRO 14 1HB PRO 14 6.851 2.065 -10.502 106 HG2 PRO 14 2HG PRO 14 6.978 4.725 -10.609 107 HG3 PRO 14 1HG PRO 14 6.275 3.910 -9.196 108 HD2 PRO 14 2HD PRO 14 8.984 5.160 -9.512 109 HD3 PRO 14 1HD PRO 14 7.871 5.215 -8.128 110 H GLU 15 H GLU 15 9.928 0.412 -7.968 111 HA GLU 15 HA GLU 15 11.549 -0.244 -10.350 112 HB2 GLU 15 2HB GLU 15 12.913 1.075 -8.801 113 HB3 GLU 15 1HB GLU 15 12.529 -0.034 -7.491 114 HG2 GLU 15 2HG GLU 15 13.662 -1.848 -8.755 115 HG3 GLU 15 1HG GLU 15 14.126 -0.664 -9.973 116 H GLN 16 H GLN 16 11.566 -1.626 -7.074 117 HA GLN 16 HA GLN 16 10.968 -4.256 -8.257 118 HB2 GLN 16 2HB GLN 16 12.028 -5.174 -6.172 119 HB3 GLN 16 1HB GLN 16 13.112 -4.251 -7.202 120 HG2 GLN 16 2HG GLN 16 12.765 -2.291 -5.697 121 HG3 GLN 16 1HG GLN 16 11.834 -3.339 -4.630 122 HE21 GLN 16 1HE2 GLN 16 14.997 -2.561 -5.829 123 HE22 GLN 16 2HE2 GLN 16 15.880 -3.496 -4.674 124 H TRP 17 H TRP 17 8.737 -4.178 -8.249 125 HA TRP 17 HA TRP 17 7.431 -4.074 -5.604 126 HB2 TRP 17 2HB TRP 17 6.467 -3.122 -8.298 127 HB3 TRP 17 1HB TRP 17 5.342 -3.457 -6.985 128 HD1 TRP 17 HD TRP 17 8.356 -1.131 -7.750 129 HE1 TRP 17 HE1 TRP 17 8.072 1.009 -6.343 130 HE3 TRP 17 HE3 TRP 17 4.201 -2.449 -5.078 131 HZ2 TRP 17 HZ2 TRP 17 6.325 2.011 -4.382 132 HZ3 TRP 17 HZ3 TRP 17 3.282 -0.842 -3.450 133 HH2 TRP 17 HH TRP 17 4.328 1.346 -3.112 134 H SER 18 H SER 18 7.212 -6.142 -5.014 135 HA SER 18 HA SER 18 5.854 -8.012 -6.855 136 HB2 SER 18 2HB SER 18 7.999 -8.855 -6.042 137 HB3 SER 18 1HB SER 18 7.508 -8.569 -4.373 138 HG SER 18 HG SER 18 7.191 -10.766 -5.696 139 H HIS 19 H HIS 19 4.594 -9.751 -5.341 140 HA HIS 19 HA HIS 19 2.331 -8.315 -4.386 141 HB2 HIS 19 2HB HIS 19 3.012 -11.251 -4.062 142 HB3 HIS 19 1HB HIS 19 1.427 -10.531 -3.784 143 HD1 HIS 19 HD1 HIS 19 3.559 -11.923 -6.427 144 HD2 HIS 19 HD2 HIS 19 0.194 -9.501 -6.199 145 HE1 HIS 19 HE1 HIS 19 2.583 -11.913 -8.733 146 HE2 HIS 19 HE2 HIS 19 0.707 -10.249 -8.618 147 H THR 20 H THR 20 5.061 -9.837 -2.757 148 HA THR 20 HA THR 20 4.065 -9.460 -0.094 149 HB THR 20 HB THR 20 6.934 -9.820 -1.022 150 HG1 THR 20 HG1 THR 20 4.997 -11.718 -0.117 151 HG21 THR 20 3HG2 THR 20 6.783 -8.920 1.262 152 HG22 THR 20 1HG2 THR 20 7.365 -10.585 1.267 153 HG23 THR 20 2HG2 THR 20 5.694 -10.233 1.708 154 H THR 21 H THR 21 6.019 -7.545 -2.310 155 HA THR 21 HA THR 21 6.998 -5.562 -0.609 156 HB THR 21 HB THR 21 6.079 -5.199 -3.478 157 HG1 THR 21 HG1 THR 21 8.773 -5.437 -3.003 158 HG21 THR 21 3HG2 THR 21 6.437 -3.058 -2.357 159 HG22 THR 21 1HG2 THR 21 7.707 -3.356 -3.540 160 HG23 THR 21 2HG2 THR 21 8.032 -3.591 -1.824 161 H VAL 22 H VAL 22 4.045 -5.410 -2.616 162 HA VAL 22 HA VAL 22 3.084 -2.950 -1.796 163 HB VAL 22 HB VAL 22 1.394 -5.361 -2.512 164 HG11 VAL 22 1HG1 VAL 22 0.779 -2.402 -2.647 165 HG12 VAL 22 2HG1 VAL 22 0.062 -3.573 -1.541 166 HG13 VAL 22 3HG1 VAL 22 -0.255 -3.689 -3.271 167 HG21 VAL 22 3HG2 VAL 22 2.627 -3.254 -4.300 168 HG22 VAL 22 1HG2 VAL 22 1.486 -4.494 -4.820 169 HG23 VAL 22 2HG2 VAL 22 3.079 -4.958 -4.223 170 H ARG 23 H ARG 23 2.558 -6.112 -0.262 171 HA ARG 23 HA ARG 23 0.601 -5.345 1.591 172 HB2 ARG 23 2HB ARG 23 1.352 -7.704 1.033 173 HB3 ARG 23 1HB ARG 23 2.726 -7.434 2.099 174 HG2 ARG 23 2HG ARG 23 1.129 -6.960 3.951 175 HG3 ARG 23 1HG ARG 23 -0.190 -7.399 2.866 176 HD2 ARG 23 2HD ARG 23 1.068 -9.622 2.558 177 HD3 ARG 23 1HD ARG 23 1.982 -9.148 3.990 178 HE ARG 23 HE ARG 23 -0.914 -9.672 3.892 179 HH11 ARG 23 1HH1 ARG 23 1.983 -9.257 5.735 180 HH12 ARG 23 2HH1 ARG 23 1.249 -9.848 7.185 181 HH21 ARG 23 1HH2 ARG 23 -1.810 -10.433 5.753 182 HH22 ARG 23 2HH2 ARG 23 -0.860 -10.500 7.199 183 H ASN 24 H ASN 24 4.148 -5.544 2.040 184 HA ASN 24 HA ASN 24 4.037 -4.522 4.717 185 HB2 ASN 24 2HB ASN 24 6.360 -4.961 2.833 186 HB3 ASN 24 1HB ASN 24 6.544 -4.413 4.498 187 HD21 ASN 24 1HD2 ASN 24 5.780 -7.087 2.439 188 HD22 ASN 24 2HD2 ASN 24 5.778 -8.295 3.673 189 H ALA 25 H ALA 25 3.705 -2.969 1.782 190 HA ALA 25 HA ALA 25 4.665 -0.397 2.798 191 HB1 ALA 25 3HB ALA 25 3.300 -1.073 0.185 192 HB2 ALA 25 1HB ALA 25 5.041 -0.923 0.431 193 HB3 ALA 25 2HB ALA 25 3.999 0.489 0.612 194 H LEU 26 H LEU 26 1.775 -2.261 2.540 195 HA LEU 26 HA LEU 26 -0.015 0.009 2.881 196 HB2 LEU 26 2HB LEU 26 -0.486 -1.946 1.359 197 HB3 LEU 26 1HB LEU 26 -0.684 -2.941 2.786 198 HG LEU 26 HG LEU 26 -2.399 -0.497 2.315 199 HD11 LEU 26 1HD1 LEU 26 -4.088 -1.961 1.337 200 HD12 LEU 26 2HD1 LEU 26 -2.967 -3.321 1.409 201 HD13 LEU 26 3HD1 LEU 26 -2.621 -1.946 0.359 202 HD21 LEU 26 3HD2 LEU 26 -3.982 -1.700 3.773 203 HD22 LEU 26 1HD2 LEU 26 -2.446 -1.400 4.583 204 HD23 LEU 26 2HD2 LEU 26 -2.810 -3.007 3.956 205 H LYS 27 H LYS 27 0.625 -3.043 4.692 206 HA LYS 27 HA LYS 27 -1.192 -2.424 6.743 207 HB2 LYS 27 2HB LYS 27 -0.009 -4.258 8.050 208 HB3 LYS 27 1HB LYS 27 -0.714 -4.697 6.507 209 HG2 LYS 27 2HG LYS 27 1.378 -5.803 6.675 210 HG3 LYS 27 1HG LYS 27 1.563 -4.515 5.491 211 HD2 LYS 27 2HD LYS 27 3.516 -4.655 6.948 212 HD3 LYS 27 1HD LYS 27 2.677 -3.120 7.167 213 HE2 LYS 27 2HE LYS 27 1.610 -4.001 9.201 214 HE3 LYS 27 1HE LYS 27 2.461 -5.532 8.980 215 HZ1 LYS 27 3HZ LYS 27 3.837 -2.921 9.304 216 HZ2 LYS 27 1HZ LYS 27 4.535 -4.458 9.329 217 HZ3 LYS 27 2HZ LYS 27 3.519 -3.971 10.588 218 H ASP 28 H ASP 28 2.018 -1.237 6.339 219 HA ASP 28 HA ASP 28 2.350 -0.550 9.127 220 HB2 ASP 28 2HB ASP 28 3.908 0.167 6.644 221 HB3 ASP 28 1HB ASP 28 4.289 0.847 8.226 222 H LEU 29 H LEU 29 1.140 1.073 6.237 223 HA LEU 29 HA LEU 29 0.780 3.606 7.572 224 HB2 LEU 29 2HB LEU 29 -0.110 2.480 4.929 225 HB3 LEU 29 1HB LEU 29 -0.793 3.982 5.520 226 HG LEU 29 HG LEU 29 1.032 4.408 3.956 227 HD11 LEU 29 1HD1 LEU 29 0.640 6.023 5.740 228 HD12 LEU 29 2HD1 LEU 29 2.352 5.941 5.325 229 HD13 LEU 29 3HD1 LEU 29 1.760 5.152 6.789 230 HD21 LEU 29 3HD2 LEU 29 2.811 2.977 5.935 231 HD22 LEU 29 1HD2 LEU 29 3.335 3.814 4.471 232 HD23 LEU 29 2HD2 LEU 29 2.337 2.367 4.350 233 H LEU 30 H LEU 30 -1.114 0.712 7.086 234 HA LEU 30 HA LEU 30 -3.650 1.612 7.884 235 HB2 LEU 30 2HB LEU 30 -3.125 -0.606 6.882 236 HB3 LEU 30 1HB LEU 30 -2.381 -1.089 8.395 237 HG LEU 30 HG LEU 30 -4.605 -0.809 9.513 238 HD11 LEU 30 1HD1 LEU 30 -5.623 0.765 7.967 239 HD12 LEU 30 2HD1 LEU 30 -6.613 -0.687 8.110 240 HD13 LEU 30 3HD1 LEU 30 -5.600 -0.448 6.687 241 HD21 LEU 30 3HD2 LEU 30 -4.546 -2.754 7.200 242 HD22 LEU 30 1HD2 LEU 30 -5.575 -2.872 8.629 243 HD23 LEU 30 2HD2 LEU 30 -3.825 -3.013 8.789 244 H LYS 31 H LYS 31 -0.769 1.208 9.714 245 HA LYS 31 HA LYS 31 -1.818 0.781 12.300 246 HB2 LYS 31 2HB LYS 31 0.547 0.447 11.675 247 HB3 LYS 31 1HB LYS 31 0.740 2.177 11.456 248 HG2 LYS 31 2HG LYS 31 -0.154 1.143 14.117 249 HG3 LYS 31 1HG LYS 31 1.538 0.978 13.658 250 HD2 LYS 31 2HD LYS 31 0.012 3.593 13.692 251 HD3 LYS 31 1HD LYS 31 1.063 3.027 14.990 252 HE2 LYS 31 2HE LYS 31 2.967 3.031 13.464 253 HE3 LYS 31 1HE LYS 31 1.922 3.553 12.142 254 HZ1 LYS 31 3HZ LYS 31 1.471 5.595 13.375 255 HZ2 LYS 31 1HZ LYS 31 3.123 5.415 13.067 256 HZ3 LYS 31 2HZ LYS 31 2.512 5.101 14.611 257 H ASP 32 H ASP 32 -1.395 3.707 10.391 258 HA ASP 32 HA ASP 32 -2.046 5.432 12.660 259 HB2 ASP 32 2HB ASP 32 -1.242 6.068 9.814 260 HB3 ASP 32 1HB ASP 32 -1.582 7.285 11.044 261 H MET 33 H MET 33 -3.575 4.126 9.825 262 HA MET 33 HA MET 33 -6.064 5.507 10.552 263 HB2 MET 33 2HB MET 33 -6.568 5.938 8.162 264 HB3 MET 33 1HB MET 33 -5.163 6.830 8.729 265 HG2 MET 33 2HG MET 33 -3.733 5.030 7.709 266 HG3 MET 33 1HG MET 33 -5.202 4.379 6.984 267 HE1 MET 33 3HE MET 33 -6.733 7.267 6.462 268 HE2 MET 33 1HE MET 33 -6.791 5.883 5.368 269 HE3 MET 33 2HE MET 33 -6.323 7.469 4.759 270 H ASN 34 H ASN 34 -7.791 4.181 10.593 271 HA ASN 34 HA ASN 34 -7.281 1.372 10.263 272 HB2 ASN 34 2HB ASN 34 -9.832 2.747 11.131 273 HB3 ASN 34 1HB ASN 34 -9.447 1.036 11.324 274 HD21 ASN 34 1HD2 ASN 34 -7.705 0.474 12.741 275 HD22 ASN 34 2HD2 ASN 34 -7.299 1.512 14.058 276 H GLN 35 H GLN 35 -9.250 0.014 9.467 277 HA GLN 35 HA GLN 35 -9.143 0.191 6.656 278 HB2 GLN 35 2HB GLN 35 -10.997 -1.498 8.344 279 HB3 GLN 35 1HB GLN 35 -10.565 -1.787 6.664 280 HG2 GLN 35 2HG GLN 35 -8.266 -2.232 7.300 281 HG3 GLN 35 1HG GLN 35 -8.634 -1.846 8.981 282 HE21 GLN 35 1HE2 GLN 35 -9.003 -4.185 6.440 283 HE22 GLN 35 2HE2 GLN 35 -9.579 -5.467 7.440 284 H SER 36 H SER 36 -11.843 0.800 8.912 285 HA SER 36 HA SER 36 -13.942 0.902 7.143 286 HB2 SER 36 2HB SER 36 -13.547 2.601 9.616 287 HB3 SER 36 1HB SER 36 -15.084 2.398 8.774 288 HG SER 36 HG SER 36 -14.992 0.177 9.246 289 H SER 37 H SER 37 -11.903 3.707 8.044 290 HA SER 37 HA SER 37 -13.259 5.474 6.221 291 HB2 SER 37 2HB SER 37 -12.200 6.387 8.217 292 HB3 SER 37 1HB SER 37 -10.621 5.812 7.680 293 HG SER 37 HG SER 37 -10.733 7.930 7.083 294 H LEU 38 H LEU 38 -9.988 4.016 6.192 295 HA LEU 38 HA LEU 38 -9.095 5.105 3.792 296 HB2 LEU 38 2HB LEU 38 -7.621 3.951 5.346 297 HB3 LEU 38 1HB LEU 38 -8.427 2.427 5.026 298 HG LEU 38 HG LEU 38 -7.601 2.481 2.699 299 HD11 LEU 38 1HD1 LEU 38 -7.453 4.875 2.363 300 HD12 LEU 38 2HD1 LEU 38 -5.892 4.119 2.044 301 HD13 LEU 38 3HD1 LEU 38 -6.158 4.988 3.556 302 HD21 LEU 38 3HD2 LEU 38 -5.437 2.794 4.785 303 HD22 LEU 38 1HD2 LEU 38 -5.238 2.047 3.198 304 HD23 LEU 38 2HD2 LEU 38 -6.303 1.307 4.393 305 H ALA 39 H ALA 39 -10.976 2.145 4.306 306 HA ALA 39 HA ALA 39 -10.794 1.154 1.656 307 HB1 ALA 39 3HB ALA 39 -12.590 -0.366 2.308 308 HB2 ALA 39 1HB ALA 39 -12.870 0.584 3.768 309 HB3 ALA 39 2HB ALA 39 -11.342 -0.269 3.551 310 H LYS 40 H LYS 40 -12.448 3.852 2.763 311 HA LYS 40 HA LYS 40 -14.579 3.729 0.773 312 HB2 LYS 40 2HB LYS 40 -13.715 5.919 2.678 313 HB3 LYS 40 1HB LYS 40 -15.072 6.055 1.570 314 HG2 LYS 40 2HG LYS 40 -16.223 4.252 2.713 315 HG3 LYS 40 1HG LYS 40 -14.839 4.023 3.783 316 HD2 LYS 40 2HD LYS 40 -16.586 5.300 4.905 317 HD3 LYS 40 1HD LYS 40 -15.148 6.290 4.675 318 HE2 LYS 40 2HE LYS 40 -17.491 6.369 2.777 319 HE3 LYS 40 1HE LYS 40 -17.401 7.396 4.206 320 HZ1 LYS 40 3HZ LYS 40 -16.603 8.602 2.325 321 HZ2 LYS 40 1HZ LYS 40 -15.513 7.384 1.906 322 HZ3 LYS 40 2HZ LYS 40 -15.282 8.279 3.320 323 H GLU 41 H GLU 41 -11.599 5.551 1.380 324 HA GLU 41 HA GLU 41 -11.856 7.054 -1.099 325 HB2 GLU 41 2HB GLU 41 -9.493 7.111 0.781 326 HB3 GLU 41 1HB GLU 41 -10.066 8.382 -0.292 327 HG2 GLU 41 2HG GLU 41 -11.407 7.420 2.232 328 HG3 GLU 41 1HG GLU 41 -10.533 8.932 2.020 329 H CYS 42 H CYS 42 -10.292 4.212 0.024 330 HA CYS 42 HA CYS 42 -8.226 4.197 -2.028 331 HB2 CYS 42 2HB CYS 42 -7.576 3.396 0.153 332 HB3 CYS 42 1HB CYS 42 -8.902 2.240 0.177 333 HG CYS 42 HG CYS 42 -6.774 0.639 -0.211 334 HA PRO 43 HA PRO 43 -10.494 1.869 -5.113 335 HB2 PRO 43 2HB PRO 43 -7.827 0.562 -5.492 336 HB3 PRO 43 1HB PRO 43 -8.912 1.273 -6.694 337 HG2 PRO 43 2HG PRO 43 -6.729 2.584 -5.921 338 HG3 PRO 43 1HG PRO 43 -8.256 3.453 -6.184 339 HD2 PRO 43 2HD PRO 43 -6.945 2.654 -3.613 340 HD3 PRO 43 1HD PRO 43 -7.846 4.133 -4.006 341 H LEU 44 H LEU 44 -8.512 0.341 -2.644 342 HA LEU 44 HA LEU 44 -9.706 -2.284 -3.093 343 HB2 LEU 44 2HB LEU 44 -7.727 -1.367 -1.000 344 HB3 LEU 44 1HB LEU 44 -8.244 -3.025 -1.251 345 HG LEU 44 HG LEU 44 -6.630 -1.330 -3.164 346 HD11 LEU 44 1HD1 LEU 44 -5.361 -2.188 -1.256 347 HD12 LEU 44 2HD1 LEU 44 -4.865 -2.962 -2.760 348 HD13 LEU 44 3HD1 LEU 44 -5.905 -3.826 -1.626 349 HD21 LEU 44 3HD2 LEU 44 -8.170 -2.745 -4.417 350 HD22 LEU 44 1HD2 LEU 44 -7.632 -4.160 -3.510 351 HD23 LEU 44 2HD2 LEU 44 -6.513 -3.323 -4.586 352 H SER 45 H SER 45 -11.621 -2.764 -2.244 353 HA SER 45 HA SER 45 -12.935 -1.283 -0.241 354 HB2 SER 45 2HB SER 45 -14.232 -2.602 -1.787 355 HB3 SER 45 1HB SER 45 -13.449 -4.089 -1.252 356 HG SER 45 HG SER 45 -15.633 -3.471 -0.355 357 H GLN 46 H GLN 46 -13.796 -2.240 1.816 358 HA GLN 46 HA GLN 46 -11.683 -2.657 3.607 359 HB2 GLN 46 2HB GLN 46 -13.923 -1.712 4.178 360 HB3 GLN 46 1HB GLN 46 -14.599 -3.331 4.060 361 HG2 GLN 46 2HG GLN 46 -13.175 -4.072 5.901 362 HG3 GLN 46 1HG GLN 46 -12.463 -2.463 6.006 363 HE21 GLN 46 1HE2 GLN 46 -15.278 -4.390 6.632 364 HE22 GLN 46 2HE2 GLN 46 -16.086 -3.243 7.637 365 H SER 47 H SER 47 -13.921 -4.979 2.132 366 HA SER 47 HA SER 47 -13.129 -7.277 3.532 367 HB2 SER 47 2HB SER 47 -14.137 -7.045 0.680 368 HB3 SER 47 1HB SER 47 -14.023 -8.553 1.588 369 HG SER 47 HG SER 47 -16.129 -7.345 1.560 370 H MET 48 H MET 48 -11.817 -5.877 0.538 371 HA MET 48 HA MET 48 -9.916 -7.890 -0.002 372 HB2 MET 48 2HB MET 48 -9.882 -4.946 -0.712 373 HB3 MET 48 1HB MET 48 -8.783 -6.143 -1.384 374 HG2 MET 48 2HG MET 48 -11.782 -6.164 -1.679 375 HG3 MET 48 1HG MET 48 -10.635 -5.615 -2.898 376 HE1 MET 48 3HE MET 48 -11.807 -7.290 -4.655 377 HE2 MET 48 1HE MET 48 -12.914 -7.839 -3.394 378 HE3 MET 48 2HE MET 48 -12.014 -9.014 -4.353 379 H ILE 49 H ILE 49 -9.424 -4.687 1.513 380 HA ILE 49 HA ILE 49 -6.778 -5.007 2.318 381 HB ILE 49 HB ILE 49 -8.954 -3.489 3.787 382 HG12 ILE 49 2HG1 ILE 49 -7.014 -2.562 1.644 383 HG13 ILE 49 1HG1 ILE 49 -8.745 -2.803 1.425 384 HG21 ILE 49 1HG2 ILE 49 -6.980 -3.821 5.183 385 HG22 ILE 49 2HG2 ILE 49 -7.127 -2.131 4.706 386 HG23 ILE 49 3HG2 ILE 49 -5.949 -3.172 3.906 387 HD11 ILE 49 3HD1 ILE 49 -7.445 -0.762 3.218 388 HD12 ILE 49 1HD1 ILE 49 -9.185 -1.011 3.040 389 HD13 ILE 49 2HD1 ILE 49 -8.225 -0.460 1.666 390 H SER 50 H SER 50 -9.745 -6.053 3.899 391 HA SER 50 HA SER 50 -8.736 -6.795 6.402 392 HB2 SER 50 2HB SER 50 -11.138 -6.619 5.912 393 HB3 SER 50 1HB SER 50 -11.035 -8.030 4.860 394 HG SER 50 HG SER 50 -11.686 -8.863 6.743 395 H SER 51 H SER 51 -9.428 -8.979 3.636 396 HA SER 51 HA SER 51 -8.337 -11.281 4.820 397 HB2 SER 51 2HB SER 51 -8.697 -10.623 1.884 398 HB3 SER 51 1HB SER 51 -8.307 -12.226 2.510 399 HG SER 51 HG SER 51 -10.307 -12.480 3.110 400 H ILE 52 H ILE 52 -6.783 -8.805 2.824 401 HA ILE 52 HA ILE 52 -4.351 -10.129 2.336 402 HB ILE 52 HB ILE 52 -4.881 -7.160 2.621 403 HG12 ILE 52 2HG1 ILE 52 -4.642 -8.924 0.161 404 HG13 ILE 52 1HG1 ILE 52 -6.148 -8.293 0.820 405 HG21 ILE 52 1HG2 ILE 52 -2.459 -8.569 1.484 406 HG22 ILE 52 2HG2 ILE 52 -2.509 -7.585 2.946 407 HG23 ILE 52 3HG2 ILE 52 -2.771 -6.837 1.371 408 HD11 ILE 52 3HD1 ILE 52 -3.889 -6.652 -0.308 409 HD12 ILE 52 1HD1 ILE 52 -5.399 -6.018 0.348 410 HD13 ILE 52 2HD1 ILE 52 -5.419 -7.016 -1.106 411 H VAL 53 H VAL 53 -5.296 -8.015 5.048 412 HA VAL 53 HA VAL 53 -2.760 -8.301 6.394 413 HB VAL 53 HB VAL 53 -5.395 -7.251 7.464 414 HG11 VAL 53 1HG1 VAL 53 -2.588 -6.930 8.543 415 HG12 VAL 53 2HG1 VAL 53 -3.872 -7.905 9.259 416 HG13 VAL 53 3HG1 VAL 53 -4.034 -6.151 9.185 417 HG21 VAL 53 3HG2 VAL 53 -4.630 -5.967 5.534 418 HG22 VAL 53 1HG2 VAL 53 -3.044 -5.762 6.280 419 HG23 VAL 53 2HG2 VAL 53 -4.467 -5.020 7.011 420 H ASN 54 H ASN 54 -5.932 -9.805 6.619 421 HA ASN 54 HA ASN 54 -5.599 -11.178 9.057 422 HB2 ASN 54 2HB ASN 54 -7.788 -10.846 8.006 423 HB3 ASN 54 1HB ASN 54 -7.317 -11.870 6.656 424 HD21 ASN 54 1HD2 ASN 54 -6.570 -12.526 10.029 425 HD22 ASN 54 2HD2 ASN 54 -7.574 -13.923 10.155 426 H SER 55 H SER 55 -5.265 -12.411 5.705 427 HA SER 55 HA SER 55 -4.021 -14.856 6.723 428 HB2 SER 55 2HB SER 55 -5.722 -15.092 4.970 429 HB3 SER 55 1HB SER 55 -4.763 -14.084 3.885 430 HG SER 55 HG SER 55 -4.472 -16.352 3.532 431 H THR 56 H THR 56 -1.919 -14.614 7.239 432 HA THR 56 HA THR 56 -0.067 -12.948 5.859 433 HB THR 56 HB THR 56 1.682 -14.113 7.119 434 HG1 THR 56 HG1 THR 56 1.381 -16.121 7.703 435 HG21 THR 56 3HG2 THR 56 0.850 -13.728 9.407 436 HG22 THR 56 1HG2 THR 56 -0.797 -13.633 8.784 437 HG23 THR 56 2HG2 THR 56 0.394 -12.417 8.319 438 H TYR 57 H TYR 57 -1.204 -16.180 5.384 439 HA TYR 57 HA TYR 57 0.854 -16.793 3.385 440 HB2 TYR 57 2HB TYR 57 -0.194 -19.088 3.431 441 HB3 TYR 57 1HB TYR 57 0.492 -18.565 4.964 442 HD1 TYR 57 HD2 TYR 57 -0.996 -17.916 6.841 443 HD2 TYR 57 HD1 TYR 57 -2.571 -19.489 3.205 444 HE1 TYR 57 HE2 TYR 57 -3.137 -18.360 7.964 445 HE2 TYR 57 HE1 TYR 57 -4.716 -19.930 4.323 446 HH TYR 57 HH TYR 57 -5.557 -18.598 7.274 447 H TYR 58 H TYR 58 -1.267 -14.804 2.910 448 HA TYR 58 HA TYR 58 -3.359 -15.682 1.316 449 HB2 TYR 58 2HB TYR 58 -3.425 -13.430 0.392 450 HB3 TYR 58 1HB TYR 58 -3.071 -13.352 2.115 451 HD1 TYR 58 HD2 TYR 58 -0.606 -13.058 2.806 452 HD2 TYR 58 HD1 TYR 58 -1.998 -12.377 -1.164 453 HE1 TYR 58 HE2 TYR 58 1.400 -11.720 2.333 454 HE2 TYR 58 HE1 TYR 58 0.009 -11.039 -1.644 455 HH TYR 58 HH TYR 58 1.705 -9.775 -0.470 456 H ALA 59 H ALA 59 -3.655 -15.981 -0.906 457 HA ALA 59 HA ALA 59 -1.316 -16.867 -2.390 458 HB1 ALA 59 3HB ALA 59 -2.919 -17.667 -4.049 459 HB2 ALA 59 1HB ALA 59 -4.231 -16.850 -3.198 460 HB3 ALA 59 2HB ALA 59 -3.384 -18.196 -2.433 461 H ASN 60 H ASN 60 -0.734 -16.056 -4.494 462 HA ASN 60 HA ASN 60 -0.743 -13.224 -4.637 463 HB2 ASN 60 2HB ASN 60 0.067 -15.266 -6.724 464 HB3 ASN 60 1HB ASN 60 0.404 -13.537 -6.822 465 HD21 ASN 60 1HD2 ASN 60 2.270 -15.755 -6.725 466 HD22 ASN 60 2HD2 ASN 60 3.268 -15.485 -5.343 467 H VAL 61 H VAL 61 -2.639 -12.230 -4.901 468 HA VAL 61 HA VAL 61 -4.792 -13.106 -6.503 469 HB VAL 61 HB VAL 61 -5.001 -11.552 -4.578 470 HG11 VAL 61 1HG1 VAL 61 -4.504 -9.166 -4.862 471 HG12 VAL 61 2HG1 VAL 61 -3.801 -9.501 -6.445 472 HG13 VAL 61 3HG1 VAL 61 -3.048 -10.153 -4.990 473 HG21 VAL 61 3HG2 VAL 61 -6.106 -10.441 -7.163 474 HG22 VAL 61 1HG2 VAL 61 -6.720 -10.107 -5.541 475 HG23 VAL 61 2HG2 VAL 61 -6.821 -11.738 -6.203 476 H SER 62 H SER 62 -5.680 -12.068 -8.440 477 HA SER 62 HA SER 62 -3.979 -11.879 -10.607 478 HB2 SER 62 2HB SER 62 -6.631 -10.433 -10.341 479 HB3 SER 62 1HB SER 62 -5.833 -10.890 -11.845 480 HG SER 62 HG SER 62 -6.416 -12.930 -11.566 481 H ALA 63 H ALA 63 -2.771 -10.333 -11.570 482 HA ALA 63 HA ALA 63 -1.815 -8.197 -10.025 483 HB1 ALA 63 3HB ALA 63 -0.512 -9.360 -11.761 484 HB2 ALA 63 1HB ALA 63 -0.475 -7.605 -11.946 485 HB3 ALA 63 2HB ALA 63 -1.499 -8.582 -12.999 486 H ALA 64 H ALA 64 -4.206 -8.218 -12.637 487 HA ALA 64 HA ALA 64 -4.298 -5.584 -13.383 488 HB1 ALA 64 3HB ALA 64 -5.633 -7.362 -14.411 489 HB2 ALA 64 1HB ALA 64 -6.606 -5.941 -14.035 490 HB3 ALA 64 2HB ALA 64 -6.698 -7.371 -13.005 491 H LYS 65 H LYS 65 -6.228 -6.976 -10.702 492 HA LYS 65 HA LYS 65 -7.385 -4.501 -9.947 493 HB2 LYS 65 2HB LYS 65 -8.407 -6.674 -9.412 494 HB3 LYS 65 1HB LYS 65 -7.072 -7.046 -8.331 495 HG2 LYS 65 2HG LYS 65 -8.395 -4.510 -7.697 496 HG3 LYS 65 1HG LYS 65 -9.478 -5.899 -7.610 497 HD2 LYS 65 2HD LYS 65 -6.790 -6.061 -6.291 498 HD3 LYS 65 1HD LYS 65 -8.070 -5.133 -5.513 499 HE2 LYS 65 2HE LYS 65 -7.945 -7.461 -4.702 500 HE3 LYS 65 1HE LYS 65 -9.501 -7.075 -5.432 501 HZ1 LYS 65 3HZ LYS 65 -7.304 -8.526 -6.805 502 HZ2 LYS 65 1HZ LYS 65 -8.851 -8.234 -7.419 503 HZ3 LYS 65 2HZ LYS 65 -8.649 -9.259 -6.093 504 H CYS 66 H CYS 66 -4.325 -5.953 -9.220 505 HA CYS 66 HA CYS 66 -3.765 -4.252 -6.943 506 HB2 CYS 66 2HB CYS 66 -2.716 -6.453 -7.065 507 HB3 CYS 66 1HB CYS 66 -1.938 -6.025 -8.586 508 HG CYS 66 HG CYS 66 -0.868 -3.700 -6.797 509 H GLN 67 H GLN 67 -3.145 -4.223 -10.402 510 HA GLN 67 HA GLN 67 -1.196 -2.204 -10.522 511 HB2 GLN 67 2HB GLN 67 -3.354 -2.888 -12.535 512 HB3 GLN 67 1HB GLN 67 -1.956 -1.873 -12.865 513 HG2 GLN 67 2HG GLN 67 -0.474 -3.772 -12.439 514 HG3 GLN 67 1HG GLN 67 -1.873 -4.790 -12.098 515 HE21 GLN 67 1HE2 GLN 67 0.178 -5.078 -14.156 516 HE22 GLN 67 2HE2 GLN 67 -0.664 -5.106 -15.663 517 H GLU 68 H GLU 68 -4.744 -1.945 -10.867 518 HA GLU 68 HA GLU 68 -4.714 0.890 -11.056 519 HB2 GLU 68 2HB GLU 68 -6.976 -1.023 -10.475 520 HB3 GLU 68 1HB GLU 68 -7.192 0.704 -10.730 521 HG2 GLU 68 2HG GLU 68 -6.163 -1.324 -12.708 522 HG3 GLU 68 1HG GLU 68 -7.680 -0.430 -12.778 523 H PHE 69 H PHE 69 -4.461 -1.176 -8.325 524 HA PHE 69 HA PHE 69 -5.219 0.832 -6.407 525 HB2 PHE 69 2HB PHE 69 -5.199 -1.461 -5.650 526 HB3 PHE 69 1HB PHE 69 -3.521 -1.667 -6.144 527 HD1 PHE 69 HD2 PHE 69 -5.504 0.670 -3.984 528 HD2 PHE 69 HD1 PHE 69 -1.975 -1.678 -4.438 529 HE1 PHE 69 HE2 PHE 69 -4.760 1.350 -1.740 530 HE2 PHE 69 HE1 PHE 69 -1.231 -0.997 -2.196 531 HZ PHE 69 HZ PHE 69 -2.624 0.516 -0.843 532 H GLY 70 H GLY 70 -2.115 -0.356 -7.709 533 HA2 GLY 70 2HA GLY 70 -0.434 1.557 -6.511 534 HA3 GLY 70 1HA GLY 70 -0.092 0.696 -8.004 535 H ARG 71 H ARG 71 -2.532 1.784 -9.291 536 HA ARG 71 HA ARG 71 -1.660 4.038 -10.612 537 HB2 ARG 71 2HB ARG 71 -3.641 2.674 -11.235 538 HB3 ARG 71 1HB ARG 71 -4.524 3.360 -9.882 539 HG2 ARG 71 2HG ARG 71 -5.284 4.569 -11.716 540 HG3 ARG 71 1HG ARG 71 -4.084 5.634 -10.983 541 HD2 ARG 71 2HD ARG 71 -3.836 5.586 -13.406 542 HD3 ARG 71 1HD ARG 71 -2.420 4.887 -12.618 543 HE ARG 71 HE ARG 71 -4.297 2.867 -13.273 544 HH11 ARG 71 1HH1 ARG 71 -1.982 4.962 -14.740 545 HH12 ARG 71 2HH1 ARG 71 -1.657 3.861 -16.029 546 HH21 ARG 71 1HH2 ARG 71 -3.859 1.477 -14.905 547 HH22 ARG 71 2HH2 ARG 71 -2.714 1.908 -16.133 548 H TRP 72 H TRP 72 -4.272 4.228 -8.195 549 HA TRP 72 HA TRP 72 -3.987 6.965 -7.649 550 HB2 TRP 72 2HB TRP 72 -6.037 5.793 -7.118 551 HB3 TRP 72 1HB TRP 72 -5.197 4.741 -5.985 552 HD1 TRP 72 HD TRP 72 -6.232 8.456 -6.345 553 HE1 TRP 72 HE1 TRP 72 -6.493 9.447 -3.982 554 HE3 TRP 72 HE3 TRP 72 -4.633 4.451 -3.602 555 HZ2 TRP 72 HZ2 TRP 72 -6.081 8.638 -1.313 556 HZ3 TRP 72 HZ3 TRP 72 -4.599 4.637 -1.150 557 HH2 TRP 72 HH TRP 72 -5.308 6.689 -0.029 558 H TYR 73 H TYR 73 -2.554 4.134 -6.090 559 HA TYR 73 HA TYR 73 -1.576 5.344 -3.777 560 HB2 TYR 73 2HB TYR 73 -1.691 2.869 -4.316 561 HB3 TYR 73 1HB TYR 73 -0.206 3.080 -5.236 562 HD1 TYR 73 HD2 TYR 73 -1.651 3.510 -1.831 563 HD2 TYR 73 HD1 TYR 73 1.884 2.960 -4.140 564 HE1 TYR 73 HE2 TYR 73 -0.359 3.196 0.233 565 HE2 TYR 73 HE1 TYR 73 3.187 2.647 -2.074 566 HH TYR 73 HH TYR 73 3.017 3.247 0.325 567 H LYS 74 H LYS 74 -0.023 5.079 -6.991 568 HA LYS 74 HA LYS 74 2.440 6.256 -6.205 569 HB2 LYS 74 2HB LYS 74 2.182 4.986 -8.319 570 HB3 LYS 74 1HB LYS 74 1.171 6.277 -8.961 571 HG2 LYS 74 2HG LYS 74 3.016 7.826 -8.913 572 HG3 LYS 74 1HG LYS 74 4.033 6.652 -8.083 573 HD2 LYS 74 2HD LYS 74 4.665 6.723 -10.405 574 HD3 LYS 74 1HD LYS 74 3.885 5.175 -10.078 575 HE2 LYS 74 2HE LYS 74 1.833 5.947 -11.099 576 HE3 LYS 74 1HE LYS 74 2.501 7.566 -11.304 577 HZ1 LYS 74 3HZ LYS 74 2.561 6.241 -13.357 578 HZ2 LYS 74 1HZ LYS 74 3.575 5.116 -12.603 579 HZ3 LYS 74 2HZ LYS 74 4.105 6.701 -12.855 580 H HIS 75 H HIS 75 -0.509 7.665 -7.629 581 HA HIS 75 HA HIS 75 0.367 10.346 -7.690 582 HB2 HIS 75 2HB HIS 75 -2.399 9.145 -7.457 583 HB3 HIS 75 1HB HIS 75 -2.133 10.881 -7.560 584 HD1 HIS 75 HD1 HIS 75 -1.286 11.818 -9.834 585 HD2 HIS 75 HD2 HIS 75 -2.101 7.747 -9.853 586 HE1 HIS 75 HE1 HIS 75 -1.332 11.154 -12.251 587 HE2 HIS 75 HE2 HIS 75 -1.678 8.664 -12.230 588 H PHE 76 H PHE 76 -1.102 8.425 -5.131 589 HA PHE 76 HA PHE 76 -1.474 10.417 -3.190 590 HB2 PHE 76 2HB PHE 76 -2.493 8.250 -2.932 591 HB3 PHE 76 1HB PHE 76 -0.929 7.447 -2.947 592 HD1 PHE 76 HD2 PHE 76 -2.980 9.862 -0.981 593 HD2 PHE 76 HD1 PHE 76 0.168 6.987 -0.950 594 HE1 PHE 76 HE2 PHE 76 -2.905 9.974 1.478 595 HE2 PHE 76 HE1 PHE 76 0.242 7.089 1.506 596 HZ PHE 76 HZ PHE 76 -1.295 8.584 2.723 597 H LYS 77 H LYS 77 1.365 8.402 -3.938 598 HA LYS 77 HA LYS 77 2.943 9.488 -1.799 599 HB2 LYS 77 2HB LYS 77 3.839 7.974 -4.266 600 HB3 LYS 77 1HB LYS 77 4.836 8.316 -2.857 601 HG2 LYS 77 2HG LYS 77 3.111 7.029 -1.503 602 HG3 LYS 77 1HG LYS 77 2.449 6.494 -3.045 603 HD2 LYS 77 2HD LYS 77 5.277 6.031 -2.077 604 HD3 LYS 77 1HD LYS 77 3.980 4.840 -2.071 605 HE2 LYS 77 2HE LYS 77 5.172 4.281 -3.983 606 HE3 LYS 77 1HE LYS 77 3.876 5.284 -4.627 607 HZ1 LYS 77 3HZ LYS 77 6.556 6.353 -3.954 608 HZ2 LYS 77 1HZ LYS 77 5.346 7.101 -4.863 609 HZ3 LYS 77 2HZ LYS 77 6.169 5.761 -5.484 610 H LYS 78 H LYS 78 2.130 10.589 -4.943 611 HA LYS 78 HA LYS 78 4.379 12.437 -5.118 612 HB2 LYS 78 2HB LYS 78 1.950 12.086 -6.896 613 HB3 LYS 78 1HB LYS 78 3.255 13.225 -7.205 614 HG2 LYS 78 2HG LYS 78 4.839 11.360 -7.375 615 HG3 LYS 78 1HG LYS 78 3.524 10.223 -7.072 616 HD2 LYS 78 2HD LYS 78 3.999 10.360 -9.458 617 HD3 LYS 78 1HD LYS 78 2.392 11.001 -9.114 618 HE2 LYS 78 2HE LYS 78 3.266 13.283 -9.232 619 HE3 LYS 78 1HE LYS 78 4.888 12.655 -9.530 620 HZ1 LYS 78 3HZ LYS 78 2.550 12.190 -11.299 621 HZ2 LYS 78 1HZ LYS 78 4.147 11.726 -11.596 622 HZ3 LYS 78 2HZ LYS 78 3.740 13.364 -11.566 623 H THR 79 H THR 79 0.885 13.095 -5.524 624 HA THR 79 HA THR 79 0.444 14.755 -3.365 625 HB THR 79 HB THR 79 2.212 16.242 -4.123 626 HG1 THR 79 HG1 THR 79 0.602 17.406 -3.190 627 HG21 THR 79 3HG2 THR 79 0.638 16.524 -6.693 628 HG22 THR 79 1HG2 THR 79 2.195 15.711 -6.520 629 HG23 THR 79 2HG2 THR 79 2.073 17.451 -6.255 630 H LYS 80 H LYS 80 -0.145 14.525 -6.876 631 HA LYS 80 HA LYS 80 -2.945 15.342 -6.397 632 HB2 LYS 80 2HB LYS 80 -1.660 17.041 -7.608 633 HB3 LYS 80 1HB LYS 80 -1.210 15.852 -8.823 634 HG2 LYS 80 2HG LYS 80 -3.549 15.646 -9.505 635 HG3 LYS 80 1HG LYS 80 -4.017 16.815 -8.264 636 HD2 LYS 80 2HD LYS 80 -2.619 18.520 -9.351 637 HD3 LYS 80 1HD LYS 80 -2.162 17.353 -10.593 638 HE2 LYS 80 2HE LYS 80 -4.456 17.210 -11.356 639 HE3 LYS 80 1HE LYS 80 -4.989 18.270 -10.049 640 HZ1 LYS 80 3HZ LYS 80 -4.770 19.484 -12.116 641 HZ2 LYS 80 1HZ LYS 80 -3.150 19.025 -12.257 642 HZ3 LYS 80 2HZ LYS 80 -3.636 20.042 -10.996 643 H ASP 81 H ASP 81 -4.495 13.943 -6.972 644 HA ASP 81 HA ASP 81 -3.847 11.787 -8.890 645 HB2 ASP 81 2HB ASP 81 -5.534 10.415 -7.792 646 HB3 ASP 81 1HB ASP 81 -4.370 10.990 -6.603 647 H MET 82 H MET 82 -5.783 14.547 -8.353 648 HA MET 82 HA MET 82 -8.117 13.895 -9.788 649 HB2 MET 82 2HB MET 82 -7.916 15.822 -8.266 650 HB3 MET 82 1HB MET 82 -6.814 16.598 -9.393 651 HG2 MET 82 2HG MET 82 -8.600 16.735 -11.054 652 HG3 MET 82 1HG MET 82 -9.704 15.929 -9.939 653 HE1 MET 82 3HE MET 82 -11.073 19.606 -9.953 654 HE2 MET 82 1HE MET 82 -11.489 17.901 -10.139 655 HE3 MET 82 2HE MET 82 -10.431 18.685 -11.313 656 H MET 83 H MET 83 -8.309 13.390 -11.866 657 HA MET 83 HA MET 83 -6.235 14.161 -13.778 658 HB2 MET 83 2HB MET 83 -6.951 11.808 -13.650 659 HB3 MET 83 1HB MET 83 -8.584 12.277 -14.094 660 HG2 MET 83 2HG MET 83 -7.809 13.013 -16.272 661 HG3 MET 83 1HG MET 83 -6.145 12.636 -15.826 662 HE1 MET 83 3HE MET 83 -9.419 10.552 -15.004 663 HE2 MET 83 1HE MET 83 -9.459 9.461 -16.389 664 HE3 MET 83 2HE MET 83 -9.703 11.193 -16.622 Start of MODEL 6 1 H1 MET 1 1H MET 1 23.654 -3.733 18.025 2 H2 MET 1 2H MET 1 24.009 -5.324 18.455 3 H3 MET 1 3H MET 1 22.573 -4.969 17.636 4 HA MET 1 HA MET 1 25.324 -4.690 16.565 5 HB2 MET 1 2HB MET 1 23.090 -6.616 15.872 6 HB3 MET 1 1HB MET 1 24.599 -6.472 14.981 7 HG2 MET 1 2HG MET 1 25.843 -7.175 16.955 8 HG3 MET 1 1HG MET 1 24.338 -7.289 17.868 9 HE1 MET 1 3HE MET 1 26.386 -8.731 14.824 10 HE2 MET 1 1HE MET 1 24.845 -8.279 14.094 11 HE3 MET 1 2HE MET 1 25.290 -9.980 14.237 12 H GLY 2 H GLY 2 21.924 -4.870 15.417 13 HA2 GLY 2 2HA GLY 2 20.733 -3.217 14.268 14 HA3 GLY 2 1HA GLY 2 22.192 -2.247 14.175 15 H HIS 3 H HIS 3 23.090 -2.053 12.226 16 HA HIS 3 HA HIS 3 23.705 -2.396 10.082 17 HB2 HIS 3 2HB HIS 3 22.884 -5.248 10.633 18 HB3 HIS 3 1HB HIS 3 23.536 -4.723 9.085 19 HD1 HIS 3 HD1 HIS 3 26.038 -3.926 9.067 20 HD2 HIS 3 HD2 HIS 3 24.771 -5.630 12.639 21 HE1 HIS 3 HE1 HIS 3 28.135 -4.460 10.335 22 HE2 HIS 3 HE2 HIS 3 27.346 -5.704 12.370 23 H HIS 4 H HIS 4 20.555 -3.995 10.707 24 HA HIS 4 HA HIS 4 19.528 -3.606 8.115 25 HB2 HIS 4 2HB HIS 4 17.324 -4.102 9.076 26 HB3 HIS 4 1HB HIS 4 18.545 -5.229 9.650 27 HD1 HIS 4 HD1 HIS 4 15.994 -2.868 10.819 28 HD2 HIS 4 HD2 HIS 4 19.345 -4.746 12.403 29 HE1 HIS 4 HE1 HIS 4 15.770 -2.654 13.306 30 HE2 HIS 4 HE2 HIS 4 17.751 -3.883 14.244 31 H HIS 5 H HIS 5 19.803 -1.543 7.348 32 HA HIS 5 HA HIS 5 18.409 0.632 8.782 33 HB2 HIS 5 2HB HIS 5 20.888 0.882 8.432 34 HB3 HIS 5 1HB HIS 5 20.594 0.901 6.696 35 HD1 HIS 5 HD1 HIS 5 19.528 2.891 9.769 36 HD2 HIS 5 HD2 HIS 5 20.188 3.399 5.698 37 HE1 HIS 5 HE1 HIS 5 19.226 5.338 9.343 38 HE2 HIS 5 HE2 HIS 5 19.479 5.596 6.856 39 H HIS 6 H HIS 6 17.242 -1.365 6.897 40 HA HIS 6 HA HIS 6 15.672 -1.470 5.268 41 HB2 HIS 6 2HB HIS 6 14.885 0.691 6.412 42 HB3 HIS 6 1HB HIS 6 15.678 1.550 5.095 43 HD1 HIS 6 HD1 HIS 6 12.519 0.110 6.025 44 HD2 HIS 6 HD2 HIS 6 14.556 0.690 2.450 45 HE1 HIS 6 HE1 HIS 6 10.785 -0.090 4.228 46 HE2 HIS 6 HE2 HIS 6 12.076 0.060 2.074 47 H HIS 7 H HIS 7 15.997 -2.049 3.191 48 HA HIS 7 HA HIS 7 18.501 -1.380 1.970 49 HB2 HIS 7 2HB HIS 7 16.185 -3.028 0.924 50 HB3 HIS 7 1HB HIS 7 17.762 -2.910 0.150 51 HD1 HIS 7 HD1 HIS 7 19.811 -3.898 1.579 52 HD2 HIS 7 HD2 HIS 7 16.003 -4.925 2.887 53 HE1 HIS 7 HE1 HIS 7 20.130 -5.875 3.089 54 HE2 HIS 7 HE2 HIS 7 17.804 -6.579 3.723 55 H HIS 8 H HIS 8 18.941 -0.304 0.057 56 HA HIS 8 HA HIS 8 17.032 1.673 -0.851 57 HB2 HIS 8 2HB HIS 8 19.805 0.965 -1.858 58 HB3 HIS 8 1HB HIS 8 18.855 2.337 -2.414 59 HD1 HIS 8 HD1 HIS 8 20.692 1.080 0.648 60 HD2 HIS 8 HD2 HIS 8 19.002 4.585 -0.818 61 HE1 HIS 8 HE1 HIS 8 21.433 2.890 2.214 62 HE2 HIS 8 HE2 HIS 8 20.575 5.017 1.189 63 H SER 9 H SER 9 15.385 0.971 -2.126 64 HA SER 9 HA SER 9 15.994 -0.806 -4.395 65 HB2 SER 9 2HB SER 9 14.057 -2.224 -3.912 66 HB3 SER 9 1HB SER 9 15.162 -2.229 -2.537 67 HG SER 9 HG SER 9 13.490 -1.643 -1.421 68 H HIS 10 H HIS 10 13.660 -1.171 -5.565 69 HA HIS 10 HA HIS 10 12.938 1.485 -6.487 70 HB2 HIS 10 2HB HIS 10 11.949 -1.222 -7.417 71 HB3 HIS 10 1HB HIS 10 11.688 0.312 -8.240 72 HD1 HIS 10 HD1 HIS 10 14.122 -2.429 -7.842 73 HD2 HIS 10 HD2 HIS 10 14.033 1.391 -9.473 74 HE1 HIS 10 HE1 HIS 10 16.134 -2.285 -9.332 75 HE2 HIS 10 HE2 HIS 10 15.943 -0.042 -10.448 76 H MET 11 H MET 11 11.984 0.472 -3.759 77 HA MET 11 HA MET 11 9.154 0.096 -4.029 78 HB2 MET 11 2HB MET 11 10.882 0.665 -1.621 79 HB3 MET 11 1HB MET 11 9.142 0.429 -1.522 80 HG2 MET 11 2HG MET 11 9.428 -1.813 -2.521 81 HG3 MET 11 1HG MET 11 11.176 -1.574 -2.482 82 HE1 MET 11 3HE MET 11 10.537 -4.188 0.390 83 HE2 MET 11 1HE MET 11 11.353 -3.878 -1.140 84 HE3 MET 11 2HE MET 11 9.600 -4.059 -1.099 85 H LEU 12 H LEU 12 11.172 2.914 -3.800 86 HA LEU 12 HA LEU 12 9.159 4.723 -2.911 87 HB2 LEU 12 2HB LEU 12 11.759 5.181 -4.377 88 HB3 LEU 12 1HB LEU 12 10.691 6.493 -3.921 89 HG LEU 12 HG LEU 12 10.955 5.855 -1.534 90 HD11 LEU 12 1HD1 LEU 12 12.714 4.305 -0.866 91 HD12 LEU 12 2HD1 LEU 12 13.034 3.918 -2.556 92 HD13 LEU 12 3HD1 LEU 12 11.488 3.482 -1.829 93 HD21 LEU 12 3HD2 LEU 12 12.349 7.607 -2.481 94 HD22 LEU 12 1HD2 LEU 12 13.529 6.409 -3.017 95 HD23 LEU 12 2HD2 LEU 12 13.260 6.674 -1.293 96 HA PRO 13 HA PRO 13 8.061 5.311 -7.535 97 HB2 PRO 13 2HB PRO 13 9.428 4.082 -9.476 98 HB3 PRO 13 1HB PRO 13 10.065 5.546 -8.717 99 HG2 PRO 13 2HG PRO 13 10.787 2.679 -8.194 100 HG3 PRO 13 1HG PRO 13 11.856 4.082 -8.394 101 HD2 PRO 13 2HD PRO 13 11.094 3.060 -5.954 102 HD3 PRO 13 1HD PRO 13 11.589 4.744 -6.215 103 HA PRO 14 HA PRO 14 5.788 1.406 -8.263 104 HB2 PRO 14 2HB PRO 14 5.432 1.271 -10.958 105 HB3 PRO 14 1HB PRO 14 4.552 2.414 -9.936 106 HG2 PRO 14 2HG PRO 14 7.013 2.871 -11.598 107 HG3 PRO 14 1HG PRO 14 5.548 3.866 -11.480 108 HD2 PRO 14 2HD PRO 14 7.792 4.486 -10.124 109 HD3 PRO 14 1HD PRO 14 6.178 4.780 -9.442 110 H GLU 15 H GLU 15 5.979 -0.343 -10.534 111 HA GLU 15 HA GLU 15 7.224 -1.927 -11.605 112 HB2 GLU 15 2HB GLU 15 8.908 -0.246 -12.127 113 HB3 GLU 15 1HB GLU 15 9.629 -0.437 -10.533 114 HG2 GLU 15 2HG GLU 15 10.075 -2.842 -11.148 115 HG3 GLU 15 1HG GLU 15 9.593 -2.427 -12.792 116 H GLN 16 H GLN 16 8.690 -1.219 -8.408 117 HA GLN 16 HA GLN 16 9.607 -3.884 -8.004 118 HB2 GLN 16 2HB GLN 16 10.435 -1.680 -6.947 119 HB3 GLN 16 1HB GLN 16 9.129 -1.894 -5.794 120 HG2 GLN 16 2HG GLN 16 11.119 -2.747 -4.809 121 HG3 GLN 16 1HG GLN 16 10.101 -4.127 -5.219 122 HE21 GLN 16 1HE2 GLN 16 10.743 -5.490 -6.907 123 HE22 GLN 16 2HE2 GLN 16 12.339 -5.454 -7.564 124 H TRP 17 H TRP 17 6.503 -2.911 -8.066 125 HA TRP 17 HA TRP 17 5.595 -4.357 -5.690 126 HB2 TRP 17 2HB TRP 17 4.014 -2.657 -7.641 127 HB3 TRP 17 1HB TRP 17 3.423 -3.312 -6.116 128 HD1 TRP 17 HD TRP 17 6.125 -0.828 -7.369 129 HE1 TRP 17 HE1 TRP 17 6.443 0.986 -5.573 130 HE3 TRP 17 HE3 TRP 17 2.989 -2.695 -3.789 131 HZ2 TRP 17 HZ2 TRP 17 5.483 1.551 -2.974 132 HZ3 TRP 17 HZ3 TRP 17 2.744 -1.458 -1.672 133 HH2 TRP 17 HH TRP 17 3.966 0.620 -1.274 134 H SER 18 H SER 18 4.206 -6.110 -5.763 135 HA SER 18 HA SER 18 3.454 -7.246 -8.361 136 HB2 SER 18 2HB SER 18 4.382 -9.439 -7.801 137 HB3 SER 18 1HB SER 18 5.661 -8.227 -7.754 138 HG SER 18 HG SER 18 5.691 -8.311 -5.571 139 H HIS 19 H HIS 19 2.848 -9.839 -6.873 140 HA HIS 19 HA HIS 19 0.125 -9.471 -6.470 141 HB2 HIS 19 2HB HIS 19 1.858 -11.606 -5.190 142 HB3 HIS 19 1HB HIS 19 0.113 -11.678 -5.397 143 HD1 HIS 19 HD1 HIS 19 3.248 -12.535 -7.030 144 HD2 HIS 19 HD2 HIS 19 -0.677 -11.860 -8.217 145 HE1 HIS 19 HE1 HIS 19 3.048 -13.554 -9.315 146 HE2 HIS 19 HE2 HIS 19 0.651 -13.199 -9.981 147 H THR 20 H THR 20 2.540 -9.978 -3.864 148 HA THR 20 HA THR 20 0.493 -9.155 -1.907 149 HB THR 20 HB THR 20 3.063 -10.660 -1.357 150 HG1 THR 20 HG1 THR 20 1.962 -12.504 -1.691 151 HG21 THR 20 3HG2 THR 20 2.091 -9.599 0.627 152 HG22 THR 20 1HG2 THR 20 1.915 -11.352 0.711 153 HG23 THR 20 2HG2 THR 20 0.533 -10.346 0.275 154 H THR 21 H THR 21 3.175 -7.817 -3.393 155 HA THR 21 HA THR 21 4.785 -6.734 -1.435 156 HB THR 21 HB THR 21 3.959 -5.182 -3.897 157 HG1 THR 21 HG1 THR 21 6.201 -6.760 -4.116 158 HG21 THR 21 3HG2 THR 21 5.408 -3.959 -2.348 159 HG22 THR 21 1HG2 THR 21 6.287 -4.373 -3.822 160 HG23 THR 21 2HG2 THR 21 6.557 -5.299 -2.344 161 H VAL 22 H VAL 22 1.543 -5.749 -2.245 162 HA VAL 22 HA VAL 22 1.508 -3.142 -1.204 163 HB VAL 22 HB VAL 22 -0.775 -5.134 -1.260 164 HG11 VAL 22 1HG1 VAL 22 -2.232 -3.166 -1.280 165 HG12 VAL 22 2HG1 VAL 22 -0.824 -2.113 -1.133 166 HG13 VAL 22 3HG1 VAL 22 -1.245 -3.213 0.182 167 HG21 VAL 22 3HG2 VAL 22 0.073 -3.097 -3.331 168 HG22 VAL 22 1HG2 VAL 22 -1.358 -4.127 -3.416 169 HG23 VAL 22 2HG2 VAL 22 0.251 -4.849 -3.468 170 H ARG 23 H ARG 23 1.280 -6.255 0.409 171 HA ARG 23 HA ARG 23 0.269 -5.487 2.898 172 HB2 ARG 23 2HB ARG 23 0.531 -7.823 2.294 173 HB3 ARG 23 1HB ARG 23 2.278 -7.648 2.208 174 HG2 ARG 23 2HG ARG 23 2.387 -7.256 4.602 175 HG3 ARG 23 1HG ARG 23 0.628 -7.328 4.713 176 HD2 ARG 23 2HD ARG 23 0.637 -9.655 4.050 177 HD3 ARG 23 1HD ARG 23 2.379 -9.601 3.769 178 HE ARG 23 HE ARG 23 2.719 -9.452 6.114 179 HH11 ARG 23 1HH1 ARG 23 -0.565 -10.037 5.229 180 HH12 ARG 23 2HH1 ARG 23 -1.001 -10.578 6.813 181 HH21 ARG 23 1HH2 ARG 23 2.152 -10.149 8.127 182 HH22 ARG 23 2HH2 ARG 23 0.524 -10.636 8.443 183 H ASN 24 H ASN 24 3.566 -5.341 1.637 184 HA ASN 24 HA ASN 24 4.877 -4.612 4.034 185 HB2 ASN 24 2HB ASN 24 6.006 -5.476 1.988 186 HB3 ASN 24 1HB ASN 24 5.677 -3.943 1.189 187 HD21 ASN 24 1HD2 ASN 24 7.794 -3.376 0.899 188 HD22 ASN 24 2HD2 ASN 24 8.859 -2.990 2.202 189 H ALA 25 H ALA 25 2.703 -2.848 2.123 190 HA ALA 25 HA ALA 25 3.621 -0.266 3.201 191 HB1 ALA 25 3HB ALA 25 2.096 0.771 1.600 192 HB2 ALA 25 1HB ALA 25 1.533 -0.822 1.087 193 HB3 ALA 25 2HB ALA 25 3.201 -0.335 0.786 194 H LEU 26 H LEU 26 0.857 -2.470 3.140 195 HA LEU 26 HA LEU 26 -1.022 -0.924 4.511 196 HB2 LEU 26 2HB LEU 26 -0.645 -3.921 4.548 197 HB3 LEU 26 1HB LEU 26 -2.075 -3.089 5.134 198 HG LEU 26 HG LEU 26 -1.089 -3.118 2.273 199 HD11 LEU 26 1HD1 LEU 26 -3.487 -4.438 3.550 200 HD12 LEU 26 2HD1 LEU 26 -2.040 -5.253 2.955 201 HD13 LEU 26 3HD1 LEU 26 -3.110 -4.425 1.826 202 HD21 LEU 26 3HD2 LEU 26 -3.567 -1.854 3.455 203 HD22 LEU 26 1HD2 LEU 26 -3.167 -1.943 1.739 204 HD23 LEU 26 2HD2 LEU 26 -2.162 -0.989 2.829 205 H LYS 27 H LYS 27 1.699 -2.764 5.753 206 HA LYS 27 HA LYS 27 0.958 -2.907 8.449 207 HB2 LYS 27 2HB LYS 27 3.504 -3.010 8.850 208 HB3 LYS 27 1HB LYS 27 2.755 -4.265 7.878 209 HG2 LYS 27 2HG LYS 27 4.697 -3.751 6.713 210 HG3 LYS 27 1HG LYS 27 3.445 -2.865 5.849 211 HD2 LYS 27 2HD LYS 27 5.366 -1.444 6.086 212 HD3 LYS 27 1HD LYS 27 4.082 -0.822 7.122 213 HE2 LYS 27 2HE LYS 27 5.135 -1.753 9.075 214 HE3 LYS 27 1HE LYS 27 6.336 -2.588 8.090 215 HZ1 LYS 27 3HZ LYS 27 7.281 -0.510 7.446 216 HZ2 LYS 27 1HZ LYS 27 7.151 -0.515 9.131 217 HZ3 LYS 27 2HZ LYS 27 6.048 0.363 8.201 218 H ASP 28 H ASP 28 1.845 -0.124 6.646 219 HA ASP 28 HA ASP 28 1.991 1.429 9.155 220 HB2 ASP 28 2HB ASP 28 2.951 2.002 6.364 221 HB3 ASP 28 1HB ASP 28 2.598 3.336 7.460 222 H LEU 29 H LEU 29 0.402 1.438 5.961 223 HA LEU 29 HA LEU 29 -1.332 3.559 6.294 224 HB2 LEU 29 2HB LEU 29 -1.887 0.951 4.867 225 HB3 LEU 29 1HB LEU 29 -2.796 2.435 4.645 226 HG LEU 29 HG LEU 29 0.128 2.052 3.959 227 HD11 LEU 29 1HD1 LEU 29 -1.308 0.814 2.446 228 HD12 LEU 29 2HD1 LEU 29 -0.627 2.222 1.630 229 HD13 LEU 29 3HD1 LEU 29 -2.304 2.247 2.181 230 HD21 LEU 29 3HD2 LEU 29 -0.055 4.253 2.887 231 HD22 LEU 29 1HD2 LEU 29 -0.337 4.346 4.624 232 HD23 LEU 29 2HD2 LEU 29 -1.699 4.417 3.505 233 H LEU 30 H LEU 30 -2.037 0.146 7.105 234 HA LEU 30 HA LEU 30 -4.587 0.795 8.278 235 HB2 LEU 30 2HB LEU 30 -4.074 -1.362 7.130 236 HB3 LEU 30 1HB LEU 30 -2.999 -1.775 8.454 237 HG LEU 30 HG LEU 30 -4.912 -1.753 10.014 238 HD11 LEU 30 1HD1 LEU 30 -6.330 -0.130 8.881 239 HD12 LEU 30 2HD1 LEU 30 -7.204 -1.636 9.152 240 HD13 LEU 30 3HD1 LEU 30 -6.582 -1.255 7.545 241 HD21 LEU 30 3HD2 LEU 30 -5.338 -3.524 7.603 242 HD22 LEU 30 1HD2 LEU 30 -5.983 -3.799 9.222 243 HD23 LEU 30 2HD2 LEU 30 -4.242 -3.850 8.946 244 H LYS 31 H LYS 31 -1.338 0.656 9.418 245 HA LYS 31 HA LYS 31 -1.872 0.192 12.180 246 HB2 LYS 31 2HB LYS 31 0.341 -0.205 11.208 247 HB3 LYS 31 1HB LYS 31 0.509 1.500 10.829 248 HG2 LYS 31 2HG LYS 31 0.038 0.793 13.675 249 HG3 LYS 31 1HG LYS 31 1.602 0.364 12.987 250 HD2 LYS 31 2HD LYS 31 0.395 3.139 12.930 251 HD3 LYS 31 1HD LYS 31 1.594 2.586 14.100 252 HE2 LYS 31 2HE LYS 31 3.196 2.193 12.303 253 HE3 LYS 31 1HE LYS 31 1.993 2.675 11.106 254 HZ1 LYS 31 3HZ LYS 31 3.526 4.475 11.583 255 HZ2 LYS 31 1HZ LYS 31 3.122 4.422 13.225 256 HZ3 LYS 31 2HZ LYS 31 1.965 4.886 12.080 257 H ASP 32 H ASP 32 -1.512 3.123 10.216 258 HA ASP 32 HA ASP 32 -2.057 4.799 12.541 259 HB2 ASP 32 2HB ASP 32 -1.408 5.498 9.670 260 HB3 ASP 32 1HB ASP 32 -1.713 6.690 10.933 261 H MET 33 H MET 33 -3.673 3.842 9.526 262 HA MET 33 HA MET 33 -6.035 5.400 10.374 263 HB2 MET 33 2HB MET 33 -5.152 6.087 8.204 264 HB3 MET 33 1HB MET 33 -5.260 4.434 7.611 265 HG2 MET 33 2HG MET 33 -7.083 5.923 6.823 266 HG3 MET 33 1HG MET 33 -7.646 4.490 7.680 267 HE1 MET 33 3HE MET 33 -7.602 8.747 9.475 268 HE2 MET 33 1HE MET 33 -7.181 8.383 7.801 269 HE3 MET 33 2HE MET 33 -6.128 7.850 9.111 270 H ASN 34 H ASN 34 -8.099 4.465 10.348 271 HA ASN 34 HA ASN 34 -8.144 1.636 10.920 272 HB2 ASN 34 2HB ASN 34 -10.404 3.653 10.835 273 HB3 ASN 34 1HB ASN 34 -10.521 2.013 11.466 274 HD21 ASN 34 1HD2 ASN 34 -9.344 5.218 12.040 275 HD22 ASN 34 2HD2 ASN 34 -8.875 4.966 13.681 276 H GLN 35 H GLN 35 -9.821 0.193 9.972 277 HA GLN 35 HA GLN 35 -9.232 -0.304 7.323 278 HB2 GLN 35 2HB GLN 35 -11.655 -1.186 8.898 279 HB3 GLN 35 1HB GLN 35 -11.175 -1.871 7.352 280 HG2 GLN 35 2HG GLN 35 -9.096 -2.665 8.319 281 HG3 GLN 35 1HG GLN 35 -9.506 -1.921 9.864 282 HE21 GLN 35 1HE2 GLN 35 -11.911 -3.493 7.896 283 HE22 GLN 35 2HE2 GLN 35 -12.139 -4.857 8.925 284 H SER 36 H SER 36 -12.496 0.748 8.403 285 HA SER 36 HA SER 36 -13.514 1.103 5.822 286 HB2 SER 36 2HB SER 36 -14.397 2.385 8.418 287 HB3 SER 36 1HB SER 36 -15.313 2.468 6.913 288 HG SER 36 HG SER 36 -15.703 0.319 7.003 289 H SER 37 H SER 37 -11.817 3.420 7.888 290 HA SER 37 HA SER 37 -12.358 5.685 6.217 291 HB2 SER 37 2HB SER 37 -11.820 5.979 8.588 292 HB3 SER 37 1HB SER 37 -10.207 5.318 8.319 293 HG SER 37 HG SER 37 -9.722 7.344 7.996 294 H LEU 38 H LEU 38 -9.800 3.275 6.319 295 HA LEU 38 HA LEU 38 -8.062 4.595 4.474 296 HB2 LEU 38 2HB LEU 38 -7.491 2.690 6.096 297 HB3 LEU 38 1HB LEU 38 -8.239 1.611 4.941 298 HG LEU 38 HG LEU 38 -5.735 1.699 4.838 299 HD11 LEU 38 1HD1 LEU 38 -5.564 1.768 2.414 300 HD12 LEU 38 2HD1 LEU 38 -7.132 2.566 2.307 301 HD13 LEU 38 3HD1 LEU 38 -7.024 0.914 2.917 302 HD21 LEU 38 3HD2 LEU 38 -5.441 4.074 5.301 303 HD22 LEU 38 1HD2 LEU 38 -6.202 4.483 3.765 304 HD23 LEU 38 2HD2 LEU 38 -4.662 3.623 3.785 305 H ALA 39 H ALA 39 -10.493 2.009 4.131 306 HA ALA 39 HA ALA 39 -10.305 1.843 1.285 307 HB1 ALA 39 3HB ALA 39 -12.284 0.431 1.425 308 HB2 ALA 39 1HB ALA 39 -12.542 0.929 3.099 309 HB3 ALA 39 2HB ALA 39 -11.116 -0.016 2.668 310 H LYS 40 H LYS 40 -11.682 4.186 3.278 311 HA LYS 40 HA LYS 40 -14.018 4.984 2.010 312 HB2 LYS 40 2HB LYS 40 -13.317 5.957 4.103 313 HB3 LYS 40 1HB LYS 40 -11.873 6.632 3.363 314 HG2 LYS 40 2HG LYS 40 -13.265 8.136 2.018 315 HG3 LYS 40 1HG LYS 40 -14.714 7.455 2.764 316 HD2 LYS 40 2HD LYS 40 -13.999 8.250 4.948 317 HD3 LYS 40 1HD LYS 40 -12.485 8.846 4.264 318 HE2 LYS 40 2HE LYS 40 -14.112 10.654 4.616 319 HE3 LYS 40 1HE LYS 40 -13.702 10.461 2.913 320 HZ1 LYS 40 3HZ LYS 40 -16.136 9.347 4.194 321 HZ2 LYS 40 1HZ LYS 40 -15.757 9.304 2.547 322 HZ3 LYS 40 2HZ LYS 40 -16.090 10.779 3.301 323 H GLU 41 H GLU 41 -10.754 6.339 1.385 324 HA GLU 41 HA GLU 41 -11.730 7.257 -1.238 325 HB2 GLU 41 2HB GLU 41 -9.721 8.751 -1.228 326 HB3 GLU 41 1HB GLU 41 -10.882 9.077 0.049 327 HG2 GLU 41 2HG GLU 41 -9.435 7.785 1.616 328 HG3 GLU 41 1HG GLU 41 -8.242 7.645 0.323 329 H CYS 42 H CYS 42 -10.290 4.614 -0.105 330 HA CYS 42 HA CYS 42 -8.356 4.330 -2.295 331 HB2 CYS 42 2HB CYS 42 -7.589 3.601 -0.091 332 HB3 CYS 42 1HB CYS 42 -8.957 2.499 0.042 333 HG CYS 42 HG CYS 42 -6.510 1.123 -0.476 334 HA PRO 43 HA PRO 43 -11.397 2.214 -4.795 335 HB2 PRO 43 2HB PRO 43 -9.076 1.004 -6.186 336 HB3 PRO 43 1HB PRO 43 -10.359 2.038 -6.825 337 HG2 PRO 43 2HG PRO 43 -7.870 2.971 -6.491 338 HG3 PRO 43 1HG PRO 43 -9.288 3.993 -6.185 339 HD2 PRO 43 2HD PRO 43 -7.533 2.552 -4.217 340 HD3 PRO 43 1HD PRO 43 -8.196 4.200 -4.138 341 H LEU 44 H LEU 44 -8.969 0.553 -2.958 342 HA LEU 44 HA LEU 44 -9.761 -2.115 -3.701 343 HB2 LEU 44 2HB LEU 44 -8.103 -1.152 -1.362 344 HB3 LEU 44 1HB LEU 44 -8.285 -2.827 -1.851 345 HG LEU 44 HG LEU 44 -6.966 -0.643 -3.476 346 HD11 LEU 44 1HD1 LEU 44 -4.904 -1.884 -3.057 347 HD12 LEU 44 2HD1 LEU 44 -5.787 -3.018 -2.034 348 HD13 LEU 44 3HD1 LEU 44 -5.634 -1.327 -1.552 349 HD21 LEU 44 3HD2 LEU 44 -7.247 -3.594 -4.068 350 HD22 LEU 44 1HD2 LEU 44 -6.327 -2.426 -5.019 351 HD23 LEU 44 2HD2 LEU 44 -8.082 -2.286 -4.910 352 H SER 45 H SER 45 -11.140 -3.506 -2.671 353 HA SER 45 HA SER 45 -13.163 -2.473 -0.968 354 HB2 SER 45 2HB SER 45 -12.481 -5.364 -1.586 355 HB3 SER 45 1HB SER 45 -13.977 -4.803 -0.835 356 HG SER 45 HG SER 45 -13.964 -5.192 -3.205 357 H GLN 46 H GLN 46 -13.599 -2.838 1.203 358 HA GLN 46 HA GLN 46 -11.414 -2.543 2.909 359 HB2 GLN 46 2HB GLN 46 -13.672 -1.676 3.353 360 HB3 GLN 46 1HB GLN 46 -14.258 -3.311 3.603 361 HG2 GLN 46 2HG GLN 46 -11.994 -2.405 5.297 362 HG3 GLN 46 1HG GLN 46 -13.575 -1.693 5.603 363 HE21 GLN 46 1HE2 GLN 46 -11.677 -4.603 5.724 364 HE22 GLN 46 2HE2 GLN 46 -12.802 -5.525 6.659 365 H SER 47 H SER 47 -13.447 -5.449 2.405 366 HA SER 47 HA SER 47 -12.012 -6.983 4.351 367 HB2 SER 47 2HB SER 47 -13.939 -7.825 2.180 368 HB3 SER 47 1HB SER 47 -13.213 -8.955 3.321 369 HG SER 47 HG SER 47 -15.087 -6.910 3.774 370 H MET 48 H MET 48 -11.646 -6.524 0.867 371 HA MET 48 HA MET 48 -9.754 -8.569 0.410 372 HB2 MET 48 2HB MET 48 -10.037 -5.869 -0.933 373 HB3 MET 48 1HB MET 48 -8.977 -7.150 -1.503 374 HG2 MET 48 2HG MET 48 -10.967 -8.612 -1.766 375 HG3 MET 48 1HG MET 48 -11.983 -7.238 -1.329 376 HE1 MET 48 3HE MET 48 -8.689 -7.343 -3.553 377 HE2 MET 48 1HE MET 48 -9.410 -7.516 -5.153 378 HE3 MET 48 2HE MET 48 -9.581 -8.808 -3.966 379 H ILE 49 H ILE 49 -9.308 -5.173 1.406 380 HA ILE 49 HA ILE 49 -6.519 -5.184 1.707 381 HB ILE 49 HB ILE 49 -8.563 -3.678 3.367 382 HG12 ILE 49 2HG1 ILE 49 -7.051 -2.817 0.881 383 HG13 ILE 49 1HG1 ILE 49 -8.749 -3.277 0.920 384 HG21 ILE 49 1HG2 ILE 49 -6.371 -3.707 4.445 385 HG22 ILE 49 2HG2 ILE 49 -6.737 -2.096 3.827 386 HG23 ILE 49 3HG2 ILE 49 -5.615 -3.140 2.954 387 HD11 ILE 49 3HD1 ILE 49 -9.238 -1.378 2.366 388 HD12 ILE 49 1HD1 ILE 49 -8.472 -0.867 0.863 389 HD13 ILE 49 2HD1 ILE 49 -7.532 -0.923 2.353 390 H SER 50 H SER 50 -9.067 -5.972 4.068 391 HA SER 50 HA SER 50 -7.424 -6.667 6.236 392 HB2 SER 50 2HB SER 50 -9.809 -6.368 6.564 393 HB3 SER 50 1HB SER 50 -10.169 -7.718 5.487 394 HG SER 50 HG SER 50 -9.898 -7.859 8.053 395 H SER 51 H SER 51 -8.473 -8.575 3.462 396 HA SER 51 HA SER 51 -7.644 -11.106 4.388 397 HB2 SER 51 2HB SER 51 -7.955 -10.052 1.566 398 HB3 SER 51 1HB SER 51 -7.585 -11.736 1.940 399 HG SER 51 HG SER 51 -9.923 -10.260 2.572 400 H ILE 52 H ILE 52 -5.894 -8.701 2.403 401 HA ILE 52 HA ILE 52 -3.528 -10.169 2.052 402 HB ILE 52 HB ILE 52 -3.768 -7.159 2.340 403 HG12 ILE 52 2HG1 ILE 52 -3.991 -8.885 -0.150 404 HG13 ILE 52 1HG1 ILE 52 -5.335 -8.077 0.652 405 HG21 ILE 52 1HG2 ILE 52 -1.674 -8.855 0.970 406 HG22 ILE 52 2HG2 ILE 52 -1.457 -7.908 2.441 407 HG23 ILE 52 3HG2 ILE 52 -1.759 -7.093 0.907 408 HD11 ILE 52 3HD1 ILE 52 -4.616 -6.860 -1.320 409 HD12 ILE 52 1HD1 ILE 52 -2.988 -6.722 -0.659 410 HD13 ILE 52 2HD1 ILE 52 -4.334 -5.910 0.139 411 H VAL 53 H VAL 53 -4.771 -8.579 4.864 412 HA VAL 53 HA VAL 53 -2.218 -8.597 6.277 413 HB VAL 53 HB VAL 53 -4.973 -7.817 7.276 414 HG11 VAL 53 1HG1 VAL 53 -3.779 -6.731 9.124 415 HG12 VAL 53 2HG1 VAL 53 -2.249 -7.357 8.507 416 HG13 VAL 53 3HG1 VAL 53 -3.483 -8.469 9.101 417 HG21 VAL 53 3HG2 VAL 53 -4.210 -5.503 6.994 418 HG22 VAL 53 1HG2 VAL 53 -4.206 -6.369 5.458 419 HG23 VAL 53 2HG2 VAL 53 -2.690 -6.085 6.312 420 H ASN 54 H ASN 54 -5.396 -10.229 6.573 421 HA ASN 54 HA ASN 54 -4.442 -11.761 8.859 422 HB2 ASN 54 2HB ASN 54 -7.149 -11.625 7.522 423 HB3 ASN 54 1HB ASN 54 -6.792 -12.644 8.913 424 HD21 ASN 54 1HD2 ASN 54 -7.367 -9.418 7.810 425 HD22 ASN 54 2HD2 ASN 54 -7.447 -8.693 9.375 426 H SER 55 H SER 55 -5.122 -12.362 5.459 427 HA SER 55 HA SER 55 -5.395 -15.184 5.667 428 HB2 SER 55 2HB SER 55 -4.634 -13.495 3.266 429 HB3 SER 55 1HB SER 55 -5.047 -15.209 3.202 430 HG SER 55 HG SER 55 -6.899 -13.670 4.522 431 H THR 56 H THR 56 -3.928 -16.711 5.958 432 HA THR 56 HA THR 56 -1.140 -16.082 6.255 433 HB THR 56 HB THR 56 -0.868 -18.503 6.748 434 HG1 THR 56 HG1 THR 56 -2.361 -19.863 6.115 435 HG21 THR 56 3HG2 THR 56 -1.484 -17.009 8.566 436 HG22 THR 56 1HG2 THR 56 -2.309 -18.555 8.761 437 HG23 THR 56 2HG2 THR 56 -3.191 -17.157 8.144 438 H TYR 57 H TYR 57 -3.041 -17.041 3.598 439 HA TYR 57 HA TYR 57 -0.618 -17.714 2.058 440 HB2 TYR 57 2HB TYR 57 -1.890 -19.331 0.740 441 HB3 TYR 57 1HB TYR 57 -1.966 -19.758 2.446 442 HD1 TYR 57 HD1 TYR 57 -4.082 -19.173 3.745 443 HD2 TYR 57 HD2 TYR 57 -3.871 -18.975 -0.506 444 HE1 TYR 57 HE1 TYR 57 -6.539 -19.223 3.624 445 HE2 TYR 57 HE2 TYR 57 -6.324 -19.028 -0.637 446 HH TYR 57 HH TYR 57 -8.330 -18.519 2.032 447 H TYR 58 H TYR 58 -0.442 -16.798 0.031 448 HA TYR 58 HA TYR 58 -2.628 -14.985 -0.791 449 HB2 TYR 58 2HB TYR 58 0.300 -14.413 -1.269 450 HB3 TYR 58 1HB TYR 58 -1.065 -13.315 -1.456 451 HD1 TYR 58 HD1 TYR 58 -2.278 -12.517 0.621 452 HD2 TYR 58 HD2 TYR 58 1.398 -14.664 0.807 453 HE1 TYR 58 HE1 TYR 58 -1.956 -11.764 2.940 454 HE2 TYR 58 HE2 TYR 58 1.726 -13.908 3.118 455 HH TYR 58 HH TYR 58 -0.719 -12.586 4.969 456 H ALA 59 H ALA 59 0.329 -15.351 -2.639 457 HA ALA 59 HA ALA 59 0.761 -16.092 -4.737 458 HB1 ALA 59 3HB ALA 59 0.056 -18.351 -5.290 459 HB2 ALA 59 1HB ALA 59 -1.147 -18.310 -4.000 460 HB3 ALA 59 2HB ALA 59 0.572 -18.253 -3.605 461 H ASN 60 H ASN 60 -2.658 -17.094 -4.568 462 HA ASN 60 HA ASN 60 -3.284 -16.430 -7.212 463 HB2 ASN 60 2HB ASN 60 -4.526 -17.968 -5.588 464 HB3 ASN 60 1HB ASN 60 -5.278 -16.520 -4.936 465 HD21 ASN 60 1HD2 ASN 60 -6.483 -18.800 -6.258 466 HD22 ASN 60 2HD2 ASN 60 -7.338 -18.175 -7.622 467 H VAL 61 H VAL 61 -3.038 -14.379 -4.437 468 HA VAL 61 HA VAL 61 -4.811 -12.324 -4.902 469 HB VAL 61 HB VAL 61 -1.945 -12.058 -3.949 470 HG11 VAL 61 1HG1 VAL 61 -4.253 -10.120 -3.668 471 HG12 VAL 61 2HG1 VAL 61 -2.819 -9.890 -4.671 472 HG13 VAL 61 3HG1 VAL 61 -2.668 -9.947 -2.914 473 HG21 VAL 61 3HG2 VAL 61 -2.929 -12.098 -1.700 474 HG22 VAL 61 1HG2 VAL 61 -3.286 -13.582 -2.584 475 HG23 VAL 61 2HG2 VAL 61 -4.529 -12.344 -2.400 476 H SER 62 H SER 62 -5.214 -11.152 -6.624 477 HA SER 62 HA SER 62 -4.037 -11.328 -9.058 478 HB2 SER 62 2HB SER 62 -6.195 -10.338 -8.879 479 HB3 SER 62 1HB SER 62 -5.581 -9.012 -7.892 480 HG SER 62 HG SER 62 -5.775 -9.154 -10.547 481 H ALA 63 H ALA 63 -2.273 -10.663 -10.050 482 HA ALA 63 HA ALA 63 -0.430 -8.758 -8.934 483 HB1 ALA 63 3HB ALA 63 0.382 -10.624 -10.283 484 HB2 ALA 63 1HB ALA 63 0.831 -9.089 -11.022 485 HB3 ALA 63 2HB ALA 63 -0.511 -10.026 -11.680 486 H ALA 64 H ALA 64 -3.034 -8.698 -11.285 487 HA ALA 64 HA ALA 64 -2.631 -6.190 -12.462 488 HB1 ALA 64 3HB ALA 64 -4.372 -7.734 -13.215 489 HB2 ALA 64 1HB ALA 64 -5.059 -6.153 -12.843 490 HB3 ALA 64 2HB ALA 64 -5.257 -7.491 -11.710 491 H LYS 65 H LYS 65 -4.152 -7.094 -9.417 492 HA LYS 65 HA LYS 65 -5.040 -4.673 -8.447 493 HB2 LYS 65 2HB LYS 65 -5.405 -6.840 -7.348 494 HB3 LYS 65 1HB LYS 65 -3.708 -6.930 -6.923 495 HG2 LYS 65 2HG LYS 65 -5.340 -4.625 -5.944 496 HG3 LYS 65 1HG LYS 65 -5.513 -6.198 -5.171 497 HD2 LYS 65 2HD LYS 65 -2.875 -4.753 -5.505 498 HD3 LYS 65 1HD LYS 65 -3.879 -4.657 -4.063 499 HE2 LYS 65 2HE LYS 65 -2.222 -6.274 -3.594 500 HE3 LYS 65 1HE LYS 65 -3.697 -7.182 -3.915 501 HZ1 LYS 65 3HZ LYS 65 -2.891 -7.694 -6.113 502 HZ2 LYS 65 1HZ LYS 65 -1.717 -8.134 -4.978 503 HZ3 LYS 65 2HZ LYS 65 -1.526 -6.725 -5.889 504 H CYS 66 H CYS 66 -1.729 -5.752 -8.810 505 HA CYS 66 HA CYS 66 -0.434 -4.003 -7.027 506 HB2 CYS 66 2HB CYS 66 0.873 -5.746 -7.960 507 HB3 CYS 66 1HB CYS 66 0.473 -5.273 -9.608 508 HG CYS 66 HG CYS 66 1.907 -2.696 -8.265 509 H GLN 67 H GLN 67 -1.080 -3.567 -10.523 510 HA GLN 67 HA GLN 67 -0.047 -0.890 -10.506 511 HB2 GLN 67 2HB GLN 67 0.025 -2.352 -12.514 512 HB3 GLN 67 1HB GLN 67 -1.725 -2.252 -12.625 513 HG2 GLN 67 2HG GLN 67 -0.720 -0.733 -14.204 514 HG3 GLN 67 1HG GLN 67 -1.554 0.182 -12.951 515 HE21 GLN 67 1HE2 GLN 67 1.523 -0.671 -14.305 516 HE22 GLN 67 2HE2 GLN 67 2.443 0.543 -13.487 517 H GLU 68 H GLU 68 -3.229 -2.324 -10.103 518 HA GLU 68 HA GLU 68 -4.771 0.028 -10.362 519 HB2 GLU 68 2HB GLU 68 -5.260 -2.375 -8.582 520 HB3 GLU 68 1HB GLU 68 -6.453 -1.140 -8.959 521 HG2 GLU 68 2HG GLU 68 -6.234 -1.761 -11.368 522 HG3 GLU 68 1HG GLU 68 -5.190 -3.095 -10.877 523 H PHE 69 H PHE 69 -3.253 -1.456 -7.502 524 HA PHE 69 HA PHE 69 -3.864 0.657 -5.705 525 HB2 PHE 69 2HB PHE 69 -3.266 -1.556 -4.874 526 HB3 PHE 69 1HB PHE 69 -1.677 -1.444 -5.622 527 HD1 PHE 69 HD1 PHE 69 -3.839 0.135 -3.037 528 HD2 PHE 69 HD2 PHE 69 0.131 -0.564 -4.423 529 HE1 PHE 69 HE1 PHE 69 -2.942 1.116 -0.963 530 HE2 PHE 69 HE2 PHE 69 1.029 0.411 -2.352 531 HZ PHE 69 HZ PHE 69 -0.506 1.255 -0.620 532 H GLY 70 H GLY 70 -0.967 -0.094 -7.632 533 HA2 GLY 70 2HA GLY 70 0.681 2.006 -6.834 534 HA3 GLY 70 1HA GLY 70 0.742 1.228 -8.407 535 H ARG 71 H ARG 71 -1.832 1.978 -9.320 536 HA ARG 71 HA ARG 71 -1.486 4.458 -10.499 537 HB2 ARG 71 2HB ARG 71 -3.155 2.709 -11.139 538 HB3 ARG 71 1HB ARG 71 -4.120 3.160 -9.742 539 HG2 ARG 71 2HG ARG 71 -4.187 5.506 -10.758 540 HG3 ARG 71 1HG ARG 71 -3.578 4.749 -12.232 541 HD2 ARG 71 2HD ARG 71 -6.166 4.183 -10.790 542 HD3 ARG 71 1HD ARG 71 -5.955 4.838 -12.411 543 HE ARG 71 HE ARG 71 -4.963 2.583 -12.955 544 HH11 ARG 71 1HH1 ARG 71 -7.307 2.993 -10.471 545 HH12 ARG 71 2HH1 ARG 71 -7.898 1.373 -10.597 546 HH21 ARG 71 1HH2 ARG 71 -5.719 0.509 -13.118 547 HH22 ARG 71 2HH2 ARG 71 -7.014 -0.021 -12.097 548 H TRP 72 H TRP 72 -3.499 3.700 -7.663 549 HA TRP 72 HA TRP 72 -4.188 6.402 -7.084 550 HB2 TRP 72 2HB TRP 72 -5.608 4.514 -6.423 551 HB3 TRP 72 1HB TRP 72 -4.338 3.905 -5.372 552 HD1 TRP 72 HD TRP 72 -6.899 6.765 -5.613 553 HE1 TRP 72 HE1 TRP 72 -7.284 7.715 -3.253 554 HE3 TRP 72 HE3 TRP 72 -3.300 4.150 -3.087 555 HZ2 TRP 72 HZ2 TRP 72 -6.205 7.404 -0.663 556 HZ3 TRP 72 HZ3 TRP 72 -3.042 4.535 -0.668 557 HH2 TRP 72 HH TRP 72 -4.465 6.130 0.519 558 H TYR 73 H TYR 73 -1.848 4.135 -5.694 559 HA TYR 73 HA TYR 73 -1.007 5.781 -3.555 560 HB2 TYR 73 2HB TYR 73 -0.735 3.323 -3.610 561 HB3 TYR 73 1HB TYR 73 0.456 3.494 -4.895 562 HD1 TYR 73 HD2 TYR 73 -0.129 4.966 -1.486 563 HD2 TYR 73 HD1 TYR 73 2.646 3.238 -4.221 564 HE1 TYR 73 HE2 TYR 73 1.653 5.168 0.196 565 HE2 TYR 73 HE1 TYR 73 4.431 3.441 -2.544 566 HH TYR 73 HH TYR 73 3.798 4.222 0.739 567 H LYS 74 H LYS 74 0.167 5.450 -6.875 568 HA LYS 74 HA LYS 74 2.513 7.043 -6.520 569 HB2 LYS 74 2HB LYS 74 2.274 5.485 -8.404 570 HB3 LYS 74 1HB LYS 74 0.931 6.425 -9.032 571 HG2 LYS 74 2HG LYS 74 2.343 8.236 -9.618 572 HG3 LYS 74 1HG LYS 74 3.695 7.569 -8.699 573 HD2 LYS 74 2HD LYS 74 4.006 7.219 -11.102 574 HD3 LYS 74 1HD LYS 74 3.834 5.680 -10.257 575 HE2 LYS 74 2HE LYS 74 2.556 5.577 -12.283 576 HE3 LYS 74 1HE LYS 74 1.429 5.650 -10.930 577 HZ1 LYS 74 3HZ LYS 74 0.788 7.096 -12.775 578 HZ2 LYS 74 1HZ LYS 74 2.229 7.962 -12.610 579 HZ3 LYS 74 2HZ LYS 74 1.081 7.981 -11.365 580 H HIS 75 H HIS 75 -0.730 7.762 -7.812 581 HA HIS 75 HA HIS 75 -0.433 10.523 -8.186 582 HB2 HIS 75 2HB HIS 75 -2.370 9.163 -8.970 583 HB3 HIS 75 1HB HIS 75 -2.928 9.031 -7.308 584 HD1 HIS 75 HD1 HIS 75 -3.078 11.192 -10.264 585 HD2 HIS 75 HD2 HIS 75 -3.852 11.547 -6.197 586 HE1 HIS 75 HE1 HIS 75 -4.463 13.272 -10.023 587 HE2 HIS 75 HE2 HIS 75 -4.797 13.543 -7.544 588 H PHE 76 H PHE 76 -1.133 8.643 -5.313 589 HA PHE 76 HA PHE 76 -1.880 10.723 -3.553 590 HB2 PHE 76 2HB PHE 76 -2.362 8.351 -3.145 591 HB3 PHE 76 1HB PHE 76 -0.646 8.007 -2.990 592 HD1 PHE 76 HD2 PHE 76 -3.494 9.782 -1.427 593 HD2 PHE 76 HD1 PHE 76 0.466 8.286 -0.931 594 HE1 PHE 76 HE2 PHE 76 -3.651 10.171 0.994 595 HE2 PHE 76 HE1 PHE 76 0.306 8.668 1.490 596 HZ PHE 76 HZ PHE 76 -1.749 9.614 2.455 597 H LYS 77 H LYS 77 1.240 9.643 -4.670 598 HA LYS 77 HA LYS 77 2.632 11.160 -2.563 599 HB2 LYS 77 2HB LYS 77 3.688 9.217 -4.630 600 HB3 LYS 77 1HB LYS 77 4.681 10.046 -3.440 601 HG2 LYS 77 2HG LYS 77 3.508 8.905 -1.632 602 HG3 LYS 77 1HG LYS 77 2.455 8.106 -2.803 603 HD2 LYS 77 2HD LYS 77 5.462 7.789 -2.651 604 HD3 LYS 77 1HD LYS 77 4.283 6.633 -2.031 605 HE2 LYS 77 2HE LYS 77 3.427 6.248 -4.261 606 HE3 LYS 77 1HE LYS 77 4.489 7.491 -4.918 607 HZ1 LYS 77 3HZ LYS 77 5.383 4.964 -3.642 608 HZ2 LYS 77 1HZ LYS 77 6.392 6.155 -4.289 609 HZ3 LYS 77 2HZ LYS 77 5.368 5.283 -5.301 610 H LYS 78 H LYS 78 1.732 11.445 -5.862 611 HA LYS 78 HA LYS 78 2.259 12.835 -7.573 612 HB2 LYS 78 2HB LYS 78 3.547 14.433 -5.355 613 HB3 LYS 78 1HB LYS 78 3.550 14.974 -7.025 614 HG2 LYS 78 2HG LYS 78 1.094 14.460 -5.346 615 HG3 LYS 78 1HG LYS 78 1.778 16.041 -5.728 616 HD2 LYS 78 2HD LYS 78 1.431 15.495 -8.166 617 HD3 LYS 78 1HD LYS 78 0.552 14.055 -7.652 618 HE2 LYS 78 2HE LYS 78 -1.063 15.743 -8.118 619 HE3 LYS 78 1HE LYS 78 -0.988 15.568 -6.366 620 HZ1 LYS 78 3HZ LYS 78 0.477 17.525 -6.309 621 HZ2 LYS 78 1HZ LYS 78 -1.039 17.886 -6.966 622 HZ3 LYS 78 2HZ LYS 78 0.300 17.705 -7.979 623 H THR 79 H THR 79 5.232 13.113 -5.615 624 HA THR 79 HA THR 79 7.372 12.445 -5.938 625 HB THR 79 HB THR 79 6.231 10.605 -8.058 626 HG1 THR 79 HG1 THR 79 6.599 10.439 -5.281 627 HG21 THR 79 3HG2 THR 79 8.593 10.959 -8.496 628 HG22 THR 79 1HG2 THR 79 8.367 9.355 -7.798 629 HG23 THR 79 2HG2 THR 79 8.986 10.673 -6.802 630 H LYS 80 H LYS 80 5.997 12.537 -9.255 631 HA LYS 80 HA LYS 80 8.371 13.920 -10.213 632 HB2 LYS 80 2HB LYS 80 5.891 13.077 -11.729 633 HB3 LYS 80 1HB LYS 80 7.429 13.573 -12.427 634 HG2 LYS 80 2HG LYS 80 8.510 11.605 -11.416 635 HG3 LYS 80 1HG LYS 80 6.954 11.107 -10.749 636 HD2 LYS 80 2HD LYS 80 7.429 9.862 -12.782 637 HD3 LYS 80 1HD LYS 80 6.046 10.929 -13.037 638 HE2 LYS 80 2HE LYS 80 7.546 10.978 -14.958 639 HE3 LYS 80 1HE LYS 80 7.506 12.550 -14.162 640 HZ1 LYS 80 3HZ LYS 80 9.629 10.496 -13.837 641 HZ2 LYS 80 1HZ LYS 80 9.594 12.001 -13.066 642 HZ3 LYS 80 2HZ LYS 80 9.758 11.915 -14.747 643 H ASP 81 H ASP 81 8.522 16.080 -10.283 644 HA ASP 81 HA ASP 81 6.296 17.768 -9.680 645 HB2 ASP 81 2HB ASP 81 9.128 18.409 -10.523 646 HB3 ASP 81 1HB ASP 81 7.937 19.634 -10.095 647 H MET 82 H MET 82 4.857 17.204 -11.371 648 HA MET 82 HA MET 82 5.208 18.924 -13.728 649 HB2 MET 82 2HB MET 82 4.238 17.154 -15.181 650 HB3 MET 82 1HB MET 82 5.802 16.710 -14.514 651 HG2 MET 82 2HG MET 82 4.605 15.402 -12.755 652 HG3 MET 82 1HG MET 82 3.100 15.749 -13.605 653 HE1 MET 82 3HE MET 82 2.594 13.127 -13.749 654 HE2 MET 82 1HE MET 82 4.103 12.805 -12.894 655 HE3 MET 82 2HE MET 82 3.741 11.954 -14.397 656 H MET 83 H MET 83 3.487 18.339 -11.085 657 HA MET 83 HA MET 83 1.112 19.663 -12.000 658 HB2 MET 83 2HB MET 83 0.631 17.321 -12.674 659 HB3 MET 83 1HB MET 83 0.847 16.806 -11.008 660 HG2 MET 83 2HG MET 83 -1.248 18.784 -11.883 661 HG3 MET 83 1HG MET 83 -1.524 17.049 -11.762 662 HE1 MET 83 3HE MET 83 -3.307 19.223 -10.275 663 HE2 MET 83 1HE MET 83 -3.470 18.516 -8.668 664 HE3 MET 83 2HE MET 83 -3.594 17.491 -10.098 Start of MODEL 7 1 H1 MET 1 1H MET 1 2.024 4.348 20.466 2 H2 MET 1 2H MET 1 0.441 3.987 20.942 3 H3 MET 1 3H MET 1 0.954 3.623 19.374 4 HA MET 1 HA MET 1 2.035 2.411 21.850 5 HB2 MET 1 2HB MET 1 0.878 0.353 21.125 6 HB3 MET 1 1HB MET 1 -0.245 1.658 21.466 7 HG2 MET 1 2HG MET 1 -0.475 2.093 19.068 8 HG3 MET 1 1HG MET 1 0.657 0.786 18.728 9 HE1 MET 1 3HE MET 1 -2.910 1.704 20.135 10 HE2 MET 1 1HE MET 1 -2.140 0.890 21.497 11 HE3 MET 1 2HE MET 1 -3.487 0.123 20.658 12 H GLY 2 H GLY 2 3.899 1.293 21.610 13 HA2 GLY 2 2HA GLY 2 5.840 0.533 20.643 14 HA3 GLY 2 1HA GLY 2 4.813 -0.053 19.345 15 H HIS 3 H HIS 3 4.900 0.939 17.392 16 HA HIS 3 HA HIS 3 5.280 2.435 15.741 17 HB2 HIS 3 2HB HIS 3 4.298 4.074 17.365 18 HB3 HIS 3 1HB HIS 3 5.933 4.478 17.875 19 HD1 HIS 3 HD1 HIS 3 3.507 4.942 15.080 20 HD2 HIS 3 HD2 HIS 3 7.395 6.046 16.041 21 HE1 HIS 3 HE1 HIS 3 4.142 6.696 13.409 22 HE2 HIS 3 HE2 HIS 3 6.422 7.466 14.116 23 H HIS 4 H HIS 4 7.739 1.714 18.019 24 HA HIS 4 HA HIS 4 9.972 3.023 17.072 25 HB2 HIS 4 2HB HIS 4 11.248 0.921 17.810 26 HB3 HIS 4 1HB HIS 4 10.263 1.728 19.021 27 HD1 HIS 4 HD1 HIS 4 8.695 0.279 20.281 28 HD2 HIS 4 HD2 HIS 4 9.899 -1.482 16.715 29 HE1 HIS 4 HE1 HIS 4 7.716 -2.029 20.308 30 HE2 HIS 4 HE2 HIS 4 8.605 -3.134 18.230 31 H HIS 5 H HIS 5 11.093 3.039 15.225 32 HA HIS 5 HA HIS 5 10.670 0.861 13.283 33 HB2 HIS 5 2HB HIS 5 10.645 2.631 11.481 34 HB3 HIS 5 1HB HIS 5 9.230 2.604 12.523 35 HD1 HIS 5 HD1 HIS 5 12.151 4.705 11.563 36 HD2 HIS 5 HD2 HIS 5 8.944 4.876 14.199 37 HE1 HIS 5 HE1 HIS 5 12.068 7.080 12.359 38 HE2 HIS 5 HE2 HIS 5 10.233 7.117 14.082 39 H HIS 6 H HIS 6 12.643 -0.090 13.351 40 HA HIS 6 HA HIS 6 15.011 1.588 12.785 41 HB2 HIS 6 2HB HIS 6 16.315 -0.476 13.532 42 HB3 HIS 6 1HB HIS 6 15.431 0.392 14.779 43 HD1 HIS 6 HD1 HIS 6 13.542 -0.841 15.968 44 HD2 HIS 6 HD2 HIS 6 15.266 -3.043 12.892 45 HE1 HIS 6 HE1 HIS 6 12.664 -3.177 16.236 46 HE2 HIS 6 HE2 HIS 6 13.797 -4.512 14.436 47 H HIS 7 H HIS 7 12.825 -0.030 11.090 48 HA HIS 7 HA HIS 7 14.760 -0.553 8.931 49 HB2 HIS 7 2HB HIS 7 12.380 -2.260 9.688 50 HB3 HIS 7 1HB HIS 7 13.102 -2.318 8.086 51 HD1 HIS 7 HD1 HIS 7 13.262 -3.943 11.262 52 HD2 HIS 7 HD2 HIS 7 16.016 -3.014 8.290 53 HE1 HIS 7 HE1 HIS 7 15.207 -5.483 11.641 54 HE2 HIS 7 HE2 HIS 7 16.781 -5.017 9.740 55 H HIS 8 H HIS 8 14.261 0.391 6.996 56 HA HIS 8 HA HIS 8 11.609 1.682 6.768 57 HB2 HIS 8 2HB HIS 8 12.592 3.591 5.706 58 HB3 HIS 8 1HB HIS 8 13.498 3.300 7.185 59 HD1 HIS 8 HD1 HIS 8 13.866 3.674 3.577 60 HD2 HIS 8 HD2 HIS 8 16.111 2.076 6.690 61 HE1 HIS 8 HE1 HIS 8 16.195 3.427 2.673 62 HE2 HIS 8 HE2 HIS 8 17.488 2.313 4.511 63 H SER 9 H SER 9 10.709 1.841 4.672 64 HA SER 9 HA SER 9 11.485 -0.327 2.896 65 HB2 SER 9 2HB SER 9 9.104 0.005 3.364 66 HB3 SER 9 1HB SER 9 9.185 1.643 2.714 67 HG SER 9 HG SER 9 8.850 -0.697 1.411 68 H HIS 10 H HIS 10 11.397 0.126 0.475 69 HA HIS 10 HA HIS 10 12.764 2.677 -0.159 70 HB2 HIS 10 2HB HIS 10 13.040 0.067 -1.667 71 HB3 HIS 10 1HB HIS 10 13.984 1.534 -1.903 72 HD1 HIS 10 HD1 HIS 10 14.185 -1.663 -0.354 73 HD2 HIS 10 HD2 HIS 10 15.536 2.136 0.643 74 HE1 HIS 10 HE1 HIS 10 16.014 -2.018 1.326 75 HE2 HIS 10 HE2 HIS 10 16.681 0.291 2.050 76 H MET 11 H MET 11 9.841 1.367 -0.335 77 HA MET 11 HA MET 11 9.304 1.694 -3.192 78 HB2 MET 11 2HB MET 11 7.492 0.756 -0.962 79 HB3 MET 11 1HB MET 11 7.132 0.686 -2.681 80 HG2 MET 11 2HG MET 11 9.443 -0.759 -1.403 81 HG3 MET 11 1HG MET 11 7.849 -1.472 -1.628 82 HE1 MET 11 3HE MET 11 10.395 0.680 -3.895 83 HE2 MET 11 1HE MET 11 10.968 -0.633 -4.921 84 HE3 MET 11 2HE MET 11 11.280 -0.670 -3.186 85 H LEU 12 H LEU 12 9.587 3.931 -0.966 86 HA LEU 12 HA LEU 12 7.122 5.302 -0.917 87 HB2 LEU 12 2HB LEU 12 9.937 6.354 -0.571 88 HB3 LEU 12 1HB LEU 12 8.499 7.330 -0.333 89 HG LEU 12 HG LEU 12 7.789 5.696 1.457 90 HD11 LEU 12 1HD1 LEU 12 9.495 4.255 2.445 91 HD12 LEU 12 2HD1 LEU 12 10.613 4.678 1.148 92 HD13 LEU 12 3HD1 LEU 12 9.136 3.784 0.784 93 HD21 LEU 12 3HD2 LEU 12 9.273 6.617 3.156 94 HD22 LEU 12 1HD2 LEU 12 8.801 7.856 1.994 95 HD23 LEU 12 2HD2 LEU 12 10.406 7.133 1.906 96 HA PRO 13 HA PRO 13 8.416 7.385 -5.050 97 HB2 PRO 13 2HB PRO 13 10.781 6.054 -6.085 98 HB3 PRO 13 1HB PRO 13 10.564 7.765 -5.709 99 HG2 PRO 13 2HG PRO 13 12.227 6.101 -4.306 100 HG3 PRO 13 1HG PRO 13 11.470 7.547 -3.615 101 HD2 PRO 13 2HD PRO 13 10.644 4.671 -3.361 102 HD3 PRO 13 1HD PRO 13 10.687 5.945 -2.121 103 HA PRO 14 HA PRO 14 6.392 4.108 -7.279 104 HB2 PRO 14 2HB PRO 14 7.229 5.402 -9.817 105 HB3 PRO 14 1HB PRO 14 5.605 5.046 -9.214 106 HG2 PRO 14 2HG PRO 14 6.541 7.551 -9.250 107 HG3 PRO 14 1HG PRO 14 5.515 6.971 -7.923 108 HD2 PRO 14 2HD PRO 14 8.493 7.354 -7.987 109 HD3 PRO 14 1HD PRO 14 7.337 7.721 -6.688 110 H GLU 15 H GLU 15 8.029 2.511 -6.656 111 HA GLU 15 HA GLU 15 9.746 1.748 -8.933 112 HB2 GLU 15 2HB GLU 15 11.100 2.726 -7.122 113 HB3 GLU 15 1HB GLU 15 10.479 1.519 -6.005 114 HG2 GLU 15 2HG GLU 15 11.572 -0.249 -7.224 115 HG3 GLU 15 1HG GLU 15 12.066 0.872 -8.490 116 H GLN 16 H GLN 16 8.086 0.327 -9.618 117 HA GLN 16 HA GLN 16 7.177 -1.728 -9.926 118 HB2 GLN 16 2HB GLN 16 9.740 -2.425 -8.506 119 HB3 GLN 16 1HB GLN 16 8.669 -3.657 -9.159 120 HG2 GLN 16 2HG GLN 16 9.822 -1.426 -10.820 121 HG3 GLN 16 1HG GLN 16 10.605 -2.991 -10.619 122 HE21 GLN 16 1HE2 GLN 16 8.143 -4.504 -10.597 123 HE22 GLN 16 2HE2 GLN 16 7.557 -4.506 -12.222 124 H TRP 17 H TRP 17 5.274 -1.434 -8.656 125 HA TRP 17 HA TRP 17 5.186 -2.514 -5.967 126 HB2 TRP 17 2HB TRP 17 3.017 -1.521 -7.833 127 HB3 TRP 17 1HB TRP 17 2.699 -2.138 -6.212 128 HD1 TRP 17 HD TRP 17 3.952 0.939 -8.041 129 HE1 TRP 17 HE1 TRP 17 4.316 2.836 -6.341 130 HE3 TRP 17 HE3 TRP 17 3.408 -1.726 -3.710 131 HZ2 TRP 17 HZ2 TRP 17 4.370 3.165 -3.545 132 HZ3 TRP 17 HZ3 TRP 17 3.633 -0.546 -1.563 133 HH2 TRP 17 HH TRP 17 4.105 1.852 -1.484 134 H SER 18 H SER 18 5.226 -4.649 -5.625 135 HA SER 18 HA SER 18 4.192 -6.451 -7.738 136 HB2 SER 18 2HB SER 18 5.885 -8.051 -7.084 137 HB3 SER 18 1HB SER 18 6.671 -6.490 -7.325 138 HG SER 18 HG SER 18 7.431 -6.917 -5.394 139 H HIS 19 H HIS 19 4.246 -8.831 -6.427 140 HA HIS 19 HA HIS 19 1.858 -8.941 -4.957 141 HB2 HIS 19 2HB HIS 19 2.792 -10.843 -6.205 142 HB3 HIS 19 1HB HIS 19 4.150 -10.927 -5.094 143 HD1 HIS 19 HD1 HIS 19 3.805 -12.181 -2.909 144 HD2 HIS 19 HD2 HIS 19 0.329 -11.801 -5.151 145 HE1 HIS 19 HE1 HIS 19 2.137 -13.700 -1.821 146 HE2 HIS 19 HE2 HIS 19 0.155 -13.659 -3.358 147 H THR 20 H THR 20 5.169 -8.445 -3.937 148 HA THR 20 HA THR 20 4.622 -9.033 -1.130 149 HB THR 20 HB THR 20 7.007 -8.466 -0.770 150 HG1 THR 20 HG1 THR 20 8.164 -8.281 -2.963 151 HG21 THR 20 3HG2 THR 20 6.381 -10.768 -1.376 152 HG22 THR 20 1HG2 THR 20 7.972 -10.340 -2.005 153 HG23 THR 20 2HG2 THR 20 6.575 -10.366 -3.083 154 H THR 21 H THR 21 5.986 -6.223 -2.860 155 HA THR 21 HA THR 21 6.210 -4.461 -0.776 156 HB THR 21 HB THR 21 6.193 -2.641 -2.383 157 HG1 THR 21 HG1 THR 21 5.155 -2.770 -4.248 158 HG21 THR 21 3HG2 THR 21 8.168 -4.078 -2.379 159 HG22 THR 21 1HG2 THR 21 7.825 -3.509 -4.014 160 HG23 THR 21 2HG2 THR 21 7.406 -5.157 -3.548 161 H VAL 22 H VAL 22 3.339 -4.764 -2.876 162 HA VAL 22 HA VAL 22 1.791 -2.738 -1.744 163 HB VAL 22 HB VAL 22 0.827 -5.331 -2.981 164 HG11 VAL 22 1HG1 VAL 22 -1.273 -4.157 -3.424 165 HG12 VAL 22 2HG1 VAL 22 -0.668 -2.732 -2.579 166 HG13 VAL 22 3HG1 VAL 22 -0.953 -4.229 -1.692 167 HG21 VAL 22 3HG2 VAL 22 2.274 -4.084 -4.482 168 HG22 VAL 22 1HG2 VAL 22 1.342 -2.614 -4.206 169 HG23 VAL 22 2HG2 VAL 22 0.605 -3.982 -5.039 170 H ARG 23 H ARG 23 2.376 -5.993 -0.565 171 HA ARG 23 HA ARG 23 0.229 -6.146 1.289 172 HB2 ARG 23 2HB ARG 23 1.512 -8.118 0.548 173 HB3 ARG 23 1HB ARG 23 2.941 -7.497 1.359 174 HG2 ARG 23 2HG ARG 23 1.758 -7.679 3.522 175 HG3 ARG 23 1HG ARG 23 0.373 -8.378 2.680 176 HD2 ARG 23 2HD ARG 23 1.848 -10.208 1.873 177 HD3 ARG 23 1HD ARG 23 3.166 -9.529 2.831 178 HE ARG 23 HE ARG 23 1.065 -9.924 4.577 179 HH11 ARG 23 1HH1 ARG 23 3.049 -11.859 2.541 180 HH12 ARG 23 2HH1 ARG 23 2.889 -13.268 3.525 181 HH21 ARG 23 1HH2 ARG 23 0.833 -11.743 5.828 182 HH22 ARG 23 2HH2 ARG 23 1.615 -13.213 5.358 183 H ASN 24 H ASN 24 3.690 -5.386 1.792 184 HA ASN 24 HA ASN 24 3.456 -4.674 4.507 185 HB2 ASN 24 2HB ASN 24 5.492 -3.750 2.464 186 HB3 ASN 24 1HB ASN 24 5.649 -3.563 4.209 187 HD21 ASN 24 1HD2 ASN 24 5.993 -5.407 5.485 188 HD22 ASN 24 2HD2 ASN 24 6.572 -6.880 4.796 189 H ALA 25 H ALA 25 2.981 -2.806 1.569 190 HA ALA 25 HA ALA 25 2.920 -0.219 2.673 191 HB1 ALA 25 3HB ALA 25 1.363 -1.262 0.304 192 HB2 ALA 25 1HB ALA 25 3.020 -0.659 0.263 193 HB3 ALA 25 2HB ALA 25 1.696 0.431 0.670 194 H LEU 26 H LEU 26 0.100 -2.279 1.822 195 HA LEU 26 HA LEU 26 -1.856 -0.728 3.080 196 HB2 LEU 26 2HB LEU 26 -1.763 -3.708 2.592 197 HB3 LEU 26 1HB LEU 26 -3.190 -2.866 3.165 198 HG LEU 26 HG LEU 26 -1.826 -2.330 0.514 199 HD11 LEU 26 1HD1 LEU 26 -3.755 -3.449 -0.491 200 HD12 LEU 26 2HD1 LEU 26 -4.372 -3.842 1.115 201 HD13 LEU 26 3HD1 LEU 26 -2.855 -4.548 0.556 202 HD21 LEU 26 3HD2 LEU 26 -4.453 -1.329 1.631 203 HD22 LEU 26 1HD2 LEU 26 -3.825 -1.011 0.012 204 HD23 LEU 26 2HD2 LEU 26 -2.985 -0.374 1.425 205 H LYS 27 H LYS 27 0.111 -3.368 4.378 206 HA LYS 27 HA LYS 27 -1.152 -3.629 6.875 207 HB2 LYS 27 2HB LYS 27 0.571 -5.151 5.682 208 HB3 LYS 27 1HB LYS 27 1.791 -4.124 6.414 209 HG2 LYS 27 2HG LYS 27 -0.308 -5.525 8.052 210 HG3 LYS 27 1HG LYS 27 1.206 -6.304 7.595 211 HD2 LYS 27 2HD LYS 27 2.449 -4.483 8.715 212 HD3 LYS 27 1HD LYS 27 0.916 -3.766 9.215 213 HE2 LYS 27 2HE LYS 27 0.378 -5.779 10.494 214 HE3 LYS 27 1HE LYS 27 1.885 -6.528 9.969 215 HZ1 LYS 27 3HZ LYS 27 3.094 -4.762 11.113 216 HZ2 LYS 27 1HZ LYS 27 2.109 -5.626 12.176 217 HZ3 LYS 27 2HZ LYS 27 1.640 -4.094 11.648 218 H ASP 28 H ASP 28 1.536 -1.538 5.837 219 HA ASP 28 HA ASP 28 2.188 -0.571 8.425 220 HB2 ASP 28 2HB ASP 28 3.616 -0.440 6.306 221 HB3 ASP 28 1HB ASP 28 2.631 0.943 5.844 222 H LEU 29 H LEU 29 0.323 0.981 5.777 223 HA LEU 29 HA LEU 29 -0.437 3.266 7.234 224 HB2 LEU 29 2HB LEU 29 -1.614 1.912 4.816 225 HB3 LEU 29 1HB LEU 29 -2.377 3.324 5.516 226 HG LEU 29 HG LEU 29 -1.002 3.968 3.621 227 HD11 LEU 29 1HD1 LEU 29 -1.190 5.544 5.472 228 HD12 LEU 29 2HD1 LEU 29 0.373 5.683 4.670 229 HD13 LEU 29 3HD1 LEU 29 0.248 4.852 6.221 230 HD21 LEU 29 3HD2 LEU 29 0.614 2.151 3.628 231 HD22 LEU 29 1HD2 LEU 29 1.317 2.754 5.130 232 HD23 LEU 29 2HD2 LEU 29 1.442 3.707 3.651 233 H LEU 30 H LEU 30 -2.000 0.105 6.943 234 HA LEU 30 HA LEU 30 -4.451 0.757 8.200 235 HB2 LEU 30 2HB LEU 30 -3.934 -1.298 6.831 236 HB3 LEU 30 1HB LEU 30 -3.056 -1.925 8.212 237 HG LEU 30 HG LEU 30 -5.160 -1.870 9.543 238 HD11 LEU 30 1HD1 LEU 30 -6.317 -0.099 8.355 239 HD12 LEU 30 2HD1 LEU 30 -7.291 -1.568 8.367 240 HD13 LEU 30 3HD1 LEU 30 -6.416 -1.104 6.908 241 HD21 LEU 30 3HD2 LEU 30 -4.443 -3.928 8.404 242 HD22 LEU 30 1HD2 LEU 30 -5.347 -3.445 6.967 243 HD23 LEU 30 2HD2 LEU 30 -6.200 -3.799 8.471 244 H LYS 31 H LYS 31 -1.310 0.376 9.472 245 HA LYS 31 HA LYS 31 -1.999 -0.464 12.121 246 HB2 LYS 31 2HB LYS 31 0.189 -0.964 11.874 247 HB3 LYS 31 1HB LYS 31 0.423 0.247 10.626 248 HG2 LYS 31 2HG LYS 31 0.584 1.977 12.406 249 HG3 LYS 31 1HG LYS 31 0.482 0.692 13.609 250 HD2 LYS 31 2HD LYS 31 2.805 1.403 13.174 251 HD3 LYS 31 1HD LYS 31 2.533 -0.297 12.792 252 HE2 LYS 31 2HE LYS 31 3.914 0.888 11.107 253 HE3 LYS 31 1HE LYS 31 2.442 0.192 10.435 254 HZ1 LYS 31 3HZ LYS 31 2.640 3.038 11.251 255 HZ2 LYS 31 1HZ LYS 31 1.442 2.312 10.304 256 HZ3 LYS 31 2HZ LYS 31 3.003 2.503 9.689 257 H ASP 32 H ASP 32 -1.603 2.688 10.570 258 HA ASP 32 HA ASP 32 -1.326 4.064 13.113 259 HB2 ASP 32 2HB ASP 32 -1.522 5.256 10.345 260 HB3 ASP 32 1HB ASP 32 -0.913 6.044 11.800 261 H MET 33 H MET 33 -3.968 3.325 11.009 262 HA MET 33 HA MET 33 -5.737 4.949 12.686 263 HB2 MET 33 2HB MET 33 -6.899 5.904 10.734 264 HB3 MET 33 1HB MET 33 -5.224 6.428 10.827 265 HG2 MET 33 2HG MET 33 -4.611 4.830 9.095 266 HG3 MET 33 1HG MET 33 -6.275 4.254 9.023 267 HE1 MET 33 3HE MET 33 -5.067 8.562 7.871 268 HE2 MET 33 1HE MET 33 -3.915 7.365 8.467 269 HE3 MET 33 2HE MET 33 -5.171 7.990 9.535 270 H ASN 34 H ASN 34 -8.125 4.606 11.537 271 HA ASN 34 HA ASN 34 -8.639 1.797 11.926 272 HB2 ASN 34 2HB ASN 34 -10.473 4.113 11.268 273 HB3 ASN 34 1HB ASN 34 -11.035 2.469 11.543 274 HD21 ASN 34 1HD2 ASN 34 -9.719 5.316 12.991 275 HD22 ASN 34 2HD2 ASN 34 -9.977 4.847 14.630 276 H GLN 35 H GLN 35 -10.259 0.695 10.381 277 HA GLN 35 HA GLN 35 -8.930 0.510 7.827 278 HB2 GLN 35 2HB GLN 35 -11.432 -0.959 8.690 279 HB3 GLN 35 1HB GLN 35 -10.289 -1.435 7.439 280 HG2 GLN 35 2HG GLN 35 -8.554 -1.641 9.250 281 HG3 GLN 35 1HG GLN 35 -9.852 -1.416 10.417 282 HE21 GLN 35 1HE2 GLN 35 -8.401 -3.577 8.135 283 HE22 GLN 35 2HE2 GLN 35 -9.305 -4.978 8.585 284 H SER 36 H SER 36 -11.686 2.138 9.040 285 HA SER 36 HA SER 36 -13.404 2.292 6.856 286 HB2 SER 36 2HB SER 36 -14.099 3.129 9.005 287 HB3 SER 36 1HB SER 36 -12.823 4.345 9.008 288 HG SER 36 HG SER 36 -14.320 5.565 8.180 289 H SER 37 H SER 37 -11.086 4.882 7.752 290 HA SER 37 HA SER 37 -11.478 6.423 5.454 291 HB2 SER 37 2HB SER 37 -10.375 7.306 7.473 292 HB3 SER 37 1HB SER 37 -8.975 6.280 7.159 293 HG SER 37 HG SER 37 -8.462 7.489 5.400 294 H LEU 38 H LEU 38 -8.825 4.137 6.126 295 HA LEU 38 HA LEU 38 -7.411 4.439 3.757 296 HB2 LEU 38 2HB LEU 38 -6.621 3.201 5.747 297 HB3 LEU 38 1HB LEU 38 -7.752 1.910 5.384 298 HG LEU 38 HG LEU 38 -6.548 1.469 3.260 299 HD11 LEU 38 1HD1 LEU 38 -4.622 3.569 4.263 300 HD12 LEU 38 2HD1 LEU 38 -5.638 3.675 2.826 301 HD13 LEU 38 3HD1 LEU 38 -4.336 2.488 2.899 302 HD21 LEU 38 3HD2 LEU 38 -4.818 1.417 5.738 303 HD22 LEU 38 1HD2 LEU 38 -4.544 0.471 4.273 304 HD23 LEU 38 2HD2 LEU 38 -5.984 0.186 5.251 305 H ALA 39 H ALA 39 -10.201 2.338 4.426 306 HA ALA 39 HA ALA 39 -10.138 1.000 1.901 307 HB1 ALA 39 3HB ALA 39 -12.319 0.115 2.527 308 HB2 ALA 39 1HB ALA 39 -12.424 1.274 3.852 309 HB3 ALA 39 2HB ALA 39 -11.190 0.014 3.880 310 H LYS 40 H LYS 40 -11.554 4.017 2.986 311 HA LYS 40 HA LYS 40 -13.259 4.250 0.633 312 HB2 LYS 40 2HB LYS 40 -12.709 6.196 2.883 313 HB3 LYS 40 1HB LYS 40 -13.827 6.497 1.559 314 HG2 LYS 40 2HG LYS 40 -15.036 4.380 2.294 315 HG3 LYS 40 1HG LYS 40 -14.049 4.454 3.755 316 HD2 LYS 40 2HD LYS 40 -16.201 5.510 4.147 317 HD3 LYS 40 1HD LYS 40 -14.913 6.715 4.208 318 HE2 LYS 40 2HE LYS 40 -15.429 7.371 1.893 319 HE3 LYS 40 1HE LYS 40 -16.732 6.185 1.849 320 HZ1 LYS 40 3HZ LYS 40 -16.579 8.545 3.647 321 HZ2 LYS 40 1HZ LYS 40 -17.827 7.401 3.637 322 HZ3 LYS 40 2HZ LYS 40 -17.571 8.390 2.291 323 H GLU 41 H GLU 41 -10.167 5.528 1.751 324 HA GLU 41 HA GLU 41 -9.904 7.433 -0.374 325 HB2 GLU 41 2HB GLU 41 -7.820 6.213 1.456 326 HB3 GLU 41 1HB GLU 41 -7.502 7.520 0.323 327 HG2 GLU 41 2HG GLU 41 -9.185 8.905 1.510 328 HG3 GLU 41 1HG GLU 41 -9.372 7.607 2.687 329 H CYS 42 H CYS 42 -8.982 4.068 0.064 330 HA CYS 42 HA CYS 42 -7.578 3.954 -2.487 331 HB2 CYS 42 2HB CYS 42 -8.247 1.744 -0.525 332 HB3 CYS 42 1HB CYS 42 -7.177 1.596 -1.916 333 HG CYS 42 HG CYS 42 -6.606 3.006 1.096 334 HA PRO 43 HA PRO 43 -11.275 2.572 -4.665 335 HB2 PRO 43 2HB PRO 43 -10.146 1.925 -7.026 336 HB3 PRO 43 1HB PRO 43 -10.310 3.606 -6.502 337 HG2 PRO 43 2HG PRO 43 -7.908 1.811 -6.378 338 HG3 PRO 43 1HG PRO 43 -8.008 3.509 -6.887 339 HD2 PRO 43 2HD PRO 43 -7.181 2.732 -4.399 340 HD3 PRO 43 1HD PRO 43 -7.972 4.287 -4.720 341 H LEU 44 H LEU 44 -8.888 0.624 -3.434 342 HA LEU 44 HA LEU 44 -9.496 -1.851 -4.768 343 HB2 LEU 44 2HB LEU 44 -7.965 -1.240 -2.232 344 HB3 LEU 44 1HB LEU 44 -8.200 -2.868 -2.837 345 HG LEU 44 HG LEU 44 -7.025 -2.168 -4.953 346 HD11 LEU 44 1HD1 LEU 44 -5.585 -0.171 -4.835 347 HD12 LEU 44 2HD1 LEU 44 -6.386 0.297 -3.336 348 HD13 LEU 44 3HD1 LEU 44 -7.303 0.225 -4.841 349 HD21 LEU 44 3HD2 LEU 44 -5.903 -3.457 -3.221 350 HD22 LEU 44 1HD2 LEU 44 -5.455 -1.969 -2.383 351 HD23 LEU 44 2HD2 LEU 44 -4.791 -2.320 -3.980 352 H SER 45 H SER 45 -10.545 -3.679 -3.843 353 HA SER 45 HA SER 45 -12.992 -3.109 -2.553 354 HB2 SER 45 2HB SER 45 -11.599 -5.785 -2.867 355 HB3 SER 45 1HB SER 45 -13.302 -5.552 -2.474 356 HG SER 45 HG SER 45 -13.159 -5.904 -4.663 357 H GLN 46 H GLN 46 -13.709 -3.446 -0.451 358 HA GLN 46 HA GLN 46 -11.976 -2.959 1.673 359 HB2 GLN 46 2HB GLN 46 -14.471 -2.627 1.645 360 HB3 GLN 46 1HB GLN 46 -14.662 -4.360 1.854 361 HG2 GLN 46 2HG GLN 46 -13.150 -2.650 3.818 362 HG3 GLN 46 1HG GLN 46 -14.890 -2.897 3.919 363 HE21 GLN 46 1HE2 GLN 46 -12.785 -3.646 5.791 364 HE22 GLN 46 2HE2 GLN 46 -12.943 -5.347 6.021 365 H SER 47 H SER 47 -13.303 -6.061 0.543 366 HA SER 47 HA SER 47 -12.205 -7.715 2.523 367 HB2 SER 47 2HB SER 47 -12.873 -8.336 -0.363 368 HB3 SER 47 1HB SER 47 -12.457 -9.560 0.837 369 HG SER 47 HG SER 47 -14.367 -9.346 1.738 370 H MET 48 H MET 48 -10.650 -6.228 -0.231 371 HA MET 48 HA MET 48 -8.392 -7.971 -0.334 372 HB2 MET 48 2HB MET 48 -8.715 -5.110 -1.278 373 HB3 MET 48 1HB MET 48 -7.310 -6.113 -1.618 374 HG2 MET 48 2HG MET 48 -8.693 -7.671 -2.864 375 HG3 MET 48 1HG MET 48 -10.130 -6.725 -2.479 376 HE1 MET 48 3HE MET 48 -9.284 -7.580 -5.440 377 HE2 MET 48 1HE MET 48 -9.587 -6.089 -6.330 378 HE3 MET 48 2HE MET 48 -10.730 -6.629 -5.099 379 H ILE 49 H ILE 49 -8.582 -4.593 0.846 380 HA ILE 49 HA ILE 49 -6.072 -4.490 2.037 381 HB ILE 49 HB ILE 49 -8.564 -3.024 2.938 382 HG12 ILE 49 2HG1 ILE 49 -6.448 -2.224 0.911 383 HG13 ILE 49 1HG1 ILE 49 -8.091 -2.726 0.525 384 HG21 ILE 49 1HG2 ILE 49 -6.781 -2.889 4.597 385 HG22 ILE 49 2HG2 ILE 49 -7.013 -1.328 3.811 386 HG23 ILE 49 3HG2 ILE 49 -5.644 -2.346 3.359 387 HD11 ILE 49 3HD1 ILE 49 -7.888 -0.329 0.398 388 HD12 ILE 49 1HD1 ILE 49 -7.285 -0.260 2.054 389 HD13 ILE 49 2HD1 ILE 49 -8.945 -0.769 1.740 390 H SER 50 H SER 50 -9.083 -5.761 3.331 391 HA SER 50 HA SER 50 -8.046 -6.053 6.020 392 HB2 SER 50 2HB SER 50 -10.226 -7.126 6.501 393 HB3 SER 50 1HB SER 50 -10.421 -5.566 5.702 394 HG SER 50 HG SER 50 -11.381 -6.541 4.113 395 H SER 51 H SER 51 -9.198 -8.403 3.564 396 HA SER 51 HA SER 51 -8.448 -10.640 5.148 397 HB2 SER 51 2HB SER 51 -10.267 -10.631 3.413 398 HB3 SER 51 1HB SER 51 -9.010 -10.683 2.181 399 HG SER 51 HG SER 51 -9.570 -12.775 2.560 400 H ILE 52 H ILE 52 -6.649 -8.793 2.774 401 HA ILE 52 HA ILE 52 -4.634 -10.768 2.309 402 HB ILE 52 HB ILE 52 -4.553 -7.757 2.022 403 HG12 ILE 52 2HG1 ILE 52 -4.702 -9.997 -0.019 404 HG13 ILE 52 1HG1 ILE 52 -6.035 -8.951 0.458 405 HG21 ILE 52 1HG2 ILE 52 -2.443 -9.766 1.205 406 HG22 ILE 52 2HG2 ILE 52 -2.290 -8.541 2.465 407 HG23 ILE 52 3HG2 ILE 52 -2.449 -8.054 0.779 408 HD11 ILE 52 3HD1 ILE 52 -4.843 -7.024 -0.457 409 HD12 ILE 52 1HD1 ILE 52 -5.108 -8.272 -1.673 410 HD13 ILE 52 2HD1 ILE 52 -3.515 -8.079 -0.943 411 H VAL 53 H VAL 53 -4.885 -8.062 4.611 412 HA VAL 53 HA VAL 53 -2.381 -8.551 5.878 413 HB VAL 53 HB VAL 53 -4.821 -7.101 6.950 414 HG11 VAL 53 1HG1 VAL 53 -1.958 -7.057 7.927 415 HG12 VAL 53 2HG1 VAL 53 -3.336 -7.765 8.770 416 HG13 VAL 53 3HG1 VAL 53 -3.260 -6.022 8.516 417 HG21 VAL 53 3HG2 VAL 53 -3.597 -5.058 6.288 418 HG22 VAL 53 1HG2 VAL 53 -3.994 -6.081 4.907 419 HG23 VAL 53 2HG2 VAL 53 -2.353 -6.065 5.549 420 H ASN 54 H ASN 54 -5.726 -9.461 6.700 421 HA ASN 54 HA ASN 54 -5.097 -10.919 9.047 422 HB2 ASN 54 2HB ASN 54 -7.372 -10.044 8.380 423 HB3 ASN 54 1HB ASN 54 -7.468 -11.363 7.217 424 HD21 ASN 54 1HD2 ASN 54 -9.224 -12.307 8.215 425 HD22 ASN 54 2HD2 ASN 54 -9.116 -13.108 9.738 426 H SER 55 H SER 55 -5.518 -11.889 5.670 427 HA SER 55 HA SER 55 -4.518 -13.495 4.427 428 HB2 SER 55 2HB SER 55 -3.047 -14.261 6.956 429 HB3 SER 55 1HB SER 55 -2.676 -14.853 5.338 430 HG SER 55 HG SER 55 -2.630 -12.348 4.969 431 H THR 56 H THR 56 -5.392 -14.863 7.612 432 HA THR 56 HA THR 56 -5.374 -17.500 7.110 433 HB THR 56 HB THR 56 -5.877 -16.692 9.302 434 HG1 THR 56 HG1 THR 56 -6.680 -18.634 9.475 435 HG21 THR 56 3HG2 THR 56 -8.100 -15.833 9.920 436 HG22 THR 56 1HG2 THR 56 -8.579 -15.867 8.222 437 HG23 THR 56 2HG2 THR 56 -7.294 -14.784 8.757 438 H TYR 57 H TYR 57 -8.343 -15.556 6.390 439 HA TYR 57 HA TYR 57 -9.531 -17.999 5.284 440 HB2 TYR 57 2HB TYR 57 -11.662 -16.959 5.464 441 HB3 TYR 57 1HB TYR 57 -10.795 -16.609 6.951 442 HD1 TYR 57 HD1 TYR 57 -9.816 -14.277 7.262 443 HD2 TYR 57 HD2 TYR 57 -12.507 -15.224 4.099 444 HE1 TYR 57 HE1 TYR 57 -10.318 -11.885 6.974 445 HE2 TYR 57 HE2 TYR 57 -13.005 -12.837 3.799 446 HH TYR 57 HH TYR 57 -11.169 -10.362 5.268 447 H TYR 58 H TYR 58 -7.521 -16.043 3.894 448 HA TYR 58 HA TYR 58 -9.130 -15.313 1.552 449 HB2 TYR 58 2HB TYR 58 -7.513 -13.689 2.681 450 HB3 TYR 58 1HB TYR 58 -6.213 -14.668 2.009 451 HD1 TYR 58 HD2 TYR 58 -9.254 -12.748 1.005 452 HD2 TYR 58 HD1 TYR 58 -5.430 -14.217 -0.155 453 HE1 TYR 58 HE2 TYR 58 -9.409 -11.477 -1.091 454 HE2 TYR 58 HE1 TYR 58 -5.582 -12.955 -2.255 455 HH TYR 58 HH TYR 58 -7.487 -12.030 -3.718 456 H ALA 59 H ALA 59 -9.134 -16.525 -0.249 457 HA ALA 59 HA ALA 59 -7.738 -18.992 -0.391 458 HB1 ALA 59 3HB ALA 59 -9.231 -17.555 -2.582 459 HB2 ALA 59 1HB ALA 59 -9.950 -18.634 -1.385 460 HB3 ALA 59 2HB ALA 59 -8.796 -19.265 -2.561 461 H ASN 60 H ASN 60 -7.631 -16.557 -2.995 462 HA ASN 60 HA ASN 60 -4.718 -16.555 -2.992 463 HB2 ASN 60 2HB ASN 60 -5.356 -18.505 -4.410 464 HB3 ASN 60 1HB ASN 60 -6.274 -17.420 -5.449 465 HD21 ASN 60 1HD2 ASN 60 -5.008 -17.926 -7.235 466 HD22 ASN 60 2HD2 ASN 60 -3.389 -17.355 -7.408 467 H VAL 61 H VAL 61 -3.823 -14.834 -4.321 468 HA VAL 61 HA VAL 61 -5.759 -12.621 -4.550 469 HB VAL 61 HB VAL 61 -4.126 -12.258 -2.798 470 HG11 VAL 61 1HG1 VAL 61 -2.320 -13.674 -3.633 471 HG12 VAL 61 2HG1 VAL 61 -1.733 -12.058 -3.245 472 HG13 VAL 61 3HG1 VAL 61 -1.998 -12.519 -4.927 473 HG21 VAL 61 3HG2 VAL 61 -4.910 -10.309 -4.058 474 HG22 VAL 61 1HG2 VAL 61 -3.556 -10.482 -5.177 475 HG23 VAL 61 2HG2 VAL 61 -3.259 -10.080 -3.485 476 H SER 62 H SER 62 -6.094 -11.670 -6.452 477 HA SER 62 HA SER 62 -4.539 -12.378 -8.792 478 HB2 SER 62 2HB SER 62 -6.833 -10.411 -8.493 479 HB3 SER 62 1HB SER 62 -6.151 -10.973 -10.019 480 HG SER 62 HG SER 62 -7.717 -12.363 -8.137 481 H ALA 63 H ALA 63 -2.942 -11.181 -9.724 482 HA ALA 63 HA ALA 63 -1.604 -9.215 -8.238 483 HB1 ALA 63 3HB ALA 63 -0.492 -10.655 -9.855 484 HB2 ALA 63 1HB ALA 63 -0.162 -8.954 -10.189 485 HB3 ALA 63 2HB ALA 63 -1.329 -9.838 -11.174 486 H ALA 64 H ALA 64 -4.267 -8.840 -10.369 487 HA ALA 64 HA ALA 64 -3.932 -6.364 -11.519 488 HB1 ALA 64 3HB ALA 64 -6.350 -6.203 -11.617 489 HB2 ALA 64 1HB ALA 64 -6.504 -7.442 -10.372 490 HB3 ALA 64 2HB ALA 64 -5.834 -7.855 -11.949 491 H LYS 65 H LYS 65 -5.155 -7.011 -8.216 492 HA LYS 65 HA LYS 65 -5.714 -4.324 -7.578 493 HB2 LYS 65 2HB LYS 65 -5.481 -5.170 -5.140 494 HB3 LYS 65 1HB LYS 65 -6.762 -5.811 -6.150 495 HG2 LYS 65 2HG LYS 65 -5.814 -7.611 -4.904 496 HG3 LYS 65 1HG LYS 65 -5.356 -7.811 -6.592 497 HD2 LYS 65 2HD LYS 65 -3.464 -8.309 -5.173 498 HD3 LYS 65 1HD LYS 65 -3.144 -6.832 -6.081 499 HE2 LYS 65 2HE LYS 65 -3.712 -5.489 -4.129 500 HE3 LYS 65 1HE LYS 65 -4.109 -6.950 -3.222 501 HZ1 LYS 65 3HZ LYS 65 -1.437 -6.355 -4.355 502 HZ2 LYS 65 1HZ LYS 65 -1.851 -7.659 -3.367 503 HZ3 LYS 65 2HZ LYS 65 -1.875 -6.089 -2.745 504 H CYS 66 H CYS 66 -2.681 -5.959 -7.751 505 HA CYS 66 HA CYS 66 -1.254 -4.163 -6.013 506 HB2 CYS 66 2HB CYS 66 -0.305 -6.154 -8.082 507 HB3 CYS 66 1HB CYS 66 0.795 -5.164 -7.126 508 HG CYS 66 HG CYS 66 1.025 -7.049 -5.398 509 H GLN 67 H GLN 67 -1.790 -4.391 -9.511 510 HA GLN 67 HA GLN 67 -0.230 -2.080 -10.143 511 HB2 GLN 67 2HB GLN 67 -2.420 -3.463 -11.711 512 HB3 GLN 67 1HB GLN 67 -1.405 -2.173 -12.344 513 HG2 GLN 67 2HG GLN 67 0.584 -3.600 -11.949 514 HG3 GLN 67 1HG GLN 67 -0.494 -4.902 -11.445 515 HE21 GLN 67 1HE2 GLN 67 -1.751 -5.948 -12.995 516 HE22 GLN 67 2HE2 GLN 67 -1.432 -5.800 -14.686 517 H GLU 68 H GLU 68 -3.676 -2.631 -9.490 518 HA GLU 68 HA GLU 68 -4.626 -0.031 -9.968 519 HB2 GLU 68 2HB GLU 68 -6.062 -2.030 -9.539 520 HB3 GLU 68 1HB GLU 68 -5.589 -1.972 -7.848 521 HG2 GLU 68 2HG GLU 68 -7.730 -0.972 -8.007 522 HG3 GLU 68 1HG GLU 68 -6.575 0.332 -7.733 523 H PHE 69 H PHE 69 -3.493 -1.498 -6.911 524 HA PHE 69 HA PHE 69 -3.551 0.850 -5.359 525 HB2 PHE 69 2HB PHE 69 -3.341 -1.400 -4.379 526 HB3 PHE 69 1HB PHE 69 -1.729 -1.554 -5.070 527 HD1 PHE 69 HD2 PHE 69 -3.757 0.326 -2.611 528 HD2 PHE 69 HD1 PHE 69 0.166 -0.628 -3.980 529 HE1 PHE 69 HE2 PHE 69 -2.802 1.369 -0.599 530 HE2 PHE 69 HE1 PHE 69 1.122 0.411 -1.965 531 HZ PHE 69 HZ PHE 69 -0.361 1.410 -0.272 532 H GLY 70 H GLY 70 -1.013 -0.537 -7.413 533 HA2 GLY 70 2HA GLY 70 1.082 1.213 -6.827 534 HA3 GLY 70 1HA GLY 70 0.840 0.420 -8.375 535 H ARG 71 H ARG 71 -1.549 1.573 -9.187 536 HA ARG 71 HA ARG 71 -0.775 4.119 -10.159 537 HB2 ARG 71 2HB ARG 71 -2.396 2.664 -11.330 538 HB3 ARG 71 1HB ARG 71 -3.545 2.889 -10.016 539 HG2 ARG 71 2HG ARG 71 -3.507 5.344 -10.512 540 HG3 ARG 71 1HG ARG 71 -2.534 4.979 -11.937 541 HD2 ARG 71 2HD ARG 71 -4.348 3.556 -12.795 542 HD3 ARG 71 1HD ARG 71 -5.321 3.949 -11.375 543 HE ARG 71 HE ARG 71 -4.418 5.995 -13.297 544 HH11 ARG 71 1HH1 ARG 71 -6.891 4.592 -11.352 545 HH12 ARG 71 2HH1 ARG 71 -8.059 5.784 -11.801 546 HH21 ARG 71 1HH2 ARG 71 -5.906 7.518 -13.833 547 HH22 ARG 71 2HH2 ARG 71 -7.504 7.435 -13.175 548 H TRP 72 H TRP 72 -3.008 3.123 -7.573 549 HA TRP 72 HA TRP 72 -3.962 5.666 -6.882 550 HB2 TRP 72 2HB TRP 72 -5.051 3.636 -6.081 551 HB3 TRP 72 1HB TRP 72 -3.631 3.217 -5.125 552 HD1 TRP 72 HD TRP 72 -6.402 5.909 -5.266 553 HE1 TRP 72 HE1 TRP 72 -6.736 6.848 -2.896 554 HE3 TRP 72 HE3 TRP 72 -2.617 3.442 -2.864 555 HZ2 TRP 72 HZ2 TRP 72 -5.557 6.592 -0.354 556 HZ3 TRP 72 HZ3 TRP 72 -2.285 3.856 -0.460 557 HH2 TRP 72 HH TRP 72 -3.722 5.397 0.769 558 H TYR 73 H TYR 73 -1.419 3.782 -5.173 559 HA TYR 73 HA TYR 73 -0.741 5.829 -3.382 560 HB2 TYR 73 2HB TYR 73 -0.106 3.298 -3.351 561 HB3 TYR 73 1HB TYR 73 1.296 3.802 -4.290 562 HD1 TYR 73 HD2 TYR 73 -0.403 4.091 -1.034 563 HD2 TYR 73 HD1 TYR 73 3.114 5.031 -3.243 564 HE1 TYR 73 HE2 TYR 73 0.730 4.727 1.053 565 HE2 TYR 73 HE1 TYR 73 4.254 5.667 -1.161 566 HH TYR 73 HH TYR 73 3.564 6.483 1.148 567 H LYS 74 H LYS 74 0.454 5.124 -6.631 568 HA LYS 74 HA LYS 74 2.513 7.030 -6.774 569 HB2 LYS 74 2HB LYS 74 2.161 5.382 -8.546 570 HB3 LYS 74 1HB LYS 74 0.604 6.102 -8.937 571 HG2 LYS 74 2HG LYS 74 1.779 8.195 -9.580 572 HG3 LYS 74 1HG LYS 74 3.317 7.381 -9.291 573 HD2 LYS 74 2HD LYS 74 1.221 6.513 -11.291 574 HD3 LYS 74 1HD LYS 74 2.690 7.408 -11.678 575 HE2 LYS 74 2HE LYS 74 4.044 5.530 -10.841 576 HE3 LYS 74 1HE LYS 74 2.568 4.638 -10.471 577 HZ1 LYS 74 3HZ LYS 74 3.390 5.540 -13.180 578 HZ2 LYS 74 1HZ LYS 74 2.012 4.631 -12.809 579 HZ3 LYS 74 2HZ LYS 74 3.551 3.965 -12.586 580 H HIS 75 H HIS 75 -0.940 7.355 -7.630 581 HA HIS 75 HA HIS 75 -0.839 10.137 -8.200 582 HB2 HIS 75 2HB HIS 75 -2.607 8.709 -9.093 583 HB3 HIS 75 1HB HIS 75 -3.183 8.360 -7.468 584 HD1 HIS 75 HD1 HIS 75 -5.071 9.779 -6.707 585 HD2 HIS 75 HD2 HIS 75 -2.863 11.630 -9.700 586 HE1 HIS 75 HE1 HIS 75 -6.298 11.900 -7.234 587 HE2 HIS 75 HE2 HIS 75 -4.818 13.102 -8.867 588 H PHE 76 H PHE 76 -1.325 8.323 -5.268 589 HA PHE 76 HA PHE 76 -2.530 10.261 -3.636 590 HB2 PHE 76 2HB PHE 76 -2.397 7.852 -3.095 591 HB3 PHE 76 1HB PHE 76 -0.659 7.996 -2.869 592 HD1 PHE 76 HD1 PHE 76 -3.924 9.173 -1.546 593 HD2 PHE 76 HD2 PHE 76 0.224 8.575 -0.777 594 HE1 PHE 76 HE1 PHE 76 -4.294 9.683 0.827 595 HE2 PHE 76 HE2 PHE 76 -0.145 9.088 1.601 596 HZ PHE 76 HZ PHE 76 -2.404 9.640 2.404 597 H LYS 77 H LYS 77 0.915 9.392 -3.979 598 HA LYS 77 HA LYS 77 1.754 11.795 -2.546 599 HB2 LYS 77 2HB LYS 77 3.324 9.536 -3.816 600 HB3 LYS 77 1HB LYS 77 4.070 10.903 -2.999 601 HG2 LYS 77 2HG LYS 77 3.022 10.272 -0.911 602 HG3 LYS 77 1HG LYS 77 2.159 8.959 -1.709 603 HD2 LYS 77 2HD LYS 77 4.116 8.138 -0.474 604 HD3 LYS 77 1HD LYS 77 4.265 7.838 -2.203 605 HE2 LYS 77 2HE LYS 77 5.469 10.330 -1.068 606 HE3 LYS 77 1HE LYS 77 6.286 8.796 -0.790 607 HZ1 LYS 77 3HZ LYS 77 7.126 9.887 -2.764 608 HZ2 LYS 77 1HZ LYS 77 5.585 9.914 -3.454 609 HZ3 LYS 77 2HZ LYS 77 6.360 8.439 -3.181 610 H LYS 78 H LYS 78 1.235 10.778 -5.771 611 HA LYS 78 HA LYS 78 1.680 11.553 -7.832 612 HB2 LYS 78 2HB LYS 78 2.223 14.155 -6.394 613 HB3 LYS 78 1HB LYS 78 2.154 13.988 -8.142 614 HG2 LYS 78 2HG LYS 78 -0.224 12.940 -7.585 615 HG3 LYS 78 1HG LYS 78 -0.044 13.926 -6.133 616 HD2 LYS 78 2HD LYS 78 -1.225 15.196 -7.815 617 HD3 LYS 78 1HD LYS 78 0.377 15.903 -7.579 618 HE2 LYS 78 2HE LYS 78 1.181 14.681 -9.572 619 HE3 LYS 78 1HE LYS 78 -0.442 14.039 -9.816 620 HZ1 LYS 78 3HZ LYS 78 -0.004 15.942 -11.229 621 HZ2 LYS 78 1HZ LYS 78 0.299 16.912 -9.880 622 HZ3 LYS 78 2HZ LYS 78 -1.250 16.285 -10.144 623 H THR 79 H THR 79 4.163 13.218 -5.856 624 HA THR 79 HA THR 79 6.434 13.055 -5.803 625 HB THR 79 HB THR 79 6.195 10.611 -7.584 626 HG1 THR 79 HG1 THR 79 5.037 10.094 -5.799 627 HG21 THR 79 3HG2 THR 79 8.469 11.497 -7.438 628 HG22 THR 79 1HG2 THR 79 8.347 9.972 -6.560 629 HG23 THR 79 2HG2 THR 79 8.374 11.497 -5.676 630 H LYS 80 H LYS 80 5.718 11.833 -9.088 631 HA LYS 80 HA LYS 80 6.550 14.400 -10.219 632 HB2 LYS 80 2HB LYS 80 7.775 11.734 -10.935 633 HB3 LYS 80 1HB LYS 80 7.819 13.109 -12.030 634 HG2 LYS 80 2HG LYS 80 8.963 14.402 -10.195 635 HG3 LYS 80 1HG LYS 80 9.099 12.878 -9.313 636 HD2 LYS 80 2HD LYS 80 10.398 11.906 -11.119 637 HD3 LYS 80 1HD LYS 80 10.179 13.358 -12.099 638 HE2 LYS 80 2HE LYS 80 11.391 14.647 -10.351 639 HE3 LYS 80 1HE LYS 80 11.698 13.133 -9.500 640 HZ1 LYS 80 3HZ LYS 80 13.582 13.767 -10.858 641 HZ2 LYS 80 1HZ LYS 80 12.618 13.799 -12.247 642 HZ3 LYS 80 2HZ LYS 80 12.899 12.336 -11.451 643 H ASP 81 H ASP 81 4.619 14.958 -11.105 644 HA ASP 81 HA ASP 81 2.788 13.319 -12.421 645 HB2 ASP 81 2HB ASP 81 2.568 15.802 -11.774 646 HB3 ASP 81 1HB ASP 81 3.415 16.157 -13.274 647 H MET 82 H MET 82 5.545 15.137 -13.724 648 HA MET 82 HA MET 82 5.835 13.110 -15.836 649 HB2 MET 82 2HB MET 82 6.055 16.109 -16.225 650 HB3 MET 82 1HB MET 82 6.521 14.909 -17.422 651 HG2 MET 82 2HG MET 82 4.217 14.127 -17.558 652 HG3 MET 82 1HG MET 82 3.739 15.296 -16.328 653 HE1 MET 82 3HE MET 82 5.226 14.840 -19.938 654 HE2 MET 82 1HE MET 82 6.377 15.939 -19.181 655 HE3 MET 82 2HE MET 82 5.342 16.514 -20.486 656 H MET 83 H MET 83 8.145 13.600 -16.948 657 HA MET 83 HA MET 83 10.072 13.654 -14.731 658 HB2 MET 83 2HB MET 83 10.375 12.766 -17.614 659 HB3 MET 83 1HB MET 83 11.670 12.733 -16.421 660 HG2 MET 83 2HG MET 83 10.364 11.177 -15.054 661 HG3 MET 83 1HG MET 83 9.080 11.203 -16.263 662 HE1 MET 83 3HE MET 83 9.169 8.521 -16.378 663 HE2 MET 83 1HE MET 83 10.445 8.541 -15.160 664 HE3 MET 83 2HE MET 83 10.660 7.620 -16.649 Start of MODEL 8 1 H1 MET 1 1H MET 1 17.258 -1.523 8.943 2 H2 MET 1 2H MET 1 18.214 -2.456 9.980 3 H3 MET 1 3H MET 1 16.697 -3.025 9.490 4 HA MET 1 HA MET 1 17.441 -3.194 7.214 5 HB2 MET 1 2HB MET 1 19.052 -1.334 7.299 6 HB3 MET 1 1HB MET 1 20.099 -2.281 8.347 7 HG2 MET 1 2HG MET 1 20.416 -3.913 6.547 8 HG3 MET 1 1HG MET 1 19.383 -2.945 5.495 9 HE1 MET 1 3HE MET 1 20.260 0.013 6.363 10 HE2 MET 1 1HE MET 1 20.040 -0.455 4.677 11 HE3 MET 1 2HE MET 1 21.522 0.360 5.180 12 H GLY 2 H GLY 2 17.166 -5.365 7.199 13 HA2 GLY 2 2HA GLY 2 19.040 -7.013 8.805 14 HA3 GLY 2 1HA GLY 2 17.329 -7.380 8.687 15 H HIS 3 H HIS 3 16.674 -7.382 6.132 16 HA HIS 3 HA HIS 3 18.012 -9.737 5.190 17 HB2 HIS 3 2HB HIS 3 16.357 -9.601 3.278 18 HB3 HIS 3 1HB HIS 3 15.664 -9.726 4.886 19 HD1 HIS 3 HD1 HIS 3 13.541 -8.463 4.813 20 HD2 HIS 3 HD2 HIS 3 16.590 -6.416 2.862 21 HE1 HIS 3 HE1 HIS 3 12.538 -6.278 4.089 22 HE2 HIS 3 HE2 HIS 3 14.423 -5.015 3.008 23 H HIS 4 H HIS 4 20.177 -8.700 4.907 24 HA HIS 4 HA HIS 4 20.496 -6.907 2.686 25 HB2 HIS 4 2HB HIS 4 22.976 -7.323 3.005 26 HB3 HIS 4 1HB HIS 4 22.123 -6.626 4.371 27 HD1 HIS 4 HD1 HIS 4 24.201 -9.498 3.371 28 HD2 HIS 4 HD2 HIS 4 21.796 -8.436 6.594 29 HE1 HIS 4 HE1 HIS 4 24.842 -11.051 5.235 30 HE2 HIS 4 HE2 HIS 4 23.299 -10.471 7.129 31 H HIS 5 H HIS 5 19.204 -8.360 1.292 32 HA HIS 5 HA HIS 5 21.023 -9.863 -0.458 33 HB2 HIS 5 2HB HIS 5 18.330 -10.828 0.541 34 HB3 HIS 5 1HB HIS 5 19.059 -11.452 -0.933 35 HD1 HIS 5 HD1 HIS 5 21.005 -13.092 -0.689 36 HD2 HIS 5 HD2 HIS 5 19.562 -11.675 2.940 37 HE1 HIS 5 HE1 HIS 5 22.029 -14.562 1.061 38 HE2 HIS 5 HE2 HIS 5 21.237 -13.617 3.250 39 H HIS 6 H HIS 6 20.605 -9.558 -2.650 40 HA HIS 6 HA HIS 6 18.798 -7.309 -3.206 41 HB2 HIS 6 2HB HIS 6 20.993 -8.392 -4.987 42 HB3 HIS 6 1HB HIS 6 20.170 -6.841 -5.122 43 HD1 HIS 6 HD1 HIS 6 20.853 -4.985 -3.416 44 HD2 HIS 6 HD2 HIS 6 23.091 -8.476 -3.141 45 HE1 HIS 6 HE1 HIS 6 22.832 -4.404 -1.995 46 HE2 HIS 6 HE2 HIS 6 24.092 -6.562 -1.715 47 H HIS 7 H HIS 7 16.873 -8.691 -3.271 48 HA HIS 7 HA HIS 7 16.510 -9.810 -5.978 49 HB2 HIS 7 2HB HIS 7 15.723 -11.102 -3.368 50 HB3 HIS 7 1HB HIS 7 14.930 -11.521 -4.883 51 HD1 HIS 7 HD1 HIS 7 16.158 -13.045 -6.468 52 HD2 HIS 7 HD2 HIS 7 18.479 -11.882 -3.229 53 HE1 HIS 7 HE1 HIS 7 18.213 -14.475 -6.572 54 HE2 HIS 7 HE2 HIS 7 19.676 -13.633 -4.709 55 H HIS 8 H HIS 8 15.723 -7.302 -4.331 56 HA HIS 8 HA HIS 8 13.409 -6.784 -5.851 57 HB2 HIS 8 2HB HIS 8 11.737 -6.450 -4.086 58 HB3 HIS 8 1HB HIS 8 12.258 -8.126 -4.152 59 HD1 HIS 8 HD1 HIS 8 13.144 -9.129 -2.026 60 HD2 HIS 8 HD2 HIS 8 12.756 -4.997 -1.799 61 HE1 HIS 8 HE1 HIS 8 13.519 -8.545 0.388 62 HE2 HIS 8 HE2 HIS 8 13.108 -6.069 0.523 63 H SER 9 H SER 9 13.387 -4.679 -6.279 64 HA SER 9 HA SER 9 13.988 -2.648 -4.338 65 HB2 SER 9 2HB SER 9 15.944 -1.691 -5.513 66 HB3 SER 9 1HB SER 9 16.287 -3.311 -4.909 67 HG SER 9 HG SER 9 16.318 -4.086 -6.915 68 H HIS 10 H HIS 10 14.141 -0.408 -5.582 69 HA HIS 10 HA HIS 10 13.066 1.141 -6.864 70 HB2 HIS 10 2HB HIS 10 13.061 -1.165 -8.826 71 HB3 HIS 10 1HB HIS 10 12.518 0.457 -9.241 72 HD1 HIS 10 HD1 HIS 10 14.253 1.983 -10.112 73 HD2 HIS 10 HD2 HIS 10 15.914 -1.175 -7.981 74 HE1 HIS 10 HE1 HIS 10 16.734 2.224 -10.384 75 HE2 HIS 10 HE2 HIS 10 17.720 0.408 -8.953 76 H MET 11 H MET 11 11.467 -0.866 -5.174 77 HA MET 11 HA MET 11 8.869 -0.812 -6.517 78 HB2 MET 11 2HB MET 11 8.099 -2.263 -4.716 79 HB3 MET 11 1HB MET 11 9.575 -2.898 -5.427 80 HG2 MET 11 2HG MET 11 10.862 -1.977 -3.545 81 HG3 MET 11 1HG MET 11 9.360 -1.391 -2.826 82 HE1 MET 11 3HE MET 11 9.793 -2.657 -0.545 83 HE2 MET 11 1HE MET 11 11.355 -3.164 -1.188 84 HE3 MET 11 2HE MET 11 10.278 -4.350 -0.450 85 H LEU 12 H LEU 12 10.515 1.371 -4.781 86 HA LEU 12 HA LEU 12 8.258 2.355 -3.203 87 HB2 LEU 12 2HB LEU 12 11.094 3.385 -3.436 88 HB3 LEU 12 1HB LEU 12 9.855 4.115 -2.436 89 HG LEU 12 HG LEU 12 9.714 1.923 -1.175 90 HD11 LEU 12 1HD1 LEU 12 12.258 1.322 -2.685 91 HD12 LEU 12 2HD1 LEU 12 10.728 0.458 -2.834 92 HD13 LEU 12 3HD1 LEU 12 11.624 0.403 -1.318 93 HD21 LEU 12 3HD2 LEU 12 11.717 2.368 0.157 94 HD22 LEU 12 1HD2 LEU 12 10.876 3.859 -0.270 95 HD23 LEU 12 2HD2 LEU 12 12.347 3.399 -1.129 96 HA PRO 13 HA PRO 13 8.713 5.807 -6.647 97 HB2 PRO 13 2HB PRO 13 10.213 4.345 -8.743 98 HB3 PRO 13 1HB PRO 13 10.419 6.003 -8.169 99 HG2 PRO 13 2HG PRO 13 12.216 4.114 -7.589 100 HG3 PRO 13 1HG PRO 13 11.780 5.359 -6.402 101 HD2 PRO 13 2HD PRO 13 10.826 2.516 -6.596 102 HD3 PRO 13 1HD PRO 13 11.376 3.419 -5.167 103 HA PRO 14 HA PRO 14 5.432 3.950 -9.039 104 HB2 PRO 14 2HB PRO 14 5.304 5.324 -11.357 105 HB3 PRO 14 1HB PRO 14 4.942 6.082 -9.799 106 HG2 PRO 14 2HG PRO 14 7.479 6.174 -11.404 107 HG3 PRO 14 1HG PRO 14 6.617 7.504 -10.607 108 HD2 PRO 14 2HD PRO 14 8.780 6.286 -9.501 109 HD3 PRO 14 1HD PRO 14 7.470 6.981 -8.526 110 H GLU 15 H GLU 15 8.184 2.708 -9.502 111 HA GLU 15 HA GLU 15 8.227 1.993 -12.302 112 HB2 GLU 15 2HB GLU 15 9.942 1.052 -9.991 113 HB3 GLU 15 1HB GLU 15 10.223 0.656 -11.685 114 HG2 GLU 15 2HG GLU 15 10.565 3.012 -12.199 115 HG3 GLU 15 1HG GLU 15 10.233 3.445 -10.523 116 H GLN 16 H GLN 16 8.555 -0.296 -9.572 117 HA GLN 16 HA GLN 16 6.441 -1.943 -10.793 118 HB2 GLN 16 2HB GLN 16 9.199 -2.932 -10.033 119 HB3 GLN 16 1HB GLN 16 7.843 -3.980 -10.429 120 HG2 GLN 16 2HG GLN 16 7.747 -2.830 -12.671 121 HG3 GLN 16 1HG GLN 16 9.275 -2.057 -12.249 122 HE21 GLN 16 1HE2 GLN 16 7.699 -5.046 -13.025 123 HE22 GLN 16 2HE2 GLN 16 9.132 -5.958 -13.329 124 H TRP 17 H TRP 17 4.952 -2.378 -9.330 125 HA TRP 17 HA TRP 17 5.740 -2.784 -6.516 126 HB2 TRP 17 2HB TRP 17 3.154 -1.784 -7.730 127 HB3 TRP 17 1HB TRP 17 3.278 -2.293 -6.048 128 HD1 TRP 17 HD TRP 17 5.064 0.255 -8.394 129 HE1 TRP 17 HE1 TRP 17 5.646 2.335 -6.991 130 HE3 TRP 17 HE3 TRP 17 3.355 -1.328 -3.841 131 HZ2 TRP 17 HZ2 TRP 17 5.389 3.199 -4.315 132 HZ3 TRP 17 HZ3 TRP 17 3.559 0.185 -1.914 133 HH2 TRP 17 HH TRP 17 4.555 2.401 -2.149 134 H SER 18 H SER 18 5.652 -4.818 -5.790 135 HA SER 18 HA SER 18 4.178 -6.818 -7.377 136 HB2 SER 18 2HB SER 18 6.564 -7.254 -7.191 137 HB3 SER 18 1HB SER 18 6.478 -7.154 -5.432 138 HG SER 18 HG SER 18 6.306 -9.313 -6.767 139 H HIS 19 H HIS 19 3.460 -8.782 -6.093 140 HA HIS 19 HA HIS 19 1.398 -8.205 -4.331 141 HB2 HIS 19 2HB HIS 19 3.000 -10.765 -4.597 142 HB3 HIS 19 1HB HIS 19 1.500 -10.633 -3.686 143 HD1 HIS 19 HD1 HIS 19 2.826 -10.746 -7.187 144 HD2 HIS 19 HD2 HIS 19 -0.829 -10.534 -5.225 145 HE1 HIS 19 HE1 HIS 19 1.095 -11.205 -8.937 146 HE2 HIS 19 HE2 HIS 19 -1.064 -11.338 -7.668 147 H THR 20 H THR 20 4.643 -9.432 -3.495 148 HA THR 20 HA THR 20 4.357 -9.450 -0.707 149 HB THR 20 HB THR 20 6.922 -8.923 -2.241 150 HG1 THR 20 HG1 THR 20 7.110 -11.141 -2.383 151 HG21 THR 20 3HG2 THR 20 7.113 -8.541 0.183 152 HG22 THR 20 1HG2 THR 20 8.019 -9.972 -0.311 153 HG23 THR 20 2HG2 THR 20 6.455 -10.150 0.487 154 H THR 21 H THR 21 5.493 -6.892 -2.873 155 HA THR 21 HA THR 21 6.342 -4.990 -1.031 156 HB THR 21 HB THR 21 4.914 -4.395 -3.642 157 HG1 THR 21 HG1 THR 21 7.714 -4.474 -3.452 158 HG21 THR 21 3HG2 THR 21 6.970 -2.799 -2.100 159 HG22 THR 21 1HG2 THR 21 5.250 -2.425 -2.205 160 HG23 THR 21 2HG2 THR 21 6.260 -2.349 -3.650 161 H VAL 22 H VAL 22 3.125 -5.161 -2.591 162 HA VAL 22 HA VAL 22 1.929 -3.125 -1.044 163 HB VAL 22 HB VAL 22 0.580 -5.448 -2.447 164 HG11 VAL 22 1HG1 VAL 22 -1.395 -3.974 -2.538 165 HG12 VAL 22 2HG1 VAL 22 -0.539 -2.787 -1.552 166 HG13 VAL 22 3HG1 VAL 22 -0.935 -4.370 -0.881 167 HG21 VAL 22 3HG2 VAL 22 1.246 -2.682 -3.460 168 HG22 VAL 22 1HG2 VAL 22 0.293 -3.888 -4.326 169 HG23 VAL 22 2HG2 VAL 22 1.996 -4.193 -3.975 170 H ARG 23 H ARG 23 1.981 -6.650 -0.650 171 HA ARG 23 HA ARG 23 0.134 -6.925 1.417 172 HB2 ARG 23 2HB ARG 23 1.392 -8.702 -0.010 173 HB3 ARG 23 1HB ARG 23 2.609 -8.637 1.250 174 HG2 ARG 23 2HG ARG 23 -0.280 -9.210 1.856 175 HG3 ARG 23 1HG ARG 23 0.848 -10.477 1.383 176 HD2 ARG 23 2HD ARG 23 2.275 -9.899 3.305 177 HD3 ARG 23 1HD ARG 23 1.117 -8.656 3.779 178 HE ARG 23 HE ARG 23 -0.514 -10.552 4.004 179 HH11 ARG 23 1HH1 ARG 23 2.876 -11.114 4.314 180 HH12 ARG 23 2HH1 ARG 23 2.650 -12.451 5.388 181 HH21 ARG 23 1HH2 ARG 23 -0.783 -12.274 5.337 182 HH22 ARG 23 2HH2 ARG 23 0.602 -13.108 5.952 183 H ASN 24 H ASN 24 3.613 -6.229 1.596 184 HA ASN 24 HA ASN 24 3.568 -6.139 4.497 185 HB2 ASN 24 2HB ASN 24 5.782 -5.473 2.541 186 HB3 ASN 24 1HB ASN 24 5.964 -5.536 4.292 187 HD21 ASN 24 1HD2 ASN 24 7.381 -7.119 2.376 188 HD22 ASN 24 2HD2 ASN 24 6.985 -8.768 2.692 189 H ALA 25 H ALA 25 3.470 -3.835 1.843 190 HA ALA 25 HA ALA 25 4.083 -1.481 3.257 191 HB1 ALA 25 3HB ALA 25 2.267 -1.825 0.869 192 HB2 ALA 25 1HB ALA 25 4.012 -1.571 0.821 193 HB3 ALA 25 2HB ALA 25 2.953 -0.299 1.429 194 H LEU 26 H LEU 26 1.016 -3.187 2.795 195 HA LEU 26 HA LEU 26 -0.702 -1.270 3.917 196 HB2 LEU 26 2HB LEU 26 -0.951 -4.282 3.836 197 HB3 LEU 26 1HB LEU 26 -2.254 -3.193 4.282 198 HG LEU 26 HG LEU 26 -0.887 -3.227 1.581 199 HD11 LEU 26 1HD1 LEU 26 -3.590 -4.302 2.386 200 HD12 LEU 26 2HD1 LEU 26 -2.180 -5.263 1.940 201 HD13 LEU 26 3HD1 LEU 26 -2.953 -4.223 0.744 202 HD21 LEU 26 3HD2 LEU 26 -3.299 -1.708 2.583 203 HD22 LEU 26 1HD2 LEU 26 -2.771 -1.778 0.901 204 HD23 LEU 26 2HD2 LEU 26 -1.739 -1.028 2.118 205 H LYS 27 H LYS 27 1.468 -3.524 5.469 206 HA LYS 27 HA LYS 27 0.395 -3.653 8.050 207 HB2 LYS 27 2HB LYS 27 3.263 -3.641 7.097 208 HB3 LYS 27 1HB LYS 27 2.835 -3.880 8.783 209 HG2 LYS 27 2HG LYS 27 1.902 -5.645 6.521 210 HG3 LYS 27 1HG LYS 27 3.306 -5.974 7.540 211 HD2 LYS 27 2HD LYS 27 1.749 -5.868 9.526 212 HD3 LYS 27 1HD LYS 27 0.411 -5.822 8.376 213 HE2 LYS 27 2HE LYS 27 0.726 -8.091 9.119 214 HE3 LYS 27 1HE LYS 27 1.213 -7.975 7.429 215 HZ1 LYS 27 3HZ LYS 27 3.051 -7.970 9.764 216 HZ2 LYS 27 1HZ LYS 27 3.524 -7.858 8.144 217 HZ3 LYS 27 2HZ LYS 27 2.789 -9.266 8.719 218 H ASP 28 H ASP 28 2.654 -1.269 6.683 219 HA ASP 28 HA ASP 28 2.830 0.217 9.142 220 HB2 ASP 28 2HB ASP 28 4.669 -0.091 7.389 221 HB3 ASP 28 1HB ASP 28 3.804 1.097 6.421 222 H LEU 29 H LEU 29 0.858 0.340 6.298 223 HA LEU 29 HA LEU 29 0.068 3.111 6.607 224 HB2 LEU 29 2HB LEU 29 0.292 1.803 4.416 225 HB3 LEU 29 1HB LEU 29 -1.226 1.039 4.830 226 HG LEU 29 HG LEU 29 -1.433 2.908 3.192 227 HD11 LEU 29 1HD1 LEU 29 -3.361 2.262 4.552 228 HD12 LEU 29 2HD1 LEU 29 -3.359 3.992 4.208 229 HD13 LEU 29 3HD1 LEU 29 -2.869 3.409 5.798 230 HD21 LEU 29 3HD2 LEU 29 -1.213 5.215 3.956 231 HD22 LEU 29 1HD2 LEU 29 0.324 4.354 4.066 232 HD23 LEU 29 2HD2 LEU 29 -0.628 4.650 5.521 233 H LEU 30 H LEU 30 -1.638 -0.034 6.876 234 HA LEU 30 HA LEU 30 -4.100 1.141 7.700 235 HB2 LEU 30 2HB LEU 30 -3.853 -1.062 6.552 236 HB3 LEU 30 1HB LEU 30 -3.179 -1.719 8.031 237 HG LEU 30 HG LEU 30 -5.327 -1.259 9.188 238 HD11 LEU 30 1HD1 LEU 30 -6.103 0.601 7.819 239 HD12 LEU 30 2HD1 LEU 30 -7.308 -0.685 7.882 240 HD13 LEU 30 3HD1 LEU 30 -6.310 -0.483 6.442 241 HD21 LEU 30 3HD2 LEU 30 -4.884 -3.466 8.231 242 HD22 LEU 30 1HD2 LEU 30 -5.584 -2.947 6.698 243 HD23 LEU 30 2HD2 LEU 30 -6.597 -3.062 8.137 244 H LYS 31 H LYS 31 -1.250 0.625 9.410 245 HA LYS 31 HA LYS 31 -1.928 -0.319 11.899 246 HB2 LYS 31 2HB LYS 31 0.368 0.146 11.191 247 HB3 LYS 31 1HB LYS 31 0.046 1.876 11.225 248 HG2 LYS 31 2HG LYS 31 -0.242 1.814 13.628 249 HG3 LYS 31 1HG LYS 31 -0.061 0.058 13.633 250 HD2 LYS 31 2HD LYS 31 2.019 1.066 14.333 251 HD3 LYS 31 1HD LYS 31 2.241 0.332 12.745 252 HE2 LYS 31 2HE LYS 31 3.338 2.470 12.773 253 HE3 LYS 31 1HE LYS 31 1.929 2.578 11.722 254 HZ1 LYS 31 3HZ LYS 31 2.145 4.508 13.162 255 HZ2 LYS 31 1HZ LYS 31 2.052 3.525 14.532 256 HZ3 LYS 31 2HZ LYS 31 0.720 3.666 13.497 257 H ASP 32 H ASP 32 -2.313 3.019 10.724 258 HA ASP 32 HA ASP 32 -3.648 3.698 13.279 259 HB2 ASP 32 2HB ASP 32 -2.349 5.683 11.410 260 HB3 ASP 32 1HB ASP 32 -2.835 5.923 13.087 261 H MET 33 H MET 33 -4.726 2.679 10.555 262 HA MET 33 HA MET 33 -6.619 4.898 10.053 263 HB2 MET 33 2HB MET 33 -4.977 4.791 8.250 264 HB3 MET 33 1HB MET 33 -5.333 3.089 7.993 265 HG2 MET 33 2HG MET 33 -6.388 4.511 6.314 266 HG3 MET 33 1HG MET 33 -7.579 3.633 7.272 267 HE1 MET 33 3HE MET 33 -6.655 8.135 7.731 268 HE2 MET 33 1HE MET 33 -5.877 7.073 6.559 269 HE3 MET 33 2HE MET 33 -5.531 6.890 8.279 270 H ASN 34 H ASN 34 -8.740 4.417 9.813 271 HA ASN 34 HA ASN 34 -9.614 1.668 10.281 272 HB2 ASN 34 2HB ASN 34 -11.200 4.246 10.068 273 HB3 ASN 34 1HB ASN 34 -11.868 2.676 10.508 274 HD21 ASN 34 1HD2 ASN 34 -11.703 5.226 11.979 275 HD22 ASN 34 2HD2 ASN 34 -10.933 4.840 13.475 276 H GLN 35 H GLN 35 -10.597 0.379 8.761 277 HA GLN 35 HA GLN 35 -10.020 0.871 6.060 278 HB2 GLN 35 2HB GLN 35 -11.974 -1.129 7.209 279 HB3 GLN 35 1HB GLN 35 -11.303 -1.164 5.582 280 HG2 GLN 35 2HG GLN 35 -9.034 -1.365 6.595 281 HG3 GLN 35 1HG GLN 35 -9.804 -1.513 8.173 282 HE21 GLN 35 1HE2 GLN 35 -9.184 -3.047 5.134 283 HE22 GLN 35 2HE2 GLN 35 -9.696 -4.629 5.602 284 H SER 36 H SER 36 -13.066 1.317 7.835 285 HA SER 36 HA SER 36 -14.733 1.858 5.642 286 HB2 SER 36 2HB SER 36 -14.835 2.876 8.488 287 HB3 SER 36 1HB SER 36 -16.097 3.217 7.304 288 HG SER 36 HG SER 36 -15.990 1.147 8.827 289 H SER 37 H SER 37 -12.386 3.899 7.260 290 HA SER 37 HA SER 37 -13.166 6.276 5.781 291 HB2 SER 37 2HB SER 37 -12.264 6.521 8.057 292 HB3 SER 37 1HB SER 37 -10.754 5.763 7.551 293 HG SER 37 HG SER 37 -10.329 7.871 7.369 294 H LEU 38 H LEU 38 -10.449 3.988 5.796 295 HA LEU 38 HA LEU 38 -8.915 5.130 3.758 296 HB2 LEU 38 2HB LEU 38 -8.154 3.354 5.314 297 HB3 LEU 38 1HB LEU 38 -9.170 2.202 4.465 298 HG LEU 38 HG LEU 38 -7.819 2.539 2.417 299 HD11 LEU 38 1HD1 LEU 38 -6.100 4.294 4.178 300 HD12 LEU 38 2HD1 LEU 38 -7.079 4.828 2.809 301 HD13 LEU 38 3HD1 LEU 38 -5.697 3.765 2.543 302 HD21 LEU 38 3HD2 LEU 38 -6.218 1.779 4.867 303 HD22 LEU 38 1HD2 LEU 38 -5.787 1.391 3.200 304 HD23 LEU 38 2HD2 LEU 38 -7.245 0.707 3.915 305 H ALA 39 H ALA 39 -11.734 3.040 3.574 306 HA ALA 39 HA ALA 39 -11.613 2.226 0.906 307 HB1 ALA 39 3HB ALA 39 -14.034 1.925 1.051 308 HB2 ALA 39 1HB ALA 39 -14.076 2.903 2.519 309 HB3 ALA 39 2HB ALA 39 -13.239 1.351 2.518 310 H LYS 40 H LYS 40 -12.467 5.335 2.273 311 HA LYS 40 HA LYS 40 -13.582 6.429 -0.140 312 HB2 LYS 40 2HB LYS 40 -12.478 7.851 2.299 313 HB3 LYS 40 1HB LYS 40 -13.436 8.594 1.026 314 HG2 LYS 40 2HG LYS 40 -15.336 7.161 1.620 315 HG3 LYS 40 1HG LYS 40 -14.374 6.434 2.909 316 HD2 LYS 40 2HD LYS 40 -15.119 9.357 2.695 317 HD3 LYS 40 1HD LYS 40 -15.880 8.180 3.767 318 HE2 LYS 40 2HE LYS 40 -13.814 7.885 4.986 319 HE3 LYS 40 1HE LYS 40 -12.947 8.909 3.842 320 HZ1 LYS 40 3HZ LYS 40 -14.302 10.779 4.545 321 HZ2 LYS 40 1HZ LYS 40 -13.491 10.102 5.864 322 HZ3 LYS 40 2HZ LYS 40 -15.139 9.802 5.638 323 H GLU 41 H GLU 41 -10.401 6.061 1.180 324 HA GLU 41 HA GLU 41 -9.158 7.977 -0.621 325 HB2 GLU 41 2HB GLU 41 -7.880 5.994 1.284 326 HB3 GLU 41 1HB GLU 41 -7.064 7.322 0.471 327 HG2 GLU 41 2HG GLU 41 -9.284 7.639 2.487 328 HG3 GLU 41 1HG GLU 41 -7.565 7.765 2.849 329 H CYS 42 H CYS 42 -8.404 4.540 0.037 330 HA CYS 42 HA CYS 42 -7.405 4.248 -2.695 331 HB2 CYS 42 2HB CYS 42 -6.453 2.139 -1.929 332 HB3 CYS 42 1HB CYS 42 -6.044 3.424 -0.794 333 HG CYS 42 HG CYS 42 -8.849 2.000 0.159 334 HA PRO 43 HA PRO 43 -11.114 2.164 -4.041 335 HB2 PRO 43 2HB PRO 43 -9.619 1.142 -6.331 336 HB3 PRO 43 1HB PRO 43 -10.872 2.381 -6.287 337 HG2 PRO 43 2HG PRO 43 -8.271 2.944 -6.825 338 HG3 PRO 43 1HG PRO 43 -9.358 4.093 -6.021 339 HD2 PRO 43 2HD PRO 43 -7.290 2.280 -4.813 340 HD3 PRO 43 1HD PRO 43 -7.648 3.982 -4.445 341 H LEU 44 H LEU 44 -8.744 0.584 -2.547 342 HA LEU 44 HA LEU 44 -9.199 -2.097 -3.559 343 HB2 LEU 44 2HB LEU 44 -7.535 -1.039 -1.276 344 HB3 LEU 44 1HB LEU 44 -7.717 -2.751 -1.600 345 HG LEU 44 HG LEU 44 -6.751 -2.335 -3.894 346 HD11 LEU 44 1HD1 LEU 44 -6.079 0.365 -2.719 347 HD12 LEU 44 2HD1 LEU 44 -7.173 0.058 -4.068 348 HD13 LEU 44 3HD1 LEU 44 -5.451 -0.284 -4.233 349 HD21 LEU 44 3HD2 LEU 44 -5.017 -1.683 -1.510 350 HD22 LEU 44 1HD2 LEU 44 -4.438 -2.214 -3.089 351 HD23 LEU 44 2HD2 LEU 44 -5.419 -3.296 -2.101 352 H SER 45 H SER 45 -10.442 -3.656 -2.653 353 HA SER 45 HA SER 45 -12.543 -2.827 -0.889 354 HB2 SER 45 2HB SER 45 -11.884 -5.578 -1.983 355 HB3 SER 45 1HB SER 45 -13.371 -5.156 -1.131 356 HG SER 45 HG SER 45 -13.275 -3.377 -2.960 357 H GLN 46 H GLN 46 -13.080 -3.629 1.159 358 HA GLN 46 HA GLN 46 -11.161 -3.561 3.105 359 HB2 GLN 46 2HB GLN 46 -13.588 -3.374 3.508 360 HB3 GLN 46 1HB GLN 46 -13.765 -5.101 3.228 361 HG2 GLN 46 2HG GLN 46 -11.965 -5.224 5.178 362 HG3 GLN 46 1HG GLN 46 -12.658 -3.654 5.575 363 HE21 GLN 46 1HE2 GLN 46 -14.413 -6.343 4.151 364 HE22 GLN 46 2HE2 GLN 46 -15.423 -6.638 5.519 365 H SER 47 H SER 47 -12.729 -6.597 2.033 366 HA SER 47 HA SER 47 -11.153 -8.324 3.587 367 HB2 SER 47 2HB SER 47 -13.268 -9.056 2.607 368 HB3 SER 47 1HB SER 47 -12.595 -8.906 0.984 369 HG SER 47 HG SER 47 -11.956 -10.882 1.229 370 H MET 48 H MET 48 -10.684 -7.138 0.294 371 HA MET 48 HA MET 48 -8.494 -8.812 -0.363 372 HB2 MET 48 2HB MET 48 -9.312 -6.128 -1.487 373 HB3 MET 48 1HB MET 48 -8.102 -7.184 -2.200 374 HG2 MET 48 2HG MET 48 -9.797 -8.914 -2.533 375 HG3 MET 48 1HG MET 48 -11.015 -7.856 -1.818 376 HE1 MET 48 3HE MET 48 -11.982 -7.926 -5.620 377 HE2 MET 48 1HE MET 48 -12.550 -8.185 -3.970 378 HE3 MET 48 2HE MET 48 -11.324 -9.250 -4.660 379 H ILE 49 H ILE 49 -8.688 -6.247 1.807 380 HA ILE 49 HA ILE 49 -5.772 -5.838 1.793 381 HB ILE 49 HB ILE 49 -7.928 -4.432 3.399 382 HG12 ILE 49 2HG1 ILE 49 -6.286 -3.430 1.049 383 HG13 ILE 49 1HG1 ILE 49 -7.980 -3.909 0.975 384 HG21 ILE 49 1HG2 ILE 49 -5.817 -4.497 4.611 385 HG22 ILE 49 2HG2 ILE 49 -6.164 -2.859 4.058 386 HG23 ILE 49 3HG2 ILE 49 -4.972 -3.844 3.207 387 HD11 ILE 49 3HD1 ILE 49 -8.556 -2.096 2.500 388 HD12 ILE 49 1HD1 ILE 49 -7.745 -1.500 1.053 389 HD13 ILE 49 2HD1 ILE 49 -6.861 -1.617 2.574 390 H SER 50 H SER 50 -8.346 -6.405 4.214 391 HA SER 50 HA SER 50 -6.640 -7.121 6.322 392 HB2 SER 50 2HB SER 50 -9.533 -7.934 5.929 393 HB3 SER 50 1HB SER 50 -8.652 -7.933 7.459 394 HG SER 50 HG SER 50 -9.359 -5.962 7.615 395 H SER 51 H SER 51 -8.541 -9.260 4.169 396 HA SER 51 HA SER 51 -7.922 -11.658 5.481 397 HB2 SER 51 2HB SER 51 -8.717 -11.190 2.597 398 HB3 SER 51 1HB SER 51 -8.637 -12.780 3.358 399 HG SER 51 HG SER 51 -10.696 -11.246 3.344 400 H ILE 52 H ILE 52 -6.064 -9.846 3.175 401 HA ILE 52 HA ILE 52 -4.189 -12.032 2.724 402 HB ILE 52 HB ILE 52 -4.027 -9.159 1.767 403 HG12 ILE 52 2HG1 ILE 52 -5.055 -11.649 0.363 404 HG13 ILE 52 1HG1 ILE 52 -6.031 -10.282 0.885 405 HG21 ILE 52 1HG2 ILE 52 -2.403 -10.018 0.144 406 HG22 ILE 52 2HG2 ILE 52 -2.525 -11.625 0.862 407 HG23 ILE 52 3HG2 ILE 52 -1.857 -10.287 1.798 408 HD11 ILE 52 3HD1 ILE 52 -3.894 -10.229 -1.236 409 HD12 ILE 52 1HD1 ILE 52 -4.853 -8.845 -0.710 410 HD13 ILE 52 2HD1 ILE 52 -5.636 -10.214 -1.500 411 H VAL 53 H VAL 53 -4.219 -8.862 4.350 412 HA VAL 53 HA VAL 53 -1.515 -9.102 5.310 413 HB VAL 53 HB VAL 53 -3.719 -7.197 6.139 414 HG11 VAL 53 1HG1 VAL 53 -0.754 -7.093 6.737 415 HG12 VAL 53 2HG1 VAL 53 -2.041 -7.410 7.903 416 HG13 VAL 53 3HG1 VAL 53 -1.927 -5.834 7.119 417 HG21 VAL 53 3HG2 VAL 53 -1.385 -6.822 4.253 418 HG22 VAL 53 1HG2 VAL 53 -2.539 -5.577 4.725 419 HG23 VAL 53 2HG2 VAL 53 -3.081 -6.971 3.790 420 H ASN 54 H ASN 54 -4.566 -8.817 7.173 421 HA ASN 54 HA ASN 54 -3.534 -9.871 9.573 422 HB2 ASN 54 2HB ASN 54 -5.622 -8.528 9.422 423 HB3 ASN 54 1HB ASN 54 -6.415 -9.878 8.616 424 HD21 ASN 54 1HD2 ASN 54 -5.194 -8.659 11.631 425 HD22 ASN 54 2HD2 ASN 54 -5.937 -9.850 12.637 426 H SER 55 H SER 55 -4.726 -11.381 6.706 427 HA SER 55 HA SER 55 -4.484 -13.489 5.908 428 HB2 SER 55 2HB SER 55 -3.141 -14.167 8.537 429 HB3 SER 55 1HB SER 55 -3.088 -15.124 7.057 430 HG SER 55 HG SER 55 -2.083 -12.472 7.346 431 H THR 56 H THR 56 -6.576 -14.075 5.721 432 HA THR 56 HA THR 56 -7.504 -16.117 7.546 433 HB THR 56 HB THR 56 -8.573 -14.457 8.773 434 HG1 THR 56 HG1 THR 56 -10.689 -14.933 8.489 435 HG21 THR 56 3HG2 THR 56 -9.825 -12.565 7.826 436 HG22 THR 56 1HG2 THR 56 -9.382 -13.089 6.201 437 HG23 THR 56 2HG2 THR 56 -8.135 -12.545 7.323 438 H TYR 57 H TYR 57 -9.575 -14.255 5.306 439 HA TYR 57 HA TYR 57 -10.101 -16.694 3.836 440 HB2 TYR 57 2HB TYR 57 -11.188 -13.890 3.474 441 HB3 TYR 57 1HB TYR 57 -11.724 -15.296 2.565 442 HD1 TYR 57 HD2 TYR 57 -12.506 -17.343 4.093 443 HD2 TYR 57 HD1 TYR 57 -12.432 -13.268 5.330 444 HE1 TYR 57 HE2 TYR 57 -14.183 -17.840 5.820 445 HE2 TYR 57 HE1 TYR 57 -14.109 -13.761 7.059 446 HH TYR 57 HH TYR 57 -15.961 -15.524 7.383 447 H TYR 58 H TYR 58 -8.002 -17.047 2.872 448 HA TYR 58 HA TYR 58 -7.790 -15.733 0.299 449 HB2 TYR 58 2HB TYR 58 -5.560 -14.913 0.506 450 HB3 TYR 58 1HB TYR 58 -6.449 -14.299 1.894 451 HD1 TYR 58 HD2 TYR 58 -6.070 -15.365 4.162 452 HD2 TYR 58 HD1 TYR 58 -3.648 -16.299 0.780 453 HE1 TYR 58 HE2 TYR 58 -4.347 -16.294 5.651 454 HE2 TYR 58 HE1 TYR 58 -1.924 -17.226 2.265 455 HH TYR 58 HH TYR 58 -1.187 -17.083 4.541 456 H ALA 59 H ALA 59 -6.712 -16.898 -1.234 457 HA ALA 59 HA ALA 59 -5.255 -19.332 -0.460 458 HB1 ALA 59 3HB ALA 59 -7.379 -19.231 -2.614 459 HB2 ALA 59 1HB ALA 59 -7.529 -20.040 -1.053 460 HB3 ALA 59 2HB ALA 59 -6.353 -20.615 -2.235 461 H ASN 60 H ASN 60 -6.239 -17.356 -3.257 462 HA ASN 60 HA ASN 60 -3.516 -16.599 -3.791 463 HB2 ASN 60 2HB ASN 60 -3.656 -18.816 -4.934 464 HB3 ASN 60 1HB ASN 60 -4.983 -18.198 -5.913 465 HD21 ASN 60 1HD2 ASN 60 -3.723 -18.619 -7.779 466 HD22 ASN 60 2HD2 ASN 60 -2.429 -17.563 -8.241 467 H VAL 61 H VAL 61 -3.427 -14.658 -4.924 468 HA VAL 61 HA VAL 61 -6.058 -13.483 -5.589 469 HB VAL 61 HB VAL 61 -5.220 -12.650 -3.432 470 HG11 VAL 61 1HG1 VAL 61 -2.822 -12.888 -3.820 471 HG12 VAL 61 2HG1 VAL 61 -3.217 -11.243 -3.319 472 HG13 VAL 61 3HG1 VAL 61 -2.876 -11.591 -5.014 473 HG21 VAL 61 3HG2 VAL 61 -6.607 -11.185 -4.816 474 HG22 VAL 61 1HG2 VAL 61 -5.164 -10.550 -5.605 475 HG23 VAL 61 2HG2 VAL 61 -5.432 -10.254 -3.887 476 H SER 62 H SER 62 -6.169 -11.985 -7.270 477 HA SER 62 HA SER 62 -4.193 -12.232 -9.340 478 HB2 SER 62 2HB SER 62 -6.501 -12.070 -10.009 479 HB3 SER 62 1HB SER 62 -6.704 -10.552 -9.132 480 HG SER 62 HG SER 62 -6.109 -10.757 -11.621 481 H ALA 63 H ALA 63 -3.145 -10.435 -10.412 482 HA ALA 63 HA ALA 63 -2.052 -8.471 -8.575 483 HB1 ALA 63 3HB ALA 63 -0.602 -7.847 -10.466 484 HB2 ALA 63 1HB ALA 63 -1.502 -8.947 -11.510 485 HB3 ALA 63 2HB ALA 63 -0.567 -9.583 -10.156 486 H ALA 64 H ALA 64 -4.720 -8.615 -10.640 487 HA ALA 64 HA ALA 64 -4.899 -6.094 -11.803 488 HB1 ALA 64 3HB ALA 64 -6.433 -7.945 -12.293 489 HB2 ALA 64 1HB ALA 64 -7.308 -6.466 -11.895 490 HB3 ALA 64 2HB ALA 64 -7.168 -7.757 -10.701 491 H LYS 65 H LYS 65 -6.161 -7.101 -8.615 492 HA LYS 65 HA LYS 65 -7.095 -4.538 -7.857 493 HB2 LYS 65 2HB LYS 65 -7.284 -5.507 -5.593 494 HB3 LYS 65 1HB LYS 65 -7.969 -6.546 -6.830 495 HG2 LYS 65 2HG LYS 65 -6.852 -8.105 -5.602 496 HG3 LYS 65 1HG LYS 65 -5.576 -7.670 -6.739 497 HD2 LYS 65 2HD LYS 65 -4.681 -7.764 -4.479 498 HD3 LYS 65 1HD LYS 65 -4.652 -6.099 -5.061 499 HE2 LYS 65 2HE LYS 65 -6.659 -5.586 -3.789 500 HE3 LYS 65 1HE LYS 65 -6.793 -7.267 -3.275 501 HZ1 LYS 65 3HZ LYS 65 -4.636 -5.363 -2.554 502 HZ2 LYS 65 1HZ LYS 65 -4.637 -7.005 -2.152 503 HZ3 LYS 65 2HZ LYS 65 -5.827 -5.984 -1.525 504 H CYS 66 H CYS 66 -3.944 -5.579 -8.212 505 HA CYS 66 HA CYS 66 -2.853 -3.762 -6.179 506 HB2 CYS 66 2HB CYS 66 -1.814 -5.965 -6.328 507 HB3 CYS 66 1HB CYS 66 -1.480 -5.718 -8.039 508 HG CYS 66 HG CYS 66 0.135 -3.347 -7.277 509 H GLN 67 H GLN 67 -3.533 -3.912 -9.544 510 HA GLN 67 HA GLN 67 -1.560 -2.247 -10.625 511 HB2 GLN 67 2HB GLN 67 -4.429 -2.655 -11.488 512 HB3 GLN 67 1HB GLN 67 -3.220 -1.813 -12.448 513 HG2 GLN 67 2HG GLN 67 -3.049 -4.698 -11.577 514 HG3 GLN 67 1HG GLN 67 -3.565 -4.140 -13.167 515 HE21 GLN 67 1HE2 GLN 67 -1.301 -5.839 -12.394 516 HE22 GLN 67 2HE2 GLN 67 0.099 -5.060 -13.034 517 H GLU 68 H GLU 68 -4.891 -1.284 -9.674 518 HA GLU 68 HA GLU 68 -4.290 1.487 -10.019 519 HB2 GLU 68 2HB GLU 68 -6.665 0.081 -8.804 520 HB3 GLU 68 1HB GLU 68 -6.542 1.836 -8.897 521 HG2 GLU 68 2HG GLU 68 -6.259 1.619 -11.367 522 HG3 GLU 68 1HG GLU 68 -6.583 -0.106 -11.204 523 H PHE 69 H PHE 69 -3.737 -0.660 -7.400 524 HA PHE 69 HA PHE 69 -3.708 1.211 -5.271 525 HB2 PHE 69 2HB PHE 69 -3.582 -1.182 -4.809 526 HB3 PHE 69 1HB PHE 69 -2.048 -1.296 -5.668 527 HD1 PHE 69 HD1 PHE 69 -3.689 0.156 -2.675 528 HD2 PHE 69 HD2 PHE 69 -0.002 -0.839 -4.564 529 HE1 PHE 69 HE1 PHE 69 -2.490 0.627 -0.580 530 HE2 PHE 69 HE2 PHE 69 1.200 -0.369 -2.471 531 HZ PHE 69 HZ PHE 69 -0.043 0.366 -0.475 532 H GLY 70 H GLY 70 -1.022 -0.016 -7.296 533 HA2 GLY 70 2HA GLY 70 0.927 1.837 -6.478 534 HA3 GLY 70 1HA GLY 70 0.912 1.000 -8.023 535 H ARG 71 H ARG 71 -1.517 2.063 -9.033 536 HA ARG 71 HA ARG 71 -0.699 4.486 -10.191 537 HB2 ARG 71 2HB ARG 71 -2.391 2.955 -11.160 538 HB3 ARG 71 1HB ARG 71 -3.518 3.415 -9.893 539 HG2 ARG 71 2HG ARG 71 -3.431 5.754 -10.728 540 HG3 ARG 71 1HG ARG 71 -2.403 5.202 -12.053 541 HD2 ARG 71 2HD ARG 71 -5.243 4.345 -11.480 542 HD3 ARG 71 1HD ARG 71 -4.697 5.365 -12.810 543 HE ARG 71 HE ARG 71 -3.375 2.867 -12.894 544 HH11 ARG 71 1HH1 ARG 71 -6.448 4.299 -13.529 545 HH12 ARG 71 2HH1 ARG 71 -6.890 3.078 -14.676 546 HH21 ARG 71 1HH2 ARG 71 -3.950 1.327 -14.344 547 HH22 ARG 71 2HH2 ARG 71 -5.474 1.435 -15.157 548 H TRP 72 H TRP 72 -3.115 3.917 -7.623 549 HA TRP 72 HA TRP 72 -3.747 6.601 -7.106 550 HB2 TRP 72 2HB TRP 72 -5.155 4.795 -6.297 551 HB3 TRP 72 1HB TRP 72 -3.854 4.175 -5.290 552 HD1 TRP 72 HD TRP 72 -6.310 7.147 -5.487 553 HE1 TRP 72 HE1 TRP 72 -6.579 8.133 -3.123 554 HE3 TRP 72 HE3 TRP 72 -2.778 4.371 -3.041 555 HZ2 TRP 72 HZ2 TRP 72 -5.445 7.780 -0.566 556 HZ3 TRP 72 HZ3 TRP 72 -2.437 4.759 -0.637 557 HH2 TRP 72 HH TRP 72 -3.743 6.429 0.575 558 H TYR 73 H TYR 73 -1.379 4.464 -5.499 559 HA TYR 73 HA TYR 73 -0.481 6.382 -3.624 560 HB2 TYR 73 2HB TYR 73 -0.169 3.799 -3.678 561 HB3 TYR 73 1HB TYR 73 1.255 4.142 -4.650 562 HD1 TYR 73 HD2 TYR 73 -0.327 5.025 -1.386 563 HD2 TYR 73 HD1 TYR 73 3.303 4.559 -3.565 564 HE1 TYR 73 HE2 TYR 73 0.954 5.379 0.681 565 HE2 TYR 73 HE1 TYR 73 4.591 4.913 -1.500 566 HH TYR 73 HH TYR 73 4.250 6.033 0.719 567 H LYS 74 H LYS 74 0.518 5.642 -6.915 568 HA LYS 74 HA LYS 74 2.824 7.226 -7.099 569 HB2 LYS 74 2HB LYS 74 2.286 5.689 -8.853 570 HB3 LYS 74 1HB LYS 74 0.728 6.449 -9.133 571 HG2 LYS 74 2HG LYS 74 1.766 8.375 -10.113 572 HG3 LYS 74 1HG LYS 74 3.372 7.803 -9.659 573 HD2 LYS 74 2HD LYS 74 2.838 7.426 -12.058 574 HD3 LYS 74 1HD LYS 74 3.198 5.936 -11.186 575 HE2 LYS 74 2HE LYS 74 0.761 5.534 -10.954 576 HE3 LYS 74 1HE LYS 74 0.458 6.979 -11.920 577 HZ1 LYS 74 3HZ LYS 74 1.521 5.971 -13.787 578 HZ2 LYS 74 1HZ LYS 74 0.383 4.875 -13.194 579 HZ3 LYS 74 2HZ LYS 74 2.024 4.647 -12.873 580 H HIS 75 H HIS 75 -0.576 8.081 -7.769 581 HA HIS 75 HA HIS 75 -0.097 10.850 -8.217 582 HB2 HIS 75 2HB HIS 75 -2.147 9.892 -9.038 583 HB3 HIS 75 1HB HIS 75 -2.599 9.336 -7.430 584 HD1 HIS 75 HD1 HIS 75 -4.186 10.797 -6.231 585 HD2 HIS 75 HD2 HIS 75 -2.088 12.899 -9.137 586 HE1 HIS 75 HE1 HIS 75 -5.149 13.109 -6.208 587 HE2 HIS 75 HE2 HIS 75 -3.865 14.372 -7.959 588 H PHE 76 H PHE 76 -0.909 8.984 -5.328 589 HA PHE 76 HA PHE 76 -1.453 11.041 -3.533 590 HB2 PHE 76 2HB PHE 76 -1.815 8.641 -3.070 591 HB3 PHE 76 1HB PHE 76 -0.077 8.392 -2.990 592 HD1 PHE 76 HD2 PHE 76 -2.940 10.058 -1.340 593 HD2 PHE 76 HD1 PHE 76 1.123 8.821 -0.991 594 HE1 PHE 76 HE2 PHE 76 -3.004 10.541 1.067 595 HE2 PHE 76 HE1 PHE 76 1.062 9.301 1.423 596 HZ PHE 76 HZ PHE 76 -1.002 10.162 2.453 597 H LYS 77 H LYS 77 1.680 9.483 -4.240 598 HA LYS 77 HA LYS 77 3.183 11.296 -2.577 599 HB2 LYS 77 2HB LYS 77 4.063 9.284 -4.661 600 HB3 LYS 77 1HB LYS 77 5.168 10.204 -3.649 601 HG2 LYS 77 2HG LYS 77 4.205 9.162 -1.651 602 HG3 LYS 77 1HG LYS 77 3.104 8.233 -2.671 603 HD2 LYS 77 2HD LYS 77 5.048 6.895 -1.990 604 HD3 LYS 77 1HD LYS 77 5.002 7.125 -3.739 605 HE2 LYS 77 2HE LYS 77 6.694 8.857 -3.591 606 HE3 LYS 77 1HE LYS 77 6.680 8.763 -1.830 607 HZ1 LYS 77 3HZ LYS 77 7.569 6.553 -1.938 608 HZ2 LYS 77 1HZ LYS 77 8.554 7.576 -2.854 609 HZ3 LYS 77 2HZ LYS 77 7.475 6.531 -3.628 610 H LYS 78 H LYS 78 1.927 11.518 -5.744 611 HA LYS 78 HA LYS 78 2.402 12.706 -7.632 612 HB2 LYS 78 2HB LYS 78 3.604 14.603 -5.602 613 HB3 LYS 78 1HB LYS 78 3.358 14.999 -7.296 614 HG2 LYS 78 2HG LYS 78 0.903 14.523 -6.929 615 HG3 LYS 78 1HG LYS 78 1.267 14.449 -5.206 616 HD2 LYS 78 2HD LYS 78 0.486 16.657 -5.670 617 HD3 LYS 78 1HD LYS 78 2.224 16.770 -5.394 618 HE2 LYS 78 2HE LYS 78 1.003 16.576 -8.149 619 HE3 LYS 78 1HE LYS 78 1.298 18.111 -7.340 620 HZ1 LYS 78 3HZ LYS 78 3.648 17.598 -7.261 621 HZ2 LYS 78 1HZ LYS 78 3.092 17.511 -8.857 622 HZ3 LYS 78 2HZ LYS 78 3.384 16.096 -7.987 623 H THR 79 H THR 79 4.276 10.698 -6.831 624 HA THR 79 HA THR 79 6.969 11.498 -6.941 625 HB THR 79 HB THR 79 6.438 9.333 -6.066 626 HG1 THR 79 HG1 THR 79 8.339 9.722 -7.790 627 HG21 THR 79 3HG2 THR 79 5.585 7.503 -7.471 628 HG22 THR 79 1HG2 THR 79 5.428 8.622 -8.826 629 HG23 THR 79 2HG2 THR 79 4.439 8.841 -7.382 630 H LYS 80 H LYS 80 4.695 11.490 -9.438 631 HA LYS 80 HA LYS 80 6.763 12.235 -11.324 632 HB2 LYS 80 2HB LYS 80 6.506 9.766 -11.630 633 HB3 LYS 80 1HB LYS 80 4.815 10.031 -12.043 634 HG2 LYS 80 2HG LYS 80 5.648 11.551 -13.899 635 HG3 LYS 80 1HG LYS 80 7.258 10.915 -13.563 636 HD2 LYS 80 2HD LYS 80 6.290 9.681 -15.396 637 HD3 LYS 80 1HD LYS 80 6.392 8.623 -13.988 638 HE2 LYS 80 2HE LYS 80 4.054 8.827 -13.565 639 HE3 LYS 80 1HE LYS 80 3.894 10.143 -14.731 640 HZ1 LYS 80 3HZ LYS 80 4.330 8.631 -16.510 641 HZ2 LYS 80 1HZ LYS 80 3.091 7.984 -15.562 642 HZ3 LYS 80 2HZ LYS 80 4.660 7.366 -15.441 643 H ASP 81 H ASP 81 6.054 14.169 -11.973 644 HA ASP 81 HA ASP 81 3.214 14.691 -12.370 645 HB2 ASP 81 2HB ASP 81 5.671 16.447 -12.563 646 HB3 ASP 81 1HB ASP 81 4.058 17.013 -12.986 647 H MET 82 H MET 82 6.165 14.388 -14.312 648 HA MET 82 HA MET 82 4.943 15.218 -16.765 649 HB2 MET 82 2HB MET 82 7.449 15.240 -16.104 650 HB3 MET 82 1HB MET 82 7.451 13.550 -16.588 651 HG2 MET 82 2HG MET 82 6.590 15.806 -18.385 652 HG3 MET 82 1HG MET 82 8.229 15.166 -18.329 653 HE1 MET 82 3HE MET 82 8.962 12.858 -19.227 654 HE2 MET 82 1HE MET 82 7.853 11.584 -19.737 655 HE3 MET 82 2HE MET 82 7.914 12.074 -18.045 656 H MET 83 H MET 83 3.970 14.039 -18.340 657 HA MET 83 HA MET 83 2.469 11.859 -17.689 658 HB2 MET 83 2HB MET 83 2.083 11.555 -20.138 659 HB3 MET 83 1HB MET 83 1.870 13.200 -19.562 660 HG2 MET 83 2HG MET 83 4.054 13.812 -20.458 661 HG3 MET 83 1HG MET 83 4.306 12.153 -21.002 662 HE1 MET 83 3HE MET 83 1.454 11.802 -23.703 663 HE2 MET 83 1HE MET 83 1.327 11.421 -21.987 664 HE3 MET 83 2HE MET 83 2.781 10.979 -22.885 Start of MODEL 9 1 H1 MET 1 1H MET 1 6.768 8.741 16.428 2 H2 MET 1 2H MET 1 6.441 7.260 17.172 3 H3 MET 1 3H MET 1 7.545 7.335 15.895 4 HA MET 1 HA MET 1 9.043 8.678 17.210 5 HB2 MET 1 2HB MET 1 7.242 9.722 18.592 6 HB3 MET 1 1HB MET 1 7.058 8.203 19.453 7 HG2 MET 1 2HG MET 1 9.417 8.388 20.194 8 HG3 MET 1 1HG MET 1 9.497 9.970 19.423 9 HE1 MET 1 3HE MET 1 6.743 11.922 21.516 10 HE2 MET 1 1HE MET 1 6.391 10.921 20.108 11 HE3 MET 1 2HE MET 1 7.799 11.982 20.107 12 H GLY 2 H GLY 2 10.742 7.392 17.632 13 HA2 GLY 2 2HA GLY 2 11.898 5.703 18.800 14 HA3 GLY 2 1HA GLY 2 10.370 4.931 19.185 15 H HIS 3 H HIS 3 9.377 4.901 16.433 16 HA HIS 3 HA HIS 3 10.661 2.453 15.640 17 HB2 HIS 3 2HB HIS 3 8.228 2.703 15.429 18 HB3 HIS 3 1HB HIS 3 8.452 4.000 14.257 19 HD1 HIS 3 HD1 HIS 3 8.951 0.275 14.644 20 HD2 HIS 3 HD2 HIS 3 8.871 3.156 11.650 21 HE1 HIS 3 HE1 HIS 3 9.016 -0.997 12.485 22 HE2 HIS 3 HE2 HIS 3 8.815 0.755 10.697 23 H HIS 4 H HIS 4 12.716 2.855 14.957 24 HA HIS 4 HA HIS 4 13.425 4.887 13.090 25 HB2 HIS 4 2HB HIS 4 14.898 2.357 13.873 26 HB3 HIS 4 1HB HIS 4 15.586 3.674 12.927 27 HD1 HIS 4 HD1 HIS 4 14.795 2.640 16.385 28 HD2 HIS 4 HD2 HIS 4 16.036 6.076 14.403 29 HE1 HIS 4 HE1 HIS 4 15.616 4.191 18.177 30 HE2 HIS 4 HE2 HIS 4 16.500 6.191 16.945 31 H HIS 5 H HIS 5 13.714 4.807 10.901 32 HA HIS 5 HA HIS 5 12.967 2.351 9.467 33 HB2 HIS 5 2HB HIS 5 11.592 3.839 7.903 34 HB3 HIS 5 1HB HIS 5 10.911 3.523 9.495 35 HD1 HIS 5 HD1 HIS 5 11.100 5.518 11.254 36 HD2 HIS 5 HD2 HIS 5 11.966 6.510 7.311 37 HE1 HIS 5 HE1 HIS 5 11.001 8.020 11.154 38 HE2 HIS 5 HE2 HIS 5 11.376 8.585 8.735 39 H HIS 6 H HIS 6 14.391 1.879 7.927 40 HA HIS 6 HA HIS 6 16.508 3.747 7.299 41 HB2 HIS 6 2HB HIS 6 16.009 0.892 6.425 42 HB3 HIS 6 1HB HIS 6 17.454 1.818 6.023 43 HD1 HIS 6 HD1 HIS 6 15.719 0.160 8.921 44 HD2 HIS 6 HD2 HIS 6 19.307 2.090 8.088 45 HE1 HIS 6 HE1 HIS 6 17.170 -0.214 10.927 46 HE2 HIS 6 HE2 HIS 6 19.244 1.130 10.486 47 H HIS 7 H HIS 7 17.234 3.339 4.733 48 HA HIS 7 HA HIS 7 15.388 5.153 3.501 49 HB2 HIS 7 2HB HIS 7 17.975 5.147 3.377 50 HB3 HIS 7 1HB HIS 7 17.766 3.971 2.086 51 HD1 HIS 7 HD1 HIS 7 18.696 5.597 0.303 52 HD2 HIS 7 HD2 HIS 7 15.340 7.033 2.299 53 HE1 HIS 7 HE1 HIS 7 17.954 7.619 -0.987 54 HE2 HIS 7 HE2 HIS 7 15.835 8.368 0.139 55 H HIS 8 H HIS 8 16.737 2.048 2.264 56 HA HIS 8 HA HIS 8 15.895 0.492 0.814 57 HB2 HIS 8 2HB HIS 8 13.308 1.336 2.148 58 HB3 HIS 8 1HB HIS 8 13.460 -0.066 1.095 59 HD1 HIS 8 HD1 HIS 8 14.305 -2.195 2.127 60 HD2 HIS 8 HD2 HIS 8 14.748 1.081 4.644 61 HE1 HIS 8 HE1 HIS 8 14.981 -3.138 4.350 62 HE2 HIS 8 HE2 HIS 8 15.411 -1.135 5.799 63 H SER 9 H SER 9 16.196 3.158 -0.295 64 HA SER 9 HA SER 9 13.860 4.037 -1.629 65 HB2 SER 9 2HB SER 9 15.768 5.529 -1.142 66 HB3 SER 9 1HB SER 9 16.734 4.674 -2.343 67 HG SER 9 HG SER 9 15.295 6.729 -2.823 68 H HIS 10 H HIS 10 13.071 2.106 -2.623 69 HA HIS 10 HA HIS 10 13.685 2.149 -5.436 70 HB2 HIS 10 2HB HIS 10 14.380 -0.238 -3.778 71 HB3 HIS 10 1HB HIS 10 13.650 -0.529 -5.351 72 HD1 HIS 10 HD1 HIS 10 14.964 0.821 -7.386 73 HD2 HIS 10 HD2 HIS 10 17.087 0.035 -3.904 74 HE1 HIS 10 HE1 HIS 10 17.379 1.013 -8.020 75 HE2 HIS 10 HE2 HIS 10 18.630 0.739 -5.857 76 H MET 11 H MET 11 11.871 0.386 -2.915 77 HA MET 11 HA MET 11 9.534 0.270 -4.664 78 HB2 MET 11 2HB MET 11 9.939 -0.821 -1.871 79 HB3 MET 11 1HB MET 11 8.517 -1.085 -2.868 80 HG2 MET 11 2HG MET 11 9.942 -2.237 -4.533 81 HG3 MET 11 1HG MET 11 11.318 -2.039 -3.449 82 HE1 MET 11 3HE MET 11 11.372 -3.135 -0.952 83 HE2 MET 11 1HE MET 11 10.077 -4.159 -0.330 84 HE3 MET 11 2HE MET 11 9.786 -2.443 -0.615 85 H LEU 12 H LEU 12 10.793 2.503 -2.524 86 HA LEU 12 HA LEU 12 8.462 3.471 -1.249 87 HB2 LEU 12 2HB LEU 12 11.099 4.734 -1.938 88 HB3 LEU 12 1HB LEU 12 9.796 5.718 -1.301 89 HG LEU 12 HG LEU 12 9.738 4.357 0.744 90 HD11 LEU 12 1HD1 LEU 12 10.444 2.220 -0.180 91 HD12 LEU 12 2HD1 LEU 12 11.462 2.677 1.185 92 HD13 LEU 12 3HD1 LEU 12 12.062 2.858 -0.465 93 HD21 LEU 12 3HD2 LEU 12 11.895 5.062 1.679 94 HD22 LEU 12 1HD2 LEU 12 11.162 6.327 0.691 95 HD23 LEU 12 2HD2 LEU 12 12.497 5.371 0.049 96 HA PRO 13 HA PRO 13 7.471 5.812 -5.236 97 HB2 PRO 13 2HB PRO 13 9.167 5.673 -7.379 98 HB3 PRO 13 1HB PRO 13 9.250 6.936 -6.151 99 HG2 PRO 13 2HG PRO 13 11.092 4.725 -6.648 100 HG3 PRO 13 1HG PRO 13 11.328 6.180 -5.671 101 HD2 PRO 13 2HD PRO 13 10.676 3.495 -4.794 102 HD3 PRO 13 1HD PRO 13 11.059 4.920 -3.812 103 HA PRO 14 HA PRO 14 5.812 2.130 -7.141 104 HB2 PRO 14 2HB PRO 14 4.580 3.832 -9.211 105 HB3 PRO 14 1HB PRO 14 3.810 2.856 -7.954 106 HG2 PRO 14 2HG PRO 14 3.815 5.539 -7.842 107 HG3 PRO 14 1HG PRO 14 3.940 4.547 -6.376 108 HD2 PRO 14 2HD PRO 14 6.122 5.945 -7.906 109 HD3 PRO 14 1HD PRO 14 5.836 5.894 -6.149 110 H GLU 15 H GLU 15 8.363 2.177 -7.868 111 HA GLU 15 HA GLU 15 8.668 2.312 -10.750 112 HB2 GLU 15 2HB GLU 15 10.538 3.033 -9.400 113 HB3 GLU 15 1HB GLU 15 10.561 1.507 -8.525 114 HG2 GLU 15 2HG GLU 15 11.231 0.339 -10.567 115 HG3 GLU 15 1HG GLU 15 11.184 1.858 -11.458 116 H GLN 16 H GLN 16 9.019 -0.228 -8.270 117 HA GLN 16 HA GLN 16 7.936 -2.224 -10.105 118 HB2 GLN 16 2HB GLN 16 10.371 -2.204 -10.533 119 HB3 GLN 16 1HB GLN 16 10.670 -2.508 -8.827 120 HG2 GLN 16 2HG GLN 16 9.508 -4.670 -9.030 121 HG3 GLN 16 1HG GLN 16 9.276 -4.366 -10.751 122 HE21 GLN 16 1HE2 GLN 16 10.485 -6.148 -11.374 123 HE22 GLN 16 2HE2 GLN 16 12.201 -6.208 -11.203 124 H TRP 17 H TRP 17 6.208 -2.582 -8.745 125 HA TRP 17 HA TRP 17 6.753 -3.278 -5.930 126 HB2 TRP 17 2HB TRP 17 4.315 -2.185 -7.328 127 HB3 TRP 17 1HB TRP 17 4.197 -2.932 -5.737 128 HD1 TRP 17 HD TRP 17 7.053 -0.557 -6.833 129 HE1 TRP 17 HE1 TRP 17 7.004 1.509 -5.292 130 HE3 TRP 17 HE3 TRP 17 2.795 -1.602 -4.200 131 HZ2 TRP 17 HZ2 TRP 17 5.369 2.558 -3.249 132 HZ3 TRP 17 HZ3 TRP 17 2.058 -0.015 -2.472 133 HH2 TRP 17 HH TRP 17 3.317 2.020 -2.006 134 H SER 18 H SER 18 6.405 -5.271 -5.184 135 HA SER 18 HA SER 18 5.093 -7.257 -6.913 136 HB2 SER 18 2HB SER 18 6.792 -7.655 -4.430 137 HB3 SER 18 1HB SER 18 6.148 -8.942 -5.449 138 HG SER 18 HG SER 18 7.379 -7.469 -7.143 139 H HIS 19 H HIS 19 3.918 -9.050 -5.498 140 HA HIS 19 HA HIS 19 1.572 -7.821 -4.555 141 HB2 HIS 19 2HB HIS 19 2.543 -10.666 -4.197 142 HB3 HIS 19 1HB HIS 19 0.915 -10.120 -3.806 143 HD1 HIS 19 HD1 HIS 19 2.692 -11.734 -6.413 144 HD2 HIS 19 HD2 HIS 19 -0.311 -8.867 -6.304 145 HE1 HIS 19 HE1 HIS 19 1.596 -11.825 -8.666 146 HE2 HIS 19 HE2 HIS 19 -0.105 -9.976 -8.633 147 H THR 20 H THR 20 4.187 -9.417 -2.686 148 HA THR 20 HA THR 20 3.025 -8.944 -0.137 149 HB THR 20 HB THR 20 5.281 -9.371 0.803 150 HG1 THR 20 HG1 THR 20 6.940 -8.949 -0.430 151 HG21 THR 20 3HG2 THR 20 3.856 -11.273 0.272 152 HG22 THR 20 1HG2 THR 20 5.542 -11.666 -0.067 153 HG23 THR 20 2HG2 THR 20 4.444 -11.276 -1.392 154 H THR 21 H THR 21 5.185 -7.014 -2.149 155 HA THR 21 HA THR 21 5.931 -5.019 -0.352 156 HB THR 21 HB THR 21 5.314 -4.713 -3.306 157 HG1 THR 21 HG1 THR 21 7.933 -4.673 -2.686 158 HG21 THR 21 3HG2 THR 21 5.357 -2.525 -2.210 159 HG22 THR 21 1HG2 THR 21 6.793 -2.738 -3.214 160 HG23 THR 21 2HG2 THR 21 6.907 -2.915 -1.463 161 H VAL 22 H VAL 22 3.050 -5.128 -2.456 162 HA VAL 22 HA VAL 22 1.865 -2.728 -1.570 163 HB VAL 22 HB VAL 22 0.493 -5.200 -2.664 164 HG11 VAL 22 1HG1 VAL 22 -0.475 -2.339 -2.508 165 HG12 VAL 22 2HG1 VAL 22 -1.098 -3.703 -1.579 166 HG13 VAL 22 3HG1 VAL 22 -1.308 -3.658 -3.331 167 HG21 VAL 22 3HG2 VAL 22 0.633 -4.084 -4.836 168 HG22 VAL 22 1HG2 VAL 22 2.240 -4.344 -4.158 169 HG23 VAL 22 2HG2 VAL 22 1.507 -2.740 -4.100 170 H ARG 23 H ARG 23 1.477 -6.071 -0.456 171 HA ARG 23 HA ARG 23 -0.560 -5.683 1.423 172 HB2 ARG 23 2HB ARG 23 0.259 -7.882 0.595 173 HB3 ARG 23 1HB ARG 23 1.715 -7.675 1.558 174 HG2 ARG 23 2HG ARG 23 0.369 -7.695 3.604 175 HG3 ARG 23 1HG ARG 23 -1.099 -7.885 2.639 176 HD2 ARG 23 2HD ARG 23 -0.262 -10.014 1.772 177 HD3 ARG 23 1HD ARG 23 1.220 -9.824 2.706 178 HE ARG 23 HE ARG 23 -1.412 -10.057 4.007 179 HH11 ARG 23 1HH1 ARG 23 1.882 -11.006 3.682 180 HH12 ARG 23 2HH1 ARG 23 1.789 -12.152 4.977 181 HH21 ARG 23 1HH2 ARG 23 -1.506 -11.522 5.679 182 HH22 ARG 23 2HH2 ARG 23 -0.093 -12.430 6.095 183 H ASN 24 H ASN 24 2.981 -5.529 1.858 184 HA ASN 24 HA ASN 24 2.895 -4.840 4.620 185 HB2 ASN 24 2HB ASN 24 5.065 -4.530 2.533 186 HB3 ASN 24 1HB ASN 24 5.295 -4.121 4.233 187 HD21 ASN 24 1HD2 ASN 24 6.581 -6.172 2.566 188 HD22 ASN 24 2HD2 ASN 24 6.323 -7.664 3.396 189 H ALA 25 H ALA 25 2.928 -2.916 1.650 190 HA ALA 25 HA ALA 25 3.230 -0.367 2.802 191 HB1 ALA 25 3HB ALA 25 1.608 -1.113 0.357 192 HB2 ALA 25 1HB ALA 25 3.341 -0.784 0.378 193 HB3 ALA 25 2HB ALA 25 2.195 0.500 0.766 194 H LEU 26 H LEU 26 0.317 -2.323 2.225 195 HA LEU 26 HA LEU 26 -1.612 -0.541 3.208 196 HB2 LEU 26 2HB LEU 26 -1.566 -3.564 3.334 197 HB3 LEU 26 1HB LEU 26 -2.978 -2.576 3.656 198 HG LEU 26 HG LEU 26 -1.532 -2.763 1.005 199 HD11 LEU 26 1HD1 LEU 26 -4.194 -3.876 1.893 200 HD12 LEU 26 2HD1 LEU 26 -2.738 -4.802 1.526 201 HD13 LEU 26 3HD1 LEU 26 -3.562 -3.914 0.246 202 HD21 LEU 26 3HD2 LEU 26 -3.430 -1.460 0.130 203 HD22 LEU 26 1HD2 LEU 26 -2.494 -0.553 1.318 204 HD23 LEU 26 2HD2 LEU 26 -4.041 -1.265 1.775 205 H LYS 27 H LYS 27 0.327 -2.983 4.911 206 HA LYS 27 HA LYS 27 -0.765 -2.742 7.466 207 HB2 LYS 27 2HB LYS 27 0.760 -4.528 6.953 208 HB3 LYS 27 1HB LYS 27 2.054 -3.398 6.584 209 HG2 LYS 27 2HG LYS 27 2.428 -4.447 8.732 210 HG3 LYS 27 1HG LYS 27 2.137 -2.720 8.939 211 HD2 LYS 27 2HD LYS 27 -0.247 -3.266 9.493 212 HD3 LYS 27 1HD LYS 27 0.190 -4.976 9.452 213 HE2 LYS 27 2HE LYS 27 1.788 -4.641 11.248 214 HE3 LYS 27 1HE LYS 27 1.453 -2.911 11.258 215 HZ1 LYS 27 3HZ LYS 27 0.273 -3.977 13.028 216 HZ2 LYS 27 1HZ LYS 27 -0.448 -5.078 11.965 217 HZ3 LYS 27 2HZ LYS 27 -0.849 -3.433 11.887 218 H ASP 28 H ASP 28 1.760 -0.790 5.917 219 HA ASP 28 HA ASP 28 2.405 0.734 8.242 220 HB2 ASP 28 2HB ASP 28 3.938 0.433 6.310 221 HB3 ASP 28 1HB ASP 28 2.868 1.427 5.329 222 H LEU 29 H LEU 29 0.166 1.248 5.535 223 HA LEU 29 HA LEU 29 -0.688 3.849 6.413 224 HB2 LEU 29 2HB LEU 29 -1.974 1.860 4.534 225 HB3 LEU 29 1HB LEU 29 -2.560 3.494 4.793 226 HG LEU 29 HG LEU 29 0.146 2.771 3.642 227 HD11 LEU 29 1HD1 LEU 29 -0.764 3.639 1.535 228 HD12 LEU 29 2HD1 LEU 29 -2.341 3.840 2.302 229 HD13 LEU 29 3HD1 LEU 29 -1.654 2.227 2.102 230 HD21 LEU 29 3HD2 LEU 29 0.326 5.164 3.141 231 HD22 LEU 29 1HD2 LEU 29 0.202 4.876 4.876 232 HD23 LEU 29 2HD2 LEU 29 -1.201 5.454 3.976 233 H LEU 30 H LEU 30 -1.658 0.577 7.083 234 HA LEU 30 HA LEU 30 -4.134 1.222 8.410 235 HB2 LEU 30 2HB LEU 30 -3.636 -0.940 7.234 236 HB3 LEU 30 1HB LEU 30 -2.495 -1.320 8.507 237 HG LEU 30 HG LEU 30 -4.398 -1.254 10.143 238 HD11 LEU 30 1HD1 LEU 30 -5.947 0.141 8.919 239 HD12 LEU 30 2HD1 LEU 30 -6.684 -1.428 9.238 240 HD13 LEU 30 3HD1 LEU 30 -6.057 -1.060 7.630 241 HD21 LEU 30 3HD2 LEU 30 -5.296 -3.438 9.502 242 HD22 LEU 30 1HD2 LEU 30 -3.549 -3.364 9.266 243 HD23 LEU 30 2HD2 LEU 30 -4.632 -3.238 7.880 244 H LYS 31 H LYS 31 -1.292 2.196 9.291 245 HA LYS 31 HA LYS 31 -0.677 1.056 11.795 246 HB2 LYS 31 2HB LYS 31 0.855 2.352 10.312 247 HB3 LYS 31 1HB LYS 31 0.003 3.818 10.773 248 HG2 LYS 31 2HG LYS 31 0.710 3.529 13.083 249 HG3 LYS 31 1HG LYS 31 1.516 2.013 12.663 250 HD2 LYS 31 2HD LYS 31 2.213 4.776 11.636 251 HD3 LYS 31 1HD LYS 31 3.155 3.800 12.770 252 HE2 LYS 31 2HE LYS 31 3.597 2.152 11.065 253 HE3 LYS 31 1HE LYS 31 2.519 2.966 9.932 254 HZ1 LYS 31 3HZ LYS 31 4.792 3.470 9.425 255 HZ2 LYS 31 1HZ LYS 31 5.074 4.033 10.995 256 HZ3 LYS 31 2HZ LYS 31 4.026 4.874 9.970 257 H ASP 32 H ASP 32 -2.007 4.338 11.168 258 HA ASP 32 HA ASP 32 -2.766 4.563 13.967 259 HB2 ASP 32 2HB ASP 32 -3.080 6.564 11.718 260 HB3 ASP 32 1HB ASP 32 -3.280 6.894 13.436 261 H MET 33 H MET 33 -4.354 3.423 11.198 262 HA MET 33 HA MET 33 -6.988 4.149 12.310 263 HB2 MET 33 2HB MET 33 -7.837 4.562 10.034 264 HB3 MET 33 1HB MET 33 -6.552 5.673 10.483 265 HG2 MET 33 2HG MET 33 -4.955 4.300 9.196 266 HG3 MET 33 1HG MET 33 -6.296 3.271 8.685 267 HE1 MET 33 3HE MET 33 -4.326 4.671 6.617 268 HE2 MET 33 1HE MET 33 -5.465 5.282 5.417 269 HE3 MET 33 2HE MET 33 -5.696 3.679 6.114 270 H ASN 34 H ASN 34 -8.801 2.925 11.125 271 HA ASN 34 HA ASN 34 -8.186 0.082 11.375 272 HB2 ASN 34 2HB ASN 34 -10.803 1.591 11.213 273 HB3 ASN 34 1HB ASN 34 -10.693 -0.162 11.337 274 HD21 ASN 34 1HD2 ASN 34 -11.836 1.846 13.172 275 HD22 ASN 34 2HD2 ASN 34 -11.057 1.568 14.687 276 H GLN 35 H GLN 35 -9.875 -1.276 9.924 277 HA GLN 35 HA GLN 35 -8.634 -1.456 7.431 278 HB2 GLN 35 2HB GLN 35 -11.331 -2.576 8.230 279 HB3 GLN 35 1HB GLN 35 -10.341 -3.129 6.889 280 HG2 GLN 35 2HG GLN 35 -9.547 -3.267 9.791 281 HG3 GLN 35 1HG GLN 35 -10.235 -4.600 8.867 282 HE21 GLN 35 1HE2 GLN 35 -8.764 -3.944 6.442 283 HE22 GLN 35 2HE2 GLN 35 -7.130 -4.398 6.736 284 H SER 36 H SER 36 -11.993 -0.401 8.095 285 HA SER 36 HA SER 36 -12.733 0.186 5.476 286 HB2 SER 36 2HB SER 36 -14.358 0.051 7.308 287 HB3 SER 36 1HB SER 36 -13.698 1.523 8.021 288 HG SER 36 HG SER 36 -14.843 2.654 6.674 289 H SER 37 H SER 37 -11.065 2.234 7.824 290 HA SER 37 HA SER 37 -11.231 4.704 6.558 291 HB2 SER 37 2HB SER 37 -8.908 3.598 8.162 292 HB3 SER 37 1HB SER 37 -9.178 5.303 7.798 293 HG SER 37 HG SER 37 -9.977 4.788 9.860 294 H LEU 38 H LEU 38 -8.987 2.042 5.937 295 HA LEU 38 HA LEU 38 -7.369 3.424 4.042 296 HB2 LEU 38 2HB LEU 38 -6.875 1.244 5.321 297 HB3 LEU 38 1HB LEU 38 -7.853 0.440 4.112 298 HG LEU 38 HG LEU 38 -5.390 0.271 3.735 299 HD11 LEU 38 1HD1 LEU 38 -5.427 0.763 1.344 300 HD12 LEU 38 2HD1 LEU 38 -6.905 1.702 1.554 301 HD13 LEU 38 3HD1 LEU 38 -6.912 -0.034 1.865 302 HD21 LEU 38 3HD2 LEU 38 -5.572 3.231 3.169 303 HD22 LEU 38 1HD2 LEU 38 -4.161 2.204 2.908 304 HD23 LEU 38 2HD2 LEU 38 -4.755 2.487 4.543 305 H ALA 39 H ALA 39 -10.192 1.283 3.742 306 HA ALA 39 HA ALA 39 -10.257 1.269 0.895 307 HB1 ALA 39 3HB ALA 39 -12.414 0.173 1.146 308 HB2 ALA 39 1HB ALA 39 -12.458 0.613 2.854 309 HB3 ALA 39 2HB ALA 39 -11.235 -0.514 2.263 310 H LYS 40 H LYS 40 -11.064 3.740 3.048 311 HA LYS 40 HA LYS 40 -13.280 4.866 1.627 312 HB2 LYS 40 2HB LYS 40 -12.850 5.395 3.991 313 HB3 LYS 40 1HB LYS 40 -11.352 6.200 3.543 314 HG2 LYS 40 2HG LYS 40 -12.599 7.864 2.273 315 HG3 LYS 40 1HG LYS 40 -14.111 7.042 2.656 316 HD2 LYS 40 2HD LYS 40 -13.751 7.506 5.044 317 HD3 LYS 40 1HD LYS 40 -12.238 8.330 4.653 318 HE2 LYS 40 2HE LYS 40 -13.473 9.973 3.324 319 HE3 LYS 40 1HE LYS 40 -14.986 9.142 3.685 320 HZ1 LYS 40 3HZ LYS 40 -14.665 9.648 6.023 321 HZ2 LYS 40 1HZ LYS 40 -14.659 11.068 5.104 322 HZ3 LYS 40 2HZ LYS 40 -13.205 10.430 5.685 323 H GLU 41 H GLU 41 -9.829 5.839 1.793 324 HA GLU 41 HA GLU 41 -10.179 7.585 -0.514 325 HB2 GLU 41 2HB GLU 41 -7.737 6.989 1.170 326 HB3 GLU 41 1HB GLU 41 -7.776 8.150 -0.147 327 HG2 GLU 41 2HG GLU 41 -9.391 8.290 2.398 328 HG3 GLU 41 1HG GLU 41 -7.966 9.253 2.013 329 H CYS 42 H CYS 42 -9.111 4.364 0.101 330 HA CYS 42 HA CYS 42 -7.724 4.166 -2.477 331 HB2 CYS 42 2HB CYS 42 -6.667 3.096 -0.542 332 HB3 CYS 42 1HB CYS 42 -8.104 2.109 -0.286 333 HG CYS 42 HG CYS 42 -5.502 1.558 -2.231 334 HA PRO 43 HA PRO 43 -11.359 2.505 -4.491 335 HB2 PRO 43 2HB PRO 43 -10.167 1.364 -6.652 336 HB3 PRO 43 1HB PRO 43 -10.362 3.113 -6.475 337 HG2 PRO 43 2HG PRO 43 -7.949 1.413 -5.914 338 HG3 PRO 43 1HG PRO 43 -8.049 2.968 -6.763 339 HD2 PRO 43 2HD PRO 43 -7.269 2.786 -4.180 340 HD3 PRO 43 1HD PRO 43 -8.176 4.181 -4.800 341 H LEU 44 H LEU 44 -8.942 0.640 -3.042 342 HA LEU 44 HA LEU 44 -10.045 -1.953 -3.801 343 HB2 LEU 44 2HB LEU 44 -7.809 -1.254 -1.884 344 HB3 LEU 44 1HB LEU 44 -8.242 -2.875 -2.397 345 HG LEU 44 HG LEU 44 -7.200 -0.696 -4.220 346 HD11 LEU 44 1HD1 LEU 44 -5.151 -2.032 -4.318 347 HD12 LEU 44 2HD1 LEU 44 -5.815 -3.136 -3.112 348 HD13 LEU 44 3HD1 LEU 44 -5.481 -1.459 -2.681 349 HD21 LEU 44 3HD2 LEU 44 -8.696 -2.258 -5.367 350 HD22 LEU 44 1HD2 LEU 44 -7.741 -3.619 -4.774 351 HD23 LEU 44 2HD2 LEU 44 -7.029 -2.462 -5.900 352 H SER 45 H SER 45 -11.772 -2.728 -2.784 353 HA SER 45 HA SER 45 -12.933 -1.602 -0.487 354 HB2 SER 45 2HB SER 45 -14.323 -2.808 -2.031 355 HB3 SER 45 1HB SER 45 -13.391 -4.287 -1.802 356 HG SER 45 HG SER 45 -15.167 -3.017 -0.002 357 H GLN 46 H GLN 46 -13.394 -2.603 1.581 358 HA GLN 46 HA GLN 46 -11.139 -3.298 3.044 359 HB2 GLN 46 2HB GLN 46 -13.114 -2.397 4.104 360 HB3 GLN 46 1HB GLN 46 -14.057 -3.808 3.647 361 HG2 GLN 46 2HG GLN 46 -12.731 -5.206 5.128 362 HG3 GLN 46 1HG GLN 46 -11.717 -3.825 5.551 363 HE21 GLN 46 1HE2 GLN 46 -14.853 -5.301 5.915 364 HE22 GLN 46 2HE2 GLN 46 -15.370 -4.319 7.241 365 H SER 47 H SER 47 -13.548 -5.429 1.545 366 HA SER 47 HA SER 47 -12.689 -7.878 2.608 367 HB2 SER 47 2HB SER 47 -13.871 -7.310 -0.126 368 HB3 SER 47 1HB SER 47 -13.718 -8.915 0.592 369 HG SER 47 HG SER 47 -15.323 -8.496 1.921 370 H MET 48 H MET 48 -11.396 -5.957 -0.025 371 HA MET 48 HA MET 48 -9.529 -7.973 -0.929 372 HB2 MET 48 2HB MET 48 -9.693 -5.007 -1.527 373 HB3 MET 48 1HB MET 48 -8.635 -6.145 -2.346 374 HG2 MET 48 2HG MET 48 -10.543 -7.326 -3.250 375 HG3 MET 48 1HG MET 48 -11.644 -6.278 -2.354 376 HE1 MET 48 3HE MET 48 -12.944 -5.800 -4.671 377 HE2 MET 48 1HE MET 48 -11.791 -6.841 -5.511 378 HE3 MET 48 2HE MET 48 -12.129 -5.223 -6.124 379 H ILE 49 H ILE 49 -9.620 -5.937 1.726 380 HA ILE 49 HA ILE 49 -6.692 -5.695 1.923 381 HB ILE 49 HB ILE 49 -8.814 -4.460 3.697 382 HG12 ILE 49 2HG1 ILE 49 -7.197 -3.156 1.484 383 HG13 ILE 49 1HG1 ILE 49 -8.885 -3.634 1.339 384 HG21 ILE 49 1HG2 ILE 49 -6.686 -4.709 4.839 385 HG22 ILE 49 2HG2 ILE 49 -6.968 -3.008 4.467 386 HG23 ILE 49 3HG2 ILE 49 -5.843 -3.949 3.488 387 HD11 ILE 49 3HD1 ILE 49 -9.473 -2.065 3.124 388 HD12 ILE 49 1HD1 ILE 49 -8.696 -1.265 1.759 389 HD13 ILE 49 2HD1 ILE 49 -7.782 -1.572 3.234 390 H SER 50 H SER 50 -9.362 -6.398 4.207 391 HA SER 50 HA SER 50 -7.839 -7.513 6.234 392 HB2 SER 50 2HB SER 50 -10.686 -8.259 5.516 393 HB3 SER 50 1HB SER 50 -9.922 -8.474 7.090 394 HG SER 50 HG SER 50 -11.145 -6.594 7.106 395 H SER 51 H SER 51 -9.554 -9.262 3.638 396 HA SER 51 HA SER 51 -9.037 -11.858 4.493 397 HB2 SER 51 2HB SER 51 -9.309 -10.908 1.628 398 HB3 SER 51 1HB SER 51 -9.523 -12.565 2.193 399 HG SER 51 HG SER 51 -11.352 -10.705 2.031 400 H ILE 52 H ILE 52 -6.951 -9.672 2.690 401 HA ILE 52 HA ILE 52 -5.012 -11.777 2.123 402 HB ILE 52 HB ILE 52 -4.915 -8.821 1.480 403 HG12 ILE 52 2HG1 ILE 52 -5.583 -11.229 -0.242 404 HG13 ILE 52 1HG1 ILE 52 -6.705 -9.978 0.281 405 HG21 ILE 52 1HG2 ILE 52 -3.108 -11.048 0.519 406 HG22 ILE 52 2HG2 ILE 52 -2.666 -9.784 1.667 407 HG23 ILE 52 3HG2 ILE 52 -3.047 -9.364 -0.002 408 HD11 ILE 52 3HD1 ILE 52 -4.357 -9.575 -1.562 409 HD12 ILE 52 1HD1 ILE 52 -5.494 -8.328 -1.042 410 HD13 ILE 52 2HD1 ILE 52 -6.054 -9.672 -2.036 411 H VAL 53 H VAL 53 -5.136 -8.752 4.012 412 HA VAL 53 HA VAL 53 -2.535 -8.927 5.094 413 HB VAL 53 HB VAL 53 -4.988 -7.582 6.267 414 HG11 VAL 53 1HG1 VAL 53 -2.061 -7.217 6.948 415 HG12 VAL 53 2HG1 VAL 53 -3.300 -7.916 7.992 416 HG13 VAL 53 3HG1 VAL 53 -3.381 -6.212 7.550 417 HG21 VAL 53 3HG2 VAL 53 -4.075 -5.532 5.274 418 HG22 VAL 53 1HG2 VAL 53 -4.406 -6.745 4.037 419 HG23 VAL 53 2HG2 VAL 53 -2.749 -6.456 4.569 420 H ASN 54 H ASN 54 -5.650 -9.667 6.690 421 HA ASN 54 HA ASN 54 -4.509 -11.032 8.896 422 HB2 ASN 54 2HB ASN 54 -7.314 -11.289 7.773 423 HB3 ASN 54 1HB ASN 54 -6.792 -11.768 9.386 424 HD21 ASN 54 1HD2 ASN 54 -8.266 -10.377 10.364 425 HD22 ASN 54 2HD2 ASN 54 -8.046 -8.668 10.377 426 H SER 55 H SER 55 -5.400 -12.037 5.691 427 HA SER 55 HA SER 55 -4.773 -13.836 4.461 428 HB2 SER 55 2HB SER 55 -2.626 -13.760 5.675 429 HB3 SER 55 1HB SER 55 -3.299 -14.811 6.922 430 HG SER 55 HG SER 55 -3.598 -16.411 5.280 431 H THR 56 H THR 56 -6.642 -14.164 7.251 432 HA THR 56 HA THR 56 -7.164 -16.875 7.464 433 HB THR 56 HB THR 56 -8.102 -15.414 9.093 434 HG1 THR 56 HG1 THR 56 -9.713 -16.754 9.279 435 HG21 THR 56 3HG2 THR 56 -9.874 -13.793 8.615 436 HG22 THR 56 1HG2 THR 56 -9.789 -14.194 6.897 437 HG23 THR 56 2HG2 THR 56 -8.418 -13.423 7.693 438 H TYR 57 H TYR 57 -8.748 -14.561 5.266 439 HA TYR 57 HA TYR 57 -10.078 -16.824 3.912 440 HB2 TYR 57 2HB TYR 57 -11.438 -14.885 4.939 441 HB3 TYR 57 1HB TYR 57 -10.826 -13.909 3.610 442 HD1 TYR 57 HD2 TYR 57 -12.756 -16.999 4.366 443 HD2 TYR 57 HD1 TYR 57 -11.922 -13.958 1.502 444 HE1 TYR 57 HE2 TYR 57 -14.588 -17.828 2.955 445 HE2 TYR 57 HE1 TYR 57 -13.758 -14.782 0.090 446 HH TYR 57 HH TYR 57 -16.120 -16.881 1.184 447 H TYR 58 H TYR 58 -7.281 -15.938 3.503 448 HA TYR 58 HA TYR 58 -7.070 -14.490 1.070 449 HB2 TYR 58 2HB TYR 58 -5.161 -14.578 2.526 450 HB3 TYR 58 1HB TYR 58 -5.134 -16.338 2.476 451 HD1 TYR 58 HD1 TYR 58 -4.860 -13.386 0.187 452 HD2 TYR 58 HD2 TYR 58 -3.658 -17.389 1.008 453 HE1 TYR 58 HE1 TYR 58 -3.305 -13.307 -1.715 454 HE2 TYR 58 HE2 TYR 58 -2.106 -17.320 -0.897 455 HH TYR 58 HH TYR 58 -1.717 -16.133 -2.917 456 H ALA 59 H ALA 59 -8.219 -15.280 -0.634 457 HA ALA 59 HA ALA 59 -8.062 -18.048 -1.446 458 HB1 ALA 59 3HB ALA 59 -10.090 -16.747 -1.867 459 HB2 ALA 59 1HB ALA 59 -9.398 -17.350 -3.372 460 HB3 ALA 59 2HB ALA 59 -9.185 -15.658 -2.918 461 H ASN 60 H ASN 60 -7.284 -15.114 -3.339 462 HA ASN 60 HA ASN 60 -4.611 -16.053 -3.933 463 HB2 ASN 60 2HB ASN 60 -6.046 -17.332 -5.530 464 HB3 ASN 60 1HB ASN 60 -6.617 -15.804 -6.195 465 HD21 ASN 60 1HD2 ASN 60 -3.974 -18.022 -5.985 466 HD22 ASN 60 2HD2 ASN 60 -3.000 -17.297 -7.215 467 H VAL 61 H VAL 61 -3.323 -14.287 -4.040 468 HA VAL 61 HA VAL 61 -4.414 -11.659 -4.062 469 HB VAL 61 HB VAL 61 -2.351 -12.131 -2.859 470 HG11 VAL 61 1HG1 VAL 61 -1.372 -13.801 -4.347 471 HG12 VAL 61 2HG1 VAL 61 -0.224 -12.510 -3.997 472 HG13 VAL 61 3HG1 VAL 61 -1.052 -12.555 -5.554 473 HG21 VAL 61 3HG2 VAL 61 -1.952 -10.140 -5.100 474 HG22 VAL 61 1HG2 VAL 61 -1.021 -10.194 -3.602 475 HG23 VAL 61 2HG2 VAL 61 -2.746 -9.837 -3.554 476 H SER 62 H SER 62 -5.330 -10.805 -5.803 477 HA SER 62 HA SER 62 -4.572 -11.670 -8.462 478 HB2 SER 62 2HB SER 62 -6.792 -9.861 -7.491 479 HB3 SER 62 1HB SER 62 -6.530 -10.271 -9.186 480 HG SER 62 HG SER 62 -6.878 -12.230 -7.159 481 H ALA 63 H ALA 63 -4.679 -9.906 -10.225 482 HA ALA 63 HA ALA 63 -2.291 -8.429 -10.002 483 HB1 ALA 63 3HB ALA 63 -2.771 -7.671 -12.263 484 HB2 ALA 63 1HB ALA 63 -4.434 -8.241 -12.112 485 HB3 ALA 63 2HB ALA 63 -3.102 -9.396 -12.098 486 H ALA 64 H ALA 64 -5.646 -7.216 -10.390 487 HA ALA 64 HA ALA 64 -5.073 -4.499 -10.418 488 HB1 ALA 64 3HB ALA 64 -7.578 -5.796 -9.341 489 HB2 ALA 64 1HB ALA 64 -7.253 -5.441 -11.037 490 HB3 ALA 64 2HB ALA 64 -7.416 -4.123 -9.877 491 H LYS 65 H LYS 65 -5.501 -6.637 -7.647 492 HA LYS 65 HA LYS 65 -5.679 -4.866 -5.551 493 HB2 LYS 65 2HB LYS 65 -5.740 -7.287 -5.239 494 HB3 LYS 65 1HB LYS 65 -4.046 -7.414 -5.698 495 HG2 LYS 65 2HG LYS 65 -4.298 -7.590 -3.293 496 HG3 LYS 65 1HG LYS 65 -3.408 -6.125 -3.716 497 HD2 LYS 65 2HD LYS 65 -5.552 -4.852 -3.510 498 HD3 LYS 65 1HD LYS 65 -6.316 -6.326 -2.911 499 HE2 LYS 65 2HE LYS 65 -4.734 -6.376 -1.037 500 HE3 LYS 65 1HE LYS 65 -3.970 -4.907 -1.644 501 HZ1 LYS 65 3HZ LYS 65 -5.512 -4.377 0.107 502 HZ2 LYS 65 1HZ LYS 65 -6.772 -5.163 -0.702 503 HZ3 LYS 65 2HZ LYS 65 -6.095 -3.758 -1.353 504 H CYS 66 H CYS 66 -2.799 -5.733 -7.401 505 HA CYS 66 HA CYS 66 -1.140 -3.898 -5.822 506 HB2 CYS 66 2HB CYS 66 -0.119 -6.030 -6.309 507 HB3 CYS 66 1HB CYS 66 -0.448 -5.846 -8.029 508 HG CYS 66 HG CYS 66 1.377 -3.333 -6.830 509 H GLN 67 H GLN 67 -2.122 -4.408 -9.202 510 HA GLN 67 HA GLN 67 -0.678 -2.275 -10.315 511 HB2 GLN 67 2HB GLN 67 -3.168 -3.685 -11.296 512 HB3 GLN 67 1HB GLN 67 -2.241 -2.543 -12.264 513 HG2 GLN 67 2HG GLN 67 -0.287 -3.985 -12.147 514 HG3 GLN 67 1HG GLN 67 -1.155 -5.104 -11.097 515 HE21 GLN 67 1HE2 GLN 67 -0.821 -6.787 -12.567 516 HE22 GLN 67 2HE2 GLN 67 -1.703 -6.898 -14.046 517 H GLU 68 H GLU 68 -4.001 -2.347 -9.040 518 HA GLU 68 HA GLU 68 -4.632 0.299 -9.944 519 HB2 GLU 68 2HB GLU 68 -6.344 -1.463 -9.510 520 HB3 GLU 68 1HB GLU 68 -6.012 -1.327 -7.790 521 HG2 GLU 68 2HG GLU 68 -8.024 -0.100 -8.407 522 HG3 GLU 68 1HG GLU 68 -6.772 0.987 -7.805 523 H PHE 69 H PHE 69 -3.716 -1.065 -6.776 524 HA PHE 69 HA PHE 69 -3.764 1.329 -5.302 525 HB2 PHE 69 2HB PHE 69 -3.587 -0.933 -4.284 526 HB3 PHE 69 1HB PHE 69 -1.943 -1.066 -4.898 527 HD1 PHE 69 HD1 PHE 69 -4.124 0.801 -2.561 528 HD2 PHE 69 HD2 PHE 69 -0.121 -0.096 -3.722 529 HE1 PHE 69 HE1 PHE 69 -3.291 1.878 -0.513 530 HE2 PHE 69 HE2 PHE 69 0.716 0.975 -1.670 531 HZ PHE 69 HZ PHE 69 -0.866 1.967 -0.064 532 H GLY 70 H GLY 70 -1.136 -0.210 -7.154 533 HA2 GLY 70 2HA GLY 70 0.882 1.682 -6.657 534 HA3 GLY 70 1HA GLY 70 0.777 0.667 -8.088 535 H ARG 71 H ARG 71 -1.508 1.564 -9.296 536 HA ARG 71 HA ARG 71 -0.747 3.841 -10.696 537 HB2 ARG 71 2HB ARG 71 -2.479 2.160 -11.392 538 HB3 ARG 71 1HB ARG 71 -3.592 2.889 -10.248 539 HG2 ARG 71 2HG ARG 71 -2.337 4.543 -12.416 540 HG3 ARG 71 1HG ARG 71 -3.734 3.527 -12.757 541 HD2 ARG 71 2HD ARG 71 -3.617 5.705 -10.664 542 HD3 ARG 71 1HD ARG 71 -4.365 5.851 -12.253 543 HE ARG 71 HE ARG 71 -5.377 3.701 -10.591 544 HH11 ARG 71 1HH1 ARG 71 -5.762 6.972 -11.603 545 HH12 ARG 71 2HH1 ARG 71 -7.436 7.019 -11.175 546 HH21 ARG 71 1HH2 ARG 71 -7.505 3.780 -10.035 547 HH22 ARG 71 2HH2 ARG 71 -8.405 5.243 -10.276 548 H TRP 72 H TRP 72 -3.028 3.585 -7.973 549 HA TRP 72 HA TRP 72 -3.624 6.311 -7.682 550 HB2 TRP 72 2HB TRP 72 -4.918 4.615 -6.532 551 HB3 TRP 72 1HB TRP 72 -3.502 4.085 -5.632 552 HD1 TRP 72 HD TRP 72 -5.927 7.091 -5.837 553 HE1 TRP 72 HE1 TRP 72 -5.916 8.283 -3.558 554 HE3 TRP 72 HE3 TRP 72 -2.227 4.411 -3.528 555 HZ2 TRP 72 HZ2 TRP 72 -4.530 8.117 -1.111 556 HZ3 TRP 72 HZ3 TRP 72 -1.619 4.998 -1.214 557 HH2 TRP 72 HH TRP 72 -2.750 6.815 -0.033 558 H TYR 73 H TYR 73 -1.076 4.360 -6.145 559 HA TYR 73 HA TYR 73 -0.045 6.384 -4.486 560 HB2 TYR 73 2HB TYR 73 0.340 3.814 -4.436 561 HB3 TYR 73 1HB TYR 73 1.659 4.142 -5.555 562 HD1 TYR 73 HD2 TYR 73 0.371 4.880 -2.155 563 HD2 TYR 73 HD1 TYR 73 3.752 4.973 -4.750 564 HE1 TYR 73 HE2 TYR 73 1.821 5.395 -0.239 565 HE2 TYR 73 HE1 TYR 73 5.208 5.487 -2.836 566 HH TYR 73 HH TYR 73 5.104 6.377 -0.623 567 H LYS 74 H LYS 74 0.638 5.584 -7.853 568 HA LYS 74 HA LYS 74 2.939 7.125 -8.278 569 HB2 LYS 74 2HB LYS 74 0.625 6.613 -10.171 570 HB3 LYS 74 1HB LYS 74 2.170 7.306 -10.648 571 HG2 LYS 74 2HG LYS 74 3.310 5.253 -9.966 572 HG3 LYS 74 1HG LYS 74 1.762 4.555 -9.487 573 HD2 LYS 74 2HD LYS 74 2.392 3.728 -11.679 574 HD3 LYS 74 1HD LYS 74 0.974 4.769 -11.821 575 HE2 LYS 74 2HE LYS 74 2.396 6.618 -12.558 576 HE3 LYS 74 1HE LYS 74 3.827 5.600 -12.386 577 HZ1 LYS 74 3HZ LYS 74 1.565 5.012 -14.216 578 HZ2 LYS 74 1HZ LYS 74 3.032 4.176 -14.117 579 HZ3 LYS 74 2HZ LYS 74 3.001 5.766 -14.686 580 H HIS 75 H HIS 75 -0.470 8.083 -8.633 581 HA HIS 75 HA HIS 75 0.161 10.823 -9.186 582 HB2 HIS 75 2HB HIS 75 -2.466 9.519 -8.422 583 HB3 HIS 75 1HB HIS 75 -2.292 11.189 -8.959 584 HD1 HIS 75 HD1 HIS 75 -1.873 11.589 -11.482 585 HD2 HIS 75 HD2 HIS 75 -2.210 7.579 -10.451 586 HE1 HIS 75 HE1 HIS 75 -2.063 10.351 -13.654 587 HE2 HIS 75 HE2 HIS 75 -2.445 7.953 -12.997 588 H PHE 76 H PHE 76 -0.431 8.982 -6.289 589 HA PHE 76 HA PHE 76 -0.907 11.037 -4.446 590 HB2 PHE 76 2HB PHE 76 -1.122 8.705 -3.808 591 HB3 PHE 76 1HB PHE 76 0.588 8.424 -4.101 592 HD1 PHE 76 HD1 PHE 76 -1.769 10.310 -1.930 593 HD2 PHE 76 HD2 PHE 76 2.162 8.724 -2.382 594 HE1 PHE 76 HE1 PHE 76 -1.282 10.841 0.423 595 HE2 PHE 76 HE2 PHE 76 2.648 9.254 -0.031 596 HZ PHE 76 HZ PHE 76 0.925 10.313 1.376 597 H LYS 77 H LYS 77 2.237 9.593 -5.397 598 HA LYS 77 HA LYS 77 3.778 11.538 -3.993 599 HB2 LYS 77 2HB LYS 77 4.452 9.490 -6.091 600 HB3 LYS 77 1HB LYS 77 5.656 10.648 -5.548 601 HG2 LYS 77 2HG LYS 77 4.176 8.882 -3.612 602 HG3 LYS 77 1HG LYS 77 5.632 8.342 -4.444 603 HD2 LYS 77 2HD LYS 77 6.400 9.152 -2.376 604 HD3 LYS 77 1HD LYS 77 6.750 10.449 -3.515 605 HE2 LYS 77 2HE LYS 77 4.629 11.563 -2.774 606 HE3 LYS 77 1HE LYS 77 4.464 10.316 -1.541 607 HZ1 LYS 77 3HZ LYS 77 6.576 11.029 -0.596 608 HZ2 LYS 77 1HZ LYS 77 5.479 12.314 -0.645 609 HZ3 LYS 77 2HZ LYS 77 6.727 12.227 -1.780 610 H LYS 78 H LYS 78 2.368 11.484 -7.189 611 HA LYS 78 HA LYS 78 3.800 13.804 -8.112 612 HB2 LYS 78 2HB LYS 78 1.444 12.237 -9.113 613 HB3 LYS 78 1HB LYS 78 1.772 13.825 -9.792 614 HG2 LYS 78 2HG LYS 78 4.105 12.020 -9.661 615 HG3 LYS 78 1HG LYS 78 2.810 11.503 -10.740 616 HD2 LYS 78 2HD LYS 78 4.530 12.885 -11.877 617 HD3 LYS 78 1HD LYS 78 2.915 13.579 -11.962 618 HE2 LYS 78 2HE LYS 78 4.538 15.320 -11.514 619 HE3 LYS 78 1HE LYS 78 3.499 15.106 -10.106 620 HZ1 LYS 78 3HZ LYS 78 6.294 14.186 -10.448 621 HZ2 LYS 78 1HZ LYS 78 5.309 13.671 -9.175 622 HZ3 LYS 78 2HZ LYS 78 5.702 15.304 -9.328 623 H THR 79 H THR 79 1.310 13.381 -5.877 624 HA THR 79 HA THR 79 0.421 16.178 -6.103 625 HB THR 79 HB THR 79 -0.522 13.973 -4.237 626 HG1 THR 79 HG1 THR 79 -1.296 13.569 -6.277 627 HG21 THR 79 3HG2 THR 79 -2.355 15.505 -3.653 628 HG22 THR 79 1HG2 THR 79 -1.617 16.766 -4.639 629 HG23 THR 79 2HG2 THR 79 -0.788 16.176 -3.197 630 H LYS 80 H LYS 80 2.199 14.001 -3.969 631 HA LYS 80 HA LYS 80 3.216 16.359 -2.501 632 HB2 LYS 80 2HB LYS 80 3.190 13.489 -1.526 633 HB3 LYS 80 1HB LYS 80 3.646 14.913 -0.600 634 HG2 LYS 80 2HG LYS 80 1.339 15.727 -0.707 635 HG3 LYS 80 1HG LYS 80 0.882 14.314 -1.656 636 HD2 LYS 80 2HD LYS 80 0.231 13.675 0.467 637 HD3 LYS 80 1HD LYS 80 1.844 12.972 0.373 638 HE2 LYS 80 2HE LYS 80 1.089 15.572 1.719 639 HE3 LYS 80 1HE LYS 80 1.496 14.060 2.526 640 HZ1 LYS 80 3HZ LYS 80 3.313 15.752 0.903 641 HZ2 LYS 80 1HZ LYS 80 3.735 14.234 1.521 642 HZ3 LYS 80 2HZ LYS 80 3.374 15.507 2.571 643 H ASP 81 H ASP 81 4.781 16.693 -4.195 644 HA ASP 81 HA ASP 81 6.490 14.694 -5.209 645 HB2 ASP 81 2HB ASP 81 6.892 17.696 -5.133 646 HB3 ASP 81 1HB ASP 81 7.794 16.571 -6.146 647 H MET 82 H MET 82 7.279 17.340 -2.946 648 HA MET 82 HA MET 82 9.920 16.572 -2.422 649 HB2 MET 82 2HB MET 82 9.025 18.789 -1.875 650 HB3 MET 82 1HB MET 82 7.984 18.085 -0.648 651 HG2 MET 82 2HG MET 82 9.935 17.417 0.646 652 HG3 MET 82 1HG MET 82 10.999 18.074 -0.598 653 HE1 MET 82 3HE MET 82 11.458 20.621 2.345 654 HE2 MET 82 1HE MET 82 12.287 19.594 1.175 655 HE3 MET 82 2HE MET 82 11.287 18.868 2.435 656 H MET 83 H MET 83 7.076 16.072 -0.310 657 HA MET 83 HA MET 83 7.798 13.389 0.351 658 HB2 MET 83 2HB MET 83 9.466 14.787 1.695 659 HB3 MET 83 1HB MET 83 8.093 15.367 2.626 660 HG2 MET 83 2HG MET 83 8.992 12.497 2.398 661 HG3 MET 83 1HG MET 83 9.258 13.564 3.775 662 HE1 MET 83 3HE MET 83 8.228 11.773 5.428 663 HE2 MET 83 1HE MET 83 7.990 10.676 4.065 664 HE3 MET 83 2HE MET 83 6.662 11.001 5.179 Start of MODEL 10 1 H1 MET 1 1H MET 1 2.959 5.011 10.646 2 H2 MET 1 2H MET 1 4.105 3.829 10.250 3 H3 MET 1 3H MET 1 4.341 5.426 9.761 4 HA MET 1 HA MET 1 4.540 6.142 12.050 5 HB2 MET 1 2HB MET 1 3.069 4.333 12.949 6 HB3 MET 1 1HB MET 1 4.376 3.186 12.694 7 HG2 MET 1 2HG MET 1 5.770 4.452 14.280 8 HG3 MET 1 1HG MET 1 4.423 5.557 14.558 9 HE1 MET 1 3HE MET 1 4.436 3.616 17.921 10 HE2 MET 1 1HE MET 1 4.422 5.196 17.140 11 HE3 MET 1 2HE MET 1 5.833 4.151 16.988 12 H GLY 2 H GLY 2 5.967 2.884 11.772 13 HA2 GLY 2 2HA GLY 2 8.097 2.183 11.298 14 HA3 GLY 2 1HA GLY 2 8.372 3.735 10.533 15 H HIS 3 H HIS 3 10.205 2.169 12.090 16 HA HIS 3 HA HIS 3 11.043 4.308 13.924 17 HB2 HIS 3 2HB HIS 3 10.995 1.355 14.607 18 HB3 HIS 3 1HB HIS 3 11.922 2.547 15.513 19 HD1 HIS 3 HD1 HIS 3 8.565 1.102 15.219 20 HD2 HIS 3 HD2 HIS 3 10.278 4.512 16.862 21 HE1 HIS 3 HE1 HIS 3 6.834 2.043 16.769 22 HE2 HIS 3 HE2 HIS 3 7.945 4.021 17.852 23 H HIS 4 H HIS 4 12.174 1.135 12.769 24 HA HIS 4 HA HIS 4 14.656 2.408 11.823 25 HB2 HIS 4 2HB HIS 4 15.418 -0.079 11.667 26 HB3 HIS 4 1HB HIS 4 15.333 0.686 13.248 27 HD1 HIS 4 HD1 HIS 4 13.547 -0.159 14.891 28 HD2 HIS 4 HD2 HIS 4 13.520 -2.132 11.230 29 HE1 HIS 4 HE1 HIS 4 12.066 -2.163 15.213 30 HE2 HIS 4 HE2 HIS 4 12.061 -3.341 12.990 31 H HIS 5 H HIS 5 14.383 3.047 9.772 32 HA HIS 5 HA HIS 5 13.052 1.207 7.870 33 HB2 HIS 5 2HB HIS 5 12.143 3.168 6.695 34 HB3 HIS 5 1HB HIS 5 11.603 3.129 8.370 35 HD1 HIS 5 HD1 HIS 5 12.326 5.046 9.897 36 HD2 HIS 5 HD2 HIS 5 13.960 5.286 6.081 37 HE1 HIS 5 HE1 HIS 5 13.352 7.324 9.749 38 HE2 HIS 5 HE2 HIS 5 14.196 7.504 7.386 39 H HIS 6 H HIS 6 13.825 1.207 5.704 40 HA HIS 6 HA HIS 6 16.254 2.738 5.102 41 HB2 HIS 6 2HB HIS 6 16.139 -0.287 4.909 42 HB3 HIS 6 1HB HIS 6 17.453 0.718 4.308 43 HD1 HIS 6 HD1 HIS 6 16.433 -1.178 7.194 44 HD2 HIS 6 HD2 HIS 6 18.788 2.180 6.525 45 HE1 HIS 6 HE1 HIS 6 17.827 -0.915 9.261 46 HE2 HIS 6 HE2 HIS 6 19.362 1.014 8.761 47 H HIS 7 H HIS 7 16.639 3.043 2.867 48 HA HIS 7 HA HIS 7 14.485 2.181 1.085 49 HB2 HIS 7 2HB HIS 7 15.468 3.660 -0.599 50 HB3 HIS 7 1HB HIS 7 15.218 4.521 0.909 51 HD1 HIS 7 HD1 HIS 7 17.369 5.210 2.248 52 HD2 HIS 7 HD2 HIS 7 18.095 3.558 -1.495 53 HE1 HIS 7 HE1 HIS 7 19.755 5.758 1.723 54 HE2 HIS 7 HE2 HIS 7 20.116 4.901 -0.611 55 H HIS 8 H HIS 8 14.753 0.030 0.702 56 HA HIS 8 HA HIS 8 17.368 -1.106 0.262 57 HB2 HIS 8 2HB HIS 8 15.400 -2.261 1.414 58 HB3 HIS 8 1HB HIS 8 14.726 -2.502 -0.195 59 HD1 HIS 8 HD1 HIS 8 16.796 -4.123 2.233 60 HD2 HIS 8 HD2 HIS 8 16.693 -3.997 -1.920 61 HE1 HIS 8 HE1 HIS 8 18.131 -6.104 1.467 62 HE2 HIS 8 HE2 HIS 8 18.172 -5.927 -1.038 63 H SER 9 H SER 9 14.609 -0.233 -1.759 64 HA SER 9 HA SER 9 16.282 -0.338 -4.129 65 HB2 SER 9 2HB SER 9 14.703 -1.755 -5.408 66 HB3 SER 9 1HB SER 9 15.411 -2.629 -4.050 67 HG SER 9 HG SER 9 12.827 -2.152 -4.590 68 H HIS 10 H HIS 10 14.590 0.148 -6.128 69 HA HIS 10 HA HIS 10 13.677 2.815 -5.487 70 HB2 HIS 10 2HB HIS 10 13.578 1.274 -8.099 71 HB3 HIS 10 1HB HIS 10 13.189 2.983 -7.914 72 HD1 HIS 10 HD1 HIS 10 15.081 4.472 -8.528 73 HD2 HIS 10 HD2 HIS 10 16.414 0.806 -7.094 74 HE1 HIS 10 HE1 HIS 10 17.582 4.556 -8.683 75 HE2 HIS 10 HE2 HIS 10 18.365 2.393 -7.665 76 H MET 11 H MET 11 12.005 2.211 -3.980 77 HA MET 11 HA MET 11 9.720 0.689 -4.853 78 HB2 MET 11 2HB MET 11 10.612 0.646 -2.533 79 HB3 MET 11 1HB MET 11 10.111 2.317 -2.333 80 HG2 MET 11 2HG MET 11 7.778 1.659 -2.642 81 HG3 MET 11 1HG MET 11 8.277 -0.019 -2.853 82 HE1 MET 11 3HE MET 11 6.073 0.884 -0.736 83 HE2 MET 11 1HE MET 11 6.549 -0.085 0.658 84 HE3 MET 11 2HE MET 11 6.595 -0.786 -0.960 85 H LEU 12 H LEU 12 10.554 4.051 -4.876 86 HA LEU 12 HA LEU 12 8.020 5.233 -4.700 87 HB2 LEU 12 2HB LEU 12 10.431 6.189 -6.253 88 HB3 LEU 12 1HB LEU 12 9.016 7.163 -5.901 89 HG LEU 12 HG LEU 12 10.933 6.029 -3.853 90 HD11 LEU 12 1HD1 LEU 12 11.910 7.852 -5.150 91 HD12 LEU 12 2HD1 LEU 12 11.590 8.356 -3.491 92 HD13 LEU 12 3HD1 LEU 12 10.513 8.870 -4.791 93 HD21 LEU 12 3HD2 LEU 12 8.660 6.151 -2.971 94 HD22 LEU 12 1HD2 LEU 12 8.538 7.835 -3.486 95 HD23 LEU 12 2HD2 LEU 12 9.686 7.377 -2.229 96 HA PRO 13 HA PRO 13 7.437 4.602 -9.439 97 HB2 PRO 13 2HB PRO 13 9.518 2.776 -10.369 98 HB3 PRO 13 1HB PRO 13 9.104 4.381 -10.973 99 HG2 PRO 13 2HG PRO 13 11.426 3.853 -9.662 100 HG3 PRO 13 1HG PRO 13 10.621 5.434 -9.605 101 HD2 PRO 13 2HD PRO 13 10.572 3.209 -7.589 102 HD3 PRO 13 1HD PRO 13 10.749 4.958 -7.330 103 HA PRO 14 HA PRO 14 5.474 0.612 -8.881 104 HB2 PRO 14 2HB PRO 14 5.204 0.289 -11.799 105 HB3 PRO 14 1HB PRO 14 3.945 0.489 -10.575 106 HG2 PRO 14 2HG PRO 14 4.533 2.438 -12.333 107 HG3 PRO 14 1HG PRO 14 4.036 2.799 -10.669 108 HD2 PRO 14 2HD PRO 14 6.793 2.781 -11.864 109 HD3 PRO 14 1HD PRO 14 6.058 3.956 -10.751 110 H GLU 15 H GLU 15 7.842 -0.048 -8.354 111 HA GLU 15 HA GLU 15 9.417 -1.425 -10.250 112 HB2 GLU 15 2HB GLU 15 10.337 -0.495 -8.169 113 HB3 GLU 15 1HB GLU 15 9.407 -1.656 -7.230 114 HG2 GLU 15 2HG GLU 15 10.673 -3.491 -8.278 115 HG3 GLU 15 1HG GLU 15 11.625 -2.303 -9.167 116 H GLN 16 H GLN 16 7.903 -2.981 -7.404 117 HA GLN 16 HA GLN 16 7.206 -5.277 -9.134 118 HB2 GLN 16 2HB GLN 16 8.226 -5.328 -6.282 119 HB3 GLN 16 1HB GLN 16 7.573 -6.730 -7.120 120 HG2 GLN 16 2HG GLN 16 9.358 -6.536 -8.801 121 HG3 GLN 16 1HG GLN 16 10.026 -5.166 -7.913 122 HE21 GLN 16 1HE2 GLN 16 11.985 -6.259 -7.568 123 HE22 GLN 16 2HE2 GLN 16 12.115 -7.561 -6.440 124 H TRP 17 H TRP 17 6.503 -4.516 -5.730 125 HA TRP 17 HA TRP 17 4.580 -4.419 -4.531 126 HB2 TRP 17 2HB TRP 17 3.477 -3.334 -7.135 127 HB3 TRP 17 1HB TRP 17 2.628 -3.281 -5.596 128 HD1 TRP 17 HD TRP 17 5.717 -1.767 -7.347 129 HE1 TRP 17 HE1 TRP 17 6.329 0.430 -6.146 130 HE3 TRP 17 HE3 TRP 17 2.420 -2.021 -3.443 131 HZ2 TRP 17 HZ2 TRP 17 5.522 1.861 -3.865 132 HZ3 TRP 17 HZ3 TRP 17 2.405 -0.192 -1.795 133 HH2 TRP 17 HH TRP 17 3.925 1.709 -2.002 134 H SER 18 H SER 18 4.321 -6.636 -4.157 135 HA SER 18 HA SER 18 2.082 -7.874 -5.590 136 HB2 SER 18 2HB SER 18 3.273 -10.011 -5.840 137 HB3 SER 18 1HB SER 18 4.114 -8.723 -6.702 138 HG SER 18 HG SER 18 5.746 -9.549 -5.619 139 H HIS 19 H HIS 19 2.566 -10.461 -4.275 140 HA HIS 19 HA HIS 19 0.733 -10.332 -2.277 141 HB2 HIS 19 2HB HIS 19 1.491 -12.405 -3.323 142 HB3 HIS 19 1HB HIS 19 3.028 -12.289 -2.477 143 HD1 HIS 19 HD1 HIS 19 3.142 -13.683 -0.429 144 HD2 HIS 19 HD2 HIS 19 -0.766 -12.597 -1.323 145 HE1 HIS 19 HE1 HIS 19 1.717 -14.853 1.266 146 HE2 HIS 19 HE2 HIS 19 -0.643 -14.381 0.548 147 H THR 20 H THR 20 4.275 -10.284 -1.686 148 HA THR 20 HA THR 20 3.818 -9.812 1.160 149 HB THR 20 HB THR 20 6.413 -10.064 -0.385 150 HG1 THR 20 HG1 THR 20 6.394 -12.133 0.248 151 HG21 THR 20 3HG2 THR 20 6.717 -8.699 1.634 152 HG22 THR 20 1HG2 THR 20 7.493 -10.273 1.809 153 HG23 THR 20 2HG2 THR 20 5.951 -9.958 2.603 154 H THR 21 H THR 21 5.428 -8.116 -1.539 155 HA THR 21 HA THR 21 6.483 -5.929 -0.299 156 HB THR 21 HB THR 21 5.000 -5.680 -2.924 157 HG1 THR 21 HG1 THR 21 7.691 -6.576 -2.610 158 HG21 THR 21 3HG2 THR 21 7.489 -4.316 -1.873 159 HG22 THR 21 1HG2 THR 21 5.893 -3.582 -2.036 160 HG23 THR 21 2HG2 THR 21 6.786 -4.084 -3.472 161 H VAL 22 H VAL 22 3.111 -6.181 -1.446 162 HA VAL 22 HA VAL 22 2.430 -3.518 -0.642 163 HB VAL 22 HB VAL 22 0.603 -5.826 -1.363 164 HG11 VAL 22 1HG1 VAL 22 -0.568 -4.070 -0.118 165 HG12 VAL 22 2HG1 VAL 22 -1.080 -4.103 -1.805 166 HG13 VAL 22 3HG1 VAL 22 0.038 -2.857 -1.248 167 HG21 VAL 22 3HG2 VAL 22 0.520 -4.783 -3.588 168 HG22 VAL 22 1HG2 VAL 22 2.157 -5.285 -3.168 169 HG23 VAL 22 2HG2 VAL 22 1.703 -3.583 -3.069 170 H ARG 23 H ARG 23 2.079 -6.711 0.843 171 HA ARG 23 HA ARG 23 0.245 -5.975 2.862 172 HB2 ARG 23 2HB ARG 23 0.812 -8.331 2.145 173 HB3 ARG 23 1HB ARG 23 2.312 -8.180 3.052 174 HG2 ARG 23 2HG ARG 23 1.101 -7.914 5.123 175 HG3 ARG 23 1HG ARG 23 -0.436 -7.861 4.257 176 HD2 ARG 23 2HD ARG 23 -0.287 -10.042 5.130 177 HD3 ARG 23 1HD ARG 23 0.118 -10.200 3.423 178 HE ARG 23 HE ARG 23 2.036 -10.311 5.660 179 HH11 ARG 23 1HH1 ARG 23 1.262 -10.945 2.361 180 HH12 ARG 23 2HH1 ARG 23 2.600 -12.019 2.144 181 HH21 ARG 23 1HH2 ARG 23 3.731 -11.707 5.364 182 HH22 ARG 23 2HH2 ARG 23 3.973 -12.455 3.822 183 H ASN 24 H ASN 24 3.804 -6.120 2.867 184 HA ASN 24 HA ASN 24 4.069 -5.148 5.551 185 HB2 ASN 24 2HB ASN 24 6.045 -5.316 3.265 186 HB3 ASN 24 1HB ASN 24 6.475 -4.793 4.891 187 HD21 ASN 24 1HD2 ASN 24 6.543 -6.300 6.546 188 HD22 ASN 24 2HD2 ASN 24 6.516 -8.002 6.248 189 H ALA 25 H ALA 25 3.969 -3.625 2.380 190 HA ALA 25 HA ALA 25 4.896 -1.067 3.105 191 HB1 ALA 25 3HB ALA 25 4.716 -1.827 0.783 192 HB2 ALA 25 1HB ALA 25 3.881 -0.292 1.033 193 HB3 ALA 25 2HB ALA 25 2.957 -1.788 0.909 194 H LEU 26 H LEU 26 1.496 -2.072 2.550 195 HA LEU 26 HA LEU 26 0.433 0.361 3.575 196 HB2 LEU 26 2HB LEU 26 -0.911 -2.299 3.080 197 HB3 LEU 26 1HB LEU 26 -1.757 -0.808 3.463 198 HG LEU 26 HG LEU 26 -0.111 -1.345 0.979 199 HD11 LEU 26 1HD1 LEU 26 -2.244 -1.171 -0.195 200 HD12 LEU 26 2HD1 LEU 26 -3.082 -0.960 1.344 201 HD13 LEU 26 3HD1 LEU 26 -2.267 -2.482 0.984 202 HD21 LEU 26 3HD2 LEU 26 -1.659 1.137 1.755 203 HD22 LEU 26 1HD2 LEU 26 -0.843 0.857 0.215 204 HD23 LEU 26 2HD2 LEU 26 0.098 0.994 1.697 205 H LYS 27 H LYS 27 1.465 -2.539 5.134 206 HA LYS 27 HA LYS 27 -0.156 -2.693 7.372 207 HB2 LYS 27 2HB LYS 27 1.569 -4.346 6.854 208 HB3 LYS 27 1HB LYS 27 2.831 -3.172 7.200 209 HG2 LYS 27 2HG LYS 27 2.600 -4.698 9.057 210 HG3 LYS 27 1HG LYS 27 2.079 -3.086 9.548 211 HD2 LYS 27 2HD LYS 27 -0.276 -3.769 9.173 212 HD3 LYS 27 1HD LYS 27 0.287 -5.395 8.778 213 HE2 LYS 27 2HE LYS 27 1.264 -5.581 11.033 214 HE3 LYS 27 1HE LYS 27 0.651 -3.973 11.417 215 HZ1 LYS 27 3HZ LYS 27 -1.599 -4.804 11.043 216 HZ2 LYS 27 1HZ LYS 27 -0.817 -5.663 12.270 217 HZ3 LYS 27 2HZ LYS 27 -0.989 -6.350 10.738 218 H ASP 28 H ASP 28 2.833 -0.773 7.039 219 HA ASP 28 HA ASP 28 2.865 0.251 9.652 220 HB2 ASP 28 2HB ASP 28 4.828 0.275 8.196 221 HB3 ASP 28 1HB ASP 28 4.038 1.422 7.118 222 H LEU 29 H LEU 29 1.245 1.438 6.757 223 HA LEU 29 HA LEU 29 0.456 3.941 7.972 224 HB2 LEU 29 2HB LEU 29 -0.368 2.618 5.382 225 HB3 LEU 29 1HB LEU 29 -0.942 4.190 5.895 226 HG LEU 29 HG LEU 29 0.793 4.539 4.292 227 HD11 LEU 29 1HD1 LEU 29 0.780 6.090 6.168 228 HD12 LEU 29 2HD1 LEU 29 2.414 5.849 5.551 229 HD13 LEU 29 3HD1 LEU 29 1.912 5.057 7.045 230 HD21 LEU 29 3HD2 LEU 29 2.596 2.807 5.989 231 HD22 LEU 29 1HD2 LEU 29 3.052 3.661 4.514 232 HD23 LEU 29 2HD2 LEU 29 1.881 2.344 4.444 233 H LEU 30 H LEU 30 -1.087 0.843 7.230 234 HA LEU 30 HA LEU 30 -3.729 1.541 7.904 235 HB2 LEU 30 2HB LEU 30 -3.022 -0.474 6.601 236 HB3 LEU 30 1HB LEU 30 -2.442 -1.189 8.095 237 HG LEU 30 HG LEU 30 -4.754 -1.129 8.998 238 HD11 LEU 30 1HD1 LEU 30 -5.607 0.753 7.695 239 HD12 LEU 30 2HD1 LEU 30 -6.628 -0.670 7.500 240 HD13 LEU 30 3HD1 LEU 30 -5.505 -0.208 6.220 241 HD21 LEU 30 3HD2 LEU 30 -3.884 -3.147 7.897 242 HD22 LEU 30 1HD2 LEU 30 -4.504 -2.567 6.351 243 HD23 LEU 30 2HD2 LEU 30 -5.621 -2.967 7.657 244 H LYS 31 H LYS 31 -1.002 0.603 9.870 245 HA LYS 31 HA LYS 31 -2.253 0.013 12.295 246 HB2 LYS 31 2HB LYS 31 0.360 1.408 11.698 247 HB3 LYS 31 1HB LYS 31 -0.141 1.010 13.336 248 HG2 LYS 31 2HG LYS 31 -0.114 -1.342 12.834 249 HG3 LYS 31 1HG LYS 31 0.195 -1.019 11.127 250 HD2 LYS 31 2HD LYS 31 2.231 -1.704 12.387 251 HD3 LYS 31 1HD LYS 31 2.375 -0.119 11.627 252 HE2 LYS 31 2HE LYS 31 3.307 -0.089 13.883 253 HE3 LYS 31 1HE LYS 31 1.893 0.957 13.781 254 HZ1 LYS 31 3HZ LYS 31 1.892 -1.804 14.872 255 HZ2 LYS 31 1HZ LYS 31 0.572 -0.748 14.834 256 HZ3 LYS 31 2HZ LYS 31 1.912 -0.393 15.801 257 H ASP 32 H ASP 32 -1.769 3.088 10.701 258 HA ASP 32 HA ASP 32 -2.593 4.570 13.096 259 HB2 ASP 32 2HB ASP 32 -0.530 5.077 11.511 260 HB3 ASP 32 1HB ASP 32 -1.750 5.909 10.553 261 H MET 33 H MET 33 -3.527 4.101 9.691 262 HA MET 33 HA MET 33 -5.923 5.756 10.099 263 HB2 MET 33 2HB MET 33 -6.187 5.705 7.675 264 HB3 MET 33 1HB MET 33 -4.565 6.225 8.109 265 HG2 MET 33 2HG MET 33 -3.717 3.983 7.606 266 HG3 MET 33 1HG MET 33 -5.345 3.471 7.165 267 HE1 MET 33 3HE MET 33 -6.405 6.145 5.682 268 HE2 MET 33 1HE MET 33 -6.703 4.512 5.085 269 HE3 MET 33 2HE MET 33 -6.031 5.736 4.008 270 H ASN 34 H ASN 34 -8.025 5.013 9.552 271 HA ASN 34 HA ASN 34 -8.594 2.396 10.482 272 HB2 ASN 34 2HB ASN 34 -10.423 4.365 9.085 273 HB3 ASN 34 1HB ASN 34 -10.941 2.944 9.989 274 HD21 ASN 34 1HD2 ASN 34 -12.121 4.092 11.465 275 HD22 ASN 34 2HD2 ASN 34 -11.403 5.111 12.660 276 H GLN 35 H GLN 35 -9.391 0.584 9.427 277 HA GLN 35 HA GLN 35 -8.460 0.025 6.831 278 HB2 GLN 35 2HB GLN 35 -10.642 -1.408 8.373 279 HB3 GLN 35 1HB GLN 35 -9.769 -2.051 6.985 280 HG2 GLN 35 2HG GLN 35 -7.674 -1.928 8.289 281 HG3 GLN 35 1HG GLN 35 -8.603 -1.376 9.682 282 HE21 GLN 35 1HE2 GLN 35 -9.728 -3.798 7.418 283 HE22 GLN 35 2HE2 GLN 35 -9.662 -5.126 8.514 284 H SER 36 H SER 36 -11.729 0.845 7.990 285 HA SER 36 HA SER 36 -13.075 0.729 5.531 286 HB2 SER 36 2HB SER 36 -14.274 0.963 7.654 287 HB3 SER 36 1HB SER 36 -13.598 2.575 7.881 288 HG SER 36 HG SER 36 -15.841 2.193 6.858 289 H SER 37 H SER 37 -11.121 3.316 6.942 290 HA SER 37 HA SER 37 -11.685 5.325 5.031 291 HB2 SER 37 2HB SER 37 -10.595 5.914 7.118 292 HB3 SER 37 1HB SER 37 -9.214 4.885 6.734 293 HG SER 37 HG SER 37 -10.005 7.317 5.514 294 H LEU 38 H LEU 38 -9.069 2.911 5.197 295 HA LEU 38 HA LEU 38 -7.794 3.625 2.784 296 HB2 LEU 38 2HB LEU 38 -6.787 2.209 4.556 297 HB3 LEU 38 1HB LEU 38 -7.887 0.915 4.124 298 HG LEU 38 HG LEU 38 -6.845 0.781 1.885 299 HD11 LEU 38 1HD1 LEU 38 -6.103 3.080 1.646 300 HD12 LEU 38 2HD1 LEU 38 -4.748 1.972 1.444 301 HD13 LEU 38 3HD1 LEU 38 -4.940 2.864 2.954 302 HD21 LEU 38 3HD2 LEU 38 -4.744 -0.234 2.588 303 HD22 LEU 38 1HD2 LEU 38 -6.041 -0.652 3.707 304 HD23 LEU 38 2HD2 LEU 38 -4.856 0.577 4.151 305 H ALA 39 H ALA 39 -10.446 1.385 3.474 306 HA ALA 39 HA ALA 39 -10.703 0.249 0.901 307 HB1 ALA 39 3HB ALA 39 -12.930 -0.436 1.616 308 HB2 ALA 39 1HB ALA 39 -12.853 0.681 2.980 309 HB3 ALA 39 2HB ALA 39 -11.756 -0.699 2.906 310 H LYS 40 H LYS 40 -11.633 3.350 2.138 311 HA LYS 40 HA LYS 40 -13.323 3.939 -0.177 312 HB2 LYS 40 2HB LYS 40 -12.614 5.552 2.284 313 HB3 LYS 40 1HB LYS 40 -13.635 6.151 0.981 314 HG2 LYS 40 2HG LYS 40 -15.274 4.433 1.407 315 HG3 LYS 40 1HG LYS 40 -14.226 3.685 2.614 316 HD2 LYS 40 2HD LYS 40 -14.412 5.656 4.032 317 HD3 LYS 40 1HD LYS 40 -15.384 6.474 2.806 318 HE2 LYS 40 2HE LYS 40 -16.765 5.539 4.621 319 HE3 LYS 40 1HE LYS 40 -17.148 4.825 3.055 320 HZ1 LYS 40 3HZ LYS 40 -15.504 3.600 5.206 321 HZ2 LYS 40 1HZ LYS 40 -15.729 2.925 3.670 322 HZ3 LYS 40 2HZ LYS 40 -17.047 3.117 4.707 323 H GLU 41 H GLU 41 -10.122 3.828 0.326 324 HA GLU 41 HA GLU 41 -9.541 6.068 -1.516 325 HB2 GLU 41 2HB GLU 41 -7.765 4.681 0.508 326 HB3 GLU 41 1HB GLU 41 -7.164 5.806 -0.701 327 HG2 GLU 41 2HG GLU 41 -9.150 6.455 1.468 328 HG3 GLU 41 1HG GLU 41 -7.435 6.867 1.475 329 H CYS 42 H CYS 42 -7.979 2.981 -0.650 330 HA CYS 42 HA CYS 42 -7.057 2.559 -3.345 331 HB2 CYS 42 2HB CYS 42 -6.018 0.537 -2.474 332 HB3 CYS 42 1HB CYS 42 -5.727 1.871 -1.361 333 HG CYS 42 HG CYS 42 -8.466 0.406 -0.381 334 HA PRO 43 HA PRO 43 -10.534 0.357 -5.063 335 HB2 PRO 43 2HB PRO 43 -8.441 -1.366 -6.325 336 HB3 PRO 43 1HB PRO 43 -9.797 -0.506 -7.067 337 HG2 PRO 43 2HG PRO 43 -7.330 0.442 -7.311 338 HG3 PRO 43 1HG PRO 43 -8.692 1.546 -7.030 339 HD2 PRO 43 2HD PRO 43 -6.610 0.571 -5.106 340 HD3 PRO 43 1HD PRO 43 -7.336 2.185 -5.259 341 H LEU 44 H LEU 44 -8.358 -1.085 -2.894 342 HA LEU 44 HA LEU 44 -9.636 -3.701 -2.889 343 HB2 LEU 44 2HB LEU 44 -7.541 -2.538 -1.039 344 HB3 LEU 44 1HB LEU 44 -8.078 -4.208 -1.049 345 HG LEU 44 HG LEU 44 -6.599 -2.816 -3.295 346 HD11 LEU 44 1HD1 LEU 44 -4.750 -4.304 -2.716 347 HD12 LEU 44 2HD1 LEU 44 -5.682 -4.949 -1.364 348 HD13 LEU 44 3HD1 LEU 44 -5.177 -3.257 -1.361 349 HD21 LEU 44 3HD2 LEU 44 -7.475 -5.699 -3.048 350 HD22 LEU 44 1HD2 LEU 44 -6.492 -5.018 -4.344 351 HD23 LEU 44 2HD2 LEU 44 -8.165 -4.500 -4.141 352 H SER 45 H SER 45 -11.471 -4.062 -1.813 353 HA SER 45 HA SER 45 -12.632 -2.123 -0.068 354 HB2 SER 45 2HB SER 45 -14.029 -3.547 -1.496 355 HB3 SER 45 1HB SER 45 -13.496 -4.976 -0.610 356 HG SER 45 HG SER 45 -15.426 -4.375 0.282 357 H GLN 46 H GLN 46 -13.496 -2.655 2.116 358 HA GLN 46 HA GLN 46 -11.403 -2.965 3.905 359 HB2 GLN 46 2HB GLN 46 -13.584 -1.851 4.375 360 HB3 GLN 46 1HB GLN 46 -14.333 -3.437 4.496 361 HG2 GLN 46 2HG GLN 46 -12.826 -3.968 6.383 362 HG3 GLN 46 1HG GLN 46 -12.164 -2.338 6.280 363 HE21 GLN 46 1HE2 GLN 46 -15.552 -3.175 5.837 364 HE22 GLN 46 2HE2 GLN 46 -16.111 -2.366 7.260 365 H SER 47 H SER 47 -13.893 -5.373 3.050 366 HA SER 47 HA SER 47 -13.020 -7.438 4.740 367 HB2 SER 47 2HB SER 47 -14.376 -7.714 2.038 368 HB3 SER 47 1HB SER 47 -14.280 -8.967 3.276 369 HG SER 47 HG SER 47 -16.145 -7.174 3.013 370 H MET 48 H MET 48 -11.985 -6.553 1.479 371 HA MET 48 HA MET 48 -10.283 -8.790 1.047 372 HB2 MET 48 2HB MET 48 -10.239 -6.018 -0.171 373 HB3 MET 48 1HB MET 48 -9.258 -7.364 -0.738 374 HG2 MET 48 2HG MET 48 -11.261 -8.613 -1.314 375 HG3 MET 48 1HG MET 48 -12.272 -7.310 -0.690 376 HE1 MET 48 3HE MET 48 -12.725 -7.222 -4.631 377 HE2 MET 48 1HE MET 48 -13.545 -7.469 -3.089 378 HE3 MET 48 2HE MET 48 -12.389 -8.665 -3.674 379 H ILE 49 H ILE 49 -9.708 -5.527 2.312 380 HA ILE 49 HA ILE 49 -6.960 -5.610 2.719 381 HB ILE 49 HB ILE 49 -9.042 -4.324 4.513 382 HG12 ILE 49 2HG1 ILE 49 -7.470 -3.166 2.184 383 HG13 ILE 49 1HG1 ILE 49 -9.176 -3.603 2.141 384 HG21 ILE 49 1HG2 ILE 49 -6.878 -4.494 5.638 385 HG22 ILE 49 2HG2 ILE 49 -7.228 -2.818 5.219 386 HG23 ILE 49 3HG2 ILE 49 -6.081 -3.745 4.253 387 HD11 ILE 49 3HD1 ILE 49 -7.936 -1.464 3.856 388 HD12 ILE 49 1HD1 ILE 49 -9.645 -1.905 3.841 389 HD13 ILE 49 2HD1 ILE 49 -8.899 -1.216 2.400 390 H SER 50 H SER 50 -9.467 -6.404 5.149 391 HA SER 50 HA SER 50 -7.786 -7.507 7.093 392 HB2 SER 50 2HB SER 50 -10.642 -8.340 6.483 393 HB3 SER 50 1HB SER 50 -9.786 -8.589 8.005 394 HG SER 50 HG SER 50 -11.281 -6.631 7.600 395 H SER 51 H SER 51 -9.335 -9.016 4.303 396 HA SER 51 HA SER 51 -8.830 -11.709 4.906 397 HB2 SER 51 2HB SER 51 -10.396 -10.957 3.146 398 HB3 SER 51 1HB SER 51 -9.031 -10.432 2.163 399 HG SER 51 HG SER 51 -8.612 -12.964 2.876 400 H ILE 52 H ILE 52 -6.725 -9.269 3.554 401 HA ILE 52 HA ILE 52 -4.683 -11.280 2.894 402 HB ILE 52 HB ILE 52 -4.723 -8.306 2.320 403 HG12 ILE 52 2HG1 ILE 52 -5.164 -10.682 0.479 404 HG13 ILE 52 1HG1 ILE 52 -6.417 -9.586 1.052 405 HG21 ILE 52 1HG2 ILE 52 -2.789 -10.435 1.377 406 HG22 ILE 52 2HG2 ILE 52 -2.438 -9.172 2.558 407 HG23 ILE 52 3HG2 ILE 52 -2.784 -8.739 0.884 408 HD11 ILE 52 3HD1 ILE 52 -4.085 -8.821 -0.690 409 HD12 ILE 52 1HD1 ILE 52 -5.369 -7.743 -0.141 410 HD13 ILE 52 2HD1 ILE 52 -5.743 -9.081 -1.229 411 H VAL 53 H VAL 53 -4.888 -8.176 4.683 412 HA VAL 53 HA VAL 53 -2.288 -8.270 5.749 413 HB VAL 53 HB VAL 53 -4.705 -6.862 6.905 414 HG11 VAL 53 1HG1 VAL 53 -1.755 -6.370 7.355 415 HG12 VAL 53 2HG1 VAL 53 -2.897 -7.017 8.535 416 HG13 VAL 53 3HG1 VAL 53 -3.067 -5.358 7.962 417 HG21 VAL 53 3HG2 VAL 53 -3.926 -4.901 5.669 418 HG22 VAL 53 1HG2 VAL 53 -4.282 -6.236 4.573 419 HG23 VAL 53 2HG2 VAL 53 -2.609 -5.848 4.976 420 H ASN 54 H ASN 54 -5.384 -9.288 7.207 421 HA ASN 54 HA ASN 54 -3.996 -10.425 9.504 422 HB2 ASN 54 2HB ASN 54 -6.932 -10.404 8.751 423 HB3 ASN 54 1HB ASN 54 -6.287 -11.064 10.254 424 HD21 ASN 54 1HD2 ASN 54 -7.470 -9.582 11.494 425 HD22 ASN 54 2HD2 ASN 54 -7.023 -7.918 11.589 426 H SER 55 H SER 55 -4.968 -11.408 6.410 427 HA SER 55 HA SER 55 -4.691 -13.317 5.234 428 HB2 SER 55 2HB SER 55 -2.500 -13.446 6.370 429 HB3 SER 55 1HB SER 55 -3.241 -14.377 7.671 430 HG SER 55 HG SER 55 -2.201 -15.319 5.487 431 H THR 56 H THR 56 -6.795 -13.939 5.009 432 HA THR 56 HA THR 56 -7.922 -15.833 6.954 433 HB THR 56 HB THR 56 -10.023 -15.645 5.641 434 HG1 THR 56 HG1 THR 56 -10.130 -14.083 3.977 435 HG21 THR 56 3HG2 THR 56 -10.551 -13.317 6.256 436 HG22 THR 56 1HG2 THR 56 -8.833 -12.999 6.499 437 HG23 THR 56 2HG2 THR 56 -9.673 -14.150 7.540 438 H TYR 57 H TYR 57 -8.041 -15.690 3.382 439 HA TYR 57 HA TYR 57 -6.748 -18.276 3.119 440 HB2 TYR 57 2HB TYR 57 -8.668 -19.310 1.898 441 HB3 TYR 57 1HB TYR 57 -9.003 -19.024 3.602 442 HD1 TYR 57 HD1 TYR 57 -9.771 -17.919 0.160 443 HD2 TYR 57 HD2 TYR 57 -10.688 -17.450 4.292 444 HE1 TYR 57 HE1 TYR 57 -11.798 -16.661 -0.437 445 HE2 TYR 57 HE2 TYR 57 -12.713 -16.193 3.704 446 HH TYR 57 HH TYR 57 -13.571 -14.855 1.831 447 H TYR 58 H TYR 58 -6.562 -15.391 2.117 448 HA TYR 58 HA TYR 58 -7.168 -15.625 -0.721 449 HB2 TYR 58 2HB TYR 58 -7.534 -13.528 0.759 450 HB3 TYR 58 1HB TYR 58 -5.805 -13.264 0.566 451 HD1 TYR 58 HD2 TYR 58 -4.874 -12.680 -1.653 452 HD2 TYR 58 HD1 TYR 58 -9.064 -13.211 -1.080 453 HE1 TYR 58 HE2 TYR 58 -5.310 -11.580 -3.807 454 HE2 TYR 58 HE1 TYR 58 -9.503 -12.114 -3.234 455 HH TYR 58 HH TYR 58 -7.096 -11.528 -5.532 456 H ALA 59 H ALA 59 -5.739 -16.176 -2.254 457 HA ALA 59 HA ALA 59 -3.040 -16.878 -1.501 458 HB1 ALA 59 3HB ALA 59 -4.409 -17.052 -4.187 459 HB2 ALA 59 1HB ALA 59 -4.345 -18.328 -2.970 460 HB3 ALA 59 2HB ALA 59 -2.864 -17.788 -3.759 461 H ASN 60 H ASN 60 -4.130 -15.024 -4.377 462 HA ASN 60 HA ASN 60 -2.239 -12.894 -3.812 463 HB2 ASN 60 2HB ASN 60 -0.846 -14.667 -4.894 464 HB3 ASN 60 1HB ASN 60 -1.883 -14.578 -6.313 465 HD21 ASN 60 1HD2 ASN 60 -0.203 -13.953 -7.648 466 HD22 ASN 60 2HD2 ASN 60 0.523 -12.388 -7.564 467 H VAL 61 H VAL 61 -2.548 -11.023 -5.124 468 HA VAL 61 HA VAL 61 -5.240 -10.824 -6.214 469 HB VAL 61 HB VAL 61 -4.771 -8.399 -6.407 470 HG11 VAL 61 1HG1 VAL 61 -4.074 -9.559 -3.705 471 HG12 VAL 61 2HG1 VAL 61 -5.704 -9.304 -4.329 472 HG13 VAL 61 3HG1 VAL 61 -4.656 -7.921 -4.013 473 HG21 VAL 61 3HG2 VAL 61 -2.686 -7.496 -5.454 474 HG22 VAL 61 1HG2 VAL 61 -2.391 -8.490 -6.882 475 HG23 VAL 61 2HG2 VAL 61 -2.072 -9.139 -5.274 476 H SER 62 H SER 62 -5.336 -9.200 -8.211 477 HA SER 62 HA SER 62 -3.993 -10.622 -10.375 478 HB2 SER 62 2HB SER 62 -6.157 -8.503 -10.492 479 HB3 SER 62 1HB SER 62 -5.597 -9.488 -11.843 480 HG SER 62 HG SER 62 -7.529 -10.293 -10.859 481 H ALA 63 H ALA 63 -3.164 -9.409 -12.260 482 HA ALA 63 HA ALA 63 -1.079 -7.666 -11.586 483 HB1 ALA 63 3HB ALA 63 -1.056 -9.071 -13.582 484 HB2 ALA 63 1HB ALA 63 -0.762 -7.381 -13.994 485 HB3 ALA 63 2HB ALA 63 -2.346 -8.100 -14.292 486 H ALA 64 H ALA 64 -4.388 -6.989 -12.384 487 HA ALA 64 HA ALA 64 -4.408 -4.370 -13.197 488 HB1 ALA 64 3HB ALA 64 -6.274 -5.623 -11.183 489 HB2 ALA 64 1HB ALA 64 -6.418 -5.739 -12.937 490 HB3 ALA 64 2HB ALA 64 -6.600 -4.176 -12.140 491 H LYS 65 H LYS 65 -3.445 -5.572 -10.089 492 HA LYS 65 HA LYS 65 -3.801 -3.347 -8.457 493 HB2 LYS 65 2HB LYS 65 -3.113 -5.563 -7.644 494 HB3 LYS 65 1HB LYS 65 -1.540 -5.360 -8.401 495 HG2 LYS 65 2HG LYS 65 -0.984 -3.562 -6.903 496 HG3 LYS 65 1HG LYS 65 -2.611 -3.567 -6.225 497 HD2 LYS 65 2HD LYS 65 -1.226 -4.703 -4.663 498 HD3 LYS 65 1HD LYS 65 -2.176 -5.944 -5.477 499 HE2 LYS 65 2HE LYS 65 0.669 -5.200 -6.170 500 HE3 LYS 65 1HE LYS 65 0.209 -6.561 -5.156 501 HZ1 LYS 65 3HZ LYS 65 0.604 -7.410 -7.299 502 HZ2 LYS 65 1HZ LYS 65 -0.302 -6.202 -8.054 503 HZ3 LYS 65 2HZ LYS 65 -1.073 -7.392 -7.135 504 H CYS 66 H CYS 66 -1.019 -4.113 -10.567 505 HA CYS 66 HA CYS 66 0.548 -1.868 -9.852 506 HB2 CYS 66 2HB CYS 66 1.446 -3.857 -11.038 507 HB3 CYS 66 1HB CYS 66 0.563 -3.373 -12.482 508 HG CYS 66 HG CYS 66 2.016 -1.065 -12.933 509 H GLN 67 H GLN 67 -2.219 -2.165 -11.870 510 HA GLN 67 HA GLN 67 -1.773 0.380 -13.233 511 HB2 GLN 67 2HB GLN 67 -4.052 -1.606 -13.428 512 HB3 GLN 67 1HB GLN 67 -3.901 -0.150 -14.402 513 HG2 GLN 67 2HG GLN 67 -1.843 -1.013 -15.392 514 HG3 GLN 67 1HG GLN 67 -1.970 -2.469 -14.402 515 HE21 GLN 67 1HE2 GLN 67 -3.537 -4.004 -14.918 516 HE22 GLN 67 2HE2 GLN 67 -4.382 -3.999 -16.423 517 H GLU 68 H GLU 68 -4.585 -0.997 -11.480 518 HA GLU 68 HA GLU 68 -5.789 1.519 -11.029 519 HB2 GLU 68 2HB GLU 68 -6.278 -1.159 -9.719 520 HB3 GLU 68 1HB GLU 68 -7.284 0.260 -9.453 521 HG2 GLU 68 2HG GLU 68 -6.848 -1.154 -12.079 522 HG3 GLU 68 1HG GLU 68 -8.303 -1.207 -11.084 523 H PHE 69 H PHE 69 -4.235 -0.669 -8.638 524 HA PHE 69 HA PHE 69 -4.442 1.114 -6.470 525 HB2 PHE 69 2HB PHE 69 -3.973 -1.283 -6.173 526 HB3 PHE 69 1HB PHE 69 -2.392 -1.076 -6.919 527 HD1 PHE 69 HD1 PHE 69 -4.446 -0.193 -3.969 528 HD2 PHE 69 HD2 PHE 69 -0.531 -0.329 -5.648 529 HE1 PHE 69 HE1 PHE 69 -3.482 0.304 -1.760 530 HE2 PHE 69 HE2 PHE 69 0.435 0.162 -3.441 531 HZ PHE 69 HZ PHE 69 -1.037 0.482 -1.495 532 H GLY 70 H GLY 70 -1.842 0.626 -8.837 533 HA2 GLY 70 2HA GLY 70 -0.041 2.548 -7.803 534 HA3 GLY 70 1HA GLY 70 -0.090 1.981 -9.465 535 H ARG 71 H ARG 71 -2.674 2.837 -10.160 536 HA ARG 71 HA ARG 71 -2.282 5.502 -10.911 537 HB2 ARG 71 2HB ARG 71 -3.766 4.006 -12.124 538 HB3 ARG 71 1HB ARG 71 -4.835 3.878 -10.740 539 HG2 ARG 71 2HG ARG 71 -4.382 6.602 -11.827 540 HG3 ARG 71 1HG ARG 71 -5.310 5.488 -12.828 541 HD2 ARG 71 2HD ARG 71 -5.931 6.209 -9.958 542 HD3 ARG 71 1HD ARG 71 -6.758 6.847 -11.379 543 HE ARG 71 HE ARG 71 -7.097 4.201 -11.678 544 HH11 ARG 71 1HH1 ARG 71 -7.601 6.283 -8.981 545 HH12 ARG 71 2HH1 ARG 71 -8.893 5.325 -8.344 546 HH21 ARG 71 1HH2 ARG 71 -8.747 2.966 -10.843 547 HH22 ARG 71 2HH2 ARG 71 -9.531 3.472 -9.387 548 H TRP 72 H TRP 72 -4.231 4.158 -8.254 549 HA TRP 72 HA TRP 72 -5.057 6.649 -7.176 550 HB2 TRP 72 2HB TRP 72 -6.276 4.724 -6.486 551 HB3 TRP 72 1HB TRP 72 -4.811 3.874 -6.002 552 HD1 TRP 72 HD TRP 72 -7.050 6.806 -4.838 553 HE1 TRP 72 HE1 TRP 72 -6.742 7.092 -2.299 554 HE3 TRP 72 HE3 TRP 72 -3.348 3.359 -4.078 555 HZ2 TRP 72 HZ2 TRP 72 -5.138 5.996 -0.246 556 HZ3 TRP 72 HZ3 TRP 72 -2.484 3.035 -1.794 557 HH2 TRP 72 HH TRP 72 -3.363 4.331 0.081 558 H TYR 73 H TYR 73 -2.407 4.444 -6.252 559 HA TYR 73 HA TYR 73 -1.427 5.970 -4.114 560 HB2 TYR 73 2HB TYR 73 -0.915 3.518 -4.736 561 HB3 TYR 73 1HB TYR 73 0.318 4.174 -5.806 562 HD1 TYR 73 HD2 TYR 73 -0.722 3.773 -2.295 563 HD2 TYR 73 HD1 TYR 73 2.386 5.064 -4.905 564 HE1 TYR 73 HE2 TYR 73 0.829 3.857 -0.391 565 HE2 TYR 73 HE1 TYR 73 3.946 5.146 -3.008 566 HH TYR 73 HH TYR 73 3.888 5.355 -0.576 567 H LYS 74 H LYS 74 -1.002 6.354 -7.539 568 HA LYS 74 HA LYS 74 1.370 7.841 -7.608 569 HB2 LYS 74 2HB LYS 74 0.184 6.967 -9.613 570 HB3 LYS 74 1HB LYS 74 -1.051 8.201 -9.391 571 HG2 LYS 74 2HG LYS 74 0.666 9.948 -9.696 572 HG3 LYS 74 1HG LYS 74 1.872 8.687 -9.968 573 HD2 LYS 74 2HD LYS 74 1.145 9.524 -12.105 574 HD3 LYS 74 1HD LYS 74 0.522 7.887 -11.902 575 HE2 LYS 74 2HE LYS 74 -1.664 8.783 -11.278 576 HE3 LYS 74 1HE LYS 74 -1.043 10.428 -11.420 577 HZ1 LYS 74 3HZ LYS 74 -0.625 10.005 -13.773 578 HZ2 LYS 74 1HZ LYS 74 -2.261 9.801 -13.391 579 HZ3 LYS 74 2HZ LYS 74 -1.273 8.451 -13.620 580 H HIS 75 H HIS 75 -2.006 9.015 -7.310 581 HA HIS 75 HA HIS 75 -1.272 11.752 -6.969 582 HB2 HIS 75 2HB HIS 75 -3.519 10.982 -7.730 583 HB3 HIS 75 1HB HIS 75 -3.832 10.368 -6.112 584 HD1 HIS 75 HD1 HIS 75 -4.784 12.003 -4.456 585 HD2 HIS 75 HD2 HIS 75 -3.271 13.875 -7.842 586 HE1 HIS 75 HE1 HIS 75 -5.452 14.410 -4.246 587 HE2 HIS 75 HE2 HIS 75 -4.405 15.549 -6.226 588 H PHE 76 H PHE 76 -1.255 9.053 -4.899 589 HA PHE 76 HA PHE 76 -1.454 10.470 -2.394 590 HB2 PHE 76 2HB PHE 76 -2.229 8.142 -2.678 591 HB3 PHE 76 1HB PHE 76 -0.582 7.635 -3.021 592 HD1 PHE 76 HD2 PHE 76 -2.879 8.840 -0.405 593 HD2 PHE 76 HD1 PHE 76 0.997 7.273 -1.247 594 HE1 PHE 76 HE2 PHE 76 -2.535 8.397 1.993 595 HE2 PHE 76 HE1 PHE 76 1.342 6.831 1.145 596 HZ PHE 76 HZ PHE 76 -0.424 7.392 2.768 597 H LYS 77 H LYS 77 1.154 9.146 -4.409 598 HA LYS 77 HA LYS 77 3.184 9.948 -2.455 599 HB2 LYS 77 2HB LYS 77 4.784 8.773 -3.911 600 HB3 LYS 77 1HB LYS 77 3.433 7.746 -3.459 601 HG2 LYS 77 2HG LYS 77 2.398 8.213 -5.671 602 HG3 LYS 77 1HG LYS 77 3.850 9.109 -6.117 603 HD2 LYS 77 2HD LYS 77 5.205 7.100 -5.864 604 HD3 LYS 77 1HD LYS 77 3.799 6.194 -5.303 605 HE2 LYS 77 2HE LYS 77 2.719 6.601 -7.503 606 HE3 LYS 77 1HE LYS 77 4.196 7.390 -8.050 607 HZ1 LYS 77 3HZ LYS 77 5.390 5.335 -7.759 608 HZ2 LYS 77 1HZ LYS 77 4.049 5.066 -8.758 609 HZ3 LYS 77 2HZ LYS 77 4.017 4.569 -7.143 610 H LYS 78 H LYS 78 2.172 10.779 -5.746 611 HA LYS 78 HA LYS 78 2.586 12.555 -7.101 612 HB2 LYS 78 2HB LYS 78 3.509 13.874 -4.537 613 HB3 LYS 78 1HB LYS 78 3.157 14.713 -6.040 614 HG2 LYS 78 2HG LYS 78 1.134 13.092 -4.500 615 HG3 LYS 78 1HG LYS 78 1.349 14.832 -4.330 616 HD2 LYS 78 2HD LYS 78 0.628 13.415 -6.904 617 HD3 LYS 78 1HD LYS 78 -0.519 14.234 -5.842 618 HE2 LYS 78 2HE LYS 78 0.794 16.342 -6.177 619 HE3 LYS 78 1HE LYS 78 1.764 15.484 -7.375 620 HZ1 LYS 78 3HZ LYS 78 -1.160 15.993 -7.514 621 HZ2 LYS 78 1HZ LYS 78 -0.288 15.073 -8.633 622 HZ3 LYS 78 2HZ LYS 78 0.034 16.718 -8.461 623 H THR 79 H THR 79 4.852 10.615 -6.337 624 HA THR 79 HA THR 79 7.234 12.274 -6.690 625 HB THR 79 HB THR 79 8.508 10.172 -6.275 626 HG1 THR 79 HG1 THR 79 7.260 8.353 -5.522 627 HG21 THR 79 3HG2 THR 79 7.926 11.650 -4.404 628 HG22 THR 79 1HG2 THR 79 7.918 9.958 -3.900 629 HG23 THR 79 2HG2 THR 79 6.395 10.797 -4.200 630 H LYS 80 H LYS 80 5.147 10.618 -8.760 631 HA LYS 80 HA LYS 80 6.972 10.898 -10.973 632 HB2 LYS 80 2HB LYS 80 7.473 8.620 -9.845 633 HB3 LYS 80 1HB LYS 80 5.930 8.099 -10.494 634 HG2 LYS 80 2HG LYS 80 8.155 9.189 -12.211 635 HG3 LYS 80 1HG LYS 80 7.970 7.477 -11.835 636 HD2 LYS 80 2HD LYS 80 5.747 7.493 -12.877 637 HD3 LYS 80 1HD LYS 80 5.933 9.207 -13.252 638 HE2 LYS 80 2HE LYS 80 7.845 8.701 -14.680 639 HE3 LYS 80 1HE LYS 80 7.708 6.989 -14.276 640 HZ1 LYS 80 3HZ LYS 80 6.697 7.473 -16.409 641 HZ2 LYS 80 1HZ LYS 80 5.656 8.597 -15.696 642 HZ3 LYS 80 2HZ LYS 80 5.523 6.959 -15.306 643 H ASP 81 H ASP 81 5.880 11.325 -12.809 644 HA ASP 81 HA ASP 81 4.200 11.789 -14.242 645 HB2 ASP 81 2HB ASP 81 3.898 9.280 -14.135 646 HB3 ASP 81 1HB ASP 81 2.633 9.546 -12.937 647 H MET 82 H MET 82 3.943 13.801 -13.223 648 HA MET 82 HA MET 82 2.116 14.168 -11.019 649 HB2 MET 82 2HB MET 82 3.496 16.217 -12.772 650 HB3 MET 82 1HB MET 82 2.696 16.540 -11.240 651 HG2 MET 82 2HG MET 82 4.341 15.265 -10.044 652 HG3 MET 82 1HG MET 82 5.087 14.736 -11.552 653 HE1 MET 82 3HE MET 82 7.481 15.541 -10.606 654 HE2 MET 82 1HE MET 82 6.684 16.048 -9.115 655 HE3 MET 82 2HE MET 82 7.760 17.158 -9.962 656 H MET 83 H MET 83 2.221 15.441 -14.344 657 HA MET 83 HA MET 83 -0.709 15.270 -14.510 658 HB2 MET 83 2HB MET 83 0.919 17.751 -15.138 659 HB3 MET 83 1HB MET 83 -0.762 17.536 -15.610 660 HG2 MET 83 2HG MET 83 -1.416 17.387 -13.271 661 HG3 MET 83 1HG MET 83 0.270 17.551 -12.777 662 HE1 MET 83 3HE MET 83 -0.452 19.605 -11.161 663 HE2 MET 83 1HE MET 83 -2.119 19.362 -11.690 664 HE3 MET 83 2HE MET 83 -1.407 20.973 -11.735 Start of MODEL 11 1 H1 MET 1 1H MET 1 9.360 -7.056 16.114 2 H2 MET 1 2H MET 1 8.933 -8.632 16.548 3 H3 MET 1 3H MET 1 9.070 -8.211 14.914 4 HA MET 1 HA MET 1 11.282 -8.264 16.885 5 HB2 MET 1 2HB MET 1 10.566 -10.518 16.313 6 HB3 MET 1 1HB MET 1 10.609 -10.132 14.597 7 HG2 MET 1 2HG MET 1 12.542 -11.472 15.365 8 HG3 MET 1 1HG MET 1 13.001 -9.933 14.636 9 HE1 MET 1 3HE MET 1 15.443 -10.294 15.695 10 HE2 MET 1 1HE MET 1 14.928 -11.786 16.480 11 HE3 MET 1 2HE MET 1 15.732 -10.527 17.419 12 H GLY 2 H GLY 2 12.645 -6.653 16.408 13 HA2 GLY 2 2HA GLY 2 14.251 -5.512 15.210 14 HA3 GLY 2 1HA GLY 2 13.922 -6.562 13.844 15 H HIS 3 H HIS 3 14.335 -3.587 14.136 16 HA HIS 3 HA HIS 3 11.851 -2.496 13.067 17 HB2 HIS 3 2HB HIS 3 14.571 -1.277 13.609 18 HB3 HIS 3 1HB HIS 3 13.246 -0.383 12.868 19 HD1 HIS 3 HD1 HIS 3 14.117 -2.138 16.117 20 HD2 HIS 3 HD2 HIS 3 11.431 0.663 14.628 21 HE1 HIS 3 HE1 HIS 3 12.905 -1.230 18.120 22 HE2 HIS 3 HE2 HIS 3 11.387 0.553 17.205 23 H HIS 4 H HIS 4 12.604 -4.524 11.490 24 HA HIS 4 HA HIS 4 14.351 -3.764 9.345 25 HB2 HIS 4 2HB HIS 4 13.733 -6.143 10.267 26 HB3 HIS 4 1HB HIS 4 12.364 -6.021 9.169 27 HD1 HIS 4 HD1 HIS 4 16.105 -6.242 9.219 28 HD2 HIS 4 HD2 HIS 4 12.985 -6.386 6.475 29 HE1 HIS 4 HE1 HIS 4 17.133 -7.030 7.073 30 HE2 HIS 4 HE2 HIS 4 15.204 -7.274 5.483 31 H HIS 5 H HIS 5 13.390 -1.773 8.686 32 HA HIS 5 HA HIS 5 10.685 -1.389 8.080 33 HB2 HIS 5 2HB HIS 5 13.102 0.112 7.051 34 HB3 HIS 5 1HB HIS 5 11.436 0.671 6.920 35 HD1 HIS 5 HD1 HIS 5 14.318 0.721 9.153 36 HD2 HIS 5 HD2 HIS 5 10.202 1.162 9.528 37 HE1 HIS 5 HE1 HIS 5 13.961 1.819 11.378 38 HE2 HIS 5 HE2 HIS 5 11.473 2.148 11.552 39 H HIS 6 H HIS 6 13.299 -2.513 5.977 40 HA HIS 6 HA HIS 6 13.256 -3.573 3.963 41 HB2 HIS 6 2HB HIS 6 11.455 -4.881 5.105 42 HB3 HIS 6 1HB HIS 6 10.264 -3.789 4.414 43 HD1 HIS 6 HD1 HIS 6 10.104 -3.850 1.726 44 HD2 HIS 6 HD2 HIS 6 12.177 -6.978 3.498 45 HE1 HIS 6 HE1 HIS 6 10.169 -5.668 0.004 46 HE2 HIS 6 HE2 HIS 6 11.306 -7.595 1.140 47 H HIS 7 H HIS 7 12.393 -0.552 4.286 48 HA HIS 7 HA HIS 7 11.175 -0.157 1.642 49 HB2 HIS 7 2HB HIS 7 11.919 1.932 3.709 50 HB3 HIS 7 1HB HIS 7 10.933 2.179 2.271 51 HD1 HIS 7 HD1 HIS 7 10.604 1.672 5.777 52 HD2 HIS 7 HD2 HIS 7 8.453 0.427 2.447 53 HE1 HIS 7 HE1 HIS 7 8.346 1.013 6.645 54 HE2 HIS 7 HE2 HIS 7 7.020 0.395 4.605 55 H HIS 8 H HIS 8 12.641 -0.331 0.025 56 HA HIS 8 HA HIS 8 15.354 0.741 0.488 57 HB2 HIS 8 2HB HIS 8 15.257 -1.706 0.250 58 HB3 HIS 8 1HB HIS 8 14.501 -1.529 -1.330 59 HD1 HIS 8 HD1 HIS 8 17.788 -0.892 0.428 60 HD2 HIS 8 HD2 HIS 8 16.251 -1.190 -3.422 61 HE1 HIS 8 HE1 HIS 8 19.782 -0.881 -1.098 62 HE2 HIS 8 HE2 HIS 8 18.834 -1.211 -3.403 63 H SER 9 H SER 9 14.881 2.829 -0.283 64 HA SER 9 HA SER 9 14.840 4.510 -1.818 65 HB2 SER 9 2HB SER 9 16.507 4.247 -3.626 66 HB3 SER 9 1HB SER 9 17.105 3.690 -2.065 67 HG SER 9 HG SER 9 17.583 2.247 -3.814 68 H HIS 10 H HIS 10 14.877 1.847 -4.197 69 HA HIS 10 HA HIS 10 13.333 3.312 -6.073 70 HB2 HIS 10 2HB HIS 10 13.962 0.356 -5.990 71 HB3 HIS 10 1HB HIS 10 13.281 1.198 -7.375 72 HD1 HIS 10 HD1 HIS 10 14.893 2.388 -8.908 73 HD2 HIS 10 HD2 HIS 10 16.685 1.060 -5.408 74 HE1 HIS 10 HE1 HIS 10 17.353 2.727 -9.246 75 HE2 HIS 10 HE2 HIS 10 18.399 2.075 -7.055 76 H MET 11 H MET 11 12.139 2.165 -3.298 77 HA MET 11 HA MET 11 9.686 0.982 -4.227 78 HB2 MET 11 2HB MET 11 10.627 0.420 -2.028 79 HB3 MET 11 1HB MET 11 10.432 2.088 -1.507 80 HG2 MET 11 2HG MET 11 8.035 1.897 -1.610 81 HG3 MET 11 1HG MET 11 8.157 0.281 -2.309 82 HE1 MET 11 3HE MET 11 10.452 -1.091 -0.678 83 HE2 MET 11 1HE MET 11 8.899 -1.859 -1.004 84 HE3 MET 11 2HE MET 11 9.546 -1.840 0.637 85 H LEU 12 H LEU 12 10.816 4.223 -3.596 86 HA LEU 12 HA LEU 12 8.317 5.496 -3.240 87 HB2 LEU 12 2HB LEU 12 10.898 6.630 -4.327 88 HB3 LEU 12 1HB LEU 12 9.506 7.586 -3.853 89 HG LEU 12 HG LEU 12 11.210 5.883 -2.024 90 HD11 LEU 12 1HD1 LEU 12 11.815 8.031 -1.006 91 HD12 LEU 12 2HD1 LEU 12 10.882 8.876 -2.241 92 HD13 LEU 12 3HD1 LEU 12 12.307 7.940 -2.696 93 HD21 LEU 12 3HD2 LEU 12 8.898 5.806 -1.291 94 HD22 LEU 12 1HD2 LEU 12 8.778 7.564 -1.401 95 HD23 LEU 12 2HD2 LEU 12 9.841 6.824 -0.203 96 HA PRO 13 HA PRO 13 8.067 5.985 -8.022 97 HB2 PRO 13 2HB PRO 13 9.815 4.688 -9.607 98 HB3 PRO 13 1HB PRO 13 10.184 6.281 -8.934 99 HG2 PRO 13 2HG PRO 13 11.061 3.574 -7.978 100 HG3 PRO 13 1HG PRO 13 12.020 5.056 -8.169 101 HD2 PRO 13 2HD PRO 13 11.012 4.227 -5.771 102 HD3 PRO 13 1HD PRO 13 11.295 5.931 -6.168 103 HA PRO 14 HA PRO 14 5.906 2.077 -8.467 104 HB2 PRO 14 2HB PRO 14 5.433 2.649 -11.311 105 HB3 PRO 14 1HB PRO 14 4.278 2.603 -9.975 106 HG2 PRO 14 2HG PRO 14 4.977 4.911 -11.194 107 HG3 PRO 14 1HG PRO 14 4.569 4.834 -9.469 108 HD2 PRO 14 2HD PRO 14 7.278 4.924 -10.773 109 HD3 PRO 14 1HD PRO 14 6.682 5.809 -9.350 110 H GLU 15 H GLU 15 8.442 1.371 -8.436 111 HA GLU 15 HA GLU 15 9.085 0.049 -10.998 112 HB2 GLU 15 2HB GLU 15 10.670 1.791 -10.339 113 HB3 GLU 15 1HB GLU 15 10.945 0.986 -8.803 114 HG2 GLU 15 2HG GLU 15 12.029 -0.852 -9.865 115 HG3 GLU 15 1HG GLU 15 11.545 -0.290 -11.465 116 H GLN 16 H GLN 16 10.244 -0.547 -7.646 117 HA GLN 16 HA GLN 16 10.291 -3.389 -8.160 118 HB2 GLN 16 2HB GLN 16 11.177 -3.564 -5.853 119 HB3 GLN 16 1HB GLN 16 12.068 -2.413 -6.840 120 HG2 GLN 16 2HG GLN 16 11.149 -0.562 -5.718 121 HG3 GLN 16 1HG GLN 16 9.868 -1.532 -4.993 122 HE21 GLN 16 1HE2 GLN 16 13.297 -0.819 -4.906 123 HE22 GLN 16 2HE2 GLN 16 13.555 -1.387 -3.301 124 H TRP 17 H TRP 17 7.606 -2.236 -8.190 125 HA TRP 17 HA TRP 17 6.393 -3.039 -5.675 126 HB2 TRP 17 2HB TRP 17 5.294 -1.697 -8.140 127 HB3 TRP 17 1HB TRP 17 4.264 -2.224 -6.810 128 HD1 TRP 17 HD TRP 17 7.196 0.219 -7.475 129 HE1 TRP 17 HE1 TRP 17 7.069 2.110 -5.732 130 HE3 TRP 17 HE3 TRP 17 3.337 -1.557 -4.631 131 HZ2 TRP 17 HZ2 TRP 17 5.532 2.765 -3.468 132 HZ3 TRP 17 HZ3 TRP 17 2.600 -0.235 -2.692 133 HH2 TRP 17 HH TRP 17 3.676 1.881 -2.123 134 H SER 18 H SER 18 6.648 -5.275 -5.663 135 HA SER 18 HA SER 18 5.027 -6.805 -7.586 136 HB2 SER 18 2HB SER 18 7.218 -7.764 -7.104 137 HB3 SER 18 1HB SER 18 6.888 -7.729 -5.371 138 HG SER 18 HG SER 18 6.542 -9.812 -6.346 139 H HIS 19 H HIS 19 3.846 -8.752 -6.354 140 HA HIS 19 HA HIS 19 1.684 -7.655 -4.954 141 HB2 HIS 19 2HB HIS 19 2.653 -10.527 -4.984 142 HB3 HIS 19 1HB HIS 19 1.086 -10.004 -4.374 143 HD1 HIS 19 HD1 HIS 19 -0.520 -8.860 -6.236 144 HD2 HIS 19 HD2 HIS 19 2.697 -11.063 -7.670 145 HE1 HIS 19 HE1 HIS 19 -1.059 -9.347 -8.636 146 HE2 HIS 19 HE2 HIS 19 0.987 -10.506 -9.528 147 H THR 20 H THR 20 4.624 -9.214 -3.730 148 HA THR 20 HA THR 20 3.976 -9.204 -0.989 149 HB THR 20 HB THR 20 6.734 -8.934 -2.227 150 HG1 THR 20 HG1 THR 20 6.729 -11.258 -1.952 151 HG21 THR 20 3HG2 THR 20 6.723 -8.441 0.178 152 HG22 THR 20 1HG2 THR 20 7.526 -9.977 -0.148 153 HG23 THR 20 2HG2 THR 20 5.882 -9.960 0.492 154 H THR 21 H THR 21 5.665 -6.782 -2.980 155 HA THR 21 HA THR 21 6.314 -4.934 -0.987 156 HB THR 21 HB THR 21 5.521 -4.266 -3.840 157 HG1 THR 21 HG1 THR 21 8.004 -4.306 -3.935 158 HG21 THR 21 3HG2 THR 21 5.688 -2.298 -2.361 159 HG22 THR 21 1HG2 THR 21 6.978 -2.319 -3.565 160 HG23 THR 21 2HG2 THR 21 7.319 -2.789 -1.901 161 H VAL 22 H VAL 22 3.422 -5.046 -3.068 162 HA VAL 22 HA VAL 22 2.086 -2.836 -1.950 163 HB VAL 22 HB VAL 22 0.901 -5.280 -3.291 164 HG11 VAL 22 1HG1 VAL 22 -1.038 -3.866 -3.767 165 HG12 VAL 22 2HG1 VAL 22 -0.311 -2.545 -2.853 166 HG13 VAL 22 3HG1 VAL 22 -0.788 -4.029 -2.030 167 HG21 VAL 22 3HG2 VAL 22 0.908 -3.891 -5.321 168 HG22 VAL 22 1HG2 VAL 22 2.538 -4.153 -4.701 169 HG23 VAL 22 2HG2 VAL 22 1.731 -2.607 -4.437 170 H ARG 23 H ARG 23 1.915 -6.300 -1.135 171 HA ARG 23 HA ARG 23 -0.096 -6.268 0.781 172 HB2 ARG 23 2HB ARG 23 1.053 -8.309 -0.087 173 HB3 ARG 23 1HB ARG 23 2.456 -7.898 0.890 174 HG2 ARG 23 2HG ARG 23 0.804 -7.961 2.881 175 HG3 ARG 23 1HG ARG 23 -0.247 -8.845 1.773 176 HD2 ARG 23 2HD ARG 23 1.004 -10.445 3.041 177 HD3 ARG 23 1HD ARG 23 1.633 -10.454 1.393 178 HE ARG 23 HE ARG 23 3.247 -8.693 2.682 179 HH11 ARG 23 1HH1 ARG 23 2.340 -11.961 3.289 180 HH12 ARG 23 2HH1 ARG 23 3.816 -12.324 4.109 181 HH21 ARG 23 1HH2 ARG 23 5.129 -9.175 3.737 182 HH22 ARG 23 2HH2 ARG 23 5.376 -10.772 4.356 183 H ASN 24 H ASN 24 3.404 -5.808 1.296 184 HA ASN 24 HA ASN 24 3.205 -5.278 4.081 185 HB2 ASN 24 2HB ASN 24 5.424 -4.526 2.157 186 HB3 ASN 24 1HB ASN 24 5.551 -4.584 3.914 187 HD21 ASN 24 1HD2 ASN 24 7.063 -6.053 1.919 188 HD22 ASN 24 2HD2 ASN 24 6.826 -7.726 2.277 189 H ALA 25 H ALA 25 3.208 -3.197 1.227 190 HA ALA 25 HA ALA 25 3.399 -0.702 2.543 191 HB1 ALA 25 3HB ALA 25 3.735 -0.985 0.122 192 HB2 ALA 25 1HB ALA 25 2.530 0.256 0.477 193 HB3 ALA 25 2HB ALA 25 2.017 -1.341 -0.067 194 H LEU 26 H LEU 26 0.623 -2.757 1.775 195 HA LEU 26 HA LEU 26 -1.445 -1.014 2.500 196 HB2 LEU 26 2HB LEU 26 -1.643 -3.243 1.341 197 HB3 LEU 26 1HB LEU 26 -1.416 -4.015 2.897 198 HG LEU 26 HG LEU 26 -3.688 -2.078 2.421 199 HD11 LEU 26 1HD1 LEU 26 -5.128 -3.973 1.897 200 HD12 LEU 26 2HD1 LEU 26 -3.741 -5.061 1.950 201 HD13 LEU 26 3HD1 LEU 26 -3.837 -3.815 0.705 202 HD21 LEU 26 3HD2 LEU 26 -3.287 -4.338 4.392 203 HD22 LEU 26 1HD2 LEU 26 -4.757 -3.374 4.233 204 HD23 LEU 26 2HD2 LEU 26 -3.255 -2.611 4.749 205 H LYS 27 H LYS 27 0.287 -3.419 4.501 206 HA LYS 27 HA LYS 27 -0.965 -2.753 6.949 207 HB2 LYS 27 2HB LYS 27 1.731 -4.007 6.381 208 HB3 LYS 27 1HB LYS 27 1.050 -3.856 7.996 209 HG2 LYS 27 2HG LYS 27 -0.165 -5.409 5.708 210 HG3 LYS 27 1HG LYS 27 0.713 -6.092 7.078 211 HD2 LYS 27 2HD LYS 27 -1.003 -5.120 8.601 212 HD3 LYS 27 1HD LYS 27 -1.907 -4.583 7.185 213 HE2 LYS 27 2HE LYS 27 -2.863 -6.648 7.993 214 HE3 LYS 27 1HE LYS 27 -2.072 -6.951 6.446 215 HZ1 LYS 27 3HZ LYS 27 -1.600 -8.679 8.089 216 HZ2 LYS 27 1HZ LYS 27 -0.890 -7.533 9.108 217 HZ3 LYS 27 2HZ LYS 27 -0.189 -7.882 7.613 218 H ASP 28 H ASP 28 1.905 -1.487 5.340 219 HA ASP 28 HA ASP 28 2.953 0.113 7.372 220 HB2 ASP 28 2HB ASP 28 4.014 -0.419 5.151 221 HB3 ASP 28 1HB ASP 28 2.939 0.761 4.413 222 H LEU 29 H LEU 29 0.427 0.853 4.979 223 HA LEU 29 HA LEU 29 -0.020 3.519 5.986 224 HB2 LEU 29 2HB LEU 29 -1.670 1.837 4.093 225 HB3 LEU 29 1HB LEU 29 -1.934 3.540 4.424 226 HG LEU 29 HG LEU 29 0.509 2.346 3.095 227 HD11 LEU 29 1HD1 LEU 29 -1.471 2.351 1.666 228 HD12 LEU 29 2HD1 LEU 29 -0.267 3.508 1.103 229 HD13 LEU 29 3HD1 LEU 29 -1.695 4.075 1.972 230 HD21 LEU 29 3HD2 LEU 29 1.181 4.694 2.708 231 HD22 LEU 29 1HD2 LEU 29 1.152 4.271 4.420 232 HD23 LEU 29 2HD2 LEU 29 -0.157 5.226 3.725 233 H LEU 30 H LEU 30 -1.626 0.379 6.336 234 HA LEU 30 HA LEU 30 -3.911 1.148 7.750 235 HB2 LEU 30 2HB LEU 30 -3.443 -1.123 6.850 236 HB3 LEU 30 1HB LEU 30 -2.265 -1.361 8.127 237 HG LEU 30 HG LEU 30 -4.097 -1.139 9.809 238 HD11 LEU 30 1HD1 LEU 30 -5.670 0.189 8.509 239 HD12 LEU 30 2HD1 LEU 30 -6.425 -1.306 9.060 240 HD13 LEU 30 3HD1 LEU 30 -5.897 -1.150 7.384 241 HD21 LEU 30 3HD2 LEU 30 -4.501 -3.305 7.740 242 HD22 LEU 30 1HD2 LEU 30 -5.069 -3.348 9.411 243 HD23 LEU 30 2HD2 LEU 30 -3.340 -3.343 9.068 244 H LYS 31 H LYS 31 -0.603 0.888 8.776 245 HA LYS 31 HA LYS 31 -0.799 0.862 11.543 246 HB2 LYS 31 2HB LYS 31 1.325 0.618 10.517 247 HB3 LYS 31 1HB LYS 31 1.176 2.143 9.660 248 HG2 LYS 31 2HG LYS 31 1.492 3.386 11.689 249 HG3 LYS 31 1HG LYS 31 1.440 1.908 12.653 250 HD2 LYS 31 2HD LYS 31 3.749 2.805 12.248 251 HD3 LYS 31 1HD LYS 31 3.508 1.137 11.730 252 HE2 LYS 31 2HE LYS 31 4.797 2.410 10.079 253 HE3 LYS 31 1HE LYS 31 3.256 1.877 9.412 254 HZ1 LYS 31 3HZ LYS 31 2.367 4.087 9.771 255 HZ2 LYS 31 1HZ LYS 31 3.760 4.165 8.817 256 HZ3 LYS 31 2HZ LYS 31 3.829 4.602 10.447 257 H ASP 32 H ASP 32 -1.387 3.541 9.330 258 HA ASP 32 HA ASP 32 -1.831 5.343 11.633 259 HB2 ASP 32 2HB ASP 32 -1.052 5.982 8.780 260 HB3 ASP 32 1HB ASP 32 -1.492 7.201 9.974 261 H MET 33 H MET 33 -3.664 3.472 9.687 262 HA MET 33 HA MET 33 -5.918 5.328 9.785 263 HB2 MET 33 2HB MET 33 -4.866 5.713 7.585 264 HB3 MET 33 1HB MET 33 -5.056 4.009 7.197 265 HG2 MET 33 2HG MET 33 -6.767 5.465 6.162 266 HG3 MET 33 1HG MET 33 -7.443 4.209 7.199 267 HE1 MET 33 3HE MET 33 -7.092 8.641 8.456 268 HE2 MET 33 1HE MET 33 -6.609 8.044 6.869 269 HE3 MET 33 2HE MET 33 -5.699 7.572 8.304 270 H ASN 34 H ASN 34 -7.959 4.385 9.720 271 HA ASN 34 HA ASN 34 -8.075 1.661 10.670 272 HB2 ASN 34 2HB ASN 34 -10.278 3.677 10.148 273 HB3 ASN 34 1HB ASN 34 -10.490 2.131 10.968 274 HD21 ASN 34 1HD2 ASN 34 -9.708 1.874 13.039 275 HD22 ASN 34 2HD2 ASN 34 -9.196 3.204 14.012 276 H GLN 35 H GLN 35 -9.714 0.112 9.820 277 HA GLN 35 HA GLN 35 -9.131 -0.715 7.252 278 HB2 GLN 35 2HB GLN 35 -11.668 -1.297 8.801 279 HB3 GLN 35 1HB GLN 35 -11.071 -2.232 7.439 280 HG2 GLN 35 2HG GLN 35 -9.625 -1.895 10.063 281 HG3 GLN 35 1HG GLN 35 -10.632 -3.275 9.634 282 HE21 GLN 35 1HE2 GLN 35 -9.714 -3.315 6.862 283 HE22 GLN 35 2HE2 GLN 35 -8.107 -3.940 6.903 284 H SER 36 H SER 36 -12.295 0.698 8.190 285 HA SER 36 HA SER 36 -13.327 0.848 5.578 286 HB2 SER 36 2HB SER 36 -14.787 0.979 7.529 287 HB3 SER 36 1HB SER 36 -14.053 2.507 8.010 288 HG SER 36 HG SER 36 -16.118 2.148 6.415 289 H SER 37 H SER 37 -11.828 3.408 7.548 290 HA SER 37 HA SER 37 -12.027 5.492 5.693 291 HB2 SER 37 2HB SER 37 -9.848 5.090 7.765 292 HB3 SER 37 1HB SER 37 -10.299 6.618 7.007 293 HG SER 37 HG SER 37 -11.242 6.312 9.101 294 H LEU 38 H LEU 38 -9.565 2.977 6.032 295 HA LEU 38 HA LEU 38 -7.729 4.066 4.147 296 HB2 LEU 38 2HB LEU 38 -7.096 2.406 5.862 297 HB3 LEU 38 1HB LEU 38 -8.083 1.202 5.055 298 HG LEU 38 HG LEU 38 -6.603 1.355 3.065 299 HD11 LEU 38 1HD1 LEU 38 -5.806 3.643 3.363 300 HD12 LEU 38 2HD1 LEU 38 -4.455 2.517 3.241 301 HD13 LEU 38 3HD1 LEU 38 -4.926 3.160 4.814 302 HD21 LEU 38 3HD2 LEU 38 -5.215 0.721 5.674 303 HD22 LEU 38 1HD2 LEU 38 -4.676 0.202 4.077 304 HD23 LEU 38 2HD2 LEU 38 -6.211 -0.379 4.718 305 H ALA 39 H ALA 39 -10.236 1.544 3.894 306 HA ALA 39 HA ALA 39 -9.820 0.888 1.190 307 HB1 ALA 39 3HB ALA 39 -12.034 -0.151 1.289 308 HB2 ALA 39 1HB ALA 39 -12.361 0.682 2.810 309 HB3 ALA 39 2HB ALA 39 -11.084 -0.531 2.725 310 H LYS 40 H LYS 40 -11.812 3.391 2.694 311 HA LYS 40 HA LYS 40 -13.145 4.193 0.304 312 HB2 LYS 40 2HB LYS 40 -14.025 4.699 2.550 313 HB3 LYS 40 1HB LYS 40 -12.659 5.768 2.846 314 HG2 LYS 40 2HG LYS 40 -13.403 7.190 0.961 315 HG3 LYS 40 1HG LYS 40 -14.801 6.136 0.752 316 HD2 LYS 40 2HD LYS 40 -15.514 6.668 3.058 317 HD3 LYS 40 1HD LYS 40 -14.144 7.770 3.209 318 HE2 LYS 40 2HE LYS 40 -15.033 9.096 1.328 319 HE3 LYS 40 1HE LYS 40 -16.419 8.010 1.231 320 HZ1 LYS 40 3HZ LYS 40 -15.702 9.780 3.498 321 HZ2 LYS 40 1HZ LYS 40 -16.949 8.636 3.545 322 HZ3 LYS 40 2HZ LYS 40 -17.034 9.935 2.464 323 H GLU 41 H GLU 41 -10.217 5.312 1.953 324 HA GLU 41 HA GLU 41 -9.713 7.509 0.195 325 HB2 GLU 41 2HB GLU 41 -8.774 7.461 2.446 326 HB3 GLU 41 1HB GLU 41 -7.867 6.004 2.066 327 HG2 GLU 41 2HG GLU 41 -6.456 8.003 2.063 328 HG3 GLU 41 1HG GLU 41 -6.496 7.221 0.486 329 H CYS 42 H CYS 42 -8.045 4.361 0.539 330 HA CYS 42 HA CYS 42 -7.101 4.544 -2.231 331 HB2 CYS 42 2HB CYS 42 -5.478 3.860 -0.491 332 HB3 CYS 42 1HB CYS 42 -6.485 2.471 -0.102 333 HG CYS 42 HG CYS 42 -4.167 1.741 -1.590 334 HA PRO 43 HA PRO 43 -10.980 2.394 -3.048 335 HB2 PRO 43 2HB PRO 43 -10.718 2.322 -5.786 336 HB3 PRO 43 1HB PRO 43 -11.301 3.722 -4.879 337 HG2 PRO 43 2HG PRO 43 -8.554 3.169 -5.944 338 HG3 PRO 43 1HG PRO 43 -9.485 4.680 -5.977 339 HD2 PRO 43 2HD PRO 43 -7.526 4.269 -4.178 340 HD3 PRO 43 1HD PRO 43 -8.996 5.174 -3.760 341 H LEU 44 H LEU 44 -9.974 0.498 -1.986 342 HA LEU 44 HA LEU 44 -9.474 -1.645 -3.959 343 HB2 LEU 44 2HB LEU 44 -8.342 -1.371 -1.167 344 HB3 LEU 44 1HB LEU 44 -8.182 -2.806 -2.163 345 HG LEU 44 HG LEU 44 -7.038 -0.079 -2.812 346 HD11 LEU 44 1HD1 LEU 44 -4.867 -1.147 -2.395 347 HD12 LEU 44 2HD1 LEU 44 -5.694 -2.621 -1.886 348 HD13 LEU 44 3HD1 LEU 44 -5.883 -1.136 -0.952 349 HD21 LEU 44 3HD2 LEU 44 -7.640 -1.325 -4.828 350 HD22 LEU 44 1HD2 LEU 44 -6.730 -2.721 -4.249 351 HD23 LEU 44 2HD2 LEU 44 -5.889 -1.221 -4.647 352 H SER 45 H SER 45 -10.291 -3.744 -3.389 353 HA SER 45 HA SER 45 -12.931 -3.755 -2.443 354 HB2 SER 45 2HB SER 45 -11.128 -6.186 -2.556 355 HB3 SER 45 1HB SER 45 -12.878 -6.127 -2.769 356 HG SER 45 HG SER 45 -12.360 -6.038 -4.820 357 H GLN 46 H GLN 46 -13.370 -3.138 -0.385 358 HA GLN 46 HA GLN 46 -11.762 -3.351 1.854 359 HB2 GLN 46 2HB GLN 46 -13.766 -1.933 1.709 360 HB3 GLN 46 1HB GLN 46 -14.792 -3.356 1.761 361 HG2 GLN 46 2HG GLN 46 -12.908 -3.028 4.019 362 HG3 GLN 46 1HG GLN 46 -14.200 -1.838 3.909 363 HE21 GLN 46 1HE2 GLN 46 -13.422 -5.173 4.464 364 HE22 GLN 46 2HE2 GLN 46 -14.977 -5.644 5.046 365 H SER 47 H SER 47 -14.096 -5.719 0.650 366 HA SER 47 HA SER 47 -14.100 -7.523 2.776 367 HB2 SER 47 2HB SER 47 -14.183 -8.279 -0.162 368 HB3 SER 47 1HB SER 47 -14.857 -9.193 1.188 369 HG SER 47 HG SER 47 -16.545 -7.903 1.230 370 H MET 48 H MET 48 -11.879 -7.323 0.015 371 HA MET 48 HA MET 48 -10.316 -9.597 0.748 372 HB2 MET 48 2HB MET 48 -9.639 -7.268 -1.063 373 HB3 MET 48 1HB MET 48 -8.716 -8.760 -0.943 374 HG2 MET 48 2HG MET 48 -10.607 -10.029 -1.784 375 HG3 MET 48 1HG MET 48 -11.584 -8.561 -1.845 376 HE1 MET 48 3HE MET 48 -11.013 -9.339 -5.637 377 HE2 MET 48 1HE MET 48 -12.207 -8.983 -4.388 378 HE3 MET 48 2HE MET 48 -11.291 -10.489 -4.328 379 H ILE 49 H ILE 49 -9.960 -6.101 1.292 380 HA ILE 49 HA ILE 49 -7.409 -6.067 2.426 381 HB ILE 49 HB ILE 49 -9.789 -4.348 3.181 382 HG12 ILE 49 2HG1 ILE 49 -7.552 -3.880 1.179 383 HG13 ILE 49 1HG1 ILE 49 -9.225 -4.254 0.779 384 HG21 ILE 49 1HG2 ILE 49 -8.038 -4.234 4.890 385 HG22 ILE 49 2HG2 ILE 49 -8.139 -2.720 3.994 386 HG23 ILE 49 3HG2 ILE 49 -6.838 -3.860 3.651 387 HD11 ILE 49 3HD1 ILE 49 -8.237 -1.773 2.166 388 HD12 ILE 49 1HD1 ILE 49 -9.927 -2.147 1.826 389 HD13 ILE 49 2HD1 ILE 49 -8.794 -1.899 0.498 390 H SER 50 H SER 50 -10.545 -6.734 3.963 391 HA SER 50 HA SER 50 -9.640 -7.031 6.611 392 HB2 SER 50 2HB SER 50 -12.036 -6.891 6.032 393 HB3 SER 50 1HB SER 50 -11.941 -8.470 5.255 394 HG SER 50 HG SER 50 -11.518 -7.886 8.005 395 H SER 51 H SER 51 -9.727 -9.315 3.916 396 HA SER 51 HA SER 51 -8.926 -11.620 5.360 397 HB2 SER 51 2HB SER 51 -8.440 -10.983 2.432 398 HB3 SER 51 1HB SER 51 -8.361 -12.580 3.174 399 HG SER 51 HG SER 51 -10.425 -12.720 2.873 400 H ILE 52 H ILE 52 -7.090 -9.156 3.585 401 HA ILE 52 HA ILE 52 -4.530 -10.300 3.864 402 HB ILE 52 HB ILE 52 -5.265 -7.372 3.575 403 HG12 ILE 52 2HG1 ILE 52 -4.597 -9.460 1.475 404 HG13 ILE 52 1HG1 ILE 52 -6.202 -8.810 1.796 405 HG21 ILE 52 1HG2 ILE 52 -3.011 -7.077 2.666 406 HG22 ILE 52 2HG2 ILE 52 -2.650 -8.774 2.977 407 HG23 ILE 52 3HG2 ILE 52 -2.948 -7.674 4.323 408 HD11 ILE 52 3HD1 ILE 52 -3.833 -7.260 0.770 409 HD12 ILE 52 1HD1 ILE 52 -5.433 -6.596 1.102 410 HD13 ILE 52 2HD1 ILE 52 -5.223 -7.797 -0.171 411 H VAL 53 H VAL 53 -6.456 -8.420 6.109 412 HA VAL 53 HA VAL 53 -4.433 -7.698 7.941 413 HB VAL 53 HB VAL 53 -7.336 -8.351 8.526 414 HG11 VAL 53 1HG1 VAL 53 -5.326 -6.809 10.179 415 HG12 VAL 53 2HG1 VAL 53 -5.989 -8.398 10.561 416 HG13 VAL 53 3HG1 VAL 53 -7.042 -6.984 10.546 417 HG21 VAL 53 3HG2 VAL 53 -7.684 -5.913 8.413 418 HG22 VAL 53 1HG2 VAL 53 -7.127 -6.574 6.877 419 HG23 VAL 53 2HG2 VAL 53 -6.003 -5.704 7.920 420 H ASN 54 H ASN 54 -6.391 -10.630 7.642 421 HA ASN 54 HA ASN 54 -5.024 -11.898 9.888 422 HB2 ASN 54 2HB ASN 54 -7.405 -12.233 9.798 423 HB3 ASN 54 1HB ASN 54 -7.321 -12.777 8.125 424 HD21 ASN 54 1HD2 ASN 54 -6.626 -13.615 11.441 425 HD22 ASN 54 2HD2 ASN 54 -6.492 -15.315 11.175 426 H SER 55 H SER 55 -5.760 -12.919 6.529 427 HA SER 55 HA SER 55 -3.474 -14.738 6.587 428 HB2 SER 55 2HB SER 55 -5.636 -15.566 5.717 429 HB3 SER 55 1HB SER 55 -5.579 -14.359 4.433 430 HG SER 55 HG SER 55 -4.746 -16.650 4.086 431 H THR 56 H THR 56 -1.603 -13.664 6.251 432 HA THR 56 HA THR 56 -1.387 -11.847 3.940 433 HB THR 56 HB THR 56 0.871 -11.290 4.871 434 HG1 THR 56 HG1 THR 56 1.519 -12.892 6.165 435 HG21 THR 56 3HG2 THR 56 0.053 -9.977 6.779 436 HG22 THR 56 1HG2 THR 56 -1.437 -10.922 6.792 437 HG23 THR 56 2HG2 THR 56 -1.061 -9.886 5.416 438 H TYR 57 H TYR 57 -1.355 -14.969 4.099 439 HA TYR 57 HA TYR 57 1.240 -15.408 2.755 440 HB2 TYR 57 2HB TYR 57 1.053 -17.768 3.512 441 HB3 TYR 57 1HB TYR 57 1.134 -16.616 4.840 442 HD1 TYR 57 HD1 TYR 57 -0.802 -16.231 6.279 443 HD2 TYR 57 HD2 TYR 57 -0.993 -19.042 3.082 444 HE1 TYR 57 HE1 TYR 57 -2.858 -17.177 7.239 445 HE2 TYR 57 HE2 TYR 57 -3.050 -19.990 4.036 446 HH TYR 57 HH TYR 57 -4.862 -18.458 6.391 447 H TYR 58 H TYR 58 -2.186 -15.602 2.294 448 HA TYR 58 HA TYR 58 -2.323 -17.786 0.516 449 HB2 TYR 58 2HB TYR 58 -4.528 -17.063 -0.040 450 HB3 TYR 58 1HB TYR 58 -4.284 -16.688 1.659 451 HD1 TYR 58 HD2 TYR 58 -3.625 -14.239 2.238 452 HD2 TYR 58 HD1 TYR 58 -5.271 -15.404 -1.514 453 HE1 TYR 58 HE2 TYR 58 -4.303 -11.911 1.813 454 HE2 TYR 58 HE1 TYR 58 -5.956 -13.084 -1.942 455 HH TYR 58 HH TYR 58 -6.477 -11.048 -0.607 456 H ALA 59 H ALA 59 -2.283 -17.953 -1.726 457 HA ALA 59 HA ALA 59 -0.698 -15.870 -3.052 458 HB1 ALA 59 3HB ALA 59 -0.189 -17.568 -4.723 459 HB2 ALA 59 1HB ALA 59 -1.323 -18.683 -3.958 460 HB3 ALA 59 2HB ALA 59 0.133 -18.177 -3.099 461 H ASN 60 H ASN 60 -3.921 -16.495 -2.782 462 HA ASN 60 HA ASN 60 -4.747 -16.249 -5.526 463 HB2 ASN 60 2HB ASN 60 -6.042 -17.347 -3.601 464 HB3 ASN 60 1HB ASN 60 -6.477 -15.718 -3.100 465 HD21 ASN 60 1HD2 ASN 60 -7.850 -14.489 -4.459 466 HD22 ASN 60 2HD2 ASN 60 -8.830 -15.244 -5.666 467 H VAL 61 H VAL 61 -2.968 -14.096 -4.558 468 HA VAL 61 HA VAL 61 -4.614 -11.709 -4.509 469 HB VAL 61 HB VAL 61 -1.602 -11.932 -4.786 470 HG11 VAL 61 1HG1 VAL 61 -1.580 -9.596 -4.019 471 HG12 VAL 61 2HG1 VAL 61 -3.344 -9.580 -4.022 472 HG13 VAL 61 3HG1 VAL 61 -2.461 -9.775 -5.537 473 HG21 VAL 61 3HG2 VAL 61 -2.359 -12.973 -2.710 474 HG22 VAL 61 1HG2 VAL 61 -3.272 -11.522 -2.297 475 HG23 VAL 61 2HG2 VAL 61 -1.510 -11.465 -2.376 476 H SER 62 H SER 62 -5.714 -11.665 -6.458 477 HA SER 62 HA SER 62 -4.784 -12.298 -8.983 478 HB2 SER 62 2HB SER 62 -7.160 -11.862 -8.415 479 HB3 SER 62 1HB SER 62 -6.804 -10.138 -8.321 480 HG SER 62 HG SER 62 -7.629 -11.279 -10.408 481 H ALA 63 H ALA 63 -4.190 -10.974 -10.812 482 HA ALA 63 HA ALA 63 -1.839 -9.616 -10.431 483 HB1 ALA 63 3HB ALA 63 -2.546 -10.581 -12.559 484 HB2 ALA 63 1HB ALA 63 -2.002 -8.916 -12.759 485 HB3 ALA 63 2HB ALA 63 -3.728 -9.289 -12.764 486 H ALA 64 H ALA 64 -4.835 -7.931 -11.483 487 HA ALA 64 HA ALA 64 -3.672 -5.381 -11.418 488 HB1 ALA 64 3HB ALA 64 -5.643 -5.952 -12.754 489 HB2 ALA 64 1HB ALA 64 -5.911 -4.517 -11.764 490 HB3 ALA 64 2HB ALA 64 -6.606 -6.065 -11.280 491 H LYS 65 H LYS 65 -4.704 -7.233 -8.748 492 HA LYS 65 HA LYS 65 -5.789 -5.317 -7.026 493 HB2 LYS 65 2HB LYS 65 -4.022 -7.667 -6.301 494 HB3 LYS 65 1HB LYS 65 -5.016 -6.760 -5.170 495 HG2 LYS 65 2HG LYS 65 -6.031 -8.393 -7.497 496 HG3 LYS 65 1HG LYS 65 -6.050 -8.882 -5.805 497 HD2 LYS 65 2HD LYS 65 -7.539 -6.525 -6.978 498 HD3 LYS 65 1HD LYS 65 -8.246 -8.081 -6.550 499 HE2 LYS 65 2HE LYS 65 -8.766 -6.872 -4.669 500 HE3 LYS 65 1HE LYS 65 -7.206 -7.532 -4.185 501 HZ1 LYS 65 3HZ LYS 65 -6.180 -5.430 -4.902 502 HZ2 LYS 65 1HZ LYS 65 -7.313 -5.205 -3.668 503 HZ3 LYS 65 2HZ LYS 65 -7.716 -4.811 -5.259 504 H CYS 66 H CYS 66 -2.479 -5.831 -8.001 505 HA CYS 66 HA CYS 66 -1.352 -4.091 -5.972 506 HB2 CYS 66 2HB CYS 66 -0.111 -5.242 -8.485 507 HB3 CYS 66 1HB CYS 66 0.764 -4.411 -7.204 508 HG CYS 66 HG CYS 66 1.237 -7.181 -7.103 509 H GLN 67 H GLN 67 -2.020 -3.922 -9.451 510 HA GLN 67 HA GLN 67 -0.838 -1.397 -9.896 511 HB2 GLN 67 2HB GLN 67 -2.881 -2.973 -11.472 512 HB3 GLN 67 1HB GLN 67 -2.260 -1.423 -12.018 513 HG2 GLN 67 2HG GLN 67 -0.939 -2.943 -13.157 514 HG3 GLN 67 1HG GLN 67 0.068 -2.494 -11.788 515 HE21 GLN 67 1HE2 GLN 67 0.243 -4.861 -13.422 516 HE22 GLN 67 2HE2 GLN 67 0.028 -6.208 -12.364 517 H GLU 68 H GLU 68 -4.070 -2.332 -8.876 518 HA GLU 68 HA GLU 68 -5.309 0.197 -9.165 519 HB2 GLU 68 2HB GLU 68 -5.895 -2.062 -7.239 520 HB3 GLU 68 1HB GLU 68 -6.931 -0.657 -7.459 521 HG2 GLU 68 2HG GLU 68 -6.248 -2.727 -9.542 522 HG3 GLU 68 1HG GLU 68 -7.791 -2.535 -8.710 523 H PHE 69 H PHE 69 -3.597 -1.280 -6.424 524 HA PHE 69 HA PHE 69 -3.806 0.901 -4.642 525 HB2 PHE 69 2HB PHE 69 -3.126 -1.374 -3.943 526 HB3 PHE 69 1HB PHE 69 -1.635 -1.208 -4.859 527 HD1 PHE 69 HD2 PHE 69 -3.466 -0.110 -1.869 528 HD2 PHE 69 HD1 PHE 69 0.216 0.077 -4.004 529 HE1 PHE 69 HE2 PHE 69 -2.366 0.842 0.112 530 HE2 PHE 69 HE1 PHE 69 1.320 1.027 -2.022 531 HZ PHE 69 HZ PHE 69 0.029 1.410 0.038 532 H GLY 70 H GLY 70 -1.338 0.001 -7.029 533 HA2 GLY 70 2HA GLY 70 0.478 2.086 -6.610 534 HA3 GLY 70 1HA GLY 70 0.263 1.226 -8.125 535 H ARG 71 H ARG 71 -2.462 2.028 -8.596 536 HA ARG 71 HA ARG 71 -2.103 4.457 -9.954 537 HB2 ARG 71 2HB ARG 71 -3.868 2.867 -10.561 538 HB3 ARG 71 1HB ARG 71 -4.686 3.165 -9.032 539 HG2 ARG 71 2HG ARG 71 -5.012 5.528 -9.708 540 HG3 ARG 71 1HG ARG 71 -4.283 5.151 -11.269 541 HD2 ARG 71 2HD ARG 71 -6.071 3.581 -11.759 542 HD3 ARG 71 1HD ARG 71 -6.770 3.839 -10.157 543 HE ARG 71 HE ARG 71 -6.499 6.208 -11.802 544 HH11 ARG 71 1HH1 ARG 71 -8.570 3.608 -10.896 545 HH12 ARG 71 2HH1 ARG 71 -10.012 4.498 -11.249 546 HH21 ARG 71 1HH2 ARG 71 -8.350 7.322 -12.275 547 HH22 ARG 71 2HH2 ARG 71 -9.889 6.561 -12.061 548 H TRP 72 H TRP 72 -3.716 3.817 -6.844 549 HA TRP 72 HA TRP 72 -4.389 6.489 -6.238 550 HB2 TRP 72 2HB TRP 72 -5.426 4.637 -5.060 551 HB3 TRP 72 1HB TRP 72 -3.871 4.121 -4.419 552 HD1 TRP 72 HD TRP 72 -6.512 6.880 -3.991 553 HE1 TRP 72 HE1 TRP 72 -6.203 7.962 -1.677 554 HE3 TRP 72 HE3 TRP 72 -2.191 4.544 -2.578 555 HZ2 TRP 72 HZ2 TRP 72 -4.359 7.851 0.457 556 HZ3 TRP 72 HZ3 TRP 72 -1.218 5.092 -0.385 557 HH2 TRP 72 HH TRP 72 -2.282 6.713 1.102 558 H TYR 73 H TYR 73 -1.623 4.510 -5.141 559 HA TYR 73 HA TYR 73 -0.377 6.525 -3.630 560 HB2 TYR 73 2HB TYR 73 0.159 4.127 -3.402 561 HB3 TYR 73 1HB TYR 73 0.911 4.146 -4.993 562 HD1 TYR 73 HD2 TYR 73 1.136 5.804 -1.653 563 HD2 TYR 73 HD1 TYR 73 3.217 4.564 -5.160 564 HE1 TYR 73 HE2 TYR 73 3.265 6.471 -0.621 565 HE2 TYR 73 HE1 TYR 73 5.349 5.233 -4.133 566 HH TYR 73 HH TYR 73 6.223 6.592 -2.425 567 H LYS 74 H LYS 74 -0.272 5.842 -7.063 568 HA LYS 74 HA LYS 74 2.061 7.236 -7.754 569 HB2 LYS 74 2HB LYS 74 0.739 5.690 -9.240 570 HB3 LYS 74 1HB LYS 74 -0.422 6.993 -9.465 571 HG2 LYS 74 2HG LYS 74 1.289 8.376 -10.495 572 HG3 LYS 74 1HG LYS 74 2.504 7.131 -10.195 573 HD2 LYS 74 2HD LYS 74 1.221 5.580 -11.647 574 HD3 LYS 74 1HD LYS 74 0.083 6.885 -11.994 575 HE2 LYS 74 2HE LYS 74 3.034 6.866 -12.642 576 HE3 LYS 74 1HE LYS 74 1.714 6.662 -13.792 577 HZ1 LYS 74 3HZ LYS 74 2.589 8.918 -13.800 578 HZ2 LYS 74 1HZ LYS 74 2.208 9.096 -12.164 579 HZ3 LYS 74 2HZ LYS 74 0.975 8.898 -13.301 580 H HIS 75 H HIS 75 -1.166 8.404 -7.035 581 HA HIS 75 HA HIS 75 -0.478 11.145 -7.767 582 HB2 HIS 75 2HB HIS 75 -2.957 9.962 -6.494 583 HB3 HIS 75 1HB HIS 75 -2.749 11.680 -6.823 584 HD1 HIS 75 HD1 HIS 75 -2.562 12.360 -9.388 585 HD2 HIS 75 HD2 HIS 75 -3.762 8.449 -8.652 586 HE1 HIS 75 HE1 HIS 75 -3.529 11.534 -11.548 587 HE2 HIS 75 HE2 HIS 75 -4.052 9.113 -11.131 588 H PHE 76 H PHE 76 -0.827 9.174 -4.862 589 HA PHE 76 HA PHE 76 -0.661 11.207 -2.932 590 HB2 PHE 76 2HB PHE 76 -1.304 8.865 -2.451 591 HB3 PHE 76 1HB PHE 76 0.358 8.359 -2.731 592 HD1 PHE 76 HD1 PHE 76 -1.747 10.525 -0.561 593 HD2 PHE 76 HD2 PHE 76 1.920 8.383 -0.971 594 HE1 PHE 76 HE1 PHE 76 -1.239 10.944 1.805 595 HE2 PHE 76 HE2 PHE 76 2.430 8.811 1.400 596 HZ PHE 76 HZ PHE 76 0.854 10.090 2.791 597 H LYS 77 H LYS 77 1.872 9.521 -4.721 598 HA LYS 77 HA LYS 77 4.054 10.732 -3.268 599 HB2 LYS 77 2HB LYS 77 5.475 9.706 -5.029 600 HB3 LYS 77 1HB LYS 77 4.371 8.551 -4.289 601 HG2 LYS 77 2HG LYS 77 2.841 8.860 -6.222 602 HG3 LYS 77 1HG LYS 77 4.056 9.888 -6.974 603 HD2 LYS 77 2HD LYS 77 4.755 7.099 -6.106 604 HD3 LYS 77 1HD LYS 77 3.904 7.367 -7.625 605 HE2 LYS 77 2HE LYS 77 6.223 7.250 -8.135 606 HE3 LYS 77 1HE LYS 77 5.756 8.942 -8.272 607 HZ1 LYS 77 3HZ LYS 77 7.128 7.719 -5.946 608 HZ2 LYS 77 1HZ LYS 77 6.706 9.351 -6.100 609 HZ3 LYS 77 2HZ LYS 77 7.862 8.676 -7.131 610 H LYS 78 H LYS 78 1.896 12.084 -5.325 611 HA LYS 78 HA LYS 78 3.864 13.886 -6.604 612 HB2 LYS 78 2HB LYS 78 2.194 12.354 -7.961 613 HB3 LYS 78 1HB LYS 78 1.026 13.603 -7.566 614 HG2 LYS 78 2HG LYS 78 3.620 14.048 -9.044 615 HG3 LYS 78 1HG LYS 78 2.033 13.889 -9.794 616 HD2 LYS 78 2HD LYS 78 1.290 15.891 -8.501 617 HD3 LYS 78 1HD LYS 78 2.945 16.073 -7.913 618 HE2 LYS 78 2HE LYS 78 2.029 16.202 -10.788 619 HE3 LYS 78 1HE LYS 78 2.561 17.556 -9.794 620 HZ1 LYS 78 3HZ LYS 78 4.318 16.840 -11.255 621 HZ2 LYS 78 1HZ LYS 78 4.236 15.261 -10.657 622 HZ3 LYS 78 2HZ LYS 78 4.754 16.519 -9.655 623 H THR 79 H THR 79 0.667 13.772 -5.035 624 HA THR 79 HA THR 79 0.312 16.619 -4.983 625 HB THR 79 HB THR 79 -1.613 15.094 -5.040 626 HG1 THR 79 HG1 THR 79 -1.375 17.236 -3.529 627 HG21 THR 79 3HG2 THR 79 -2.292 13.852 -3.042 628 HG22 THR 79 1HG2 THR 79 -0.812 14.349 -2.222 629 HG23 THR 79 2HG2 THR 79 -0.727 13.294 -3.633 630 H LYS 80 H LYS 80 2.544 14.997 -3.371 631 HA LYS 80 HA LYS 80 2.288 15.685 -0.662 632 HB2 LYS 80 2HB LYS 80 4.785 15.369 -2.350 633 HB3 LYS 80 1HB LYS 80 4.770 15.449 -0.594 634 HG2 LYS 80 2HG LYS 80 3.584 13.376 -0.439 635 HG3 LYS 80 1HG LYS 80 3.330 13.332 -2.184 636 HD2 LYS 80 2HD LYS 80 5.139 11.813 -1.507 637 HD3 LYS 80 1HD LYS 80 5.742 13.105 -2.545 638 HE2 LYS 80 2HE LYS 80 7.288 12.738 -0.718 639 HE3 LYS 80 1HE LYS 80 6.525 14.316 -0.535 640 HZ1 LYS 80 3HZ LYS 80 5.049 13.387 1.113 641 HZ2 LYS 80 1HZ LYS 80 6.654 13.101 1.555 642 HZ3 LYS 80 2HZ LYS 80 5.720 11.851 0.908 643 H ASP 81 H ASP 81 3.036 17.455 0.557 644 HA ASP 81 HA ASP 81 3.252 20.011 -0.630 645 HB2 ASP 81 2HB ASP 81 2.631 19.711 1.728 646 HB3 ASP 81 1HB ASP 81 4.221 19.043 2.080 647 H MET 82 H MET 82 5.700 17.694 0.484 648 HA MET 82 HA MET 82 7.875 19.211 -0.711 649 HB2 MET 82 2HB MET 82 8.284 17.980 1.372 650 HB3 MET 82 1HB MET 82 7.822 16.472 0.595 651 HG2 MET 82 2HG MET 82 9.747 16.643 -0.898 652 HG3 MET 82 1HG MET 82 10.206 18.167 -0.138 653 HE1 MET 82 3HE MET 82 11.074 18.400 2.321 654 HE2 MET 82 1HE MET 82 11.217 17.061 3.460 655 HE3 MET 82 2HE MET 82 9.624 17.620 2.952 656 H MET 83 H MET 83 7.541 19.261 -2.911 657 HA MET 83 HA MET 83 6.824 16.811 -4.339 658 HB2 MET 83 2HB MET 83 7.128 19.625 -5.413 659 HB3 MET 83 1HB MET 83 6.381 18.263 -6.238 660 HG2 MET 83 2HG MET 83 4.633 18.196 -4.514 661 HG3 MET 83 1HG MET 83 5.374 19.588 -3.729 662 HE1 MET 83 3HE MET 83 3.362 19.684 -7.883 663 HE2 MET 83 1HE MET 83 3.414 18.262 -6.841 664 HE3 MET 83 2HE MET 83 4.892 18.859 -7.594 Start of MODEL 12 1 H1 MET 1 1H MET 1 7.422 1.286 21.932 2 H2 MET 1 2H MET 1 8.936 0.556 21.737 3 H3 MET 1 3H MET 1 7.616 0.022 20.825 4 HA MET 1 HA MET 1 7.495 2.140 19.683 5 HB2 MET 1 2HB MET 1 9.988 2.780 21.290 6 HB3 MET 1 1HB MET 1 9.346 3.768 19.985 7 HG2 MET 1 2HG MET 1 7.313 4.166 21.277 8 HG3 MET 1 1HG MET 1 7.938 3.158 22.582 9 HE1 MET 1 3HE MET 1 10.999 3.943 22.697 10 HE2 MET 1 1HE MET 1 9.984 3.834 24.137 11 HE3 MET 1 2HE MET 1 10.982 5.264 23.867 12 H GLY 2 H GLY 2 9.414 2.919 18.063 13 HA2 GLY 2 2HA GLY 2 11.690 1.677 17.449 14 HA3 GLY 2 1HA GLY 2 10.537 0.437 16.991 15 H HIS 3 H HIS 3 12.483 2.055 15.416 16 HA HIS 3 HA HIS 3 10.629 2.726 13.255 17 HB2 HIS 3 2HB HIS 3 12.727 4.584 14.364 18 HB3 HIS 3 1HB HIS 3 12.174 4.721 12.699 19 HD1 HIS 3 HD1 HIS 3 11.401 5.877 16.033 20 HD2 HIS 3 HD2 HIS 3 9.244 5.156 12.553 21 HE1 HIS 3 HE1 HIS 3 9.236 7.115 16.314 22 HE2 HIS 3 HE2 HIS 3 8.012 6.787 14.141 23 H HIS 4 H HIS 4 11.584 2.674 11.129 24 HA HIS 4 HA HIS 4 13.467 0.439 11.011 25 HB2 HIS 4 2HB HIS 4 11.904 1.671 8.729 26 HB3 HIS 4 1HB HIS 4 12.620 0.064 8.797 27 HD1 HIS 4 HD1 HIS 4 11.435 -1.614 10.584 28 HD2 HIS 4 HD2 HIS 4 9.304 1.810 9.577 29 HE1 HIS 4 HE1 HIS 4 9.063 -2.074 11.258 30 HE2 HIS 4 HE2 HIS 4 7.820 0.046 10.746 31 H HIS 5 H HIS 5 14.932 2.594 11.686 32 HA HIS 5 HA HIS 5 15.663 4.317 9.539 33 HB2 HIS 5 2HB HIS 5 17.284 5.273 11.090 34 HB3 HIS 5 1HB HIS 5 15.730 5.042 11.877 35 HD1 HIS 5 HD1 HIS 5 19.274 3.924 11.954 36 HD2 HIS 5 HD2 HIS 5 15.712 3.093 13.932 37 HE1 HIS 5 HE1 HIS 5 19.928 2.623 13.998 38 HE2 HIS 5 HE2 HIS 5 17.772 2.209 15.229 39 H HIS 6 H HIS 6 16.283 1.357 9.099 40 HA HIS 6 HA HIS 6 18.530 1.914 7.467 41 HB2 HIS 6 2HB HIS 6 20.243 0.535 8.399 42 HB3 HIS 6 1HB HIS 6 19.686 1.592 9.687 43 HD1 HIS 6 HD1 HIS 6 19.867 -1.970 8.653 44 HD2 HIS 6 HD2 HIS 6 18.377 0.261 11.828 45 HE1 HIS 6 HE1 HIS 6 19.368 -3.629 10.462 46 HE2 HIS 6 HE2 HIS 6 18.726 -2.234 12.448 47 H HIS 7 H HIS 7 15.872 0.849 7.179 48 HA HIS 7 HA HIS 7 16.526 -1.610 5.749 49 HB2 HIS 7 2HB HIS 7 15.837 -2.409 7.958 50 HB3 HIS 7 1HB HIS 7 14.328 -1.507 7.829 51 HD1 HIS 7 HD1 HIS 7 16.138 -4.359 6.096 52 HD2 HIS 7 HD2 HIS 7 12.285 -2.918 6.674 53 HE1 HIS 7 HE1 HIS 7 14.621 -6.084 5.098 54 HE2 HIS 7 HE2 HIS 7 12.300 -5.280 5.623 55 H HIS 8 H HIS 8 16.069 -0.719 3.782 56 HA HIS 8 HA HIS 8 13.212 -0.428 3.183 57 HB2 HIS 8 2HB HIS 8 15.308 1.555 2.241 58 HB3 HIS 8 1HB HIS 8 13.623 1.529 1.728 59 HD1 HIS 8 HD1 HIS 8 11.919 1.691 3.990 60 HD2 HIS 8 HD2 HIS 8 15.718 3.362 4.193 61 HE1 HIS 8 HE1 HIS 8 11.813 3.370 5.847 62 HE2 HIS 8 HE2 HIS 8 14.057 4.504 5.816 63 H SER 9 H SER 9 12.847 -2.025 1.754 64 HA SER 9 HA SER 9 14.899 -2.840 -0.161 65 HB2 SER 9 2HB SER 9 13.315 -4.651 -0.743 66 HB3 SER 9 1HB SER 9 13.593 -4.581 0.997 67 HG SER 9 HG SER 9 11.331 -3.718 -0.471 68 H HIS 10 H HIS 10 14.471 -0.404 -0.938 69 HA HIS 10 HA HIS 10 13.550 1.127 -2.343 70 HB2 HIS 10 2HB HIS 10 13.278 -1.377 -4.018 71 HB3 HIS 10 1HB HIS 10 12.976 0.243 -4.642 72 HD1 HIS 10 HD1 HIS 10 15.124 1.928 -4.382 73 HD2 HIS 10 HD2 HIS 10 15.885 -2.156 -4.225 74 HE1 HIS 10 HE1 HIS 10 17.576 1.685 -4.833 75 HE2 HIS 10 HE2 HIS 10 17.994 -0.793 -4.859 76 H MET 11 H MET 11 11.848 0.712 -0.429 77 HA MET 11 HA MET 11 9.203 -0.012 -1.401 78 HB2 MET 11 2HB MET 11 8.501 0.418 0.922 79 HB3 MET 11 1HB MET 11 9.881 -0.674 0.861 80 HG2 MET 11 2HG MET 11 11.365 1.270 1.327 81 HG3 MET 11 1HG MET 11 9.927 2.263 1.543 82 HE1 MET 11 3HE MET 11 8.115 1.820 3.409 83 HE2 MET 11 1HE MET 11 8.282 0.633 4.703 84 HE3 MET 11 2HE MET 11 7.976 0.098 3.051 85 H LEU 12 H LEU 12 11.118 2.751 -1.368 86 HA LEU 12 HA LEU 12 8.973 4.668 -0.985 87 HB2 LEU 12 2HB LEU 12 11.475 4.843 -0.251 88 HB3 LEU 12 1HB LEU 12 11.753 5.361 -1.900 89 HG LEU 12 HG LEU 12 9.809 6.752 -0.045 90 HD11 LEU 12 1HD1 LEU 12 11.535 8.421 0.344 91 HD12 LEU 12 2HD1 LEU 12 12.685 7.483 -0.611 92 HD13 LEU 12 3HD1 LEU 12 12.066 6.837 0.910 93 HD21 LEU 12 3HD2 LEU 12 11.128 7.637 -2.614 94 HD22 LEU 12 1HD2 LEU 12 10.039 8.603 -1.619 95 HD23 LEU 12 2HD2 LEU 12 9.440 7.155 -2.426 96 HA PRO 13 HA PRO 13 9.486 5.199 -5.703 97 HB2 PRO 13 2HB PRO 13 11.310 3.878 -7.124 98 HB3 PRO 13 1HB PRO 13 11.783 5.253 -6.117 99 HG2 PRO 13 2HG PRO 13 12.068 2.322 -5.576 100 HG3 PRO 13 1HG PRO 13 13.211 3.638 -5.246 101 HD2 PRO 13 2HD PRO 13 11.455 2.513 -3.385 102 HD3 PRO 13 1HD PRO 13 12.258 4.086 -3.219 103 HA PRO 14 HA PRO 14 6.919 1.693 -6.844 104 HB2 PRO 14 2HB PRO 14 6.698 2.836 -9.542 105 HB3 PRO 14 1HB PRO 14 5.455 2.649 -8.304 106 HG2 PRO 14 2HG PRO 14 6.439 5.066 -9.003 107 HG3 PRO 14 1HG PRO 14 5.903 4.700 -7.352 108 HD2 PRO 14 2HD PRO 14 8.694 4.780 -8.467 109 HD3 PRO 14 1HD PRO 14 8.080 5.412 -6.922 110 H GLU 15 H GLU 15 9.003 0.385 -6.776 111 HA GLU 15 HA GLU 15 10.170 -0.204 -9.392 112 HB2 GLU 15 2HB GLU 15 11.663 0.102 -7.461 113 HB3 GLU 15 1HB GLU 15 10.897 -1.254 -6.647 114 HG2 GLU 15 2HG GLU 15 11.633 -2.688 -8.596 115 HG3 GLU 15 1HG GLU 15 12.595 -1.313 -9.132 116 H GLN 16 H GLN 16 9.721 -2.631 -6.864 117 HA GLN 16 HA GLN 16 8.683 -4.506 -8.818 118 HB2 GLN 16 2HB GLN 16 10.413 -5.208 -7.205 119 HB3 GLN 16 1HB GLN 16 9.315 -4.879 -5.875 120 HG2 GLN 16 2HG GLN 16 7.816 -6.640 -6.669 121 HG3 GLN 16 1HG GLN 16 8.910 -6.971 -8.012 122 HE21 GLN 16 1HE2 GLN 16 10.859 -8.041 -7.598 123 HE22 GLN 16 2HE2 GLN 16 11.169 -8.843 -6.099 124 H TRP 17 H TRP 17 7.629 -3.795 -5.475 125 HA TRP 17 HA TRP 17 5.587 -3.667 -4.498 126 HB2 TRP 17 2HB TRP 17 5.126 -2.226 -7.102 127 HB3 TRP 17 1HB TRP 17 3.875 -2.320 -5.863 128 HD1 TRP 17 HD TRP 17 7.422 -0.892 -6.391 129 HE1 TRP 17 HE1 TRP 17 7.785 1.012 -4.693 130 HE3 TRP 17 HE3 TRP 17 3.096 -1.365 -3.709 131 HZ2 TRP 17 HZ2 TRP 17 6.411 2.162 -2.510 132 HZ3 TRP 17 HZ3 TRP 17 2.696 0.174 -1.827 133 HH2 TRP 17 HH TRP 17 4.321 1.900 -1.243 134 H SER 18 H SER 18 5.946 -6.198 -5.476 135 HA SER 18 HA SER 18 3.436 -7.015 -6.707 136 HB2 SER 18 2HB SER 18 5.544 -8.185 -7.293 137 HB3 SER 18 1HB SER 18 5.696 -8.725 -5.623 138 HG SER 18 HG SER 18 4.643 -10.150 -7.321 139 H HIS 19 H HIS 19 2.799 -9.336 -5.397 140 HA HIS 19 HA HIS 19 0.959 -8.520 -3.571 141 HB2 HIS 19 2HB HIS 19 0.807 -10.879 -2.819 142 HB3 HIS 19 1HB HIS 19 0.857 -10.712 -4.570 143 HD1 HIS 19 HD1 HIS 19 2.784 -12.047 -1.672 144 HD2 HIS 19 HD2 HIS 19 3.160 -11.780 -5.802 145 HE1 HIS 19 HE1 HIS 19 4.660 -13.599 -2.281 146 HE2 HIS 19 HE2 HIS 19 4.723 -13.579 -4.788 147 H THR 20 H THR 20 4.212 -9.759 -2.675 148 HA THR 20 HA THR 20 3.737 -9.647 0.120 149 HB THR 20 HB THR 20 6.363 -9.655 -1.392 150 HG1 THR 20 HG1 THR 20 6.281 -11.845 -1.048 151 HG21 THR 20 3HG2 THR 20 6.716 -8.740 0.858 152 HG22 THR 20 1HG2 THR 20 7.388 -10.365 0.736 153 HG23 THR 20 2HG2 THR 20 5.850 -10.108 1.561 154 H THR 21 H THR 21 5.401 -7.346 -2.061 155 HA THR 21 HA THR 21 6.169 -5.479 -0.116 156 HB THR 21 HB THR 21 5.372 -4.877 -2.983 157 HG1 THR 21 HG1 THR 21 8.052 -4.954 -2.411 158 HG21 THR 21 3HG2 THR 21 6.862 -2.924 -2.741 159 HG22 THR 21 1HG2 THR 21 7.099 -3.324 -1.040 160 HG23 THR 21 2HG2 THR 21 5.501 -2.852 -1.621 161 H VAL 22 H VAL 22 3.195 -5.562 -2.104 162 HA VAL 22 HA VAL 22 1.971 -3.267 -1.061 163 HB VAL 22 HB VAL 22 0.610 -5.780 -2.069 164 HG11 VAL 22 1HG1 VAL 22 -0.946 -4.373 -0.830 165 HG12 VAL 22 2HG1 VAL 22 -1.301 -4.295 -2.556 166 HG13 VAL 22 3HG1 VAL 22 -0.452 -2.965 -1.768 167 HG21 VAL 22 3HG2 VAL 22 2.154 -4.875 -3.719 168 HG22 VAL 22 1HG2 VAL 22 1.437 -3.273 -3.542 169 HG23 VAL 22 2HG2 VAL 22 0.486 -4.594 -4.224 170 H ARG 23 H ARG 23 1.803 -6.640 0.040 171 HA ARG 23 HA ARG 23 -0.043 -6.317 2.121 172 HB2 ARG 23 2HB ARG 23 0.828 -8.484 1.148 173 HB3 ARG 23 1HB ARG 23 2.287 -8.256 2.097 174 HG2 ARG 23 2HG ARG 23 -0.393 -8.299 3.442 175 HG3 ARG 23 1HG ARG 23 0.386 -9.806 2.968 176 HD2 ARG 23 2HD ARG 23 2.360 -9.185 4.307 177 HD3 ARG 23 1HD ARG 23 1.543 -7.703 4.803 178 HE ARG 23 HE ARG 23 -0.192 -9.641 5.541 179 HH11 ARG 23 1HH1 ARG 23 3.170 -9.177 6.109 180 HH12 ARG 23 2HH1 ARG 23 3.129 -9.938 7.656 181 HH21 ARG 23 1HH2 ARG 23 -0.231 -10.637 7.536 182 HH22 ARG 23 2HH2 ARG 23 1.231 -10.766 8.446 183 H ASN 24 H ASN 24 3.492 -5.891 2.116 184 HA ASN 24 HA ASN 24 3.614 -5.271 4.928 185 HB2 ASN 24 2HB ASN 24 5.623 -5.121 2.683 186 HB3 ASN 24 1HB ASN 24 5.987 -4.481 4.285 187 HD21 ASN 24 1HD2 ASN 24 5.393 -7.362 2.426 188 HD22 ASN 24 2HD2 ASN 24 5.929 -8.477 3.631 189 H ALA 25 H ALA 25 3.138 -3.419 2.008 190 HA ALA 25 HA ALA 25 3.680 -0.850 3.098 191 HB1 ALA 25 3HB ALA 25 1.790 -1.560 0.847 192 HB2 ALA 25 1HB ALA 25 3.527 -1.295 0.675 193 HB3 ALA 25 2HB ALA 25 2.478 0.030 1.183 194 H LEU 26 H LEU 26 0.585 -2.555 2.545 195 HA LEU 26 HA LEU 26 -1.145 -0.799 3.833 196 HB2 LEU 26 2HB LEU 26 -1.293 -3.821 3.731 197 HB3 LEU 26 1HB LEU 26 -2.629 -2.758 4.130 198 HG LEU 26 HG LEU 26 -1.211 -2.819 1.457 199 HD11 LEU 26 1HD1 LEU 26 -2.457 -4.871 1.820 200 HD12 LEU 26 2HD1 LEU 26 -3.270 -3.866 0.620 201 HD13 LEU 26 3HD1 LEU 26 -3.890 -3.949 2.270 202 HD21 LEU 26 3HD2 LEU 26 -3.716 -1.369 2.319 203 HD22 LEU 26 1HD2 LEU 26 -3.030 -1.387 0.693 204 HD23 LEU 26 2HD2 LEU 26 -2.148 -0.624 2.015 205 H LYS 27 H LYS 27 1.067 -3.120 5.175 206 HA LYS 27 HA LYS 27 0.101 -3.520 7.738 207 HB2 LYS 27 2HB LYS 27 2.060 -4.644 6.607 208 HB3 LYS 27 1HB LYS 27 3.020 -3.224 6.979 209 HG2 LYS 27 2HG LYS 27 1.655 -4.835 9.123 210 HG3 LYS 27 1HG LYS 27 3.254 -5.248 8.510 211 HD2 LYS 27 2HD LYS 27 4.013 -2.951 9.130 212 HD3 LYS 27 1HD LYS 27 2.434 -2.676 9.871 213 HE2 LYS 27 2HE LYS 27 4.434 -4.797 10.659 214 HE3 LYS 27 1HE LYS 27 4.079 -3.317 11.549 215 HZ1 LYS 27 3HZ LYS 27 2.265 -5.628 11.107 216 HZ2 LYS 27 1HZ LYS 27 1.754 -4.149 11.758 217 HZ3 LYS 27 2HZ LYS 27 2.901 -5.079 12.574 218 H ASP 28 H ASP 28 2.410 -0.961 6.701 219 HA ASP 28 HA ASP 28 2.293 0.279 9.310 220 HB2 ASP 28 2HB ASP 28 3.786 0.947 6.783 221 HB3 ASP 28 1HB ASP 28 3.763 2.052 8.156 222 H LEU 29 H LEU 29 0.615 0.747 6.299 223 HA LEU 29 HA LEU 29 -0.352 3.376 6.895 224 HB2 LEU 29 2HB LEU 29 -1.140 1.226 4.964 225 HB3 LEU 29 1HB LEU 29 -2.246 2.557 5.244 226 HG LEU 29 HG LEU 29 -0.867 2.934 3.253 227 HD11 LEU 29 1HD1 LEU 29 -1.664 4.862 4.526 228 HD12 LEU 29 2HD1 LEU 29 -0.100 5.188 3.781 229 HD13 LEU 29 3HD1 LEU 29 -0.195 4.831 5.506 230 HD21 LEU 29 3HD2 LEU 29 1.533 3.337 3.428 231 HD22 LEU 29 1HD2 LEU 29 1.133 1.695 3.934 232 HD23 LEU 29 2HD2 LEU 29 1.492 2.928 5.143 233 H LEU 30 H LEU 30 -1.633 0.112 7.438 234 HA LEU 30 HA LEU 30 -4.132 0.823 8.515 235 HB2 LEU 30 2HB LEU 30 -3.481 -1.450 7.749 236 HB3 LEU 30 1HB LEU 30 -2.437 -1.604 9.149 237 HG LEU 30 HG LEU 30 -4.431 -1.444 10.624 238 HD11 LEU 30 1HD1 LEU 30 -6.667 -1.655 9.657 239 HD12 LEU 30 2HD1 LEU 30 -5.987 -1.521 8.035 240 HD13 LEU 30 3HD1 LEU 30 -5.888 -0.158 9.150 241 HD21 LEU 30 3HD2 LEU 30 -3.547 -3.632 9.967 242 HD22 LEU 30 1HD2 LEU 30 -4.583 -3.630 8.539 243 HD23 LEU 30 2HD2 LEU 30 -5.300 -3.682 10.151 244 H LYS 31 H LYS 31 -0.980 1.022 9.875 245 HA LYS 31 HA LYS 31 -1.671 0.886 12.638 246 HB2 LYS 31 2HB LYS 31 0.739 1.970 11.179 247 HB3 LYS 31 1HB LYS 31 0.611 1.967 12.933 248 HG2 LYS 31 2HG LYS 31 0.608 -0.392 13.037 249 HG3 LYS 31 1HG LYS 31 0.328 -0.544 11.302 250 HD2 LYS 31 2HD LYS 31 2.663 -1.053 11.952 251 HD3 LYS 31 1HD LYS 31 2.546 0.293 10.822 252 HE2 LYS 31 2HE LYS 31 2.769 1.864 12.715 253 HE3 LYS 31 1HE LYS 31 2.948 0.492 13.808 254 HZ1 LYS 31 3HZ LYS 31 4.749 0.986 11.504 255 HZ2 LYS 31 1HZ LYS 31 4.969 -0.122 12.764 256 HZ3 LYS 31 2HZ LYS 31 5.071 1.538 13.071 257 H ASP 32 H ASP 32 -1.744 3.472 10.288 258 HA ASP 32 HA ASP 32 -2.296 5.419 12.437 259 HB2 ASP 32 2HB ASP 32 -1.393 5.837 9.581 260 HB3 ASP 32 1HB ASP 32 -1.886 7.150 10.645 261 H MET 33 H MET 33 -3.611 4.053 9.459 262 HA MET 33 HA MET 33 -6.217 5.228 10.162 263 HB2 MET 33 2HB MET 33 -6.679 5.577 7.734 264 HB3 MET 33 1HB MET 33 -5.399 6.601 8.369 265 HG2 MET 33 2HG MET 33 -3.744 4.978 7.431 266 HG3 MET 33 1HG MET 33 -5.091 4.148 6.652 267 HE1 MET 33 3HE MET 33 -6.449 6.954 4.245 268 HE2 MET 33 1HE MET 33 -6.965 6.697 5.912 269 HE3 MET 33 2HE MET 33 -6.686 5.316 4.850 270 H ASN 34 H ASN 34 -7.896 3.862 10.102 271 HA ASN 34 HA ASN 34 -7.350 1.066 9.919 272 HB2 ASN 34 2HB ASN 34 -9.984 2.514 10.287 273 HB3 ASN 34 1HB ASN 34 -9.730 0.788 10.521 274 HD21 ASN 34 1HD2 ASN 34 -9.071 3.973 11.781 275 HD22 ASN 34 2HD2 ASN 34 -8.556 3.452 13.344 276 H GLN 35 H GLN 35 -8.566 -0.480 8.645 277 HA GLN 35 HA GLN 35 -8.347 -0.156 5.918 278 HB2 GLN 35 2HB GLN 35 -9.838 -2.173 5.734 279 HB3 GLN 35 1HB GLN 35 -8.473 -2.357 6.829 280 HG2 GLN 35 2HG GLN 35 -9.948 -1.974 8.742 281 HG3 GLN 35 1HG GLN 35 -11.315 -1.759 7.648 282 HE21 GLN 35 1HE2 GLN 35 -12.220 -3.546 6.666 283 HE22 GLN 35 2HE2 GLN 35 -11.846 -5.163 7.138 284 H SER 36 H SER 36 -11.177 0.539 7.924 285 HA SER 36 HA SER 36 -13.002 0.917 5.777 286 HB2 SER 36 2HB SER 36 -14.374 2.148 7.512 287 HB3 SER 36 1HB SER 36 -13.906 0.508 7.953 288 HG SER 36 HG SER 36 -12.772 2.949 8.863 289 H SER 37 H SER 37 -10.651 3.029 7.288 290 HA SER 37 HA SER 37 -11.596 5.394 5.891 291 HB2 SER 37 2HB SER 37 -10.507 5.632 8.085 292 HB3 SER 37 1HB SER 37 -9.028 4.925 7.438 293 HG SER 37 HG SER 37 -8.871 7.168 7.427 294 H LEU 38 H LEU 38 -9.066 2.977 5.513 295 HA LEU 38 HA LEU 38 -7.674 4.175 3.369 296 HB2 LEU 38 2HB LEU 38 -6.895 2.260 4.803 297 HB3 LEU 38 1HB LEU 38 -8.001 1.219 3.937 298 HG LEU 38 HG LEU 38 -5.570 1.088 3.248 299 HD11 LEU 38 1HD1 LEU 38 -7.484 1.841 1.044 300 HD12 LEU 38 2HD1 LEU 38 -7.387 0.256 1.812 301 HD13 LEU 38 3HD1 LEU 38 -6.018 0.875 0.888 302 HD21 LEU 38 3HD2 LEU 38 -6.162 3.794 2.046 303 HD22 LEU 38 1HD2 LEU 38 -4.723 2.823 1.736 304 HD23 LEU 38 2HD2 LEU 38 -5.027 3.458 3.354 305 H ALA 39 H ALA 39 -10.240 1.685 3.356 306 HA ALA 39 HA ALA 39 -10.539 1.647 0.519 307 HB1 ALA 39 3HB ALA 39 -12.528 0.277 0.957 308 HB2 ALA 39 1HB ALA 39 -12.398 0.650 2.676 309 HB3 ALA 39 2HB ALA 39 -11.129 -0.279 1.878 310 H LYS 40 H LYS 40 -11.344 4.041 2.643 311 HA LYS 40 HA LYS 40 -13.829 4.912 1.492 312 HB2 LYS 40 2HB LYS 40 -13.171 5.499 3.795 313 HB3 LYS 40 1HB LYS 40 -11.795 6.399 3.183 314 HG2 LYS 40 2HG LYS 40 -14.577 7.154 2.357 315 HG3 LYS 40 1HG LYS 40 -13.940 7.655 3.921 316 HD2 LYS 40 2HD LYS 40 -12.044 8.750 2.785 317 HD3 LYS 40 1HD LYS 40 -12.710 8.266 1.226 318 HE2 LYS 40 2HE LYS 40 -13.271 10.584 1.707 319 HE3 LYS 40 1HE LYS 40 -14.727 9.591 1.679 320 HZ1 LYS 40 3HZ LYS 40 -14.734 9.556 4.074 321 HZ2 LYS 40 1HZ LYS 40 -14.703 11.154 3.532 322 HZ3 LYS 40 2HZ LYS 40 -13.296 10.441 4.139 323 H GLU 41 H GLU 41 -10.451 6.080 1.270 324 HA GLU 41 HA GLU 41 -11.082 7.732 -1.038 325 HB2 GLU 41 2HB GLU 41 -8.572 7.252 0.559 326 HB3 GLU 41 1HB GLU 41 -8.535 8.150 -0.952 327 HG2 GLU 41 2HG GLU 41 -10.204 8.877 1.453 328 HG3 GLU 41 1HG GLU 41 -8.655 9.604 1.030 329 H CYS 42 H CYS 42 -9.298 4.748 -0.363 330 HA CYS 42 HA CYS 42 -8.540 4.417 -3.145 331 HB2 CYS 42 2HB CYS 42 -7.055 3.624 -1.327 332 HB3 CYS 42 1HB CYS 42 -8.288 2.468 -0.834 333 HG CYS 42 HG CYS 42 -5.945 2.158 -3.112 334 HA PRO 43 HA PRO 43 -12.560 2.665 -4.048 335 HB2 PRO 43 2HB PRO 43 -12.174 2.143 -6.675 336 HB3 PRO 43 1HB PRO 43 -12.372 3.784 -6.050 337 HG2 PRO 43 2HG PRO 43 -9.841 2.324 -6.739 338 HG3 PRO 43 1HG PRO 43 -10.320 3.982 -7.151 339 HD2 PRO 43 2HD PRO 43 -8.654 3.429 -5.086 340 HD3 PRO 43 1HD PRO 43 -9.788 4.793 -5.053 341 H LEU 44 H LEU 44 -10.149 0.829 -3.202 342 HA LEU 44 HA LEU 44 -10.712 -1.607 -4.682 343 HB2 LEU 44 2HB LEU 44 -8.913 -1.072 -2.312 344 HB3 LEU 44 1HB LEU 44 -9.029 -2.613 -3.138 345 HG LEU 44 HG LEU 44 -8.032 -0.033 -4.368 346 HD11 LEU 44 1HD1 LEU 44 -5.849 -1.162 -4.405 347 HD12 LEU 44 2HD1 LEU 44 -6.544 -2.523 -3.523 348 HD13 LEU 44 3HD1 LEU 44 -6.446 -0.935 -2.762 349 HD21 LEU 44 3HD2 LEU 44 -8.188 -2.819 -5.520 350 HD22 LEU 44 1HD2 LEU 44 -7.418 -1.427 -6.281 351 HD23 LEU 44 2HD2 LEU 44 -9.160 -1.432 -6.012 352 H SER 45 H SER 45 -11.346 -3.608 -3.616 353 HA SER 45 HA SER 45 -13.619 -3.364 -1.957 354 HB2 SER 45 2HB SER 45 -13.443 -5.280 -3.398 355 HB3 SER 45 1HB SER 45 -11.926 -5.775 -2.654 356 HG SER 45 HG SER 45 -13.697 -6.992 -1.871 357 H GLN 46 H GLN 46 -13.675 -2.864 0.116 358 HA GLN 46 HA GLN 46 -11.624 -2.428 1.848 359 HB2 GLN 46 2HB GLN 46 -13.947 -1.733 2.228 360 HB3 GLN 46 1HB GLN 46 -14.402 -3.398 2.557 361 HG2 GLN 46 2HG GLN 46 -12.936 -3.393 4.533 362 HG3 GLN 46 1HG GLN 46 -12.521 -1.709 4.204 363 HE21 GLN 46 1HE2 GLN 46 -15.005 -3.891 5.282 364 HE22 GLN 46 2HE2 GLN 46 -16.062 -2.685 5.928 365 H SER 47 H SER 47 -13.577 -5.430 1.854 366 HA SER 47 HA SER 47 -12.040 -6.733 3.843 367 HB2 SER 47 2HB SER 47 -13.842 -7.934 1.721 368 HB3 SER 47 1HB SER 47 -13.236 -8.785 3.143 369 HG SER 47 HG SER 47 -15.410 -7.826 3.295 370 H MET 48 H MET 48 -11.642 -6.497 0.378 371 HA MET 48 HA MET 48 -9.861 -8.721 0.096 372 HB2 MET 48 2HB MET 48 -11.305 -7.286 -1.668 373 HB3 MET 48 1HB MET 48 -9.756 -6.484 -1.869 374 HG2 MET 48 2HG MET 48 -10.202 -9.452 -2.160 375 HG3 MET 48 1HG MET 48 -10.153 -8.304 -3.494 376 HE1 MET 48 3HE MET 48 -8.304 -9.822 -4.668 377 HE2 MET 48 1HE MET 48 -8.352 -10.943 -3.310 378 HE3 MET 48 2HE MET 48 -6.804 -10.321 -3.883 379 H ILE 49 H ILE 49 -9.443 -5.696 1.513 380 HA ILE 49 HA ILE 49 -6.533 -5.721 1.132 381 HB ILE 49 HB ILE 49 -8.434 -3.756 2.386 382 HG12 ILE 49 2HG1 ILE 49 -7.175 -2.158 0.919 383 HG13 ILE 49 1HG1 ILE 49 -6.239 -3.513 0.307 384 HG21 ILE 49 1HG2 ILE 49 -6.707 -3.952 4.060 385 HG22 ILE 49 2HG2 ILE 49 -6.509 -2.426 3.198 386 HG23 ILE 49 3HG2 ILE 49 -5.447 -3.788 2.836 387 HD11 ILE 49 3HD1 ILE 49 -9.205 -3.110 0.002 388 HD12 ILE 49 1HD1 ILE 49 -8.302 -4.513 -0.571 389 HD13 ILE 49 2HD1 ILE 49 -7.976 -2.917 -1.246 390 H SER 50 H SER 50 -8.880 -5.833 3.827 391 HA SER 50 HA SER 50 -7.037 -6.279 5.891 392 HB2 SER 50 2HB SER 50 -9.418 -5.610 6.211 393 HB3 SER 50 1HB SER 50 -9.906 -7.251 5.790 394 HG SER 50 HG SER 50 -9.057 -6.277 8.149 395 H SER 51 H SER 51 -8.822 -8.641 3.908 396 HA SER 51 HA SER 51 -8.085 -10.956 5.303 397 HB2 SER 51 2HB SER 51 -8.724 -10.636 2.358 398 HB3 SER 51 1HB SER 51 -8.631 -12.182 3.205 399 HG SER 51 HG SER 51 -10.736 -11.684 3.328 400 H ILE 52 H ILE 52 -6.256 -9.103 2.940 401 HA ILE 52 HA ILE 52 -4.321 -11.127 2.368 402 HB ILE 52 HB ILE 52 -4.073 -8.120 2.072 403 HG12 ILE 52 2HG1 ILE 52 -4.901 -10.260 0.088 404 HG13 ILE 52 1HG1 ILE 52 -5.941 -9.015 0.771 405 HG21 ILE 52 1HG2 ILE 52 -2.270 -8.607 0.480 406 HG22 ILE 52 2HG2 ILE 52 -2.420 -10.329 0.830 407 HG23 ILE 52 3HG2 ILE 52 -1.885 -9.217 2.088 408 HD11 ILE 52 3HD1 ILE 52 -3.582 -8.539 -1.041 409 HD12 ILE 52 1HD1 ILE 52 -4.635 -7.295 -0.364 410 HD13 ILE 52 2HD1 ILE 52 -5.282 -8.475 -1.503 411 H VAL 53 H VAL 53 -4.698 -8.792 4.924 412 HA VAL 53 HA VAL 53 -2.038 -8.849 5.931 413 HB VAL 53 HB VAL 53 -4.619 -8.272 7.412 414 HG11 VAL 53 1HG1 VAL 53 -1.764 -7.601 8.145 415 HG12 VAL 53 2HG1 VAL 53 -2.806 -8.765 8.963 416 HG13 VAL 53 3HG1 VAL 53 -3.199 -7.046 9.009 417 HG21 VAL 53 3HG2 VAL 53 -4.075 -5.901 7.008 418 HG22 VAL 53 1HG2 VAL 53 -4.345 -6.787 5.506 419 HG23 VAL 53 2HG2 VAL 53 -2.703 -6.396 6.016 420 H ASN 54 H ASN 54 -4.953 -10.722 6.685 421 HA ASN 54 HA ASN 54 -3.676 -12.249 8.781 422 HB2 ASN 54 2HB ASN 54 -6.358 -12.646 7.434 423 HB3 ASN 54 1HB ASN 54 -5.824 -13.436 8.914 424 HD21 ASN 54 1HD2 ASN 54 -5.758 -12.262 10.820 425 HD22 ASN 54 2HD2 ASN 54 -6.525 -10.721 10.978 426 H SER 55 H SER 55 -4.516 -12.804 5.383 427 HA SER 55 HA SER 55 -4.177 -15.649 5.511 428 HB2 SER 55 2HB SER 55 -5.653 -14.578 3.844 429 HB3 SER 55 1HB SER 55 -4.241 -13.864 3.064 430 HG SER 55 HG SER 55 -4.977 -15.853 2.091 431 H THR 56 H THR 56 -2.168 -16.184 6.250 432 HA THR 56 HA THR 56 0.292 -15.115 5.321 433 HB THR 56 HB THR 56 1.324 -17.107 6.415 434 HG1 THR 56 HG1 THR 56 0.093 -18.760 7.099 435 HG21 THR 56 3HG2 THR 56 0.563 -16.617 8.701 436 HG22 THR 56 1HG2 THR 56 -0.843 -15.768 8.055 437 HG23 THR 56 2HG2 THR 56 0.779 -15.134 7.771 438 H TYR 57 H TYR 57 -1.737 -17.717 4.184 439 HA TYR 57 HA TYR 57 0.314 -18.893 2.504 440 HB2 TYR 57 2HB TYR 57 -1.478 -20.474 1.847 441 HB3 TYR 57 1HB TYR 57 -1.294 -20.361 3.593 442 HD1 TYR 57 HD2 TYR 57 -3.036 -19.304 4.970 443 HD2 TYR 57 HD1 TYR 57 -3.499 -19.652 0.746 444 HE1 TYR 57 HE2 TYR 57 -5.432 -18.790 5.191 445 HE2 TYR 57 HE1 TYR 57 -5.891 -19.135 0.962 446 HH TYR 57 HH TYR 57 -7.272 -17.930 3.852 447 H TYR 58 H TYR 58 -1.303 -16.117 2.126 448 HA TYR 58 HA TYR 58 -2.432 -16.506 -0.511 449 HB2 TYR 58 2HB TYR 58 -3.218 -14.892 1.401 450 HB3 TYR 58 1HB TYR 58 -2.003 -13.805 0.739 451 HD1 TYR 58 HD1 TYR 58 -4.947 -15.856 -0.287 452 HD2 TYR 58 HD2 TYR 58 -2.600 -12.379 -1.030 453 HE1 TYR 58 HE1 TYR 58 -6.583 -15.117 -1.965 454 HE2 TYR 58 HE2 TYR 58 -4.233 -11.632 -2.708 455 HH TYR 58 HH TYR 58 -7.315 -13.066 -3.050 456 H ALA 59 H ALA 59 -0.693 -17.078 -1.847 457 HA ALA 59 HA ALA 59 1.625 -15.334 -2.060 458 HB1 ALA 59 3HB ALA 59 2.456 -16.966 -3.673 459 HB2 ALA 59 1HB ALA 59 0.901 -17.799 -3.645 460 HB3 ALA 59 2HB ALA 59 1.906 -17.762 -2.197 461 H ASN 60 H ASN 60 -0.700 -16.595 -4.488 462 HA ASN 60 HA ASN 60 -0.094 -14.343 -6.233 463 HB2 ASN 60 2HB ASN 60 -1.879 -16.758 -6.631 464 HB3 ASN 60 1HB ASN 60 -1.575 -15.527 -7.854 465 HD21 ASN 60 1HD2 ASN 60 1.228 -15.183 -7.137 466 HD22 ASN 60 2HD2 ASN 60 2.044 -16.590 -7.707 467 H VAL 61 H VAL 61 -1.360 -12.636 -6.611 468 HA VAL 61 HA VAL 61 -4.045 -12.549 -5.372 469 HB VAL 61 HB VAL 61 -2.414 -11.203 -4.085 470 HG11 VAL 61 1HG1 VAL 61 -0.870 -10.619 -5.859 471 HG12 VAL 61 2HG1 VAL 61 -1.464 -9.154 -5.074 472 HG13 VAL 61 3HG1 VAL 61 -2.104 -9.633 -6.646 473 HG21 VAL 61 3HG2 VAL 61 -4.492 -9.558 -5.540 474 HG22 VAL 61 1HG2 VAL 61 -3.692 -9.090 -4.039 475 HG23 VAL 61 2HG2 VAL 61 -4.743 -10.506 -4.076 476 H SER 62 H SER 62 -5.622 -11.217 -6.441 477 HA SER 62 HA SER 62 -5.754 -11.218 -9.199 478 HB2 SER 62 2HB SER 62 -7.035 -9.192 -7.335 479 HB3 SER 62 1HB SER 62 -7.556 -9.554 -8.980 480 HG SER 62 HG SER 62 -8.205 -11.565 -8.334 481 H ALA 63 H ALA 63 -4.672 -10.138 -10.744 482 HA ALA 63 HA ALA 63 -2.512 -8.483 -10.308 483 HB1 ALA 63 3HB ALA 63 -2.920 -9.644 -12.415 484 HB2 ALA 63 1HB ALA 63 -2.598 -7.930 -12.687 485 HB3 ALA 63 2HB ALA 63 -4.251 -8.543 -12.774 486 H ALA 64 H ALA 64 -5.861 -7.505 -10.901 487 HA ALA 64 HA ALA 64 -5.657 -4.796 -11.251 488 HB1 ALA 64 3HB ALA 64 -7.767 -6.080 -11.304 489 HB2 ALA 64 1HB ALA 64 -7.896 -4.609 -10.338 490 HB3 ALA 64 2HB ALA 64 -7.733 -6.174 -9.543 491 H LYS 65 H LYS 65 -5.597 -6.518 -8.128 492 HA LYS 65 HA LYS 65 -5.697 -4.330 -6.411 493 HB2 LYS 65 2HB LYS 65 -4.239 -6.955 -6.032 494 HB3 LYS 65 1HB LYS 65 -4.565 -5.801 -4.745 495 HG2 LYS 65 2HG LYS 65 -6.654 -7.244 -6.381 496 HG3 LYS 65 1HG LYS 65 -6.156 -7.668 -4.743 497 HD2 LYS 65 2HD LYS 65 -7.446 -5.058 -5.577 498 HD3 LYS 65 1HD LYS 65 -8.257 -6.394 -4.763 499 HE2 LYS 65 2HE LYS 65 -5.953 -4.790 -3.642 500 HE3 LYS 65 1HE LYS 65 -7.646 -4.604 -3.192 501 HZ1 LYS 65 3HZ LYS 65 -7.639 -6.864 -2.347 502 HZ2 LYS 65 1HZ LYS 65 -6.434 -5.955 -1.591 503 HZ3 LYS 65 2HZ LYS 65 -6.026 -7.064 -2.797 504 H CYS 66 H CYS 66 -2.965 -5.599 -8.206 505 HA CYS 66 HA CYS 66 -0.968 -4.117 -6.761 506 HB2 CYS 66 2HB CYS 66 -0.343 -6.180 -7.869 507 HB3 CYS 66 1HB CYS 66 -0.864 -5.545 -9.426 508 HG CYS 66 HG CYS 66 1.843 -4.488 -7.606 509 H GLN 67 H GLN 67 -2.367 -3.767 -10.040 510 HA GLN 67 HA GLN 67 -0.886 -1.379 -10.574 511 HB2 GLN 67 2HB GLN 67 -3.206 -2.633 -12.049 512 HB3 GLN 67 1HB GLN 67 -2.292 -1.248 -12.635 513 HG2 GLN 67 2HG GLN 67 -0.233 -2.667 -12.556 514 HG3 GLN 67 1HG GLN 67 -1.262 -4.043 -12.167 515 HE21 GLN 67 1HE2 GLN 67 -2.594 -4.901 -13.775 516 HE22 GLN 67 2HE2 GLN 67 -2.391 -4.504 -15.444 517 H GLU 68 H GLU 68 -4.197 -1.977 -9.455 518 HA GLU 68 HA GLU 68 -5.098 0.705 -9.745 519 HB2 GLU 68 2HB GLU 68 -6.081 -1.475 -7.890 520 HB3 GLU 68 1HB GLU 68 -6.905 0.055 -8.163 521 HG2 GLU 68 2HG GLU 68 -7.117 -0.537 -10.564 522 HG3 GLU 68 1HG GLU 68 -6.404 -2.109 -10.202 523 H PHE 69 H PHE 69 -3.994 -1.077 -6.839 524 HA PHE 69 HA PHE 69 -3.952 1.130 -5.101 525 HB2 PHE 69 2HB PHE 69 -3.812 -1.188 -4.296 526 HB3 PHE 69 1HB PHE 69 -2.224 -1.364 -5.037 527 HD1 PHE 69 HD1 PHE 69 -4.083 0.589 -2.466 528 HD2 PHE 69 HD2 PHE 69 -0.292 -0.818 -3.826 529 HE1 PHE 69 HE1 PHE 69 -3.036 1.391 -0.387 530 HE2 PHE 69 HE2 PHE 69 0.752 -0.013 -1.751 531 HZ PHE 69 HZ PHE 69 -0.619 1.089 -0.027 532 H GLY 70 H GLY 70 -1.399 -0.220 -7.179 533 HA2 GLY 70 2HA GLY 70 0.692 1.506 -6.503 534 HA3 GLY 70 1HA GLY 70 0.497 0.726 -8.063 535 H ARG 71 H ARG 71 -1.900 1.955 -8.894 536 HA ARG 71 HA ARG 71 -0.972 4.413 -9.941 537 HB2 ARG 71 2HB ARG 71 -2.700 3.000 -11.031 538 HB3 ARG 71 1HB ARG 71 -3.829 3.421 -9.750 539 HG2 ARG 71 2HG ARG 71 -3.635 5.803 -10.421 540 HG3 ARG 71 1HG ARG 71 -2.604 5.306 -11.762 541 HD2 ARG 71 2HD ARG 71 -4.449 3.902 -12.621 542 HD3 ARG 71 1HD ARG 71 -5.475 4.484 -11.310 543 HE ARG 71 HE ARG 71 -4.304 6.491 -13.065 544 HH11 ARG 71 1HH1 ARG 71 -7.063 4.574 -12.309 545 HH12 ARG 71 2HH1 ARG 71 -8.163 5.643 -13.100 546 HH21 ARG 71 1HH2 ARG 71 -5.710 7.846 -14.086 547 HH22 ARG 71 2HH2 ARG 71 -7.401 7.493 -14.094 548 H TRP 72 H TRP 72 -3.354 3.706 -7.380 549 HA TRP 72 HA TRP 72 -3.959 6.347 -6.667 550 HB2 TRP 72 2HB TRP 72 -5.241 4.369 -5.899 551 HB3 TRP 72 1HB TRP 72 -3.895 3.904 -4.867 552 HD1 TRP 72 HD TRP 72 -6.579 6.661 -5.193 553 HE1 TRP 72 HE1 TRP 72 -6.934 7.725 -2.878 554 HE3 TRP 72 HE3 TRP 72 -2.864 4.260 -2.619 555 HZ2 TRP 72 HZ2 TRP 72 -5.803 7.561 -0.302 556 HZ3 TRP 72 HZ3 TRP 72 -2.568 4.771 -0.229 557 HH2 TRP 72 HH TRP 72 -4.010 6.389 0.907 558 H TYR 73 H TYR 73 -1.435 4.169 -5.451 559 HA TYR 73 HA TYR 73 -0.283 5.813 -3.509 560 HB2 TYR 73 2HB TYR 73 0.298 3.469 -3.696 561 HB3 TYR 73 1HB TYR 73 0.973 3.717 -5.301 562 HD1 TYR 73 HD2 TYR 73 1.466 4.545 -1.706 563 HD2 TYR 73 HD1 TYR 73 3.248 4.315 -5.567 564 HE1 TYR 73 HE2 TYR 73 3.679 4.918 -0.702 565 HE2 TYR 73 HE1 TYR 73 5.462 4.687 -4.571 566 HH TYR 73 HH TYR 73 6.115 4.374 -1.343 567 H LYS 74 H LYS 74 0.675 5.470 -6.944 568 HA LYS 74 HA LYS 74 2.686 7.424 -6.936 569 HB2 LYS 74 2HB LYS 74 0.909 6.461 -9.189 570 HB3 LYS 74 1HB LYS 74 2.297 7.516 -9.422 571 HG2 LYS 74 2HG LYS 74 3.781 5.794 -8.541 572 HG3 LYS 74 1HG LYS 74 2.399 4.739 -8.245 573 HD2 LYS 74 2HD LYS 74 3.222 5.778 -10.962 574 HD3 LYS 74 1HD LYS 74 3.638 4.186 -10.325 575 HE2 LYS 74 2HE LYS 74 1.268 3.609 -10.185 576 HE3 LYS 74 1HE LYS 74 0.826 5.213 -10.765 577 HZ1 LYS 74 3HZ LYS 74 2.468 3.297 -12.317 578 HZ2 LYS 74 1HZ LYS 74 1.803 4.750 -12.865 579 HZ3 LYS 74 2HZ LYS 74 0.793 3.444 -12.485 580 H HIS 75 H HIS 75 -0.749 7.750 -7.867 581 HA HIS 75 HA HIS 75 -0.756 10.478 -8.452 582 HB2 HIS 75 2HB HIS 75 -2.875 9.946 -8.957 583 HB3 HIS 75 1HB HIS 75 -2.692 8.402 -8.141 584 HD1 HIS 75 HD1 HIS 75 -3.628 8.239 -5.702 585 HD2 HIS 75 HD2 HIS 75 -4.373 11.867 -7.580 586 HE1 HIS 75 HE1 HIS 75 -5.401 9.354 -4.327 587 HE2 HIS 75 HE2 HIS 75 -5.694 11.618 -5.373 588 H PHE 76 H PHE 76 -0.957 8.845 -5.347 589 HA PHE 76 HA PHE 76 -1.607 11.083 -3.742 590 HB2 PHE 76 2HB PHE 76 -1.907 8.868 -2.863 591 HB3 PHE 76 1HB PHE 76 -0.217 8.467 -3.133 592 HD1 PHE 76 HD2 PHE 76 -2.416 10.720 -1.145 593 HD2 PHE 76 HD1 PHE 76 1.344 8.734 -1.417 594 HE1 PHE 76 HE2 PHE 76 -1.891 11.402 1.156 595 HE2 PHE 76 HE1 PHE 76 1.872 9.416 0.888 596 HZ PHE 76 HZ PHE 76 0.254 10.750 2.179 597 H LYS 77 H LYS 77 1.459 9.860 -4.978 598 HA LYS 77 HA LYS 77 3.030 11.663 -3.323 599 HB2 LYS 77 2HB LYS 77 3.900 9.771 -5.517 600 HB3 LYS 77 1HB LYS 77 4.980 10.658 -4.447 601 HG2 LYS 77 2HG LYS 77 3.971 9.474 -2.514 602 HG3 LYS 77 1HG LYS 77 3.007 8.522 -3.645 603 HD2 LYS 77 2HD LYS 77 4.950 7.250 -2.986 604 HD3 LYS 77 1HD LYS 77 5.106 7.700 -4.685 605 HE2 LYS 77 2HE LYS 77 6.562 9.586 -4.011 606 HE3 LYS 77 1HE LYS 77 6.441 9.048 -2.336 607 HZ1 LYS 77 3HZ LYS 77 7.491 6.974 -2.955 608 HZ2 LYS 77 1HZ LYS 77 8.470 8.282 -3.399 609 HZ3 LYS 77 2HZ LYS 77 7.574 7.461 -4.572 610 H LYS 78 H LYS 78 1.903 11.514 -6.655 611 HA LYS 78 HA LYS 78 3.492 13.572 -7.739 612 HB2 LYS 78 2HB LYS 78 0.661 12.744 -8.443 613 HB3 LYS 78 1HB LYS 78 1.658 13.821 -9.416 614 HG2 LYS 78 2HG LYS 78 3.267 12.051 -9.803 615 HG3 LYS 78 1HG LYS 78 2.374 10.969 -8.735 616 HD2 LYS 78 2HD LYS 78 1.893 10.435 -11.055 617 HD3 LYS 78 1HD LYS 78 0.446 11.064 -10.267 618 HE2 LYS 78 2HE LYS 78 0.757 13.219 -11.314 619 HE3 LYS 78 1HE LYS 78 2.304 12.711 -11.990 620 HZ1 LYS 78 3HZ LYS 78 1.208 11.155 -13.395 621 HZ2 LYS 78 1HZ LYS 78 0.422 12.642 -13.578 622 HZ3 LYS 78 2HZ LYS 78 -0.284 11.421 -12.648 623 H THR 79 H THR 79 0.296 13.699 -6.187 624 HA THR 79 HA THR 79 -0.680 15.234 -4.839 625 HB THR 79 HB THR 79 2.163 16.190 -4.467 626 HG1 THR 79 HG1 THR 79 0.641 14.557 -2.701 627 HG21 THR 79 3HG2 THR 79 -0.289 16.711 -2.781 628 HG22 THR 79 1HG2 THR 79 0.601 17.906 -3.725 629 HG23 THR 79 2HG2 THR 79 1.365 17.132 -2.338 630 H LYS 80 H LYS 80 1.900 17.373 -6.088 631 HA LYS 80 HA LYS 80 1.823 19.601 -6.498 632 HB2 LYS 80 2HB LYS 80 1.093 18.757 -8.686 633 HB3 LYS 80 1HB LYS 80 -0.585 18.802 -8.158 634 HG2 LYS 80 2HG LYS 80 -0.595 21.171 -8.070 635 HG3 LYS 80 1HG LYS 80 1.159 21.258 -8.221 636 HD2 LYS 80 2HD LYS 80 -0.716 20.236 -10.362 637 HD3 LYS 80 1HD LYS 80 -0.033 21.862 -10.309 638 HE2 LYS 80 2HE LYS 80 2.253 20.758 -10.295 639 HE3 LYS 80 1HE LYS 80 1.425 19.249 -10.674 640 HZ1 LYS 80 3HZ LYS 80 1.368 21.722 -12.315 641 HZ2 LYS 80 1HZ LYS 80 0.557 20.286 -12.687 642 HZ3 LYS 80 2HZ LYS 80 2.246 20.320 -12.663 643 H ASP 81 H ASP 81 1.105 19.459 -4.098 644 HA ASP 81 HA ASP 81 0.110 20.522 -2.379 645 HB2 ASP 81 2HB ASP 81 -1.210 22.210 -4.515 646 HB3 ASP 81 1HB ASP 81 -1.119 22.602 -2.798 647 H MET 82 H MET 82 -1.932 19.052 -4.755 648 HA MET 82 HA MET 82 -4.442 19.417 -3.535 649 HB2 MET 82 2HB MET 82 -4.134 18.666 -5.863 650 HB3 MET 82 1HB MET 82 -3.503 17.135 -5.284 651 HG2 MET 82 2HG MET 82 -5.733 16.738 -5.924 652 HG3 MET 82 1HG MET 82 -5.725 16.757 -4.164 653 HE1 MET 82 3HE MET 82 -7.274 18.200 -2.748 654 HE2 MET 82 1HE MET 82 -7.809 19.815 -3.212 655 HE3 MET 82 2HE MET 82 -6.091 19.483 -3.001 656 H MET 83 H MET 83 -2.112 16.722 -3.242 657 HA MET 83 HA MET 83 -3.557 15.848 -0.812 658 HB2 MET 83 2HB MET 83 -2.015 14.080 -2.736 659 HB3 MET 83 1HB MET 83 -2.880 13.544 -1.301 660 HG2 MET 83 2HG MET 83 -4.988 14.335 -2.322 661 HG3 MET 83 1HG MET 83 -4.089 14.762 -3.777 662 HE1 MET 83 3HE MET 83 -4.802 10.468 -2.247 663 HE2 MET 83 1HE MET 83 -5.516 11.919 -1.542 664 HE3 MET 83 2HE MET 83 -3.788 11.611 -1.367 Start of MODEL 13 1 H1 MET 1 1H MET 1 17.799 16.090 11.770 2 H2 MET 1 2H MET 1 19.140 15.701 12.724 3 H3 MET 1 3H MET 1 17.817 16.487 13.418 4 HA MET 1 HA MET 1 17.849 14.154 14.021 5 HB2 MET 1 2HB MET 1 15.615 14.989 12.157 6 HB3 MET 1 1HB MET 1 15.540 13.573 13.195 7 HG2 MET 1 2HG MET 1 14.365 15.470 14.170 8 HG3 MET 1 1HG MET 1 15.731 14.969 15.165 9 HE1 MET 1 3HE MET 1 15.617 17.315 16.507 10 HE2 MET 1 1HE MET 1 14.223 17.739 15.511 11 HE3 MET 1 2HE MET 1 15.559 18.874 15.684 12 H GLY 2 H GLY 2 19.582 14.351 11.562 13 HA2 GLY 2 2HA GLY 2 18.651 12.234 9.810 14 HA3 GLY 2 1HA GLY 2 20.162 13.114 9.682 15 H HIS 3 H HIS 3 18.545 10.633 11.665 16 HA HIS 3 HA HIS 3 21.182 9.381 12.115 17 HB2 HIS 3 2HB HIS 3 18.572 8.944 13.599 18 HB3 HIS 3 1HB HIS 3 20.111 8.172 13.976 19 HD1 HIS 3 HD1 HIS 3 21.753 9.483 15.390 20 HD2 HIS 3 HD2 HIS 3 18.503 11.761 14.170 21 HE1 HIS 3 HE1 HIS 3 21.969 11.662 16.606 22 HE2 HIS 3 HE2 HIS 3 20.064 13.069 15.765 23 H HIS 4 H HIS 4 21.597 7.342 11.356 24 HA HIS 4 HA HIS 4 19.678 6.447 9.309 25 HB2 HIS 4 2HB HIS 4 22.672 6.015 9.448 26 HB3 HIS 4 1HB HIS 4 21.617 5.599 8.099 27 HD1 HIS 4 HD1 HIS 4 22.989 8.616 9.913 28 HD2 HIS 4 HD2 HIS 4 21.130 7.649 6.325 29 HE1 HIS 4 HE1 HIS 4 23.035 10.719 8.549 30 HE2 HIS 4 HE2 HIS 4 22.062 10.063 6.326 31 H HIS 5 H HIS 5 18.839 4.464 9.330 32 HA HIS 5 HA HIS 5 19.919 2.440 11.187 33 HB2 HIS 5 2HB HIS 5 17.219 2.587 9.813 34 HB3 HIS 5 1HB HIS 5 17.730 1.303 10.905 35 HD1 HIS 5 HD1 HIS 5 15.497 3.867 11.070 36 HD2 HIS 5 HD2 HIS 5 18.790 2.951 13.439 37 HE1 HIS 5 HE1 HIS 5 15.107 5.038 13.253 38 HE2 HIS 5 HE2 HIS 5 17.092 4.457 14.678 39 H HIS 6 H HIS 6 18.338 2.482 7.977 40 HA HIS 6 HA HIS 6 20.431 0.728 6.923 41 HB2 HIS 6 2HB HIS 6 18.709 -0.770 5.887 42 HB3 HIS 6 1HB HIS 6 18.772 -0.865 7.642 43 HD1 HIS 6 HD1 HIS 6 16.710 -0.059 8.951 44 HD2 HIS 6 HD2 HIS 6 16.328 0.317 4.831 45 HE1 HIS 6 HE1 HIS 6 14.284 0.426 8.544 46 HE2 HIS 6 HE2 HIS 6 14.048 0.485 6.041 47 H HIS 7 H HIS 7 21.125 1.495 5.011 48 HA HIS 7 HA HIS 7 19.336 3.262 3.482 49 HB2 HIS 7 2HB HIS 7 21.369 4.001 2.262 50 HB3 HIS 7 1HB HIS 7 21.436 4.311 3.989 51 HD1 HIS 7 HD1 HIS 7 22.703 1.626 1.579 52 HD2 HIS 7 HD2 HIS 7 23.807 3.598 5.064 53 HE1 HIS 7 HE1 HIS 7 25.017 0.827 2.102 54 HE2 HIS 7 HE2 HIS 7 25.737 2.198 4.072 55 H HIS 8 H HIS 8 19.872 0.098 3.509 56 HA HIS 8 HA HIS 8 19.876 -0.296 0.615 57 HB2 HIS 8 2HB HIS 8 20.999 -1.937 2.141 58 HB3 HIS 8 1HB HIS 8 19.427 -2.333 2.822 59 HD1 HIS 8 HD1 HIS 8 21.568 -2.904 -0.180 60 HD2 HIS 8 HD2 HIS 8 17.767 -3.902 1.166 61 HE1 HIS 8 HE1 HIS 8 20.751 -4.690 -1.738 62 HE2 HIS 8 HE2 HIS 8 18.531 -5.400 -0.797 63 H SER 9 H SER 9 17.987 0.714 -0.107 64 HA SER 9 HA SER 9 15.517 -0.696 0.270 65 HB2 SER 9 2HB SER 9 15.447 0.604 2.333 66 HB3 SER 9 1HB SER 9 15.760 2.093 1.440 67 HG SER 9 HG SER 9 13.600 2.064 1.682 68 H HIS 10 H HIS 10 14.676 -0.706 -1.700 69 HA HIS 10 HA HIS 10 14.526 1.823 -3.205 70 HB2 HIS 10 2HB HIS 10 16.419 0.365 -4.047 71 HB3 HIS 10 1HB HIS 10 15.209 -0.829 -4.505 72 HD1 HIS 10 HD1 HIS 10 14.006 -0.467 -6.704 73 HD2 HIS 10 HD2 HIS 10 16.303 2.805 -5.573 74 HE1 HIS 10 HE1 HIS 10 14.025 1.062 -8.688 75 HE2 HIS 10 HE2 HIS 10 15.500 2.982 -8.022 76 H MET 11 H MET 11 12.646 0.156 -1.563 77 HA MET 11 HA MET 11 10.777 -0.954 -3.502 78 HB2 MET 11 2HB MET 11 10.587 -0.768 -0.488 79 HB3 MET 11 1HB MET 11 9.485 -1.661 -1.528 80 HG2 MET 11 2HG MET 11 11.320 -3.119 -2.224 81 HG3 MET 11 1HG MET 11 12.427 -2.218 -1.187 82 HE1 MET 11 3HE MET 11 12.089 -5.613 0.724 83 HE2 MET 11 1HE MET 11 13.196 -4.455 -0.014 84 HE3 MET 11 2HE MET 11 12.099 -5.395 -1.027 85 H LEU 12 H LEU 12 11.242 2.072 -1.976 86 HA LEU 12 HA LEU 12 8.583 2.944 -1.672 87 HB2 LEU 12 2HB LEU 12 11.139 4.483 -2.119 88 HB3 LEU 12 1HB LEU 12 9.593 5.276 -1.891 89 HG LEU 12 HG LEU 12 9.407 4.108 0.337 90 HD11 LEU 12 1HD1 LEU 12 11.440 3.202 1.345 91 HD12 LEU 12 2HD1 LEU 12 12.303 3.427 -0.178 92 HD13 LEU 12 3HD1 LEU 12 10.970 2.277 -0.083 93 HD21 LEU 12 3HD2 LEU 12 10.951 5.627 1.481 94 HD22 LEU 12 1HD2 LEU 12 10.094 6.443 0.170 95 HD23 LEU 12 2HD2 LEU 12 11.771 5.944 -0.049 96 HA PRO 13 HA PRO 13 8.678 4.403 -6.282 97 HB2 PRO 13 2HB PRO 13 10.625 3.437 -7.893 98 HB3 PRO 13 1HB PRO 13 10.830 4.933 -6.974 99 HG2 PRO 13 2HG PRO 13 11.799 2.168 -6.321 100 HG3 PRO 13 1HG PRO 13 12.678 3.708 -6.238 101 HD2 PRO 13 2HD PRO 13 11.583 2.539 -4.048 102 HD3 PRO 13 1HD PRO 13 11.702 4.302 -4.227 103 HA PRO 14 HA PRO 14 6.690 0.688 -7.840 104 HB2 PRO 14 2HB PRO 14 7.856 1.232 -10.536 105 HB3 PRO 14 1HB PRO 14 6.175 0.938 -10.075 106 HG2 PRO 14 2HG PRO 14 6.997 3.398 -10.663 107 HG3 PRO 14 1HG PRO 14 5.860 3.121 -9.328 108 HD2 PRO 14 2HD PRO 14 8.797 3.707 -9.228 109 HD3 PRO 14 1HD PRO 14 7.497 4.266 -8.154 110 H GLU 15 H GLU 15 8.189 -0.648 -6.612 111 HA GLU 15 HA GLU 15 10.072 -2.139 -8.331 112 HB2 GLU 15 2HB GLU 15 11.275 -0.685 -6.721 113 HB3 GLU 15 1HB GLU 15 10.440 -1.482 -5.396 114 HG2 GLU 15 2HG GLU 15 12.637 -2.392 -5.547 115 HG3 GLU 15 1HG GLU 15 11.496 -3.624 -6.083 116 H GLN 16 H GLN 16 8.635 -3.826 -8.745 117 HA GLN 16 HA GLN 16 7.445 -5.743 -8.416 118 HB2 GLN 16 2HB GLN 16 9.481 -6.017 -6.188 119 HB3 GLN 16 1HB GLN 16 8.457 -7.328 -6.768 120 HG2 GLN 16 2HG GLN 16 9.474 -7.158 -8.977 121 HG3 GLN 16 1HG GLN 16 10.489 -5.828 -8.417 122 HE21 GLN 16 1HE2 GLN 16 12.374 -6.969 -8.885 123 HE22 GLN 16 2HE2 GLN 16 12.911 -8.295 -7.920 124 H TRP 17 H TRP 17 5.968 -3.700 -7.388 125 HA TRP 17 HA TRP 17 5.176 -4.170 -4.678 126 HB2 TRP 17 2HB TRP 17 4.081 -2.477 -6.904 127 HB3 TRP 17 1HB TRP 17 3.141 -2.717 -5.434 128 HD1 TRP 17 HD TRP 17 6.519 -1.219 -6.571 129 HE1 TRP 17 HE1 TRP 17 7.251 0.531 -4.823 130 HE3 TRP 17 HE3 TRP 17 2.846 -1.959 -3.100 131 HZ2 TRP 17 HZ2 TRP 17 6.382 1.467 -2.315 132 HZ3 TRP 17 HZ3 TRP 17 2.867 -0.600 -1.052 133 HH2 TRP 17 HH TRP 17 4.601 1.081 -0.663 134 H SER 18 H SER 18 4.947 -6.531 -5.031 135 HA SER 18 HA SER 18 2.285 -7.329 -5.992 136 HB2 SER 18 2HB SER 18 4.093 -8.778 -6.716 137 HB3 SER 18 1HB SER 18 4.672 -8.957 -5.059 138 HG SER 18 HG SER 18 3.460 -10.760 -5.657 139 H HIS 19 H HIS 19 1.533 -9.339 -4.347 140 HA HIS 19 HA HIS 19 0.324 -8.088 -2.194 141 HB2 HIS 19 2HB HIS 19 -0.218 -10.298 -1.329 142 HB3 HIS 19 1HB HIS 19 -0.363 -10.298 -3.083 143 HD1 HIS 19 HD1 HIS 19 1.640 -11.743 -0.284 144 HD2 HIS 19 HD2 HIS 19 1.525 -11.913 -4.435 145 HE1 HIS 19 HE1 HIS 19 3.111 -13.669 -0.915 146 HE2 HIS 19 HE2 HIS 19 2.937 -13.828 -3.418 147 H THR 20 H THR 20 3.439 -9.761 -2.258 148 HA THR 20 HA THR 20 4.009 -9.827 0.475 149 HB THR 20 HB THR 20 6.012 -9.441 -1.766 150 HG1 THR 20 HG1 THR 20 6.012 -11.668 -1.923 151 HG21 THR 20 3HG2 THR 20 6.991 -9.087 0.453 152 HG22 THR 20 1HG2 THR 20 7.572 -10.597 -0.246 153 HG23 THR 20 2HG2 THR 20 6.328 -10.626 1.004 154 H THR 21 H THR 21 5.092 -7.385 -1.907 155 HA THR 21 HA THR 21 6.273 -5.641 -0.030 156 HB THR 21 HB THR 21 5.142 -4.891 -2.745 157 HG1 THR 21 HG1 THR 21 7.158 -5.483 -3.560 158 HG21 THR 21 3HG2 THR 21 5.744 -2.947 -1.394 159 HG22 THR 21 1HG2 THR 21 6.903 -3.157 -2.706 160 HG23 THR 21 2HG2 THR 21 7.332 -3.642 -1.065 161 H VAL 22 H VAL 22 3.035 -5.685 -1.494 162 HA VAL 22 HA VAL 22 2.121 -3.242 -0.437 163 HB VAL 22 HB VAL 22 0.513 -5.682 -1.239 164 HG11 VAL 22 1HG1 VAL 22 -1.393 -4.123 -1.445 165 HG12 VAL 22 2HG1 VAL 22 -0.402 -2.842 -0.748 166 HG13 VAL 22 3HG1 VAL 22 -0.817 -4.259 0.217 167 HG21 VAL 22 3HG2 VAL 22 1.850 -4.788 -3.072 168 HG22 VAL 22 1HG2 VAL 22 1.217 -3.168 -2.768 169 HG23 VAL 22 2HG2 VAL 22 0.141 -4.443 -3.339 170 H ARG 23 H ARG 23 1.900 -6.556 0.883 171 HA ARG 23 HA ARG 23 0.313 -5.881 3.122 172 HB2 ARG 23 2HB ARG 23 0.740 -8.215 2.255 173 HB3 ARG 23 1HB ARG 23 2.334 -8.133 2.993 174 HG2 ARG 23 2HG ARG 23 0.055 -7.511 4.776 175 HG3 ARG 23 1HG ARG 23 0.147 -9.172 4.200 176 HD2 ARG 23 2HD ARG 23 2.581 -7.865 5.367 177 HD3 ARG 23 1HD ARG 23 1.322 -8.486 6.432 178 HE ARG 23 HE ARG 23 1.878 -10.539 4.700 179 HH11 ARG 23 1HH1 ARG 23 3.720 -8.669 6.936 180 HH12 ARG 23 2HH1 ARG 23 4.772 -9.984 7.320 181 HH21 ARG 23 1HH2 ARG 23 3.233 -12.211 5.230 182 HH22 ARG 23 2HH2 ARG 23 4.513 -11.947 6.361 183 H ASN 24 H ASN 24 3.817 -5.874 2.621 184 HA ASN 24 HA ASN 24 4.562 -5.213 5.269 185 HB2 ASN 24 2HB ASN 24 5.956 -4.558 2.660 186 HB3 ASN 24 1HB ASN 24 6.680 -4.397 4.257 187 HD21 ASN 24 1HD2 ASN 24 7.539 -6.037 2.042 188 HD22 ASN 24 2HD2 ASN 24 7.531 -7.666 2.619 189 H ALA 25 H ALA 25 3.615 -3.220 2.505 190 HA ALA 25 HA ALA 25 4.110 -0.692 3.704 191 HB1 ALA 25 3HB ALA 25 2.682 0.205 1.917 192 HB2 ALA 25 1HB ALA 25 2.161 -1.431 1.513 193 HB3 ALA 25 2HB ALA 25 3.846 -0.962 1.291 194 H LEU 26 H LEU 26 1.175 -2.692 3.467 195 HA LEU 26 HA LEU 26 -0.611 -0.985 4.776 196 HB2 LEU 26 2HB LEU 26 -0.537 -4.008 4.739 197 HB3 LEU 26 1HB LEU 26 -1.904 -3.056 5.286 198 HG LEU 26 HG LEU 26 -0.793 -3.063 2.473 199 HD11 LEU 26 1HD1 LEU 26 -3.345 -4.259 3.557 200 HD12 LEU 26 2HD1 LEU 26 -1.917 -5.162 3.052 201 HD13 LEU 26 3HD1 LEU 26 -2.838 -4.236 1.868 202 HD21 LEU 26 3HD2 LEU 26 -3.237 -1.696 3.609 203 HD22 LEU 26 1HD2 LEU 26 -2.768 -1.733 1.909 204 HD23 LEU 26 2HD2 LEU 26 -1.753 -0.897 3.084 205 H LYS 27 H LYS 27 1.497 -3.519 6.127 206 HA LYS 27 HA LYS 27 0.657 -3.194 8.814 207 HB2 LYS 27 2HB LYS 27 3.126 -4.425 7.590 208 HB3 LYS 27 1HB LYS 27 2.830 -4.426 9.324 209 HG2 LYS 27 2HG LYS 27 1.002 -5.651 7.255 210 HG3 LYS 27 1HG LYS 27 2.165 -6.534 8.248 211 HD2 LYS 27 2HD LYS 27 0.989 -5.745 10.280 212 HD3 LYS 27 1HD LYS 27 -0.204 -4.946 9.254 213 HE2 LYS 27 2HE LYS 27 -0.874 -7.089 8.322 214 HE3 LYS 27 1HE LYS 27 0.371 -7.913 9.261 215 HZ1 LYS 27 3HZ LYS 27 -0.757 -7.135 11.287 216 HZ2 LYS 27 1HZ LYS 27 -1.741 -8.136 10.343 217 HZ3 LYS 27 2HZ LYS 27 -1.987 -6.466 10.339 218 H ASP 28 H ASP 28 2.311 -0.991 6.968 219 HA ASP 28 HA ASP 28 3.577 0.204 9.347 220 HB2 ASP 28 2HB ASP 28 5.001 -0.167 7.288 221 HB3 ASP 28 1HB ASP 28 3.996 1.017 6.459 222 H LEU 29 H LEU 29 1.719 1.166 6.446 223 HA LEU 29 HA LEU 29 1.109 3.759 7.494 224 HB2 LEU 29 2HB LEU 29 -0.065 2.319 5.112 225 HB3 LEU 29 1HB LEU 29 -0.215 4.035 5.450 226 HG LEU 29 HG LEU 29 2.363 2.577 4.832 227 HD11 LEU 29 1HD1 LEU 29 0.964 2.750 2.865 228 HD12 LEU 29 2HD1 LEU 29 2.318 3.870 2.735 229 HD13 LEU 29 3HD1 LEU 29 0.714 4.472 3.155 230 HD21 LEU 29 3HD2 LEU 29 3.360 4.829 4.731 231 HD22 LEU 29 1HD2 LEU 29 2.757 4.442 6.343 232 HD23 LEU 29 2HD2 LEU 29 1.836 5.518 5.293 233 H LEU 30 H LEU 30 -0.700 0.717 7.333 234 HA LEU 30 HA LEU 30 -3.253 1.904 7.821 235 HB2 LEU 30 2HB LEU 30 -2.940 -0.254 6.652 236 HB3 LEU 30 1HB LEU 30 -2.390 -0.971 8.154 237 HG LEU 30 HG LEU 30 -4.629 -0.554 9.150 238 HD11 LEU 30 1HD1 LEU 30 -5.288 1.366 7.790 239 HD12 LEU 30 2HD1 LEU 30 -6.499 0.088 7.718 240 HD13 LEU 30 3HD1 LEU 30 -5.394 0.334 6.364 241 HD21 LEU 30 3HD2 LEU 30 -4.670 -2.139 6.577 242 HD22 LEU 30 1HD2 LEU 30 -5.813 -2.302 7.912 243 HD23 LEU 30 2HD2 LEU 30 -4.116 -2.720 8.148 244 H LYS 31 H LYS 31 -0.672 0.999 9.923 245 HA LYS 31 HA LYS 31 -1.971 0.149 12.226 246 HB2 LYS 31 2HB LYS 31 0.527 1.840 12.001 247 HB3 LYS 31 1HB LYS 31 -0.002 1.039 13.475 248 HG2 LYS 31 2HG LYS 31 0.171 -1.142 12.283 249 HG3 LYS 31 1HG LYS 31 0.852 -0.281 10.900 250 HD2 LYS 31 2HD LYS 31 2.026 -0.314 13.693 251 HD3 LYS 31 1HD LYS 31 2.594 -1.292 12.340 252 HE2 LYS 31 2HE LYS 31 3.196 0.721 11.109 253 HE3 LYS 31 1HE LYS 31 2.551 1.731 12.403 254 HZ1 LYS 31 3HZ LYS 31 4.811 -0.170 12.727 255 HZ2 LYS 31 1HZ LYS 31 4.242 0.929 13.880 256 HZ3 LYS 31 2HZ LYS 31 4.989 1.491 12.468 257 H ASP 32 H ASP 32 -1.739 3.412 10.967 258 HA ASP 32 HA ASP 32 -2.685 4.549 13.506 259 HB2 ASP 32 2HB ASP 32 -1.593 5.884 11.022 260 HB3 ASP 32 1HB ASP 32 -2.050 6.718 12.506 261 H MET 33 H MET 33 -4.273 3.236 11.017 262 HA MET 33 HA MET 33 -6.492 5.124 11.222 263 HB2 MET 33 2HB MET 33 -6.803 5.294 8.801 264 HB3 MET 33 1HB MET 33 -5.242 5.936 9.288 265 HG2 MET 33 2HG MET 33 -4.170 3.848 8.573 266 HG3 MET 33 1HG MET 33 -5.738 3.238 8.043 267 HE1 MET 33 3HE MET 33 -6.606 5.784 5.155 268 HE2 MET 33 1HE MET 33 -7.015 5.990 6.858 269 HE3 MET 33 2HE MET 33 -7.178 4.407 6.099 270 H ASN 34 H ASN 34 -8.493 4.314 10.213 271 HA ASN 34 HA ASN 34 -8.760 1.433 10.642 272 HB2 ASN 34 2HB ASN 34 -10.795 3.662 10.421 273 HB3 ASN 34 1HB ASN 34 -11.232 1.964 10.569 274 HD21 ASN 34 1HD2 ASN 34 -9.781 4.692 12.181 275 HD22 ASN 34 2HD2 ASN 34 -9.862 4.033 13.778 276 H GLN 35 H GLN 35 -9.917 0.085 9.169 277 HA GLN 35 HA GLN 35 -9.111 0.404 6.470 278 HB2 GLN 35 2HB GLN 35 -11.106 -1.536 7.666 279 HB3 GLN 35 1HB GLN 35 -10.396 -1.668 6.061 280 HG2 GLN 35 2HG GLN 35 -8.187 -1.946 7.027 281 HG3 GLN 35 1HG GLN 35 -8.849 -1.738 8.649 282 HE21 GLN 35 1HE2 GLN 35 -7.394 -4.009 7.534 283 HE22 GLN 35 2HE2 GLN 35 -8.439 -5.374 7.704 284 H SER 36 H SER 36 -11.969 1.327 8.168 285 HA SER 36 HA SER 36 -13.892 1.469 6.156 286 HB2 SER 36 2HB SER 36 -14.954 3.227 7.545 287 HB3 SER 36 1HB SER 36 -14.406 1.867 8.522 288 HG SER 36 HG SER 36 -13.401 3.333 9.632 289 H SER 37 H SER 37 -11.770 4.125 7.264 290 HA SER 37 HA SER 37 -12.385 5.911 5.165 291 HB2 SER 37 2HB SER 37 -11.304 6.679 7.232 292 HB3 SER 37 1HB SER 37 -9.855 5.757 6.837 293 HG SER 37 HG SER 37 -9.546 7.097 5.028 294 H LEU 38 H LEU 38 -9.850 3.457 5.484 295 HA LEU 38 HA LEU 38 -8.306 4.098 3.245 296 HB2 LEU 38 2HB LEU 38 -7.904 2.388 5.147 297 HB3 LEU 38 1HB LEU 38 -8.805 1.265 4.153 298 HG LEU 38 HG LEU 38 -6.339 1.017 3.962 299 HD11 LEU 38 1HD1 LEU 38 -6.223 0.869 1.537 300 HD12 LEU 38 2HD1 LEU 38 -7.669 1.868 1.391 301 HD13 LEU 38 3HD1 LEU 38 -7.772 0.270 2.130 302 HD21 LEU 38 3HD2 LEU 38 -5.726 3.367 4.229 303 HD22 LEU 38 1HD2 LEU 38 -6.446 3.740 2.662 304 HD23 LEU 38 2HD2 LEU 38 -5.032 2.689 2.756 305 H ALA 39 H ALA 39 -11.006 1.760 3.479 306 HA ALA 39 HA ALA 39 -11.048 1.111 0.717 307 HB1 ALA 39 3HB ALA 39 -13.174 0.024 1.182 308 HB2 ALA 39 1HB ALA 39 -13.272 0.843 2.743 309 HB3 ALA 39 2HB ALA 39 -12.003 -0.345 2.447 310 H LYS 40 H LYS 40 -12.151 3.881 2.375 311 HA LYS 40 HA LYS 40 -14.135 4.662 0.415 312 HB2 LYS 40 2HB LYS 40 -14.389 5.381 2.734 313 HB3 LYS 40 1HB LYS 40 -12.829 6.179 2.695 314 HG2 LYS 40 2HG LYS 40 -15.012 7.041 0.826 315 HG3 LYS 40 1HG LYS 40 -15.001 7.585 2.503 316 HD2 LYS 40 2HD LYS 40 -12.726 8.507 2.160 317 HD3 LYS 40 1HD LYS 40 -12.801 8.015 0.467 318 HE2 LYS 40 2HE LYS 40 -14.796 9.469 0.187 319 HE3 LYS 40 1HE LYS 40 -14.585 10.020 1.849 320 HZ1 LYS 40 3HZ LYS 40 -13.578 11.601 0.420 321 HZ2 LYS 40 1HZ LYS 40 -12.714 10.415 -0.420 322 HZ3 LYS 40 2HZ LYS 40 -12.325 10.767 1.185 323 H GLU 41 H GLU 41 -10.919 5.885 1.369 324 HA GLU 41 HA GLU 41 -10.775 7.641 -0.905 325 HB2 GLU 41 2HB GLU 41 -8.561 8.232 -0.037 326 HB3 GLU 41 1HB GLU 41 -9.792 8.297 1.218 327 HG2 GLU 41 2HG GLU 41 -9.036 6.015 1.950 328 HG3 GLU 41 1HG GLU 41 -7.691 6.173 0.819 329 H CYS 42 H CYS 42 -10.002 4.361 -0.399 330 HA CYS 42 HA CYS 42 -8.500 4.313 -2.948 331 HB2 CYS 42 2HB CYS 42 -7.111 3.617 -1.003 332 HB3 CYS 42 1HB CYS 42 -8.266 2.334 -0.665 333 HG CYS 42 HG CYS 42 -5.751 2.402 -2.829 334 HA PRO 43 HA PRO 43 -12.116 2.140 -4.333 335 HB2 PRO 43 2HB PRO 43 -11.253 1.367 -6.783 336 HB3 PRO 43 1HB PRO 43 -11.616 3.053 -6.392 337 HG2 PRO 43 2HG PRO 43 -8.961 1.661 -6.481 338 HG3 PRO 43 1HG PRO 43 -9.410 3.251 -7.126 339 HD2 PRO 43 2HD PRO 43 -8.110 2.937 -4.760 340 HD3 PRO 43 1HD PRO 43 -9.236 4.274 -5.067 341 H LEU 44 H LEU 44 -9.742 0.558 -2.953 342 HA LEU 44 HA LEU 44 -10.056 -2.072 -4.156 343 HB2 LEU 44 2HB LEU 44 -8.552 -1.198 -1.680 344 HB3 LEU 44 1HB LEU 44 -8.491 -2.802 -2.386 345 HG LEU 44 HG LEU 44 -7.523 -0.267 -3.725 346 HD11 LEU 44 1HD1 LEU 44 -5.280 -1.237 -3.416 347 HD12 LEU 44 2HD1 LEU 44 -5.990 -2.543 -2.466 348 HD13 LEU 44 3HD1 LEU 44 -6.076 -0.881 -1.883 349 HD21 LEU 44 3HD2 LEU 44 -8.336 -1.878 -5.360 350 HD22 LEU 44 1HD2 LEU 44 -7.358 -3.150 -4.621 351 HD23 LEU 44 2HD2 LEU 44 -6.576 -1.782 -5.413 352 H SER 45 H SER 45 -11.254 -3.743 -3.347 353 HA SER 45 HA SER 45 -13.425 -3.207 -1.616 354 HB2 SER 45 2HB SER 45 -12.291 -5.831 -2.617 355 HB3 SER 45 1HB SER 45 -13.778 -5.710 -1.674 356 HG SER 45 HG SER 45 -14.764 -4.685 -3.315 357 H GLN 46 H GLN 46 -13.688 -3.381 0.527 358 HA GLN 46 HA GLN 46 -11.496 -3.430 2.256 359 HB2 GLN 46 2HB GLN 46 -13.667 -2.389 2.786 360 HB3 GLN 46 1HB GLN 46 -14.396 -3.984 2.922 361 HG2 GLN 46 2HG GLN 46 -12.895 -4.496 4.803 362 HG3 GLN 46 1HG GLN 46 -12.203 -2.880 4.675 363 HE21 GLN 46 1HE2 GLN 46 -14.998 -4.731 5.582 364 HE22 GLN 46 2HE2 GLN 46 -15.800 -3.466 6.442 365 H SER 47 H SER 47 -13.775 -6.059 1.450 366 HA SER 47 HA SER 47 -12.760 -7.960 3.269 367 HB2 SER 47 2HB SER 47 -14.133 -8.374 0.604 368 HB3 SER 47 1HB SER 47 -13.785 -9.672 1.746 369 HG SER 47 HG SER 47 -15.395 -9.044 2.952 370 H MET 48 H MET 48 -11.855 -7.324 -0.123 371 HA MET 48 HA MET 48 -9.786 -9.184 -0.376 372 HB2 MET 48 2HB MET 48 -10.125 -6.420 -1.551 373 HB3 MET 48 1HB MET 48 -8.781 -7.466 -1.981 374 HG2 MET 48 2HG MET 48 -11.683 -8.184 -2.341 375 HG3 MET 48 1HG MET 48 -10.645 -7.523 -3.604 376 HE1 MET 48 3HE MET 48 -8.521 -8.830 -4.604 377 HE2 MET 48 1HE MET 48 -7.970 -10.385 -3.981 378 HE3 MET 48 2HE MET 48 -7.880 -8.946 -2.966 379 H ILE 49 H ILE 49 -9.659 -5.849 0.884 380 HA ILE 49 HA ILE 49 -6.909 -5.745 1.430 381 HB ILE 49 HB ILE 49 -9.156 -4.345 2.909 382 HG12 ILE 49 2HG1 ILE 49 -7.451 -3.397 0.584 383 HG13 ILE 49 1HG1 ILE 49 -9.124 -3.929 0.458 384 HG21 ILE 49 1HG2 ILE 49 -7.116 -4.269 4.211 385 HG22 ILE 49 2HG2 ILE 49 -7.425 -2.679 3.513 386 HG23 ILE 49 3HG2 ILE 49 -6.198 -3.729 2.805 387 HD11 ILE 49 3HD1 ILE 49 -8.154 -1.544 2.020 388 HD12 ILE 49 1HD1 ILE 49 -9.831 -2.069 1.864 389 HD13 ILE 49 2HD1 ILE 49 -8.947 -1.504 0.446 390 H SER 50 H SER 50 -9.605 -6.640 3.591 391 HA SER 50 HA SER 50 -8.137 -7.177 5.911 392 HB2 SER 50 2HB SER 50 -10.567 -7.034 5.969 393 HB3 SER 50 1HB SER 50 -10.708 -8.459 4.941 394 HG SER 50 HG SER 50 -9.783 -8.305 7.622 395 H SER 51 H SER 51 -8.791 -9.237 3.132 396 HA SER 51 HA SER 51 -7.747 -11.615 4.381 397 HB2 SER 51 2HB SER 51 -9.530 -11.584 2.597 398 HB3 SER 51 1HB SER 51 -8.276 -11.146 1.438 399 HG SER 51 HG SER 51 -7.926 -13.201 1.293 400 H ILE 52 H ILE 52 -6.572 -9.348 1.900 401 HA ILE 52 HA ILE 52 -4.157 -10.759 1.382 402 HB ILE 52 HB ILE 52 -4.921 -7.903 0.749 403 HG12 ILE 52 2HG1 ILE 52 -4.894 -10.413 -0.951 404 HG13 ILE 52 1HG1 ILE 52 -6.332 -9.617 -0.323 405 HG21 ILE 52 1HG2 ILE 52 -2.571 -9.517 -0.263 406 HG22 ILE 52 2HG2 ILE 52 -2.493 -8.097 0.782 407 HG23 ILE 52 3HG2 ILE 52 -3.069 -7.939 -0.878 408 HD11 ILE 52 3HD1 ILE 52 -4.395 -8.454 -2.314 409 HD12 ILE 52 1HD1 ILE 52 -5.833 -7.652 -1.683 410 HD13 ILE 52 2HD1 ILE 52 -5.994 -9.106 -2.667 411 H VAL 53 H VAL 53 -4.959 -8.131 3.633 412 HA VAL 53 HA VAL 53 -2.335 -7.381 4.313 413 HB VAL 53 HB VAL 53 -4.403 -6.140 5.001 414 HG11 VAL 53 1HG1 VAL 53 -5.741 -8.006 5.793 415 HG12 VAL 53 2HG1 VAL 53 -5.557 -6.797 7.063 416 HG13 VAL 53 3HG1 VAL 53 -4.610 -8.286 7.118 417 HG21 VAL 53 3HG2 VAL 53 -2.473 -6.801 7.235 418 HG22 VAL 53 1HG2 VAL 53 -3.516 -5.380 7.156 419 HG23 VAL 53 2HG2 VAL 53 -2.230 -5.595 5.971 420 H ASN 54 H ASN 54 -4.150 -10.219 5.134 421 HA ASN 54 HA ASN 54 -2.158 -11.075 7.108 422 HB2 ASN 54 2HB ASN 54 -4.745 -12.337 6.170 423 HB3 ASN 54 1HB ASN 54 -3.643 -13.105 7.310 424 HD21 ASN 54 1HD2 ASN 54 -5.984 -10.581 6.855 425 HD22 ASN 54 2HD2 ASN 54 -6.116 -10.147 8.519 426 H SER 55 H SER 55 -3.319 -11.892 3.862 427 HA SER 55 HA SER 55 -2.442 -13.139 2.164 428 HB2 SER 55 2HB SER 55 0.138 -12.827 3.734 429 HB3 SER 55 1HB SER 55 0.037 -13.455 2.093 430 HG SER 55 HG SER 55 -1.051 -10.929 2.712 431 H THR 56 H THR 56 -3.424 -14.479 4.700 432 HA THR 56 HA THR 56 -1.935 -16.684 5.433 433 HB THR 56 HB THR 56 -3.862 -16.200 6.723 434 HG1 THR 56 HG1 THR 56 -4.182 -18.259 7.065 435 HG21 THR 56 3HG2 THR 56 -5.251 -15.168 4.974 436 HG22 THR 56 1HG2 THR 56 -6.161 -16.375 5.885 437 HG23 THR 56 2HG2 THR 56 -5.553 -16.760 4.275 438 H TYR 57 H TYR 57 -4.482 -16.704 2.897 439 HA TYR 57 HA TYR 57 -3.096 -19.014 1.688 440 HB2 TYR 57 2HB TYR 57 -6.096 -18.591 1.806 441 HB3 TYR 57 1HB TYR 57 -5.278 -19.920 0.991 442 HD1 TYR 57 HD2 TYR 57 -3.638 -21.310 2.544 443 HD2 TYR 57 HD1 TYR 57 -6.889 -18.956 3.969 444 HE1 TYR 57 HE2 TYR 57 -3.664 -22.613 4.626 445 HE2 TYR 57 HE1 TYR 57 -6.924 -20.263 6.053 446 HH TYR 57 HH TYR 57 -6.218 -22.494 6.846 447 H TYR 58 H TYR 58 -1.982 -17.581 0.290 448 HA TYR 58 HA TYR 58 -3.576 -16.777 -2.027 449 HB2 TYR 58 2HB TYR 58 -1.903 -14.914 -0.363 450 HB3 TYR 58 1HB TYR 58 -2.052 -14.632 -2.095 451 HD1 TYR 58 HD2 TYR 58 -4.257 -14.108 -3.083 452 HD2 TYR 58 HD1 TYR 58 -3.746 -14.463 1.129 453 HE1 TYR 58 HE2 TYR 58 -6.404 -12.968 -2.734 454 HE2 TYR 58 HE1 TYR 58 -5.898 -13.329 1.487 455 HH TYR 58 HH TYR 58 -8.125 -12.761 -1.059 456 H ALA 59 H ALA 59 -0.184 -16.537 -0.883 457 HA ALA 59 HA ALA 59 1.809 -16.975 -1.878 458 HB1 ALA 59 3HB ALA 59 2.009 -18.855 -3.407 459 HB2 ALA 59 1HB ALA 59 0.260 -18.874 -3.646 460 HB3 ALA 59 2HB ALA 59 0.939 -19.270 -2.068 461 H ASN 60 H ASN 60 -0.503 -17.070 -4.610 462 HA ASN 60 HA ASN 60 1.067 -15.119 -6.091 463 HB2 ASN 60 2HB ASN 60 -1.604 -16.359 -6.817 464 HB3 ASN 60 1HB ASN 60 -0.492 -15.530 -7.901 465 HD21 ASN 60 1HD2 ASN 60 1.470 -16.566 -8.455 466 HD22 ASN 60 2HD2 ASN 60 1.643 -18.277 -8.310 467 H VAL 61 H VAL 61 -0.930 -13.625 -7.368 468 HA VAL 61 HA VAL 61 -2.706 -12.449 -5.417 469 HB VAL 61 HB VAL 61 -0.563 -11.394 -4.800 470 HG11 VAL 61 1HG1 VAL 61 0.559 -9.839 -6.312 471 HG12 VAL 61 2HG1 VAL 61 -0.579 -10.246 -7.597 472 HG13 VAL 61 3HG1 VAL 61 0.539 -11.468 -6.986 473 HG21 VAL 61 3HG2 VAL 61 -2.646 -10.169 -4.451 474 HG22 VAL 61 1HG2 VAL 61 -2.531 -9.486 -6.076 475 HG23 VAL 61 2HG2 VAL 61 -1.332 -9.063 -4.854 476 H SER 62 H SER 62 -4.285 -11.119 -6.315 477 HA SER 62 HA SER 62 -4.694 -11.265 -9.156 478 HB2 SER 62 2HB SER 62 -6.244 -9.769 -7.022 479 HB3 SER 62 1HB SER 62 -6.755 -9.953 -8.700 480 HG SER 62 HG SER 62 -7.562 -11.798 -8.148 481 H ALA 63 H ALA 63 -4.505 -9.676 -10.686 482 HA ALA 63 HA ALA 63 -2.559 -7.704 -10.416 483 HB1 ALA 63 3HB ALA 63 -3.295 -6.889 -12.591 484 HB2 ALA 63 1HB ALA 63 -4.794 -7.806 -12.440 485 HB3 ALA 63 2HB ALA 63 -3.251 -8.652 -12.560 486 H ALA 64 H ALA 64 -6.025 -7.464 -9.851 487 HA ALA 64 HA ALA 64 -6.434 -4.721 -9.890 488 HB1 ALA 64 3HB ALA 64 -8.218 -6.385 -9.587 489 HB2 ALA 64 1HB ALA 64 -8.299 -5.103 -8.379 490 HB3 ALA 64 2HB ALA 64 -7.650 -6.685 -7.946 491 H LYS 65 H LYS 65 -4.867 -6.666 -7.408 492 HA LYS 65 HA LYS 65 -4.799 -4.797 -5.311 493 HB2 LYS 65 2HB LYS 65 -4.200 -7.115 -4.947 494 HB3 LYS 65 1HB LYS 65 -2.847 -6.990 -6.058 495 HG2 LYS 65 2HG LYS 65 -1.812 -6.918 -3.990 496 HG3 LYS 65 1HG LYS 65 -1.941 -5.211 -4.401 497 HD2 LYS 65 2HD LYS 65 -3.939 -6.663 -2.658 498 HD3 LYS 65 1HD LYS 65 -2.535 -5.817 -2.020 499 HE2 LYS 65 2HE LYS 65 -4.775 -4.573 -3.621 500 HE3 LYS 65 1HE LYS 65 -4.555 -4.447 -1.877 501 HZ1 LYS 65 3HZ LYS 65 -2.649 -3.437 -3.920 502 HZ2 LYS 65 1HZ LYS 65 -2.486 -3.287 -2.243 503 HZ3 LYS 65 2HZ LYS 65 -3.741 -2.491 -3.044 504 H CYS 66 H CYS 66 -2.848 -5.067 -8.208 505 HA CYS 66 HA CYS 66 -0.984 -3.006 -7.269 506 HB2 CYS 66 2HB CYS 66 -0.007 -4.986 -8.334 507 HB3 CYS 66 1HB CYS 66 -0.943 -4.676 -9.794 508 HG CYS 66 HG CYS 66 2.045 -3.722 -9.176 509 H GLN 67 H GLN 67 -3.416 -3.534 -9.783 510 HA GLN 67 HA GLN 67 -2.849 -1.317 -11.395 511 HB2 GLN 67 2HB GLN 67 -5.418 -2.836 -10.949 512 HB3 GLN 67 1HB GLN 67 -5.256 -1.570 -12.160 513 HG2 GLN 67 2HG GLN 67 -3.511 -2.843 -13.284 514 HG3 GLN 67 1HG GLN 67 -3.607 -4.094 -12.046 515 HE21 GLN 67 1HE2 GLN 67 -4.088 -5.635 -13.631 516 HE22 GLN 67 2HE2 GLN 67 -5.659 -5.744 -14.346 517 H GLU 68 H GLU 68 -5.769 -1.477 -9.313 518 HA GLU 68 HA GLU 68 -6.267 1.291 -9.461 519 HB2 GLU 68 2HB GLU 68 -7.239 -0.814 -7.531 520 HB3 GLU 68 1HB GLU 68 -7.792 0.854 -7.465 521 HG2 GLU 68 2HG GLU 68 -8.069 -0.962 -9.858 522 HG3 GLU 68 1HG GLU 68 -9.340 -0.637 -8.680 523 H PHE 69 H PHE 69 -4.619 -0.610 -6.967 524 HA PHE 69 HA PHE 69 -4.188 1.481 -5.129 525 HB2 PHE 69 2HB PHE 69 -3.890 -0.864 -4.507 526 HB3 PHE 69 1HB PHE 69 -2.545 -1.019 -5.632 527 HD1 PHE 69 HD1 PHE 69 -3.635 0.789 -2.568 528 HD2 PHE 69 HD2 PHE 69 -0.356 -0.568 -4.929 529 HE1 PHE 69 HE1 PHE 69 -2.075 1.454 -0.784 530 HE2 PHE 69 HE2 PHE 69 1.203 0.097 -3.146 531 HZ PHE 69 HZ PHE 69 0.345 1.108 -1.074 532 H GLY 70 H GLY 70 -2.233 0.337 -7.868 533 HA2 GLY 70 2HA GLY 70 -0.022 2.061 -7.453 534 HA3 GLY 70 1HA GLY 70 -0.434 1.255 -8.959 535 H ARG 71 H ARG 71 -2.973 2.408 -9.391 536 HA ARG 71 HA ARG 71 -2.389 4.788 -10.711 537 HB2 ARG 71 2HB ARG 71 -4.369 3.363 -11.147 538 HB3 ARG 71 1HB ARG 71 -5.071 3.882 -9.623 539 HG2 ARG 71 2HG ARG 71 -4.337 5.955 -11.645 540 HG3 ARG 71 1HG ARG 71 -5.782 4.981 -11.910 541 HD2 ARG 71 2HD ARG 71 -6.691 5.706 -9.766 542 HD3 ARG 71 1HD ARG 71 -5.219 6.620 -9.429 543 HE ARG 71 HE ARG 71 -5.840 7.970 -11.456 544 HH11 ARG 71 1HH1 ARG 71 -8.258 6.323 -9.623 545 HH12 ARG 71 2HH1 ARG 71 -9.490 7.462 -10.035 546 HH21 ARG 71 1HH2 ARG 71 -7.424 9.415 -11.969 547 HH22 ARG 71 2HH2 ARG 71 -9.027 9.182 -11.370 548 H TRP 72 H TRP 72 -3.874 4.338 -7.495 549 HA TRP 72 HA TRP 72 -4.025 7.136 -6.927 550 HB2 TRP 72 2HB TRP 72 -5.537 5.602 -5.812 551 HB3 TRP 72 1HB TRP 72 -4.189 4.713 -5.112 552 HD1 TRP 72 HD TRP 72 -6.069 8.062 -4.754 553 HE1 TRP 72 HE1 TRP 72 -5.565 9.030 -2.421 554 HE3 TRP 72 HE3 TRP 72 -2.540 4.686 -3.203 555 HZ2 TRP 72 HZ2 TRP 72 -3.893 8.445 -0.223 556 HZ3 TRP 72 HZ3 TRP 72 -1.544 4.963 -0.973 557 HH2 TRP 72 HH TRP 72 -2.208 6.805 0.489 558 H TYR 73 H TYR 73 -1.792 4.562 -5.856 559 HA TYR 73 HA TYR 73 -0.295 6.130 -4.081 560 HB2 TYR 73 2HB TYR 73 -0.205 3.688 -4.043 561 HB3 TYR 73 1HB TYR 73 0.562 3.670 -5.627 562 HD1 TYR 73 HD2 TYR 73 1.147 5.409 -2.355 563 HD2 TYR 73 HD1 TYR 73 2.830 3.180 -5.572 564 HE1 TYR 73 HE2 TYR 73 3.356 5.547 -1.285 565 HE2 TYR 73 HE1 TYR 73 5.045 3.312 -4.508 566 HH TYR 73 HH TYR 73 5.509 4.226 -1.320 567 H LYS 74 H LYS 74 0.417 5.329 -7.497 568 HA LYS 74 HA LYS 74 2.824 6.741 -7.724 569 HB2 LYS 74 2HB LYS 74 2.059 5.172 -9.421 570 HB3 LYS 74 1HB LYS 74 0.691 6.209 -9.802 571 HG2 LYS 74 2HG LYS 74 2.166 7.900 -10.702 572 HG3 LYS 74 1HG LYS 74 3.585 6.969 -10.210 573 HD2 LYS 74 2HD LYS 74 3.059 6.717 -12.620 574 HD3 LYS 74 1HD LYS 74 2.999 5.188 -11.745 575 HE2 LYS 74 2HE LYS 74 0.521 5.459 -11.575 576 HE3 LYS 74 1HE LYS 74 0.651 6.885 -12.602 577 HZ1 LYS 74 3HZ LYS 74 1.556 4.176 -13.389 578 HZ2 LYS 74 1HZ LYS 74 1.475 5.541 -14.376 579 HZ3 LYS 74 2HZ LYS 74 0.056 4.825 -13.801 580 H HIS 75 H HIS 75 -0.513 7.848 -8.320 581 HA HIS 75 HA HIS 75 0.070 10.528 -8.957 582 HB2 HIS 75 2HB HIS 75 -2.141 9.615 -9.343 583 HB3 HIS 75 1HB HIS 75 -2.355 9.288 -7.628 584 HD1 HIS 75 HD1 HIS 75 -3.112 11.208 -6.140 585 HD2 HIS 75 HD2 HIS 75 -2.457 12.344 -10.083 586 HE1 HIS 75 HE1 HIS 75 -4.052 13.520 -6.336 587 HE2 HIS 75 HE2 HIS 75 -3.841 14.096 -8.775 588 H PHE 76 H PHE 76 -0.333 8.885 -5.877 589 HA PHE 76 HA PHE 76 -0.381 11.200 -4.225 590 HB2 PHE 76 2HB PHE 76 -1.320 9.014 -3.565 591 HB3 PHE 76 1HB PHE 76 0.297 8.325 -3.545 592 HD1 PHE 76 HD2 PHE 76 -1.777 10.991 -1.969 593 HD2 PHE 76 HD1 PHE 76 1.536 8.334 -1.571 594 HE1 PHE 76 HE2 PHE 76 -1.565 11.613 0.401 595 HE2 PHE 76 HE1 PHE 76 1.749 8.957 0.799 596 HZ PHE 76 HZ PHE 76 0.201 10.596 1.788 597 H LYS 77 H LYS 77 2.222 9.142 -5.432 598 HA LYS 77 HA LYS 77 4.288 10.147 -3.760 599 HB2 LYS 77 2HB LYS 77 4.524 8.997 -6.553 600 HB3 LYS 77 1HB LYS 77 5.849 9.217 -5.418 601 HG2 LYS 77 2HG LYS 77 4.734 7.617 -3.884 602 HG3 LYS 77 1HG LYS 77 3.508 7.343 -5.122 603 HD2 LYS 77 2HD LYS 77 5.093 5.580 -5.328 604 HD3 LYS 77 1HD LYS 77 5.377 6.674 -6.683 605 HE2 LYS 77 2HE LYS 77 7.504 6.026 -5.756 606 HE3 LYS 77 1HE LYS 77 7.218 7.723 -5.372 607 HZ1 LYS 77 3HZ LYS 77 6.860 5.411 -3.534 608 HZ2 LYS 77 1HZ LYS 77 6.471 7.017 -3.153 609 HZ3 LYS 77 2HZ LYS 77 8.077 6.587 -3.457 610 H LYS 78 H LYS 78 3.176 11.093 -6.999 611 HA LYS 78 HA LYS 78 5.198 13.099 -7.334 612 HB2 LYS 78 2HB LYS 78 4.229 11.940 -9.258 613 HB3 LYS 78 1HB LYS 78 2.643 12.601 -8.879 614 HG2 LYS 78 2HG LYS 78 3.413 14.840 -9.359 615 HG3 LYS 78 1HG LYS 78 5.057 14.254 -9.619 616 HD2 LYS 78 2HD LYS 78 3.935 14.642 -11.748 617 HD3 LYS 78 1HD LYS 78 4.278 12.926 -11.535 618 HE2 LYS 78 2HE LYS 78 1.951 12.546 -10.851 619 HE3 LYS 78 1HE LYS 78 1.611 14.266 -11.042 620 HZ1 LYS 78 3HZ LYS 78 2.505 12.470 -13.236 621 HZ2 LYS 78 1HZ LYS 78 2.056 14.093 -13.381 622 HZ3 LYS 78 2HZ LYS 78 0.904 12.931 -12.959 623 H THR 79 H THR 79 1.647 13.335 -6.900 624 HA THR 79 HA THR 79 0.284 15.052 -6.291 625 HB THR 79 HB THR 79 2.612 15.869 -4.522 626 HG1 THR 79 HG1 THR 79 2.075 13.792 -3.968 627 HG21 THR 79 3HG2 THR 79 -0.352 16.434 -4.260 628 HG22 THR 79 1HG2 THR 79 0.888 17.614 -4.687 629 HG23 THR 79 2HG2 THR 79 0.890 16.874 -3.086 630 H LYS 80 H LYS 80 0.608 15.831 -8.545 631 HA LYS 80 HA LYS 80 0.865 17.465 -10.096 632 HB2 LYS 80 2HB LYS 80 1.007 19.227 -7.641 633 HB3 LYS 80 1HB LYS 80 0.821 19.822 -9.286 634 HG2 LYS 80 2HG LYS 80 -1.299 18.574 -9.474 635 HG3 LYS 80 1HG LYS 80 -1.118 18.057 -7.796 636 HD2 LYS 80 2HD LYS 80 -1.211 20.377 -7.051 637 HD3 LYS 80 1HD LYS 80 -1.309 20.930 -8.727 638 HE2 LYS 80 2HE LYS 80 -3.437 19.690 -8.972 639 HE3 LYS 80 1HE LYS 80 -3.343 19.233 -7.271 640 HZ1 LYS 80 3HZ LYS 80 -3.443 22.034 -8.246 641 HZ2 LYS 80 1HZ LYS 80 -3.531 21.515 -6.641 642 HZ3 LYS 80 2HZ LYS 80 -4.791 21.164 -7.716 643 H ASP 81 H ASP 81 2.350 19.682 -10.461 644 HA ASP 81 HA ASP 81 5.107 18.694 -10.314 645 HB2 ASP 81 2HB ASP 81 4.118 19.437 -12.494 646 HB3 ASP 81 1HB ASP 81 3.994 21.067 -11.842 647 H MET 82 H MET 82 3.298 21.701 -9.663 648 HA MET 82 HA MET 82 3.389 23.190 -7.961 649 HB2 MET 82 2HB MET 82 3.659 21.237 -6.487 650 HB3 MET 82 1HB MET 82 5.400 21.316 -6.700 651 HG2 MET 82 2HG MET 82 5.438 23.515 -5.635 652 HG3 MET 82 1HG MET 82 3.689 23.447 -5.431 653 HE1 MET 82 3HE MET 82 3.336 20.320 -4.712 654 HE2 MET 82 1HE MET 82 2.466 21.596 -3.861 655 HE3 MET 82 2HE MET 82 3.358 20.378 -2.950 656 H MET 83 H MET 83 4.236 25.130 -8.196 657 HA MET 83 HA MET 83 6.795 25.619 -9.358 658 HB2 MET 83 2HB MET 83 4.922 27.531 -7.930 659 HB3 MET 83 1HB MET 83 6.299 28.002 -8.918 660 HG2 MET 83 2HG MET 83 3.872 26.510 -9.902 661 HG3 MET 83 1HG MET 83 4.179 28.232 -10.115 662 HE1 MET 83 3HE MET 83 4.624 26.714 -13.728 663 HE2 MET 83 1HE MET 83 3.728 27.864 -12.736 664 HE3 MET 83 2HE MET 83 3.511 26.133 -12.488 Start of MODEL 14 1 H1 MET 1 1H MET 1 4.317 1.183 13.428 2 H2 MET 1 2H MET 1 4.489 0.738 11.806 3 H3 MET 1 3H MET 1 4.720 2.351 12.272 4 HA MET 1 HA MET 1 6.639 1.726 13.590 5 HB2 MET 1 2HB MET 1 5.928 -0.575 14.095 6 HB3 MET 1 1HB MET 1 6.130 -1.021 12.407 7 HG2 MET 1 2HG MET 1 7.984 -1.800 13.792 8 HG3 MET 1 1HG MET 1 8.524 -0.651 12.568 9 HE1 MET 1 3HE MET 1 10.117 -1.595 15.256 10 HE2 MET 1 1HE MET 1 10.853 -0.062 15.719 11 HE3 MET 1 2HE MET 1 10.815 -0.545 14.024 12 H GLY 2 H GLY 2 7.809 3.103 12.336 13 HA2 GLY 2 2HA GLY 2 8.497 2.234 9.583 14 HA3 GLY 2 1HA GLY 2 8.369 3.913 10.084 15 H HIS 3 H HIS 3 10.300 0.977 10.374 16 HA HIS 3 HA HIS 3 12.497 2.545 11.572 17 HB2 HIS 3 2HB HIS 3 11.711 0.648 12.912 18 HB3 HIS 3 1HB HIS 3 12.015 -0.446 11.568 19 HD1 HIS 3 HD1 HIS 3 13.928 1.845 13.919 20 HD2 HIS 3 HD2 HIS 3 14.520 -1.512 11.543 21 HE1 HIS 3 HE1 HIS 3 16.249 1.052 14.442 22 HE2 HIS 3 HE2 HIS 3 16.492 -1.099 13.165 23 H HIS 4 H HIS 4 13.634 3.354 9.848 24 HA HIS 4 HA HIS 4 15.131 1.404 8.264 25 HB2 HIS 4 2HB HIS 4 13.405 3.560 7.031 26 HB3 HIS 4 1HB HIS 4 14.740 2.808 6.164 27 HD1 HIS 4 HD1 HIS 4 11.198 2.431 6.802 28 HD2 HIS 4 HD2 HIS 4 14.355 -0.109 5.886 29 HE1 HIS 4 HE1 HIS 4 10.135 0.313 5.977 30 HE2 HIS 4 HE2 HIS 4 12.061 -1.227 5.467 31 H HIS 5 H HIS 5 17.222 1.923 8.409 32 HA HIS 5 HA HIS 5 18.014 4.705 8.948 33 HB2 HIS 5 2HB HIS 5 19.526 2.094 9.178 34 HB3 HIS 5 1HB HIS 5 20.282 3.669 9.390 35 HD1 HIS 5 HD1 HIS 5 19.156 1.065 11.379 36 HD2 HIS 5 HD2 HIS 5 18.517 5.171 11.475 37 HE1 HIS 5 HE1 HIS 5 18.462 1.587 13.734 38 HE2 HIS 5 HE2 HIS 5 18.269 4.092 13.811 39 H HIS 6 H HIS 6 18.917 5.953 7.436 40 HA HIS 6 HA HIS 6 19.709 6.688 5.438 41 HB2 HIS 6 2HB HIS 6 21.766 5.666 6.344 42 HB3 HIS 6 1HB HIS 6 21.343 4.138 5.578 43 HD1 HIS 6 HD1 HIS 6 22.136 7.721 4.574 44 HD2 HIS 6 HD2 HIS 6 22.349 3.856 3.063 45 HE1 HIS 6 HE1 HIS 6 23.314 7.929 2.372 46 HE2 HIS 6 HE2 HIS 6 23.565 5.566 1.543 47 H HIS 7 H HIS 7 17.892 6.626 4.127 48 HA HIS 7 HA HIS 7 17.377 4.115 2.652 49 HB2 HIS 7 2HB HIS 7 15.048 4.838 2.445 50 HB3 HIS 7 1HB HIS 7 15.541 4.781 4.132 51 HD1 HIS 7 HD1 HIS 7 16.117 7.198 5.219 52 HD2 HIS 7 HD2 HIS 7 13.985 7.229 1.653 53 HE1 HIS 7 HE1 HIS 7 15.072 9.471 5.079 54 HE2 HIS 7 HE2 HIS 7 13.657 9.405 3.005 55 H HIS 8 H HIS 8 16.840 4.172 0.461 56 HA HIS 8 HA HIS 8 17.751 6.562 -1.006 57 HB2 HIS 8 2HB HIS 8 17.397 3.694 -1.926 58 HB3 HIS 8 1HB HIS 8 17.954 5.019 -2.944 59 HD1 HIS 8 HD1 HIS 8 19.038 3.021 0.086 60 HD2 HIS 8 HD2 HIS 8 20.646 5.533 -2.804 61 HE1 HIS 8 HE1 HIS 8 21.517 2.911 0.410 62 HE2 HIS 8 HE2 HIS 8 22.472 4.322 -1.432 63 H SER 9 H SER 9 16.535 6.567 -3.355 64 HA SER 9 HA SER 9 13.642 6.615 -2.708 65 HB2 SER 9 2HB SER 9 15.214 8.754 -4.171 66 HB3 SER 9 1HB SER 9 13.467 8.764 -3.924 67 HG SER 9 HG SER 9 14.869 9.977 -2.380 68 H HIS 10 H HIS 10 15.420 4.792 -4.539 69 HA HIS 10 HA HIS 10 14.126 5.324 -7.116 70 HB2 HIS 10 2HB HIS 10 16.517 4.733 -7.124 71 HB3 HIS 10 1HB HIS 10 16.137 3.173 -6.400 72 HD1 HIS 10 HD1 HIS 10 15.784 5.086 -9.627 73 HD2 HIS 10 HD2 HIS 10 15.241 1.230 -8.180 74 HE1 HIS 10 HE1 HIS 10 15.378 3.659 -11.652 75 HE2 HIS 10 HE2 HIS 10 14.912 1.361 -10.741 76 H MET 11 H MET 11 13.966 2.951 -4.505 77 HA MET 11 HA MET 11 12.171 1.240 -6.039 78 HB2 MET 11 2HB MET 11 12.172 -0.216 -4.054 79 HB3 MET 11 1HB MET 11 13.797 0.159 -4.608 80 HG2 MET 11 2HG MET 11 14.039 1.807 -2.827 81 HG3 MET 11 1HG MET 11 12.396 1.470 -2.283 82 HE1 MET 11 3HE MET 11 15.989 -0.075 -2.821 83 HE2 MET 11 1HE MET 11 14.920 -1.211 -3.646 84 HE3 MET 11 2HE MET 11 15.759 -1.699 -2.174 85 H LEU 12 H LEU 12 11.661 4.062 -4.462 86 HA LEU 12 HA LEU 12 9.258 3.414 -3.022 87 HB2 LEU 12 2HB LEU 12 10.603 6.006 -3.730 88 HB3 LEU 12 1HB LEU 12 9.003 5.989 -3.013 89 HG LEU 12 HG LEU 12 10.707 6.362 -1.311 90 HD11 LEU 12 1HD1 LEU 12 10.067 4.623 0.263 91 HD12 LEU 12 2HD1 LEU 12 9.472 3.620 -1.060 92 HD13 LEU 12 3HD1 LEU 12 8.677 5.150 -0.685 93 HD21 LEU 12 3HD2 LEU 12 11.812 3.668 -2.112 94 HD22 LEU 12 1HD2 LEU 12 12.336 4.633 -0.732 95 HD23 LEU 12 2HD2 LEU 12 12.589 5.230 -2.371 96 HA PRO 13 HA PRO 13 7.219 5.446 -7.094 97 HB2 PRO 13 2HB PRO 13 9.285 4.295 -8.929 98 HB3 PRO 13 1HB PRO 13 8.316 5.764 -9.107 99 HG2 PRO 13 2HG PRO 13 10.871 5.935 -8.406 100 HG3 PRO 13 1HG PRO 13 9.660 6.983 -7.640 101 HD2 PRO 13 2HD PRO 13 11.006 4.536 -6.560 102 HD3 PRO 13 1HD PRO 13 10.559 6.039 -5.727 103 HA PRO 14 HA PRO 14 5.622 1.245 -7.129 104 HB2 PRO 14 2HB PRO 14 3.383 2.337 -8.707 105 HB3 PRO 14 1HB PRO 14 3.375 1.618 -7.094 106 HG2 PRO 14 2HG PRO 14 2.985 4.255 -7.464 107 HG3 PRO 14 1HG PRO 14 3.850 3.626 -6.048 108 HD2 PRO 14 2HD PRO 14 4.970 4.816 -8.572 109 HD3 PRO 14 1HD PRO 14 5.442 5.113 -6.884 110 H GLU 15 H GLU 15 7.569 1.113 -8.851 111 HA GLU 15 HA GLU 15 6.393 0.390 -11.457 112 HB2 GLU 15 2HB GLU 15 8.755 0.510 -12.317 113 HB3 GLU 15 1HB GLU 15 8.072 2.041 -11.790 114 HG2 GLU 15 2HG GLU 15 9.340 1.967 -9.743 115 HG3 GLU 15 1HG GLU 15 9.917 0.344 -10.116 116 H GLN 16 H GLN 16 8.974 -0.737 -9.232 117 HA GLN 16 HA GLN 16 8.769 -3.423 -10.396 118 HB2 GLN 16 2HB GLN 16 10.983 -2.231 -10.083 119 HB3 GLN 16 1HB GLN 16 10.771 -2.438 -8.350 120 HG2 GLN 16 2HG GLN 16 10.658 -4.903 -8.726 121 HG3 GLN 16 1HG GLN 16 11.042 -4.616 -10.421 122 HE21 GLN 16 1HE2 GLN 16 12.404 -2.815 -7.744 123 HE22 GLN 16 2HE2 GLN 16 14.016 -3.405 -7.935 124 H TRP 17 H TRP 17 6.865 -2.118 -8.365 125 HA TRP 17 HA TRP 17 7.100 -3.669 -5.973 126 HB2 TRP 17 2HB TRP 17 4.849 -2.006 -7.120 127 HB3 TRP 17 1HB TRP 17 4.729 -2.841 -5.574 128 HD1 TRP 17 HD TRP 17 7.667 -0.692 -6.959 129 HE1 TRP 17 HE1 TRP 17 8.184 1.145 -5.235 130 HE3 TRP 17 HE3 TRP 17 3.971 -1.697 -3.568 131 HZ2 TRP 17 HZ2 TRP 17 7.165 2.046 -2.766 132 HZ3 TRP 17 HZ3 TRP 17 3.813 -0.298 -1.549 133 HH2 TRP 17 HH TRP 17 5.379 1.536 -1.158 134 H SER 18 H SER 18 6.830 -5.789 -5.923 135 HA SER 18 HA SER 18 5.177 -7.160 -7.896 136 HB2 SER 18 2HB SER 18 6.183 -9.208 -7.005 137 HB3 SER 18 1HB SER 18 7.438 -8.020 -7.354 138 HG SER 18 HG SER 18 7.745 -9.003 -5.313 139 H HIS 19 H HIS 19 4.013 -9.215 -6.926 140 HA HIS 19 HA HIS 19 1.772 -8.425 -5.495 141 HB2 HIS 19 2HB HIS 19 3.001 -11.182 -5.738 142 HB3 HIS 19 1HB HIS 19 1.409 -10.884 -5.052 143 HD1 HIS 19 HD1 HIS 19 2.752 -12.074 -8.020 144 HD2 HIS 19 HD2 HIS 19 -0.118 -9.193 -7.189 145 HE1 HIS 19 HE1 HIS 19 1.383 -11.869 -10.104 146 HE2 HIS 19 HE2 HIS 19 -0.505 -10.346 -9.469 147 H THR 20 H THR 20 4.722 -9.977 -4.253 148 HA THR 20 HA THR 20 3.919 -10.200 -1.557 149 HB THR 20 HB THR 20 6.731 -9.878 -2.642 150 HG1 THR 20 HG1 THR 20 5.301 -11.751 -3.326 151 HG21 THR 20 3HG2 THR 20 6.652 -9.452 -0.241 152 HG22 THR 20 1HG2 THR 20 7.426 -11.003 -0.562 153 HG23 THR 20 2HG2 THR 20 5.760 -10.953 0.015 154 H THR 21 H THR 21 5.720 -7.617 -3.233 155 HA THR 21 HA THR 21 6.210 -5.999 -0.983 156 HB THR 21 HB THR 21 5.833 -5.087 -3.853 157 HG1 THR 21 HG1 THR 21 8.401 -5.233 -2.969 158 HG21 THR 21 3HG2 THR 21 7.272 -3.766 -1.535 159 HG22 THR 21 1HG2 THR 21 5.750 -3.229 -2.249 160 HG23 THR 21 2HG2 THR 21 7.236 -3.174 -3.196 161 H VAL 22 H VAL 22 3.524 -5.895 -3.334 162 HA VAL 22 HA VAL 22 2.152 -3.737 -2.081 163 HB VAL 22 HB VAL 22 1.061 -5.875 -3.931 164 HG11 VAL 22 1HG1 VAL 22 -0.690 -4.202 -4.463 165 HG12 VAL 22 2HG1 VAL 22 -0.074 -3.180 -3.164 166 HG13 VAL 22 3HG1 VAL 22 -0.762 -4.761 -2.793 167 HG21 VAL 22 3HG2 VAL 22 1.419 -4.219 -5.708 168 HG22 VAL 22 1HG2 VAL 22 2.932 -4.659 -4.920 169 HG23 VAL 22 2HG2 VAL 22 2.154 -3.122 -4.540 170 H ARG 23 H ARG 23 2.382 -7.087 -1.307 171 HA ARG 23 HA ARG 23 0.035 -7.254 0.342 172 HB2 ARG 23 2HB ARG 23 1.107 -9.287 -0.510 173 HB3 ARG 23 1HB ARG 23 2.593 -8.882 0.337 174 HG2 ARG 23 2HG ARG 23 1.240 -9.024 2.485 175 HG3 ARG 23 1HG ARG 23 -0.036 -9.758 1.512 176 HD2 ARG 23 2HD ARG 23 1.296 -11.489 2.547 177 HD3 ARG 23 1HD ARG 23 1.559 -11.510 0.802 178 HE ARG 23 HE ARG 23 3.538 -9.906 1.902 179 HH11 ARG 23 1HH1 ARG 23 2.562 -13.204 2.095 180 HH12 ARG 23 2HH1 ARG 23 4.167 -13.773 2.398 181 HH21 ARG 23 1HH2 ARG 23 5.584 -10.641 2.299 182 HH22 ARG 23 2HH2 ARG 23 5.866 -12.331 2.530 183 H ASN 24 H ASN 24 3.513 -6.978 1.092 184 HA ASN 24 HA ASN 24 3.245 -6.563 3.857 185 HB2 ASN 24 2HB ASN 24 5.468 -5.740 1.973 186 HB3 ASN 24 1HB ASN 24 5.589 -5.704 3.729 187 HD21 ASN 24 1HD2 ASN 24 7.299 -7.159 3.686 188 HD22 ASN 24 2HD2 ASN 24 7.061 -8.838 3.366 189 H ALA 25 H ALA 25 3.040 -4.330 1.178 190 HA ALA 25 HA ALA 25 3.510 -1.900 2.480 191 HB1 ALA 25 3HB ALA 25 1.673 -2.451 0.152 192 HB2 ALA 25 1HB ALA 25 3.401 -2.109 0.058 193 HB3 ALA 25 2HB ALA 25 2.286 -0.867 0.629 194 H LEU 26 H LEU 26 0.677 -3.952 2.566 195 HA LEU 26 HA LEU 26 -1.067 -1.849 3.531 196 HB2 LEU 26 2HB LEU 26 -1.507 -4.821 3.226 197 HB3 LEU 26 1HB LEU 26 -2.743 -3.688 3.743 198 HG LEU 26 HG LEU 26 -1.370 -3.715 1.045 199 HD11 LEU 26 1HD1 LEU 26 -3.573 -4.320 0.184 200 HD12 LEU 26 2HD1 LEU 26 -4.218 -4.347 1.824 201 HD13 LEU 26 3HD1 LEU 26 -2.995 -5.520 1.341 202 HD21 LEU 26 3HD2 LEU 26 -1.872 -1.430 1.768 203 HD22 LEU 26 1HD2 LEU 26 -3.544 -1.893 2.091 204 HD23 LEU 26 2HD2 LEU 26 -2.921 -1.924 0.440 205 H LYS 27 H LYS 27 1.366 -3.308 5.071 206 HA LYS 27 HA LYS 27 0.047 -4.015 7.542 207 HB2 LYS 27 2HB LYS 27 2.916 -3.854 6.674 208 HB3 LYS 27 1HB LYS 27 2.520 -4.002 8.380 209 HG2 LYS 27 2HG LYS 27 1.601 -5.944 6.257 210 HG3 LYS 27 1HG LYS 27 3.039 -6.161 7.261 211 HD2 LYS 27 2HD LYS 27 1.523 -5.960 9.276 212 HD3 LYS 27 1HD LYS 27 0.156 -6.043 8.164 213 HE2 LYS 27 2HE LYS 27 2.305 -8.154 8.404 214 HE3 LYS 27 1HE LYS 27 0.744 -8.226 9.216 215 HZ1 LYS 27 3HZ LYS 27 1.059 -8.056 6.270 216 HZ2 LYS 27 1HZ LYS 27 -0.363 -8.352 7.132 217 HZ3 LYS 27 2HZ LYS 27 0.870 -9.507 7.116 218 H ASP 28 H ASP 28 2.780 -1.717 7.283 219 HA ASP 28 HA ASP 28 1.756 -0.356 9.605 220 HB2 ASP 28 2HB ASP 28 4.252 -0.022 7.959 221 HB3 ASP 28 1HB ASP 28 3.858 1.058 9.297 222 H LEU 29 H LEU 29 1.519 0.256 6.209 223 HA LEU 29 HA LEU 29 1.259 3.077 6.312 224 HB2 LEU 29 2HB LEU 29 0.346 1.004 4.330 225 HB3 LEU 29 1HB LEU 29 -0.070 2.693 4.123 226 HG LEU 29 HG LEU 29 1.878 2.091 2.774 227 HD11 LEU 29 1HD1 LEU 29 1.704 4.377 3.607 228 HD12 LEU 29 2HD1 LEU 29 3.388 3.869 3.493 229 HD13 LEU 29 3HD1 LEU 29 2.589 3.922 5.065 230 HD21 LEU 29 3HD2 LEU 29 3.237 1.454 5.394 231 HD22 LEU 29 1HD2 LEU 29 4.011 1.498 3.809 232 HD23 LEU 29 2HD2 LEU 29 2.776 0.289 4.154 233 H LEU 30 H LEU 30 -1.136 0.474 6.569 234 HA LEU 30 HA LEU 30 -3.217 2.450 7.260 235 HB2 LEU 30 2HB LEU 30 -3.611 0.817 5.384 236 HB3 LEU 30 1HB LEU 30 -3.543 -0.479 6.561 237 HG LEU 30 HG LEU 30 -5.541 0.428 7.684 238 HD11 LEU 30 1HD1 LEU 30 -5.259 2.789 7.174 239 HD12 LEU 30 2HD1 LEU 30 -6.836 2.223 6.625 240 HD13 LEU 30 3HD1 LEU 30 -5.535 2.471 5.459 241 HD21 LEU 30 3HD2 LEU 30 -5.778 -1.247 5.908 242 HD22 LEU 30 1HD2 LEU 30 -5.923 0.043 4.712 243 HD23 LEU 30 2HD2 LEU 30 -7.157 -0.151 5.959 244 H LYS 31 H LYS 31 -1.049 1.502 9.042 245 HA LYS 31 HA LYS 31 -1.870 -0.566 10.765 246 HB2 LYS 31 2HB LYS 31 0.458 0.567 10.385 247 HB3 LYS 31 1HB LYS 31 -0.050 1.642 11.676 248 HG2 LYS 31 2HG LYS 31 1.297 -0.114 12.598 249 HG3 LYS 31 1HG LYS 31 -0.368 -0.338 13.139 250 HD2 LYS 31 2HD LYS 31 -0.724 -2.103 11.558 251 HD3 LYS 31 1HD LYS 31 0.809 -1.771 10.754 252 HE2 LYS 31 2HE LYS 31 0.492 -2.784 13.582 253 HE3 LYS 31 1HE LYS 31 0.929 -3.764 12.183 254 HZ1 LYS 31 3HZ LYS 31 2.894 -3.170 13.405 255 HZ2 LYS 31 1HZ LYS 31 2.511 -1.528 13.328 256 HZ3 LYS 31 2HZ LYS 31 2.921 -2.368 11.919 257 H ASP 32 H ASP 32 -2.105 2.982 11.191 258 HA ASP 32 HA ASP 32 -3.623 2.531 13.674 259 HB2 ASP 32 2HB ASP 32 -2.167 4.971 12.648 260 HB3 ASP 32 1HB ASP 32 -3.157 4.963 14.106 261 H MET 33 H MET 33 -3.991 3.869 10.470 262 HA MET 33 HA MET 33 -6.328 5.428 11.145 263 HB2 MET 33 2HB MET 33 -4.761 6.144 9.374 264 HB3 MET 33 1HB MET 33 -5.192 4.729 8.425 265 HG2 MET 33 2HG MET 33 -6.329 6.738 7.632 266 HG3 MET 33 1HG MET 33 -7.476 5.534 8.219 267 HE1 MET 33 3HE MET 33 -6.299 9.331 10.588 268 HE2 MET 33 1HE MET 33 -5.743 9.010 8.945 269 HE3 MET 33 2HE MET 33 -5.184 7.999 10.279 270 H ASN 34 H ASN 34 -8.433 4.855 10.960 271 HA ASN 34 HA ASN 34 -9.255 2.206 10.859 272 HB2 ASN 34 2HB ASN 34 -10.622 3.989 11.822 273 HB3 ASN 34 1HB ASN 34 -10.868 4.691 10.228 274 HD21 ASN 34 1HD2 ASN 34 -11.678 2.071 12.356 275 HD22 ASN 34 2HD2 ASN 34 -13.031 1.497 11.448 276 H GLN 35 H GLN 35 -9.685 0.788 9.303 277 HA GLN 35 HA GLN 35 -8.735 1.094 6.712 278 HB2 GLN 35 2HB GLN 35 -10.804 -0.914 7.628 279 HB3 GLN 35 1HB GLN 35 -9.740 -1.066 6.235 280 HG2 GLN 35 2HG GLN 35 -7.796 -1.098 7.756 281 HG3 GLN 35 1HG GLN 35 -8.895 -1.012 9.131 282 HE21 GLN 35 1HE2 GLN 35 -9.510 -2.878 6.227 283 HE22 GLN 35 2HE2 GLN 35 -9.394 -4.421 6.982 284 H SER 36 H SER 36 -12.049 1.541 7.890 285 HA SER 36 HA SER 36 -13.360 1.497 5.395 286 HB2 SER 36 2HB SER 36 -14.568 1.333 7.542 287 HB3 SER 36 1HB SER 36 -14.175 3.017 7.889 288 HG SER 36 HG SER 36 -15.536 3.682 6.323 289 H SER 37 H SER 37 -11.635 4.081 7.040 290 HA SER 37 HA SER 37 -12.574 6.257 5.485 291 HB2 SER 37 2HB SER 37 -11.382 6.622 7.594 292 HB3 SER 37 1HB SER 37 -9.915 5.921 6.913 293 HG SER 37 HG SER 37 -11.019 8.434 6.560 294 H LEU 38 H LEU 38 -9.714 4.171 5.122 295 HA LEU 38 HA LEU 38 -8.713 5.369 2.767 296 HB2 LEU 38 2HB LEU 38 -7.391 3.873 4.203 297 HB3 LEU 38 1HB LEU 38 -8.411 2.522 3.747 298 HG LEU 38 HG LEU 38 -7.633 2.741 1.403 299 HD11 LEU 38 1HD1 LEU 38 -5.767 4.839 2.512 300 HD12 LEU 38 2HD1 LEU 38 -7.108 5.120 1.399 301 HD13 LEU 38 3HD1 LEU 38 -5.720 4.164 0.882 302 HD21 LEU 38 3HD2 LEU 38 -5.344 1.904 1.786 303 HD22 LEU 38 1HD2 LEU 38 -6.525 1.166 2.868 304 HD23 LEU 38 2HD2 LEU 38 -5.450 2.429 3.467 305 H ALA 39 H ALA 39 -11.116 2.857 3.306 306 HA ALA 39 HA ALA 39 -11.345 1.883 0.676 307 HB1 ALA 39 3HB ALA 39 -13.502 0.978 1.389 308 HB2 ALA 39 1HB ALA 39 -13.456 1.991 2.832 309 HB3 ALA 39 2HB ALA 39 -12.260 0.714 2.612 310 H LYS 40 H LYS 40 -12.279 4.932 1.927 311 HA LYS 40 HA LYS 40 -14.349 5.510 0.006 312 HB2 LYS 40 2HB LYS 40 -12.612 7.442 1.568 313 HB3 LYS 40 1HB LYS 40 -14.092 7.845 0.711 314 HG2 LYS 40 2HG LYS 40 -15.357 6.398 2.260 315 HG3 LYS 40 1HG LYS 40 -13.861 6.067 3.139 316 HD2 LYS 40 2HD LYS 40 -15.171 8.772 2.781 317 HD3 LYS 40 1HD LYS 40 -15.131 7.816 4.265 318 HE2 LYS 40 2HE LYS 40 -12.720 8.046 4.392 319 HE3 LYS 40 1HE LYS 40 -12.686 8.884 2.841 320 HZ1 LYS 40 3HZ LYS 40 -13.973 10.674 3.827 321 HZ2 LYS 40 1HZ LYS 40 -12.532 10.433 4.672 322 HZ3 LYS 40 2HZ LYS 40 -13.989 9.876 5.315 323 H GLU 41 H GLU 41 -10.864 6.070 0.235 324 HA GLU 41 HA GLU 41 -10.785 7.565 -2.248 325 HB2 GLU 41 2HB GLU 41 -8.506 6.597 -0.499 326 HB3 GLU 41 1HB GLU 41 -8.377 7.750 -1.823 327 HG2 GLU 41 2HG GLU 41 -9.794 8.125 0.809 328 HG3 GLU 41 1HG GLU 41 -8.356 8.967 0.229 329 H CYS 42 H CYS 42 -9.174 4.575 -1.113 330 HA CYS 42 HA CYS 42 -8.534 3.804 -3.826 331 HB2 CYS 42 2HB CYS 42 -7.480 1.847 -2.830 332 HB3 CYS 42 1HB CYS 42 -7.000 3.294 -1.949 333 HG CYS 42 HG CYS 42 -9.643 2.151 -0.451 334 HA PRO 43 HA PRO 43 -12.370 1.560 -4.420 335 HB2 PRO 43 2HB PRO 43 -11.821 0.425 -6.802 336 HB3 PRO 43 1HB PRO 43 -12.090 2.167 -6.644 337 HG2 PRO 43 2HG PRO 43 -9.493 0.659 -6.798 338 HG3 PRO 43 1HG PRO 43 -9.977 2.134 -7.658 339 HD2 PRO 43 2HD PRO 43 -8.429 2.171 -5.417 340 HD3 PRO 43 1HD PRO 43 -9.542 3.487 -5.839 341 H LEU 44 H LEU 44 -10.312 0.297 -2.719 342 HA LEU 44 HA LEU 44 -10.281 -2.492 -3.634 343 HB2 LEU 44 2HB LEU 44 -8.776 -1.207 -1.348 344 HB3 LEU 44 1HB LEU 44 -8.557 -2.844 -1.944 345 HG LEU 44 HG LEU 44 -7.897 -0.292 -3.434 346 HD11 LEU 44 1HD1 LEU 44 -5.579 -1.066 -3.246 347 HD12 LEU 44 2HD1 LEU 44 -6.115 -2.438 -2.274 348 HD13 LEU 44 3HD1 LEU 44 -6.310 -0.794 -1.664 349 HD21 LEU 44 3HD2 LEU 44 -7.571 -3.167 -4.307 350 HD22 LEU 44 1HD2 LEU 44 -6.963 -1.754 -5.171 351 HD23 LEU 44 2HD2 LEU 44 -8.699 -1.993 -4.985 352 H SER 45 H SER 45 -11.725 -3.875 -2.825 353 HA SER 45 HA SER 45 -13.627 -3.252 -0.857 354 HB2 SER 45 2HB SER 45 -12.741 -6.010 -1.757 355 HB3 SER 45 1HB SER 45 -14.273 -5.609 -0.978 356 HG SER 45 HG SER 45 -14.571 -5.733 -3.209 357 H GLN 46 H GLN 46 -13.355 -3.014 1.286 358 HA GLN 46 HA GLN 46 -10.982 -3.570 2.650 359 HB2 GLN 46 2HB GLN 46 -12.681 -1.915 3.377 360 HB3 GLN 46 1HB GLN 46 -13.738 -3.231 3.860 361 HG2 GLN 46 2HG GLN 46 -11.070 -3.369 5.063 362 HG3 GLN 46 1HG GLN 46 -11.965 -1.914 5.487 363 HE21 GLN 46 1HE2 GLN 46 -11.889 -5.395 5.711 364 HE22 GLN 46 2HE2 GLN 46 -13.068 -5.526 6.962 365 H SER 47 H SER 47 -13.807 -5.590 2.182 366 HA SER 47 HA SER 47 -13.380 -7.609 4.039 367 HB2 SER 47 2HB SER 47 -14.281 -8.001 1.167 368 HB3 SER 47 1HB SER 47 -14.581 -9.095 2.519 369 HG SER 47 HG SER 47 -16.399 -7.897 2.356 370 H MET 48 H MET 48 -11.815 -7.120 0.903 371 HA MET 48 HA MET 48 -10.174 -9.489 1.146 372 HB2 MET 48 2HB MET 48 -10.022 -7.156 -0.778 373 HB3 MET 48 1HB MET 48 -9.037 -8.608 -0.885 374 HG2 MET 48 2HG MET 48 -11.057 -9.953 -1.216 375 HG3 MET 48 1HG MET 48 -12.042 -8.494 -1.107 376 HE1 MET 48 3HE MET 48 -13.182 -9.085 -3.459 377 HE2 MET 48 1HE MET 48 -12.205 -10.550 -3.530 378 HE3 MET 48 2HE MET 48 -12.256 -9.456 -4.914 379 H ILE 49 H ILE 49 -9.741 -5.984 1.553 380 HA ILE 49 HA ILE 49 -7.005 -5.856 1.988 381 HB ILE 49 HB ILE 49 -9.160 -4.252 3.387 382 HG12 ILE 49 2HG1 ILE 49 -7.549 -3.666 0.883 383 HG13 ILE 49 1HG1 ILE 49 -9.260 -4.074 0.935 384 HG21 ILE 49 1HG2 ILE 49 -7.046 -4.090 4.595 385 HG22 ILE 49 2HG2 ILE 49 -7.417 -2.567 3.788 386 HG23 ILE 49 3HG2 ILE 49 -6.211 -3.656 3.102 387 HD11 ILE 49 3HD1 ILE 49 -8.003 -1.608 2.116 388 HD12 ILE 49 1HD1 ILE 49 -9.719 -2.014 2.147 389 HD13 ILE 49 2HD1 ILE 49 -8.917 -1.693 0.610 390 H SER 50 H SER 50 -9.555 -6.618 4.362 391 HA SER 50 HA SER 50 -7.945 -6.802 6.645 392 HB2 SER 50 2HB SER 50 -10.387 -6.804 6.778 393 HB3 SER 50 1HB SER 50 -10.450 -8.379 5.987 394 HG SER 50 HG SER 50 -9.254 -7.791 8.503 395 H SER 51 H SER 51 -8.797 -9.319 4.281 396 HA SER 51 HA SER 51 -7.474 -11.475 5.528 397 HB2 SER 51 2HB SER 51 -9.122 -11.804 3.739 398 HB3 SER 51 1HB SER 51 -8.043 -11.026 2.582 399 HG SER 51 HG SER 51 -8.084 -13.448 2.737 400 H ILE 52 H ILE 52 -6.303 -8.955 3.365 401 HA ILE 52 HA ILE 52 -3.731 -10.179 2.906 402 HB ILE 52 HB ILE 52 -4.502 -7.281 2.462 403 HG12 ILE 52 2HG1 ILE 52 -4.651 -9.598 0.507 404 HG13 ILE 52 1HG1 ILE 52 -6.038 -8.843 1.285 405 HG21 ILE 52 1HG2 ILE 52 -2.672 -7.327 0.806 406 HG22 ILE 52 2HG2 ILE 52 -2.293 -8.980 1.289 407 HG23 ILE 52 3HG2 ILE 52 -2.101 -7.659 2.441 408 HD11 ILE 52 3HD1 ILE 52 -4.135 -7.525 -0.639 409 HD12 ILE 52 1HD1 ILE 52 -5.478 -6.726 0.180 410 HD13 ILE 52 2HD1 ILE 52 -5.795 -8.027 -0.966 411 H VAL 53 H VAL 53 -4.871 -7.421 4.877 412 HA VAL 53 HA VAL 53 -2.372 -6.711 5.961 413 HB VAL 53 HB VAL 53 -5.119 -6.334 7.187 414 HG11 VAL 53 1HG1 VAL 53 -2.499 -4.959 7.815 415 HG12 VAL 53 2HG1 VAL 53 -3.378 -6.071 8.866 416 HG13 VAL 53 3HG1 VAL 53 -4.074 -4.501 8.464 417 HG21 VAL 53 3HG2 VAL 53 -3.472 -4.468 5.472 418 HG22 VAL 53 1HG2 VAL 53 -5.024 -4.088 6.217 419 HG23 VAL 53 2HG2 VAL 53 -4.926 -5.324 4.963 420 H ASN 54 H ASN 54 -5.000 -8.645 7.461 421 HA ASN 54 HA ASN 54 -3.387 -9.481 9.665 422 HB2 ASN 54 2HB ASN 54 -5.906 -9.375 9.651 423 HB3 ASN 54 1HB ASN 54 -5.904 -10.808 8.625 424 HD21 ASN 54 1HD2 ASN 54 -6.971 -12.055 10.156 425 HD22 ASN 54 2HD2 ASN 54 -6.205 -12.597 11.606 426 H SER 55 H SER 55 -3.795 -10.605 6.428 427 HA SER 55 HA SER 55 -2.826 -12.243 5.199 428 HB2 SER 55 2HB SER 55 -0.907 -12.466 7.539 429 HB3 SER 55 1HB SER 55 -0.652 -13.158 5.938 430 HG SER 55 HG SER 55 -1.218 -10.597 5.594 431 H THR 56 H THR 56 -4.851 -13.416 5.556 432 HA THR 56 HA THR 56 -4.600 -15.721 7.379 433 HB THR 56 HB THR 56 -7.049 -16.018 7.090 434 HG1 THR 56 HG1 THR 56 -8.080 -13.997 6.145 435 HG21 THR 56 3HG2 THR 56 -7.738 -14.062 8.404 436 HG22 THR 56 1HG2 THR 56 -6.236 -13.242 7.978 437 HG23 THR 56 2HG2 THR 56 -6.195 -14.696 8.975 438 H TYR 57 H TYR 57 -6.481 -15.399 4.347 439 HA TYR 57 HA TYR 57 -4.926 -17.572 3.150 440 HB2 TYR 57 2HB TYR 57 -6.842 -19.001 2.758 441 HB3 TYR 57 1HB TYR 57 -6.700 -18.679 4.480 442 HD1 TYR 57 HD2 TYR 57 -8.196 -16.680 5.375 443 HD2 TYR 57 HD1 TYR 57 -8.924 -18.780 1.739 444 HE1 TYR 57 HE2 TYR 57 -10.549 -15.960 5.431 445 HE2 TYR 57 HE1 TYR 57 -11.271 -18.064 1.788 446 HH TYR 57 HH TYR 57 -12.932 -17.364 3.552 447 H TYR 58 H TYR 58 -5.350 -14.743 2.504 448 HA TYR 58 HA TYR 58 -7.062 -14.273 0.370 449 HB2 TYR 58 2HB TYR 58 -5.757 -12.520 1.496 450 HB3 TYR 58 1HB TYR 58 -4.275 -13.165 0.803 451 HD1 TYR 58 HD2 TYR 58 -7.644 -12.244 -0.589 452 HD2 TYR 58 HD1 TYR 58 -3.416 -11.772 -0.824 453 HE1 TYR 58 HE2 TYR 58 -7.920 -10.752 -2.528 454 HE2 TYR 58 HE1 TYR 58 -3.684 -10.283 -2.758 455 HH TYR 58 HH TYR 58 -6.792 -9.099 -3.765 456 H ALA 59 H ALA 59 -3.652 -15.305 0.170 457 HA ALA 59 HA ALA 59 -2.519 -16.631 -1.273 458 HB1 ALA 59 3HB ALA 59 -3.717 -18.357 -2.505 459 HB2 ALA 59 1HB ALA 59 -5.250 -17.551 -2.176 460 HB3 ALA 59 2HB ALA 59 -4.309 -18.238 -0.849 461 H ASN 60 H ASN 60 -5.316 -15.981 -3.399 462 HA ASN 60 HA ASN 60 -3.581 -15.423 -5.615 463 HB2 ASN 60 2HB ASN 60 -5.757 -16.552 -5.909 464 HB3 ASN 60 1HB ASN 60 -6.586 -15.092 -5.380 465 HD21 ASN 60 1HD2 ASN 60 -7.685 -14.886 -7.326 466 HD22 ASN 60 2HD2 ASN 60 -6.901 -14.402 -8.787 467 H VAL 61 H VAL 61 -2.388 -13.581 -5.330 468 HA VAL 61 HA VAL 61 -3.659 -11.109 -4.492 469 HB VAL 61 HB VAL 61 -0.812 -11.506 -5.450 470 HG11 VAL 61 1HG1 VAL 61 -0.373 -9.404 -4.241 471 HG12 VAL 61 2HG1 VAL 61 -2.090 -9.268 -3.862 472 HG13 VAL 61 3HG1 VAL 61 -1.548 -9.181 -5.538 473 HG21 VAL 61 3HG2 VAL 61 -0.189 -11.598 -3.078 474 HG22 VAL 61 1HG2 VAL 61 -1.268 -12.928 -3.507 475 HG23 VAL 61 2HG2 VAL 61 -1.892 -11.535 -2.624 476 H SER 62 H SER 62 -5.073 -10.485 -6.051 477 HA SER 62 HA SER 62 -4.864 -10.655 -8.798 478 HB2 SER 62 2HB SER 62 -6.960 -10.015 -7.852 479 HB3 SER 62 1HB SER 62 -6.260 -8.590 -7.085 480 HG SER 62 HG SER 62 -7.497 -8.503 -9.265 481 H ALA 63 H ALA 63 -3.596 -9.758 -10.298 482 HA ALA 63 HA ALA 63 -1.662 -7.768 -9.806 483 HB1 ALA 63 3HB ALA 63 -1.557 -9.382 -11.677 484 HB2 ALA 63 1HB ALA 63 -1.332 -7.715 -12.209 485 HB3 ALA 63 2HB ALA 63 -2.880 -8.523 -12.467 486 H ALA 64 H ALA 64 -5.026 -7.567 -10.687 487 HA ALA 64 HA ALA 64 -5.090 -4.841 -11.488 488 HB1 ALA 64 3HB ALA 64 -6.923 -6.408 -11.956 489 HB2 ALA 64 1HB ALA 64 -7.500 -4.981 -11.092 490 HB3 ALA 64 2HB ALA 64 -7.281 -6.506 -10.232 491 H LYS 65 H LYS 65 -5.963 -6.381 -8.386 492 HA LYS 65 HA LYS 65 -6.260 -4.075 -6.835 493 HB2 LYS 65 2HB LYS 65 -6.837 -6.486 -6.228 494 HB3 LYS 65 1HB LYS 65 -5.140 -6.719 -5.852 495 HG2 LYS 65 2HG LYS 65 -6.783 -4.590 -4.503 496 HG3 LYS 65 1HG LYS 65 -6.753 -6.251 -3.920 497 HD2 LYS 65 2HD LYS 65 -4.346 -4.434 -4.207 498 HD3 LYS 65 1HD LYS 65 -5.174 -4.814 -2.698 499 HE2 LYS 65 2HE LYS 65 -4.594 -7.189 -2.993 500 HE3 LYS 65 1HE LYS 65 -3.745 -6.790 -4.486 501 HZ1 LYS 65 3HZ LYS 65 -2.199 -6.976 -2.663 502 HZ2 LYS 65 1HZ LYS 65 -3.045 -5.819 -1.766 503 HZ3 LYS 65 2HZ LYS 65 -2.254 -5.372 -3.191 504 H CYS 66 H CYS 66 -3.377 -5.896 -7.717 505 HA CYS 66 HA CYS 66 -1.521 -4.609 -6.005 506 HB2 CYS 66 2HB CYS 66 -1.068 -6.762 -7.090 507 HB3 CYS 66 1HB CYS 66 -1.067 -5.984 -8.667 508 HG CYS 66 HG CYS 66 1.182 -4.327 -7.891 509 H GLN 67 H GLN 67 -2.397 -3.994 -9.411 510 HA GLN 67 HA GLN 67 -0.510 -1.859 -9.714 511 HB2 GLN 67 2HB GLN 67 -2.802 -2.797 -11.437 512 HB3 GLN 67 1HB GLN 67 -1.746 -1.464 -11.888 513 HG2 GLN 67 2HG GLN 67 0.170 -2.931 -11.910 514 HG3 GLN 67 1HG GLN 67 -0.809 -4.274 -11.321 515 HE21 GLN 67 1HE2 GLN 67 -2.266 -5.254 -12.716 516 HE22 GLN 67 2HE2 GLN 67 -2.181 -5.050 -14.427 517 H GLU 68 H GLU 68 -4.061 -1.936 -9.252 518 HA GLU 68 HA GLU 68 -4.451 0.844 -9.511 519 HB2 GLU 68 2HB GLU 68 -6.108 -1.155 -7.952 520 HB3 GLU 68 1HB GLU 68 -6.610 0.489 -8.343 521 HG2 GLU 68 2HG GLU 68 -6.241 -0.173 -10.788 522 HG3 GLU 68 1HG GLU 68 -6.192 -1.834 -10.202 523 H PHE 69 H PHE 69 -3.664 -1.123 -6.662 524 HA PHE 69 HA PHE 69 -3.733 0.917 -4.730 525 HB2 PHE 69 2HB PHE 69 -3.454 -1.415 -4.087 526 HB3 PHE 69 1HB PHE 69 -1.905 -1.497 -4.921 527 HD1 PHE 69 HD2 PHE 69 -3.661 0.204 -2.121 528 HD2 PHE 69 HD1 PHE 69 0.076 -0.974 -3.792 529 HE1 PHE 69 HE2 PHE 69 -2.522 0.902 -0.055 530 HE2 PHE 69 HE1 PHE 69 1.218 -0.281 -1.731 531 HZ PHE 69 HZ PHE 69 -0.077 0.661 0.141 532 H GLY 70 H GLY 70 -1.048 -0.167 -6.817 533 HA2 GLY 70 2HA GLY 70 0.813 1.808 -6.036 534 HA3 GLY 70 1HA GLY 70 0.838 0.926 -7.554 535 H ARG 71 H ARG 71 -1.781 1.872 -8.414 536 HA ARG 71 HA ARG 71 -1.108 4.262 -9.744 537 HB2 ARG 71 2HB ARG 71 -2.772 2.747 -10.641 538 HB3 ARG 71 1HB ARG 71 -3.795 2.962 -9.228 539 HG2 ARG 71 2HG ARG 71 -4.155 5.310 -9.846 540 HG3 ARG 71 1HG ARG 71 -3.133 5.085 -11.268 541 HD2 ARG 71 2HD ARG 71 -4.679 3.464 -12.180 542 HD3 ARG 71 1HD ARG 71 -5.664 3.528 -10.718 543 HE ARG 71 HE ARG 71 -5.522 6.111 -11.734 544 HH11 ARG 71 1HH1 ARG 71 -6.799 3.050 -12.709 545 HH12 ARG 71 2HH1 ARG 71 -8.080 3.763 -13.620 546 HH21 ARG 71 1HH2 ARG 71 -7.188 6.994 -12.894 547 HH22 ARG 71 2HH2 ARG 71 -8.299 5.965 -13.726 548 H TRP 72 H TRP 72 -3.367 3.738 -7.012 549 HA TRP 72 HA TRP 72 -3.871 6.478 -6.523 550 HB2 TRP 72 2HB TRP 72 -5.303 4.652 -5.650 551 HB3 TRP 72 1HB TRP 72 -4.009 4.168 -4.559 552 HD1 TRP 72 HD TRP 72 -6.518 7.039 -5.123 553 HE1 TRP 72 HE1 TRP 72 -6.808 8.321 -2.913 554 HE3 TRP 72 HE3 TRP 72 -2.930 4.680 -2.339 555 HZ2 TRP 72 HZ2 TRP 72 -5.669 8.331 -0.332 556 HZ3 TRP 72 HZ3 TRP 72 -2.596 5.389 -0.007 557 HH2 TRP 72 HH TRP 72 -3.938 7.179 0.977 558 H TYR 73 H TYR 73 -1.551 4.219 -5.043 559 HA TYR 73 HA TYR 73 -0.382 5.961 -3.194 560 HB2 TYR 73 2HB TYR 73 -0.035 3.520 -3.211 561 HB3 TYR 73 1HB TYR 73 0.907 3.661 -4.690 562 HD1 TYR 73 HD2 TYR 73 0.862 5.134 -1.241 563 HD2 TYR 73 HD1 TYR 73 3.214 3.612 -4.449 564 HE1 TYR 73 HE2 TYR 73 2.893 5.436 0.110 565 HE2 TYR 73 HE1 TYR 73 5.249 3.913 -3.104 566 HH TYR 73 HH TYR 73 6.070 5.085 -1.247 567 H LYS 74 H LYS 74 0.276 5.507 -6.630 568 HA LYS 74 HA LYS 74 2.582 7.112 -6.851 569 HB2 LYS 74 2HB LYS 74 1.882 5.626 -8.641 570 HB3 LYS 74 1HB LYS 74 0.385 6.522 -8.849 571 HG2 LYS 74 2HG LYS 74 1.642 8.468 -9.628 572 HG3 LYS 74 1HG LYS 74 3.155 7.590 -9.392 573 HD2 LYS 74 2HD LYS 74 2.452 7.573 -11.746 574 HD3 LYS 74 1HD LYS 74 2.483 5.945 -11.068 575 HE2 LYS 74 2HE LYS 74 0.050 6.043 -10.743 576 HE3 LYS 74 1HE LYS 74 0.026 7.665 -11.430 577 HZ1 LYS 74 3HZ LYS 74 0.869 5.200 -12.851 578 HZ2 LYS 74 1HZ LYS 74 0.842 6.756 -13.509 579 HZ3 LYS 74 2HZ LYS 74 -0.603 6.008 -13.059 580 H HIS 75 H HIS 75 -0.864 7.943 -7.322 581 HA HIS 75 HA HIS 75 -0.454 10.724 -7.688 582 HB2 HIS 75 2HB HIS 75 -2.544 9.567 -8.327 583 HB3 HIS 75 1HB HIS 75 -2.908 9.287 -6.628 584 HD1 HIS 75 HD1 HIS 75 -4.123 11.127 -5.406 585 HD2 HIS 75 HD2 HIS 75 -2.684 12.350 -9.104 586 HE1 HIS 75 HE1 HIS 75 -5.109 13.401 -5.793 587 HE2 HIS 75 HE2 HIS 75 -4.385 14.023 -8.116 588 H PHE 76 H PHE 76 -0.860 8.725 -4.838 589 HA PHE 76 HA PHE 76 -1.284 10.752 -2.926 590 HB2 PHE 76 2HB PHE 76 -1.779 8.399 -2.472 591 HB3 PHE 76 1HB PHE 76 -0.069 7.994 -2.589 592 HD1 PHE 76 HD1 PHE 76 -2.489 10.038 -0.627 593 HD2 PHE 76 HD2 PHE 76 1.292 8.067 -0.685 594 HE1 PHE 76 HE1 PHE 76 -2.234 10.457 1.782 595 HE2 PHE 76 HE2 PHE 76 1.548 8.487 1.724 596 HZ PHE 76 HZ PHE 76 -0.215 9.679 2.960 597 H LYS 77 H LYS 77 1.735 9.165 -4.011 598 HA LYS 77 HA LYS 77 3.386 10.798 -2.330 599 HB2 LYS 77 2HB LYS 77 3.995 8.964 -4.638 600 HB3 LYS 77 1HB LYS 77 5.245 9.984 -3.935 601 HG2 LYS 77 2HG LYS 77 4.570 8.923 -1.690 602 HG3 LYS 77 1HG LYS 77 3.736 7.716 -2.670 603 HD2 LYS 77 2HD LYS 77 5.992 6.969 -2.050 604 HD3 LYS 77 1HD LYS 77 5.834 7.158 -3.799 605 HE2 LYS 77 2HE LYS 77 7.975 8.051 -2.953 606 HE3 LYS 77 1HE LYS 77 6.985 9.299 -3.703 607 HZ1 LYS 77 3HZ LYS 77 8.029 10.015 -1.619 608 HZ2 LYS 77 1HZ LYS 77 7.171 8.830 -0.775 609 HZ3 LYS 77 2HZ LYS 77 6.344 10.090 -1.539 610 H LYS 78 H LYS 78 2.251 11.066 -5.655 611 HA LYS 78 HA LYS 78 3.875 13.244 -6.428 612 HB2 LYS 78 2HB LYS 78 2.467 11.798 -7.947 613 HB3 LYS 78 1HB LYS 78 1.053 12.670 -7.382 614 HG2 LYS 78 2HG LYS 78 3.356 14.171 -8.572 615 HG3 LYS 78 1HG LYS 78 2.207 13.342 -9.621 616 HD2 LYS 78 2HD LYS 78 0.397 14.680 -8.838 617 HD3 LYS 78 1HD LYS 78 1.359 15.329 -7.509 618 HE2 LYS 78 2HE LYS 78 1.064 16.918 -9.402 619 HE3 LYS 78 1HE LYS 78 2.749 16.562 -9.032 620 HZ1 LYS 78 3HZ LYS 78 2.428 16.532 -11.390 621 HZ2 LYS 78 1HZ LYS 78 1.152 15.429 -11.266 622 HZ3 LYS 78 2HZ LYS 78 2.724 14.950 -10.878 623 H THR 79 H THR 79 0.835 13.062 -4.670 624 HA THR 79 HA THR 79 0.590 15.977 -4.533 625 HB THR 79 HB THR 79 -1.227 13.846 -3.365 626 HG1 THR 79 HG1 THR 79 -1.269 13.737 -5.616 627 HG21 THR 79 3HG2 THR 79 -2.876 15.654 -3.210 628 HG22 THR 79 1HG2 THR 79 -1.674 16.806 -3.798 629 HG23 THR 79 2HG2 THR 79 -1.446 16.008 -2.240 630 H LYS 80 H LYS 80 1.811 16.958 -3.001 631 HA LYS 80 HA LYS 80 2.582 15.640 -0.556 632 HB2 LYS 80 2HB LYS 80 2.877 18.527 -1.420 633 HB3 LYS 80 1HB LYS 80 3.612 17.829 0.019 634 HG2 LYS 80 2HG LYS 80 4.929 16.312 -1.364 635 HG3 LYS 80 1HG LYS 80 4.164 16.953 -2.818 636 HD2 LYS 80 2HD LYS 80 5.871 18.537 -0.889 637 HD3 LYS 80 1HD LYS 80 6.399 17.916 -2.455 638 HE2 LYS 80 2HE LYS 80 4.613 19.274 -3.530 639 HE3 LYS 80 1HE LYS 80 4.234 19.962 -1.952 640 HZ1 LYS 80 3HZ LYS 80 6.459 20.868 -1.842 641 HZ2 LYS 80 1HZ LYS 80 5.689 21.396 -3.254 642 HZ3 LYS 80 2HZ LYS 80 6.855 20.172 -3.331 643 H ASP 81 H ASP 81 0.306 15.151 -0.004 644 HA ASP 81 HA ASP 81 -1.464 17.273 0.766 645 HB2 ASP 81 2HB ASP 81 -2.211 15.079 -0.170 646 HB3 ASP 81 1HB ASP 81 -1.692 14.306 1.325 647 H MET 82 H MET 82 -1.440 18.327 2.655 648 HA MET 82 HA MET 82 -0.141 17.058 4.979 649 HB2 MET 82 2HB MET 82 0.898 19.156 4.229 650 HB3 MET 82 1HB MET 82 -0.636 19.992 4.423 651 HG2 MET 82 2HG MET 82 -0.577 19.590 6.825 652 HG3 MET 82 1HG MET 82 0.929 18.689 6.645 653 HE1 MET 82 3HE MET 82 3.426 21.492 5.500 654 HE2 MET 82 1HE MET 82 2.491 20.409 4.467 655 HE3 MET 82 2HE MET 82 3.250 19.792 5.935 656 H MET 83 H MET 83 -1.334 16.499 6.671 657 HA MET 83 HA MET 83 -4.062 16.396 6.809 658 HB2 MET 83 2HB MET 83 -2.497 15.172 8.282 659 HB3 MET 83 1HB MET 83 -2.186 16.657 9.167 660 HG2 MET 83 2HG MET 83 -4.567 16.733 9.821 661 HG3 MET 83 1HG MET 83 -4.816 15.198 8.991 662 HE1 MET 83 3HE MET 83 -2.239 15.773 12.776 663 HE2 MET 83 1HE MET 83 -3.196 17.043 12.014 664 HE3 MET 83 2HE MET 83 -1.755 16.421 11.208 Start of MODEL 15 1 H1 MET 1 1H MET 1 7.537 2.572 10.441 2 H2 MET 1 2H MET 1 7.064 0.952 10.327 3 H3 MET 1 3H MET 1 8.489 1.468 9.582 4 HA MET 1 HA MET 1 9.502 1.932 11.704 5 HB2 MET 1 2HB MET 1 6.886 0.894 12.831 6 HB3 MET 1 1HB MET 1 8.320 1.259 13.781 7 HG2 MET 1 2HG MET 1 8.152 3.603 13.184 8 HG3 MET 1 1HG MET 1 6.774 3.256 12.141 9 HE1 MET 1 3HE MET 1 7.524 1.643 15.655 10 HE2 MET 1 1HE MET 1 6.638 2.722 16.734 11 HE3 MET 1 2HE MET 1 8.066 3.307 15.880 12 H GLY 2 H GLY 2 10.746 0.303 12.749 13 HA2 GLY 2 2HA GLY 2 10.729 -2.093 13.489 14 HA3 GLY 2 1HA GLY 2 10.109 -2.469 11.893 15 H HIS 3 H HIS 3 12.281 -3.797 12.778 16 HA HIS 3 HA HIS 3 14.668 -2.554 11.608 17 HB2 HIS 3 2HB HIS 3 14.865 -3.709 13.788 18 HB3 HIS 3 1HB HIS 3 14.332 -5.208 13.041 19 HD1 HIS 3 HD1 HIS 3 17.239 -2.771 12.895 20 HD2 HIS 3 HD2 HIS 3 16.346 -6.725 11.972 21 HE1 HIS 3 HE1 HIS 3 19.425 -3.821 12.257 22 HE2 HIS 3 HE2 HIS 3 18.885 -6.241 11.838 23 H HIS 4 H HIS 4 12.096 -4.144 10.455 24 HA HIS 4 HA HIS 4 13.175 -6.260 8.900 25 HB2 HIS 4 2HB HIS 4 10.754 -5.819 9.712 26 HB3 HIS 4 1HB HIS 4 10.602 -4.805 8.284 27 HD1 HIS 4 HD1 HIS 4 10.504 -8.285 9.429 28 HD2 HIS 4 HD2 HIS 4 10.787 -6.289 5.796 29 HE1 HIS 4 HE1 HIS 4 9.935 -9.990 7.680 30 HE2 HIS 4 HE2 HIS 4 10.012 -8.738 5.503 31 H HIS 5 H HIS 5 14.223 -3.318 8.471 32 HA HIS 5 HA HIS 5 13.811 -3.197 5.553 33 HB2 HIS 5 2HB HIS 5 14.637 -1.023 7.491 34 HB3 HIS 5 1HB HIS 5 14.590 -0.823 5.741 35 HD1 HIS 5 HD1 HIS 5 12.381 -0.211 4.724 36 HD2 HIS 5 HD2 HIS 5 12.024 -1.461 8.669 37 HE1 HIS 5 HE1 HIS 5 9.990 0.209 5.348 38 HE2 HIS 5 HE2 HIS 5 9.763 -0.691 7.686 39 H HIS 6 H HIS 6 15.407 -4.825 5.146 40 HA HIS 6 HA HIS 6 18.202 -4.055 5.622 41 HB2 HIS 6 2HB HIS 6 17.133 -6.537 4.247 42 HB3 HIS 6 1HB HIS 6 18.783 -6.260 4.791 43 HD1 HIS 6 HD1 HIS 6 15.728 -7.840 5.791 44 HD2 HIS 6 HD2 HIS 6 18.868 -5.973 7.776 45 HE1 HIS 6 HE1 HIS 6 15.593 -8.638 8.165 46 HE2 HIS 6 HE2 HIS 6 17.571 -7.609 9.314 47 H HIS 7 H HIS 7 18.779 -2.458 4.217 48 HA HIS 7 HA HIS 7 19.203 -1.314 2.301 49 HB2 HIS 7 2HB HIS 7 18.645 -3.950 0.916 50 HB3 HIS 7 1HB HIS 7 19.354 -2.535 0.148 51 HD1 HIS 7 HD1 HIS 7 21.843 -2.121 0.522 52 HD2 HIS 7 HD2 HIS 7 20.360 -5.314 2.723 53 HE1 HIS 7 HE1 HIS 7 23.857 -3.303 1.427 54 HE2 HIS 7 HE2 HIS 7 22.937 -5.358 2.542 55 H HIS 8 H HIS 8 18.109 -0.038 0.793 56 HA HIS 8 HA HIS 8 15.467 -0.837 -0.122 57 HB2 HIS 8 2HB HIS 8 14.407 1.295 0.641 58 HB3 HIS 8 1HB HIS 8 14.852 0.212 1.954 59 HD1 HIS 8 HD1 HIS 8 16.166 3.342 0.243 60 HD2 HIS 8 HD2 HIS 8 16.376 1.364 3.890 61 HE1 HIS 8 HE1 HIS 8 17.390 4.898 1.781 62 HE2 HIS 8 HE2 HIS 8 17.368 3.746 4.012 63 H SER 9 H SER 9 15.362 -0.379 -2.222 64 HA SER 9 HA SER 9 16.438 2.163 -3.213 65 HB2 SER 9 2HB SER 9 17.650 1.096 -5.049 66 HB3 SER 9 1HB SER 9 18.250 0.496 -3.504 67 HG SER 9 HG SER 9 17.960 -1.281 -4.769 68 H HIS 10 H HIS 10 14.798 3.113 -4.221 69 HA HIS 10 HA HIS 10 13.242 3.577 -5.809 70 HB2 HIS 10 2HB HIS 10 14.247 1.022 -7.079 71 HB3 HIS 10 1HB HIS 10 13.252 2.234 -7.882 72 HD1 HIS 10 HD1 HIS 10 14.463 4.132 -8.979 73 HD2 HIS 10 HD2 HIS 10 16.907 2.002 -6.382 74 HE1 HIS 10 HE1 HIS 10 16.766 5.074 -9.295 75 HE2 HIS 10 HE2 HIS 10 18.241 3.715 -7.782 76 H MET 11 H MET 11 12.797 0.893 -3.844 77 HA MET 11 HA MET 11 10.400 -0.119 -5.082 78 HB2 MET 11 2HB MET 11 11.904 -1.587 -3.780 79 HB3 MET 11 1HB MET 11 11.509 -0.685 -2.323 80 HG2 MET 11 2HG MET 11 9.174 -1.372 -2.519 81 HG3 MET 11 1HG MET 11 9.551 -2.255 -3.995 82 HE1 MET 11 3HE MET 11 11.194 -3.418 0.168 83 HE2 MET 11 1HE MET 11 10.044 -2.104 -0.080 84 HE3 MET 11 2HE MET 11 11.688 -1.964 -0.701 85 H LEU 12 H LEU 12 11.106 2.091 -2.413 86 HA LEU 12 HA LEU 12 8.454 2.250 -1.418 87 HB2 LEU 12 2HB LEU 12 10.754 4.202 -1.192 88 HB3 LEU 12 1HB LEU 12 9.212 4.430 -0.391 89 HG LEU 12 HG LEU 12 9.603 2.243 0.808 90 HD11 LEU 12 1HD1 LEU 12 11.891 1.387 0.921 91 HD12 LEU 12 2HD1 LEU 12 12.391 2.545 -0.314 92 HD13 LEU 12 3HD1 LEU 12 11.241 1.268 -0.715 93 HD21 LEU 12 3HD2 LEU 12 11.163 3.211 2.431 94 HD22 LEU 12 1HD2 LEU 12 9.970 4.394 1.893 95 HD23 LEU 12 2HD2 LEU 12 11.616 4.449 1.260 96 HA PRO 13 HA PRO 13 7.974 5.990 -4.588 97 HB2 PRO 13 2HB PRO 13 10.107 5.169 -6.504 98 HB3 PRO 13 1HB PRO 13 9.592 6.790 -6.022 99 HG2 PRO 13 2HG PRO 13 11.892 5.791 -5.135 100 HG3 PRO 13 1HG PRO 13 10.850 6.749 -4.063 101 HD2 PRO 13 2HD PRO 13 11.192 3.769 -4.208 102 HD3 PRO 13 1HD PRO 13 11.077 4.821 -2.780 103 HA PRO 14 HA PRO 14 5.665 3.096 -7.019 104 HB2 PRO 14 2HB PRO 14 4.579 4.633 -8.932 105 HB3 PRO 14 1HB PRO 14 4.187 4.875 -7.224 106 HG2 PRO 14 2HG PRO 14 6.141 6.372 -8.946 107 HG3 PRO 14 1HG PRO 14 4.923 7.017 -7.828 108 HD2 PRO 14 2HD PRO 14 7.556 6.741 -7.159 109 HD3 PRO 14 1HD PRO 14 6.239 6.633 -5.974 110 H GLU 15 H GLU 15 8.496 3.062 -7.753 111 HA GLU 15 HA GLU 15 8.614 3.146 -10.650 112 HB2 GLU 15 2HB GLU 15 10.496 3.921 -9.199 113 HB3 GLU 15 1HB GLU 15 10.746 2.254 -8.698 114 HG2 GLU 15 2HG GLU 15 11.325 1.611 -10.950 115 HG3 GLU 15 1HG GLU 15 10.921 3.218 -11.551 116 H GLN 16 H GLN 16 8.821 0.635 -8.121 117 HA GLN 16 HA GLN 16 7.928 -1.356 -10.041 118 HB2 GLN 16 2HB GLN 16 10.383 -1.337 -10.325 119 HB3 GLN 16 1HB GLN 16 10.577 -1.674 -8.609 120 HG2 GLN 16 2HG GLN 16 9.416 -3.820 -8.909 121 HG3 GLN 16 1HG GLN 16 9.260 -3.480 -10.633 122 HE21 GLN 16 1HE2 GLN 16 10.462 -5.289 -11.214 123 HE22 GLN 16 2HE2 GLN 16 12.172 -5.371 -10.979 124 H TRP 17 H TRP 17 6.144 -1.898 -8.870 125 HA TRP 17 HA TRP 17 6.536 -2.790 -6.082 126 HB2 TRP 17 2HB TRP 17 4.171 -1.566 -7.482 127 HB3 TRP 17 1HB TRP 17 3.952 -2.519 -6.017 128 HD1 TRP 17 HD TRP 17 6.486 0.300 -6.938 129 HE1 TRP 17 HE1 TRP 17 6.514 1.990 -4.997 130 HE3 TRP 17 HE3 TRP 17 2.953 -1.858 -3.935 131 HZ2 TRP 17 HZ2 TRP 17 5.193 2.371 -2.532 132 HZ3 TRP 17 HZ3 TRP 17 2.385 -0.763 -1.803 133 HH2 TRP 17 HH TRP 17 3.486 1.311 -1.117 134 H SER 18 H SER 18 6.065 -4.805 -5.482 135 HA SER 18 HA SER 18 5.553 -6.754 -7.589 136 HB2 SER 18 2HB SER 18 6.325 -7.160 -4.683 137 HB3 SER 18 1HB SER 18 6.245 -8.424 -5.911 138 HG SER 18 HG SER 18 8.098 -6.337 -5.606 139 H HIS 19 H HIS 19 4.423 -8.873 -6.298 140 HA HIS 19 HA HIS 19 1.667 -8.144 -6.529 141 HB2 HIS 19 2HB HIS 19 2.887 -10.800 -5.737 142 HB3 HIS 19 1HB HIS 19 1.216 -10.541 -6.226 143 HD1 HIS 19 HD1 HIS 19 4.419 -11.500 -7.551 144 HD2 HIS 19 HD2 HIS 19 1.070 -9.534 -9.028 145 HE1 HIS 19 HE1 HIS 19 4.642 -11.574 -10.047 146 HE2 HIS 19 HE2 HIS 19 2.694 -10.243 -10.908 147 H THR 20 H THR 20 3.280 -9.907 -3.853 148 HA THR 20 HA THR 20 1.032 -9.264 -2.100 149 HB THR 20 HB THR 20 3.440 -11.021 -1.530 150 HG1 THR 20 HG1 THR 20 1.294 -12.500 -1.879 151 HG21 THR 20 3HG2 THR 20 2.281 -10.296 0.499 152 HG22 THR 20 1HG2 THR 20 1.990 -12.011 0.203 153 HG23 THR 20 2HG2 THR 20 0.740 -10.825 -0.175 154 H THR 21 H THR 21 4.242 -8.130 -2.634 155 HA THR 21 HA THR 21 5.199 -7.380 -0.168 156 HB THR 21 HB THR 21 5.402 -5.798 -2.744 157 HG1 THR 21 HG1 THR 21 7.407 -6.903 -2.906 158 HG21 THR 21 3HG2 THR 21 5.975 -4.362 -0.845 159 HG22 THR 21 1HG2 THR 21 7.424 -4.786 -1.758 160 HG23 THR 21 2HG2 THR 21 7.077 -5.594 -0.230 161 H VAL 22 H VAL 22 2.579 -5.827 -1.931 162 HA VAL 22 HA VAL 22 2.395 -3.378 -0.625 163 HB VAL 22 HB VAL 22 0.069 -5.105 -1.512 164 HG11 VAL 22 1HG1 VAL 22 -1.148 -2.982 -1.750 165 HG12 VAL 22 2HG1 VAL 22 0.242 -2.114 -1.095 166 HG13 VAL 22 3HG1 VAL 22 -0.641 -3.257 -0.084 167 HG21 VAL 22 3HG2 VAL 22 1.661 -4.805 -3.328 168 HG22 VAL 22 1HG2 VAL 22 1.676 -3.061 -3.058 169 HG23 VAL 22 2HG2 VAL 22 0.209 -3.851 -3.635 170 H ARG 23 H ARG 23 1.486 -6.559 0.517 171 HA ARG 23 HA ARG 23 -0.133 -5.985 2.704 172 HB2 ARG 23 2HB ARG 23 0.378 -8.256 1.821 173 HB3 ARG 23 1HB ARG 23 1.994 -8.136 2.496 174 HG2 ARG 23 2HG ARG 23 1.049 -8.037 4.753 175 HG3 ARG 23 1HG ARG 23 -0.579 -8.139 4.077 176 HD2 ARG 23 2HD ARG 23 0.053 -10.334 3.061 177 HD3 ARG 23 1HD ARG 23 1.597 -10.233 3.909 178 HE ARG 23 HE ARG 23 -0.379 -9.933 5.823 179 HH11 ARG 23 1HH1 ARG 23 0.708 -12.367 3.645 180 HH12 ARG 23 2HH1 ARG 23 0.065 -13.655 4.598 181 HH21 ARG 23 1HH2 ARG 23 -1.186 -11.582 7.036 182 HH22 ARG 23 2HH2 ARG 23 -1.004 -13.218 6.503 183 H ASN 24 H ASN 24 3.377 -5.836 2.404 184 HA ASN 24 HA ASN 24 3.819 -5.191 5.194 185 HB2 ASN 24 2HB ASN 24 5.424 -6.419 3.562 186 HB3 ASN 24 1HB ASN 24 5.811 -4.820 2.948 187 HD21 ASN 24 1HD2 ASN 24 5.639 -3.555 5.615 188 HD22 ASN 24 2HD2 ASN 24 7.051 -4.068 6.453 189 H ALA 25 H ALA 25 3.396 -3.475 2.167 190 HA ALA 25 HA ALA 25 4.484 -0.979 2.868 191 HB1 ALA 25 3HB ALA 25 2.229 -1.534 0.941 192 HB2 ALA 25 1HB ALA 25 3.949 -1.616 0.562 193 HB3 ALA 25 2HB ALA 25 3.217 -0.073 1.000 194 H LEU 26 H LEU 26 1.169 -2.220 3.269 195 HA LEU 26 HA LEU 26 0.276 0.309 4.424 196 HB2 LEU 26 2HB LEU 26 -1.214 -2.295 4.040 197 HB3 LEU 26 1HB LEU 26 -1.929 -0.770 4.531 198 HG LEU 26 HG LEU 26 -0.623 -1.313 1.856 199 HD11 LEU 26 1HD1 LEU 26 -2.881 -1.186 0.948 200 HD12 LEU 26 2HD1 LEU 26 -3.538 -0.983 2.573 201 HD13 LEU 26 3HD1 LEU 26 -2.748 -2.495 2.123 202 HD21 LEU 26 3HD2 LEU 26 -2.100 1.130 2.853 203 HD22 LEU 26 1HD2 LEU 26 -1.507 0.877 1.212 204 HD23 LEU 26 2HD2 LEU 26 -0.366 1.020 2.546 205 H LYS 27 H LYS 27 1.927 -2.252 5.658 206 HA LYS 27 HA LYS 27 0.550 -3.224 7.848 207 HB2 LYS 27 2HB LYS 27 2.913 -3.786 6.797 208 HB3 LYS 27 1HB LYS 27 3.501 -2.744 8.081 209 HG2 LYS 27 2HG LYS 27 1.725 -5.124 8.581 210 HG3 LYS 27 1HG LYS 27 3.483 -5.223 8.551 211 HD2 LYS 27 2HD LYS 27 3.585 -3.585 10.401 212 HD3 LYS 27 1HD LYS 27 1.821 -3.540 10.439 213 HE2 LYS 27 2HE LYS 27 1.735 -5.894 11.023 214 HE3 LYS 27 1HE LYS 27 3.486 -6.024 10.874 215 HZ1 LYS 27 3HZ LYS 27 2.018 -4.401 12.886 216 HZ2 LYS 27 1HZ LYS 27 3.702 -4.465 12.728 217 HZ3 LYS 27 2HZ LYS 27 2.842 -5.850 13.175 218 H ASP 28 H ASP 28 2.948 -0.548 7.973 219 HA ASP 28 HA ASP 28 2.300 0.125 10.666 220 HB2 ASP 28 2HB ASP 28 3.965 1.397 8.528 221 HB3 ASP 28 1HB ASP 28 3.571 2.319 9.975 222 H LEU 29 H LEU 29 1.093 1.280 7.568 223 HA LEU 29 HA LEU 29 -0.111 3.668 8.497 224 HB2 LEU 29 2HB LEU 29 -0.730 1.908 6.122 225 HB3 LEU 29 1HB LEU 29 -1.591 3.402 6.437 226 HG LEU 29 HG LEU 29 0.095 3.829 4.783 227 HD11 LEU 29 1HD1 LEU 29 -0.291 5.607 6.408 228 HD12 LEU 29 2HD1 LEU 29 1.382 5.605 5.853 229 HD13 LEU 29 3HD1 LEU 29 0.981 4.952 7.442 230 HD21 LEU 29 3HD2 LEU 29 1.590 1.959 5.245 231 HD22 LEU 29 1HD2 LEU 29 2.113 2.728 6.745 232 HD23 LEU 29 2HD2 LEU 29 2.483 3.477 5.191 233 H LEU 30 H LEU 30 -1.202 0.343 8.453 234 HA LEU 30 HA LEU 30 -3.932 0.704 8.969 235 HB2 LEU 30 2HB LEU 30 -2.879 -1.416 8.269 236 HB3 LEU 30 1HB LEU 30 -2.129 -1.557 9.846 237 HG LEU 30 HG LEU 30 -4.371 -1.743 10.882 238 HD11 LEU 30 1HD1 LEU 30 -6.339 -2.102 9.473 239 HD12 LEU 30 2HD1 LEU 30 -5.381 -1.752 8.035 240 HD13 LEU 30 3HD1 LEU 30 -5.663 -0.491 9.235 241 HD21 LEU 30 3HD2 LEU 30 -3.813 -3.731 8.678 242 HD22 LEU 30 1HD2 LEU 30 -4.880 -4.005 10.055 243 HD23 LEU 30 2HD2 LEU 30 -3.152 -3.765 10.312 244 H LYS 31 H LYS 31 -1.200 1.072 11.100 245 HA LYS 31 HA LYS 31 -2.432 0.594 13.591 246 HB2 LYS 31 2HB LYS 31 -0.232 2.605 13.041 247 HB3 LYS 31 1HB LYS 31 -0.620 1.872 14.591 248 HG2 LYS 31 2HG LYS 31 -0.050 -0.361 13.494 249 HG3 LYS 31 1HG LYS 31 0.649 0.593 12.184 250 HD2 LYS 31 2HD LYS 31 1.473 0.569 15.092 251 HD3 LYS 31 1HD LYS 31 2.413 0.009 13.710 252 HE2 LYS 31 2HE LYS 31 1.584 2.873 14.206 253 HE3 LYS 31 1HE LYS 31 3.169 2.202 14.571 254 HZ1 LYS 31 3HZ LYS 31 3.503 1.762 12.235 255 HZ2 LYS 31 1HZ LYS 31 3.138 3.397 12.466 256 HZ3 LYS 31 2HZ LYS 31 1.960 2.346 11.865 257 H ASP 32 H ASP 32 -2.189 3.575 11.666 258 HA ASP 32 HA ASP 32 -3.676 5.095 13.653 259 HB2 ASP 32 2HB ASP 32 -2.613 5.920 10.937 260 HB3 ASP 32 1HB ASP 32 -3.330 7.002 12.129 261 H MET 33 H MET 33 -4.104 4.893 10.117 262 HA MET 33 HA MET 33 -7.001 5.064 10.516 263 HB2 MET 33 2HB MET 33 -7.075 5.575 8.075 264 HB3 MET 33 1HB MET 33 -6.144 6.726 9.019 265 HG2 MET 33 2HG MET 33 -4.064 5.650 8.272 266 HG3 MET 33 1HG MET 33 -5.009 4.520 7.302 267 HE1 MET 33 3HE MET 33 -7.342 6.441 6.225 268 HE2 MET 33 1HE MET 33 -6.508 5.253 5.224 269 HE3 MET 33 2HE MET 33 -6.665 6.920 4.669 270 H ASN 34 H ASN 34 -8.052 3.196 10.637 271 HA ASN 34 HA ASN 34 -6.978 0.728 9.695 272 HB2 ASN 34 2HB ASN 34 -9.778 1.375 10.645 273 HB3 ASN 34 1HB ASN 34 -9.118 -0.245 10.434 274 HD21 ASN 34 1HD2 ASN 34 -6.460 0.556 11.477 275 HD22 ASN 34 2HD2 ASN 34 -6.675 0.707 13.182 276 H GLN 35 H GLN 35 -8.757 -0.750 8.452 277 HA GLN 35 HA GLN 35 -8.424 0.085 5.782 278 HB2 GLN 35 2HB GLN 35 -10.175 -2.140 6.848 279 HB3 GLN 35 1HB GLN 35 -9.634 -1.960 5.182 280 HG2 GLN 35 2HG GLN 35 -7.303 -2.198 5.923 281 HG3 GLN 35 1HG GLN 35 -7.858 -2.412 7.581 282 HE21 GLN 35 1HE2 GLN 35 -6.311 -4.227 5.947 283 HE22 GLN 35 2HE2 GLN 35 -7.225 -5.684 5.844 284 H SER 36 H SER 36 -11.245 0.166 7.910 285 HA SER 36 HA SER 36 -13.193 0.941 6.045 286 HB2 SER 36 2HB SER 36 -13.780 0.317 8.338 287 HB3 SER 36 1HB SER 36 -12.940 1.733 8.964 288 HG SER 36 HG SER 36 -15.216 2.037 8.799 289 H SER 37 H SER 37 -10.717 2.819 7.688 290 HA SER 37 HA SER 37 -11.636 5.352 6.625 291 HB2 SER 37 2HB SER 37 -8.978 4.712 7.938 292 HB3 SER 37 1HB SER 37 -9.696 6.308 7.724 293 HG SER 37 HG SER 37 -11.122 5.904 9.298 294 H LEU 38 H LEU 38 -9.190 2.946 5.868 295 HA LEU 38 HA LEU 38 -7.731 4.430 3.948 296 HB2 LEU 38 2HB LEU 38 -7.062 2.296 5.189 297 HB3 LEU 38 1HB LEU 38 -8.042 1.422 4.035 298 HG LEU 38 HG LEU 38 -5.553 1.430 3.601 299 HD11 LEU 38 1HD1 LEU 38 -5.747 1.697 1.195 300 HD12 LEU 38 2HD1 LEU 38 -7.276 2.550 1.393 301 HD13 LEU 38 3HD1 LEU 38 -7.148 0.850 1.845 302 HD21 LEU 38 3HD2 LEU 38 -6.068 4.304 2.836 303 HD22 LEU 38 1HD2 LEU 38 -4.573 3.408 2.556 304 HD23 LEU 38 2HD2 LEU 38 -5.101 3.749 4.203 305 H ALA 39 H ALA 39 -10.607 2.406 3.727 306 HA ALA 39 HA ALA 39 -10.670 2.253 0.871 307 HB1 ALA 39 3HB ALA 39 -12.850 1.233 1.152 308 HB2 ALA 39 1HB ALA 39 -12.912 1.760 2.836 309 HB3 ALA 39 2HB ALA 39 -11.718 0.567 2.327 310 H LYS 40 H LYS 40 -10.866 4.995 2.494 311 HA LYS 40 HA LYS 40 -13.275 6.157 1.459 312 HB2 LYS 40 2HB LYS 40 -12.229 7.054 3.479 313 HB3 LYS 40 1HB LYS 40 -10.782 7.469 2.569 314 HG2 LYS 40 2HG LYS 40 -11.931 9.158 1.340 315 HG3 LYS 40 1HG LYS 40 -13.498 8.625 1.952 316 HD2 LYS 40 2HD LYS 40 -11.273 9.819 3.620 317 HD3 LYS 40 1HD LYS 40 -12.712 10.677 3.065 318 HE2 LYS 40 2HE LYS 40 -12.633 8.311 4.942 319 HE3 LYS 40 1HE LYS 40 -13.018 9.978 5.364 320 HZ1 LYS 40 3HZ LYS 40 -14.609 8.231 3.560 321 HZ2 LYS 40 1HZ LYS 40 -14.980 9.837 3.940 322 HZ3 LYS 40 2HZ LYS 40 -15.015 8.650 5.144 323 H GLU 41 H GLU 41 -9.893 7.133 0.737 324 HA GLU 41 HA GLU 41 -10.704 7.943 -1.935 325 HB2 GLU 41 2HB GLU 41 -8.348 8.696 -2.194 326 HB3 GLU 41 1HB GLU 41 -9.162 9.410 -0.812 327 HG2 GLU 41 2HG GLU 41 -7.605 6.948 -0.289 328 HG3 GLU 41 1HG GLU 41 -6.683 8.385 -0.717 329 H CYS 42 H CYS 42 -9.593 5.075 -0.533 330 HA CYS 42 HA CYS 42 -8.096 4.071 -2.778 331 HB2 CYS 42 2HB CYS 42 -7.636 3.169 -0.574 332 HB3 CYS 42 1HB CYS 42 -9.308 2.643 -0.402 333 HG CYS 42 HG CYS 42 -7.349 0.537 -0.916 334 HA PRO 43 HA PRO 43 -11.644 2.835 -5.188 335 HB2 PRO 43 2HB PRO 43 -10.380 1.476 -7.136 336 HB3 PRO 43 1HB PRO 43 -10.236 3.232 -6.983 337 HG2 PRO 43 2HG PRO 43 -8.336 1.093 -6.076 338 HG3 PRO 43 1HG PRO 43 -7.983 2.609 -6.927 339 HD2 PRO 43 2HD PRO 43 -7.689 2.303 -4.228 340 HD3 PRO 43 1HD PRO 43 -8.074 3.859 -4.993 341 H LEU 44 H LEU 44 -9.769 0.696 -3.345 342 HA LEU 44 HA LEU 44 -11.217 -1.699 -4.234 343 HB2 LEU 44 2HB LEU 44 -8.966 -1.452 -2.230 344 HB3 LEU 44 1HB LEU 44 -9.645 -2.951 -2.838 345 HG LEU 44 HG LEU 44 -8.048 -0.920 -4.414 346 HD11 LEU 44 1HD1 LEU 44 -6.435 -2.751 -4.647 347 HD12 LEU 44 2HD1 LEU 44 -7.441 -3.770 -3.616 348 HD13 LEU 44 3HD1 LEU 44 -6.689 -2.315 -2.957 349 HD21 LEU 44 3HD2 LEU 44 -9.808 -1.837 -5.825 350 HD22 LEU 44 1HD2 LEU 44 -9.348 -3.477 -5.364 351 HD23 LEU 44 2HD2 LEU 44 -8.237 -2.479 -6.300 352 H SER 45 H SER 45 -11.726 -3.253 -2.271 353 HA SER 45 HA SER 45 -13.351 -1.687 -0.364 354 HB2 SER 45 2HB SER 45 -14.724 -3.066 -1.808 355 HB3 SER 45 1HB SER 45 -13.762 -4.493 -1.425 356 HG SER 45 HG SER 45 -15.433 -4.666 -0.073 357 H GLN 46 H GLN 46 -13.711 -2.661 1.787 358 HA GLN 46 HA GLN 46 -11.249 -3.205 3.072 359 HB2 GLN 46 2HB GLN 46 -13.011 -2.037 4.241 360 HB3 GLN 46 1HB GLN 46 -14.095 -3.413 4.078 361 HG2 GLN 46 2HG GLN 46 -12.732 -4.727 5.570 362 HG3 GLN 46 1HG GLN 46 -11.516 -3.453 5.644 363 HE21 GLN 46 1HE2 GLN 46 -14.707 -4.425 6.653 364 HE22 GLN 46 2HE2 GLN 46 -14.884 -3.239 7.896 365 H SER 47 H SER 47 -14.019 -5.331 2.322 366 HA SER 47 HA SER 47 -13.049 -7.663 3.557 367 HB2 SER 47 2HB SER 47 -14.844 -7.403 1.128 368 HB3 SER 47 1HB SER 47 -14.574 -8.904 2.013 369 HG SER 47 HG SER 47 -16.249 -8.210 3.097 370 H MET 48 H MET 48 -11.948 -6.084 0.724 371 HA MET 48 HA MET 48 -10.620 -8.374 -0.431 372 HB2 MET 48 2HB MET 48 -10.156 -5.420 -0.933 373 HB3 MET 48 1HB MET 48 -9.576 -6.745 -1.934 374 HG2 MET 48 2HG MET 48 -11.848 -7.323 -2.542 375 HG3 MET 48 1HG MET 48 -12.477 -6.081 -1.460 376 HE1 MET 48 3HE MET 48 -10.543 -6.804 -4.808 377 HE2 MET 48 1HE MET 48 -9.349 -5.920 -3.856 378 HE3 MET 48 2HE MET 48 -10.056 -5.179 -5.290 379 H ILE 49 H ILE 49 -9.409 -5.357 1.049 380 HA ILE 49 HA ILE 49 -6.723 -6.161 1.235 381 HB ILE 49 HB ILE 49 -8.148 -4.120 2.962 382 HG12 ILE 49 2HG1 ILE 49 -6.713 -3.772 0.310 383 HG13 ILE 49 1HG1 ILE 49 -8.454 -3.693 0.545 384 HG21 ILE 49 1HG2 ILE 49 -5.962 -4.732 3.855 385 HG22 ILE 49 2HG2 ILE 49 -5.925 -3.094 3.199 386 HG23 ILE 49 3HG2 ILE 49 -5.217 -4.427 2.285 387 HD11 ILE 49 3HD1 ILE 49 -8.172 -1.716 1.958 388 HD12 ILE 49 1HD1 ILE 49 -7.492 -1.477 0.348 389 HD13 ILE 49 2HD1 ILE 49 -6.427 -1.796 1.716 390 H SER 50 H SER 50 -9.367 -6.422 3.585 391 HA SER 50 HA SER 50 -7.957 -7.214 5.852 392 HB2 SER 50 2HB SER 50 -10.351 -6.693 5.906 393 HB3 SER 50 1HB SER 50 -10.705 -8.134 4.953 394 HG SER 50 HG SER 50 -10.514 -9.330 6.685 395 H SER 51 H SER 51 -9.218 -9.238 3.216 396 HA SER 51 HA SER 51 -8.347 -11.703 4.385 397 HB2 SER 51 2HB SER 51 -9.177 -11.103 1.531 398 HB3 SER 51 1HB SER 51 -9.009 -12.711 2.238 399 HG SER 51 HG SER 51 -11.168 -12.084 2.312 400 H ILE 52 H ILE 52 -6.627 -9.263 2.846 401 HA ILE 52 HA ILE 52 -4.566 -11.081 1.808 402 HB ILE 52 HB ILE 52 -4.784 -8.067 1.565 403 HG12 ILE 52 2HG1 ILE 52 -5.263 -10.242 -0.496 404 HG13 ILE 52 1HG1 ILE 52 -6.526 -9.319 0.310 405 HG21 ILE 52 1HG2 ILE 52 -2.842 -9.995 0.274 406 HG22 ILE 52 2HG2 ILE 52 -2.457 -8.795 1.509 407 HG23 ILE 52 3HG2 ILE 52 -2.975 -8.277 -0.096 408 HD11 ILE 52 3HD1 ILE 52 -4.425 -8.202 -1.537 409 HD12 ILE 52 1HD1 ILE 52 -5.689 -7.272 -0.729 410 HD13 ILE 52 2HD1 ILE 52 -6.117 -8.490 -1.930 411 H VAL 53 H VAL 53 -4.852 -8.275 4.018 412 HA VAL 53 HA VAL 53 -2.170 -8.308 4.883 413 HB VAL 53 HB VAL 53 -3.581 -6.338 5.182 414 HG11 VAL 53 1HG1 VAL 53 -5.279 -6.238 6.958 415 HG12 VAL 53 2HG1 VAL 53 -5.058 -7.964 7.251 416 HG13 VAL 53 3HG1 VAL 53 -5.699 -7.408 5.704 417 HG21 VAL 53 3HG2 VAL 53 -1.611 -6.591 6.611 418 HG22 VAL 53 1HG2 VAL 53 -2.583 -7.427 7.820 419 HG23 VAL 53 2HG2 VAL 53 -2.897 -5.729 7.458 420 H ASN 54 H ASN 54 -5.043 -9.946 6.190 421 HA ASN 54 HA ASN 54 -3.320 -11.346 8.145 422 HB2 ASN 54 2HB ASN 54 -6.346 -11.161 8.030 423 HB3 ASN 54 1HB ASN 54 -5.420 -12.003 9.269 424 HD21 ASN 54 1HD2 ASN 54 -4.122 -10.747 10.700 425 HD22 ASN 54 2HD2 ASN 54 -4.500 -9.085 10.987 426 H SER 55 H SER 55 -3.438 -11.965 5.248 427 HA SER 55 HA SER 55 -5.177 -14.156 4.778 428 HB2 SER 55 2HB SER 55 -4.274 -12.793 2.945 429 HB3 SER 55 1HB SER 55 -2.658 -13.418 3.277 430 HG SER 55 HG SER 55 -3.892 -14.497 1.568 431 H THR 56 H THR 56 -4.973 -16.272 4.999 432 HA THR 56 HA THR 56 -2.387 -17.409 5.872 433 HB THR 56 HB THR 56 -3.882 -17.762 7.664 434 HG1 THR 56 HG1 THR 56 -3.616 -19.873 7.799 435 HG21 THR 56 3HG2 THR 56 -6.144 -18.694 7.419 436 HG22 THR 56 1HG2 THR 56 -5.946 -18.715 5.666 437 HG23 THR 56 2HG2 THR 56 -5.976 -17.178 6.532 438 H TYR 57 H TYR 57 -5.204 -17.891 3.797 439 HA TYR 57 HA TYR 57 -4.023 -20.294 2.603 440 HB2 TYR 57 2HB TYR 57 -6.416 -20.236 3.394 441 HB3 TYR 57 1HB TYR 57 -6.755 -19.075 2.117 442 HD1 TYR 57 HD1 TYR 57 -6.771 -19.801 -0.251 443 HD2 TYR 57 HD2 TYR 57 -6.106 -22.580 2.910 444 HE1 TYR 57 HE1 TYR 57 -7.253 -21.661 -1.789 445 HE2 TYR 57 HE2 TYR 57 -6.582 -24.441 1.379 446 HH TYR 57 HH TYR 57 -6.639 -24.163 -1.917 447 H TYR 58 H TYR 58 -4.865 -16.982 1.790 448 HA TYR 58 HA TYR 58 -4.403 -17.417 -1.073 449 HB2 TYR 58 2HB TYR 58 -6.434 -16.209 -0.267 450 HB3 TYR 58 1HB TYR 58 -5.395 -14.955 0.393 451 HD1 TYR 58 HD2 TYR 58 -5.643 -16.744 -2.898 452 HD2 TYR 58 HD1 TYR 58 -5.464 -13.013 -0.847 453 HE1 TYR 58 HE2 TYR 58 -5.750 -15.559 -5.049 454 HE2 TYR 58 HE1 TYR 58 -5.575 -11.822 -2.993 455 HH TYR 58 HH TYR 58 -6.346 -13.397 -5.941 456 H ALA 59 H ALA 59 -2.134 -17.611 -1.153 457 HA ALA 59 HA ALA 59 -0.429 -15.751 0.245 458 HB1 ALA 59 3HB ALA 59 1.415 -17.052 -0.674 459 HB2 ALA 59 1HB ALA 59 0.293 -17.925 -1.721 460 HB3 ALA 59 2HB ALA 59 0.187 -18.105 0.031 461 H ASN 60 H ASN 60 -0.883 -16.512 -3.235 462 HA ASN 60 HA ASN 60 0.509 -14.006 -3.893 463 HB2 ASN 60 2HB ASN 60 1.286 -16.145 -4.948 464 HB3 ASN 60 1HB ASN 60 -0.266 -16.249 -5.775 465 HD21 ASN 60 1HD2 ASN 60 0.639 -16.073 -7.817 466 HD22 ASN 60 2HD2 ASN 60 1.336 -14.606 -8.404 467 H VAL 61 H VAL 61 -0.694 -12.283 -4.282 468 HA VAL 61 HA VAL 61 -3.545 -12.543 -4.726 469 HB VAL 61 HB VAL 61 -2.656 -10.914 -3.100 470 HG11 VAL 61 1HG1 VAL 61 -1.612 -8.834 -3.879 471 HG12 VAL 61 2HG1 VAL 61 -1.578 -9.470 -5.524 472 HG13 VAL 61 3HG1 VAL 61 -0.626 -10.246 -4.257 473 HG21 VAL 61 3HG2 VAL 61 -4.180 -9.666 -5.389 474 HG22 VAL 61 1HG2 VAL 61 -4.092 -9.033 -3.745 475 HG23 VAL 61 2HG2 VAL 61 -4.875 -10.583 -4.053 476 H SER 62 H SER 62 -4.729 -11.670 -6.442 477 HA SER 62 HA SER 62 -3.710 -11.934 -9.028 478 HB2 SER 62 2HB SER 62 -6.154 -10.386 -8.115 479 HB3 SER 62 1HB SER 62 -5.810 -10.829 -9.786 480 HG SER 62 HG SER 62 -6.939 -12.534 -9.242 481 H ALA 63 H ALA 63 -3.392 -10.399 -10.730 482 HA ALA 63 HA ALA 63 -1.519 -8.430 -10.123 483 HB1 ALA 63 3HB ALA 63 -1.639 -7.784 -12.463 484 HB2 ALA 63 1HB ALA 63 -3.168 -8.648 -12.644 485 HB3 ALA 63 2HB ALA 63 -1.684 -9.540 -12.305 486 H ALA 64 H ALA 64 -4.997 -8.080 -10.725 487 HA ALA 64 HA ALA 64 -5.219 -5.358 -11.101 488 HB1 ALA 64 3HB ALA 64 -7.508 -5.537 -10.287 489 HB2 ALA 64 1HB ALA 64 -7.136 -7.087 -9.535 490 HB3 ALA 64 2HB ALA 64 -7.096 -6.928 -11.291 491 H LYS 65 H LYS 65 -4.656 -7.051 -8.076 492 HA LYS 65 HA LYS 65 -5.311 -4.932 -6.312 493 HB2 LYS 65 2HB LYS 65 -4.933 -7.461 -5.835 494 HB3 LYS 65 1HB LYS 65 -3.239 -7.029 -5.681 495 HG2 LYS 65 2HG LYS 65 -5.417 -5.715 -4.066 496 HG3 LYS 65 1HG LYS 65 -4.584 -7.173 -3.541 497 HD2 LYS 65 2HD LYS 65 -3.197 -4.560 -4.170 498 HD3 LYS 65 1HD LYS 65 -3.711 -5.038 -2.556 499 HE2 LYS 65 2HE LYS 65 -1.406 -5.568 -2.709 500 HE3 LYS 65 1HE LYS 65 -2.268 -7.099 -2.830 501 HZ1 LYS 65 3HZ LYS 65 -0.439 -6.881 -4.435 502 HZ2 LYS 65 1HZ LYS 65 -1.223 -5.560 -5.145 503 HZ3 LYS 65 2HZ LYS 65 -1.935 -7.093 -5.196 504 H CYS 66 H CYS 66 -2.278 -5.790 -7.960 505 HA CYS 66 HA CYS 66 -0.820 -3.675 -6.572 506 HB2 CYS 66 2HB CYS 66 1.126 -4.436 -7.881 507 HB3 CYS 66 1HB CYS 66 0.358 -5.763 -7.019 508 HG CYS 66 HG CYS 66 0.826 -5.331 -10.287 509 H GLN 67 H GLN 67 -2.152 -4.330 -9.762 510 HA GLN 67 HA GLN 67 -1.066 -2.107 -11.116 511 HB2 GLN 67 2HB GLN 67 -1.965 -3.951 -12.362 512 HB3 GLN 67 1HB GLN 67 -3.548 -3.754 -11.628 513 HG2 GLN 67 2HG GLN 67 -3.908 -1.691 -12.810 514 HG3 GLN 67 1HG GLN 67 -2.256 -1.711 -13.430 515 HE21 GLN 67 1HE2 GLN 67 -5.413 -3.198 -13.651 516 HE22 GLN 67 2HE2 GLN 67 -5.140 -3.993 -15.163 517 H GLU 68 H GLU 68 -4.377 -2.517 -9.803 518 HA GLU 68 HA GLU 68 -5.140 0.173 -10.331 519 HB2 GLU 68 2HB GLU 68 -6.775 -1.635 -10.211 520 HB3 GLU 68 1HB GLU 68 -6.384 -1.910 -8.521 521 HG2 GLU 68 2HG GLU 68 -8.482 -0.696 -8.770 522 HG3 GLU 68 1HG GLU 68 -7.274 0.274 -7.931 523 H PHE 69 H PHE 69 -4.678 -1.449 -7.158 524 HA PHE 69 HA PHE 69 -4.800 0.872 -5.607 525 HB2 PHE 69 2HB PHE 69 -4.927 -1.488 -4.762 526 HB3 PHE 69 1HB PHE 69 -3.183 -1.604 -4.957 527 HD1 PHE 69 HD1 PHE 69 -5.891 0.074 -3.093 528 HD2 PHE 69 HD2 PHE 69 -1.698 -0.653 -3.345 529 HE1 PHE 69 HE1 PHE 69 -5.594 1.013 -0.839 530 HE2 PHE 69 HE2 PHE 69 -1.401 0.286 -1.090 531 HZ PHE 69 HZ PHE 69 -3.349 1.120 0.164 532 H GLY 70 H GLY 70 -2.039 -0.639 -7.221 533 HA2 GLY 70 2HA GLY 70 0.015 0.992 -6.207 534 HA3 GLY 70 1HA GLY 70 0.032 0.187 -7.769 535 H ARG 71 H ARG 71 -2.194 1.495 -8.945 536 HA ARG 71 HA ARG 71 -1.082 3.907 -9.904 537 HB2 ARG 71 2HB ARG 71 -2.776 2.543 -11.118 538 HB3 ARG 71 1HB ARG 71 -3.987 3.039 -9.943 539 HG2 ARG 71 2HG ARG 71 -3.508 5.427 -10.647 540 HG3 ARG 71 1HG ARG 71 -2.568 4.749 -11.978 541 HD2 ARG 71 2HD ARG 71 -5.518 4.434 -11.440 542 HD3 ARG 71 1HD ARG 71 -4.744 5.208 -12.822 543 HE ARG 71 HE ARG 71 -3.871 2.866 -13.299 544 HH11 ARG 71 1HH1 ARG 71 -6.905 3.520 -11.827 545 HH12 ARG 71 2HH1 ARG 71 -7.596 2.016 -12.318 546 HH21 ARG 71 1HH2 ARG 71 -4.755 0.954 -13.953 547 HH22 ARG 71 2HH2 ARG 71 -6.393 0.580 -13.541 548 H TRP 72 H TRP 72 -3.487 3.232 -7.408 549 HA TRP 72 HA TRP 72 -4.292 5.829 -6.768 550 HB2 TRP 72 2HB TRP 72 -5.474 3.922 -5.890 551 HB3 TRP 72 1HB TRP 72 -4.038 3.346 -5.056 552 HD1 TRP 72 HD TRP 72 -6.619 6.220 -4.854 553 HE1 TRP 72 HE1 TRP 72 -6.716 7.023 -2.416 554 HE3 TRP 72 HE3 TRP 72 -2.845 3.374 -2.900 555 HZ2 TRP 72 HZ2 TRP 72 -5.378 6.522 0.018 556 HZ3 TRP 72 HZ3 TRP 72 -2.316 3.597 -0.505 557 HH2 TRP 72 HH TRP 72 -3.558 5.140 0.921 558 H TYR 73 H TYR 73 -1.788 3.881 -5.084 559 HA TYR 73 HA TYR 73 -0.856 5.986 -3.460 560 HB2 TYR 73 2HB TYR 73 -0.385 3.619 -2.969 561 HB3 TYR 73 1HB TYR 73 0.644 3.521 -4.395 562 HD1 TYR 73 HD1 TYR 73 0.286 5.430 -1.198 563 HD2 TYR 73 HD2 TYR 73 2.943 3.902 -4.158 564 HE1 TYR 73 HE1 TYR 73 2.208 6.161 0.151 565 HE2 TYR 73 HE2 TYR 73 4.867 4.628 -2.812 566 HH TYR 73 HH TYR 73 4.601 5.609 0.418 567 H LYS 74 H LYS 74 0.256 4.828 -6.621 568 HA LYS 74 HA LYS 74 2.477 6.492 -6.959 569 HB2 LYS 74 2HB LYS 74 2.081 4.647 -8.441 570 HB3 LYS 74 1HB LYS 74 0.546 5.323 -8.965 571 HG2 LYS 74 2HG LYS 74 1.611 7.024 -10.222 572 HG3 LYS 74 1HG LYS 74 3.175 6.705 -9.467 573 HD2 LYS 74 2HD LYS 74 2.982 5.807 -11.788 574 HD3 LYS 74 1HD LYS 74 3.348 4.576 -10.579 575 HE2 LYS 74 2HE LYS 74 0.917 4.007 -10.516 576 HE3 LYS 74 1HE LYS 74 0.664 5.132 -11.851 577 HZ1 LYS 74 3HZ LYS 74 0.902 2.808 -12.569 578 HZ2 LYS 74 1HZ LYS 74 2.476 2.783 -11.947 579 HZ3 LYS 74 2HZ LYS 74 2.088 3.812 -13.231 580 H HIS 75 H HIS 75 -0.945 7.108 -7.626 581 HA HIS 75 HA HIS 75 -0.672 9.606 -8.882 582 HB2 HIS 75 2HB HIS 75 -2.769 8.269 -8.842 583 HB3 HIS 75 1HB HIS 75 -2.959 8.646 -7.134 584 HD1 HIS 75 HD1 HIS 75 -4.440 10.576 -6.680 585 HD2 HIS 75 HD2 HIS 75 -2.748 10.791 -10.471 586 HE1 HIS 75 HE1 HIS 75 -5.438 12.613 -7.744 587 HE2 HIS 75 HE2 HIS 75 -4.554 12.606 -10.098 588 H PHE 76 H PHE 76 -0.915 8.733 -5.457 589 HA PHE 76 HA PHE 76 -0.948 11.388 -4.447 590 HB2 PHE 76 2HB PHE 76 -1.658 9.460 -3.093 591 HB3 PHE 76 1HB PHE 76 -0.012 8.835 -3.101 592 HD1 PHE 76 HD2 PHE 76 -2.138 11.638 -1.927 593 HD2 PHE 76 HD1 PHE 76 1.591 9.611 -1.535 594 HE1 PHE 76 HE2 PHE 76 -1.642 12.944 0.097 595 HE2 PHE 76 HE1 PHE 76 2.088 10.916 0.491 596 HZ PHE 76 HZ PHE 76 0.471 12.586 1.310 597 H LYS 77 H LYS 77 1.673 9.111 -5.142 598 HA LYS 77 HA LYS 77 3.836 10.477 -4.035 599 HB2 LYS 77 2HB LYS 77 3.746 8.815 -6.564 600 HB3 LYS 77 1HB LYS 77 5.219 9.297 -5.740 601 HG2 LYS 77 2HG LYS 77 3.122 7.714 -4.294 602 HG3 LYS 77 1HG LYS 77 4.261 6.920 -5.378 603 HD2 LYS 77 2HD LYS 77 5.303 6.729 -3.310 604 HD3 LYS 77 1HD LYS 77 6.085 8.146 -4.005 605 HE2 LYS 77 2HE LYS 77 4.776 9.619 -2.651 606 HE3 LYS 77 1HE LYS 77 3.734 8.300 -2.119 607 HZ1 LYS 77 3HZ LYS 77 5.336 8.875 -0.418 608 HZ2 LYS 77 1HZ LYS 77 6.622 8.589 -1.474 609 HZ3 LYS 77 2HZ LYS 77 5.627 7.313 -0.980 610 H LYS 78 H LYS 78 2.388 10.849 -7.268 611 HA LYS 78 HA LYS 78 4.288 12.901 -8.002 612 HB2 LYS 78 2HB LYS 78 1.869 11.779 -9.420 613 HB3 LYS 78 1HB LYS 78 2.861 13.072 -10.084 614 HG2 LYS 78 2HG LYS 78 3.771 10.270 -9.425 615 HG3 LYS 78 1HG LYS 78 3.542 10.958 -11.035 616 HD2 LYS 78 2HD LYS 78 5.329 12.572 -10.620 617 HD3 LYS 78 1HD LYS 78 5.536 11.950 -8.982 618 HE2 LYS 78 2HE LYS 78 7.263 11.055 -10.410 619 HE3 LYS 78 1HE LYS 78 6.169 9.757 -9.930 620 HZ1 LYS 78 3HZ LYS 78 5.234 9.670 -12.041 621 HZ2 LYS 78 1HZ LYS 78 6.880 9.886 -12.353 622 HZ3 LYS 78 2HZ LYS 78 5.817 11.192 -12.490 623 H THR 79 H THR 79 1.249 12.883 -6.398 624 HA THR 79 HA THR 79 0.882 15.762 -6.836 625 HB THR 79 HB THR 79 -1.162 15.554 -5.470 626 HG1 THR 79 HG1 THR 79 -0.119 13.524 -4.374 627 HG21 THR 79 3HG2 THR 79 -0.970 13.462 -7.648 628 HG22 THR 79 1HG2 THR 79 -1.335 15.173 -7.878 629 HG23 THR 79 2HG2 THR 79 -2.465 14.138 -7.004 630 H LYS 80 H LYS 80 3.160 15.737 -5.788 631 HA LYS 80 HA LYS 80 4.550 16.334 -4.109 632 HB2 LYS 80 2HB LYS 80 2.002 17.182 -2.722 633 HB3 LYS 80 1HB LYS 80 3.626 17.622 -2.212 634 HG2 LYS 80 2HG LYS 80 3.949 18.789 -4.372 635 HG3 LYS 80 1HG LYS 80 2.275 18.413 -4.790 636 HD2 LYS 80 2HD LYS 80 3.196 20.067 -2.428 637 HD3 LYS 80 1HD LYS 80 2.455 20.686 -3.907 638 HE2 LYS 80 2HE LYS 80 0.384 19.540 -3.400 639 HE3 LYS 80 1HE LYS 80 1.118 18.759 -2.000 640 HZ1 LYS 80 3HZ LYS 80 -0.220 20.629 -1.326 641 HZ2 LYS 80 1HZ LYS 80 0.661 21.675 -2.327 642 HZ3 LYS 80 2HZ LYS 80 1.407 20.945 -0.997 643 H ASP 81 H ASP 81 5.253 14.211 -3.665 644 HA ASP 81 HA ASP 81 3.934 12.578 -1.729 645 HB2 ASP 81 2HB ASP 81 5.967 11.168 -1.839 646 HB3 ASP 81 1HB ASP 81 5.301 11.530 -3.427 647 H MET 82 H MET 82 3.659 14.051 0.021 648 HA MET 82 HA MET 82 5.861 15.123 1.473 649 HB2 MET 82 2HB MET 82 4.236 15.619 3.220 650 HB3 MET 82 1HB MET 82 3.586 16.040 1.643 651 HG2 MET 82 2HG MET 82 1.809 15.042 2.777 652 HG3 MET 82 1HG MET 82 2.408 13.780 1.704 653 HE1 MET 82 3HE MET 82 4.049 15.042 5.060 654 HE2 MET 82 1HE MET 82 3.316 13.945 6.229 655 HE3 MET 82 2HE MET 82 2.318 15.132 5.391 656 H MET 83 H MET 83 4.619 11.997 1.205 657 HA MET 83 HA MET 83 6.627 10.984 3.031 658 HB2 MET 83 2HB MET 83 4.506 11.297 4.391 659 HB3 MET 83 1HB MET 83 3.746 10.097 3.358 660 HG2 MET 83 2HG MET 83 6.170 9.615 5.083 661 HG3 MET 83 1HG MET 83 4.517 9.188 5.513 662 HE1 MET 83 3HE MET 83 6.070 5.677 4.867 663 HE2 MET 83 1HE MET 83 5.131 6.678 5.974 664 HE3 MET 83 2HE MET 83 6.821 7.066 5.653 Start of MODEL 16 1 H1 MET 1 1H MET 1 12.360 8.159 7.383 2 H2 MET 1 2H MET 1 10.839 8.477 6.717 3 H3 MET 1 3H MET 1 11.299 6.885 7.038 4 HA MET 1 HA MET 1 10.889 8.999 9.074 5 HB2 MET 1 2HB MET 1 9.164 6.680 8.197 6 HB3 MET 1 1HB MET 1 8.927 7.519 9.725 7 HG2 MET 1 2HG MET 1 7.420 8.288 7.923 8 HG3 MET 1 1HG MET 1 8.425 9.571 8.599 9 HE1 MET 1 3HE MET 1 7.769 11.086 6.484 10 HE2 MET 1 1HE MET 1 6.814 9.762 5.817 11 HE3 MET 1 2HE MET 1 8.016 10.574 4.813 12 H GLY 2 H GLY 2 10.693 8.048 11.293 13 HA2 GLY 2 2HA GLY 2 11.512 6.781 13.029 14 HA3 GLY 2 1HA GLY 2 11.745 5.471 11.883 15 H HIS 3 H HIS 3 13.753 5.277 10.798 16 HA HIS 3 HA HIS 3 15.947 6.932 11.876 17 HB2 HIS 3 2HB HIS 3 15.816 3.928 11.654 18 HB3 HIS 3 1HB HIS 3 17.354 4.779 11.736 19 HD1 HIS 3 HD1 HIS 3 17.884 6.049 13.979 20 HD2 HIS 3 HD2 HIS 3 14.465 3.686 14.060 21 HE1 HIS 3 HE1 HIS 3 17.307 5.780 16.404 22 HE2 HIS 3 HE2 HIS 3 15.148 4.502 16.416 23 H HIS 4 H HIS 4 17.853 7.076 10.561 24 HA HIS 4 HA HIS 4 17.208 7.216 7.739 25 HB2 HIS 4 2HB HIS 4 18.429 9.050 8.863 26 HB3 HIS 4 1HB HIS 4 19.763 7.951 9.196 27 HD1 HIS 4 HD1 HIS 4 21.571 7.941 7.505 28 HD2 HIS 4 HD2 HIS 4 17.997 9.360 5.936 29 HE1 HIS 4 HE1 HIS 4 22.108 8.670 5.168 30 HE2 HIS 4 HE2 HIS 4 19.987 9.723 4.328 31 H HIS 5 H HIS 5 16.995 4.935 7.370 32 HA HIS 5 HA HIS 5 19.200 3.148 7.770 33 HB2 HIS 5 2HB HIS 5 17.778 1.485 6.612 34 HB3 HIS 5 1HB HIS 5 16.927 2.305 7.917 35 HD1 HIS 5 HD1 HIS 5 16.932 1.857 4.218 36 HD2 HIS 5 HD2 HIS 5 14.810 3.984 7.087 37 HE1 HIS 5 HE1 HIS 5 14.900 2.730 3.039 38 HE2 HIS 5 HE2 HIS 5 13.590 3.947 4.806 39 H HIS 6 H HIS 6 20.453 2.077 6.208 40 HA HIS 6 HA HIS 6 20.890 3.655 3.754 41 HB2 HIS 6 2HB HIS 6 23.164 2.536 3.763 42 HB3 HIS 6 1HB HIS 6 22.853 3.634 5.103 43 HD1 HIS 6 HD1 HIS 6 23.023 -0.084 4.359 44 HD2 HIS 6 HD2 HIS 6 23.122 2.513 7.602 45 HE1 HIS 6 HE1 HIS 6 23.605 -1.502 6.342 46 HE2 HIS 6 HE2 HIS 6 23.492 0.055 8.306 47 H HIS 7 H HIS 7 20.477 2.795 1.792 48 HA HIS 7 HA HIS 7 20.747 0.058 1.114 49 HB2 HIS 7 2HB HIS 7 18.278 0.727 2.414 50 HB3 HIS 7 1HB HIS 7 17.924 0.329 0.738 51 HD1 HIS 7 HD1 HIS 7 19.685 -1.186 3.750 52 HD2 HIS 7 HD2 HIS 7 17.809 -2.348 0.229 53 HE1 HIS 7 HE1 HIS 7 19.535 -3.686 3.860 54 HE2 HIS 7 HE2 HIS 7 18.198 -4.332 1.834 55 H HIS 8 H HIS 8 18.906 3.017 0.328 56 HA HIS 8 HA HIS 8 18.512 4.118 -1.628 57 HB2 HIS 8 2HB HIS 8 20.544 2.206 -2.824 58 HB3 HIS 8 1HB HIS 8 19.816 3.554 -3.688 59 HD1 HIS 8 HD1 HIS 8 22.510 2.713 -1.309 60 HD2 HIS 8 HD2 HIS 8 20.670 6.131 -2.787 61 HE1 HIS 8 HE1 HIS 8 24.040 4.606 -0.715 62 HE2 HIS 8 HE2 HIS 8 23.010 6.630 -1.802 63 H SER 9 H SER 9 16.712 2.321 -0.791 64 HA SER 9 HA SER 9 15.966 0.442 -2.857 65 HB2 SER 9 2HB SER 9 13.973 0.046 -1.358 66 HB3 SER 9 1HB SER 9 15.537 -0.208 -0.583 67 HG SER 9 HG SER 9 13.857 1.102 0.566 68 H HIS 10 H HIS 10 14.728 0.878 -4.582 69 HA HIS 10 HA HIS 10 13.477 3.476 -4.852 70 HB2 HIS 10 2HB HIS 10 13.776 1.130 -6.731 71 HB3 HIS 10 1HB HIS 10 12.844 2.564 -7.154 72 HD1 HIS 10 HD1 HIS 10 14.129 4.280 -8.371 73 HD2 HIS 10 HD2 HIS 10 16.597 1.921 -6.002 74 HE1 HIS 10 HE1 HIS 10 16.462 5.078 -8.831 75 HE2 HIS 10 HE2 HIS 10 17.942 3.547 -7.499 76 H MET 11 H MET 11 12.101 2.607 -2.862 77 HA MET 11 HA MET 11 9.582 1.506 -3.931 78 HB2 MET 11 2HB MET 11 8.962 1.184 -1.520 79 HB3 MET 11 1HB MET 11 10.340 0.239 -2.061 80 HG2 MET 11 2HG MET 11 11.849 1.896 -1.031 81 HG3 MET 11 1HG MET 11 10.440 2.763 -0.422 82 HE1 MET 11 3HE MET 11 11.461 -1.565 0.843 83 HE2 MET 11 1HE MET 11 12.408 -0.657 -0.335 84 HE3 MET 11 2HE MET 11 10.758 -1.145 -0.721 85 H LEU 12 H LEU 12 11.026 4.426 -2.947 86 HA LEU 12 HA LEU 12 8.501 5.782 -2.485 87 HB2 LEU 12 2HB LEU 12 11.321 6.847 -2.747 88 HB3 LEU 12 1HB LEU 12 9.919 7.870 -2.498 89 HG LEU 12 HG LEU 12 9.504 6.601 -0.340 90 HD11 LEU 12 1HD1 LEU 12 10.820 4.610 -0.835 91 HD12 LEU 12 2HD1 LEU 12 11.377 5.389 0.642 92 HD13 LEU 12 3HD1 LEU 12 12.296 5.576 -0.852 93 HD21 LEU 12 3HD2 LEU 12 11.203 7.844 0.906 94 HD22 LEU 12 1HD2 LEU 12 10.489 8.829 -0.370 95 HD23 LEU 12 2HD2 LEU 12 12.095 8.132 -0.588 96 HA PRO 13 HA PRO 13 9.113 6.913 -7.069 97 HB2 PRO 13 2HB PRO 13 11.292 6.189 -8.436 98 HB3 PRO 13 1HB PRO 13 11.311 7.620 -7.399 99 HG2 PRO 13 2HG PRO 13 12.413 4.887 -6.876 100 HG3 PRO 13 1HG PRO 13 13.109 6.469 -6.482 101 HD2 PRO 13 2HD PRO 13 11.707 4.851 -4.702 102 HD3 PRO 13 1HD PRO 13 11.971 6.593 -4.507 103 HA PRO 14 HA PRO 14 7.428 2.843 -7.843 104 HB2 PRO 14 2HB PRO 14 6.263 3.327 -10.283 105 HB3 PRO 14 1HB PRO 14 5.569 3.828 -8.737 106 HG2 PRO 14 2HG PRO 14 7.179 5.436 -10.695 107 HG3 PRO 14 1HG PRO 14 5.717 5.897 -9.804 108 HD2 PRO 14 2HD PRO 14 8.169 6.695 -9.013 109 HD3 PRO 14 1HD PRO 14 6.890 6.314 -7.842 110 H GLU 15 H GLU 15 9.584 1.855 -8.071 111 HA GLU 15 HA GLU 15 10.456 1.406 -10.828 112 HB2 GLU 15 2HB GLU 15 12.223 1.800 -9.208 113 HB3 GLU 15 1HB GLU 15 11.640 0.478 -8.201 114 HG2 GLU 15 2HG GLU 15 12.174 -1.113 -9.995 115 HG3 GLU 15 1HG GLU 15 12.774 0.215 -10.986 116 H GLN 16 H GLN 16 9.980 -0.821 -8.059 117 HA GLN 16 HA GLN 16 8.628 -2.701 -9.874 118 HB2 GLN 16 2HB GLN 16 11.014 -3.299 -9.818 119 HB3 GLN 16 1HB GLN 16 10.950 -3.410 -8.064 120 HG2 GLN 16 2HG GLN 16 9.375 -5.275 -8.227 121 HG3 GLN 16 1HG GLN 16 9.412 -5.157 -9.986 122 HE21 GLN 16 1HE2 GLN 16 11.293 -5.788 -11.083 123 HE22 GLN 16 2HE2 GLN 16 12.489 -6.784 -10.336 124 H TRP 17 H TRP 17 6.731 -3.173 -9.008 125 HA TRP 17 HA TRP 17 6.582 -3.860 -6.140 126 HB2 TRP 17 2HB TRP 17 4.534 -2.362 -7.800 127 HB3 TRP 17 1HB TRP 17 4.178 -3.064 -6.225 128 HD1 TRP 17 HD TRP 17 6.471 -0.349 -7.783 129 HE1 TRP 17 HE1 TRP 17 6.926 1.429 -5.978 130 HE3 TRP 17 HE3 TRP 17 4.131 -2.583 -3.822 131 HZ2 TRP 17 HZ2 TRP 17 6.366 1.838 -3.246 132 HZ3 TRP 17 HZ3 TRP 17 4.137 -1.431 -1.645 133 HH2 TRP 17 HH TRP 17 5.233 0.733 -1.368 134 H SER 18 H SER 18 6.176 -5.976 -5.910 135 HA SER 18 HA SER 18 4.916 -7.475 -8.096 136 HB2 SER 18 2HB SER 18 7.020 -8.347 -7.162 137 HB3 SER 18 1HB SER 18 6.285 -8.444 -5.563 138 HG SER 18 HG SER 18 6.251 -10.462 -6.593 139 H HIS 19 H HIS 19 3.676 -9.557 -6.944 140 HA HIS 19 HA HIS 19 1.156 -8.597 -6.217 141 HB2 HIS 19 2HB HIS 19 2.433 -11.302 -5.798 142 HB3 HIS 19 1HB HIS 19 0.768 -10.974 -5.342 143 HD1 HIS 19 HD1 HIS 19 -0.335 -12.490 -7.013 144 HD2 HIS 19 HD2 HIS 19 2.269 -9.773 -8.786 145 HE1 HIS 19 HE1 HIS 19 -0.729 -12.687 -9.485 146 HE2 HIS 19 HE2 HIS 19 1.006 -11.202 -10.533 147 H THR 20 H THR 20 3.499 -10.206 -4.055 148 HA THR 20 HA THR 20 1.998 -9.633 -1.695 149 HB THR 20 HB THR 20 4.876 -10.551 -1.899 150 HG1 THR 20 HG1 THR 20 3.975 -12.641 -1.778 151 HG21 THR 20 3HG2 THR 20 4.241 -9.724 0.339 152 HG22 THR 20 1HG2 THR 20 4.510 -11.469 0.341 153 HG23 THR 20 2HG2 THR 20 2.868 -10.830 0.349 154 H THR 21 H THR 21 4.559 -7.949 -3.362 155 HA THR 21 HA THR 21 5.886 -6.591 -1.374 156 HB THR 21 HB THR 21 5.102 -5.330 -4.012 157 HG1 THR 21 HG1 THR 21 7.380 -6.964 -3.465 158 HG21 THR 21 3HG2 THR 21 6.184 -3.796 -2.427 159 HG22 THR 21 1HG2 THR 21 7.240 -4.148 -3.796 160 HG23 THR 21 2HG2 THR 21 7.522 -4.931 -2.241 161 H VAL 22 H VAL 22 2.821 -5.635 -2.882 162 HA VAL 22 HA VAL 22 2.553 -3.116 -1.651 163 HB VAL 22 HB VAL 22 0.372 -4.961 -2.652 164 HG11 VAL 22 1HG1 VAL 22 -0.989 -2.934 -2.874 165 HG12 VAL 22 2HG1 VAL 22 0.306 -1.982 -2.150 166 HG13 VAL 22 3HG1 VAL 22 -0.523 -3.212 -1.196 167 HG21 VAL 22 3HG2 VAL 22 2.033 -4.467 -4.378 168 HG22 VAL 22 1HG2 VAL 22 1.855 -2.739 -4.073 169 HG23 VAL 22 2HG2 VAL 22 0.505 -3.664 -4.732 170 H ARG 23 H ARG 23 1.864 -6.329 -0.454 171 HA ARG 23 HA ARG 23 -0.035 -5.741 1.533 172 HB2 ARG 23 2HB ARG 23 0.503 -8.022 0.772 173 HB3 ARG 23 1HB ARG 23 2.086 -7.903 1.529 174 HG2 ARG 23 2HG ARG 23 1.018 -7.693 3.726 175 HG3 ARG 23 1HG ARG 23 -0.567 -7.823 2.962 176 HD2 ARG 23 2HD ARG 23 0.073 -10.063 2.112 177 HD3 ARG 23 1HD ARG 23 1.598 -9.927 2.992 178 HE ARG 23 HE ARG 23 -0.552 -9.510 4.755 179 HH11 ARG 23 1HH1 ARG 23 0.902 -12.042 2.939 180 HH12 ARG 23 2HH1 ARG 23 0.411 -13.271 4.049 181 HH21 ARG 23 1HH2 ARG 23 -1.199 -11.095 6.170 182 HH22 ARG 23 2HH2 ARG 23 -0.769 -12.738 5.856 183 H ASN 24 H ASN 24 3.446 -5.394 1.504 184 HA ASN 24 HA ASN 24 4.018 -5.210 4.228 185 HB2 ASN 24 2HB ASN 24 5.304 -3.646 1.971 186 HB3 ASN 24 1HB ASN 24 6.008 -3.937 3.560 187 HD21 ASN 24 1HD2 ASN 24 6.920 -4.671 0.852 188 HD22 ASN 24 2HD2 ASN 24 7.166 -6.379 0.900 189 H ALA 25 H ALA 25 2.790 -2.736 2.013 190 HA ALA 25 HA ALA 25 3.060 -0.521 3.761 191 HB1 ALA 25 3HB ALA 25 1.564 0.641 2.218 192 HB2 ALA 25 1HB ALA 25 1.139 -0.896 1.459 193 HB3 ALA 25 2HB ALA 25 2.786 -0.277 1.338 194 H LEU 26 H LEU 26 0.362 -2.745 3.145 195 HA LEU 26 HA LEU 26 -1.593 -1.409 4.649 196 HB2 LEU 26 2HB LEU 26 -1.316 -4.358 4.057 197 HB3 LEU 26 1HB LEU 26 -2.751 -3.613 4.734 198 HG LEU 26 HG LEU 26 -1.592 -3.076 1.992 199 HD11 LEU 26 1HD1 LEU 26 -3.652 -4.117 1.179 200 HD12 LEU 26 2HD1 LEU 26 -4.133 -4.467 2.840 201 HD13 LEU 26 3HD1 LEU 26 -2.700 -5.235 2.155 202 HD21 LEU 26 3HD2 LEU 26 -4.052 -1.920 3.317 203 HD22 LEU 26 1HD2 LEU 26 -3.592 -1.692 1.628 204 HD23 LEU 26 2HD2 LEU 26 -2.574 -1.044 2.913 205 H LYS 27 H LYS 27 0.863 -3.756 5.667 206 HA LYS 27 HA LYS 27 -0.092 -4.145 8.297 207 HB2 LYS 27 2HB LYS 27 2.629 -4.451 7.046 208 HB3 LYS 27 1HB LYS 27 2.392 -4.707 8.770 209 HG2 LYS 27 2HG LYS 27 1.071 -6.232 6.523 210 HG3 LYS 27 1HG LYS 27 2.319 -6.822 7.626 211 HD2 LYS 27 2HD LYS 27 0.662 -6.300 9.512 212 HD3 LYS 27 1HD LYS 27 -0.555 -6.144 8.243 213 HE2 LYS 27 2HE LYS 27 -0.686 -8.373 9.091 214 HE3 LYS 27 1HE LYS 27 0.061 -8.464 7.497 215 HZ1 LYS 27 3HZ LYS 27 1.460 -8.589 10.112 216 HZ2 LYS 27 1HZ LYS 27 2.239 -8.549 8.611 217 HZ3 LYS 27 2HZ LYS 27 1.252 -9.859 9.015 218 H ASP 28 H ASP 28 1.751 -1.535 6.879 219 HA ASP 28 HA ASP 28 2.403 -0.364 9.458 220 HB2 ASP 28 2HB ASP 28 2.662 0.847 6.691 221 HB3 ASP 28 1HB ASP 28 3.398 1.452 8.172 222 H LEU 29 H LEU 29 0.233 0.368 6.737 223 HA LEU 29 HA LEU 29 -0.830 2.766 7.770 224 HB2 LEU 29 2HB LEU 29 -2.025 0.822 5.791 225 HB3 LEU 29 1HB LEU 29 -2.636 2.438 6.095 226 HG LEU 29 HG LEU 29 0.096 1.781 4.970 227 HD11 LEU 29 1HD1 LEU 29 -1.714 1.316 3.389 228 HD12 LEU 29 2HD1 LEU 29 -0.751 2.702 2.880 229 HD13 LEU 29 3HD1 LEU 29 -2.336 2.953 3.614 230 HD21 LEU 29 3HD2 LEU 29 0.290 4.193 4.588 231 HD22 LEU 29 1HD2 LEU 29 0.137 3.820 6.304 232 HD23 LEU 29 2HD2 LEU 29 -1.248 4.450 5.413 233 H LEU 30 H LEU 30 -1.931 -0.590 8.104 234 HA LEU 30 HA LEU 30 -4.445 -0.002 9.270 235 HB2 LEU 30 2HB LEU 30 -3.777 -2.191 8.265 236 HB3 LEU 30 1HB LEU 30 -2.762 -2.482 9.666 237 HG LEU 30 HG LEU 30 -4.764 -2.465 11.117 238 HD11 LEU 30 1HD1 LEU 30 -6.196 -0.987 9.826 239 HD12 LEU 30 2HD1 LEU 30 -7.004 -2.528 10.106 240 HD13 LEU 30 3HD1 LEU 30 -6.298 -2.178 8.528 241 HD21 LEU 30 3HD2 LEU 30 -3.935 -4.580 10.218 242 HD22 LEU 30 1HD2 LEU 30 -4.954 -4.387 8.790 243 HD23 LEU 30 2HD2 LEU 30 -5.690 -4.605 10.379 244 H LYS 31 H LYS 31 -1.291 0.248 10.565 245 HA LYS 31 HA LYS 31 -2.188 0.089 13.352 246 HB2 LYS 31 2HB LYS 31 0.554 0.636 12.185 247 HB3 LYS 31 1HB LYS 31 0.202 0.477 13.900 248 HG2 LYS 31 2HG LYS 31 -0.134 -1.680 11.817 249 HG3 LYS 31 1HG LYS 31 1.171 -1.567 13.000 250 HD2 LYS 31 2HD LYS 31 -0.477 -1.789 14.824 251 HD3 LYS 31 1HD LYS 31 -1.772 -1.918 13.631 252 HE2 LYS 31 2HE LYS 31 -0.721 -3.960 12.738 253 HE3 LYS 31 1HE LYS 31 0.541 -3.837 13.965 254 HZ1 LYS 31 3HZ LYS 31 -1.169 -5.397 14.628 255 HZ2 LYS 31 1HZ LYS 31 -2.361 -4.208 14.480 256 HZ3 LYS 31 2HZ LYS 31 -1.170 -4.066 15.671 257 H ASP 32 H ASP 32 -2.641 2.319 11.138 258 HA ASP 32 HA ASP 32 -2.305 4.569 13.011 259 HB2 ASP 32 2HB ASP 32 -0.423 4.627 11.414 260 HB3 ASP 32 1HB ASP 32 -1.560 4.635 10.069 261 H MET 33 H MET 33 -3.594 3.845 9.759 262 HA MET 33 HA MET 33 -5.866 5.626 10.250 263 HB2 MET 33 2HB MET 33 -4.642 5.924 8.162 264 HB3 MET 33 1HB MET 33 -4.906 4.240 7.733 265 HG2 MET 33 2HG MET 33 -6.384 5.787 6.517 266 HG3 MET 33 1HG MET 33 -7.271 4.617 7.493 267 HE1 MET 33 3HE MET 33 -5.389 7.863 8.759 268 HE2 MET 33 1HE MET 33 -6.696 9.045 8.686 269 HE3 MET 33 2HE MET 33 -6.058 8.343 7.199 270 H ASN 34 H ASN 34 -8.050 4.962 9.912 271 HA ASN 34 HA ASN 34 -8.644 2.284 10.772 272 HB2 ASN 34 2HB ASN 34 -9.992 4.304 11.404 273 HB3 ASN 34 1HB ASN 34 -10.567 4.389 9.742 274 HD21 ASN 34 1HD2 ASN 34 -10.748 2.703 12.748 275 HD22 ASN 34 2HD2 ASN 34 -12.104 1.710 12.347 276 H GLN 35 H GLN 35 -9.607 0.610 9.612 277 HA GLN 35 HA GLN 35 -8.762 0.178 7.010 278 HB2 GLN 35 2HB GLN 35 -9.385 -1.620 8.524 279 HB3 GLN 35 1HB GLN 35 -11.065 -1.109 8.486 280 HG2 GLN 35 2HG GLN 35 -11.207 -1.687 6.121 281 HG3 GLN 35 1HG GLN 35 -9.507 -2.157 6.127 282 HE21 GLN 35 1HE2 GLN 35 -10.056 -4.258 5.483 283 HE22 GLN 35 2HE2 GLN 35 -10.753 -5.390 6.582 284 H SER 36 H SER 36 -12.056 1.128 8.062 285 HA SER 36 HA SER 36 -13.187 1.212 5.476 286 HB2 SER 36 2HB SER 36 -14.601 1.156 7.461 287 HB3 SER 36 1HB SER 36 -14.002 2.735 7.964 288 HG SER 36 HG SER 36 -15.334 2.299 5.493 289 H SER 37 H SER 37 -11.594 3.746 7.394 290 HA SER 37 HA SER 37 -12.021 5.843 5.516 291 HB2 SER 37 2HB SER 37 -9.916 5.534 7.675 292 HB3 SER 37 1HB SER 37 -10.176 7.011 6.749 293 HG SER 37 HG SER 37 -12.233 5.752 8.246 294 H LEU 38 H LEU 38 -9.582 3.343 5.792 295 HA LEU 38 HA LEU 38 -7.694 4.479 3.981 296 HB2 LEU 38 2HB LEU 38 -7.367 2.608 5.738 297 HB3 LEU 38 1HB LEU 38 -8.025 1.525 4.531 298 HG LEU 38 HG LEU 38 -5.535 1.517 4.664 299 HD11 LEU 38 1HD1 LEU 38 -5.110 1.554 2.284 300 HD12 LEU 38 2HD1 LEU 38 -6.588 2.476 2.007 301 HD13 LEU 38 3HD1 LEU 38 -6.682 0.820 2.604 302 HD21 LEU 38 3HD2 LEU 38 -5.180 3.866 5.191 303 HD22 LEU 38 1HD2 LEU 38 -5.776 4.330 3.594 304 HD23 LEU 38 2HD2 LEU 38 -4.281 3.407 3.745 305 H ALA 39 H ALA 39 -10.285 2.058 3.608 306 HA ALA 39 HA ALA 39 -9.886 1.606 0.826 307 HB1 ALA 39 3HB ALA 39 -12.018 0.429 0.903 308 HB2 ALA 39 1HB ALA 39 -12.352 1.111 2.496 309 HB3 ALA 39 2HB ALA 39 -11.009 -0.011 2.282 310 H LYS 40 H LYS 40 -10.958 4.359 2.302 311 HA LYS 40 HA LYS 40 -13.035 5.182 0.528 312 HB2 LYS 40 2HB LYS 40 -12.670 6.129 2.803 313 HB3 LYS 40 1HB LYS 40 -11.191 6.881 2.224 314 HG2 LYS 40 2HG LYS 40 -12.484 8.232 0.647 315 HG3 LYS 40 1HG LYS 40 -13.973 7.469 1.211 316 HD2 LYS 40 2HD LYS 40 -12.093 9.185 2.847 317 HD3 LYS 40 1HD LYS 40 -13.696 9.643 2.269 318 HE2 LYS 40 2HE LYS 40 -14.676 7.828 3.641 319 HE3 LYS 40 1HE LYS 40 -13.065 7.446 4.249 320 HZ1 LYS 40 3HZ LYS 40 -12.949 9.693 5.172 321 HZ2 LYS 40 1HZ LYS 40 -14.248 8.819 5.812 322 HZ3 LYS 40 2HZ LYS 40 -14.525 10.003 4.636 323 H GLU 41 H GLU 41 -9.577 6.066 0.757 324 HA GLU 41 HA GLU 41 -9.624 7.225 -1.908 325 HB2 GLU 41 2HB GLU 41 -7.541 6.984 0.243 326 HB3 GLU 41 1HB GLU 41 -7.073 7.414 -1.395 327 HG2 GLU 41 2HG GLU 41 -9.047 8.922 0.311 328 HG3 GLU 41 1HG GLU 41 -7.363 9.373 0.042 329 H CYS 42 H CYS 42 -8.402 4.309 -0.328 330 HA CYS 42 HA CYS 42 -6.913 3.426 -2.629 331 HB2 CYS 42 2HB CYS 42 -6.213 2.740 -0.389 332 HB3 CYS 42 1HB CYS 42 -7.751 1.918 -0.136 333 HG CYS 42 HG CYS 42 -5.935 -0.087 -0.536 334 HA PRO 43 HA PRO 43 -10.340 1.593 -4.845 335 HB2 PRO 43 2HB PRO 43 -8.901 0.014 -6.543 336 HB3 PRO 43 1HB PRO 43 -9.052 1.765 -6.742 337 HG2 PRO 43 2HG PRO 43 -6.816 0.191 -5.503 338 HG3 PRO 43 1HG PRO 43 -6.730 1.545 -6.647 339 HD2 PRO 43 2HD PRO 43 -6.330 1.897 -4.003 340 HD3 PRO 43 1HD PRO 43 -7.130 3.131 -4.999 341 H LEU 44 H LEU 44 -8.085 -0.133 -2.918 342 HA LEU 44 HA LEU 44 -9.274 -2.739 -3.258 343 HB2 LEU 44 2HB LEU 44 -7.379 -1.729 -1.128 344 HB3 LEU 44 1HB LEU 44 -7.805 -3.410 -1.402 345 HG LEU 44 HG LEU 44 -6.296 -1.633 -3.333 346 HD11 LEU 44 1HD1 LEU 44 -4.381 -3.056 -2.831 347 HD12 LEU 44 2HD1 LEU 44 -5.343 -3.954 -1.654 348 HD13 LEU 44 3HD1 LEU 44 -4.972 -2.251 -1.377 349 HD21 LEU 44 3HD2 LEU 44 -7.004 -4.565 -3.533 350 HD22 LEU 44 1HD2 LEU 44 -5.973 -3.672 -4.653 351 HD23 LEU 44 2HD2 LEU 44 -7.682 -3.263 -4.512 352 H SER 45 H SER 45 -11.335 -2.959 -2.612 353 HA SER 45 HA SER 45 -12.625 -1.464 -0.617 354 HB2 SER 45 2HB SER 45 -13.383 -4.191 -1.709 355 HB3 SER 45 1HB SER 45 -14.456 -3.092 -0.839 356 HG SER 45 HG SER 45 -14.348 -3.123 -3.322 357 H GLN 46 H GLN 46 -13.629 -2.293 1.372 358 HA GLN 46 HA GLN 46 -11.802 -2.919 3.305 359 HB2 GLN 46 2HB GLN 46 -14.048 -2.021 3.741 360 HB3 GLN 46 1HB GLN 46 -14.756 -3.580 3.340 361 HG2 GLN 46 2HG GLN 46 -13.640 -4.596 5.257 362 HG3 GLN 46 1HG GLN 46 -12.879 -3.054 5.644 363 HE21 GLN 46 1HE2 GLN 46 -16.186 -3.402 4.533 364 HE22 GLN 46 2HE2 GLN 46 -16.925 -2.913 6.014 365 H SER 47 H SER 47 -13.931 -5.274 1.665 366 HA SER 47 HA SER 47 -13.242 -7.584 3.047 367 HB2 SER 47 2HB SER 47 -15.035 -7.516 1.357 368 HB3 SER 47 1HB SER 47 -13.832 -7.335 0.081 369 HG SER 47 HG SER 47 -13.743 -9.426 0.059 370 H MET 48 H MET 48 -11.584 -6.097 0.285 371 HA MET 48 HA MET 48 -9.624 -8.078 -0.108 372 HB2 MET 48 2HB MET 48 -9.489 -5.094 -0.618 373 HB3 MET 48 1HB MET 48 -8.305 -6.257 -1.198 374 HG2 MET 48 2HG MET 48 -11.224 -6.185 -1.944 375 HG3 MET 48 1HG MET 48 -9.875 -5.652 -2.948 376 HE1 MET 48 3HE MET 48 -10.491 -7.178 -4.990 377 HE2 MET 48 1HE MET 48 -11.953 -7.638 -4.118 378 HE3 MET 48 2HE MET 48 -10.929 -8.879 -4.838 379 H ILE 49 H ILE 49 -9.389 -4.991 1.682 380 HA ILE 49 HA ILE 49 -6.804 -5.246 2.644 381 HB ILE 49 HB ILE 49 -9.136 -3.968 4.097 382 HG12 ILE 49 2HG1 ILE 49 -7.168 -2.770 2.121 383 HG13 ILE 49 1HG1 ILE 49 -8.862 -3.118 1.796 384 HG21 ILE 49 1HG2 ILE 49 -7.221 -4.273 5.568 385 HG22 ILE 49 2HG2 ILE 49 -7.421 -2.566 5.175 386 HG23 ILE 49 3HG2 ILE 49 -6.162 -3.511 4.383 387 HD11 ILE 49 3HD1 ILE 49 -7.822 -1.128 3.800 388 HD12 ILE 49 1HD1 ILE 49 -9.522 -1.478 3.481 389 HD13 ILE 49 2HD1 ILE 49 -8.518 -0.758 2.222 390 H SER 50 H SER 50 -9.810 -6.369 4.225 391 HA SER 50 HA SER 50 -8.626 -7.338 6.590 392 HB2 SER 50 2HB SER 50 -11.048 -7.003 6.392 393 HB3 SER 50 1HB SER 50 -11.146 -8.312 5.213 394 HG SER 50 HG SER 50 -11.125 -8.443 7.918 395 H SER 51 H SER 51 -9.177 -8.920 3.475 396 HA SER 51 HA SER 51 -8.329 -11.516 4.343 397 HB2 SER 51 2HB SER 51 -8.721 -10.331 1.585 398 HB3 SER 51 1HB SER 51 -8.268 -12.014 1.862 399 HG SER 51 HG SER 51 -10.689 -10.704 2.332 400 H ILE 52 H ILE 52 -6.734 -8.882 2.571 401 HA ILE 52 HA ILE 52 -4.352 -10.242 1.952 402 HB ILE 52 HB ILE 52 -4.751 -7.268 2.372 403 HG12 ILE 52 2HG1 ILE 52 -4.820 -8.887 -0.193 404 HG13 ILE 52 1HG1 ILE 52 -6.248 -8.303 0.656 405 HG21 ILE 52 1HG2 ILE 52 -2.558 -8.749 0.905 406 HG22 ILE 52 2HG2 ILE 52 -2.384 -7.873 2.427 407 HG23 ILE 52 3HG2 ILE 52 -2.766 -6.999 0.943 408 HD11 ILE 52 3HD1 ILE 52 -5.518 -6.000 0.287 409 HD12 ILE 52 1HD1 ILE 52 -5.706 -6.881 -1.227 410 HD13 ILE 52 2HD1 ILE 52 -4.094 -6.592 -0.571 411 H VAL 53 H VAL 53 -5.191 -8.224 4.766 412 HA VAL 53 HA VAL 53 -2.596 -8.268 5.928 413 HB VAL 53 HB VAL 53 -5.285 -7.760 7.223 414 HG11 VAL 53 1HG1 VAL 53 -2.505 -7.216 8.286 415 HG12 VAL 53 2HG1 VAL 53 -3.664 -8.384 8.923 416 HG13 VAL 53 3HG1 VAL 53 -4.010 -6.659 9.025 417 HG21 VAL 53 3HG2 VAL 53 -4.763 -6.173 5.442 418 HG22 VAL 53 1HG2 VAL 53 -3.196 -5.837 6.179 419 HG23 VAL 53 2HG2 VAL 53 -4.681 -5.388 7.019 420 H ASN 54 H ASN 54 -5.554 -10.115 6.754 421 HA ASN 54 HA ASN 54 -4.127 -11.661 8.750 422 HB2 ASN 54 2HB ASN 54 -6.455 -10.910 9.117 423 HB3 ASN 54 1HB ASN 54 -6.980 -11.913 7.771 424 HD21 ASN 54 1HD2 ASN 54 -4.567 -12.810 10.185 425 HD22 ASN 54 2HD2 ASN 54 -5.499 -14.085 10.875 426 H SER 55 H SER 55 -4.868 -12.064 5.412 427 HA SER 55 HA SER 55 -4.521 -13.731 3.907 428 HB2 SER 55 2HB SER 55 -3.141 -15.189 6.184 429 HB3 SER 55 1HB SER 55 -3.118 -15.688 4.495 430 HG SER 55 HG SER 55 -1.730 -14.148 4.032 431 H THR 56 H THR 56 -4.998 -15.647 6.862 432 HA THR 56 HA THR 56 -6.235 -17.504 7.235 433 HB THR 56 HB THR 56 -7.643 -15.870 8.207 434 HG1 THR 56 HG1 THR 56 -9.655 -16.935 8.023 435 HG21 THR 56 3HG2 THR 56 -7.895 -14.321 6.318 436 HG22 THR 56 1HG2 THR 56 -9.453 -14.720 7.042 437 HG23 THR 56 2HG2 THR 56 -8.972 -15.468 5.519 438 H TYR 57 H TYR 57 -8.303 -16.321 4.504 439 HA TYR 57 HA TYR 57 -8.121 -19.078 3.426 440 HB2 TYR 57 2HB TYR 57 -10.491 -17.194 3.346 441 HB3 TYR 57 1HB TYR 57 -10.425 -18.765 2.559 442 HD1 TYR 57 HD2 TYR 57 -9.839 -20.790 4.162 443 HD2 TYR 57 HD1 TYR 57 -11.449 -17.066 5.468 444 HE1 TYR 57 HE2 TYR 57 -10.678 -21.869 6.205 445 HE2 TYR 57 HE1 TYR 57 -12.284 -18.142 7.511 446 HH TYR 57 HH TYR 57 -12.915 -20.407 8.271 447 H TYR 58 H TYR 58 -7.250 -15.946 2.728 448 HA TYR 58 HA TYR 58 -8.013 -15.895 -0.059 449 HB2 TYR 58 2HB TYR 58 -7.709 -13.907 1.654 450 HB3 TYR 58 1HB TYR 58 -6.038 -13.967 1.113 451 HD1 TYR 58 HD1 TYR 58 -9.528 -13.617 -0.083 452 HD2 TYR 58 HD2 TYR 58 -5.410 -12.931 -0.937 453 HE1 TYR 58 HE1 TYR 58 -10.163 -12.273 -2.029 454 HE2 TYR 58 HE2 TYR 58 -6.044 -11.582 -2.897 455 HH TYR 58 HH TYR 58 -7.887 -11.248 -4.392 456 H ALA 59 H ALA 59 -6.931 -17.098 -1.511 457 HA ALA 59 HA ALA 59 -4.119 -17.772 -1.052 458 HB1 ALA 59 3HB ALA 59 -4.407 -19.422 -2.816 459 HB2 ALA 59 1HB ALA 59 -6.026 -18.804 -3.152 460 HB3 ALA 59 2HB ALA 59 -5.678 -19.573 -1.603 461 H ASN 60 H ASN 60 -2.831 -16.118 -1.653 462 HA ASN 60 HA ASN 60 -1.508 -14.881 -3.010 463 HB2 ASN 60 2HB ASN 60 -1.637 -16.899 -4.503 464 HB3 ASN 60 1HB ASN 60 -2.958 -16.117 -5.357 465 HD21 ASN 60 1HD2 ASN 60 -0.363 -16.961 -6.334 466 HD22 ASN 60 2HD2 ASN 60 0.392 -15.554 -6.985 467 H VAL 61 H VAL 61 -1.700 -12.769 -3.164 468 HA VAL 61 HA VAL 61 -4.209 -11.503 -3.839 469 HB VAL 61 HB VAL 61 -2.918 -9.363 -3.499 470 HG11 VAL 61 1HG1 VAL 61 -4.209 -10.382 -1.693 471 HG12 VAL 61 2HG1 VAL 61 -2.742 -9.635 -1.063 472 HG13 VAL 61 3HG1 VAL 61 -2.826 -11.386 -1.251 473 HG21 VAL 61 3HG2 VAL 61 -0.688 -10.188 -4.091 474 HG22 VAL 61 1HG2 VAL 61 -0.701 -11.258 -2.688 475 HG23 VAL 61 2HG2 VAL 61 -0.694 -9.508 -2.464 476 H SER 62 H SER 62 -4.838 -10.957 -5.818 477 HA SER 62 HA SER 62 -3.361 -11.696 -8.095 478 HB2 SER 62 2HB SER 62 -5.848 -9.987 -7.878 479 HB3 SER 62 1HB SER 62 -5.221 -10.660 -9.382 480 HG SER 62 HG SER 62 -6.872 -11.815 -7.742 481 H ALA 63 H ALA 63 -3.267 -10.166 -10.077 482 HA ALA 63 HA ALA 63 -1.177 -8.324 -9.592 483 HB1 ALA 63 3HB ALA 63 -1.289 -7.849 -11.982 484 HB2 ALA 63 1HB ALA 63 -2.848 -8.670 -12.082 485 HB3 ALA 63 2HB ALA 63 -1.393 -9.583 -11.678 486 H ALA 64 H ALA 64 -4.625 -7.816 -10.356 487 HA ALA 64 HA ALA 64 -4.695 -5.081 -10.713 488 HB1 ALA 64 3HB ALA 64 -6.637 -6.548 -10.996 489 HB2 ALA 64 1HB ALA 64 -7.017 -5.153 -9.987 490 HB3 ALA 64 2HB ALA 64 -6.750 -6.732 -9.246 491 H LYS 65 H LYS 65 -4.675 -6.864 -7.659 492 HA LYS 65 HA LYS 65 -5.103 -4.828 -5.835 493 HB2 LYS 65 2HB LYS 65 -4.829 -7.343 -5.445 494 HB3 LYS 65 1HB LYS 65 -3.099 -7.061 -5.429 495 HG2 LYS 65 2HG LYS 65 -4.954 -5.600 -3.569 496 HG3 LYS 65 1HG LYS 65 -4.338 -7.205 -3.191 497 HD2 LYS 65 2HD LYS 65 -2.552 -4.849 -3.814 498 HD3 LYS 65 1HD LYS 65 -3.066 -5.268 -2.184 499 HE2 LYS 65 2HE LYS 65 -0.886 -6.190 -2.535 500 HE3 LYS 65 1HE LYS 65 -2.043 -7.518 -2.510 501 HZ1 LYS 65 3HZ LYS 65 -0.953 -6.281 -4.980 502 HZ2 LYS 65 1HZ LYS 65 -1.953 -7.643 -4.891 503 HZ3 LYS 65 2HZ LYS 65 -0.376 -7.709 -4.284 504 H CYS 66 H CYS 66 -2.193 -5.584 -7.659 505 HA CYS 66 HA CYS 66 -0.596 -3.593 -6.240 506 HB2 CYS 66 2HB CYS 66 0.512 -5.661 -6.920 507 HB3 CYS 66 1HB CYS 66 0.086 -5.364 -8.602 508 HG CYS 66 HG CYS 66 2.750 -4.818 -8.496 509 H GLN 67 H GLN 67 -1.893 -4.093 -9.521 510 HA GLN 67 HA GLN 67 -0.797 -1.799 -10.706 511 HB2 GLN 67 2HB GLN 67 -3.395 -3.176 -11.433 512 HB3 GLN 67 1HB GLN 67 -2.471 -2.094 -12.469 513 HG2 GLN 67 2HG GLN 67 -0.584 -3.724 -12.366 514 HG3 GLN 67 1HG GLN 67 -1.649 -4.827 -11.495 515 HE21 GLN 67 1HE2 GLN 67 -3.431 -5.733 -12.616 516 HE22 GLN 67 2HE2 GLN 67 -3.480 -5.768 -14.338 517 H GLU 68 H GLU 68 -4.061 -2.246 -9.325 518 HA GLU 68 HA GLU 68 -4.927 0.406 -9.772 519 HB2 GLU 68 2HB GLU 68 -5.872 -1.620 -7.734 520 HB3 GLU 68 1HB GLU 68 -6.713 -0.127 -8.134 521 HG2 GLU 68 2HG GLU 68 -6.940 -0.916 -10.466 522 HG3 GLU 68 1HG GLU 68 -6.183 -2.437 -9.996 523 H PHE 69 H PHE 69 -3.325 -1.115 -6.992 524 HA PHE 69 HA PHE 69 -3.417 1.088 -5.243 525 HB2 PHE 69 2HB PHE 69 -2.730 -1.166 -4.518 526 HB3 PHE 69 1HB PHE 69 -1.262 -1.035 -5.481 527 HD1 PHE 69 HD1 PHE 69 -3.054 0.372 -2.557 528 HD2 PHE 69 HD2 PHE 69 0.661 0.066 -4.629 529 HE1 PHE 69 HE1 PHE 69 -1.899 1.390 -0.637 530 HE2 PHE 69 HE2 PHE 69 1.817 1.081 -2.711 531 HZ PHE 69 HZ PHE 69 0.538 1.744 -0.711 532 H GLY 70 H GLY 70 -0.954 0.157 -7.652 533 HA2 GLY 70 2HA GLY 70 0.739 2.389 -7.333 534 HA3 GLY 70 1HA GLY 70 0.607 1.407 -8.783 535 H ARG 71 H ARG 71 -2.262 2.006 -9.104 536 HA ARG 71 HA ARG 71 -2.121 4.331 -10.702 537 HB2 ARG 71 2HB ARG 71 -3.778 2.351 -10.816 538 HB3 ARG 71 1HB ARG 71 -4.687 3.191 -9.576 539 HG2 ARG 71 2HG ARG 71 -3.999 4.425 -12.238 540 HG3 ARG 71 1HG ARG 71 -5.480 3.516 -11.943 541 HD2 ARG 71 2HD ARG 71 -6.112 5.117 -10.200 542 HD3 ARG 71 1HD ARG 71 -4.622 6.018 -10.481 543 HE ARG 71 HE ARG 71 -6.712 5.704 -12.540 544 HH11 ARG 71 1HH1 ARG 71 -4.430 7.632 -10.827 545 HH12 ARG 71 2HH1 ARG 71 -4.769 9.049 -11.753 546 HH21 ARG 71 1HH2 ARG 71 -7.138 7.538 -13.725 547 HH22 ARG 71 2HH2 ARG 71 -6.293 9.001 -13.357 548 H TRP 72 H TRP 72 -3.673 3.796 -7.525 549 HA TRP 72 HA TRP 72 -4.289 6.549 -7.101 550 HB2 TRP 72 2HB TRP 72 -5.553 4.835 -5.945 551 HB3 TRP 72 1HB TRP 72 -4.096 4.232 -5.161 552 HD1 TRP 72 HD TRP 72 -6.337 7.398 -5.156 553 HE1 TRP 72 HE1 TRP 72 -6.156 8.510 -2.840 554 HE3 TRP 72 HE3 TRP 72 -2.791 4.360 -3.078 555 HZ2 TRP 72 HZ2 TRP 72 -4.704 8.137 -0.447 556 HZ3 TRP 72 HZ3 TRP 72 -2.064 4.804 -0.771 557 HH2 TRP 72 HH TRP 72 -2.999 6.653 0.518 558 H TYR 73 H TYR 73 -1.601 4.481 -6.118 559 HA TYR 73 HA TYR 73 -0.248 6.044 -4.310 560 HB2 TYR 73 2HB TYR 73 0.425 3.760 -4.958 561 HB3 TYR 73 1HB TYR 73 0.948 4.351 -6.527 562 HD1 TYR 73 HD1 TYR 73 1.760 4.168 -2.952 563 HD2 TYR 73 HD2 TYR 73 3.048 5.587 -6.757 564 HE1 TYR 73 HE1 TYR 73 4.014 4.540 -2.045 565 HE2 TYR 73 HE2 TYR 73 5.306 5.963 -5.859 566 HH TYR 73 HH TYR 73 6.397 4.681 -3.004 567 H LYS 74 H LYS 74 0.132 6.158 -7.859 568 HA LYS 74 HA LYS 74 1.971 8.320 -7.832 569 HB2 LYS 74 2HB LYS 74 0.299 7.090 -10.018 570 HB3 LYS 74 1HB LYS 74 1.342 8.476 -10.314 571 HG2 LYS 74 2HG LYS 74 3.275 7.168 -9.518 572 HG3 LYS 74 1HG LYS 74 2.219 5.776 -9.296 573 HD2 LYS 74 2HD LYS 74 2.415 7.137 -11.969 574 HD3 LYS 74 1HD LYS 74 3.637 5.970 -11.465 575 HE2 LYS 74 2HE LYS 74 1.972 4.853 -12.798 576 HE3 LYS 74 1HE LYS 74 1.852 4.289 -11.135 577 HZ1 LYS 74 3HZ LYS 74 -0.311 4.709 -12.165 578 HZ2 LYS 74 1HZ LYS 74 0.087 6.339 -12.365 579 HZ3 LYS 74 2HZ LYS 74 -0.061 5.690 -10.811 580 H HIS 75 H HIS 75 -1.533 8.229 -7.831 581 HA HIS 75 HA HIS 75 -1.873 11.002 -8.520 582 HB2 HIS 75 2HB HIS 75 -3.649 9.239 -8.815 583 HB3 HIS 75 1HB HIS 75 -3.824 9.187 -7.066 584 HD1 HIS 75 HD1 HIS 75 -4.775 11.410 -5.929 585 HD2 HIS 75 HD2 HIS 75 -5.016 11.262 -10.075 586 HE1 HIS 75 HE1 HIS 75 -6.400 13.207 -6.572 587 HE2 HIS 75 HE2 HIS 75 -6.646 12.995 -9.063 588 H PHE 76 H PHE 76 -1.675 9.149 -5.537 589 HA PHE 76 HA PHE 76 -2.335 11.223 -3.728 590 HB2 PHE 76 2HB PHE 76 -2.492 8.870 -3.121 591 HB3 PHE 76 1HB PHE 76 -0.760 8.663 -3.343 592 HD1 PHE 76 HD2 PHE 76 -3.330 10.297 -1.226 593 HD2 PHE 76 HD1 PHE 76 0.761 9.153 -1.589 594 HE1 PHE 76 HE2 PHE 76 -2.971 10.827 1.151 595 HE2 PHE 76 HE1 PHE 76 1.117 9.682 0.786 596 HZ PHE 76 HZ PHE 76 -0.746 10.521 2.157 597 H LYS 77 H LYS 77 0.799 9.940 -4.829 598 HA LYS 77 HA LYS 77 2.225 12.016 -3.351 599 HB2 LYS 77 2HB LYS 77 3.186 9.629 -4.931 600 HB3 LYS 77 1HB LYS 77 4.264 10.802 -4.182 601 HG2 LYS 77 2HG LYS 77 3.362 10.248 -1.982 602 HG3 LYS 77 1HG LYS 77 2.252 9.092 -2.717 603 HD2 LYS 77 2HD LYS 77 4.273 8.030 -1.733 604 HD3 LYS 77 1HD LYS 77 4.095 7.719 -3.461 605 HE2 LYS 77 2HE LYS 77 5.759 9.391 -3.977 606 HE3 LYS 77 1HE LYS 77 5.856 9.873 -2.283 607 HZ1 LYS 77 3HZ LYS 77 7.685 8.426 -2.974 608 HZ2 LYS 77 1HZ LYS 77 6.585 7.188 -3.325 609 HZ3 LYS 77 2HZ LYS 77 6.767 7.737 -1.732 610 H LYS 78 H LYS 78 1.026 11.571 -6.525 611 HA LYS 78 HA LYS 78 1.211 12.778 -8.451 612 HB2 LYS 78 2HB LYS 78 2.549 14.803 -6.639 613 HB3 LYS 78 1HB LYS 78 1.999 15.128 -8.277 614 HG2 LYS 78 2HG LYS 78 0.178 14.230 -6.050 615 HG3 LYS 78 1HG LYS 78 0.472 15.919 -6.461 616 HD2 LYS 78 2HD LYS 78 -0.633 13.851 -8.374 617 HD3 LYS 78 1HD LYS 78 -1.613 15.005 -7.467 618 HE2 LYS 78 2HE LYS 78 0.524 15.699 -9.487 619 HE3 LYS 78 1HE LYS 78 -1.215 15.768 -9.759 620 HZ1 LYS 78 3HZ LYS 78 0.250 17.375 -7.736 621 HZ2 LYS 78 1HZ LYS 78 -1.399 17.478 -8.091 622 HZ3 LYS 78 2HZ LYS 78 -0.254 17.943 -9.243 623 H THR 79 H THR 79 3.287 10.865 -7.828 624 HA THR 79 HA THR 79 5.850 11.970 -8.517 625 HB THR 79 HB THR 79 6.618 9.599 -8.635 626 HG1 THR 79 HG1 THR 79 4.656 8.642 -9.329 627 HG21 THR 79 3HG2 THR 79 5.013 10.296 -6.167 628 HG22 THR 79 1HG2 THR 79 6.673 10.791 -6.499 629 HG23 THR 79 2HG2 THR 79 6.292 9.087 -6.255 630 H LYS 80 H LYS 80 5.376 13.013 -10.504 631 HA LYS 80 HA LYS 80 6.235 11.566 -12.758 632 HB2 LYS 80 2HB LYS 80 3.889 10.726 -12.736 633 HB3 LYS 80 1HB LYS 80 3.314 12.378 -12.871 634 HG2 LYS 80 2HG LYS 80 3.155 11.580 -15.045 635 HG3 LYS 80 1HG LYS 80 4.675 12.468 -15.059 636 HD2 LYS 80 2HD LYS 80 4.507 9.479 -14.634 637 HD3 LYS 80 1HD LYS 80 4.678 10.212 -16.225 638 HE2 LYS 80 2HE LYS 80 6.781 11.300 -15.426 639 HE3 LYS 80 1HE LYS 80 6.625 10.398 -13.922 640 HZ1 LYS 80 3HZ LYS 80 8.116 9.257 -15.381 641 HZ2 LYS 80 1HZ LYS 80 6.988 9.261 -16.639 642 HZ3 LYS 80 2HZ LYS 80 6.704 8.338 -15.254 643 H ASP 81 H ASP 81 7.693 13.237 -12.930 644 HA ASP 81 HA ASP 81 6.718 15.988 -13.024 645 HB2 ASP 81 2HB ASP 81 8.593 15.518 -11.548 646 HB3 ASP 81 1HB ASP 81 9.523 14.859 -12.891 647 H MET 82 H MET 82 6.194 16.842 -14.911 648 HA MET 82 HA MET 82 8.024 17.244 -16.984 649 HB2 MET 82 2HB MET 82 7.575 14.845 -17.504 650 HB3 MET 82 1HB MET 82 5.874 15.231 -17.719 651 HG2 MET 82 2HG MET 82 6.444 16.716 -19.579 652 HG3 MET 82 1HG MET 82 8.151 16.335 -19.357 653 HE1 MET 82 3HE MET 82 8.441 15.616 -21.878 654 HE2 MET 82 1HE MET 82 6.759 16.074 -22.153 655 HE3 MET 82 2HE MET 82 7.348 14.506 -22.706 656 H MET 83 H MET 83 7.409 19.072 -18.004 657 HA MET 83 HA MET 83 4.663 19.640 -18.641 658 HB2 MET 83 2HB MET 83 4.755 20.209 -16.217 659 HB3 MET 83 1HB MET 83 6.003 21.396 -16.569 660 HG2 MET 83 2HG MET 83 4.438 22.645 -17.958 661 HG3 MET 83 1HG MET 83 3.184 21.443 -17.639 662 HE1 MET 83 3HE MET 83 1.530 23.355 -16.829 663 HE2 MET 83 1HE MET 83 2.773 24.557 -17.167 664 HE3 MET 83 2HE MET 83 1.952 24.557 -15.608 Start of MODEL 17 1 H1 MET 1 1H MET 1 6.466 8.697 21.508 2 H2 MET 1 2H MET 1 5.240 8.094 22.503 3 H3 MET 1 3H MET 1 5.096 7.982 20.822 4 HA MET 1 HA MET 1 7.127 6.604 22.491 5 HB2 MET 1 2HB MET 1 4.713 5.523 21.013 6 HB3 MET 1 1HB MET 1 5.942 4.532 21.784 7 HG2 MET 1 2HG MET 1 5.351 5.497 23.956 8 HG3 MET 1 1HG MET 1 4.098 6.465 23.179 9 HE1 MET 1 3HE MET 1 1.939 5.394 21.979 10 HE2 MET 1 1HE MET 1 1.666 3.657 21.864 11 HE3 MET 1 2HE MET 1 3.007 4.399 20.991 12 H GLY 2 H GLY 2 8.839 5.712 21.417 13 HA2 GLY 2 2HA GLY 2 9.247 6.297 18.633 14 HA3 GLY 2 1HA GLY 2 10.316 5.365 19.670 15 H HIS 3 H HIS 3 9.302 4.914 16.872 16 HA HIS 3 HA HIS 3 8.487 2.114 17.251 17 HB2 HIS 3 2HB HIS 3 7.089 3.994 15.322 18 HB3 HIS 3 1HB HIS 3 6.766 2.273 15.504 19 HD1 HIS 3 HD1 HIS 3 5.938 1.634 18.086 20 HD2 HIS 3 HD2 HIS 3 5.422 5.544 16.782 21 HE1 HIS 3 HE1 HIS 3 4.217 2.629 19.614 22 HE2 HIS 3 HE2 HIS 3 3.758 4.908 18.653 23 H HIS 4 H HIS 4 9.000 0.730 15.444 24 HA HIS 4 HA HIS 4 11.372 1.556 14.069 25 HB2 HIS 4 2HB HIS 4 11.356 -0.702 13.061 26 HB3 HIS 4 1HB HIS 4 11.192 -0.745 14.808 27 HD1 HIS 4 HD1 HIS 4 8.987 -1.678 15.765 28 HD2 HIS 4 HD2 HIS 4 9.143 -1.658 11.618 29 HE1 HIS 4 HE1 HIS 4 7.078 -3.116 15.016 30 HE2 HIS 4 HE2 HIS 4 7.337 -3.264 12.519 31 H HIS 5 H HIS 5 11.241 2.988 12.458 32 HA HIS 5 HA HIS 5 9.052 2.875 10.525 33 HB2 HIS 5 2HB HIS 5 11.380 4.805 10.779 34 HB3 HIS 5 1HB HIS 5 10.053 4.961 9.628 35 HD1 HIS 5 HD1 HIS 5 11.007 5.685 13.103 36 HD2 HIS 5 HD2 HIS 5 7.505 5.550 10.874 37 HE1 HIS 5 HE1 HIS 5 9.292 6.886 14.477 38 HE2 HIS 5 HE2 HIS 5 7.271 7.012 12.991 39 H HIS 6 H HIS 6 12.586 3.244 10.158 40 HA HIS 6 HA HIS 6 14.092 2.381 8.700 41 HB2 HIS 6 2HB HIS 6 12.332 -0.060 8.987 42 HB3 HIS 6 1HB HIS 6 13.972 -0.064 8.351 43 HD1 HIS 6 HD1 HIS 6 12.562 -1.274 11.143 44 HD2 HIS 6 HD2 HIS 6 15.484 1.643 10.668 45 HE1 HIS 6 HE1 HIS 6 13.831 -1.232 13.307 46 HE2 HIS 6 HE2 HIS 6 15.712 0.393 12.918 47 H HIS 7 H HIS 7 11.849 3.766 7.389 48 HA HIS 7 HA HIS 7 11.178 2.364 5.008 49 HB2 HIS 7 2HB HIS 7 11.206 5.326 5.625 50 HB3 HIS 7 1HB HIS 7 10.646 4.666 4.093 51 HD1 HIS 7 HD1 HIS 7 8.669 6.261 5.683 52 HD2 HIS 7 HD2 HIS 7 9.135 2.160 6.197 53 HE1 HIS 7 HE1 HIS 7 6.494 5.450 6.628 54 HE2 HIS 7 HE2 HIS 7 6.840 3.002 7.067 55 H HIS 8 H HIS 8 13.049 1.443 4.169 56 HA HIS 8 HA HIS 8 15.053 3.301 3.036 57 HB2 HIS 8 2HB HIS 8 15.292 0.377 3.779 58 HB3 HIS 8 1HB HIS 8 16.518 1.251 2.868 59 HD1 HIS 8 HD1 HIS 8 18.039 2.845 4.154 60 HD2 HIS 8 HD2 HIS 8 15.121 1.072 6.523 61 HE1 HIS 8 HE1 HIS 8 18.698 3.343 6.521 62 HE2 HIS 8 HE2 HIS 8 16.985 2.174 7.934 63 H SER 9 H SER 9 16.155 2.237 1.017 64 HA SER 9 HA SER 9 16.054 1.533 -1.148 65 HB2 SER 9 2HB SER 9 13.717 -0.171 -0.220 66 HB3 SER 9 1HB SER 9 14.674 -0.413 -1.680 67 HG SER 9 HG SER 9 15.165 -1.249 0.836 68 H HIS 10 H HIS 10 14.196 1.062 -2.992 69 HA HIS 10 HA HIS 10 12.676 3.533 -3.168 70 HB2 HIS 10 2HB HIS 10 13.286 1.298 -5.089 71 HB3 HIS 10 1HB HIS 10 12.038 2.481 -5.453 72 HD1 HIS 10 HD1 HIS 10 13.146 3.679 -7.335 73 HD2 HIS 10 HD2 HIS 10 15.583 3.412 -3.977 74 HE1 HIS 10 HE1 HIS 10 15.117 5.155 -7.819 75 HE2 HIS 10 HE2 HIS 10 16.557 5.018 -5.759 76 H MET 11 H MET 11 10.932 3.401 -1.799 77 HA MET 11 HA MET 11 9.015 1.193 -2.207 78 HB2 MET 11 2HB MET 11 9.237 3.200 0.054 79 HB3 MET 11 1HB MET 11 7.976 1.982 -0.079 80 HG2 MET 11 2HG MET 11 9.671 0.215 0.048 81 HG3 MET 11 1HG MET 11 10.930 1.441 0.204 82 HE1 MET 11 3HE MET 11 10.449 -1.021 2.258 83 HE2 MET 11 1HE MET 11 10.718 -0.195 3.793 84 HE3 MET 11 2HE MET 11 11.765 0.144 2.415 85 H LEU 12 H LEU 12 9.359 4.693 -2.314 86 HA LEU 12 HA LEU 12 6.565 5.169 -2.775 87 HB2 LEU 12 2HB LEU 12 8.963 6.989 -2.853 88 HB3 LEU 12 1HB LEU 12 7.345 7.541 -3.245 89 HG LEU 12 HG LEU 12 6.622 6.792 -0.941 90 HD11 LEU 12 1HD1 LEU 12 8.349 6.500 0.767 91 HD12 LEU 12 2HD1 LEU 12 9.595 6.551 -0.482 92 HD13 LEU 12 3HD1 LEU 12 8.426 5.232 -0.458 93 HD21 LEU 12 3HD2 LEU 12 7.527 8.754 0.187 94 HD22 LEU 12 1HD2 LEU 12 7.050 9.138 -1.467 95 HD23 LEU 12 2HD2 LEU 12 8.755 8.924 -1.069 96 HA PRO 13 HA PRO 13 8.222 6.009 -7.394 97 HB2 PRO 13 2HB PRO 13 10.279 3.833 -7.339 98 HB3 PRO 13 1HB PRO 13 10.292 5.374 -8.206 99 HG2 PRO 13 2HG PRO 13 11.783 5.066 -6.041 100 HG3 PRO 13 1HG PRO 13 10.902 6.585 -6.307 101 HD2 PRO 13 2HD PRO 13 10.236 4.300 -4.483 102 HD3 PRO 13 1HD PRO 13 10.106 6.047 -4.193 103 HA PRO 14 HA PRO 14 5.804 2.598 -9.090 104 HB2 PRO 14 2HB PRO 14 7.898 2.120 -11.168 105 HB3 PRO 14 1HB PRO 14 6.162 2.392 -11.360 106 HG2 PRO 14 2HG PRO 14 7.893 4.325 -11.932 107 HG3 PRO 14 1HG PRO 14 6.363 4.698 -11.113 108 HD2 PRO 14 2HD PRO 14 9.129 4.510 -9.970 109 HD3 PRO 14 1HD PRO 14 7.825 5.655 -9.587 110 H GLU 15 H GLU 15 8.974 1.334 -10.097 111 HA GLU 15 HA GLU 15 10.319 -0.334 -9.366 112 HB2 GLU 15 2HB GLU 15 8.740 -0.124 -6.799 113 HB3 GLU 15 1HB GLU 15 10.260 -0.988 -6.995 114 HG2 GLU 15 2HG GLU 15 9.829 1.983 -7.280 115 HG3 GLU 15 1HG GLU 15 10.638 1.155 -5.950 116 H GLN 16 H GLN 16 7.083 -0.865 -9.857 117 HA GLN 16 HA GLN 16 5.825 -2.675 -10.369 118 HB2 GLN 16 2HB GLN 16 7.941 -3.454 -11.507 119 HB3 GLN 16 1HB GLN 16 8.318 -4.369 -10.058 120 HG2 GLN 16 2HG GLN 16 5.734 -4.773 -11.537 121 HG3 GLN 16 1HG GLN 16 7.213 -5.587 -12.030 122 HE21 GLN 16 1HE2 GLN 16 4.664 -6.642 -10.974 123 HE22 GLN 16 2HE2 GLN 16 5.096 -7.598 -9.604 124 H TRP 17 H TRP 17 4.349 -3.249 -8.943 125 HA TRP 17 HA TRP 17 5.139 -4.075 -6.246 126 HB2 TRP 17 2HB TRP 17 2.382 -3.441 -7.335 127 HB3 TRP 17 1HB TRP 17 2.798 -3.699 -5.643 128 HD1 TRP 17 HD TRP 17 3.190 -1.133 -8.459 129 HE1 TRP 17 HE1 TRP 17 3.803 1.133 -7.428 130 HE3 TRP 17 HE3 TRP 17 3.843 -2.605 -3.608 131 HZ2 TRP 17 HZ2 TRP 17 4.471 2.173 -4.880 132 HZ3 TRP 17 HZ3 TRP 17 4.467 -0.914 -1.934 133 HH2 TRP 17 HH TRP 17 4.775 1.428 -2.559 134 H SER 18 H SER 18 5.574 -6.222 -6.124 135 HA SER 18 HA SER 18 4.252 -8.257 -7.591 136 HB2 SER 18 2HB SER 18 5.370 -9.841 -6.156 137 HB3 SER 18 1HB SER 18 6.494 -8.515 -6.449 138 HG SER 18 HG SER 18 6.022 -9.403 -4.168 139 H HIS 19 H HIS 19 3.059 -10.099 -6.411 140 HA HIS 19 HA HIS 19 0.561 -9.127 -5.631 141 HB2 HIS 19 2HB HIS 19 1.731 -11.872 -5.124 142 HB3 HIS 19 1HB HIS 19 0.022 -11.462 -5.053 143 HD1 HIS 19 HD1 HIS 19 1.891 -13.346 -7.121 144 HD2 HIS 19 HD2 HIS 19 -0.325 -9.922 -7.895 145 HE1 HIS 19 HE1 HIS 19 1.377 -13.422 -9.571 146 HE2 HIS 19 HE2 HIS 19 0.209 -11.251 -10.050 147 H THR 20 H THR 20 3.320 -10.049 -3.649 148 HA THR 20 HA THR 20 1.720 -9.992 -1.197 149 HB THR 20 HB THR 20 4.660 -10.671 -1.462 150 HG1 THR 20 HG1 THR 20 3.494 -12.897 -1.143 151 HG21 THR 20 3HG2 THR 20 3.958 -10.134 0.824 152 HG22 THR 20 1HG2 THR 20 4.303 -11.855 0.669 153 HG23 THR 20 2HG2 THR 20 2.633 -11.292 0.701 154 H THR 21 H THR 21 4.370 -8.179 -2.708 155 HA THR 21 HA THR 21 5.471 -6.854 -0.561 156 HB THR 21 HB THR 21 5.029 -5.763 -3.353 157 HG1 THR 21 HG1 THR 21 6.537 -7.176 -3.775 158 HG21 THR 21 3HG2 THR 21 5.514 -3.916 -1.819 159 HG22 THR 21 1HG2 THR 21 6.901 -4.228 -2.866 160 HG23 THR 21 2HG2 THR 21 6.914 -4.785 -1.192 161 H VAL 22 H VAL 22 2.431 -6.069 -2.150 162 HA VAL 22 HA VAL 22 1.920 -3.510 -1.246 163 HB VAL 22 HB VAL 22 -0.095 -5.765 -1.465 164 HG11 VAL 22 1HG1 VAL 22 -1.738 -3.971 -1.868 165 HG12 VAL 22 2HG1 VAL 22 -0.492 -2.767 -1.532 166 HG13 VAL 22 3HG1 VAL 22 -1.023 -3.866 -0.259 167 HG21 VAL 22 3HG2 VAL 22 0.803 -3.760 -3.543 168 HG22 VAL 22 1HG2 VAL 22 -0.464 -4.969 -3.750 169 HG23 VAL 22 2HG2 VAL 22 1.209 -5.476 -3.522 170 H ARG 23 H ARG 23 1.806 -6.502 0.578 171 HA ARG 23 HA ARG 23 0.286 -5.804 2.790 172 HB2 ARG 23 2HB ARG 23 1.175 -8.070 2.327 173 HB3 ARG 23 1HB ARG 23 2.787 -7.513 2.749 174 HG2 ARG 23 2HG ARG 23 1.906 -6.976 5.042 175 HG3 ARG 23 1HG ARG 23 0.405 -7.780 4.574 176 HD2 ARG 23 2HD ARG 23 1.792 -9.337 5.795 177 HD3 ARG 23 1HD ARG 23 1.704 -9.843 4.107 178 HE ARG 23 HE ARG 23 3.969 -8.227 4.445 179 HH11 ARG 23 1HH1 ARG 23 2.824 -11.347 5.370 180 HH12 ARG 23 2HH1 ARG 23 4.417 -12.002 5.505 181 HH21 ARG 23 1HH2 ARG 23 5.993 -9.082 4.625 182 HH22 ARG 23 2HH2 ARG 23 6.190 -10.733 5.100 183 H ASN 24 H ASN 24 3.734 -5.181 2.193 184 HA ASN 24 HA ASN 24 4.392 -4.227 4.760 185 HB2 ASN 24 2HB ASN 24 6.068 -4.934 3.103 186 HB3 ASN 24 1HB ASN 24 5.670 -3.547 2.099 187 HD21 ASN 24 1HD2 ASN 24 6.380 -1.507 2.716 188 HD22 ASN 24 2HD2 ASN 24 7.572 -1.281 3.942 189 H ALA 25 H ALA 25 3.327 -2.491 1.847 190 HA ALA 25 HA ALA 25 3.567 0.129 2.896 191 HB1 ALA 25 3HB ALA 25 2.154 0.810 1.013 192 HB2 ALA 25 1HB ALA 25 1.750 -0.877 0.700 193 HB3 ALA 25 2HB ALA 25 3.408 -0.314 0.493 194 H LEU 26 H LEU 26 0.746 -2.047 2.635 195 HA LEU 26 HA LEU 26 -1.093 -0.345 3.938 196 HB2 LEU 26 2HB LEU 26 -1.070 -3.364 3.748 197 HB3 LEU 26 1HB LEU 26 -2.444 -2.402 4.263 198 HG LEU 26 HG LEU 26 -1.182 -2.310 1.513 199 HD11 LEU 26 1HD1 LEU 26 -3.216 -3.420 0.753 200 HD12 LEU 26 2HD1 LEU 26 -3.794 -3.528 2.416 201 HD13 LEU 26 3HD1 LEU 26 -2.352 -4.417 1.924 202 HD21 LEU 26 3HD2 LEU 26 -3.659 -0.956 2.593 203 HD22 LEU 26 1HD2 LEU 26 -3.129 -0.945 0.909 204 HD23 LEU 26 2HD2 LEU 26 -2.147 -0.165 2.147 205 H LYS 27 H LYS 27 1.264 -2.634 5.156 206 HA LYS 27 HA LYS 27 0.380 -2.919 7.798 207 HB2 LYS 27 2HB LYS 27 2.101 -4.332 6.780 208 HB3 LYS 27 1HB LYS 27 3.197 -2.967 6.679 209 HG2 LYS 27 2HG LYS 27 2.158 -3.780 9.357 210 HG3 LYS 27 1HG LYS 27 3.415 -4.752 8.594 211 HD2 LYS 27 2HD LYS 27 4.862 -2.791 8.436 212 HD3 LYS 27 1HD LYS 27 3.592 -1.779 9.129 213 HE2 LYS 27 2HE LYS 27 4.935 -4.104 10.514 214 HE3 LYS 27 1HE LYS 27 5.308 -2.404 10.784 215 HZ1 LYS 27 3HZ LYS 27 3.032 -2.074 11.548 216 HZ2 LYS 27 1HZ LYS 27 3.836 -3.236 12.479 217 HZ3 LYS 27 2HZ LYS 27 2.703 -3.720 11.321 218 H ASP 28 H ASP 28 2.432 -0.428 6.323 219 HA ASP 28 HA ASP 28 3.109 0.909 8.733 220 HB2 ASP 28 2HB ASP 28 4.362 1.160 6.607 221 HB3 ASP 28 1HB ASP 28 2.989 2.016 5.912 222 H LEU 29 H LEU 29 0.432 1.292 6.458 223 HA LEU 29 HA LEU 29 -0.552 3.710 7.689 224 HB2 LEU 29 2HB LEU 29 -1.815 1.898 5.628 225 HB3 LEU 29 1HB LEU 29 -2.420 3.479 6.092 226 HG LEU 29 HG LEU 29 0.230 2.935 4.732 227 HD11 LEU 29 1HD1 LEU 29 -0.779 4.046 2.799 228 HD12 LEU 29 2HD1 LEU 29 -2.309 4.177 3.667 229 HD13 LEU 29 3HD1 LEU 29 -1.670 2.589 3.241 230 HD21 LEU 29 3HD2 LEU 29 0.383 4.862 6.206 231 HD22 LEU 29 1HD2 LEU 29 -1.083 5.546 5.498 232 HD23 LEU 29 2HD2 LEU 29 0.375 5.380 4.521 233 H LEU 30 H LEU 30 -1.567 0.303 7.669 234 HA LEU 30 HA LEU 30 -4.123 0.598 8.716 235 HB2 LEU 30 2HB LEU 30 -3.306 -1.458 7.690 236 HB3 LEU 30 1HB LEU 30 -2.225 -1.726 9.045 237 HG LEU 30 HG LEU 30 -4.173 -1.993 10.543 238 HD11 LEU 30 1HD1 LEU 30 -5.761 -0.576 9.351 239 HD12 LEU 30 2HD1 LEU 30 -6.421 -2.189 9.607 240 HD13 LEU 30 3HD1 LEU 30 -5.808 -1.731 8.018 241 HD21 LEU 30 3HD2 LEU 30 -3.177 -3.961 9.504 242 HD22 LEU 30 1HD2 LEU 30 -4.235 -3.777 8.105 243 HD23 LEU 30 2HD2 LEU 30 -4.919 -4.164 9.685 244 H LYS 31 H LYS 31 -1.068 0.244 10.509 245 HA LYS 31 HA LYS 31 -2.272 -0.180 13.043 246 HB2 LYS 31 2HB LYS 31 0.064 -0.782 12.527 247 HB3 LYS 31 1HB LYS 31 0.477 0.919 12.408 248 HG2 LYS 31 2HG LYS 31 1.244 0.183 14.515 249 HG3 LYS 31 1HG LYS 31 -0.190 1.153 14.827 250 HD2 LYS 31 2HD LYS 31 -0.328 -1.852 14.613 251 HD3 LYS 31 1HD LYS 31 0.096 -1.057 16.126 252 HE2 LYS 31 2HE LYS 31 -2.046 0.172 16.052 253 HE3 LYS 31 1HE LYS 31 -2.466 -0.680 14.567 254 HZ1 LYS 31 3HZ LYS 31 -2.343 -2.772 15.819 255 HZ2 LYS 31 1HZ LYS 31 -3.514 -1.720 16.441 256 HZ3 LYS 31 2HZ LYS 31 -2.034 -1.904 17.236 257 H ASP 32 H ASP 32 -2.127 2.615 11.158 258 HA ASP 32 HA ASP 32 -2.567 4.345 13.514 259 HB2 ASP 32 2HB ASP 32 -0.553 4.842 12.063 260 HB3 ASP 32 1HB ASP 32 -1.674 5.244 10.766 261 H MET 33 H MET 33 -3.439 4.162 10.058 262 HA MET 33 HA MET 33 -5.862 5.676 10.452 263 HB2 MET 33 2HB MET 33 -4.433 5.850 8.403 264 HB3 MET 33 1HB MET 33 -4.898 4.208 7.983 265 HG2 MET 33 2HG MET 33 -7.259 4.951 7.886 266 HG3 MET 33 1HG MET 33 -6.717 6.603 8.185 267 HE1 MET 33 3HE MET 33 -5.034 7.895 6.515 268 HE2 MET 33 1HE MET 33 -4.509 7.237 4.965 269 HE3 MET 33 2HE MET 33 -3.929 6.520 6.467 270 H ASN 34 H ASN 34 -8.002 4.883 9.835 271 HA ASN 34 HA ASN 34 -8.472 2.188 10.798 272 HB2 ASN 34 2HB ASN 34 -10.444 4.299 9.888 273 HB3 ASN 34 1HB ASN 34 -10.849 2.794 10.708 274 HD21 ASN 34 1HD2 ASN 34 -10.290 2.553 12.898 275 HD22 ASN 34 2HD2 ASN 34 -9.945 3.922 13.895 276 H GLN 35 H GLN 35 -9.418 0.510 9.670 277 HA GLN 35 HA GLN 35 -8.672 0.033 7.057 278 HB2 GLN 35 2HB GLN 35 -10.969 -1.173 8.615 279 HB3 GLN 35 1HB GLN 35 -10.377 -1.813 7.086 280 HG2 GLN 35 2HG GLN 35 -8.213 -2.267 8.084 281 HG3 GLN 35 1HG GLN 35 -8.743 -1.552 9.606 282 HE21 GLN 35 1HE2 GLN 35 -9.049 -4.281 7.468 283 HE22 GLN 35 2HE2 GLN 35 -9.812 -5.330 8.604 284 H SER 36 H SER 36 -11.886 1.104 8.178 285 HA SER 36 HA SER 36 -13.200 1.034 5.714 286 HB2 SER 36 2HB SER 36 -14.373 1.314 7.866 287 HB3 SER 36 1HB SER 36 -13.719 2.944 8.012 288 HG SER 36 HG SER 36 -15.510 3.446 7.012 289 H SER 37 H SER 37 -11.938 3.991 7.304 290 HA SER 37 HA SER 37 -12.399 5.769 5.247 291 HB2 SER 37 2HB SER 37 -10.084 5.811 7.202 292 HB3 SER 37 1HB SER 37 -10.642 7.190 6.253 293 HG SER 37 HG SER 37 -12.253 7.462 7.590 294 H LEU 38 H LEU 38 -9.480 3.775 5.728 295 HA LEU 38 HA LEU 38 -7.967 4.797 3.596 296 HB2 LEU 38 2HB LEU 38 -7.197 3.273 5.471 297 HB3 LEU 38 1HB LEU 38 -7.922 1.942 4.597 298 HG LEU 38 HG LEU 38 -5.405 2.223 4.371 299 HD11 LEU 38 1HD1 LEU 38 -5.344 1.607 2.031 300 HD12 LEU 38 2HD1 LEU 38 -6.973 2.237 1.791 301 HD13 LEU 38 3HD1 LEU 38 -6.713 0.832 2.825 302 HD21 LEU 38 3HD2 LEU 38 -6.217 4.541 2.612 303 HD22 LEU 38 1HD2 LEU 38 -4.593 3.870 2.764 304 HD23 LEU 38 2HD2 LEU 38 -5.355 4.653 4.146 305 H ALA 39 H ALA 39 -10.299 2.120 3.690 306 HA ALA 39 HA ALA 39 -9.955 1.200 1.054 307 HB1 ALA 39 3HB ALA 39 -12.107 0.081 1.346 308 HB2 ALA 39 1HB ALA 39 -12.428 1.057 2.780 309 HB3 ALA 39 2HB ALA 39 -11.096 -0.099 2.781 310 H LYS 40 H LYS 40 -11.636 4.008 2.239 311 HA LYS 40 HA LYS 40 -13.124 4.371 -0.245 312 HB2 LYS 40 2HB LYS 40 -12.984 5.912 2.338 313 HB3 LYS 40 1HB LYS 40 -13.738 6.612 0.913 314 HG2 LYS 40 2HG LYS 40 -15.403 5.617 2.372 315 HG3 LYS 40 1HG LYS 40 -15.335 4.760 0.833 316 HD2 LYS 40 2HD LYS 40 -13.994 2.992 1.874 317 HD3 LYS 40 1HD LYS 40 -14.028 3.861 3.408 318 HE2 LYS 40 2HE LYS 40 -16.448 2.781 1.957 319 HE3 LYS 40 1HE LYS 40 -15.656 2.011 3.329 320 HZ1 LYS 40 3HZ LYS 40 -16.185 3.960 4.669 321 HZ2 LYS 40 1HZ LYS 40 -17.586 3.253 4.037 322 HZ3 LYS 40 2HZ LYS 40 -16.971 4.672 3.353 323 H GLU 41 H GLU 41 -10.166 5.491 1.220 324 HA GLU 41 HA GLU 41 -9.732 7.657 -0.630 325 HB2 GLU 41 2HB GLU 41 -7.768 6.202 1.164 326 HB3 GLU 41 1HB GLU 41 -7.447 7.703 0.308 327 HG2 GLU 41 2HG GLU 41 -9.484 7.302 2.494 328 HG3 GLU 41 1HG GLU 41 -7.925 8.109 2.655 329 H CYS 42 H CYS 42 -8.701 4.290 -0.375 330 HA CYS 42 HA CYS 42 -7.285 4.441 -2.940 331 HB2 CYS 42 2HB CYS 42 -6.395 2.264 -2.414 332 HB3 CYS 42 1HB CYS 42 -6.243 3.273 -0.978 333 HG CYS 42 HG CYS 42 -9.109 1.623 -0.921 334 HA PRO 43 HA PRO 43 -10.750 2.773 -5.228 335 HB2 PRO 43 2HB PRO 43 -9.340 1.511 -7.236 336 HB3 PRO 43 1HB PRO 43 -9.681 3.245 -7.194 337 HG2 PRO 43 2HG PRO 43 -7.201 1.781 -6.359 338 HG3 PRO 43 1HG PRO 43 -7.352 3.286 -7.288 339 HD2 PRO 43 2HD PRO 43 -6.732 3.323 -4.683 340 HD3 PRO 43 1HD PRO 43 -7.794 4.561 -5.386 341 H LEU 44 H LEU 44 -8.474 0.874 -3.585 342 HA LEU 44 HA LEU 44 -9.426 -1.728 -4.369 343 HB2 LEU 44 2HB LEU 44 -7.788 -0.930 -1.955 344 HB3 LEU 44 1HB LEU 44 -8.009 -2.561 -2.565 345 HG LEU 44 HG LEU 44 -6.533 -0.319 -3.962 346 HD11 LEU 44 1HD1 LEU 44 -4.555 -1.717 -3.599 347 HD12 LEU 44 2HD1 LEU 44 -5.538 -2.877 -2.706 348 HD13 LEU 44 3HD1 LEU 44 -5.305 -1.247 -2.074 349 HD21 LEU 44 3HD2 LEU 44 -6.993 -3.176 -4.830 350 HD22 LEU 44 1HD2 LEU 44 -5.931 -2.019 -5.632 351 HD23 LEU 44 2HD2 LEU 44 -7.669 -1.733 -5.586 352 H SER 45 H SER 45 -10.595 -3.205 -3.014 353 HA SER 45 HA SER 45 -12.604 -1.863 -1.367 354 HB2 SER 45 2HB SER 45 -12.461 -4.745 -2.304 355 HB3 SER 45 1HB SER 45 -13.826 -4.001 -1.469 356 HG SER 45 HG SER 45 -12.787 -3.034 -3.933 357 H GLN 46 H GLN 46 -13.057 -2.367 0.790 358 HA GLN 46 HA GLN 46 -10.862 -2.700 2.455 359 HB2 GLN 46 2HB GLN 46 -13.059 -1.644 3.054 360 HB3 GLN 46 1HB GLN 46 -13.737 -3.256 3.221 361 HG2 GLN 46 2HG GLN 46 -11.300 -2.933 4.776 362 HG3 GLN 46 1HG GLN 46 -12.517 -1.740 5.207 363 HE21 GLN 46 1HE2 GLN 46 -13.338 -4.962 4.084 364 HE22 GLN 46 2HE2 GLN 46 -13.934 -5.530 5.597 365 H SER 47 H SER 47 -13.173 -5.142 1.341 366 HA SER 47 HA SER 47 -12.333 -7.274 2.985 367 HB2 SER 47 2HB SER 47 -14.398 -7.450 1.717 368 HB3 SER 47 1HB SER 47 -13.515 -7.338 0.195 369 HG SER 47 HG SER 47 -13.786 -9.473 0.458 370 H MET 48 H MET 48 -11.161 -6.184 -0.180 371 HA MET 48 HA MET 48 -9.307 -8.241 -0.675 372 HB2 MET 48 2HB MET 48 -9.138 -5.317 -1.469 373 HB3 MET 48 1HB MET 48 -8.209 -6.625 -2.191 374 HG2 MET 48 2HG MET 48 -10.187 -7.608 -3.118 375 HG3 MET 48 1HG MET 48 -11.217 -6.475 -2.242 376 HE1 MET 48 3HE MET 48 -12.473 -5.925 -4.544 377 HE2 MET 48 1HE MET 48 -11.406 -7.032 -5.410 378 HE3 MET 48 2HE MET 48 -11.640 -5.388 -6.000 379 H ILE 49 H ILE 49 -8.830 -5.047 0.825 380 HA ILE 49 HA ILE 49 -6.141 -5.344 1.587 381 HB ILE 49 HB ILE 49 -8.320 -3.737 2.950 382 HG12 ILE 49 2HG1 ILE 49 -6.344 -2.902 0.800 383 HG13 ILE 49 1HG1 ILE 49 -8.050 -3.237 0.525 384 HG21 ILE 49 1HG2 ILE 49 -6.364 -3.982 4.385 385 HG22 ILE 49 2HG2 ILE 49 -6.485 -2.328 3.786 386 HG23 ILE 49 3HG2 ILE 49 -5.313 -3.438 3.075 387 HD11 ILE 49 3HD1 ILE 49 -8.643 -1.369 1.989 388 HD12 ILE 49 1HD1 ILE 49 -7.635 -0.855 0.635 389 HD13 ILE 49 2HD1 ILE 49 -6.930 -1.031 2.243 390 H SER 50 H SER 50 -9.135 -6.126 3.310 391 HA SER 50 HA SER 50 -8.038 -6.948 5.760 392 HB2 SER 50 2HB SER 50 -10.451 -6.543 5.432 393 HB3 SER 50 1HB SER 50 -10.554 -7.965 4.394 394 HG SER 50 HG SER 50 -10.172 -9.269 6.137 395 H SER 51 H SER 51 -8.690 -8.781 2.789 396 HA SER 51 HA SER 51 -7.921 -11.330 3.731 397 HB2 SER 51 2HB SER 51 -9.189 -11.017 1.644 398 HB3 SER 51 1HB SER 51 -7.796 -10.231 0.902 399 HG SER 51 HG SER 51 -8.339 -12.770 0.855 400 H ILE 52 H ILE 52 -6.041 -8.682 2.333 401 HA ILE 52 HA ILE 52 -3.576 -10.057 2.084 402 HB ILE 52 HB ILE 52 -4.068 -7.102 2.555 403 HG12 ILE 52 2HG1 ILE 52 -3.614 -8.622 -0.034 404 HG13 ILE 52 1HG1 ILE 52 -5.168 -8.011 0.520 405 HG21 ILE 52 1HG2 ILE 52 -1.603 -8.513 1.522 406 HG22 ILE 52 2HG2 ILE 52 -1.766 -7.711 3.085 407 HG23 ILE 52 3HG2 ILE 52 -1.831 -6.764 1.599 408 HD11 ILE 52 3HD1 ILE 52 -2.761 -6.345 -0.176 409 HD12 ILE 52 1HD1 ILE 52 -4.313 -5.725 0.389 410 HD13 ILE 52 2HD1 ILE 52 -4.207 -6.559 -1.162 411 H VAL 53 H VAL 53 -4.955 -8.121 4.727 412 HA VAL 53 HA VAL 53 -2.739 -8.446 6.501 413 HB VAL 53 HB VAL 53 -5.618 -7.776 7.182 414 HG11 VAL 53 1HG1 VAL 53 -3.073 -7.328 8.757 415 HG12 VAL 53 2HG1 VAL 53 -4.356 -8.474 9.148 416 HG13 VAL 53 3HG1 VAL 53 -4.675 -6.741 9.207 417 HG21 VAL 53 3HG2 VAL 53 -4.688 -6.215 5.543 418 HG22 VAL 53 1HG2 VAL 53 -3.296 -5.931 6.588 419 HG23 VAL 53 2HG2 VAL 53 -4.907 -5.433 7.108 420 H ASN 54 H ASN 54 -5.708 -10.236 5.925 421 HA ASN 54 HA ASN 54 -5.233 -12.082 8.134 422 HB2 ASN 54 2HB ASN 54 -7.522 -11.239 7.523 423 HB3 ASN 54 1HB ASN 54 -7.404 -12.132 6.013 424 HD21 ASN 54 1HD2 ASN 54 -7.632 -14.352 6.042 425 HD22 ASN 54 2HD2 ASN 54 -8.183 -15.217 7.430 426 H SER 55 H SER 55 -3.373 -11.897 5.801 427 HA SER 55 HA SER 55 -3.675 -14.238 4.212 428 HB2 SER 55 2HB SER 55 -1.252 -13.832 3.610 429 HB3 SER 55 1HB SER 55 -2.328 -12.466 3.328 430 HG SER 55 HG SER 55 -1.272 -11.341 4.753 431 H THR 56 H THR 56 -4.190 -15.724 5.974 432 HA THR 56 HA THR 56 -1.955 -16.662 7.613 433 HB THR 56 HB THR 56 -3.624 -18.235 8.581 434 HG1 THR 56 HG1 THR 56 -5.914 -17.422 7.858 435 HG21 THR 56 3HG2 THR 56 -5.026 -16.527 9.686 436 HG22 THR 56 1HG2 THR 56 -4.495 -15.339 8.494 437 HG23 THR 56 2HG2 THR 56 -3.332 -16.046 9.615 438 H TYR 57 H TYR 57 -4.358 -18.327 5.559 439 HA TYR 57 HA TYR 57 -2.222 -20.127 4.593 440 HB2 TYR 57 2HB TYR 57 -3.987 -21.715 4.020 441 HB3 TYR 57 1HB TYR 57 -4.145 -21.239 5.704 442 HD1 TYR 57 HD2 TYR 57 -5.854 -19.282 6.170 443 HD2 TYR 57 HD1 TYR 57 -5.871 -21.687 2.653 444 HE1 TYR 57 HE2 TYR 57 -8.206 -18.692 5.780 445 HE2 TYR 57 HE1 TYR 57 -8.225 -21.099 2.261 446 HH TYR 57 HH TYR 57 -10.191 -20.336 3.648 447 H TYR 58 H TYR 58 -2.246 -17.608 3.537 448 HA TYR 58 HA TYR 58 -4.013 -17.149 1.389 449 HB2 TYR 58 2HB TYR 58 -2.671 -15.240 0.879 450 HB3 TYR 58 1HB TYR 58 -2.698 -15.405 2.629 451 HD1 TYR 58 HD2 TYR 58 -0.653 -16.711 3.674 452 HD2 TYR 58 HD1 TYR 58 -0.633 -14.939 -0.200 453 HE1 TYR 58 HE2 TYR 58 1.806 -16.672 3.706 454 HE2 TYR 58 HE1 TYR 58 1.824 -14.903 -0.177 455 HH TYR 58 HH TYR 58 3.670 -16.647 2.019 456 H ALA 59 H ALA 59 -3.617 -17.060 -0.852 457 HA ALA 59 HA ALA 59 -1.439 -18.792 -1.859 458 HB1 ALA 59 3HB ALA 59 -2.869 -19.222 -3.809 459 HB2 ALA 59 1HB ALA 59 -4.128 -18.203 -3.111 460 HB3 ALA 59 2HB ALA 59 -3.662 -19.704 -2.309 461 H ASN 60 H ASN 60 -1.679 -17.980 -4.591 462 HA ASN 60 HA ASN 60 -0.259 -15.464 -4.468 463 HB2 ASN 60 2HB ASN 60 -1.039 -17.152 -6.861 464 HB3 ASN 60 1HB ASN 60 0.039 -15.758 -6.903 465 HD21 ASN 60 1HD2 ASN 60 0.545 -18.539 -7.601 466 HD22 ASN 60 2HD2 ASN 60 1.877 -19.038 -6.620 467 H VAL 61 H VAL 61 -1.863 -14.016 -3.738 468 HA VAL 61 HA VAL 61 -4.378 -13.575 -4.832 469 HB VAL 61 HB VAL 61 -3.629 -12.513 -2.754 470 HG11 VAL 61 1HG1 VAL 61 -2.181 -10.548 -2.761 471 HG12 VAL 61 2HG1 VAL 61 -1.949 -10.711 -4.501 472 HG13 VAL 61 3HG1 VAL 61 -1.340 -11.956 -3.411 473 HG21 VAL 61 3HG2 VAL 61 -4.489 -10.476 -4.817 474 HG22 VAL 61 1HG2 VAL 61 -4.655 -10.314 -3.069 475 HG23 VAL 61 2HG2 VAL 61 -5.559 -11.561 -3.929 476 H SER 62 H SER 62 -5.205 -12.114 -6.390 477 HA SER 62 HA SER 62 -3.819 -12.171 -8.834 478 HB2 SER 62 2HB SER 62 -6.264 -12.149 -8.728 479 HB3 SER 62 1HB SER 62 -6.240 -10.510 -8.081 480 HG SER 62 HG SER 62 -6.603 -10.708 -10.410 481 H ALA 63 H ALA 63 -3.610 -10.178 -10.283 482 HA ALA 63 HA ALA 63 -1.667 -8.445 -8.974 483 HB1 ALA 63 3HB ALA 63 -0.967 -7.842 -11.226 484 HB2 ALA 63 1HB ALA 63 -2.335 -8.728 -11.905 485 HB3 ALA 63 2HB ALA 63 -1.058 -9.595 -11.053 486 H ALA 64 H ALA 64 -4.829 -8.197 -10.469 487 HA ALA 64 HA ALA 64 -5.031 -5.557 -11.176 488 HB1 ALA 64 3HB ALA 64 -6.826 -7.208 -11.477 489 HB2 ALA 64 1HB ALA 64 -7.424 -5.717 -10.747 490 HB3 ALA 64 2HB ALA 64 -7.165 -7.146 -9.747 491 H LYS 65 H LYS 65 -5.618 -6.852 -7.901 492 HA LYS 65 HA LYS 65 -6.086 -4.504 -6.517 493 HB2 LYS 65 2HB LYS 65 -6.374 -6.610 -5.434 494 HB3 LYS 65 1HB LYS 65 -4.700 -7.061 -5.704 495 HG2 LYS 65 2HG LYS 65 -5.268 -4.672 -4.007 496 HG3 LYS 65 1HG LYS 65 -5.569 -6.273 -3.333 497 HD2 LYS 65 2HD LYS 65 -2.941 -5.291 -4.475 498 HD3 LYS 65 1HD LYS 65 -3.320 -5.477 -2.762 499 HE2 LYS 65 2HE LYS 65 -3.620 -7.893 -3.098 500 HE3 LYS 65 1HE LYS 65 -3.234 -7.703 -4.808 501 HZ1 LYS 65 3HZ LYS 65 -1.318 -8.460 -3.553 502 HZ2 LYS 65 1HZ LYS 65 -1.406 -7.103 -2.549 503 HZ3 LYS 65 2HZ LYS 65 -1.036 -6.919 -4.188 504 H CYS 66 H CYS 66 -2.946 -5.903 -7.425 505 HA CYS 66 HA CYS 66 -1.398 -3.961 -5.982 506 HB2 CYS 66 2HB CYS 66 -0.610 -5.915 -8.153 507 HB3 CYS 66 1HB CYS 66 0.529 -4.923 -7.251 508 HG CYS 66 HG CYS 66 0.945 -7.085 -5.864 509 H GLN 67 H GLN 67 -2.540 -4.246 -9.306 510 HA GLN 67 HA GLN 67 -0.847 -2.209 -10.371 511 HB2 GLN 67 2HB GLN 67 -3.431 -3.334 -11.478 512 HB3 GLN 67 1HB GLN 67 -2.265 -2.365 -12.373 513 HG2 GLN 67 2HG GLN 67 -0.566 -4.121 -12.009 514 HG3 GLN 67 1HG GLN 67 -1.781 -5.095 -11.187 515 HE21 GLN 67 1HE2 GLN 67 -0.649 -3.905 -14.229 516 HE22 GLN 67 2HE2 GLN 67 -1.638 -4.913 -15.224 517 H GLU 68 H GLU 68 -4.243 -2.206 -9.261 518 HA GLU 68 HA GLU 68 -4.626 0.589 -9.725 519 HB2 GLU 68 2HB GLU 68 -6.117 -1.446 -8.075 520 HB3 GLU 68 1HB GLU 68 -6.569 0.254 -8.061 521 HG2 GLU 68 2HG GLU 68 -6.448 -1.469 -10.535 522 HG3 GLU 68 1HG GLU 68 -7.911 -1.127 -9.614 523 H PHE 69 H PHE 69 -3.446 -1.297 -6.988 524 HA PHE 69 HA PHE 69 -3.359 0.771 -5.069 525 HB2 PHE 69 2HB PHE 69 -3.047 -1.584 -4.453 526 HB3 PHE 69 1HB PHE 69 -1.542 -1.639 -5.366 527 HD1 PHE 69 HD2 PHE 69 -3.184 0.023 -2.475 528 HD2 PHE 69 HD1 PHE 69 0.490 -1.068 -4.338 529 HE1 PHE 69 HE2 PHE 69 -1.954 0.754 -0.474 530 HE2 PHE 69 HE1 PHE 69 1.725 -0.345 -2.337 531 HZ PHE 69 HZ PHE 69 0.501 0.570 -0.403 532 H GLY 70 H GLY 70 -0.769 -0.426 -7.241 533 HA2 GLY 70 2HA GLY 70 1.193 1.464 -6.653 534 HA3 GLY 70 1HA GLY 70 1.015 0.663 -8.207 535 H ARG 71 H ARG 71 -1.361 1.631 -9.115 536 HA ARG 71 HA ARG 71 -0.895 4.152 -10.179 537 HB2 ARG 71 2HB ARG 71 -2.596 2.694 -11.093 538 HB3 ARG 71 1HB ARG 71 -3.510 2.739 -9.592 539 HG2 ARG 71 2HG ARG 71 -3.813 5.209 -9.969 540 HG3 ARG 71 1HG ARG 71 -3.114 4.975 -11.571 541 HD2 ARG 71 2HD ARG 71 -4.903 3.443 -12.161 542 HD3 ARG 71 1HD ARG 71 -5.570 3.555 -10.529 543 HE ARG 71 HE ARG 71 -5.341 6.030 -12.044 544 HH11 ARG 71 1HH1 ARG 71 -7.387 3.468 -10.950 545 HH12 ARG 71 2HH1 ARG 71 -8.833 4.389 -11.182 546 HH21 ARG 71 1HH2 ARG 71 -7.200 7.189 -12.331 547 HH22 ARG 71 2HH2 ARG 71 -8.726 6.464 -11.958 548 H TRP 72 H TRP 72 -3.117 3.375 -7.497 549 HA TRP 72 HA TRP 72 -3.838 5.944 -6.767 550 HB2 TRP 72 2HB TRP 72 -5.017 4.077 -5.841 551 HB3 TRP 72 1HB TRP 72 -3.554 3.438 -5.098 552 HD1 TRP 72 HD TRP 72 -5.747 6.639 -4.790 553 HE1 TRP 72 HE1 TRP 72 -5.781 7.336 -2.315 554 HE3 TRP 72 HE3 TRP 72 -2.606 3.070 -2.895 555 HZ2 TRP 72 HZ2 TRP 72 -4.631 6.490 0.117 556 HZ3 TRP 72 HZ3 TRP 72 -2.125 3.087 -0.480 557 HH2 TRP 72 HH TRP 72 -3.117 4.762 0.993 558 H TYR 73 H TYR 73 -1.187 3.992 -5.406 559 HA TYR 73 HA TYR 73 -0.329 5.858 -3.508 560 HB2 TYR 73 2HB TYR 73 0.283 3.411 -3.642 561 HB3 TYR 73 1HB TYR 73 1.435 3.838 -4.901 562 HD1 TYR 73 HD2 TYR 73 0.533 5.146 -1.502 563 HD2 TYR 73 HD1 TYR 73 3.630 3.943 -4.166 564 HE1 TYR 73 HE2 TYR 73 2.210 5.652 0.225 565 HE2 TYR 73 HE1 TYR 73 5.309 4.443 -2.445 566 HH TYR 73 HH TYR 73 4.485 5.062 0.818 567 H LYS 74 H LYS 74 0.564 5.496 -6.914 568 HA LYS 74 HA LYS 74 2.639 7.438 -6.934 569 HB2 LYS 74 2HB LYS 74 1.116 5.917 -8.931 570 HB3 LYS 74 1HB LYS 74 1.557 7.521 -9.488 571 HG2 LYS 74 2HG LYS 74 3.253 6.050 -10.216 572 HG3 LYS 74 1HG LYS 74 3.934 6.988 -8.892 573 HD2 LYS 74 2HD LYS 74 2.753 4.254 -8.436 574 HD3 LYS 74 1HD LYS 74 4.415 4.453 -8.985 575 HE2 LYS 74 2HE LYS 74 4.819 5.891 -6.977 576 HE3 LYS 74 1HE LYS 74 3.203 5.471 -6.415 577 HZ1 LYS 74 3HZ LYS 74 3.850 3.168 -6.306 578 HZ2 LYS 74 1HZ LYS 74 4.952 4.096 -5.419 579 HZ3 LYS 74 2HZ LYS 74 5.376 3.514 -6.947 580 H HIS 75 H HIS 75 -0.855 7.687 -7.584 581 HA HIS 75 HA HIS 75 -0.739 10.519 -8.088 582 HB2 HIS 75 2HB HIS 75 -2.472 9.092 -9.098 583 HB3 HIS 75 1HB HIS 75 -3.123 8.746 -7.499 584 HD1 HIS 75 HD1 HIS 75 -4.959 10.265 -6.739 585 HD2 HIS 75 HD2 HIS 75 -2.669 11.976 -9.760 586 HE1 HIS 75 HE1 HIS 75 -6.098 12.426 -7.310 587 HE2 HIS 75 HE2 HIS 75 -4.778 13.373 -9.226 588 H PHE 76 H PHE 76 -1.067 8.542 -5.272 589 HA PHE 76 HA PHE 76 -2.380 10.378 -3.559 590 HB2 PHE 76 2HB PHE 76 -2.228 7.943 -3.115 591 HB3 PHE 76 1HB PHE 76 -0.499 8.112 -2.835 592 HD1 PHE 76 HD2 PHE 76 -3.786 9.384 -1.603 593 HD2 PHE 76 HD1 PHE 76 0.275 8.477 -0.671 594 HE1 PHE 76 HE2 PHE 76 -4.228 9.848 0.773 595 HE2 PHE 76 HE1 PHE 76 -0.165 8.942 1.706 596 HZ PHE 76 HZ PHE 76 -2.420 9.626 2.430 597 H LYS 77 H LYS 77 1.096 9.607 -3.970 598 HA LYS 77 HA LYS 77 2.003 11.675 -2.236 599 HB2 LYS 77 2HB LYS 77 4.212 11.337 -3.261 600 HB3 LYS 77 1HB LYS 77 3.466 9.808 -2.825 601 HG2 LYS 77 2HG LYS 77 2.954 9.307 -5.096 602 HG3 LYS 77 1HG LYS 77 3.376 10.938 -5.619 603 HD2 LYS 77 2HD LYS 77 5.332 8.962 -4.425 604 HD3 LYS 77 1HD LYS 77 5.110 9.224 -6.154 605 HE2 LYS 77 2HE LYS 77 5.717 11.619 -5.807 606 HE3 LYS 77 1HE LYS 77 6.068 11.246 -4.121 607 HZ1 LYS 77 3HZ LYS 77 7.419 9.987 -6.448 608 HZ2 LYS 77 1HZ LYS 77 7.799 9.748 -4.818 609 HZ3 LYS 77 2HZ LYS 77 8.058 11.255 -5.539 610 H LYS 78 H LYS 78 0.802 11.696 -5.467 611 HA LYS 78 HA LYS 78 1.922 14.363 -5.982 612 HB2 LYS 78 2HB LYS 78 2.085 12.493 -7.710 613 HB3 LYS 78 1HB LYS 78 0.348 12.663 -7.929 614 HG2 LYS 78 2HG LYS 78 1.532 13.897 -9.644 615 HG3 LYS 78 1HG LYS 78 0.670 15.017 -8.584 616 HD2 LYS 78 2HD LYS 78 2.855 15.265 -7.306 617 HD3 LYS 78 1HD LYS 78 3.626 14.407 -8.639 618 HE2 LYS 78 2HE LYS 78 2.164 17.043 -8.764 619 HE3 LYS 78 1HE LYS 78 3.892 16.774 -8.974 620 HZ1 LYS 78 3HZ LYS 78 3.323 15.425 -10.959 621 HZ2 LYS 78 1HZ LYS 78 2.910 17.060 -11.099 622 HZ3 LYS 78 2HZ LYS 78 1.711 15.913 -10.787 623 H THR 79 H THR 79 -0.513 13.561 -4.193 624 HA THR 79 HA THR 79 -2.798 14.853 -5.201 625 HB THR 79 HB THR 79 -3.309 15.401 -2.763 626 HG1 THR 79 HG1 THR 79 -1.267 13.687 -1.951 627 HG21 THR 79 3HG2 THR 79 -2.605 12.532 -3.426 628 HG22 THR 79 1HG2 THR 79 -4.119 13.346 -3.826 629 HG23 THR 79 2HG2 THR 79 -3.693 13.057 -2.140 630 H LYS 80 H LYS 80 0.040 16.156 -3.538 631 HA LYS 80 HA LYS 80 -0.672 18.913 -3.953 632 HB2 LYS 80 2HB LYS 80 1.013 17.805 -2.256 633 HB3 LYS 80 1HB LYS 80 2.153 17.908 -3.585 634 HG2 LYS 80 2HG LYS 80 0.681 20.258 -2.396 635 HG3 LYS 80 1HG LYS 80 2.316 19.765 -1.957 636 HD2 LYS 80 2HD LYS 80 2.984 20.092 -4.344 637 HD3 LYS 80 1HD LYS 80 1.372 20.738 -4.659 638 HE2 LYS 80 2HE LYS 80 1.812 22.455 -2.882 639 HE3 LYS 80 1HE LYS 80 3.475 21.870 -2.817 640 HZ1 LYS 80 3HZ LYS 80 3.642 22.386 -5.217 641 HZ2 LYS 80 1HZ LYS 80 3.381 23.752 -4.255 642 HZ3 LYS 80 2HZ LYS 80 2.108 23.093 -5.145 643 H ASP 81 H ASP 81 -1.313 18.439 -6.272 644 HA ASP 81 HA ASP 81 0.834 17.742 -8.096 645 HB2 ASP 81 2HB ASP 81 -1.369 16.672 -8.310 646 HB3 ASP 81 1HB ASP 81 -2.102 18.238 -8.644 647 H MET 82 H MET 82 -1.711 20.062 -8.926 648 HA MET 82 HA MET 82 0.252 21.620 -10.376 649 HB2 MET 82 2HB MET 82 -2.052 20.999 -11.241 650 HB3 MET 82 1HB MET 82 -2.709 22.183 -10.122 651 HG2 MET 82 2HG MET 82 -0.706 22.831 -12.274 652 HG3 MET 82 1HG MET 82 -2.451 22.986 -12.463 653 HE1 MET 82 3HE MET 82 -0.265 25.335 -12.923 654 HE2 MET 82 1HE MET 82 -1.126 26.700 -12.210 655 HE3 MET 82 2HE MET 82 -1.993 25.537 -13.214 656 H MET 83 H MET 83 -1.816 22.095 -7.551 657 HA MET 83 HA MET 83 -1.055 24.867 -7.224 658 HB2 MET 83 2HB MET 83 -2.567 23.003 -5.378 659 HB3 MET 83 1HB MET 83 -2.371 24.731 -5.124 660 HG2 MET 83 2HG MET 83 -3.602 25.175 -7.190 661 HG3 MET 83 1HG MET 83 -3.793 23.440 -7.444 662 HE1 MET 83 3HE MET 83 -6.224 25.572 -7.378 663 HE2 MET 83 1HE MET 83 -7.417 24.656 -6.456 664 HE3 MET 83 2HE MET 83 -6.447 23.850 -7.689 Start of MODEL 18 1 H1 MET 1 1H MET 1 11.137 -10.658 16.557 2 H2 MET 1 2H MET 1 10.136 -11.010 17.872 3 H3 MET 1 3H MET 1 11.442 -9.954 18.061 4 HA MET 1 HA MET 1 9.127 -9.441 16.289 5 HB2 MET 1 2HB MET 1 9.723 -8.342 19.048 6 HB3 MET 1 1HB MET 1 8.454 -7.746 17.987 7 HG2 MET 1 2HG MET 1 7.501 -9.194 19.645 8 HG3 MET 1 1HG MET 1 7.387 -9.969 18.067 9 HE1 MET 1 3HE MET 1 10.422 -11.152 21.337 10 HE2 MET 1 1HE MET 1 9.153 -9.947 21.565 11 HE3 MET 1 2HE MET 1 10.498 -9.619 20.471 12 H GLY 2 H GLY 2 9.170 -7.445 15.216 13 HA2 GLY 2 2HA GLY 2 9.976 -5.381 14.541 14 HA3 GLY 2 1HA GLY 2 11.169 -5.458 15.822 15 H HIS 3 H HIS 3 12.611 -7.724 15.129 16 HA HIS 3 HA HIS 3 14.323 -6.586 13.161 17 HB2 HIS 3 2HB HIS 3 14.424 -9.325 14.448 18 HB3 HIS 3 1HB HIS 3 15.729 -8.577 13.531 19 HD1 HIS 3 HD1 HIS 3 17.005 -6.608 14.668 20 HD2 HIS 3 HD2 HIS 3 14.125 -8.401 17.072 21 HE1 HIS 3 HE1 HIS 3 17.474 -5.804 17.001 22 HE2 HIS 3 HE2 HIS 3 15.628 -6.771 18.404 23 H HIS 4 H HIS 4 13.622 -6.533 11.080 24 HA HIS 4 HA HIS 4 13.238 -9.129 9.736 25 HB2 HIS 4 2HB HIS 4 11.534 -6.655 9.290 26 HB3 HIS 4 1HB HIS 4 11.502 -8.084 8.263 27 HD1 HIS 4 HD1 HIS 4 10.439 -10.253 9.299 28 HD2 HIS 4 HD2 HIS 4 10.080 -6.847 11.649 29 HE1 HIS 4 HE1 HIS 4 8.703 -10.807 11.020 30 HE2 HIS 4 HE2 HIS 4 8.399 -8.692 12.339 31 H HIS 5 H HIS 5 14.551 -9.362 8.010 32 HA HIS 5 HA HIS 5 16.012 -6.979 7.049 33 HB2 HIS 5 2HB HIS 5 17.418 -8.659 8.162 34 HB3 HIS 5 1HB HIS 5 16.848 -9.893 7.044 35 HD1 HIS 5 HD1 HIS 5 19.044 -6.846 7.193 36 HD2 HIS 5 HD2 HIS 5 18.138 -9.945 4.579 37 HE1 HIS 5 HE1 HIS 5 20.744 -6.693 5.354 38 HE2 HIS 5 HE2 HIS 5 20.275 -8.671 3.874 39 H HIS 6 H HIS 6 14.949 -6.293 5.231 40 HA HIS 6 HA HIS 6 15.079 -8.083 2.926 41 HB2 HIS 6 2HB HIS 6 12.508 -6.721 3.777 42 HB3 HIS 6 1HB HIS 6 12.763 -7.432 2.187 43 HD1 HIS 6 HD1 HIS 6 13.243 -10.101 2.211 44 HD2 HIS 6 HD2 HIS 6 11.637 -8.485 5.687 45 HE1 HIS 6 HE1 HIS 6 12.338 -12.048 3.500 46 HE2 HIS 6 HE2 HIS 6 11.571 -11.070 5.684 47 H HIS 7 H HIS 7 16.865 -6.243 3.115 48 HA HIS 7 HA HIS 7 16.398 -3.611 2.347 49 HB2 HIS 7 2HB HIS 7 18.552 -4.219 3.143 50 HB3 HIS 7 1HB HIS 7 18.737 -5.468 1.923 51 HD1 HIS 7 HD1 HIS 7 18.749 -1.693 2.253 52 HD2 HIS 7 HD2 HIS 7 19.987 -4.661 -0.381 53 HE1 HIS 7 HE1 HIS 7 20.120 -0.521 0.510 54 HE2 HIS 7 HE2 HIS 7 21.001 -2.356 -0.963 55 H HIS 8 H HIS 8 15.196 -2.988 0.628 56 HA HIS 8 HA HIS 8 16.094 -3.769 -2.046 57 HB2 HIS 8 2HB HIS 8 13.208 -4.051 -1.160 58 HB3 HIS 8 1HB HIS 8 13.756 -4.142 -2.831 59 HD1 HIS 8 HD1 HIS 8 13.587 -6.088 0.324 60 HD2 HIS 8 HD2 HIS 8 15.144 -6.510 -3.500 61 HE1 HIS 8 HE1 HIS 8 14.174 -8.514 0.103 62 HE2 HIS 8 HE2 HIS 8 14.909 -8.780 -2.287 63 H SER 9 H SER 9 15.472 -2.307 -3.710 64 HA SER 9 HA SER 9 14.177 0.205 -2.831 65 HB2 SER 9 2HB SER 9 16.568 0.589 -3.318 66 HB3 SER 9 1HB SER 9 16.356 -0.089 -4.932 67 HG SER 9 HG SER 9 15.787 2.420 -4.003 68 H HIS 10 H HIS 10 13.562 1.450 -5.085 69 HA HIS 10 HA HIS 10 12.118 1.579 -6.832 70 HB2 HIS 10 2HB HIS 10 12.897 -1.303 -7.350 71 HB3 HIS 10 1HB HIS 10 12.106 -0.225 -8.496 72 HD1 HIS 10 HD1 HIS 10 13.622 1.990 -9.115 73 HD2 HIS 10 HD2 HIS 10 15.598 -1.307 -7.535 74 HE1 HIS 10 HE1 HIS 10 16.037 2.310 -9.701 75 HE2 HIS 10 HE2 HIS 10 17.232 0.392 -8.604 76 H MET 11 H MET 11 11.247 0.474 -4.154 77 HA MET 11 HA MET 11 8.922 -1.155 -4.882 78 HB2 MET 11 2HB MET 11 9.971 -0.294 -2.172 79 HB3 MET 11 1HB MET 11 8.580 -1.339 -2.426 80 HG2 MET 11 2HG MET 11 9.995 -3.018 -3.457 81 HG3 MET 11 1HG MET 11 11.397 -1.963 -3.298 82 HE1 MET 11 3HE MET 11 8.676 -4.034 -1.346 83 HE2 MET 11 1HE MET 11 8.519 -2.422 -0.653 84 HE3 MET 11 2HE MET 11 9.153 -3.743 0.326 85 H LEU 12 H LEU 12 9.605 1.956 -3.260 86 HA LEU 12 HA LEU 12 6.839 2.667 -3.073 87 HB2 LEU 12 2HB LEU 12 9.364 4.269 -2.676 88 HB3 LEU 12 1HB LEU 12 7.768 4.984 -2.545 89 HG LEU 12 HG LEU 12 7.247 3.335 -0.724 90 HD11 LEU 12 1HD1 LEU 12 8.876 1.614 -1.257 91 HD12 LEU 12 2HD1 LEU 12 9.118 2.202 0.387 92 HD13 LEU 12 3HD1 LEU 12 10.199 2.727 -0.903 93 HD21 LEU 12 3HD2 LEU 12 8.503 4.524 0.992 94 HD22 LEU 12 1HD2 LEU 12 7.904 5.638 -0.235 95 HD23 LEU 12 2HD2 LEU 12 9.602 5.160 -0.232 96 HA PRO 13 HA PRO 13 7.793 5.453 -6.961 97 HB2 PRO 13 2HB PRO 13 9.844 4.542 -8.547 98 HB3 PRO 13 1HB PRO 13 10.028 5.832 -7.353 99 HG2 PRO 13 2HG PRO 13 10.699 2.921 -7.115 100 HG3 PRO 13 1HG PRO 13 11.640 4.330 -6.591 101 HD2 PRO 13 2HD PRO 13 10.188 2.873 -4.857 102 HD3 PRO 13 1HD PRO 13 10.349 4.634 -4.683 103 HA PRO 14 HA PRO 14 5.397 2.459 -9.216 104 HB2 PRO 14 2HB PRO 14 5.736 4.162 -11.622 105 HB3 PRO 14 1HB PRO 14 4.258 3.681 -10.780 106 HG2 PRO 14 2HG PRO 14 5.191 6.183 -10.599 107 HG3 PRO 14 1HG PRO 14 4.445 5.378 -9.206 108 HD2 PRO 14 2HD PRO 14 7.357 5.806 -9.809 109 HD3 PRO 14 1HD PRO 14 6.488 5.985 -8.268 110 H GLU 15 H GLU 15 7.421 1.055 -9.040 111 HA GLU 15 HA GLU 15 8.300 0.334 -11.756 112 HB2 GLU 15 2HB GLU 15 10.082 0.574 -9.321 113 HB3 GLU 15 1HB GLU 15 10.563 -0.219 -10.815 114 HG2 GLU 15 2HG GLU 15 10.318 1.875 -12.033 115 HG3 GLU 15 1HG GLU 15 9.769 2.680 -10.562 116 H GLN 16 H GLN 16 9.210 -1.044 -8.590 117 HA GLN 16 HA GLN 16 8.343 -3.661 -9.587 118 HB2 GLN 16 2HB GLN 16 10.650 -3.440 -8.744 119 HB3 GLN 16 1HB GLN 16 10.032 -2.961 -7.171 120 HG2 GLN 16 2HG GLN 16 10.761 -5.290 -7.190 121 HG3 GLN 16 1HG GLN 16 9.034 -5.157 -6.861 122 HE21 GLN 16 1HE2 GLN 16 7.572 -5.936 -8.369 123 HE22 GLN 16 2HE2 GLN 16 8.047 -6.923 -9.701 124 H TRP 17 H TRP 17 6.063 -3.020 -9.282 125 HA TRP 17 HA TRP 17 5.171 -3.093 -6.492 126 HB2 TRP 17 2HB TRP 17 3.856 -2.189 -9.039 127 HB3 TRP 17 1HB TRP 17 2.883 -2.572 -7.617 128 HD1 TRP 17 HD TRP 17 5.194 0.098 -9.006 129 HE1 TRP 17 HE1 TRP 17 5.298 2.065 -7.343 130 HE3 TRP 17 HE3 TRP 17 2.761 -2.040 -5.051 131 HZ2 TRP 17 HZ2 TRP 17 4.457 2.632 -4.718 132 HZ3 TRP 17 HZ3 TRP 17 2.454 -0.718 -2.999 133 HH2 TRP 17 HH TRP 17 3.288 1.572 -2.837 134 H SER 18 H SER 18 5.445 -5.214 -5.994 135 HA SER 18 HA SER 18 3.809 -7.204 -7.418 136 HB2 SER 18 2HB SER 18 5.894 -7.621 -5.248 137 HB3 SER 18 1HB SER 18 5.088 -8.886 -6.176 138 HG SER 18 HG SER 18 7.232 -8.272 -6.927 139 H HIS 19 H HIS 19 2.869 -8.927 -5.795 140 HA HIS 19 HA HIS 19 0.835 -7.779 -4.279 141 HB2 HIS 19 2HB HIS 19 2.070 -10.535 -4.116 142 HB3 HIS 19 1HB HIS 19 0.637 -10.074 -3.205 143 HD1 HIS 19 HD1 HIS 19 1.787 -10.387 -6.820 144 HD2 HIS 19 HD2 HIS 19 -1.703 -10.364 -4.566 145 HE1 HIS 19 HE1 HIS 19 -0.045 -10.980 -8.417 146 HE2 HIS 19 HE2 HIS 19 -2.083 -11.226 -6.972 147 H THR 20 H THR 20 3.976 -9.026 -3.172 148 HA THR 20 HA THR 20 3.614 -8.501 -0.417 149 HB THR 20 HB THR 20 6.229 -8.593 -1.954 150 HG1 THR 20 HG1 THR 20 6.038 -10.850 -0.861 151 HG21 THR 20 3HG2 THR 20 6.456 -7.638 0.302 152 HG22 THR 20 1HG2 THR 20 7.224 -9.223 0.195 153 HG23 THR 20 2HG2 THR 20 5.655 -9.055 0.984 154 H THR 21 H THR 21 4.931 -6.508 -3.041 155 HA THR 21 HA THR 21 6.032 -4.411 -1.564 156 HB THR 21 HB THR 21 4.597 -4.064 -4.212 157 HG1 THR 21 HG1 THR 21 7.107 -4.338 -4.734 158 HG21 THR 21 3HG2 THR 21 5.271 -1.966 -3.138 159 HG22 THR 21 1HG2 THR 21 6.248 -2.279 -4.574 160 HG23 THR 21 2HG2 THR 21 6.919 -2.574 -2.970 161 H VAL 22 H VAL 22 2.703 -4.811 -2.742 162 HA VAL 22 HA VAL 22 1.665 -2.355 -1.848 163 HB VAL 22 HB VAL 22 0.192 -4.988 -2.141 164 HG11 VAL 22 1HG1 VAL 22 -1.805 -3.592 -2.470 165 HG12 VAL 22 2HG1 VAL 22 -0.850 -2.150 -2.132 166 HG13 VAL 22 3HG1 VAL 22 -1.101 -3.358 -0.870 167 HG21 VAL 22 3HG2 VAL 22 1.357 -4.404 -4.198 168 HG22 VAL 22 1HG2 VAL 22 0.660 -2.784 -4.157 169 HG23 VAL 22 2HG2 VAL 22 -0.382 -4.186 -4.400 170 H ARG 23 H ARG 23 1.620 -5.559 -0.253 171 HA ARG 23 HA ARG 23 0.252 -4.784 2.072 172 HB2 ARG 23 2HB ARG 23 0.581 -7.133 1.413 173 HB3 ARG 23 1HB ARG 23 2.303 -6.987 1.741 174 HG2 ARG 23 2HG ARG 23 1.796 -6.556 4.116 175 HG3 ARG 23 1HG ARG 23 0.077 -6.750 3.769 176 HD2 ARG 23 2HD ARG 23 2.194 -8.871 3.361 177 HD3 ARG 23 1HD ARG 23 1.092 -8.786 4.736 178 HE ARG 23 HE ARG 23 -0.484 -8.814 2.460 179 HH11 ARG 23 1HH1 ARG 23 1.754 -10.906 4.038 180 HH12 ARG 23 2HH1 ARG 23 1.042 -12.340 3.381 181 HH21 ARG 23 1HH2 ARG 23 -1.424 -10.676 1.669 182 HH22 ARG 23 2HH2 ARG 23 -0.754 -12.214 2.080 183 H ASN 24 H ASN 24 3.736 -4.837 1.371 184 HA ASN 24 HA ASN 24 4.654 -4.153 3.947 185 HB2 ASN 24 2HB ASN 24 6.138 -5.047 2.211 186 HB3 ASN 24 1HB ASN 24 5.920 -3.589 1.250 187 HD21 ASN 24 1HD2 ASN 24 7.020 -1.732 1.813 188 HD22 ASN 24 2HD2 ASN 24 8.261 -1.709 3.013 189 H ALA 25 H ALA 25 3.319 -2.190 1.384 190 HA ALA 25 HA ALA 25 4.164 0.328 2.541 191 HB1 ALA 25 3HB ALA 25 2.191 -0.223 0.319 192 HB2 ALA 25 1HB ALA 25 3.911 0.110 0.120 193 HB3 ALA 25 2HB ALA 25 2.840 1.358 0.756 194 H LEU 26 H LEU 26 1.064 -1.409 2.194 195 HA LEU 26 HA LEU 26 -0.521 0.564 3.471 196 HB2 LEU 26 2HB LEU 26 -1.006 -2.376 2.993 197 HB3 LEU 26 1HB LEU 26 -2.217 -1.290 3.651 198 HG LEU 26 HG LEU 26 -0.949 -1.040 0.913 199 HD11 LEU 26 1HD1 LEU 26 -3.722 -1.931 1.716 200 HD12 LEU 26 2HD1 LEU 26 -2.445 -2.968 1.075 201 HD13 LEU 26 3HD1 LEU 26 -3.142 -1.701 0.067 202 HD21 LEU 26 3HD2 LEU 26 -3.173 0.539 2.220 203 HD22 LEU 26 1HD2 LEU 26 -2.662 0.686 0.538 204 HD23 LEU 26 2HD2 LEU 26 -1.555 1.133 1.837 205 H LYS 27 H LYS 27 1.448 -1.987 4.808 206 HA LYS 27 HA LYS 27 0.011 -2.629 7.090 207 HB2 LYS 27 2HB LYS 27 2.083 -3.497 8.024 208 HB3 LYS 27 1HB LYS 27 1.933 -3.918 6.328 209 HG2 LYS 27 2HG LYS 27 4.103 -3.286 6.291 210 HG3 LYS 27 1HG LYS 27 3.393 -1.688 6.066 211 HD2 LYS 27 2HD LYS 27 5.121 -1.576 7.758 212 HD3 LYS 27 1HD LYS 27 3.549 -1.312 8.513 213 HE2 LYS 27 2HE LYS 27 4.960 -2.793 9.864 214 HE3 LYS 27 1HE LYS 27 3.518 -3.628 9.289 215 HZ1 LYS 27 3HZ LYS 27 6.208 -3.827 8.043 216 HZ2 LYS 27 1HZ LYS 27 4.824 -4.687 7.582 217 HZ3 LYS 27 2HZ LYS 27 5.533 -4.975 9.088 218 H ASP 28 H ASP 28 2.223 0.133 6.656 219 HA ASP 28 HA ASP 28 2.099 0.905 9.421 220 HB2 ASP 28 2HB ASP 28 3.133 2.281 6.950 221 HB3 ASP 28 1HB ASP 28 3.060 3.113 8.503 222 H LEU 29 H LEU 29 0.314 1.834 6.517 223 HA LEU 29 HA LEU 29 -1.143 3.955 7.744 224 HB2 LEU 29 2HB LEU 29 -1.705 2.264 5.306 225 HB3 LEU 29 1HB LEU 29 -2.777 3.548 5.829 226 HG LEU 29 HG LEU 29 -1.406 4.395 4.054 227 HD11 LEU 29 1HD1 LEU 29 -0.375 5.473 6.675 228 HD12 LEU 29 2HD1 LEU 29 -1.877 5.947 5.881 229 HD13 LEU 29 3HD1 LEU 29 -0.327 6.294 5.115 230 HD21 LEU 29 3HD2 LEU 29 1.026 4.431 4.131 231 HD22 LEU 29 1HD2 LEU 29 0.428 2.775 4.209 232 HD23 LEU 29 2HD2 LEU 29 1.009 3.572 5.671 233 H LEU 30 H LEU 30 -1.699 0.499 7.389 234 HA LEU 30 HA LEU 30 -4.298 0.323 8.448 235 HB2 LEU 30 2HB LEU 30 -3.093 -1.489 7.255 236 HB3 LEU 30 1HB LEU 30 -2.031 -1.670 8.637 237 HG LEU 30 HG LEU 30 -4.107 -2.230 10.001 238 HD11 LEU 30 1HD1 LEU 30 -5.768 -1.316 8.467 239 HD12 LEU 30 2HD1 LEU 30 -6.055 -3.029 8.772 240 HD13 LEU 30 3HD1 LEU 30 -5.317 -2.514 7.253 241 HD21 LEU 30 3HD2 LEU 30 -2.505 -3.928 9.309 242 HD22 LEU 30 1HD2 LEU 30 -3.315 -4.079 7.751 243 HD23 LEU 30 2HD2 LEU 30 -4.150 -4.557 9.228 244 H LYS 31 H LYS 31 -1.136 0.422 9.990 245 HA LYS 31 HA LYS 31 -1.887 -0.172 12.638 246 HB2 LYS 31 2HB LYS 31 0.399 1.428 11.484 247 HB3 LYS 31 1HB LYS 31 0.236 1.130 13.208 248 HG2 LYS 31 2HG LYS 31 0.624 -1.162 12.979 249 HG3 LYS 31 1HG LYS 31 0.271 -1.139 11.250 250 HD2 LYS 31 2HD LYS 31 2.710 -1.365 11.844 251 HD3 LYS 31 1HD LYS 31 2.323 -0.034 10.753 252 HE2 LYS 31 2HE LYS 31 2.370 1.517 12.679 253 HE3 LYS 31 1HE LYS 31 2.820 0.174 13.729 254 HZ1 LYS 31 3HZ LYS 31 4.408 1.064 11.386 255 HZ2 LYS 31 1HZ LYS 31 4.857 -0.090 12.538 256 HZ3 LYS 31 2HZ LYS 31 4.715 1.539 12.980 257 H ASP 32 H ASP 32 -1.980 2.843 10.819 258 HA ASP 32 HA ASP 32 -2.604 4.365 13.246 259 HB2 ASP 32 2HB ASP 32 -0.842 5.254 11.812 260 HB3 ASP 32 1HB ASP 32 -1.952 5.300 10.443 261 H MET 33 H MET 33 -3.881 4.141 9.908 262 HA MET 33 HA MET 33 -6.304 5.505 10.664 263 HB2 MET 33 2HB MET 33 -5.253 5.861 8.456 264 HB3 MET 33 1HB MET 33 -5.560 4.180 8.046 265 HG2 MET 33 2HG MET 33 -7.981 4.592 8.256 266 HG3 MET 33 1HG MET 33 -7.641 6.287 8.601 267 HE1 MET 33 3HE MET 33 -6.037 7.460 5.198 268 HE2 MET 33 1HE MET 33 -5.157 6.790 6.572 269 HE3 MET 33 2HE MET 33 -6.470 7.935 6.840 270 H ASN 34 H ASN 34 -8.333 4.659 10.926 271 HA ASN 34 HA ASN 34 -8.666 1.992 11.722 272 HB2 ASN 34 2HB ASN 34 -10.742 3.995 10.797 273 HB3 ASN 34 1HB ASN 34 -11.119 2.463 11.581 274 HD21 ASN 34 1HD2 ASN 34 -9.819 5.654 12.009 275 HD22 ASN 34 2HD2 ASN 34 -9.810 5.629 13.735 276 H GLN 35 H GLN 35 -9.309 0.149 10.713 277 HA GLN 35 HA GLN 35 -8.605 -0.326 8.090 278 HB2 GLN 35 2HB GLN 35 -10.609 -1.883 9.741 279 HB3 GLN 35 1HB GLN 35 -9.764 -2.485 8.320 280 HG2 GLN 35 2HG GLN 35 -7.631 -2.293 9.478 281 HG3 GLN 35 1HG GLN 35 -8.442 -1.627 10.893 282 HE21 GLN 35 1HE2 GLN 35 -7.827 -4.494 9.030 283 HE22 GLN 35 2HE2 GLN 35 -8.411 -5.623 10.201 284 H SER 36 H SER 36 -11.889 0.307 9.320 285 HA SER 36 HA SER 36 -13.191 -0.132 6.829 286 HB2 SER 36 2HB SER 36 -14.151 1.417 9.252 287 HB3 SER 36 1HB SER 36 -15.166 0.886 7.910 288 HG SER 36 HG SER 36 -15.274 -0.574 9.663 289 H SER 37 H SER 37 -11.261 2.467 7.834 290 HA SER 37 HA SER 37 -12.617 4.391 6.061 291 HB2 SER 37 2HB SER 37 -12.066 5.213 8.308 292 HB3 SER 37 1HB SER 37 -10.363 4.842 8.036 293 HG SER 37 HG SER 37 -10.191 6.705 7.098 294 H LEU 38 H LEU 38 -9.617 2.619 6.428 295 HA LEU 38 HA LEU 38 -7.909 3.949 4.713 296 HB2 LEU 38 2HB LEU 38 -7.483 1.927 6.222 297 HB3 LEU 38 1HB LEU 38 -8.081 0.937 4.908 298 HG LEU 38 HG LEU 38 -5.572 1.073 5.111 299 HD11 LEU 38 1HD1 LEU 38 -5.140 1.292 2.726 300 HD12 LEU 38 2HD1 LEU 38 -6.710 2.060 2.495 301 HD13 LEU 38 3HD1 LEU 38 -6.619 0.378 3.017 302 HD21 LEU 38 3HD2 LEU 38 -5.372 3.415 5.742 303 HD22 LEU 38 1HD2 LEU 38 -6.006 3.914 4.173 304 HD23 LEU 38 2HD2 LEU 38 -4.449 3.090 4.276 305 H ALA 39 H ALA 39 -10.385 1.548 3.870 306 HA ALA 39 HA ALA 39 -9.639 1.334 1.123 307 HB1 ALA 39 3HB ALA 39 -11.648 -0.011 0.877 308 HB2 ALA 39 1HB ALA 39 -12.213 0.520 2.462 309 HB3 ALA 39 2HB ALA 39 -10.761 -0.471 2.331 310 H LYS 40 H LYS 40 -10.974 3.954 2.585 311 HA LYS 40 HA LYS 40 -12.985 4.591 0.598 312 HB2 LYS 40 2HB LYS 40 -11.815 6.238 2.850 313 HB3 LYS 40 1HB LYS 40 -13.128 6.770 1.806 314 HG2 LYS 40 2HG LYS 40 -14.522 4.936 2.589 315 HG3 LYS 40 1HG LYS 40 -13.205 4.354 3.610 316 HD2 LYS 40 2HD LYS 40 -13.278 6.403 4.918 317 HD3 LYS 40 1HD LYS 40 -14.522 7.066 3.857 318 HE2 LYS 40 2HE LYS 40 -14.805 4.607 5.592 319 HE3 LYS 40 1HE LYS 40 -15.482 6.198 5.941 320 HZ1 LYS 40 3HZ LYS 40 -16.166 4.511 3.596 321 HZ2 LYS 40 1HZ LYS 40 -16.825 6.029 3.941 322 HZ3 LYS 40 2HZ LYS 40 -17.128 4.721 4.967 323 H GLU 41 H GLU 41 -9.598 5.258 1.108 324 HA GLU 41 HA GLU 41 -9.580 7.183 -1.113 325 HB2 GLU 41 2HB GLU 41 -7.403 6.395 0.836 326 HB3 GLU 41 1HB GLU 41 -7.170 7.512 -0.501 327 HG2 GLU 41 2HG GLU 41 -8.983 8.938 0.482 328 HG3 GLU 41 1HG GLU 41 -8.967 7.878 1.890 329 H CYS 42 H CYS 42 -8.026 4.122 -0.160 330 HA CYS 42 HA CYS 42 -6.752 3.771 -2.724 331 HB2 CYS 42 2HB CYS 42 -5.980 1.643 -1.849 332 HB3 CYS 42 1HB CYS 42 -5.763 2.888 -0.624 333 HG CYS 42 HG CYS 42 -8.686 1.320 -0.339 334 HA PRO 43 HA PRO 43 -10.211 1.744 -4.723 335 HB2 PRO 43 2HB PRO 43 -8.928 0.717 -6.870 336 HB3 PRO 43 1HB PRO 43 -9.202 2.455 -6.687 337 HG2 PRO 43 2HG PRO 43 -6.731 0.855 -6.086 338 HG3 PRO 43 1HG PRO 43 -6.876 2.400 -6.947 339 HD2 PRO 43 2HD PRO 43 -6.146 2.233 -4.334 340 HD3 PRO 43 1HD PRO 43 -7.049 3.615 -4.990 341 H LEU 44 H LEU 44 -9.510 0.291 -2.543 342 HA LEU 44 HA LEU 44 -9.309 -2.484 -3.530 343 HB2 LEU 44 2HB LEU 44 -8.158 -1.420 -0.939 344 HB3 LEU 44 1HB LEU 44 -8.074 -3.078 -1.500 345 HG LEU 44 HG LEU 44 -6.718 -0.712 -2.814 346 HD11 LEU 44 1HD1 LEU 44 -4.643 -1.715 -2.012 347 HD12 LEU 44 2HD1 LEU 44 -5.562 -2.977 -1.188 348 HD13 LEU 44 3HD1 LEU 44 -5.709 -1.298 -0.670 349 HD21 LEU 44 3HD2 LEU 44 -7.351 -2.425 -4.435 350 HD22 LEU 44 1HD2 LEU 44 -6.554 -3.656 -3.455 351 HD23 LEU 44 2HD2 LEU 44 -5.603 -2.375 -4.209 352 H SER 45 H SER 45 -10.890 -3.842 -2.811 353 HA SER 45 HA SER 45 -13.115 -2.922 -1.351 354 HB2 SER 45 2HB SER 45 -12.186 -5.762 -1.879 355 HB3 SER 45 1HB SER 45 -13.760 -5.339 -1.206 356 HG SER 45 HG SER 45 -14.385 -4.528 -3.107 357 H GLN 46 H GLN 46 -13.389 -2.602 0.763 358 HA GLN 46 HA GLN 46 -11.364 -2.727 2.634 359 HB2 GLN 46 2HB GLN 46 -13.449 -1.373 2.779 360 HB3 GLN 46 1HB GLN 46 -14.337 -2.826 3.201 361 HG2 GLN 46 2HG GLN 46 -12.001 -2.009 4.879 362 HG3 GLN 46 1HG GLN 46 -13.529 -1.150 5.046 363 HE21 GLN 46 1HE2 GLN 46 -11.866 -4.153 5.583 364 HE22 GLN 46 2HE2 GLN 46 -13.098 -4.886 6.544 365 H SER 47 H SER 47 -13.970 -5.104 2.132 366 HA SER 47 HA SER 47 -13.341 -6.863 4.216 367 HB2 SER 47 2HB SER 47 -15.416 -7.077 2.947 368 HB3 SER 47 1HB SER 47 -14.514 -7.498 1.492 369 HG SER 47 HG SER 47 -14.848 -9.004 3.871 370 H MET 48 H MET 48 -11.950 -6.623 0.968 371 HA MET 48 HA MET 48 -10.385 -8.992 1.132 372 HB2 MET 48 2HB MET 48 -10.045 -6.507 -0.560 373 HB3 MET 48 1HB MET 48 -9.031 -7.934 -0.713 374 HG2 MET 48 2HG MET 48 -11.092 -9.254 -1.210 375 HG3 MET 48 1HG MET 48 -11.986 -7.733 -1.235 376 HE1 MET 48 3HE MET 48 -12.821 -8.393 -3.705 377 HE2 MET 48 1HE MET 48 -11.851 -9.865 -3.680 378 HE3 MET 48 2HE MET 48 -11.726 -8.748 -5.040 379 H ILE 49 H ILE 49 -9.656 -5.578 1.836 380 HA ILE 49 HA ILE 49 -6.937 -5.763 2.353 381 HB ILE 49 HB ILE 49 -8.954 -4.006 3.777 382 HG12 ILE 49 2HG1 ILE 49 -7.238 -3.470 1.329 383 HG13 ILE 49 1HG1 ILE 49 -8.978 -3.737 1.321 384 HG21 ILE 49 1HG2 ILE 49 -6.863 -4.092 5.019 385 HG22 ILE 49 2HG2 ILE 49 -7.043 -2.518 4.246 386 HG23 ILE 49 3HG2 ILE 49 -5.952 -3.721 3.554 387 HD11 ILE 49 3HD1 ILE 49 -8.481 -1.387 1.110 388 HD12 ILE 49 1HD1 ILE 49 -7.530 -1.422 2.593 389 HD13 ILE 49 2HD1 ILE 49 -9.272 -1.690 2.655 390 H SER 50 H SER 50 -9.589 -6.084 4.733 391 HA SER 50 HA SER 50 -7.951 -6.740 6.941 392 HB2 SER 50 2HB SER 50 -10.110 -7.651 7.915 393 HB3 SER 50 1HB SER 50 -10.186 -5.980 7.356 394 HG SER 50 HG SER 50 -11.847 -7.772 6.692 395 H SER 51 H SER 51 -9.703 -8.792 4.618 396 HA SER 51 HA SER 51 -9.029 -11.284 5.727 397 HB2 SER 51 2HB SER 51 -9.643 -10.525 2.862 398 HB3 SER 51 1HB SER 51 -9.462 -12.189 3.413 399 HG SER 51 HG SER 51 -11.493 -10.335 3.950 400 H ILE 52 H ILE 52 -7.213 -9.207 3.515 401 HA ILE 52 HA ILE 52 -5.157 -11.061 2.878 402 HB ILE 52 HB ILE 52 -5.156 -8.032 2.878 403 HG12 ILE 52 2HG1 ILE 52 -5.301 -10.034 0.600 404 HG13 ILE 52 1HG1 ILE 52 -6.668 -9.135 1.246 405 HG21 ILE 52 1HG2 ILE 52 -3.099 -8.168 1.520 406 HG22 ILE 52 2HG2 ILE 52 -3.040 -9.908 1.806 407 HG23 ILE 52 3HG2 ILE 52 -2.863 -8.786 3.155 408 HD11 ILE 52 3HD1 ILE 52 -5.904 -8.122 -0.795 409 HD12 ILE 52 1HD1 ILE 52 -4.268 -7.981 -0.154 410 HD13 ILE 52 2HD1 ILE 52 -5.576 -7.036 0.556 411 H VAL 53 H VAL 53 -5.480 -8.617 5.428 412 HA VAL 53 HA VAL 53 -2.867 -8.926 6.495 413 HB VAL 53 HB VAL 53 -5.365 -7.907 7.870 414 HG11 VAL 53 1HG1 VAL 53 -2.451 -7.557 8.609 415 HG12 VAL 53 2HG1 VAL 53 -3.647 -8.502 9.495 416 HG13 VAL 53 3HG1 VAL 53 -3.812 -6.751 9.393 417 HG21 VAL 53 3HG2 VAL 53 -4.842 -6.652 5.838 418 HG22 VAL 53 1HG2 VAL 53 -3.187 -6.410 6.398 419 HG23 VAL 53 2HG2 VAL 53 -4.532 -5.675 7.273 420 H ASN 54 H ASN 54 -6.013 -10.187 7.647 421 HA ASN 54 HA ASN 54 -4.708 -11.759 9.702 422 HB2 ASN 54 2HB ASN 54 -7.615 -11.543 8.888 423 HB3 ASN 54 1HB ASN 54 -7.031 -12.482 10.262 424 HD21 ASN 54 1HD2 ASN 54 -6.242 -11.405 12.070 425 HD22 ASN 54 2HD2 ASN 54 -6.543 -9.727 12.342 426 H SER 55 H SER 55 -5.356 -12.305 6.440 427 HA SER 55 HA SER 55 -5.398 -14.144 5.090 428 HB2 SER 55 2HB SER 55 -3.823 -15.289 7.414 429 HB3 SER 55 1HB SER 55 -4.022 -16.115 5.868 430 HG SER 55 HG SER 55 -2.426 -13.964 6.540 431 H THR 56 H THR 56 -7.769 -13.801 6.353 432 HA THR 56 HA THR 56 -8.733 -16.013 7.845 433 HB THR 56 HB THR 56 -11.011 -15.146 7.278 434 HG1 THR 56 HG1 THR 56 -10.987 -13.089 6.076 435 HG21 THR 56 3HG2 THR 56 -10.760 -12.970 8.403 436 HG22 THR 56 1HG2 THR 56 -9.019 -13.039 8.136 437 HG23 THR 56 2HG2 THR 56 -9.793 -14.217 9.194 438 H TYR 57 H TYR 57 -9.785 -15.122 4.552 439 HA TYR 57 HA TYR 57 -9.585 -17.935 3.723 440 HB2 TYR 57 2HB TYR 57 -11.887 -17.778 2.701 441 HB3 TYR 57 1HB TYR 57 -11.860 -17.804 4.460 442 HD1 TYR 57 HD1 TYR 57 -12.305 -15.595 1.507 443 HD2 TYR 57 HD2 TYR 57 -12.744 -15.989 5.729 444 HE1 TYR 57 HE1 TYR 57 -13.630 -13.523 1.559 445 HE2 TYR 57 HE2 TYR 57 -14.066 -13.920 5.790 446 HH TYR 57 HH TYR 57 -15.285 -12.419 2.972 447 H TYR 58 H TYR 58 -8.429 -15.099 3.054 448 HA TYR 58 HA TYR 58 -9.207 -14.783 0.272 449 HB2 TYR 58 2HB TYR 58 -8.740 -12.873 1.918 450 HB3 TYR 58 1HB TYR 58 -7.034 -13.243 1.691 451 HD1 TYR 58 HD1 TYR 58 -10.123 -12.368 -0.206 452 HD2 TYR 58 HD2 TYR 58 -5.864 -12.273 -0.116 453 HE1 TYR 58 HE1 TYR 58 -10.116 -10.952 -2.214 454 HE2 TYR 58 HE2 TYR 58 -5.851 -10.852 -2.125 455 HH TYR 58 HH TYR 58 -8.749 -9.425 -3.375 456 H ALA 59 H ALA 59 -8.393 -16.319 -1.042 457 HA ALA 59 HA ALA 59 -5.473 -16.750 -1.032 458 HB1 ALA 59 3HB ALA 59 -5.826 -19.108 -1.541 459 HB2 ALA 59 1HB ALA 59 -7.573 -18.874 -1.475 460 HB3 ALA 59 2HB ALA 59 -6.601 -18.673 -0.017 461 H ASN 60 H ASN 60 -4.580 -16.134 -2.881 462 HA ASN 60 HA ASN 60 -4.089 -16.004 -5.098 463 HB2 ASN 60 2HB ASN 60 -4.966 -18.303 -5.275 464 HB3 ASN 60 1HB ASN 60 -6.584 -17.659 -5.540 465 HD21 ASN 60 1HD2 ASN 60 -3.459 -18.188 -6.920 466 HD22 ASN 60 2HD2 ASN 60 -3.889 -17.805 -8.546 467 H VAL 61 H VAL 61 -4.264 -14.175 -6.216 468 HA VAL 61 HA VAL 61 -6.847 -13.196 -7.119 469 HB VAL 61 HB VAL 61 -6.648 -12.138 -4.910 470 HG11 VAL 61 1HG1 VAL 61 -4.229 -12.116 -4.676 471 HG12 VAL 61 2HG1 VAL 61 -4.883 -10.495 -4.448 472 HG13 VAL 61 3HG1 VAL 61 -4.092 -10.921 -5.967 473 HG21 VAL 61 3HG2 VAL 61 -7.796 -10.918 -6.682 474 HG22 VAL 61 1HG2 VAL 61 -6.273 -10.181 -7.185 475 HG23 VAL 61 2HG2 VAL 61 -6.959 -9.803 -5.603 476 H SER 62 H SER 62 -6.690 -11.714 -8.880 477 HA SER 62 HA SER 62 -4.498 -12.054 -10.598 478 HB2 SER 62 2HB SER 62 -6.636 -11.460 -11.528 479 HB3 SER 62 1HB SER 62 -6.669 -9.947 -10.619 480 HG SER 62 HG SER 62 -5.490 -10.502 -13.009 481 H ALA 63 H ALA 63 -2.827 -10.724 -11.266 482 HA ALA 63 HA ALA 63 -1.577 -9.110 -9.299 483 HB1 ALA 63 3HB ALA 63 0.124 -8.683 -10.996 484 HB2 ALA 63 1HB ALA 63 -0.937 -9.339 -12.243 485 HB3 ALA 63 2HB ALA 63 -0.317 -10.392 -10.971 486 H ALA 64 H ALA 64 -3.918 -8.402 -11.709 487 HA ALA 64 HA ALA 64 -3.432 -5.808 -12.485 488 HB1 ALA 64 3HB ALA 64 -5.298 -7.182 -13.303 489 HB2 ALA 64 1HB ALA 64 -5.828 -5.573 -12.816 490 HB3 ALA 64 2HB ALA 64 -6.129 -6.957 -11.764 491 H LYS 65 H LYS 65 -4.726 -6.913 -9.397 492 HA LYS 65 HA LYS 65 -5.598 -4.496 -8.314 493 HB2 LYS 65 2HB LYS 65 -6.058 -6.616 -7.234 494 HB3 LYS 65 1HB LYS 65 -4.346 -6.893 -6.951 495 HG2 LYS 65 2HG LYS 65 -4.270 -5.039 -5.385 496 HG3 LYS 65 1HG LYS 65 -5.958 -4.656 -5.719 497 HD2 LYS 65 2HD LYS 65 -4.992 -7.275 -4.551 498 HD3 LYS 65 1HD LYS 65 -5.610 -5.924 -3.599 499 HE2 LYS 65 2HE LYS 65 -7.143 -7.439 -5.720 500 HE3 LYS 65 1HE LYS 65 -7.331 -7.629 -3.976 501 HZ1 LYS 65 3HZ LYS 65 -9.043 -6.198 -4.823 502 HZ2 LYS 65 1HZ LYS 65 -7.910 -5.177 -5.555 503 HZ3 LYS 65 2HZ LYS 65 -7.996 -5.283 -3.872 504 H CYS 66 H CYS 66 -2.326 -5.878 -8.366 505 HA CYS 66 HA CYS 66 -1.134 -3.873 -6.731 506 HB2 CYS 66 2HB CYS 66 0.133 -5.750 -8.745 507 HB3 CYS 66 1HB CYS 66 1.022 -4.759 -7.594 508 HG CYS 66 HG CYS 66 0.586 -6.192 -5.442 509 H GLN 67 H GLN 67 -1.442 -4.237 -10.246 510 HA GLN 67 HA GLN 67 0.122 -1.973 -10.941 511 HB2 GLN 67 2HB GLN 67 -1.913 -3.641 -12.390 512 HB3 GLN 67 1HB GLN 67 -1.316 -2.159 -13.123 513 HG2 GLN 67 2HG GLN 67 -0.101 -4.137 -13.899 514 HG3 GLN 67 1HG GLN 67 0.951 -2.991 -13.074 515 HE21 GLN 67 1HE2 GLN 67 1.781 -3.540 -11.031 516 HE22 GLN 67 2HE2 GLN 67 1.799 -5.172 -10.467 517 H GLU 68 H GLU 68 -3.396 -2.372 -10.510 518 HA GLU 68 HA GLU 68 -4.087 0.313 -11.074 519 HB2 GLU 68 2HB GLU 68 -5.500 -1.717 -9.323 520 HB3 GLU 68 1HB GLU 68 -6.201 -0.199 -9.868 521 HG2 GLU 68 2HG GLU 68 -5.263 -2.396 -11.714 522 HG3 GLU 68 1HG GLU 68 -6.924 -2.192 -11.165 523 H PHE 69 H PHE 69 -3.197 -1.318 -8.044 524 HA PHE 69 HA PHE 69 -3.547 0.898 -6.333 525 HB2 PHE 69 2HB PHE 69 -3.235 -1.425 -5.527 526 HB3 PHE 69 1HB PHE 69 -1.557 -1.374 -6.052 527 HD1 PHE 69 HD1 PHE 69 -3.992 0.012 -3.648 528 HD2 PHE 69 HD2 PHE 69 0.120 -0.296 -4.731 529 HE1 PHE 69 HE1 PHE 69 -3.349 0.954 -1.468 530 HE2 PHE 69 HE2 PHE 69 0.766 0.649 -2.550 531 HZ PHE 69 HZ PHE 69 -0.967 1.272 -0.917 532 H GLY 70 H GLY 70 -0.751 -0.184 -8.242 533 HA2 GLY 70 2HA GLY 70 1.117 1.740 -7.422 534 HA3 GLY 70 1HA GLY 70 1.099 0.954 -8.993 535 H ARG 71 H ARG 71 -1.304 1.898 -10.032 536 HA ARG 71 HA ARG 71 -0.746 4.444 -11.034 537 HB2 ARG 71 2HB ARG 71 -2.455 2.757 -11.909 538 HB3 ARG 71 1HB ARG 71 -3.541 3.337 -10.654 539 HG2 ARG 71 2HG ARG 71 -2.992 5.687 -11.739 540 HG3 ARG 71 1HG ARG 71 -2.609 4.690 -13.142 541 HD2 ARG 71 2HD ARG 71 -5.235 4.832 -11.660 542 HD3 ARG 71 1HD ARG 71 -4.899 5.423 -13.283 543 HE ARG 71 HE ARG 71 -4.637 2.554 -12.751 544 HH11 ARG 71 1HH1 ARG 71 -6.257 5.156 -14.318 545 HH12 ARG 71 2HH1 ARG 71 -7.255 4.114 -15.267 546 HH21 ARG 71 1HH2 ARG 71 -5.946 1.218 -13.957 547 HH22 ARG 71 2HH2 ARG 71 -7.086 1.911 -15.055 548 H TRP 72 H TRP 72 -2.825 3.470 -8.339 549 HA TRP 72 HA TRP 72 -3.713 6.043 -7.585 550 HB2 TRP 72 2HB TRP 72 -4.851 4.003 -6.874 551 HB3 TRP 72 1HB TRP 72 -3.437 3.507 -5.950 552 HD1 TRP 72 HD TRP 72 -6.235 6.161 -5.900 553 HE1 TRP 72 HE1 TRP 72 -6.535 6.967 -3.478 554 HE3 TRP 72 HE3 TRP 72 -2.312 3.699 -3.736 555 HZ2 TRP 72 HZ2 TRP 72 -5.268 6.611 -0.975 556 HZ3 TRP 72 HZ3 TRP 72 -1.923 3.983 -1.325 557 HH2 TRP 72 HH TRP 72 -3.372 5.413 0.028 558 H TYR 73 H TYR 73 -1.006 4.050 -6.418 559 HA TYR 73 HA TYR 73 -0.219 5.725 -4.304 560 HB2 TYR 73 2HB TYR 73 0.474 3.319 -4.668 561 HB3 TYR 73 1HB TYR 73 1.612 3.902 -5.879 562 HD1 TYR 73 HD1 TYR 73 0.824 3.799 -2.286 563 HD2 TYR 73 HD2 TYR 73 3.639 5.067 -5.221 564 HE1 TYR 73 HE1 TYR 73 2.483 4.201 -0.519 565 HE2 TYR 73 HE2 TYR 73 5.302 5.466 -3.460 566 HH TYR 73 HH TYR 73 5.396 5.900 -1.087 567 H LYS 74 H LYS 74 0.651 5.751 -7.730 568 HA LYS 74 HA LYS 74 2.707 7.663 -7.640 569 HB2 LYS 74 2HB LYS 74 2.129 6.340 -9.646 570 HB3 LYS 74 1HB LYS 74 0.636 7.256 -9.817 571 HG2 LYS 74 2HG LYS 74 1.844 9.265 -10.314 572 HG3 LYS 74 1HG LYS 74 3.382 8.503 -9.908 573 HD2 LYS 74 2HD LYS 74 3.129 8.628 -12.323 574 HD3 LYS 74 1HD LYS 74 3.095 6.944 -11.801 575 HE2 LYS 74 2HE LYS 74 0.602 7.037 -11.894 576 HE3 LYS 74 1HE LYS 74 0.730 8.663 -12.563 577 HZ1 LYS 74 3HZ LYS 74 0.447 7.057 -14.312 578 HZ2 LYS 74 1HZ LYS 74 1.788 6.172 -13.787 579 HZ3 LYS 74 2HZ LYS 74 1.995 7.725 -14.423 580 H HIS 75 H HIS 75 -0.803 8.046 -7.635 581 HA HIS 75 HA HIS 75 -0.724 10.936 -7.628 582 HB2 HIS 75 2HB HIS 75 -2.993 9.070 -6.873 583 HB3 HIS 75 1HB HIS 75 -3.135 10.793 -7.197 584 HD1 HIS 75 HD1 HIS 75 -3.670 7.661 -8.771 585 HD2 HIS 75 HD2 HIS 75 -2.194 11.335 -10.027 586 HE1 HIS 75 HE1 HIS 75 -3.868 7.640 -11.264 587 HE2 HIS 75 HE2 HIS 75 -3.110 9.924 -11.995 588 H PHE 76 H PHE 76 -0.839 8.360 -5.252 589 HA PHE 76 HA PHE 76 -1.499 9.817 -2.948 590 HB2 PHE 76 2HB PHE 76 -1.491 7.357 -3.069 591 HB3 PHE 76 1HB PHE 76 0.260 7.364 -3.221 592 HD1 PHE 76 HD2 PHE 76 -2.469 8.452 -0.928 593 HD2 PHE 76 HD1 PHE 76 1.570 7.151 -1.315 594 HE1 PHE 76 HE2 PHE 76 -2.276 8.320 1.521 595 HE2 PHE 76 HE1 PHE 76 1.766 7.017 1.131 596 HZ PHE 76 HZ PHE 76 -0.162 7.603 2.554 597 H LYS 77 H LYS 77 1.654 9.249 -4.494 598 HA LYS 77 HA LYS 77 3.034 10.890 -2.538 599 HB2 LYS 77 2HB LYS 77 4.012 9.791 -5.186 600 HB3 LYS 77 1HB LYS 77 5.009 10.631 -4.006 601 HG2 LYS 77 2HG LYS 77 4.222 8.771 -2.377 602 HG3 LYS 77 1HG LYS 77 3.789 7.902 -3.849 603 HD2 LYS 77 2HD LYS 77 6.537 8.928 -3.096 604 HD3 LYS 77 1HD LYS 77 6.011 7.247 -3.101 605 HE2 LYS 77 2HE LYS 77 7.168 7.387 -5.097 606 HE3 LYS 77 1HE LYS 77 5.514 7.686 -5.624 607 HZ1 LYS 77 3HZ LYS 77 5.959 10.026 -5.697 608 HZ2 LYS 77 1HZ LYS 77 7.147 9.227 -6.592 609 HZ3 LYS 77 2HZ LYS 77 7.503 9.818 -5.049 610 H LYS 78 H LYS 78 1.525 11.325 -5.644 611 HA LYS 78 HA LYS 78 1.050 13.140 -6.910 612 HB2 LYS 78 2HB LYS 78 0.352 14.099 -4.726 613 HB3 LYS 78 1HB LYS 78 1.967 14.750 -4.512 614 HG2 LYS 78 2HG LYS 78 0.376 15.498 -6.939 615 HG3 LYS 78 1HG LYS 78 0.037 16.270 -5.389 616 HD2 LYS 78 2HD LYS 78 2.385 16.993 -5.249 617 HD3 LYS 78 1HD LYS 78 2.709 16.235 -6.809 618 HE2 LYS 78 2HE LYS 78 1.144 17.746 -7.895 619 HE3 LYS 78 1HE LYS 78 0.725 18.464 -6.339 620 HZ1 LYS 78 3HZ LYS 78 2.999 19.253 -6.129 621 HZ2 LYS 78 1HZ LYS 78 2.297 19.827 -7.558 622 HZ3 LYS 78 2HZ LYS 78 3.407 18.556 -7.616 623 H THR 79 H THR 79 2.184 13.758 -8.644 624 HA THR 79 HA THR 79 5.009 14.554 -8.279 625 HB THR 79 HB THR 79 4.021 12.848 -10.583 626 HG1 THR 79 HG1 THR 79 4.050 11.839 -8.393 627 HG21 THR 79 3HG2 THR 79 6.421 12.481 -10.985 628 HG22 THR 79 1HG2 THR 79 6.810 13.566 -9.652 629 HG23 THR 79 2HG2 THR 79 6.005 14.192 -11.093 630 H LYS 80 H LYS 80 3.189 14.250 -11.319 631 HA LYS 80 HA LYS 80 2.479 16.946 -11.651 632 HB2 LYS 80 2HB LYS 80 4.179 17.769 -13.168 633 HB3 LYS 80 1HB LYS 80 4.941 17.303 -11.653 634 HG2 LYS 80 2HG LYS 80 5.726 15.226 -12.657 635 HG3 LYS 80 1HG LYS 80 4.907 15.630 -14.167 636 HD2 LYS 80 2HD LYS 80 7.123 17.255 -12.907 637 HD3 LYS 80 1HD LYS 80 7.339 16.106 -14.227 638 HE2 LYS 80 2HE LYS 80 5.569 18.555 -14.341 639 HE3 LYS 80 1HE LYS 80 7.206 18.465 -14.988 640 HZ1 LYS 80 3HZ LYS 80 4.922 16.780 -15.874 641 HZ2 LYS 80 1HZ LYS 80 6.487 16.751 -16.513 642 HZ3 LYS 80 2HZ LYS 80 5.522 18.126 -16.700 643 H ASP 81 H ASP 81 2.230 17.467 -14.132 644 HA ASP 81 HA ASP 81 0.738 15.440 -15.400 645 HB2 ASP 81 2HB ASP 81 0.338 17.767 -15.934 646 HB3 ASP 81 1HB ASP 81 1.991 17.966 -16.508 647 H MET 82 H MET 82 1.409 13.684 -16.396 648 HA MET 82 HA MET 82 3.468 13.485 -18.290 649 HB2 MET 82 2HB MET 82 4.803 13.774 -16.086 650 HB3 MET 82 1HB MET 82 4.256 12.152 -15.688 651 HG2 MET 82 2HG MET 82 5.879 12.905 -18.115 652 HG3 MET 82 1HG MET 82 6.513 12.177 -16.641 653 HE1 MET 82 3HE MET 82 7.664 10.333 -18.202 654 HE2 MET 82 1HE MET 82 6.937 11.050 -19.641 655 HE3 MET 82 2HE MET 82 6.768 9.321 -19.336 656 H MET 83 H MET 83 1.991 11.674 -15.622 657 HA MET 83 HA MET 83 0.659 9.851 -15.517 658 HB2 MET 83 2HB MET 83 0.137 10.465 -18.435 659 HB3 MET 83 1HB MET 83 -0.818 9.368 -17.445 660 HG2 MET 83 2HG MET 83 -1.427 11.230 -15.975 661 HG3 MET 83 1HG MET 83 -0.477 12.326 -16.975 662 HE1 MET 83 3HE MET 83 -3.498 12.881 -16.230 663 HE2 MET 83 1HE MET 83 -4.154 13.399 -17.783 664 HE3 MET 83 2HE MET 83 -2.557 13.949 -17.272 Start of MODEL 19 1 H1 MET 1 1H MET 1 3.899 -0.779 19.348 2 H2 MET 1 2H MET 1 5.225 -1.572 20.038 3 H3 MET 1 3H MET 1 3.672 -1.833 20.656 4 HA MET 1 HA MET 1 4.383 -3.704 19.334 5 HB2 MET 1 2HB MET 1 2.194 -2.056 18.044 6 HB3 MET 1 1HB MET 1 2.459 -3.769 17.751 7 HG2 MET 1 2HG MET 1 0.661 -3.504 19.303 8 HG3 MET 1 1HG MET 1 2.041 -4.207 20.143 9 HE1 MET 1 3HE MET 1 -0.435 -2.983 21.687 10 HE2 MET 1 1HE MET 1 0.373 -2.050 22.946 11 HE3 MET 1 2HE MET 1 0.981 -3.646 22.505 12 H GLY 2 H GLY 2 4.254 -0.717 17.368 13 HA2 GLY 2 2HA GLY 2 5.534 -2.102 15.132 14 HA3 GLY 2 1HA GLY 2 4.883 -0.474 15.114 15 H HIS 3 H HIS 3 7.565 -2.377 16.503 16 HA HIS 3 HA HIS 3 9.224 -0.036 16.862 17 HB2 HIS 3 2HB HIS 3 9.435 -1.966 18.369 18 HB3 HIS 3 1HB HIS 3 9.921 -2.983 17.018 19 HD1 HIS 3 HD1 HIS 3 12.348 -2.775 16.185 20 HD2 HIS 3 HD2 HIS 3 11.439 -0.204 19.321 21 HE1 HIS 3 HE1 HIS 3 14.546 -1.879 16.976 22 HE2 HIS 3 HE2 HIS 3 13.987 -0.511 19.005 23 H HIS 4 H HIS 4 9.285 -2.847 14.676 24 HA HIS 4 HA HIS 4 10.148 -3.197 12.612 25 HB2 HIS 4 2HB HIS 4 10.069 -0.175 12.499 26 HB3 HIS 4 1HB HIS 4 10.479 -1.189 11.121 27 HD1 HIS 4 HD1 HIS 4 8.444 -3.150 10.759 28 HD2 HIS 4 HD2 HIS 4 7.484 0.532 12.417 29 HE1 HIS 4 HE1 HIS 4 5.983 -2.873 10.388 30 HE2 HIS 4 HE2 HIS 4 5.511 -0.516 11.123 31 H HIS 5 H HIS 5 12.041 -2.592 11.095 32 HA HIS 5 HA HIS 5 14.470 -2.018 12.682 33 HB2 HIS 5 2HB HIS 5 14.416 -4.364 12.021 34 HB3 HIS 5 1HB HIS 5 14.112 -3.917 10.347 35 HD1 HIS 5 HD1 HIS 5 16.097 -3.405 8.906 36 HD2 HIS 5 HD2 HIS 5 17.101 -3.805 12.916 37 HE1 HIS 5 HE1 HIS 5 18.604 -3.406 8.971 38 HE2 HIS 5 HE2 HIS 5 19.181 -3.828 11.379 39 H HIS 6 H HIS 6 15.322 -0.117 12.121 40 HA HIS 6 HA HIS 6 14.425 1.424 9.961 41 HB2 HIS 6 2HB HIS 6 15.432 2.343 12.040 42 HB3 HIS 6 1HB HIS 6 17.009 1.781 11.494 43 HD1 HIS 6 HD1 HIS 6 14.334 4.306 10.650 44 HD2 HIS 6 HD2 HIS 6 18.279 3.439 9.670 45 HE1 HIS 6 HE1 HIS 6 15.139 6.260 9.301 46 HE2 HIS 6 HE2 HIS 6 17.476 5.652 8.606 47 H HIS 7 H HIS 7 14.809 1.256 7.884 48 HA HIS 7 HA HIS 7 17.438 0.871 6.781 49 HB2 HIS 7 2HB HIS 7 16.940 -1.461 7.207 50 HB3 HIS 7 1HB HIS 7 15.353 -1.307 6.466 51 HD1 HIS 7 HD1 HIS 7 19.019 -1.391 5.548 52 HD2 HIS 7 HD2 HIS 7 15.290 -1.698 3.734 53 HE1 HIS 7 HE1 HIS 7 19.473 -2.075 3.176 54 HE2 HIS 7 HE2 HIS 7 17.221 -2.128 2.071 55 H HIS 8 H HIS 8 17.581 1.736 4.716 56 HA HIS 8 HA HIS 8 15.467 3.217 3.604 57 HB2 HIS 8 2HB HIS 8 18.029 2.205 2.369 58 HB3 HIS 8 1HB HIS 8 16.892 3.218 1.491 59 HD1 HIS 8 HD1 HIS 8 19.724 3.383 3.781 60 HD2 HIS 8 HD2 HIS 8 16.577 5.864 2.678 61 HE1 HIS 8 HE1 HIS 8 20.396 5.690 4.505 62 HE2 HIS 8 HE2 HIS 8 18.551 7.185 3.690 63 H SER 9 H SER 9 13.635 1.890 3.454 64 HA SER 9 HA SER 9 13.645 -0.439 1.738 65 HB2 SER 9 2HB SER 9 11.323 1.077 2.976 66 HB3 SER 9 1HB SER 9 11.205 -0.481 2.159 67 HG SER 9 HG SER 9 12.508 0.134 4.598 68 H HIS 10 H HIS 10 13.469 -0.373 -0.443 69 HA HIS 10 HA HIS 10 13.002 2.189 -1.740 70 HB2 HIS 10 2HB HIS 10 13.674 -0.513 -2.933 71 HB3 HIS 10 1HB HIS 10 13.699 1.026 -3.790 72 HD1 HIS 10 HD1 HIS 10 16.093 -1.143 -2.876 73 HD2 HIS 10 HD2 HIS 10 15.472 2.796 -1.695 74 HE1 HIS 10 HE1 HIS 10 18.322 -0.322 -2.068 75 HE2 HIS 10 HE2 HIS 10 17.879 1.987 -1.190 76 H MET 11 H MET 11 10.706 1.297 -0.473 77 HA MET 11 HA MET 11 8.960 0.156 -2.535 78 HB2 MET 11 2HB MET 11 8.370 0.732 0.381 79 HB3 MET 11 1HB MET 11 7.357 -0.185 -0.729 80 HG2 MET 11 2HG MET 11 9.066 -1.903 -0.904 81 HG3 MET 11 1HG MET 11 10.128 -0.975 0.152 82 HE1 MET 11 3HE MET 11 9.119 -4.016 2.400 83 HE2 MET 11 1HE MET 11 10.453 -3.095 1.704 84 HE3 MET 11 2HE MET 11 9.392 -4.038 0.657 85 H LEU 12 H LEU 12 10.010 3.098 -2.097 86 HA LEU 12 HA LEU 12 7.536 4.575 -1.854 87 HB2 LEU 12 2HB LEU 12 10.383 5.435 -2.363 88 HB3 LEU 12 1HB LEU 12 9.044 6.566 -2.398 89 HG LEU 12 HG LEU 12 8.530 5.954 -0.026 90 HD11 LEU 12 1HD1 LEU 12 10.221 4.783 1.292 91 HD12 LEU 12 2HD1 LEU 12 11.153 4.462 -0.171 92 HD13 LEU 12 3HD1 LEU 12 9.557 3.741 0.033 93 HD21 LEU 12 3HD2 LEU 12 10.381 7.227 0.942 94 HD22 LEU 12 1HD2 LEU 12 9.817 7.951 -0.564 95 HD23 LEU 12 2HD2 LEU 12 11.311 7.013 -0.544 96 HA PRO 13 HA PRO 13 8.200 5.355 -6.543 97 HB2 PRO 13 2HB PRO 13 10.065 4.019 -7.930 98 HB3 PRO 13 1HB PRO 13 10.479 5.454 -6.979 99 HG2 PRO 13 2HG PRO 13 10.819 2.556 -6.277 100 HG3 PRO 13 1HG PRO 13 11.963 3.896 -6.068 101 HD2 PRO 13 2HD PRO 13 10.370 2.929 -4.054 102 HD3 PRO 13 1HD PRO 13 10.971 4.598 -4.118 103 HA PRO 14 HA PRO 14 5.669 1.919 -7.921 104 HB2 PRO 14 2HB PRO 14 6.170 2.843 -10.697 105 HB3 PRO 14 1HB PRO 14 4.643 2.695 -9.817 106 HG2 PRO 14 2HG PRO 14 5.709 5.093 -10.334 107 HG3 PRO 14 1HG PRO 14 4.875 4.769 -8.802 108 HD2 PRO 14 2HD PRO 14 7.823 4.864 -9.368 109 HD3 PRO 14 1HD PRO 14 6.918 5.530 -7.989 110 H GLU 15 H GLU 15 5.736 0.378 -10.082 111 HA GLU 15 HA GLU 15 6.754 -1.275 -11.268 112 HB2 GLU 15 2HB GLU 15 8.403 0.383 -12.002 113 HB3 GLU 15 1HB GLU 15 9.346 0.110 -10.545 114 HG2 GLU 15 2HG GLU 15 9.663 -2.255 -11.266 115 HG3 GLU 15 1HG GLU 15 8.855 -1.851 -12.779 116 H GLN 16 H GLN 16 8.806 -0.627 -8.396 117 HA GLN 16 HA GLN 16 9.415 -3.400 -8.040 118 HB2 GLN 16 2HB GLN 16 10.967 -1.580 -7.418 119 HB3 GLN 16 1HB GLN 16 9.859 -1.075 -6.152 120 HG2 GLN 16 2HG GLN 16 10.212 -3.106 -4.937 121 HG3 GLN 16 1HG GLN 16 11.137 -3.802 -6.265 122 HE21 GLN 16 1HE2 GLN 16 11.866 -3.328 -3.464 123 HE22 GLN 16 2HE2 GLN 16 13.296 -2.364 -3.509 124 H TRP 17 H TRP 17 6.589 -1.822 -7.409 125 HA TRP 17 HA TRP 17 5.873 -2.978 -4.904 126 HB2 TRP 17 2HB TRP 17 4.274 -1.741 -7.138 127 HB3 TRP 17 1HB TRP 17 3.482 -2.487 -5.750 128 HD1 TRP 17 HD TRP 17 5.546 0.576 -6.723 129 HE1 TRP 17 HE1 TRP 17 5.494 2.260 -4.778 130 HE3 TRP 17 HE3 TRP 17 3.255 -2.328 -3.199 131 HZ2 TRP 17 HZ2 TRP 17 4.592 2.343 -2.106 132 HZ3 TRP 17 HZ3 TRP 17 2.837 -1.373 -0.971 133 HH2 TRP 17 HH TRP 17 3.494 0.917 -0.437 134 H SER 18 H SER 18 6.520 -5.135 -5.072 135 HA SER 18 HA SER 18 5.119 -6.896 -6.933 136 HB2 SER 18 2HB SER 18 7.506 -7.289 -6.576 137 HB3 SER 18 1HB SER 18 7.242 -7.474 -4.844 138 HG SER 18 HG SER 18 7.001 -9.302 -6.816 139 H HIS 19 H HIS 19 4.613 -9.149 -5.737 140 HA HIS 19 HA HIS 19 2.205 -8.865 -4.395 141 HB2 HIS 19 2HB HIS 19 3.045 -10.927 -5.540 142 HB3 HIS 19 1HB HIS 19 4.104 -11.218 -4.166 143 HD1 HIS 19 HD1 HIS 19 2.866 -11.748 -1.855 144 HD2 HIS 19 HD2 HIS 19 0.475 -11.851 -5.251 145 HE1 HIS 19 HE1 HIS 19 0.782 -12.956 -1.173 146 HE2 HIS 19 HE2 HIS 19 -0.498 -13.252 -3.307 147 H THR 20 H THR 20 5.446 -9.245 -3.018 148 HA THR 20 HA THR 20 4.488 -9.368 -0.285 149 HB THR 20 HB THR 20 7.329 -8.983 -1.275 150 HG1 THR 20 HG1 THR 20 7.244 -11.384 -0.597 151 HG21 THR 20 3HG2 THR 20 6.999 -8.400 1.101 152 HG22 THR 20 1HG2 THR 20 7.975 -9.857 0.918 153 HG23 THR 20 2HG2 THR 20 6.280 -9.986 1.385 154 H THR 21 H THR 21 6.154 -6.977 -2.316 155 HA THR 21 HA THR 21 6.887 -5.051 -0.514 156 HB THR 21 HB THR 21 5.688 -4.460 -3.236 157 HG1 THR 21 HG1 THR 21 8.112 -4.518 -3.714 158 HG21 THR 21 3HG2 THR 21 7.714 -2.940 -1.583 159 HG22 THR 21 1HG2 THR 21 6.048 -2.449 -1.890 160 HG23 THR 21 2HG2 THR 21 7.204 -2.524 -3.219 161 H VAL 22 H VAL 22 3.690 -5.400 -2.024 162 HA VAL 22 HA VAL 22 2.479 -3.073 -1.100 163 HB VAL 22 HB VAL 22 1.166 -5.766 -1.556 164 HG11 VAL 22 1HG1 VAL 22 -0.054 -2.999 -1.531 165 HG12 VAL 22 2HG1 VAL 22 -0.277 -4.236 -0.293 166 HG13 VAL 22 3HG1 VAL 22 -0.895 -4.497 -1.925 167 HG21 VAL 22 3HG2 VAL 22 2.426 -4.993 -3.509 168 HG22 VAL 22 1HG2 VAL 22 1.583 -3.444 -3.451 169 HG23 VAL 22 2HG2 VAL 22 0.690 -4.924 -3.812 170 H ARG 23 H ARG 23 2.566 -6.276 0.484 171 HA ARG 23 HA ARG 23 0.849 -5.453 2.613 172 HB2 ARG 23 2HB ARG 23 1.171 -7.824 1.716 173 HB3 ARG 23 1HB ARG 23 2.648 -7.873 2.672 174 HG2 ARG 23 2HG ARG 23 1.350 -7.452 4.706 175 HG3 ARG 23 1HG ARG 23 -0.131 -7.389 3.749 176 HD2 ARG 23 2HD ARG 23 0.464 -9.756 2.982 177 HD3 ARG 23 1HD ARG 23 1.650 -9.756 4.291 178 HE ARG 23 HE ARG 23 -1.256 -9.413 4.691 179 HH11 ARG 23 1HH1 ARG 23 1.804 -10.590 5.757 180 HH12 ARG 23 2HH1 ARG 23 1.129 -11.383 7.140 181 HH21 ARG 23 1HH2 ARG 23 -2.087 -10.397 6.481 182 HH22 ARG 23 2HH2 ARG 23 -1.037 -11.250 7.561 183 H ASN 24 H ASN 24 4.345 -5.650 2.231 184 HA ASN 24 HA ASN 24 5.059 -5.337 4.948 185 HB2 ASN 24 2HB ASN 24 6.537 -4.616 2.406 186 HB3 ASN 24 1HB ASN 24 7.257 -4.515 4.011 187 HD21 ASN 24 1HD2 ASN 24 8.810 -6.071 3.496 188 HD22 ASN 24 2HD2 ASN 24 8.418 -7.746 3.354 189 H ALA 25 H ALA 25 4.556 -2.922 2.376 190 HA ALA 25 HA ALA 25 5.102 -0.695 4.132 191 HB1 ALA 25 3HB ALA 25 3.872 -0.698 1.372 192 HB2 ALA 25 1HB ALA 25 5.598 -0.591 1.725 193 HB3 ALA 25 2HB ALA 25 4.513 0.704 2.232 194 H LEU 26 H LEU 26 2.268 -2.492 3.179 195 HA LEU 26 HA LEU 26 0.260 -0.592 3.706 196 HB2 LEU 26 2HB LEU 26 -0.025 -2.740 2.481 197 HB3 LEU 26 1HB LEU 26 0.107 -3.598 4.000 198 HG LEU 26 HG LEU 26 -2.076 -1.557 3.598 199 HD11 LEU 26 1HD1 LEU 26 -2.154 -4.453 2.744 200 HD12 LEU 26 2HD1 LEU 26 -2.247 -3.043 1.688 201 HD13 LEU 26 3HD1 LEU 26 -3.547 -3.375 2.832 202 HD21 LEU 26 3HD2 LEU 26 -1.884 -4.063 5.283 203 HD22 LEU 26 1HD2 LEU 26 -3.264 -2.967 5.216 204 HD23 LEU 26 2HD2 LEU 26 -1.726 -2.407 5.868 205 H LYS 27 H LYS 27 2.024 -2.748 5.867 206 HA LYS 27 HA LYS 27 0.368 -2.863 8.063 207 HB2 LYS 27 2HB LYS 27 2.449 -4.124 7.915 208 HB3 LYS 27 1HB LYS 27 3.386 -2.643 8.050 209 HG2 LYS 27 2HG LYS 27 3.342 -3.893 10.154 210 HG3 LYS 27 1HG LYS 27 2.586 -2.306 10.322 211 HD2 LYS 27 2HD LYS 27 0.361 -3.382 10.065 212 HD3 LYS 27 1HD LYS 27 1.159 -4.956 9.997 213 HE2 LYS 27 2HE LYS 27 2.020 -4.636 12.256 214 HE3 LYS 27 1HE LYS 27 1.301 -3.025 12.322 215 HZ1 LYS 27 3HZ LYS 27 -0.200 -5.574 12.056 216 HZ2 LYS 27 1HZ LYS 27 -0.884 -4.032 12.140 217 HZ3 LYS 27 2HZ LYS 27 -0.055 -4.662 13.470 218 H ASP 28 H ASP 28 2.914 -0.369 7.600 219 HA ASP 28 HA ASP 28 2.137 1.076 9.932 220 HB2 ASP 28 2HB ASP 28 3.955 1.801 7.631 221 HB3 ASP 28 1HB ASP 28 3.718 2.829 9.045 222 H LEU 29 H LEU 29 0.859 1.063 6.753 223 HA LEU 29 HA LEU 29 -0.317 3.696 6.873 224 HB2 LEU 29 2HB LEU 29 -1.043 1.302 5.166 225 HB3 LEU 29 1HB LEU 29 -1.669 2.924 4.946 226 HG LEU 29 HG LEU 29 1.227 2.104 4.619 227 HD11 LEU 29 1HD1 LEU 29 -0.161 1.238 2.824 228 HD12 LEU 29 2HD1 LEU 29 0.860 2.551 2.239 229 HD13 LEU 29 3HD1 LEU 29 -0.851 2.840 2.558 230 HD21 LEU 29 3HD2 LEU 29 1.543 4.378 3.735 231 HD22 LEU 29 1HD2 LEU 29 1.050 4.386 5.428 232 HD23 LEU 29 2HD2 LEU 29 -0.123 4.768 4.167 233 H LEU 30 H LEU 30 -1.628 0.389 7.158 234 HA LEU 30 HA LEU 30 -4.172 1.163 8.150 235 HB2 LEU 30 2HB LEU 30 -3.633 -1.016 7.058 236 HB3 LEU 30 1HB LEU 30 -2.735 -1.478 8.492 237 HG LEU 30 HG LEU 30 -4.844 -1.305 9.817 238 HD11 LEU 30 1HD1 LEU 30 -6.029 0.271 8.350 239 HD12 LEU 30 2HD1 LEU 30 -6.980 -1.178 8.669 240 HD13 LEU 30 3HD1 LEU 30 -6.162 -0.984 7.118 241 HD21 LEU 30 3HD2 LEU 30 -4.957 -3.197 7.464 242 HD22 LEU 30 1HD2 LEU 30 -5.811 -3.385 8.996 243 HD23 LEU 30 2HD2 LEU 30 -4.050 -3.458 8.954 244 H LYS 31 H LYS 31 -1.096 0.922 9.635 245 HA LYS 31 HA LYS 31 -1.845 0.608 12.351 246 HB2 LYS 31 2HB LYS 31 0.467 0.355 11.536 247 HB3 LYS 31 1HB LYS 31 0.516 2.065 11.137 248 HG2 LYS 31 2HG LYS 31 0.142 2.540 13.593 249 HG3 LYS 31 1HG LYS 31 0.403 0.817 13.879 250 HD2 LYS 31 2HD LYS 31 2.481 2.018 14.234 251 HD3 LYS 31 1HD LYS 31 2.628 1.008 12.794 252 HE2 LYS 31 2HE LYS 31 2.112 3.005 11.402 253 HE3 LYS 31 1HE LYS 31 2.097 3.984 12.869 254 HZ1 LYS 31 3HZ LYS 31 4.212 4.149 11.750 255 HZ2 LYS 31 1HZ LYS 31 4.421 2.472 11.804 256 HZ3 LYS 31 2HZ LYS 31 4.418 3.372 13.235 257 H ASP 32 H ASP 32 -1.964 3.322 10.167 258 HA ASP 32 HA ASP 32 -2.450 5.202 12.379 259 HB2 ASP 32 2HB ASP 32 -0.701 5.785 10.716 260 HB3 ASP 32 1HB ASP 32 -1.930 5.797 9.454 261 H MET 33 H MET 33 -3.890 4.103 9.310 262 HA MET 33 HA MET 33 -6.390 5.492 10.052 263 HB2 MET 33 2HB MET 33 -6.954 5.470 7.663 264 HB3 MET 33 1HB MET 33 -5.433 6.295 7.967 265 HG2 MET 33 2HG MET 33 -4.292 4.113 7.329 266 HG3 MET 33 1HG MET 33 -5.865 3.586 6.733 267 HE1 MET 33 3HE MET 33 -6.867 6.639 5.775 268 HE2 MET 33 1HE MET 33 -7.266 5.141 4.934 269 HE3 MET 33 2HE MET 33 -6.530 6.478 4.051 270 H ASN 34 H ASN 34 -8.383 4.432 9.885 271 HA ASN 34 HA ASN 34 -8.268 1.677 10.655 272 HB2 ASN 34 2HB ASN 34 -10.639 3.489 10.156 273 HB3 ASN 34 1HB ASN 34 -10.724 1.896 10.903 274 HD21 ASN 34 1HD2 ASN 34 -9.765 5.205 11.321 275 HD22 ASN 34 2HD2 ASN 34 -9.486 5.107 13.021 276 H GLN 35 H GLN 35 -10.101 0.180 9.768 277 HA GLN 35 HA GLN 35 -9.321 -0.705 7.239 278 HB2 GLN 35 2HB GLN 35 -11.917 -1.267 8.694 279 HB3 GLN 35 1HB GLN 35 -11.298 -2.192 7.336 280 HG2 GLN 35 2HG GLN 35 -9.940 -1.914 10.013 281 HG3 GLN 35 1HG GLN 35 -10.914 -3.289 9.502 282 HE21 GLN 35 1HE2 GLN 35 -9.851 -3.181 6.754 283 HE22 GLN 35 2HE2 GLN 35 -8.254 -3.820 6.852 284 H SER 36 H SER 36 -12.477 0.778 8.069 285 HA SER 36 HA SER 36 -13.330 1.077 5.380 286 HB2 SER 36 2HB SER 36 -14.908 1.077 7.284 287 HB3 SER 36 1HB SER 36 -14.252 2.622 7.823 288 HG SER 36 HG SER 36 -16.235 2.659 6.488 289 H SER 37 H SER 37 -11.491 3.163 7.528 290 HA SER 37 HA SER 37 -11.548 5.553 6.074 291 HB2 SER 37 2HB SER 37 -9.177 4.466 7.626 292 HB3 SER 37 1HB SER 37 -9.509 6.157 7.249 293 HG SER 37 HG SER 37 -10.735 6.238 8.942 294 H LEU 38 H LEU 38 -9.289 2.807 5.837 295 HA LEU 38 HA LEU 38 -7.733 3.844 3.722 296 HB2 LEU 38 2HB LEU 38 -7.015 1.992 5.181 297 HB3 LEU 38 1HB LEU 38 -8.254 0.963 4.487 298 HG LEU 38 HG LEU 38 -7.121 1.085 2.294 299 HD11 LEU 38 1HD1 LEU 38 -6.073 3.292 2.575 300 HD12 LEU 38 2HD1 LEU 38 -4.911 2.061 2.084 301 HD13 LEU 38 3HD1 LEU 38 -4.962 2.603 3.762 302 HD21 LEU 38 3HD2 LEU 38 -5.302 0.214 4.545 303 HD22 LEU 38 1HD2 LEU 38 -5.210 -0.318 2.865 304 HD23 LEU 38 2HD2 LEU 38 -6.610 -0.744 3.849 305 H ALA 39 H ALA 39 -10.561 1.681 3.727 306 HA ALA 39 HA ALA 39 -10.701 1.228 0.952 307 HB1 ALA 39 3HB ALA 39 -13.002 0.512 1.363 308 HB2 ALA 39 1HB ALA 39 -12.952 1.243 2.967 309 HB3 ALA 39 2HB ALA 39 -11.909 -0.128 2.591 310 H LYS 40 H LYS 40 -11.667 3.986 2.855 311 HA LYS 40 HA LYS 40 -13.416 5.146 0.904 312 HB2 LYS 40 2HB LYS 40 -13.575 5.741 3.278 313 HB3 LYS 40 1HB LYS 40 -11.954 6.423 3.231 314 HG2 LYS 40 2HG LYS 40 -12.738 8.111 1.603 315 HG3 LYS 40 1HG LYS 40 -14.369 7.450 1.736 316 HD2 LYS 40 2HD LYS 40 -12.768 8.629 4.015 317 HD3 LYS 40 1HD LYS 40 -14.040 9.466 3.125 318 HE2 LYS 40 2HE LYS 40 -15.669 7.800 3.873 319 HE3 LYS 40 1HE LYS 40 -14.401 6.941 4.746 320 HZ1 LYS 40 3HZ LYS 40 -15.694 8.360 6.214 321 HZ2 LYS 40 1HZ LYS 40 -15.288 9.721 5.297 322 HZ3 LYS 40 2HZ LYS 40 -14.090 8.882 6.143 323 H GLU 41 H GLU 41 -9.958 5.234 1.453 324 HA GLU 41 HA GLU 41 -9.576 7.467 -0.402 325 HB2 GLU 41 2HB GLU 41 -7.511 5.844 1.109 326 HB3 GLU 41 1HB GLU 41 -7.217 7.335 0.227 327 HG2 GLU 41 2HG GLU 41 -8.933 7.047 2.687 328 HG3 GLU 41 1HG GLU 41 -7.298 7.700 2.636 329 H CYS 42 H CYS 42 -8.685 4.033 -0.139 330 HA CYS 42 HA CYS 42 -7.576 4.064 -2.855 331 HB2 CYS 42 2HB CYS 42 -6.231 3.077 -1.020 332 HB3 CYS 42 1HB CYS 42 -7.492 1.876 -0.765 333 HG CYS 42 HG CYS 42 -4.936 1.351 -2.423 334 HA PRO 43 HA PRO 43 -11.264 2.164 -4.474 335 HB2 PRO 43 2HB PRO 43 -10.363 1.370 -6.887 336 HB3 PRO 43 1HB PRO 43 -10.546 3.079 -6.475 337 HG2 PRO 43 2HG PRO 43 -8.066 1.383 -6.433 338 HG3 PRO 43 1HG PRO 43 -8.291 3.006 -7.117 339 HD2 PRO 43 2HD PRO 43 -7.177 2.587 -4.675 340 HD3 PRO 43 1HD PRO 43 -8.140 4.031 -5.048 341 H LEU 44 H LEU 44 -9.286 0.399 -2.864 342 HA LEU 44 HA LEU 44 -9.720 -2.198 -4.143 343 HB2 LEU 44 2HB LEU 44 -8.218 -1.504 -1.611 344 HB3 LEU 44 1HB LEU 44 -8.288 -3.093 -2.354 345 HG LEU 44 HG LEU 44 -7.007 -0.627 -3.548 346 HD11 LEU 44 1HD1 LEU 44 -4.910 -1.829 -3.245 347 HD12 LEU 44 2HD1 LEU 44 -5.771 -3.165 -2.478 348 HD13 LEU 44 3HD1 LEU 44 -5.727 -1.579 -1.703 349 HD21 LEU 44 3HD2 LEU 44 -7.970 -1.996 -5.303 350 HD22 LEU 44 1HD2 LEU 44 -7.198 -3.437 -4.639 351 HD23 LEU 44 2HD2 LEU 44 -6.212 -2.142 -5.322 352 H SER 45 H SER 45 -10.942 -3.842 -3.246 353 HA SER 45 HA SER 45 -13.234 -3.042 -1.765 354 HB2 SER 45 2HB SER 45 -12.257 -5.841 -2.404 355 HB3 SER 45 1HB SER 45 -13.870 -5.425 -1.829 356 HG SER 45 HG SER 45 -14.008 -4.068 -3.770 357 H GLN 46 H GLN 46 -13.721 -3.184 0.359 358 HA GLN 46 HA GLN 46 -11.735 -3.218 2.308 359 HB2 GLN 46 2HB GLN 46 -14.155 -2.311 2.386 360 HB3 GLN 46 1HB GLN 46 -14.613 -3.929 2.892 361 HG2 GLN 46 2HG GLN 46 -12.548 -2.301 4.363 362 HG3 GLN 46 1HG GLN 46 -14.270 -2.175 4.706 363 HE21 GLN 46 1HE2 GLN 46 -11.434 -4.137 5.000 364 HE22 GLN 46 2HE2 GLN 46 -12.107 -5.307 6.072 365 H SER 47 H SER 47 -14.006 -5.830 1.417 366 HA SER 47 HA SER 47 -13.217 -7.777 3.239 367 HB2 SER 47 2HB SER 47 -14.048 -8.203 0.353 368 HB3 SER 47 1HB SER 47 -14.034 -9.445 1.605 369 HG SER 47 HG SER 47 -16.113 -8.501 1.274 370 H MET 48 H MET 48 -11.763 -6.998 0.088 371 HA MET 48 HA MET 48 -9.841 -9.083 0.090 372 HB2 MET 48 2HB MET 48 -9.851 -6.406 -1.326 373 HB3 MET 48 1HB MET 48 -8.658 -7.667 -1.617 374 HG2 MET 48 2HG MET 48 -11.627 -7.872 -2.083 375 HG3 MET 48 1HG MET 48 -10.376 -7.716 -3.317 376 HE1 MET 48 3HE MET 48 -11.335 -9.861 -4.591 377 HE2 MET 48 1HE MET 48 -12.600 -10.015 -3.372 378 HE3 MET 48 2HE MET 48 -11.617 -11.415 -3.807 379 H ILE 49 H ILE 49 -9.634 -5.665 1.088 380 HA ILE 49 HA ILE 49 -6.980 -5.588 1.929 381 HB ILE 49 HB ILE 49 -9.352 -4.180 3.191 382 HG12 ILE 49 2HG1 ILE 49 -7.443 -3.252 1.020 383 HG13 ILE 49 1HG1 ILE 49 -9.114 -3.742 0.766 384 HG21 ILE 49 1HG2 ILE 49 -7.439 -4.120 4.679 385 HG22 ILE 49 2HG2 ILE 49 -7.682 -2.526 3.967 386 HG23 ILE 49 3HG2 ILE 49 -6.397 -3.572 3.364 387 HD11 ILE 49 3HD1 ILE 49 -8.211 -1.386 2.409 388 HD12 ILE 49 1HD1 ILE 49 -9.882 -1.861 2.102 389 HD13 ILE 49 2HD1 ILE 49 -8.859 -1.320 0.771 390 H SER 50 H SER 50 -9.875 -6.571 3.753 391 HA SER 50 HA SER 50 -8.618 -7.172 6.201 392 HB2 SER 50 2HB SER 50 -11.048 -6.988 6.028 393 HB3 SER 50 1HB SER 50 -11.103 -8.400 4.973 394 HG SER 50 HG SER 50 -11.527 -8.659 7.355 395 H SER 51 H SER 51 -9.432 -9.319 3.464 396 HA SER 51 HA SER 51 -8.450 -11.718 4.457 397 HB2 SER 51 2HB SER 51 -9.714 -11.632 2.380 398 HB3 SER 51 1HB SER 51 -8.429 -10.713 1.596 399 HG SER 51 HG SER 51 -7.783 -12.636 1.013 400 H ILE 52 H ILE 52 -6.682 -9.159 2.740 401 HA ILE 52 HA ILE 52 -4.180 -10.453 2.606 402 HB ILE 52 HB ILE 52 -4.798 -7.490 2.720 403 HG12 ILE 52 2HG1 ILE 52 -4.264 -9.310 0.350 404 HG13 ILE 52 1HG1 ILE 52 -5.846 -8.704 0.825 405 HG21 ILE 52 1HG2 ILE 52 -2.259 -8.889 1.868 406 HG22 ILE 52 2HG2 ILE 52 -2.471 -7.900 3.312 407 HG23 ILE 52 3HG2 ILE 52 -2.581 -7.161 1.716 408 HD11 ILE 52 3HD1 ILE 52 -5.114 -6.422 0.371 409 HD12 ILE 52 1HD1 ILE 52 -4.939 -7.456 -1.046 410 HD13 ILE 52 2HD1 ILE 52 -3.520 -7.024 -0.092 411 H VAL 53 H VAL 53 -5.445 -8.123 5.007 412 HA VAL 53 HA VAL 53 -3.169 -8.089 6.670 413 HB VAL 53 HB VAL 53 -6.061 -7.632 7.446 414 HG11 VAL 53 1HG1 VAL 53 -3.514 -6.831 8.866 415 HG12 VAL 53 2HG1 VAL 53 -4.686 -8.030 9.414 416 HG13 VAL 53 3HG1 VAL 53 -5.141 -6.329 9.326 417 HG21 VAL 53 3HG2 VAL 53 -5.533 -5.242 7.148 418 HG22 VAL 53 1HG2 VAL 53 -5.367 -6.152 5.646 419 HG23 VAL 53 2HG2 VAL 53 -3.930 -5.679 6.555 420 H ASN 54 H ASN 54 -6.065 -10.136 6.754 421 HA ASN 54 HA ASN 54 -5.340 -11.548 9.127 422 HB2 ASN 54 2HB ASN 54 -7.306 -12.306 6.949 423 HB3 ASN 54 1HB ASN 54 -7.207 -13.041 8.547 424 HD21 ASN 54 1HD2 ASN 54 -9.410 -11.611 7.261 425 HD22 ASN 54 2HD2 ASN 54 -9.804 -10.292 8.306 426 H SER 55 H SER 55 -4.554 -11.949 5.763 427 HA SER 55 HA SER 55 -3.474 -13.548 4.552 428 HB2 SER 55 2HB SER 55 -1.412 -14.466 5.579 429 HB3 SER 55 1HB SER 55 -1.575 -12.735 5.848 430 HG SER 55 HG SER 55 -2.596 -14.465 7.797 431 H THR 56 H THR 56 -5.688 -14.675 4.814 432 HA THR 56 HA THR 56 -5.572 -17.085 6.480 433 HB THR 56 HB THR 56 -8.012 -17.294 5.943 434 HG1 THR 56 HG1 THR 56 -8.774 -15.050 5.122 435 HG21 THR 56 3HG2 THR 56 -7.130 -14.653 7.126 436 HG22 THR 56 1HG2 THR 56 -7.292 -16.178 7.997 437 HG23 THR 56 2HG2 THR 56 -8.720 -15.383 7.333 438 H TYR 57 H TYR 57 -7.202 -16.639 3.318 439 HA TYR 57 HA TYR 57 -6.136 -19.302 2.570 440 HB2 TYR 57 2HB TYR 57 -8.332 -19.775 1.525 441 HB3 TYR 57 1HB TYR 57 -8.451 -19.500 3.259 442 HD1 TYR 57 HD1 TYR 57 -9.075 -17.962 -0.059 443 HD2 TYR 57 HD2 TYR 57 -9.810 -17.730 4.128 444 HE1 TYR 57 HE1 TYR 57 -10.803 -16.263 -0.460 445 HE2 TYR 57 HE2 TYR 57 -11.538 -16.027 3.731 446 HH TYR 57 HH TYR 57 -12.302 -14.497 2.138 447 H TYR 58 H TYR 58 -5.396 -16.422 1.660 448 HA TYR 58 HA TYR 58 -5.943 -16.777 -1.217 449 HB2 TYR 58 2HB TYR 58 -5.668 -14.460 -1.538 450 HB3 TYR 58 1HB TYR 58 -6.560 -14.586 -0.028 451 HD1 TYR 58 HD1 TYR 58 -5.321 -14.251 2.154 452 HD2 TYR 58 HD2 TYR 58 -3.541 -13.394 -1.623 453 HE1 TYR 58 HE1 TYR 58 -3.613 -12.881 3.268 454 HE2 TYR 58 HE2 TYR 58 -1.828 -12.024 -0.511 455 HH TYR 58 HH TYR 58 -1.282 -12.107 2.808 456 H ALA 59 H ALA 59 -4.295 -16.951 -2.707 457 HA ALA 59 HA ALA 59 -1.528 -16.988 -1.662 458 HB1 ALA 59 3HB ALA 59 -0.992 -18.573 -3.450 459 HB2 ALA 59 1HB ALA 59 -2.667 -18.515 -4.007 460 HB3 ALA 59 2HB ALA 59 -2.289 -19.183 -2.419 461 H ASN 60 H ASN 60 -2.535 -16.959 -5.072 462 HA ASN 60 HA ASN 60 -1.039 -14.505 -5.513 463 HB2 ASN 60 2HB ASN 60 -0.913 -16.392 -7.132 464 HB3 ASN 60 1HB ASN 60 -2.619 -16.158 -7.502 465 HD21 ASN 60 1HD2 ASN 60 -2.176 -15.694 -9.661 466 HD22 ASN 60 2HD2 ASN 60 -1.462 -14.201 -10.151 467 H VAL 61 H VAL 61 -1.994 -12.605 -6.547 468 HA VAL 61 HA VAL 61 -4.788 -12.230 -5.647 469 HB VAL 61 HB VAL 61 -3.092 -11.001 -4.308 470 HG11 VAL 61 1HG1 VAL 61 -1.936 -9.073 -5.270 471 HG12 VAL 61 2HG1 VAL 61 -2.580 -9.474 -6.862 472 HG13 VAL 61 3HG1 VAL 61 -1.455 -10.572 -6.063 473 HG21 VAL 61 3HG2 VAL 61 -5.382 -10.183 -4.451 474 HG22 VAL 61 1HG2 VAL 61 -4.974 -9.244 -5.888 475 HG23 VAL 61 2HG2 VAL 61 -4.242 -8.842 -4.334 476 H SER 62 H SER 62 -6.148 -10.824 -6.872 477 HA SER 62 HA SER 62 -6.002 -11.171 -9.656 478 HB2 SER 62 2HB SER 62 -7.653 -9.109 -8.172 479 HB3 SER 62 1HB SER 62 -7.975 -9.759 -9.779 480 HG SER 62 HG SER 62 -8.525 -11.695 -8.898 481 H ALA 63 H ALA 63 -5.793 -9.618 -11.360 482 HA ALA 63 HA ALA 63 -3.416 -8.167 -11.240 483 HB1 ALA 63 3HB ALA 63 -4.352 -9.073 -13.306 484 HB2 ALA 63 1HB ALA 63 -3.980 -7.357 -13.469 485 HB3 ALA 63 2HB ALA 63 -5.650 -7.881 -13.247 486 H ALA 64 H ALA 64 -6.744 -6.828 -11.432 487 HA ALA 64 HA ALA 64 -6.066 -4.131 -11.447 488 HB1 ALA 64 3HB ALA 64 -8.312 -4.974 -11.939 489 HB2 ALA 64 1HB ALA 64 -8.349 -3.681 -10.739 490 HB3 ALA 64 2HB ALA 64 -8.539 -5.361 -10.233 491 H LYS 65 H LYS 65 -6.432 -6.294 -8.679 492 HA LYS 65 HA LYS 65 -6.435 -4.441 -6.583 493 HB2 LYS 65 2HB LYS 65 -6.579 -7.126 -6.696 494 HB3 LYS 65 1HB LYS 65 -4.893 -6.983 -6.233 495 HG2 LYS 65 2HG LYS 65 -7.219 -5.804 -4.713 496 HG3 LYS 65 1HG LYS 65 -6.422 -7.323 -4.323 497 HD2 LYS 65 2HD LYS 65 -5.051 -4.626 -4.340 498 HD3 LYS 65 1HD LYS 65 -5.723 -5.389 -2.903 499 HE2 LYS 65 2HE LYS 65 -3.433 -5.887 -2.821 500 HE3 LYS 65 1HE LYS 65 -4.177 -7.360 -3.432 501 HZ1 LYS 65 3HZ LYS 65 -2.137 -6.708 -4.628 502 HZ2 LYS 65 1HZ LYS 65 -2.906 -5.291 -5.142 503 HZ3 LYS 65 2HZ LYS 65 -3.486 -6.801 -5.641 504 H CYS 66 H CYS 66 -3.844 -5.503 -8.647 505 HA CYS 66 HA CYS 66 -1.803 -4.206 -6.975 506 HB2 CYS 66 2HB CYS 66 -1.383 -6.487 -7.947 507 HB3 CYS 66 1HB CYS 66 -1.407 -5.757 -9.548 508 HG CYS 66 HG CYS 66 1.114 -5.338 -9.561 509 H GLN 67 H GLN 67 -3.037 -4.128 -10.308 510 HA GLN 67 HA GLN 67 -1.455 -2.065 -11.313 511 HB2 GLN 67 2HB GLN 67 -4.299 -2.769 -12.067 512 HB3 GLN 67 1HB GLN 67 -3.197 -1.803 -13.039 513 HG2 GLN 67 2HG GLN 67 -1.720 -3.726 -13.298 514 HG3 GLN 67 1HG GLN 67 -2.794 -4.696 -12.288 515 HE21 GLN 67 1HE2 GLN 67 -3.919 -2.358 -14.649 516 HE22 GLN 67 2HE2 GLN 67 -4.603 -3.517 -15.731 517 H GLU 68 H GLU 68 -4.872 -1.744 -10.266 518 HA GLU 68 HA GLU 68 -4.839 1.078 -10.485 519 HB2 GLU 68 2HB GLU 68 -6.782 -0.654 -8.942 520 HB3 GLU 68 1HB GLU 68 -7.047 1.014 -9.428 521 HG2 GLU 68 2HG GLU 68 -6.801 -1.393 -11.228 522 HG3 GLU 68 1HG GLU 68 -8.248 -0.439 -10.913 523 H PHE 69 H PHE 69 -3.856 -1.045 -7.938 524 HA PHE 69 HA PHE 69 -3.944 0.832 -5.796 525 HB2 PHE 69 2HB PHE 69 -3.754 -1.553 -5.327 526 HB3 PHE 69 1HB PHE 69 -2.222 -1.634 -6.191 527 HD1 PHE 69 HD1 PHE 69 -3.844 0.037 -3.278 528 HD2 PHE 69 HD2 PHE 69 -0.228 -1.389 -5.024 529 HE1 PHE 69 HE1 PHE 69 -2.645 0.526 -1.188 530 HE2 PHE 69 HE2 PHE 69 0.973 -0.900 -2.933 531 HZ PHE 69 HZ PHE 69 -0.232 0.056 -1.013 532 H GLY 70 H GLY 70 -1.214 -0.293 -7.839 533 HA2 GLY 70 2HA GLY 70 0.662 1.636 -6.999 534 HA3 GLY 70 1HA GLY 70 0.696 0.792 -8.540 535 H ARG 71 H ARG 71 -1.663 1.693 -9.671 536 HA ARG 71 HA ARG 71 -1.091 4.217 -10.730 537 HB2 ARG 71 2HB ARG 71 -2.603 2.569 -11.773 538 HB3 ARG 71 1HB ARG 71 -3.775 2.831 -10.489 539 HG2 ARG 71 2HG ARG 71 -4.015 5.174 -11.216 540 HG3 ARG 71 1HG ARG 71 -2.882 4.863 -12.534 541 HD2 ARG 71 2HD ARG 71 -4.407 3.115 -13.390 542 HD3 ARG 71 1HD ARG 71 -5.550 3.509 -12.105 543 HE ARG 71 HE ARG 71 -4.873 5.793 -13.668 544 HH11 ARG 71 1HH1 ARG 71 -6.868 2.981 -13.579 545 HH12 ARG 71 2HH1 ARG 71 -8.014 3.637 -14.698 546 HH21 ARG 71 1HH2 ARG 71 -6.362 6.620 -15.091 547 HH22 ARG 71 2HH2 ARG 71 -7.742 5.675 -15.524 548 H TRP 72 H TRP 72 -3.262 3.296 -8.066 549 HA TRP 72 HA TRP 72 -4.143 5.899 -7.396 550 HB2 TRP 72 2HB TRP 72 -5.324 3.949 -6.580 551 HB3 TRP 72 1HB TRP 72 -3.896 3.383 -5.724 552 HD1 TRP 72 HD TRP 72 -6.547 6.184 -5.549 553 HE1 TRP 72 HE1 TRP 72 -6.709 6.982 -3.109 554 HE3 TRP 72 HE3 TRP 72 -2.697 3.478 -3.555 555 HZ2 TRP 72 HZ2 TRP 72 -5.378 6.532 -0.667 556 HZ3 TRP 72 HZ3 TRP 72 -2.210 3.718 -1.155 557 HH2 TRP 72 HH TRP 72 -3.523 5.214 0.258 558 H TYR 73 H TYR 73 -1.342 4.003 -6.387 559 HA TYR 73 HA TYR 73 -0.410 5.710 -4.348 560 HB2 TYR 73 2HB TYR 73 0.312 3.289 -5.025 561 HB3 TYR 73 1HB TYR 73 1.455 4.104 -6.084 562 HD1 TYR 73 HD2 TYR 73 0.465 3.581 -2.566 563 HD2 TYR 73 HD1 TYR 73 3.428 5.151 -5.188 564 HE1 TYR 73 HE2 TYR 73 2.009 3.812 -0.672 565 HE2 TYR 73 HE1 TYR 73 4.985 5.380 -3.297 566 HH TYR 73 HH TYR 73 4.563 3.869 -0.382 567 H LYS 74 H LYS 74 -0.034 5.773 -7.837 568 HA LYS 74 HA LYS 74 1.877 7.799 -8.137 569 HB2 LYS 74 2HB LYS 74 0.864 6.423 -9.983 570 HB3 LYS 74 1HB LYS 74 -0.602 7.377 -9.832 571 HG2 LYS 74 2HG LYS 74 0.429 8.413 -11.608 572 HG3 LYS 74 1HG LYS 74 0.993 9.404 -10.264 573 HD2 LYS 74 2HD LYS 74 2.857 8.927 -11.722 574 HD3 LYS 74 1HD LYS 74 3.084 8.049 -10.209 575 HE2 LYS 74 2HE LYS 74 2.335 5.995 -11.228 576 HE3 LYS 74 1HE LYS 74 1.905 6.842 -12.712 577 HZ1 LYS 74 3HZ LYS 74 4.016 5.671 -12.904 578 HZ2 LYS 74 1HZ LYS 74 4.657 6.571 -11.626 579 HZ3 LYS 74 2HZ LYS 74 4.234 7.335 -13.070 580 H HIS 75 H HIS 75 -1.488 7.954 -7.190 581 HA HIS 75 HA HIS 75 -1.527 10.879 -7.259 582 HB2 HIS 75 2HB HIS 75 -3.676 8.884 -6.494 583 HB3 HIS 75 1HB HIS 75 -3.902 10.629 -6.570 584 HD1 HIS 75 HD1 HIS 75 -4.229 11.678 -8.879 585 HD2 HIS 75 HD2 HIS 75 -3.441 7.601 -9.021 586 HE1 HIS 75 HE1 HIS 75 -4.698 10.984 -11.241 587 HE2 HIS 75 HE2 HIS 75 -4.017 8.568 -11.349 588 H PHE 76 H PHE 76 -1.129 8.267 -5.000 589 HA PHE 76 HA PHE 76 -1.700 9.703 -2.616 590 HB2 PHE 76 2HB PHE 76 -1.696 7.252 -2.692 591 HB3 PHE 76 1HB PHE 76 0.029 7.251 -3.035 592 HD1 PHE 76 HD2 PHE 76 -2.414 8.438 -0.473 593 HD2 PHE 76 HD1 PHE 76 1.529 7.035 -1.273 594 HE1 PHE 76 HE2 PHE 76 -1.946 8.377 1.945 595 HE2 PHE 76 HE1 PHE 76 2.002 6.972 1.139 596 HZ PHE 76 HZ PHE 76 0.261 7.644 2.751 597 H LYS 77 H LYS 77 1.399 8.949 -4.240 598 HA LYS 77 HA LYS 77 2.675 11.030 -2.573 599 HB2 LYS 77 2HB LYS 77 3.812 8.550 -3.848 600 HB3 LYS 77 1HB LYS 77 4.848 9.872 -3.330 601 HG2 LYS 77 2HG LYS 77 3.879 9.636 -1.036 602 HG3 LYS 77 1HG LYS 77 3.046 8.186 -1.601 603 HD2 LYS 77 2HD LYS 77 5.170 7.123 -2.117 604 HD3 LYS 77 1HD LYS 77 6.042 8.594 -1.688 605 HE2 LYS 77 2HE LYS 77 4.378 6.925 0.204 606 HE3 LYS 77 1HE LYS 77 6.136 6.900 0.099 607 HZ1 LYS 77 3HZ LYS 77 4.454 9.210 0.900 608 HZ2 LYS 77 1HZ LYS 77 6.135 9.264 0.718 609 HZ3 LYS 77 2HZ LYS 77 5.443 8.287 1.912 610 H LYS 78 H LYS 78 2.586 9.766 -5.910 611 HA LYS 78 HA LYS 78 3.099 10.673 -7.927 612 HB2 LYS 78 2HB LYS 78 1.569 12.477 -7.300 613 HB3 LYS 78 1HB LYS 78 2.865 13.308 -6.452 614 HG2 LYS 78 2HG LYS 78 2.472 14.368 -8.584 615 HG3 LYS 78 1HG LYS 78 4.059 13.600 -8.591 616 HD2 LYS 78 2HD LYS 78 3.124 11.688 -9.825 617 HD3 LYS 78 1HD LYS 78 1.539 12.463 -9.818 618 HE2 LYS 78 2HE LYS 78 4.043 13.528 -11.133 619 HE3 LYS 78 1HE LYS 78 2.662 12.805 -11.958 620 HZ1 LYS 78 3HZ LYS 78 2.535 15.194 -12.072 621 HZ2 LYS 78 1HZ LYS 78 2.642 15.327 -10.389 622 HZ3 LYS 78 2HZ LYS 78 1.282 14.620 -11.097 623 H THR 79 H THR 79 4.757 13.062 -5.873 624 HA THR 79 HA THR 79 6.889 13.872 -5.968 625 HB THR 79 HB THR 79 7.145 12.324 -4.201 626 HG1 THR 79 HG1 THR 79 9.333 11.856 -5.978 627 HG21 THR 79 3HG2 THR 79 7.783 9.968 -4.506 628 HG22 THR 79 1HG2 THR 79 7.624 10.156 -6.253 629 HG23 THR 79 2HG2 THR 79 6.206 10.312 -5.216 630 H LYS 80 H LYS 80 6.614 14.277 -8.345 631 HA LYS 80 HA LYS 80 7.741 14.659 -10.276 632 HB2 LYS 80 2HB LYS 80 9.806 14.703 -9.047 633 HB3 LYS 80 1HB LYS 80 9.869 12.949 -8.980 634 HG2 LYS 80 2HG LYS 80 11.460 13.803 -10.595 635 HG3 LYS 80 1HG LYS 80 10.207 12.858 -11.400 636 HD2 LYS 80 2HD LYS 80 10.677 14.849 -12.692 637 HD3 LYS 80 1HD LYS 80 9.054 14.964 -12.011 638 HE2 LYS 80 2HE LYS 80 9.914 16.411 -10.221 639 HE3 LYS 80 1HE LYS 80 11.534 16.292 -10.907 640 HZ1 LYS 80 3HZ LYS 80 10.681 17.325 -12.935 641 HZ2 LYS 80 1HZ LYS 80 10.485 18.331 -11.590 642 HZ3 LYS 80 2HZ LYS 80 9.159 17.491 -12.219 643 H ASP 81 H ASP 81 7.517 11.251 -9.332 644 HA ASP 81 HA ASP 81 8.393 10.080 -11.688 645 HB2 ASP 81 2HB ASP 81 8.030 8.905 -9.522 646 HB3 ASP 81 1HB ASP 81 6.294 8.952 -9.826 647 H MET 82 H MET 82 7.604 9.836 -13.642 648 HA MET 82 HA MET 82 4.720 9.933 -14.144 649 HB2 MET 82 2HB MET 82 5.614 12.244 -14.455 650 HB3 MET 82 1HB MET 82 6.718 11.627 -15.675 651 HG2 MET 82 2HG MET 82 3.714 11.471 -15.872 652 HG3 MET 82 1HG MET 82 4.695 12.747 -16.586 653 HE1 MET 82 3HE MET 82 3.534 10.626 -19.690 654 HE2 MET 82 1HE MET 82 3.526 12.217 -18.931 655 HE3 MET 82 2HE MET 82 2.603 10.895 -18.216 656 H MET 83 H MET 83 7.971 9.332 -15.384 657 HA MET 83 HA MET 83 8.851 7.766 -16.755 658 HB2 MET 83 2HB MET 83 6.201 6.360 -16.331 659 HB3 MET 83 1HB MET 83 7.604 5.633 -17.101 660 HG2 MET 83 2HG MET 83 8.884 5.890 -15.041 661 HG3 MET 83 1HG MET 83 7.492 6.642 -14.263 662 HE1 MET 83 3HE MET 83 7.750 3.130 -12.507 663 HE2 MET 83 1HE MET 83 7.728 4.877 -12.263 664 HE3 MET 83 2HE MET 83 9.097 4.115 -13.077 Start of MODEL 20 1 H1 MET 1 1H MET 1 1.612 -1.928 20.361 2 H2 MET 1 2H MET 1 3.194 -2.112 20.921 3 H3 MET 1 3H MET 1 1.893 -2.538 21.914 4 HA MET 1 HA MET 1 2.915 -4.506 21.019 5 HB2 MET 1 2HB MET 1 0.551 -4.628 21.438 6 HB3 MET 1 1HB MET 1 0.182 -3.819 19.921 7 HG2 MET 1 2HG MET 1 -0.248 -6.250 19.880 8 HG3 MET 1 1HG MET 1 0.905 -5.719 18.657 9 HE1 MET 1 3HE MET 1 0.488 -8.777 19.561 10 HE2 MET 1 1HE MET 1 2.164 -9.323 19.630 11 HE3 MET 1 2HE MET 1 1.629 -8.282 18.310 12 H GLY 2 H GLY 2 4.077 -5.439 19.432 13 HA2 GLY 2 2HA GLY 2 3.637 -5.392 16.713 14 HA3 GLY 2 1HA GLY 2 4.625 -3.973 17.026 15 H HIS 3 H HIS 3 5.143 -6.557 15.558 16 HA HIS 3 HA HIS 3 7.374 -7.680 17.083 17 HB2 HIS 3 2HB HIS 3 6.315 -8.440 14.344 18 HB3 HIS 3 1HB HIS 3 7.527 -9.327 15.266 19 HD1 HIS 3 HD1 HIS 3 4.056 -9.397 14.529 20 HD2 HIS 3 HD2 HIS 3 6.323 -10.158 17.929 21 HE1 HIS 3 HE1 HIS 3 2.592 -10.790 16.015 22 HE2 HIS 3 HE2 HIS 3 4.052 -11.392 17.970 23 H HIS 4 H HIS 4 9.539 -7.481 16.476 24 HA HIS 4 HA HIS 4 10.111 -4.973 15.173 25 HB2 HIS 4 2HB HIS 4 12.029 -6.984 16.367 26 HB3 HIS 4 1HB HIS 4 12.393 -5.311 15.958 27 HD1 HIS 4 HD1 HIS 4 10.068 -3.832 17.204 28 HD2 HIS 4 HD2 HIS 4 11.985 -7.006 19.075 29 HE1 HIS 4 HE1 HIS 4 9.567 -3.572 19.649 30 HE2 HIS 4 HE2 HIS 4 10.848 -5.423 20.768 31 H HIS 5 H HIS 5 9.355 -7.590 13.606 32 HA HIS 5 HA HIS 5 11.607 -7.856 11.812 33 HB2 HIS 5 2HB HIS 5 10.035 -9.744 12.272 34 HB3 HIS 5 1HB HIS 5 8.764 -8.848 11.447 35 HD1 HIS 5 HD1 HIS 5 11.998 -10.656 10.784 36 HD2 HIS 5 HD2 HIS 5 8.826 -9.010 8.669 37 HE1 HIS 5 HE1 HIS 5 12.291 -11.434 8.424 38 HE2 HIS 5 HE2 HIS 5 10.462 -10.292 7.135 39 H HIS 6 H HIS 6 11.991 -5.798 10.994 40 HA HIS 6 HA HIS 6 9.835 -4.580 9.373 41 HB2 HIS 6 2HB HIS 6 10.757 -2.368 9.946 42 HB3 HIS 6 1HB HIS 6 10.261 -3.246 11.388 43 HD1 HIS 6 HD1 HIS 6 13.341 -2.097 9.553 44 HD2 HIS 6 HD2 HIS 6 12.298 -3.803 13.198 45 HE1 HIS 6 HE1 HIS 6 15.420 -2.018 10.952 46 HE2 HIS 6 HE2 HIS 6 14.775 -3.061 13.145 47 H HIS 7 H HIS 7 10.577 -3.187 7.602 48 HA HIS 7 HA HIS 7 13.305 -3.573 6.647 49 HB2 HIS 7 2HB HIS 7 12.589 -4.428 4.447 50 HB3 HIS 7 1HB HIS 7 12.153 -5.532 5.745 51 HD1 HIS 7 HD1 HIS 7 9.694 -6.053 6.058 52 HD2 HIS 7 HD2 HIS 7 10.376 -3.057 3.267 53 HE1 HIS 7 HE1 HIS 7 7.483 -5.653 4.953 54 HE2 HIS 7 HE2 HIS 7 7.875 -3.665 3.466 55 H HIS 8 H HIS 8 13.865 -2.161 4.844 56 HA HIS 8 HA HIS 8 11.930 -0.111 4.104 57 HB2 HIS 8 2HB HIS 8 13.529 1.746 4.662 58 HB3 HIS 8 1HB HIS 8 12.854 0.922 6.060 59 HD1 HIS 8 HD1 HIS 8 16.056 1.600 4.305 60 HD2 HIS 8 HD2 HIS 8 14.711 -0.599 7.559 61 HE1 HIS 8 HE1 HIS 8 18.119 0.956 5.577 62 HE2 HIS 8 HE2 HIS 8 17.273 -0.263 7.606 63 H SER 9 H SER 9 11.982 -0.203 1.974 64 HA SER 9 HA SER 9 14.583 -0.418 0.570 65 HB2 SER 9 2HB SER 9 13.396 -1.691 -1.186 66 HB3 SER 9 1HB SER 9 13.276 -2.498 0.378 67 HG SER 9 HG SER 9 11.301 -1.829 -1.193 68 H HIS 10 H HIS 10 13.865 0.028 -1.998 69 HA HIS 10 HA HIS 10 13.330 2.857 -2.068 70 HB2 HIS 10 2HB HIS 10 13.679 0.874 -4.331 71 HB3 HIS 10 1HB HIS 10 13.645 2.623 -4.510 72 HD1 HIS 10 HD1 HIS 10 15.910 -0.155 -3.990 73 HD2 HIS 10 HD2 HIS 10 15.925 3.919 -3.158 74 HE1 HIS 10 HE1 HIS 10 18.316 0.438 -3.580 75 HE2 HIS 10 HE2 HIS 10 18.316 2.920 -3.188 76 H MET 11 H MET 11 11.067 1.594 -1.024 77 HA MET 11 HA MET 11 9.071 1.269 -3.070 78 HB2 MET 11 2HB MET 11 7.485 1.091 -1.180 79 HB3 MET 11 1HB MET 11 8.865 0.017 -1.007 80 HG2 MET 11 2HG MET 11 9.893 1.728 0.512 81 HG3 MET 11 1HG MET 11 8.358 2.597 0.454 82 HE1 MET 11 3HE MET 11 8.132 2.500 3.090 83 HE2 MET 11 1HE MET 11 9.670 1.642 3.212 84 HE3 MET 11 2HE MET 11 8.240 1.014 4.032 85 H LEU 12 H LEU 12 10.408 3.953 -1.399 86 HA LEU 12 HA LEU 12 8.218 5.739 -1.505 87 HB2 LEU 12 2HB LEU 12 10.186 6.143 -0.109 88 HB3 LEU 12 1HB LEU 12 11.180 6.342 -1.537 89 HG LEU 12 HG LEU 12 9.895 8.358 -2.153 90 HD11 LEU 12 1HD1 LEU 12 8.315 9.347 -0.573 91 HD12 LEU 12 2HD1 LEU 12 8.468 7.938 0.478 92 HD13 LEU 12 3HD1 LEU 12 7.758 7.770 -1.129 93 HD21 LEU 12 3HD2 LEU 12 10.744 9.817 -0.372 94 HD22 LEU 12 1HD2 LEU 12 11.933 8.604 -0.846 95 HD23 LEU 12 2HD2 LEU 12 11.019 8.407 0.651 96 HA PRO 13 HA PRO 13 9.768 7.056 -5.916 97 HB2 PRO 13 2HB PRO 13 11.598 5.472 -7.150 98 HB3 PRO 13 1HB PRO 13 12.056 6.860 -6.156 99 HG2 PRO 13 2HG PRO 13 11.983 3.950 -5.428 100 HG3 PRO 13 1HG PRO 13 13.246 5.152 -5.095 101 HD2 PRO 13 2HD PRO 13 11.434 4.425 -3.228 102 HD3 PRO 13 1HD PRO 13 12.077 6.077 -3.324 103 HA PRO 14 HA PRO 14 7.335 3.849 -7.901 104 HB2 PRO 14 2HB PRO 14 7.541 4.750 -10.551 105 HB3 PRO 14 1HB PRO 14 6.413 5.343 -9.335 106 HG2 PRO 14 2HG PRO 14 8.569 6.767 -10.508 107 HG3 PRO 14 1HG PRO 14 7.541 7.295 -9.167 108 HD2 PRO 14 2HD PRO 14 10.265 6.100 -9.108 109 HD3 PRO 14 1HD PRO 14 9.500 7.237 -7.976 110 H GLU 15 H GLU 15 8.856 2.044 -7.526 111 HA GLU 15 HA GLU 15 9.953 1.060 -10.089 112 HB2 GLU 15 2HB GLU 15 11.529 -0.331 -8.811 113 HB3 GLU 15 1HB GLU 15 11.761 1.380 -8.491 114 HG2 GLU 15 2HG GLU 15 10.798 1.202 -6.332 115 HG3 GLU 15 1HG GLU 15 10.173 -0.412 -6.666 116 H GLN 16 H GLN 16 10.328 -1.649 -8.837 117 HA GLN 16 HA GLN 16 8.007 -2.887 -9.723 118 HB2 GLN 16 2HB GLN 16 10.098 -4.094 -9.486 119 HB3 GLN 16 1HB GLN 16 10.057 -3.892 -7.740 120 HG2 GLN 16 2HG GLN 16 8.059 -5.294 -7.612 121 HG3 GLN 16 1HG GLN 16 8.071 -5.480 -9.365 122 HE21 GLN 16 1HE2 GLN 16 8.260 -7.724 -9.195 123 HE22 GLN 16 2HE2 GLN 16 9.735 -8.483 -8.718 124 H TRP 17 H TRP 17 6.009 -2.627 -8.951 125 HA TRP 17 HA TRP 17 5.601 -2.968 -6.046 126 HB2 TRP 17 2HB TRP 17 4.278 -1.087 -7.970 127 HB3 TRP 17 1HB TRP 17 3.346 -1.704 -6.607 128 HD1 TRP 17 HD TRP 17 6.490 0.423 -7.339 129 HE1 TRP 17 HE1 TRP 17 6.981 1.869 -5.266 130 HE3 TRP 17 HE3 TRP 17 2.973 -1.488 -4.163 131 HZ2 TRP 17 HZ2 TRP 17 5.998 2.167 -2.632 132 HZ3 TRP 17 HZ3 TRP 17 2.814 -0.572 -1.885 133 HH2 TRP 17 HH TRP 17 4.294 1.215 -1.137 134 H SER 18 H SER 18 4.817 -4.897 -5.623 135 HA SER 18 HA SER 18 2.707 -6.036 -7.325 136 HB2 SER 18 2HB SER 18 5.192 -7.539 -6.442 137 HB3 SER 18 1HB SER 18 3.812 -8.252 -7.276 138 HG SER 18 HG SER 18 4.280 -6.660 -8.985 139 H HIS 19 H HIS 19 2.143 -8.325 -6.169 140 HA HIS 19 HA HIS 19 0.466 -7.825 -4.136 141 HB2 HIS 19 2HB HIS 19 0.618 -10.248 -3.527 142 HB3 HIS 19 1HB HIS 19 0.431 -9.943 -5.250 143 HD1 HIS 19 HD1 HIS 19 2.882 -11.253 -2.733 144 HD2 HIS 19 HD2 HIS 19 2.608 -10.715 -6.843 145 HE1 HIS 19 HE1 HIS 19 4.804 -12.536 -3.710 146 HE2 HIS 19 HE2 HIS 19 4.725 -12.037 -6.167 147 H THR 20 H THR 20 3.885 -8.723 -3.605 148 HA THR 20 HA THR 20 3.622 -8.878 -0.764 149 HB THR 20 HB THR 20 6.163 -8.538 -2.380 150 HG1 THR 20 HG1 THR 20 6.162 -10.941 -1.894 151 HG21 THR 20 3HG2 THR 20 6.472 -8.067 0.010 152 HG22 THR 20 1HG2 THR 20 7.251 -9.585 -0.437 153 HG23 THR 20 2HG2 THR 20 5.710 -9.606 0.419 154 H THR 21 H THR 21 5.179 -6.423 -2.877 155 HA THR 21 HA THR 21 5.907 -4.670 -0.788 156 HB THR 21 HB THR 21 6.206 -2.935 -2.489 157 HG1 THR 21 HG1 THR 21 5.152 -2.987 -4.320 158 HG21 THR 21 3HG2 THR 21 7.781 -4.112 -3.964 159 HG22 THR 21 1HG2 THR 21 7.093 -5.658 -3.462 160 HG23 THR 21 2HG2 THR 21 7.943 -4.649 -2.292 161 H VAL 22 H VAL 22 3.002 -4.759 -2.827 162 HA VAL 22 HA VAL 22 1.654 -2.521 -1.868 163 HB VAL 22 HB VAL 22 0.561 -5.202 -2.767 164 HG11 VAL 22 1HG1 VAL 22 -1.614 -4.011 -3.076 165 HG12 VAL 22 2HG1 VAL 22 -0.945 -2.647 -2.180 166 HG13 VAL 22 3HG1 VAL 22 -1.145 -4.209 -1.388 167 HG21 VAL 22 3HG2 VAL 22 0.073 -4.014 -4.860 168 HG22 VAL 22 1HG2 VAL 22 1.791 -3.942 -4.472 169 HG23 VAL 22 2HG2 VAL 22 0.764 -2.536 -4.191 170 H ARG 23 H ARG 23 1.567 -5.848 -0.606 171 HA ARG 23 HA ARG 23 -0.109 -5.315 1.612 172 HB2 ARG 23 2HB ARG 23 0.411 -7.567 0.602 173 HB3 ARG 23 1HB ARG 23 1.983 -7.490 1.385 174 HG2 ARG 23 2HG ARG 23 0.888 -7.405 3.578 175 HG3 ARG 23 1HG ARG 23 -0.690 -7.485 2.788 176 HD2 ARG 23 2HD ARG 23 -0.015 -9.665 1.792 177 HD3 ARG 23 1HD ARG 23 1.480 -9.590 2.725 178 HE ARG 23 HE ARG 23 -1.180 -10.181 3.710 179 HH11 ARG 23 1HH1 ARG 23 2.034 -9.268 4.541 180 HH12 ARG 23 2HH1 ARG 23 1.931 -9.951 6.123 181 HH21 ARG 23 1HH2 ARG 23 -1.305 -11.060 5.719 182 HH22 ARG 23 2HH2 ARG 23 0.055 -10.959 6.782 183 H ASN 24 H ASN 24 3.384 -5.154 1.172 184 HA ASN 24 HA ASN 24 4.078 -4.756 3.895 185 HB2 ASN 24 2HB ASN 24 5.513 -4.068 1.329 186 HB3 ASN 24 1HB ASN 24 6.215 -3.793 2.921 187 HD21 ASN 24 1HD2 ASN 24 7.189 -5.521 0.851 188 HD22 ASN 24 2HD2 ASN 24 7.214 -7.115 1.515 189 H ALA 25 H ALA 25 2.974 -2.544 1.393 190 HA ALA 25 HA ALA 25 3.527 -0.148 2.837 191 HB1 ALA 25 3HB ALA 25 1.385 -0.660 0.763 192 HB2 ALA 25 1HB ALA 25 3.043 -0.162 0.425 193 HB3 ALA 25 2HB ALA 25 1.959 0.920 1.298 194 H LEU 26 H LEU 26 0.807 -2.388 2.763 195 HA LEU 26 HA LEU 26 -1.052 -0.859 4.213 196 HB2 LEU 26 2HB LEU 26 -0.803 -3.868 4.061 197 HB3 LEU 26 1HB LEU 26 -2.221 -2.990 4.607 198 HG LEU 26 HG LEU 26 -1.071 -2.940 1.809 199 HD11 LEU 26 1HD1 LEU 26 -3.128 -4.104 1.182 200 HD12 LEU 26 2HD1 LEU 26 -3.614 -4.168 2.878 201 HD13 LEU 26 3HD1 LEU 26 -2.181 -5.043 2.336 202 HD21 LEU 26 3HD2 LEU 26 -3.517 -1.568 2.933 203 HD22 LEU 26 1HD2 LEU 26 -3.076 -1.642 1.226 204 HD23 LEU 26 2HD2 LEU 26 -2.042 -0.783 2.366 205 H LYS 27 H LYS 27 1.377 -3.208 5.368 206 HA LYS 27 HA LYS 27 0.506 -3.170 8.064 207 HB2 LYS 27 2HB LYS 27 2.703 -4.215 8.603 208 HB3 LYS 27 1HB LYS 27 1.814 -5.031 7.332 209 HG2 LYS 27 2HG LYS 27 4.049 -5.047 6.638 210 HG3 LYS 27 1HG LYS 27 3.282 -3.786 5.684 211 HD2 LYS 27 2HD LYS 27 5.423 -2.985 6.379 212 HD3 LYS 27 1HD LYS 27 4.207 -2.102 7.294 213 HE2 LYS 27 2HE LYS 27 5.706 -4.506 8.345 214 HE3 LYS 27 1HE LYS 27 6.203 -2.840 8.620 215 HZ1 LYS 27 3HZ LYS 27 3.933 -2.519 9.640 216 HZ2 LYS 27 1HZ LYS 27 5.010 -3.490 10.510 217 HZ3 LYS 27 2HZ LYS 27 3.772 -4.202 9.611 218 H ASP 28 H ASP 28 1.999 -0.724 6.331 219 HA ASP 28 HA ASP 28 3.064 0.551 8.767 220 HB2 ASP 28 2HB ASP 28 4.519 0.543 6.750 221 HB3 ASP 28 1HB ASP 28 3.283 1.433 5.869 222 H LEU 29 H LEU 29 0.935 1.264 5.993 223 HA LEU 29 HA LEU 29 -0.050 3.724 6.888 224 HB2 LEU 29 2HB LEU 29 -1.412 1.678 5.132 225 HB3 LEU 29 1HB LEU 29 -1.887 3.359 5.282 226 HG LEU 29 HG LEU 29 0.747 2.377 4.158 227 HD11 LEU 29 1HD1 LEU 29 -1.147 1.876 2.691 228 HD12 LEU 29 2HD1 LEU 29 -0.108 3.123 2.003 229 HD13 LEU 29 3HD1 LEU 29 -1.644 3.567 2.751 230 HD21 LEU 29 3HD2 LEU 29 0.994 4.542 5.240 231 HD22 LEU 29 1HD2 LEU 29 -0.394 5.168 4.349 232 HD23 LEU 29 2HD2 LEU 29 1.079 4.718 3.489 233 H LEU 30 H LEU 30 -1.300 0.449 7.475 234 HA LEU 30 HA LEU 30 -3.766 1.210 8.625 235 HB2 LEU 30 2HB LEU 30 -3.225 -1.042 7.730 236 HB3 LEU 30 1HB LEU 30 -2.181 -1.316 9.110 237 HG LEU 30 HG LEU 30 -4.130 -1.165 10.618 238 HD11 LEU 30 1HD1 LEU 30 -5.523 0.343 9.309 239 HD12 LEU 30 2HD1 LEU 30 -6.399 -1.136 9.694 240 HD13 LEU 30 3HD1 LEU 30 -5.740 -0.900 8.075 241 HD21 LEU 30 3HD2 LEU 30 -4.506 -3.140 8.363 242 HD22 LEU 30 1HD2 LEU 30 -5.171 -3.280 9.991 243 HD23 LEU 30 2HD2 LEU 30 -3.426 -3.344 9.744 244 H LYS 31 H LYS 31 -0.595 1.386 9.905 245 HA LYS 31 HA LYS 31 -1.203 1.160 12.675 246 HB2 LYS 31 2HB LYS 31 1.091 0.960 11.915 247 HB3 LYS 31 1HB LYS 31 1.052 2.578 11.233 248 HG2 LYS 31 2HG LYS 31 2.300 2.573 13.303 249 HG3 LYS 31 1HG LYS 31 0.825 3.521 13.487 250 HD2 LYS 31 2HD LYS 31 -0.248 1.585 14.592 251 HD3 LYS 31 1HD LYS 31 1.264 0.687 14.446 252 HE2 LYS 31 2HE LYS 31 1.048 1.619 16.682 253 HE3 LYS 31 1HE LYS 31 2.394 2.375 15.832 254 HZ1 LYS 31 3HZ LYS 31 0.993 4.290 15.384 255 HZ2 LYS 31 1HZ LYS 31 1.062 3.987 17.046 256 HZ3 LYS 31 2HZ LYS 31 -0.313 3.554 16.168 257 H ASP 32 H ASP 32 -1.290 3.847 10.385 258 HA ASP 32 HA ASP 32 -1.994 5.723 12.526 259 HB2 ASP 32 2HB ASP 32 -0.284 6.450 10.943 260 HB3 ASP 32 1HB ASP 32 -1.385 6.187 9.596 261 H MET 33 H MET 33 -3.362 4.333 9.564 262 HA MET 33 HA MET 33 -5.855 5.834 10.026 263 HB2 MET 33 2HB MET 33 -4.900 4.380 7.552 264 HB3 MET 33 1HB MET 33 -6.405 5.281 7.686 265 HG2 MET 33 2HG MET 33 -5.132 7.335 8.103 266 HG3 MET 33 1HG MET 33 -3.630 6.425 7.936 267 HE1 MET 33 3HE MET 33 -2.834 5.290 5.650 268 HE2 MET 33 1HE MET 33 -3.775 5.342 4.159 269 HE3 MET 33 2HE MET 33 -4.365 4.421 5.542 270 H ASN 34 H ASN 34 -7.845 4.576 9.093 271 HA ASN 34 HA ASN 34 -7.878 1.866 10.280 272 HB2 ASN 34 2HB ASN 34 -10.086 3.912 9.926 273 HB3 ASN 34 1HB ASN 34 -10.377 2.249 10.427 274 HD21 ASN 34 1HD2 ASN 34 -8.080 1.967 12.080 275 HD22 ASN 34 2HD2 ASN 34 -8.333 2.951 13.477 276 H GLN 35 H GLN 35 -9.128 0.220 9.210 277 HA GLN 35 HA GLN 35 -8.757 -0.034 6.460 278 HB2 GLN 35 2HB GLN 35 -10.766 -1.403 8.263 279 HB3 GLN 35 1HB GLN 35 -10.424 -1.904 6.613 280 HG2 GLN 35 2HG GLN 35 -8.142 -2.439 7.194 281 HG3 GLN 35 1HG GLN 35 -8.376 -1.802 8.821 282 HE21 GLN 35 1HE2 GLN 35 -9.164 -4.409 6.636 283 HE22 GLN 35 2HE2 GLN 35 -9.701 -5.512 7.847 284 H SER 36 H SER 36 -11.620 1.088 8.234 285 HA SER 36 HA SER 36 -13.384 1.384 6.086 286 HB2 SER 36 2HB SER 36 -13.183 3.031 8.626 287 HB3 SER 36 1HB SER 36 -14.561 3.042 7.525 288 HG SER 36 HG SER 36 -14.725 1.595 9.389 289 H SER 37 H SER 37 -10.753 3.471 7.144 290 HA SER 37 HA SER 37 -11.453 5.682 5.432 291 HB2 SER 37 2HB SER 37 -10.087 6.083 7.422 292 HB3 SER 37 1HB SER 37 -8.834 5.003 6.816 293 HG SER 37 HG SER 37 -9.415 7.620 6.130 294 H LEU 38 H LEU 38 -8.972 3.128 5.291 295 HA LEU 38 HA LEU 38 -7.797 3.774 2.856 296 HB2 LEU 38 2HB LEU 38 -6.935 2.097 4.453 297 HB3 LEU 38 1HB LEU 38 -8.250 1.019 4.026 298 HG LEU 38 HG LEU 38 -7.362 0.899 1.707 299 HD11 LEU 38 1HD1 LEU 38 -5.070 2.511 2.829 300 HD12 LEU 38 2HD1 LEU 38 -6.220 3.034 1.597 301 HD13 LEU 38 3HD1 LEU 38 -5.096 1.722 1.250 302 HD21 LEU 38 3HD2 LEU 38 -5.402 0.140 3.875 303 HD22 LEU 38 1HD2 LEU 38 -5.427 -0.511 2.236 304 HD23 LEU 38 2HD2 LEU 38 -6.778 -0.819 3.326 305 H ALA 39 H ALA 39 -10.652 1.752 3.487 306 HA ALA 39 HA ALA 39 -11.060 0.859 0.843 307 HB1 ALA 39 3HB ALA 39 -13.266 0.178 1.580 308 HB2 ALA 39 1HB ALA 39 -13.127 1.195 3.017 309 HB3 ALA 39 2HB ALA 39 -12.071 -0.202 2.819 310 H LYS 40 H LYS 40 -11.713 3.928 2.281 311 HA LYS 40 HA LYS 40 -13.638 4.715 0.237 312 HB2 LYS 40 2HB LYS 40 -12.344 6.311 2.466 313 HB3 LYS 40 1HB LYS 40 -13.607 6.909 1.394 314 HG2 LYS 40 2HG LYS 40 -15.164 5.257 2.254 315 HG3 LYS 40 1HG LYS 40 -13.900 4.571 3.279 316 HD2 LYS 40 2HD LYS 40 -13.725 6.749 4.456 317 HD3 LYS 40 1HD LYS 40 -15.054 7.362 3.468 318 HE2 LYS 40 2HE LYS 40 -16.540 5.652 4.394 319 HE3 LYS 40 1HE LYS 40 -15.209 5.004 5.356 320 HZ1 LYS 40 3HZ LYS 40 -15.080 7.130 6.518 321 HZ2 LYS 40 1HZ LYS 40 -16.616 6.440 6.680 322 HZ3 LYS 40 2HZ LYS 40 -16.376 7.724 5.610 323 H GLU 41 H GLU 41 -10.256 5.335 1.091 324 HA GLU 41 HA GLU 41 -9.824 7.274 -0.979 325 HB2 GLU 41 2HB GLU 41 -7.822 5.670 0.631 326 HB3 GLU 41 1HB GLU 41 -7.445 7.072 -0.362 327 HG2 GLU 41 2HG GLU 41 -9.242 7.087 2.062 328 HG3 GLU 41 1HG GLU 41 -7.553 7.587 2.043 329 H CYS 42 H CYS 42 -8.674 3.907 -0.570 330 HA CYS 42 HA CYS 42 -7.850 3.792 -3.367 331 HB2 CYS 42 2HB CYS 42 -6.808 1.683 -2.815 332 HB3 CYS 42 1HB CYS 42 -6.403 2.848 -1.559 333 HG CYS 42 HG CYS 42 -9.059 1.464 -0.437 334 HA PRO 43 HA PRO 43 -11.636 1.868 -4.702 335 HB2 PRO 43 2HB PRO 43 -10.817 0.806 -7.052 336 HB3 PRO 43 1HB PRO 43 -10.990 2.549 -6.811 337 HG2 PRO 43 2HG PRO 43 -8.505 0.859 -6.677 338 HG3 PRO 43 1HG PRO 43 -8.758 2.408 -7.507 339 HD2 PRO 43 2HD PRO 43 -7.558 2.252 -5.087 340 HD3 PRO 43 1HD PRO 43 -8.571 3.635 -5.551 341 H LEU 44 H LEU 44 -9.540 0.167 -3.073 342 HA LEU 44 HA LEU 44 -10.055 -2.506 -4.136 343 HB2 LEU 44 2HB LEU 44 -8.451 -1.668 -1.710 344 HB3 LEU 44 1HB LEU 44 -8.495 -3.273 -2.417 345 HG LEU 44 HG LEU 44 -7.329 -0.790 -3.690 346 HD11 LEU 44 1HD1 LEU 44 -5.203 -1.976 -3.474 347 HD12 LEU 44 2HD1 LEU 44 -6.022 -3.316 -2.672 348 HD13 LEU 44 3HD1 LEU 44 -5.957 -1.733 -1.899 349 HD21 LEU 44 3HD2 LEU 44 -7.484 -3.611 -4.768 350 HD22 LEU 44 1HD2 LEU 44 -6.614 -2.265 -5.507 351 HD23 LEU 44 2HD2 LEU 44 -8.372 -2.215 -5.383 352 H SER 45 H SER 45 -11.703 -3.730 -3.439 353 HA SER 45 HA SER 45 -13.551 -2.952 -1.481 354 HB2 SER 45 2HB SER 45 -14.095 -4.574 -3.254 355 HB3 SER 45 1HB SER 45 -13.013 -5.755 -2.514 356 HG SER 45 HG SER 45 -15.575 -5.282 -1.962 357 H GLN 46 H GLN 46 -13.687 -3.208 0.677 358 HA GLN 46 HA GLN 46 -11.421 -3.691 2.224 359 HB2 GLN 46 2HB GLN 46 -13.515 -2.402 2.856 360 HB3 GLN 46 1HB GLN 46 -14.278 -3.945 3.199 361 HG2 GLN 46 2HG GLN 46 -11.748 -3.035 4.560 362 HG3 GLN 46 1HG GLN 46 -13.354 -2.661 5.175 363 HE21 GLN 46 1HE2 GLN 46 -14.488 -5.228 4.412 364 HE22 GLN 46 2HE2 GLN 46 -13.839 -6.390 5.509 365 H SER 47 H SER 47 -14.012 -5.887 1.265 366 HA SER 47 HA SER 47 -13.645 -8.065 2.903 367 HB2 SER 47 2HB SER 47 -14.145 -8.142 -0.089 368 HB3 SER 47 1HB SER 47 -14.462 -9.463 1.037 369 HG SER 47 HG SER 47 -16.209 -7.804 0.370 370 H MET 48 H MET 48 -11.676 -7.161 0.104 371 HA MET 48 HA MET 48 -9.999 -9.503 0.275 372 HB2 MET 48 2HB MET 48 -9.662 -6.922 -1.272 373 HB3 MET 48 1HB MET 48 -8.606 -8.319 -1.425 374 HG2 MET 48 2HG MET 48 -10.535 -9.661 -2.183 375 HG3 MET 48 1HG MET 48 -11.545 -8.219 -2.091 376 HE1 MET 48 3HE MET 48 -9.926 -5.930 -4.842 377 HE2 MET 48 1HE MET 48 -9.550 -5.953 -3.119 378 HE3 MET 48 2HE MET 48 -11.225 -6.079 -3.659 379 H ILE 49 H ILE 49 -9.684 -6.083 1.170 380 HA ILE 49 HA ILE 49 -7.037 -6.021 1.994 381 HB ILE 49 HB ILE 49 -9.372 -4.549 3.251 382 HG12 ILE 49 2HG1 ILE 49 -7.512 -3.705 1.003 383 HG13 ILE 49 1HG1 ILE 49 -9.187 -4.208 0.802 384 HG21 ILE 49 1HG2 ILE 49 -7.384 -4.485 4.670 385 HG22 ILE 49 2HG2 ILE 49 -7.710 -2.897 3.975 386 HG23 ILE 49 3HG2 ILE 49 -6.419 -3.901 3.312 387 HD11 ILE 49 3HD1 ILE 49 -8.939 -1.783 0.718 388 HD12 ILE 49 1HD1 ILE 49 -8.264 -1.794 2.348 389 HD13 ILE 49 2HD1 ILE 49 -9.937 -2.289 2.082 390 H SER 50 H SER 50 -9.904 -6.756 4.003 391 HA SER 50 HA SER 50 -8.539 -7.246 6.410 392 HB2 SER 50 2HB SER 50 -10.972 -6.893 6.310 393 HB3 SER 50 1HB SER 50 -11.163 -8.437 5.478 394 HG SER 50 HG SER 50 -11.558 -8.709 7.676 395 H SER 51 H SER 51 -9.514 -9.495 3.836 396 HA SER 51 HA SER 51 -8.726 -11.886 5.084 397 HB2 SER 51 2HB SER 51 -10.138 -11.842 3.072 398 HB3 SER 51 1HB SER 51 -8.779 -11.241 2.121 399 HG SER 51 HG SER 51 -7.685 -13.243 2.764 400 H ILE 52 H ILE 52 -6.901 -9.659 3.017 401 HA ILE 52 HA ILE 52 -4.589 -11.339 2.818 402 HB ILE 52 HB ILE 52 -4.897 -8.392 2.195 403 HG12 ILE 52 2HG1 ILE 52 -4.996 -10.815 0.369 404 HG13 ILE 52 1HG1 ILE 52 -6.395 -9.887 0.897 405 HG21 ILE 52 1HG2 ILE 52 -2.879 -8.678 0.806 406 HG22 ILE 52 2HG2 ILE 52 -2.710 -10.327 1.408 407 HG23 ILE 52 3HG2 ILE 52 -2.554 -8.965 2.516 408 HD11 ILE 52 3HD1 ILE 52 -4.126 -8.846 -0.784 409 HD12 ILE 52 1HD1 ILE 52 -5.532 -7.921 -0.256 410 HD13 ILE 52 2HD1 ILE 52 -5.735 -9.285 -1.355 411 H VAL 53 H VAL 53 -5.472 -8.625 4.931 412 HA VAL 53 HA VAL 53 -2.832 -8.340 6.020 413 HB VAL 53 HB VAL 53 -4.441 -6.460 5.982 414 HG11 VAL 53 1HG1 VAL 53 -5.879 -7.941 8.188 415 HG12 VAL 53 2HG1 VAL 53 -6.480 -7.704 6.548 416 HG13 VAL 53 3HG1 VAL 53 -6.247 -6.314 7.607 417 HG21 VAL 53 3HG2 VAL 53 -3.468 -7.210 8.745 418 HG22 VAL 53 1HG2 VAL 53 -3.930 -5.589 8.222 419 HG23 VAL 53 2HG2 VAL 53 -2.532 -6.384 7.500 420 H ASN 54 H ASN 54 -5.740 -10.097 7.043 421 HA ASN 54 HA ASN 54 -4.570 -10.835 9.587 422 HB2 ASN 54 2HB ASN 54 -7.158 -11.568 8.225 423 HB3 ASN 54 1HB ASN 54 -6.648 -12.339 9.724 424 HD21 ASN 54 1HD2 ASN 54 -7.846 -9.451 8.265 425 HD22 ASN 54 2HD2 ASN 54 -8.136 -8.591 9.731 426 H SER 55 H SER 55 -4.587 -12.191 6.402 427 HA SER 55 HA SER 55 -3.634 -14.785 7.432 428 HB2 SER 55 2HB SER 55 -5.376 -14.869 5.684 429 HB3 SER 55 1HB SER 55 -4.315 -13.986 4.587 430 HG SER 55 HG SER 55 -4.426 -16.489 4.660 431 H THR 56 H THR 56 -1.518 -15.226 7.499 432 HA THR 56 HA THR 56 0.404 -13.346 6.419 433 HB THR 56 HB THR 56 2.118 -14.759 7.488 434 HG1 THR 56 HG1 THR 56 1.096 -16.509 8.893 435 HG21 THR 56 3HG2 THR 56 1.407 -14.455 9.818 436 HG22 THR 56 1HG2 THR 56 -0.255 -14.210 9.284 437 HG23 THR 56 2HG2 THR 56 0.995 -13.049 8.837 438 H TYR 57 H TYR 57 -1.016 -16.281 5.350 439 HA TYR 57 HA TYR 57 1.165 -16.757 3.432 440 HB2 TYR 57 2HB TYR 57 0.110 -18.972 3.051 441 HB3 TYR 57 1HB TYR 57 0.611 -18.719 4.716 442 HD1 TYR 57 HD1 TYR 57 -2.266 -19.125 2.466 443 HD2 TYR 57 HD2 TYR 57 -1.044 -18.533 6.504 444 HE1 TYR 57 HE1 TYR 57 -4.515 -19.745 3.235 445 HE2 TYR 57 HE2 TYR 57 -3.294 -19.150 7.279 446 HH TYR 57 HH TYR 57 -5.552 -19.291 6.489 447 H TYR 58 H TYR 58 -2.312 -16.064 3.575 448 HA TYR 58 HA TYR 58 -2.620 -16.312 0.712 449 HB2 TYR 58 2HB TYR 58 -4.484 -16.861 2.232 450 HB3 TYR 58 1HB TYR 58 -4.542 -15.187 2.766 451 HD1 TYR 58 HD1 TYR 58 -4.959 -17.353 -0.235 452 HD2 TYR 58 HD2 TYR 58 -5.866 -13.609 1.588 453 HE1 TYR 58 HE1 TYR 58 -6.542 -16.854 -2.050 454 HE2 TYR 58 HE2 TYR 58 -7.446 -13.103 -0.226 455 HH TYR 58 HH TYR 58 -8.532 -15.441 -2.423 456 H ALA 59 H ALA 59 -1.053 -14.838 -0.038 457 HA ALA 59 HA ALA 59 -1.969 -12.032 0.008 458 HB1 ALA 59 3HB ALA 59 0.058 -12.261 1.365 459 HB2 ALA 59 1HB ALA 59 0.364 -11.297 -0.081 460 HB3 ALA 59 2HB ALA 59 0.903 -12.975 -0.008 461 H ASN 60 H ASN 60 -2.196 -14.484 -1.854 462 HA ASN 60 HA ASN 60 -0.873 -13.743 -4.276 463 HB2 ASN 60 2HB ASN 60 -1.643 -16.057 -3.778 464 HB3 ASN 60 1HB ASN 60 -3.312 -15.506 -3.905 465 HD21 ASN 60 1HD2 ASN 60 -4.108 -14.892 -5.951 466 HD22 ASN 60 2HD2 ASN 60 -3.335 -15.416 -7.402 467 H VAL 61 H VAL 61 -1.335 -11.575 -4.659 468 HA VAL 61 HA VAL 61 -4.148 -10.784 -4.980 469 HB VAL 61 HB VAL 61 -1.694 -9.007 -5.007 470 HG11 VAL 61 1HG1 VAL 61 -3.293 -7.191 -4.584 471 HG12 VAL 61 2HG1 VAL 61 -4.625 -8.345 -4.675 472 HG13 VAL 61 3HG1 VAL 61 -3.643 -8.020 -6.103 473 HG21 VAL 61 3HG2 VAL 61 -2.308 -8.420 -2.685 474 HG22 VAL 61 1HG2 VAL 61 -1.846 -10.115 -2.853 475 HG23 VAL 61 2HG2 VAL 61 -3.547 -9.673 -2.715 476 H SER 62 H SER 62 -5.020 -10.729 -6.950 477 HA SER 62 HA SER 62 -3.784 -11.167 -9.385 478 HB2 SER 62 2HB SER 62 -6.152 -11.377 -9.294 479 HB3 SER 62 1HB SER 62 -6.357 -9.719 -8.728 480 HG SER 62 HG SER 62 -6.306 -10.631 -11.239 481 H ALA 63 H ALA 63 -3.035 -9.914 -11.061 482 HA ALA 63 HA ALA 63 -1.537 -7.641 -10.524 483 HB1 ALA 63 3HB ALA 63 -1.194 -9.072 -12.485 484 HB2 ALA 63 1HB ALA 63 -1.339 -7.373 -12.941 485 HB3 ALA 63 2HB ALA 63 -2.697 -8.471 -13.186 486 H ALA 64 H ALA 64 -4.884 -7.902 -11.583 487 HA ALA 64 HA ALA 64 -5.394 -5.309 -12.437 488 HB1 ALA 64 3HB ALA 64 -7.278 -7.111 -10.911 489 HB2 ALA 64 1HB ALA 64 -6.986 -7.166 -12.650 490 HB3 ALA 64 2HB ALA 64 -7.734 -5.742 -11.927 491 H LYS 65 H LYS 65 -6.306 -6.516 -9.196 492 HA LYS 65 HA LYS 65 -6.660 -3.905 -8.142 493 HB2 LYS 65 2HB LYS 65 -6.745 -5.166 -5.908 494 HB3 LYS 65 1HB LYS 65 -7.964 -5.542 -7.115 495 HG2 LYS 65 2HG LYS 65 -6.651 -7.538 -7.771 496 HG3 LYS 65 1HG LYS 65 -5.513 -7.177 -6.472 497 HD2 LYS 65 2HD LYS 65 -7.260 -7.452 -4.812 498 HD3 LYS 65 1HD LYS 65 -8.469 -7.676 -6.077 499 HE2 LYS 65 2HE LYS 65 -7.299 -9.726 -6.797 500 HE3 LYS 65 1HE LYS 65 -6.133 -9.503 -5.494 501 HZ1 LYS 65 3HZ LYS 65 -7.894 -11.089 -4.928 502 HZ2 LYS 65 1HZ LYS 65 -9.055 -9.876 -5.104 503 HZ3 LYS 65 2HZ LYS 65 -7.890 -9.761 -3.887 504 H CYS 66 H CYS 66 -3.859 -6.026 -8.250 505 HA CYS 66 HA CYS 66 -2.233 -4.794 -6.331 506 HB2 CYS 66 2HB CYS 66 -1.498 -6.048 -8.986 507 HB3 CYS 66 1HB CYS 66 -0.295 -5.471 -7.839 508 HG CYS 66 HG CYS 66 -1.918 -8.339 -7.905 509 H GLN 67 H GLN 67 -2.379 -4.060 -9.830 510 HA GLN 67 HA GLN 67 -0.784 -1.708 -9.574 511 HB2 GLN 67 2HB GLN 67 -2.515 -2.695 -11.847 512 HB3 GLN 67 1HB GLN 67 -1.440 -1.305 -11.955 513 HG2 GLN 67 2HG GLN 67 0.471 -2.780 -11.413 514 HG3 GLN 67 1HG GLN 67 -0.627 -4.158 -11.409 515 HE21 GLN 67 1HE2 GLN 67 0.492 -5.165 -13.074 516 HE22 GLN 67 2HE2 GLN 67 0.412 -4.607 -14.705 517 H GLU 68 H GLU 68 -4.186 -2.299 -9.181 518 HA GLU 68 HA GLU 68 -5.044 0.391 -9.503 519 HB2 GLU 68 2HB GLU 68 -6.216 -1.908 -7.939 520 HB3 GLU 68 1HB GLU 68 -6.963 -0.314 -7.981 521 HG2 GLU 68 2HG GLU 68 -6.911 -0.563 -10.534 522 HG3 GLU 68 1HG GLU 68 -6.591 -2.269 -10.228 523 H PHE 69 H PHE 69 -3.879 -1.424 -6.660 524 HA PHE 69 HA PHE 69 -3.924 0.843 -4.920 525 HB2 PHE 69 2HB PHE 69 -3.778 -1.483 -4.076 526 HB3 PHE 69 1HB PHE 69 -2.173 -1.633 -4.782 527 HD1 PHE 69 HD1 PHE 69 -4.153 -0.110 -2.087 528 HD2 PHE 69 HD2 PHE 69 -0.251 -0.567 -3.743 529 HE1 PHE 69 HE1 PHE 69 -3.166 0.771 -0.011 530 HE2 PHE 69 HE2 PHE 69 0.736 0.314 -1.668 531 HZ PHE 69 HZ PHE 69 -0.722 0.984 0.199 532 H GLY 70 H GLY 70 -1.540 -0.555 -7.117 533 HA2 GLY 70 2HA GLY 70 0.695 0.991 -6.535 534 HA3 GLY 70 1HA GLY 70 0.315 0.345 -8.123 535 H ARG 71 H ARG 71 -1.809 1.743 -8.996 536 HA ARG 71 HA ARG 71 -0.753 4.248 -9.715 537 HB2 ARG 71 2HB ARG 71 -2.980 4.709 -10.698 538 HB3 ARG 71 1HB ARG 71 -2.347 3.135 -11.153 539 HG2 ARG 71 2HG ARG 71 -3.821 2.049 -9.548 540 HG3 ARG 71 1HG ARG 71 -4.415 3.620 -9.010 541 HD2 ARG 71 2HD ARG 71 -5.389 4.054 -11.170 542 HD3 ARG 71 1HD ARG 71 -4.669 2.590 -11.838 543 HE ARG 71 HE ARG 71 -6.216 1.698 -9.779 544 HH11 ARG 71 1HH1 ARG 71 -6.834 3.687 -12.511 545 HH12 ARG 71 2HH1 ARG 71 -8.455 3.122 -12.698 546 HH21 ARG 71 1HH2 ARG 71 -8.316 0.948 -10.045 547 HH22 ARG 71 2HH2 ARG 71 -9.274 1.584 -11.335 548 H TRP 72 H TRP 72 -3.049 3.350 -7.176 549 HA TRP 72 HA TRP 72 -3.797 5.983 -6.429 550 HB2 TRP 72 2HB TRP 72 -5.137 4.064 -5.744 551 HB3 TRP 72 1HB TRP 72 -3.789 3.419 -4.810 552 HD1 TRP 72 HD TRP 72 -6.196 6.457 -4.782 553 HE1 TRP 72 HE1 TRP 72 -6.444 7.260 -2.351 554 HE3 TRP 72 HE3 TRP 72 -2.810 3.346 -2.554 555 HZ2 TRP 72 HZ2 TRP 72 -5.351 6.649 0.182 556 HZ3 TRP 72 HZ3 TRP 72 -2.467 3.521 -0.125 557 HH2 TRP 72 HH TRP 72 -3.710 5.140 1.218 558 H TYR 73 H TYR 73 -1.530 3.722 -4.836 559 HA TYR 73 HA TYR 73 -0.496 5.560 -2.981 560 HB2 TYR 73 2HB TYR 73 -0.285 3.020 -2.954 561 HB3 TYR 73 1HB TYR 73 1.021 3.201 -4.118 562 HD1 TYR 73 HD1 TYR 73 -0.004 3.731 -0.630 563 HD2 TYR 73 HD2 TYR 73 3.183 4.103 -3.431 564 HE1 TYR 73 HE1 TYR 73 1.582 4.062 1.222 565 HE2 TYR 73 HE2 TYR 73 4.775 4.437 -1.588 566 HH TYR 73 HH TYR 73 3.988 3.821 1.668 567 H LYS 74 H LYS 74 0.390 4.882 -6.314 568 HA LYS 74 HA LYS 74 2.773 6.416 -6.412 569 HB2 LYS 74 2HB LYS 74 2.089 4.804 -8.170 570 HB3 LYS 74 1HB LYS 74 0.779 5.882 -8.634 571 HG2 LYS 74 2HG LYS 74 2.487 7.618 -9.179 572 HG3 LYS 74 1HG LYS 74 3.742 6.421 -8.852 573 HD2 LYS 74 2HD LYS 74 3.340 6.528 -11.233 574 HD3 LYS 74 1HD LYS 74 2.767 4.975 -10.619 575 HE2 LYS 74 2HE LYS 74 0.480 5.767 -10.642 576 HE3 LYS 74 1HE LYS 74 1.004 7.381 -11.119 577 HZ1 LYS 74 3HZ LYS 74 0.189 6.162 -13.016 578 HZ2 LYS 74 1HZ LYS 74 1.284 4.905 -12.736 579 HZ3 LYS 74 2HZ LYS 74 1.846 6.432 -13.189 580 H HIS 75 H HIS 75 -0.592 7.242 -7.267 581 HA HIS 75 HA HIS 75 -0.229 9.950 -7.853 582 HB2 HIS 75 2HB HIS 75 -2.305 8.735 -8.339 583 HB3 HIS 75 1HB HIS 75 -2.628 8.561 -6.619 584 HD1 HIS 75 HD1 HIS 75 -4.329 10.163 -5.828 585 HD2 HIS 75 HD2 HIS 75 -2.095 11.727 -8.965 586 HE1 HIS 75 HE1 HIS 75 -5.303 12.428 -6.288 587 HE2 HIS 75 HE2 HIS 75 -3.822 13.422 -8.052 588 H PHE 76 H PHE 76 -0.799 8.338 -4.754 589 HA PHE 76 HA PHE 76 -1.037 10.622 -3.129 590 HB2 PHE 76 2HB PHE 76 -1.718 8.408 -2.367 591 HB3 PHE 76 1HB PHE 76 -0.054 7.840 -2.441 592 HD1 PHE 76 HD2 PHE 76 -2.277 10.271 -0.721 593 HD2 PHE 76 HD1 PHE 76 1.370 8.073 -0.589 594 HE1 PHE 76 HE2 PHE 76 -1.946 10.963 1.617 595 HE2 PHE 76 HE1 PHE 76 1.706 8.765 1.746 596 HZ PHE 76 HZ PHE 76 0.048 10.210 2.852 597 H LYS 77 H LYS 77 1.859 8.525 -3.604 598 HA LYS 77 HA LYS 77 3.610 10.094 -2.080 599 HB2 LYS 77 2HB LYS 77 5.443 8.929 -3.206 600 HB3 LYS 77 1HB LYS 77 4.162 7.805 -2.772 601 HG2 LYS 77 2HG LYS 77 3.386 7.731 -5.057 602 HG3 LYS 77 1HG LYS 77 4.541 8.979 -5.526 603 HD2 LYS 77 2HD LYS 77 5.329 6.758 -6.183 604 HD3 LYS 77 1HD LYS 77 6.398 7.481 -4.981 605 HE2 LYS 77 2HE LYS 77 5.291 6.137 -3.225 606 HE3 LYS 77 1HE LYS 77 4.272 5.395 -4.459 607 HZ1 LYS 77 3HZ LYS 77 6.187 4.413 -5.467 608 HZ2 LYS 77 1HZ LYS 77 6.220 4.036 -3.820 609 HZ3 LYS 77 2HZ LYS 77 7.237 5.237 -4.434 610 H LYS 78 H LYS 78 2.762 10.312 -5.514 611 HA LYS 78 HA LYS 78 4.700 12.303 -6.152 612 HB2 LYS 78 2HB LYS 78 2.185 11.446 -7.593 613 HB3 LYS 78 1HB LYS 78 3.342 12.602 -8.244 614 HG2 LYS 78 2HG LYS 78 5.093 10.869 -8.151 615 HG3 LYS 78 1HG LYS 78 3.899 9.714 -7.559 616 HD2 LYS 78 2HD LYS 78 4.230 9.415 -9.943 617 HD3 LYS 78 1HD LYS 78 2.601 10.017 -9.635 618 HE2 LYS 78 2HE LYS 78 3.618 11.141 -11.555 619 HE3 LYS 78 1HE LYS 78 3.316 12.279 -10.243 620 HZ1 LYS 78 3HZ LYS 78 5.937 11.028 -10.869 621 HZ2 LYS 78 1HZ LYS 78 5.647 12.145 -9.636 622 HZ3 LYS 78 2HZ LYS 78 5.490 12.608 -11.251 623 H THR 79 H THR 79 1.606 12.470 -4.631 624 HA THR 79 HA THR 79 0.857 15.118 -5.252 625 HB THR 79 HB THR 79 0.361 13.598 -2.671 626 HG1 THR 79 HG1 THR 79 -0.500 12.972 -4.985 627 HG21 THR 79 3HG2 THR 79 -1.505 15.136 -2.317 628 HG22 THR 79 1HG2 THR 79 -1.076 16.019 -3.785 629 HG23 THR 79 2HG2 THR 79 0.014 16.027 -2.400 630 H LYS 80 H LYS 80 3.145 13.836 -2.894 631 HA LYS 80 HA LYS 80 3.804 16.581 -2.024 632 HB2 LYS 80 2HB LYS 80 4.474 13.938 -0.708 633 HB3 LYS 80 1HB LYS 80 4.925 15.524 -0.096 634 HG2 LYS 80 2HG LYS 80 2.464 16.064 0.017 635 HG3 LYS 80 1HG LYS 80 2.155 14.362 -0.333 636 HD2 LYS 80 2HD LYS 80 2.064 14.766 2.070 637 HD3 LYS 80 1HD LYS 80 3.438 13.731 1.676 638 HE2 LYS 80 2HE LYS 80 4.940 15.660 1.803 639 HE3 LYS 80 1HE LYS 80 3.569 16.709 2.158 640 HZ1 LYS 80 3HZ LYS 80 3.217 15.538 4.214 641 HZ2 LYS 80 1HZ LYS 80 4.814 16.085 4.142 642 HZ3 LYS 80 2HZ LYS 80 4.469 14.454 3.867 643 H ASP 81 H ASP 81 4.805 14.582 -4.343 644 HA ASP 81 HA ASP 81 7.679 14.880 -3.940 645 HB2 ASP 81 2HB ASP 81 6.949 12.779 -4.892 646 HB3 ASP 81 1HB ASP 81 6.064 13.611 -6.167 647 H MET 82 H MET 82 8.958 16.339 -4.978 648 HA MET 82 HA MET 82 9.585 18.224 -6.072 649 HB2 MET 82 2HB MET 82 7.142 17.754 -7.799 650 HB3 MET 82 1HB MET 82 8.444 18.881 -8.155 651 HG2 MET 82 2HG MET 82 8.683 15.883 -7.971 652 HG3 MET 82 1HG MET 82 8.692 16.849 -9.446 653 HE1 MET 82 3HE MET 82 10.508 19.374 -8.602 654 HE2 MET 82 1HE MET 82 10.587 18.500 -10.132 655 HE3 MET 82 2HE MET 82 12.057 18.786 -9.202 656 H MET 83 H MET 83 8.992 20.538 -6.435 657 HA MET 83 HA MET 83 6.875 21.343 -4.532 658 HB2 MET 83 2HB MET 83 9.429 22.791 -5.278 659 HB3 MET 83 1HB MET 83 8.221 23.380 -4.143 660 HG2 MET 83 2HG MET 83 8.656 21.500 -2.668 661 HG3 MET 83 1HG MET 83 9.810 20.837 -3.821 662 HE1 MET 83 3HE MET 83 12.036 22.057 -0.806 663 HE2 MET 83 1HE MET 83 11.581 20.677 -1.807 664 HE3 MET 83 2HE MET 83 10.407 21.392 -0.701
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